| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.1 | Very low | 53 | Low | 245 Ų | 245 | 141.1 Ų | 141.1 | 100% | 1.207 | 83% | 0.827 | S | S | * | * | 0 | 110.9 | 0 | -72.2 | 134.9 | 138.3 | 0 | 0 | 107.9 | |||||
| 2 | K | 57.8 | Low | 53.1 | Low | 201 Ų | 201 | 137.9 Ų | 137.9 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 128.1 | 176.3 | -73.2 | 172.3 | 174.7 | 174.3 | 0 | 107.9 | ||
| 3 | P | 64.6 | Low | 52.7 | Low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 132 | 175.3 | 29.3 | -31.2 | 0 | 0 | 0 | 109.8 | ||
| 4 | M | 57.8 | Low | 52.8 | Low | 180 Ų | 180 | 138.2 Ų | 138.2 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 120.6 | 174.8 | -66.4 | 177.4 | 124.4 | 0 | 0 | 109 | T6 | M4-T6 PolarHBondContact O-N 3.11Š|
| 5 | A | 53.7 | Low | 53.3 | Low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -67.1 | 113.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 6 | T | 64.8 | Low | 53.6 | Low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -83.8 | 118.5 | 172.4 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | M4 G8 | M4-T6 PolarHBondContact O-N 3.11Å; T6-G8 PolarHBondContact O-N 3.42Å | ||
| 7 | N | 44.3 | Very low | 53.7 | Low | 169 Ų | 169 | 130.6 Ų | 130.6 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -60.7 | 95.8 | 173.3 | -77.6 | -47.3 | 0 | 0 | 0 | 111.2 | M9 | N7-M9 PolarHBondContact O-N 2.77Š| ||
| 8 | G | 41.6 | Very low | 54 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -79.7 | 102 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | T6 A10 | T6-G8 PolarHBondContact O-N 3.42Å; G8-A10 PolarHBondContact O-N 2.82Å | ||
| 9 | M | 49.3 | Very low | 54.4 | Low | 146 Ų | 146 | 125.5 Ų | 125.5 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | trans | -64.2 | 105.1 | 170.4 | -155.1 | 88.3 | 159.6 | 0 | 0 | 109.3 | N7 | N7-M9 PolarHBondContact O-N 2.77Š| ||
| 10 | A | 46.9 | Very low | 54.8 | Low | 84 Ų | 84 | 125.2 Ų | 125.2 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | trans | -57.1 | 137.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G8 | G8-A10 PolarHBondContact O-N 2.82Š| ||
| 11 | P | 53.1 | Low | 55.2 | Low | 100 Ų | 100 | 124.8 Ų | 124.8 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -70.4 | 134.2 | 173.6 | 29.6 | -30.8 | 0 | 0 | 0 | 109.2 | F13 | P11-F13 HydrophobicContact CG-CE2 4.26Å; P11-F13 WeakPolarHBondContact O-CD2 3.21Å; P11-F13 PolarHBondContact O-N 2.79Å | ||
| 12 | S | 54.1 | Low | 55.9 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -58.4 | 98.1 | 177.2 | -44.9 | 0 | 0 | 0 | 0 | 110.6 | F14 | S12-F14 VanDerWaalsContact C-N 3.33Å; S12-F14 PolarHBondContact O-N 3.05Å | ||
| 13 | F | 48 | Very low | 56.1 | Low | 195 Ų | 195 | 111.5 Ų | 111.5 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | trans | -70.7 | 92.2 | 166.3 | -84.7 | -91.2 | 0 | 0 | 0 | 108.1 | P11 A15 | P11-F13 HydrophobicContact CG-CE2 4.26Å; P11-F13 WeakPolarHBondContact O-CD2 3.21Å; P11-F13 PolarHBondContact O-N 2.79Å; F13-A15 PolarHBondContact O-N 2.86Å | ||
| 14 | F | 54.7 | Low | 55.7 | Low | 85 Ų | 85 | 111 Ų | 111 | 37% | 0.373 | 64% | 0.64 | S | S | . | * | trans | -66.2 | 117.7 | 164.6 | -83.3 | -85.3 | 0 | 0 | 0 | 108.1 | S12 A16 F18 N166 A169 | S12-F14 VanDerWaalsContact C-N 3.33Å; S12-F14 PolarHBondContact O-N 3.05Å; F14-A16 PolarHBondContact O-N 3.06Å; F14-F18 HydrophobicContact CD1-CD1 4.1Å; F14-N166 WeakPolarHBondContact CE2-OD1 3.39Å; F14-N166 WeakPolarHBondContact CZ-OD1 3.43Å; F14-A169 HydrophobicContact CE1-CB 3.62Å; F14-A169 HydrophobicContact CZ-CB 4.14Å | ||
| 15 | A | 59.8 | Low | 55.6 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | trans | -54 | 130.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F13 N17 F18 | F13-A15 PolarHBondContact O-N 2.86Å; A15-N17 PolarHBondContact O-N 3.44Å; A15-F18 WeakPolarHBondContact O-CB 3.34Å; A15-F18 PolarHBondContact O-N 3.44Å | ||
| 16 | A | 57.7 | Low | 55.7 | Low | 85 Ų | 85 | 109 Ų | 109 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -52.7 | -26.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F14 F18 L19 L20 | F14-A16 PolarHBondContact O-N 3.06Å; A16-F18 VanDerWaalsContact C-N 3.29Å; A16-F18 PolarHBondContact O-N 3.49Å; A16-L19 PolarHBondContact O-N 3.28Å; A16-L20 PolarHBondContact O-N 3.47Å |
| 17 | N | 56.4 | Low | 55.2 | Low | 129 Ų | 129 | 108.8 Ų | 108.8 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.3 | -30.8 | 174.8 | -84.4 | -45.6 | 0 | 0 | 0 | 113.9 | A15 L19 L20 Q21 | A15-N17 PolarHBondContact O-N 3.44Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.21Å; N17-L20 PolarHBondContact O-N 2.99Å; N17-Q21 PolarHBondContact O-N 3.43Å |
| 18 | F | 58.9 | Low | 55.7 | Low | 60 Ų | 60 | 103.7 Ų | 103.7 | 26% | 0.263 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.2 | -33.8 | 179.4 | -176.9 | -101.8 | 0 | 0 | 0 | 112.5 | F14 A15 A16 M22 Q165 A169 | F14-F18 HydrophobicContact CD1-CD1 4.1Å; A15-F18 WeakPolarHBondContact O-CB 3.34Å; A15-F18 PolarHBondContact O-N 3.44Å; A16-F18 VanDerWaalsContact C-N 3.29Å; A16-F18 PolarHBondContact O-N 3.49Å; F18-M22 HydrophobicContact CE1-CG 4.25Å; F18-M22 HydrophobicContact CZ-CG 4.32Å; F18-M22 WeakPolarHBondContact O-CG 3.5Å; F18-M22 PolarHBondContact O-N 2.87Å; F18-Q165 HydrophobicContact CE1-CG 4.38Å; F18-A169 HydrophobicContact CE1-CB 4.2Å; F18-A169 HydrophobicContact CE2-CB 4.44Å; F18-A169 HydrophobicContact CZ-CB 3.82Å |
| 19 | L | 60.3 | Low | 56.2 | Low | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.8 | -33.2 | 179.5 | -126.5 | 140.6 | 0 | 0 | 0 | 111.5 | A16 N17 Q23 | A16-L19 PolarHBondContact O-N 3.28Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.21Å; L19-Q23 PolarHBondContact O-N 3.4Å; L19-Q23 VanDerWaalsContact O-N 3.17Å |
| 20 | L | 63.6 | Low | 56.6 | Low | 120 Ų | 120 | 105.9 Ų | 105.9 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.3 | -42.8 | 178.5 | -159.4 | 67.5 | 0 | 0 | 0 | 112 | A16 N17 M22 Q23 Q24 | A16-L20 PolarHBondContact O-N 3.47Å; N17-L20 PolarHBondContact O-N 2.99Å; L20-M22 VanDerWaalsContact C-N 3.34Å; L20-M22 PolarHBondContact O-N 3.48Å; L20-Q23 WeakPolarHBondContact O-CB 3.36Å; L20-Q23 PolarHBondContact O-N 2.9Å; L20-Q24 PolarHBondContact O-N 2.96Å; L20-Q24 VanDerWaalsContact O-N 3.14Å |
| 21 | Q | 63.3 | Low | 57 | Low | 116 Ų | 116 | 110 Ų | 110 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63 | -40.6 | 176.2 | -165.3 | 83.3 | 57.9 | 0 | 0 | 111.9 | N17 Q23 Q24 E25 | N17-Q21 PolarHBondContact O-N 3.43Å; Q21-Q23 VanDerWaalsContact C-N 3.31Å; Q21-Q23 PolarHBondContact O-N 3.01Å; Q21-Q24 PolarHBondContact O-N 3.29Å; Q21-E25 PolarHBondContact O-N 3.42Å; Q21-E25 VanDerWaalsContact O-N 3.09Å |
| 22 | M | 63.6 | Low | 57 | Low | 48 Ų | 48 | 113.3 Ų | 113.3 | 24% | 0.236 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -65.5 | -31.7 | 177.1 | -83.5 | -70.8 | -46.3 | 0 | 0 | 112.9 | F18 L20 | F18-M22 HydrophobicContact CE1-CG 4.25Å; F18-M22 HydrophobicContact CZ-CG 4.32Å; F18-M22 WeakPolarHBondContact O-CG 3.5Å; F18-M22 PolarHBondContact O-N 2.87Å; L20-M22 VanDerWaalsContact C-N 3.34Å; L20-M22 PolarHBondContact O-N 3.48Å |
| 23 | Q | 62.1 | Low | 57.1 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.9 | -37.6 | 174.1 | -163.9 | 88.9 | 33 | 0 | 0 | 110.8 | L19 L20 Q21 Q26 Q27 | L19-Q23 PolarHBondContact O-N 3.4Å; L19-Q23 VanDerWaalsContact O-N 3.17Å; L20-Q23 WeakPolarHBondContact O-CB 3.36Å; L20-Q23 PolarHBondContact O-N 2.9Å; Q21-Q23 VanDerWaalsContact C-N 3.31Å; Q21-Q23 PolarHBondContact O-N 3.01Å; Q23-Q26 PolarHBondContact O-N 2.85Å; Q23-Q27 PolarHBondContact O-N 2.86Å |
| 24 | Q | 55.2 | Low | 57.2 | Low | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.4 | -39.3 | -176 | -159.9 | 170.6 | 30.3 | 0 | 0 | 112.9 | L20 Q21 Q26 Q27 A28 | L20-Q24 PolarHBondContact O-N 2.96Å; L20-Q24 VanDerWaalsContact O-N 3.14Å; Q21-Q24 PolarHBondContact O-N 3.29Å; Q24-Q26 PolarHBondContact O-N 3.35Å; Q24-Q27 PolarHBondContact O-N 3.06Å; Q24-A28 PolarHBondContact O-N 2.65Å |
| 25 | E | 56.1 | Low | 56.9 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.9 | -26.3 | 174.4 | -78.2 | -172.7 | 132.4 | 0 | 0 | 112.9 | Q21 | Q21-E25 PolarHBondContact O-N 3.42Å; Q21-E25 VanDerWaalsContact O-N 3.09Å |
| 26 | Q | 57 | Low | 56.1 | Low | 124 Ų | 124 | 125.2 Ų | 125.2 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73 | -34.1 | 173.3 | -71.1 | -144.1 | 23.7 | 0 | 0 | 112.8 | Q23 Q24 | Q23-Q26 PolarHBondContact O-N 2.85Å; Q24-Q26 PolarHBondContact O-N 3.35Å |
| 27 | Q | 53.8 | Low | 55.6 | Low | 124 Ų | 124 | 124.9 Ų | 124.9 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.6 | -36.9 | 176.5 | -73.1 | 178.2 | -20.1 | 0 | 0 | 112 | Q23 Q24 H29 H30 Q31 | Q23-Q27 PolarHBondContact O-N 2.86Å; Q24-Q27 PolarHBondContact O-N 3.06Å; Q27-H29 PolarHBondContact O-N 3.39Å; Q27-H30 PolarHBondContact O-N 3.42Å; Q27-Q31 PolarHBondContact O-N 3.25Å |
| 28 | A | 55.2 | Low | 55.2 | Low | 62 Ų | 62 | 127 Ų | 127 | 51% | 0.512 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.1 | -37.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q24 | Q24-A28 PolarHBondContact O-N 2.65Å |
| 29 | H | 52.3 | Low | 54.6 | Low | 115 Ų | 115 | 130.6 Ų | 130.6 | 53% | 0.532 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -76.2 | -28.7 | 177.6 | -86.6 | -70.1 | 0 | 0 | 0 | 114 | Q27 H32 | Q27-H29 PolarHBondContact O-N 3.39Å; H29-H32 PolarHBondContact O-N 3.27Å |
| 30 | H | 56.7 | Low | 54.1 | Low | 145 Ų | 145 | 133.4 Ų | 133.4 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.5 | -28.5 | 176.3 | -105.3 | 81 | 0 | 0 | 0 | 112.8 | Q27 H32 | Q27-H30 PolarHBondContact O-N 3.42Å; H30-H32 VanDerWaalsContact C-N 3.33Å |
| 31 | Q | 55.1 | Low | 53.3 | Low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.5 | -19.1 | 176.5 | -71 | -150.3 | 9.2 | 0 | 0 | 113.8 | Q27 | Q27-Q31 PolarHBondContact O-N 3.25Å |
| 32 | H | 54 | Low | 52.5 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.787 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -1.3 | -176.9 | -120 | 76.5 | 0 | 0 | 0 | 114.9 | H29 H30 | H29-H32 PolarHBondContact O-N 3.27Å; H30-H32 VanDerWaalsContact C-N 3.33Å |
| 33 | Q | 55.2 | Low | 52.3 | Low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 7.9 | -176.3 | -69.2 | -166.7 | 15.3 | 0 | 0 | 115.4 | ||
| 34 | H | 51.5 | Low | 52.6 | Low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -112.3 | 18.9 | -176.2 | -84.8 | -67.1 | 0 | 0 | 0 | 116.1 | ||
| 35 | H | 47.2 | Very low | 53.4 | Low | 167 Ų | 167 | 141 Ų | 141 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -139.4 | 44.4 | -171.5 | -124.8 | -50.9 | 0 | 0 | 0 | 116.8 | ||||
| 36 | E | 43.9 | Very low | 54.2 | Low | 205 Ų | 205 | 141.3 Ų | 141.3 | 96% | 0.958 | 75% | 0.75 | S | S | * | * | trans | -141.5 | 120.9 | 159.2 | -68.8 | -156.2 | 146 | 0 | 0 | 111.1 | ||||
| 37 | G | 46.5 | Very low | 54.8 | Low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 147.7 | 57.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 38 | H | 47.2 | Very low | 54.7 | Low | 173 Ų | 173 | 139.8 Ų | 139.8 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -78.2 | 120.8 | 160.3 | -89.9 | 26.2 | 0 | 0 | 0 | 108.3 | ||||
| 39 | D | 46.4 | Very low | 54.7 | Low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -158.2 | 115.3 | 143 | -93.2 | -45.7 | 0 | 0 | 0 | 109 | ||||
| 40 | H | 50 | Low | 55 | Low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 42 | 108.4 | 150.3 | -54 | -65.8 | 0 | 0 | 0 | 119 | ||||
| 41 | L | 47.6 | Very low | 55 | Low | 172 Ų | 172 | 144.3 Ų | 144.3 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | 171.9 | 128.3 | 112.3 | -84.7 | 175.1 | 0 | 0 | 0 | 111 | A43 | L41-A43 PolarHBondContact O-N 3.03Š| |||
| 42 | L | 45.6 | Very low | 55 | Low | 183 Ų | 183 | 141.4 Ų | 141.4 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 114.8 | 178.1 | -165.9 | 74.7 | 0 | 0 | 0 | 110.3 | ||||
| 43 | A | 60.8 | Low | 55.1 | Low | 88 Ų | 88 | 142.7 Ų | 142.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -141.5 | 136.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L41 | L41-A43 PolarHBondContact O-N 3.03Š| ||
| 44 | P | 68.2 | Low | 54.7 | Low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81 | 163.4 | -164.2 | 32.9 | -36.8 | 0 | 0 | 0 | 114.5 | ||
| 45 | P | 72 | Confident | 54.7 | Low | 120 Ų | 120 | 142.8 Ų | 142.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 152.8 | -179.6 | 30.1 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 46 | P | 73.2 | Confident | 54.7 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 146.7 | -179.9 | 29.3 | -34.2 | 0 | 0 | 0 | 112.6 | ||
| 47 | P | 68.6 | Low | 54.8 | Low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 142.2 | 178.7 | 30 | -33.4 | 0 | 0 | 0 | 112.6 | L49 | P47-L49 PolarHBondContact O-N 3.44Š|
| 48 | A | 50.9 | Low | 54.6 | Low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 49 | L | 56.6 | Low | 54.3 | Low | 173 Ų | 173 | 135.8 Ų | 135.8 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 116.1 | 163.7 | -76.6 | 176.3 | 0 | 0 | 0 | 109.9 | P47 | P47-L49 PolarHBondContact O-N 3.44Š|
| 50 | V | 57.6 | Low | 54.4 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 130.4 | 171.9 | -177 | 0 | 0 | 0 | 0 | 109.1 | ||
| 51 | S | 56.6 | Low | 54.7 | Low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -126.4 | 121.6 | 157.2 | -79.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 52 | P | 55.2 | Low | 54.9 | Low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -94.1 | 117.4 | 178.8 | 33.9 | -26.1 | 0 | 0 | 0 | 109.7 | ||||
| 53 | F | 56 | Low | 55.5 | Low | 196 Ų | 196 | 129 Ų | 129 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -144.5 | 94.1 | 154.1 | -130.6 | -90.1 | 0 | 0 | 0 | 108.5 | ||||
| 54 | L | 48 | Very low | 55.9 | Low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -54.6 | 130.3 | 158.2 | -99.8 | 155.2 | 0 | 0 | 0 | 108.3 | ||||
| 55 | H | 51.1 | Low | 56.1 | Low | 179 Ų | 179 | 130.1 Ų | 130.1 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -157.6 | 117.9 | 131.1 | -102.4 | -78.8 | 0 | 0 | 0 | 109.4 | ||||
| 56 | D | 45.9 | Very low | 56.2 | Low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -53.2 | 131.1 | 170.9 | -179.9 | 44.1 | 0 | 0 | 0 | 112.4 | ||||
| 57 | F | 46.4 | Very low | 56.2 | Low | 209 Ų | 209 | 129.8 Ų | 129.8 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -154.5 | 94.9 | 152.6 | -111.5 | -79.2 | 0 | 0 | 0 | 108.4 | ||||
| 58 | G | 42.4 | Very low | 55.6 | Low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 140.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 59 | G | 42.2 | Very low | 55.7 | Low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -178.6 | 80.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M61 | G59-M61 PolarHBondContact O-N 3.13Š| ||
| 60 | A | 46.9 | Very low | 55.2 | Low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -60 | 124.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 61 | M | 56.2 | Low | 55.2 | Low | 177 Ų | 177 | 132.2 Ų | 132.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -145.7 | 91.4 | 162.9 | -47.3 | -81.6 | 174.6 | 0 | 0 | 107.4 | G59 A63 | G59-M61 PolarHBondContact O-N 3.13Å; M61-A63 PolarHBondContact O-N 2.94Å | ||
| 62 | T | 53.5 | Low | 54.7 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.6 | 166.8 | 42.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 63 | A | 56.5 | Low | 54.6 | Low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86 | 133 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | M61 | M61-A63 PolarHBondContact O-N 2.94Š|
| 64 | P | 70.2 | Confident | 54.5 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 153.4 | 179.3 | 32.5 | -33.3 | 0 | 0 | 0 | 112.3 | ||
| 65 | P | 72.8 | Confident | 54.5 | Low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 150.9 | 172.2 | 30.8 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 66 | P | 73 | Confident | 54.9 | Low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 147 | 176.7 | 28.2 | -33.3 | 0 | 0 | 0 | 112 | ||
| 67 | P | 73.6 | Confident | 55.3 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 134 | -176.2 | 30.9 | -33.4 | 0 | 0 | 0 | 111.7 | L69 | P67-L69 PolarHBondContact O-N 3.32Š|
| 68 | M | 57.1 | Low | 56.3 | Low | 185 Ų | 185 | 133 Ų | 133 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -77.4 | 110.6 | 166.9 | -65.1 | -131.7 | 71.8 | 0 | 0 | 109.3 | A70 | M68-A70 PolarHBondContact O-N 3.38Š| ||
| 69 | L | 52.7 | Low | 56.6 | Low | 157 Ų | 157 | 137.4 Ų | 137.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -81.8 | 98.4 | 168 | -76.7 | 170.1 | 0 | 0 | 0 | 109.3 | P67 T71 | P67-L69 PolarHBondContact O-N 3.32Å; L69-T71 PolarHBondContact O-N 2.88Å | ||
| 70 | A | 46.2 | Very low | 56.8 | Low | 102 Ų | 102 | 138.4 Ų | 138.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 112.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | M68 | M68-A70 PolarHBondContact O-N 3.38Š| ||
| 71 | T | 56.2 | Low | 56.9 | Low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | trans | -124.3 | 113.3 | 165.7 | -31.6 | 0 | 0 | 0 | 0 | 107.6 | L69 | L69-T71 PolarHBondContact O-N 2.88Š| ||
| 72 | G | 46.5 | Very low | 56.7 | Low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -65.6 | 131.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K74 | G72-K74 PolarHBondContact O-N 2.79Š| ||
| 73 | I | 53.6 | Low | 56.2 | Low | 165 Ų | 165 | 140.2 Ų | 140.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -88.3 | 106.1 | 167.8 | -62.4 | 176.7 | 0 | 0 | 0 | 107.5 | R75 | I73-R75 PolarHBondContact O-N 2.81Š| ||
| 74 | K | 54.2 | Low | 55.7 | Low | 181 Ų | 181 | 142.8 Ų | 142.8 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -68.8 | 111.1 | 174.7 | -161.9 | 153.2 | -178.6 | 170.3 | 0 | 108.9 | G72 M76 | G72-K74 PolarHBondContact O-N 2.79Å; K74-M76 PolarHBondContact O-N 3.38Å | ||
| 75 | R | 47 | Very low | 54.5 | Low | 215 Ų | 215 | 140.1 Ų | 140.1 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -66.6 | 113.2 | 166.4 | -69.3 | -102.6 | -176.6 | 170.3 | -0.5 | 108.1 | I73 | I73-R75 PolarHBondContact O-N 2.81Š| ||
| 76 | M | 60.9 | Low | 53.5 | Low | 161 Ų | 161 | 140.7 Ų | 140.7 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -124.8 | 105.1 | 158.9 | -87.9 | -167 | -65.6 | 0 | 0 | 107.4 | K74 | K74-M76 PolarHBondContact O-N 3.38Š| ||
| 77 | Y | 53.9 | Low | 52.1 | Low | 199 Ų | 199 | 138.9 Ų | 138.9 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 129.4 | 155.8 | -93.6 | -99.6 | 0 | 0 | 0 | 106.7 | ||
| 78 | P | 66.7 | Low | 50.7 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 119.4 | 153.4 | 29.4 | -18.5 | 0 | 0 | 0 | 109.5 | ||
| 79 | D | 48.5 | Very low | 50.2 | Low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 147.3 | 155.4 | -64.8 | -62.3 | 0 | 0 | 0 | 110.4 | ||
| 80 | G | 46.5 | Very low | 49.7 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 167.5 | 99.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 81 | M | 49.9 | Very low | 49.8 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -89.6 | 133.8 | 178.7 | -177.4 | 103.7 | 82.4 | 0 | 0 | 112 | ||||
| 82 | C | 52.1 | Low | 49.1 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 173.8 | 105.5 | 148.2 | 49.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 83 | D | 42.8 | Very low | 49.3 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | 66.7 | 124.7 | 70 | -155.1 | -118.2 | 0 | 0 | 0 | 116 | |||||
| 84 | D | 45.8 | Very low | 49.4 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 72.1 | 138.6 | 157.7 | -157.9 | 49.3 | 0 | 0 | 0 | 122.2 | ||||
| 85 | G | 45.5 | Very low | 48.7 | Very low | 60 Ų | 60 | 147 Ų | 147 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | trans | 144.5 | 53.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 86 | S | 51.5 | Low | 48.6 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | 56.9 | 135.1 | 145.2 | -79.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 87 | G | 43.2 | Very low | 47.8 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -96.3 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 88 | H | 43.4 | Very low | 47.4 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -156.5 | 99.7 | 161.3 | -163.1 | 77.8 | 0 | 0 | 0 | 112.1 | ||||
| 89 | L | 48.2 | Very low | 46.4 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 67% | 0.665 | 81% | 0.811 | S | S | * | * | trans | 28.3 | 125.1 | 135.2 | -54.2 | 172.8 | 0 | 0 | 0 | 121.7 | ||||
| 90 | H | 41.3 | Very low | 46.5 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | 48.4 | 118.2 | 131.4 | -73.7 | -88.6 | 0 | 0 | 0 | 121.5 | ||||
| 91 | A | 47.4 | Very low | 46.4 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 119.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 92 | E | 42.6 | Very low | 46.1 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149.1 | 172.8 | -64.3 | -130.8 | 110.2 | 0 | 0 | 112.9 | ||
| 93 | P | 51 | Low | 45.8 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 117.2 | 160.8 | 32.6 | -21.5 | 0 | 0 | 0 | 111.1 | ||
| 94 | K | 55.1 | Low | 45.9 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 138.6 | 170.8 | -68.1 | -179.2 | 174.1 | -176.9 | 0 | 111.8 | H96 | K94-H96 PolarHBondContact O-N 3.24Š|
| 95 | Q | 40.7 | Very low | 46.3 | Very low | 200 Ų | 200 | 132 Ų | 132 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 120.2 | 169.1 | -64.3 | 174.1 | -9 | 0 | 0 | 110.1 | ||
| 96 | H | 43.2 | Very low | 46.5 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -107.8 | 101.2 | 166 | -167.9 | 70.1 | 0 | 0 | 0 | 107.9 | K94 Q98 | K94-H96 PolarHBondContact O-N 3.24Å; H96-Q98 PolarHBondContact O-N 2.97Å | ||
| 97 | Q | 44 | Very low | 46.9 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 107.5 | 171.9 | -173.8 | 165.9 | 79.2 | 0 | 0 | 107 | ||||
| 98 | Q | 47.1 | Very low | 47.5 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | trans | -100.5 | 106.4 | 176.2 | -156.8 | 163.6 | 13 | 0 | 0 | 108.6 | H96 | H96-Q98 PolarHBondContact O-N 2.97Š| ||
| 99 | D | 45.7 | Very low | 47.5 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -66.3 | 126.3 | 165.5 | 174.6 | 33.5 | 0 | 0 | 0 | 109.9 | ||||
| 100 | C | 50.8 | Low | 47.1 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -140.4 | 84.8 | 165.3 | -71.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 101 | G | 44.4 | Very low | 46.8 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -77.8 | 153.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 102 | G | 43 | Very low | 46.5 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | 100 | 114.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 103 | G | 44.9 | Very low | 46.5 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 156.4 | 78.2 | 161 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 104 | A | 45.8 | Very low | 46.1 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -70.6 | 136.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | S | 54.8 | Low | 45.4 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -160.9 | 110.1 | 155.3 | -63.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 106 | D | 49.6 | Very low | 45.1 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -67.5 | 168.5 | 167.6 | -70.4 | -58.1 | 0 | 0 | 0 | 110.7 | ||||
| 107 | D | 59 | Low | 44.8 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 114.1 | 130.5 | 158 | -52.5 | -42.7 | 0 | 0 | 0 | 118.1 | ||||
| 108 | E | 56.8 | Low | 45 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | 91.7 | 94.1 | 158.1 | -56.9 | -56.2 | 122.9 | 0 | 0 | 121 | ||||
| 109 | E | 42.9 | Very low | 44.5 | Very low | 195 Ų | 195 | 118.6 Ų | 118.6 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -44.3 | 121.9 | 150.7 | -177.8 | -167.1 | -174.2 | 0 | 0 | 113.2 | ||||
| 110 | G | 38.4 | Very low | 44.8 | Very low | 67 Ų | 67 | 119.8 Ų | 119.8 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 156.9 | 102.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 111 | S | 36.9 | Very low | 45.5 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 56.1 | 94.3 | 146.9 | -160.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 112 | A | 40.5 | Very low | 47.4 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -140.2 | 80.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A114 | A112-A114 PolarHBondContact O-N 3.5Š| ||
| 113 | A | 41.9 | Very low | 49.6 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 40.9 | 161 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 114 | A | 43.5 | Very low | 51.9 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 7.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A112 C116 | A112-A114 PolarHBondContact O-N 3.5Å; A114-C116 PolarHBondContact O-N 3.4Å; A114-C116 VanDerWaalsContact O-N 3.13Å |
| 115 | A | 39.4 | Very low | 54.2 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | trans | -85.7 | 36 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G117 | A115-G117 PolarHBondContact O-N 2.91Å; A115-G117 VanDerWaalsContact O-N 3.14Å | ||
| 116 | C | 35.3 | Very low | 56.2 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 89% | 0.892 | 70% | 0.7 | S | S | * | * | trans | -76.7 | 86.4 | 173.9 | -171.5 | 0 | 0 | 0 | 0 | 109 | A114 | A114-C116 PolarHBondContact O-N 3.4Å; A114-C116 VanDerWaalsContact O-N 3.13Å | ||
| 117 | G | 35.7 | Very low | 58.4 | Low | 46 Ų | 46 | 120.4 Ų | 120.4 | 47% | 0.474 | 67% | 0.672 | S | S | . | * | S | Bend | trans | 164.9 | 134.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | A115 R119 | A115-G117 PolarHBondContact O-N 2.91Å; A115-G117 VanDerWaalsContact O-N 3.14Å; G117-R119 PolarHBondContact O-N 3.28Å; G117-R119 VanDerWaalsContact O-N 3.13Å |
| 118 | E | 48.8 | Very low | 60.2 | Low | 203 Ų | 203 | 115 Ų | 115 | 95% | 0.949 | 64% | 0.644 | S | S | * | * | trans | 78 | -11.7 | 154 | -50.9 | -174.2 | 114.5 | 0 | 0 | 121.1 | K120 | E118-K120 PolarHBondContact O-N 3.45Š| ||
| 119 | R | 37.5 | Very low | 62.1 | Low | 182 Ų | 182 | 112.6 Ų | 112.6 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | trans | -90.6 | 94.1 | 174.1 | -68.8 | -176.4 | -70.1 | 128.6 | -2.4 | 111.8 | G117 R121 | G117-R119 PolarHBondContact O-N 3.28Å; G117-R119 VanDerWaalsContact O-N 3.13Å; R119-R121 PolarHBondContact O-N 3.36Å | ||
| 120 | K | 50.5 | Low | 64.6 | Low | 168 Ų | 168 | 105 Ų | 105 | 73% | 0.73 | 60% | 0.595 | S | S | * | * | trans | -51.8 | 89.8 | 157.9 | -82.4 | 144.9 | 174.4 | 165.9 | 0 | 108.2 | E118 R122 | E118-K120 PolarHBondContact O-N 3.45Å; K120-R122 PolarHBondContact O-N 3.42Å | ||
| 121 | R | 66.6 | Low | 67.4 | Low | 173 Ų | 173 | 101.8 Ų | 101.8 | 65% | 0.653 | 56% | 0.562 | S | S | * | * | trans | -64.8 | 82.8 | -179.1 | -79.8 | -172.7 | -78.7 | -174.3 | -5.9 | 109.4 | R119 | R119-R121 PolarHBondContact O-N 3.36Š| ||
| 122 | R | 84 | Confident | 70.2 | Confident | 215 Ų | 215 | 99.2 Ų | 99.2 | 81% | 0.811 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -61 | 133.2 | 164.4 | -67.7 | 178.2 | 177.1 | -100.7 | 2.2 | 107.2 | K120 | K120-R122 PolarHBondContact O-N 3.42Š|
| 123 | L | 89.3 | Confident | 72.9 | Confident | 41 Ų | 41 | 102.3 Ų | 102.3 | 22% | 0.215 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 140.6 | 171.9 | -60.2 | 179.3 | 0 | 0 | 0 | 108.5 | Q127 V128 L131 L155 W163 | L123-Q127 HydrophobicContact CB-CB 4.34Å; L123-V128 HydrophobicContact CB-CG2 3.89Å; L123-L131 HydrophobicContact CD1-CD1 3.75Å; L123-L155 HydrophobicContact CD1-CD1 4.43Å; L123-L155 HydrophobicContact CD2-CD1 3.62Å; L123-L155 HydrophobicContact CD2-CD2 3.53Å; L123-L155 HydrophobicContact CD2-CG 4.23Å; L123-W163 HydrophobicContact CD1-CB 4.44Å; L123-W163 HydrophobicContact CD1-CG 4.19Å |
| 124 | S | 93.4 | Very high | 75.3 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 152.8 | 173.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | E126 Q127 V128 | S124-E126 PolarHBondContact O-N 2.94Å; S124-Q127 WeakPolarHBondContact O-CB 3.31Å; S124-Q127 PolarHBondContact O-N 3.42Å; S124-V128 WeakPolarHBondContact O-CG2 3.47Å; S124-V128 PolarHBondContact O-N 3.17Å |
| 125 | V | 94.5 | Very high | 77.8 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.4 | -40.1 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 111 | Q127 V128 R129 | V125-Q127 VanDerWaalsContact C-N 3.34Å; V125-Q127 PolarHBondContact O-N 3.38Å; V125-V128 PolarHBondContact O-N 2.94Å; V125-R129 HydrophobicContact CG1-CG 4.47Å; V125-R129 VanDerWaalsContact CG1-CZ 3.43Å; V125-R129 WeakPolarHBondContact O-CG 3.46Å; V125-R129 PolarHBondContact O-N 2.87Å |
| 126 | E | 95.7 | Very high | 80.4 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 176.2 | -66.8 | -59.4 | 158.8 | 0 | 0 | 113 | S124 R129 T130 | S124-E126 PolarHBondContact O-N 2.94Å; E126-R129 IonicContact OE1-CZ 3.97Å; E126-R129 IonicContact OE1-NH1 2.67Å; E126-R129 PolarHBondContact OE1-NH1 3.3Å; E126-R129 IonicContact OE2-NH1 3.45Å; E126-R129 PolarHBondContact OE2-NH1 3Å; E126-T130 PolarHBondContact O-N 3.5Å; E126-T130 VanDerWaalsContact O-N 3.13Å; E126-T130 PolarHBondContact O-OG1 3.47Å; E126-T130 VanDerWaalsContact O-OG1 3.07Å |
| 127 | Q | 95.9 | Very high | 83.1 | Confident | 42 Ų | 42 | 97.1 Ų | 97.1 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.3 | -66.8 | 173.7 | -37.7 | 0 | 0 | 110.3 | L123 S124 V125 T130 L131 L153 L155 | L123-Q127 HydrophobicContact CB-CB 4.34Å; S124-Q127 WeakPolarHBondContact O-CB 3.31Å; S124-Q127 PolarHBondContact O-N 3.42Å; V125-Q127 VanDerWaalsContact C-N 3.34Å; V125-Q127 PolarHBondContact O-N 3.38Å; Q127-T130 PolarHBondContact O-N 2.9Å; Q127-L131 VanDerWaalsContact O-CG 3.27Å; Q127-L131 WeakPolarHBondContact O-CG 3.35Å; Q127-L131 PolarHBondContact O-N 3.47Å; Q127-L153 HydrophobicContact CB-CD2 4.47Å; Q127-L153 HydrophobicContact CG-CB 4.47Å; Q127-L153 HydrophobicContact CG-CD2 4.36Å; Q127-L153 PolarHBondContact NE2-O 2.99Å; Q127-L155 HydrophobicContact CB-CD1 4.49Å |
| 128 | V | 96.2 | Very high | 85.8 | Confident | 37 Ų | 37 | 96.6 Ų | 96.6 | 22% | 0.224 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 177.2 | 176.9 | 0 | 0 | 0 | 0 | 111 | L123 S124 V125 T130 L131 E132 W163 | L123-V128 HydrophobicContact CB-CG2 3.89Å; S124-V128 WeakPolarHBondContact O-CG2 3.47Å; S124-V128 PolarHBondContact O-N 3.17Å; V125-V128 PolarHBondContact O-N 2.94Å; V128-T130 VanDerWaalsContact C-N 3.26Å; V128-T130 PolarHBondContact O-N 3.21Å; V128-L131 CarbonylContact O-C 3.53Å; V128-L131 WeakPolarHBondContact O-CB 3.33Å; V128-L131 PolarHBondContact O-N 3.29Å; V128-L131 VanDerWaalsContact O-N 3.07Å; V128-E132 HydrophobicContact CG1-CG 4.14Å; V128-E132 WeakPolarHBondContact O-CG 3.29Å; V128-E132 PolarHBondContact O-N 2.91Å; V128-W163 HydrophobicContact CG1-CZ2 4.38Å |
| 129 | R | 96.9 | Very high | 87.7 | Confident | 120 Ų | 120 | 89.6 Ų | 89.6 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.6 | -39.5 | 177.8 | -73.5 | 179.3 | -170.8 | 133.5 | -1 | 112.8 | V125 E126 E132 R133 | V125-R129 HydrophobicContact CG1-CG 4.47Å; V125-R129 VanDerWaalsContact CG1-CZ 3.43Å; V125-R129 WeakPolarHBondContact O-CG 3.46Å; V125-R129 PolarHBondContact O-N 2.87Å; E126-R129 IonicContact OE1-CZ 3.97Å; E126-R129 IonicContact OE1-NH1 2.67Å; E126-R129 PolarHBondContact OE1-NH1 3.3Å; E126-R129 IonicContact OE2-NH1 3.45Å; E126-R129 PolarHBondContact OE2-NH1 3Å; R129-E132 PolarHBondContact O-N 3.42Å; R129-R133 WeakPolarHBondContact O-CG 3.38Å; R129-R133 PolarHBondContact O-N 3.45Å |
| 130 | T | 95.7 | Very high | 90.3 | Very high | 36 Ų | 36 | 86.8 Ų | 86.8 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | E126 Q127 V128 E132 R133 S134 L153 | E126-T130 PolarHBondContact O-N 3.5Å; E126-T130 VanDerWaalsContact O-N 3.13Å; E126-T130 PolarHBondContact O-OG1 3.47Å; E126-T130 VanDerWaalsContact O-OG1 3.07Å; Q127-T130 PolarHBondContact O-N 2.9Å; V128-T130 VanDerWaalsContact C-N 3.26Å; V128-T130 PolarHBondContact O-N 3.21Å; T130-E132 VanDerWaalsContact C-N 3.33Å; T130-R133 PolarHBondContact OG1-NH2 3.3Å; T130-R133 VanDerWaalsContact OG1-NH2 3.11Å; T130-S134 VanDerWaalsContact O-CB 3.22Å; T130-S134 WeakPolarHBondContact O-CB 3.33Å; T130-S134 PolarHBondContact O-N 3.2Å; T130-L153 HydrophobicContact CG2-CD2 3.86Å |
| 131 | L | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 172.7 | -69.5 | 168.1 | 0 | 0 | 0 | 112.1 | L123 Q127 V128 S134 F135 L153 L155 V160 W163 F164 | L123-L131 HydrophobicContact CD1-CD1 3.75Å; Q127-L131 VanDerWaalsContact O-CG 3.27Å; Q127-L131 WeakPolarHBondContact O-CG 3.35Å; Q127-L131 PolarHBondContact O-N 3.47Å; V128-L131 CarbonylContact O-C 3.53Å; V128-L131 WeakPolarHBondContact O-CB 3.33Å; V128-L131 PolarHBondContact O-N 3.29Å; V128-L131 VanDerWaalsContact O-N 3.07Å; L131-S134 WeakPolarHBondContact O-CB 3.47Å; L131-S134 PolarHBondContact O-N 3.31Å; L131-F135 WeakPolarHBondContact O-CB 3.47Å; L131-F135 PolarHBondContact O-N 3.4Å; L131-L153 HydrophobicContact CD1-CD1 4.21Å; L131-L153 HydrophobicContact CD2-CD1 3.69Å; L131-L153 HydrophobicContact CG-CD1 3.63Å; L131-L155 HydrophobicContact CD1-CD1 4.5Å; L131-V160 HydrophobicContact CD2-CG1 3.85Å; L131-V160 HydrophobicContact CD2-CG2 4.42Å; L131-W163 VanDerWaalsContact C-CH2 3.41Å; L131-W163 HydrophobicContact CB-CD2 3.83Å; L131-W163 HydrophobicContact CB-CE3 3.74Å; L131-W163 HydrophobicContact CB-CH2 3.61Å; L131-W163 HydrophobicContact CB-CZ2 3.67Å; L131-W163 HydrophobicContact CB-CZ3 3.64Å; L131-W163 HydrophobicContact CD1-CB 4.32Å; L131-W163 HydrophobicContact CD1-CD2 3.76Å; L131-W163 HydrophobicContact CD1-CE3 4.28Å; L131-W163 HydrophobicContact CD1-CG 3.75Å; L131-W163 HydrophobicContact CD2-CE3 4.37Å; L131-W163 HydrophobicContact CG-CD2 4.28Å; L131-W163 HydrophobicContact CG-CE3 4.35Å; L131-W163 WeakPolarHBondContact O-CH2 3.34Å; L131-W163 WeakPolarHBondContact O-CZ3 3.46Å; L131-F164 HydrophobicContact CD2-CE2 4.06Å |
| 132 | E | 96.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 77.5 Ų | 77.5 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -51.5 | 176.4 | -72.9 | 177.5 | 157.5 | 0 | 0 | 112.2 | V128 R129 T130 S134 F135 E136 W163 | V128-E132 HydrophobicContact CG1-CG 4.14Å; V128-E132 WeakPolarHBondContact O-CG 3.29Å; V128-E132 PolarHBondContact O-N 2.91Å; R129-E132 PolarHBondContact O-N 3.42Å; T130-E132 VanDerWaalsContact C-N 3.33Å; E132-S134 PolarHBondContact O-N 3.26Å; E132-F135 WeakPolarHBondContact O-CA 3.44Å; E132-F135 WeakPolarHBondContact O-CB 3.36Å; E132-F135 PolarHBondContact O-N 2.91Å; E132-E136 WeakPolarHBondContact O-CG 3.47Å; E132-E136 PolarHBondContact O-N 3.33Å; E132-W163 HydrophobicContact CG-CH2 3.86Å; E132-W163 HydrophobicContact CG-CZ2 3.71Å |
| 133 | R | 95.9 | Very high | 93.9 | Very high | 153 Ų | 153 | 71.6 Ų | 71.6 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55.2 | -40.9 | 173.3 | -72.5 | -175.8 | -67.1 | 163.9 | -1.5 | 111.7 | R129 T130 E136 V137 | R129-R133 WeakPolarHBondContact O-CG 3.38Å; R129-R133 PolarHBondContact O-N 3.45Å; T130-R133 PolarHBondContact OG1-NH2 3.3Å; T130-R133 VanDerWaalsContact OG1-NH2 3.11Å; R133-E136 PolarHBondContact O-N 3.27Å; R133-V137 WeakPolarHBondContact O-CG2 3.25Å; R133-V137 PolarHBondContact O-N 3.46Å |
| 134 | S | 94.2 | Very high | 94.2 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 5% | 0.049 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | T130 L131 E132 V137 A138 R145 L149 | T130-S134 VanDerWaalsContact O-CB 3.22Å; T130-S134 WeakPolarHBondContact O-CB 3.33Å; T130-S134 PolarHBondContact O-N 3.2Å; L131-S134 WeakPolarHBondContact O-CB 3.47Å; L131-S134 PolarHBondContact O-N 3.31Å; E132-S134 PolarHBondContact O-N 3.26Å; S134-V137 PolarHBondContact O-N 2.99Å; S134-A138 PolarHBondContact O-N 3.41Å; S134-R145 PolarHBondContact O-NH1 3.4Å; S134-R145 PolarHBondContact O-NH2 3.44Å; S134-R145 PolarHBondContact OG-NH1 3.06Å; S134-R145 PolarHBondContact OG-NH2 3.42Å; S134-L149 WeakPolarHBondContact OG-CD1 3.38Å |
| 135 | F | 95 | Very high | 94.2 | Very high | 18 Ų | 18 | 76.5 Ų | 76.5 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 178.3 | -176.7 | -90.9 | 0 | 0 | 0 | 113.2 | L131 E132 V137 A138 N139 W163 F164 R167 R168 | L131-F135 WeakPolarHBondContact O-CB 3.47Å; L131-F135 PolarHBondContact O-N 3.4Å; E132-F135 WeakPolarHBondContact O-CA 3.44Å; E132-F135 WeakPolarHBondContact O-CB 3.36Å; E132-F135 PolarHBondContact O-N 2.91Å; F135-V137 VanDerWaalsContact C-N 3.3Å; F135-V137 PolarHBondContact O-N 2.95Å; F135-A138 CarbonylContact O-C 3.57Å; F135-A138 VanDerWaalsContact O-C 3.23Å; F135-A138 PolarHBondContact O-N 3.35Å; F135-N139 HydrophobicContact CE2-CB 4.4Å; F135-N139 WeakPolarHBondContact CE2-OD1 3.17Å; F135-N139 HydrophobicContact CZ-CB 4.34Å; F135-N139 WeakPolarHBondContact CZ-OD1 3.39Å; F135-N139 PolarHBondContact O-N 2.95Å; F135-W163 HydrophobicContact CB-CH2 4.23Å; F135-W163 HydrophobicContact CB-CZ3 4.09Å; F135-W163 HydrophobicContact CD2-CZ3 4.37Å; F135-F164 HydrophobicContact CB-CE1 4.17Å; F135-F164 HydrophobicContact CB-CZ 4.37Å; F135-F164 AromaticContact CD2-CD1 3.74Å; F135-F164 HydrophobicContact CD2-CD1 3.74Å; F135-F164 AromaticContact CD2-CE1 3.77Å; F135-F164 HydrophobicContact CD2-CE1 3.77Å; F135-F164 HydrophobicContact CE2-CD1 4.38Å; F135-F164 HydrophobicContact CG-CE1 4.45Å; F135-R167 HydrophobicContact CD1-CG 3.98Å; F135-R167 HydrophobicContact CD2-CB 4.25Å; F135-R167 HydrophobicContact CD2-CG 3.65Å; F135-R167 HydrophobicContact CE1-CG 3.93Å; F135-R167 HydrophobicContact CE2-CB 4.09Å; F135-R167 HydrophobicContact CE2-CG 3.58Å; F135-R167 HydrophobicContact CG-CG 3.86Å; F135-R167 HydrophobicContact CZ-CG 3.73Å; F135-R168 HydrophobicContact CE2-CG 3.88Å; F135-R168 HydrophobicContact CZ-CG 4.25Å |
| 136 | E | 93.7 | Very high | 94.3 | Very high | 148 Ų | 148 | 75.5 Ų | 75.5 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.5 | -36.8 | 176.8 | -72.4 | 166.7 | -176.2 | 0 | 0 | 112.3 | E132 R133 | E132-E136 WeakPolarHBondContact O-CG 3.47Å; E132-E136 PolarHBondContact O-N 3.33Å; R133-E136 PolarHBondContact O-N 3.27Å |
| 137 | V | 92.9 | Very high | 94.3 | Very high | 115 Ų | 115 | 71.7 Ų | 71.7 | 70% | 0.697 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.3 | -45.4 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | R133 S134 F135 | R133-V137 WeakPolarHBondContact O-CG2 3.25Å; R133-V137 PolarHBondContact O-N 3.46Å; S134-V137 PolarHBondContact O-N 2.99Å; F135-V137 VanDerWaalsContact C-N 3.3Å; F135-V137 PolarHBondContact O-N 2.95Å |
| 138 | A | 91.5 | Very high | 94.3 | Very high | 36 Ų | 36 | 74 Ų | 74 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | trans | -151.2 | 119 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S134 F135 K140 | S134-A138 PolarHBondContact O-N 3.41Å; F135-A138 CarbonylContact O-C 3.57Å; F135-A138 VanDerWaalsContact O-C 3.23Å; F135-A138 PolarHBondContact O-N 3.35Å; A138-K140 VanDerWaalsContact C-N 3.33Å | ||
| 139 | N | 89.7 | Confident | 94.3 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -71.9 | -30 | 177 | -170.6 | -5.8 | 0 | 0 | 0 | 111.9 | F135 R168 | F135-N139 HydrophobicContact CE2-CB 4.4Å; F135-N139 WeakPolarHBondContact CE2-OD1 3.17Å; F135-N139 HydrophobicContact CZ-CB 4.34Å; F135-N139 WeakPolarHBondContact CZ-OD1 3.39Å; F135-N139 PolarHBondContact O-N 2.95Å; N139-R168 PolarHBondContact O-NH1 3.42Å; N139-R168 WeakPolarHBondContact OD1-CD 3.38Å; N139-R168 WeakPolarHBondContact OD1-CG 3.25Å |
| 140 | K | 90.8 | Very high | 94.3 | Very high | 124 Ų | 124 | 67.7 Ų | 67.7 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -82.3 | 123.7 | 171.3 | -64.6 | -178.3 | -169.3 | -85.8 | 0 | 109 | A138 | A138-K140 VanDerWaalsContact C-N 3.33Š|
| 141 | L | 91.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 74.6 Ų | 74.6 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | trans | -98 | 98.5 | -178.1 | -178.4 | 67.5 | 0 | 0 | 0 | 109.9 | R145 K146 L149 V160 F164 | L141-R145 HydrophobicContact CD1-CB 4.29Å; L141-R145 HydrophobicContact CD1-CG 4.28Å; L141-K146 HydrophobicContact CD1-CB 4.26Å; L141-K146 HydrophobicContact CD2-CB 3.76Å; L141-K146 HydrophobicContact CD2-CD 4.25Å; L141-K146 HydrophobicContact CD2-CG 3.85Å; L141-K146 HydrophobicContact CG-CB 3.88Å; L141-L149 HydrophobicContact CD1-CD1 3.73Å; L141-V160 HydrophobicContact CD2-CG1 3.79Å; L141-F164 HydrophobicContact CB-CD1 3.78Å; L141-F164 HydrophobicContact CB-CE1 4Å; L141-F164 HydrophobicContact CB-CG 4.07Å; L141-F164 HydrophobicContact CB-CZ 4.48Å; L141-F164 HydrophobicContact CD1-CD2 4.38Å; L141-F164 HydrophobicContact CD1-CE1 4.12Å; L141-F164 HydrophobicContact CD1-CE2 3.92Å; L141-F164 HydrophobicContact CD1-CZ 3.78Å; L141-F164 HydrophobicContact CD2-CB 4.33Å; L141-F164 HydrophobicContact CD2-CD1 4.4Å; L141-F164 HydrophobicContact CD2-CD2 3.68Å; L141-F164 HydrophobicContact CD2-CE2 4.03Å; L141-F164 HydrophobicContact CD2-CG 3.89Å; L141-F164 HydrophobicContact CG-CD1 4.46Å; L141-F164 HydrophobicContact CG-CD2 4.41Å; L141-F164 HydrophobicContact CG-CE1 4.48Å; L141-F164 HydrophobicContact CG-CE2 4.43Å; L141-F164 HydrophobicContact CG-CG 4.42Å; L141-F164 HydrophobicContact CG-CZ 4.48Å | ||
| 142 | E | 93.2 | Very high | 94.2 | Very high | 114 Ų | 114 | 78.4 Ų | 78.4 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | trans | -62.5 | 146.8 | 175.8 | -63.9 | -50.8 | 126 | 0 | 0 | 112.2 | E144 R145 K146 | E142-E144 VanDerWaalsContact C-N 3.29Å; E142-E144 PolarHBondContact O-N 3.27Å; E142-R145 HydrophobicContact CB-CB 4.34Å; E142-R145 PolarHBondContact O-N 3.46Å; E142-R145 VanDerWaalsContact O-N 3.17Å; E142-K146 PolarHBondContact O-N 2.9Å | ||
| 143 | P | 93.7 | Very high | 94.2 | Very high | 91 Ų | 91 | 76.3 Ų | 76.3 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.6 | -40.7 | -177.2 | -26.1 | 34.2 | 0 | 0 | 0 | 113.8 | K146 A147 | P143-K146 WeakPolarHBondContact O-CB 3.37Å; P143-K146 PolarHBondContact O-N 3.19Å; P143-A147 PolarHBondContact O-N 3.43Å; P143-A147 VanDerWaalsContact O-N 3.12Å |
| 144 | E | 94 | Very high | 94.1 | Very high | 145 Ų | 145 | 72.4 Ų | 72.4 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 178.8 | -168.4 | -174 | 165.8 | 0 | 0 | 111.1 | E142 K146 A147 Q148 | E142-E144 VanDerWaalsContact C-N 3.29Å; E142-E144 PolarHBondContact O-N 3.27Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 2.95Å; E144-A147 WeakPolarHBondContact O-CB 3.42Å; E144-A147 PolarHBondContact O-N 3.43Å; E144-A147 VanDerWaalsContact O-N 3.09Å; E144-Q148 WeakPolarHBondContact O-CG 3.44Å; E144-Q148 PolarHBondContact O-N 3.41Å; E144-Q148 PolarHBondContact OE1-NE2 3.44Å |
| 145 | R | 93.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 73 Ų | 73 | 23% | 0.234 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 178.3 | -166.1 | 172.7 | -161.7 | -120.2 | 1 | 112 | S134 L141 E142 A147 Q148 L149 | S134-R145 PolarHBondContact O-NH1 3.4Å; S134-R145 PolarHBondContact O-NH2 3.44Å; S134-R145 PolarHBondContact OG-NH1 3.06Å; S134-R145 PolarHBondContact OG-NH2 3.42Å; L141-R145 HydrophobicContact CD1-CB 4.29Å; L141-R145 HydrophobicContact CD1-CG 4.28Å; E142-R145 HydrophobicContact CB-CB 4.34Å; E142-R145 PolarHBondContact O-N 3.46Å; E142-R145 VanDerWaalsContact O-N 3.17Å; R145-A147 VanDerWaalsContact C-N 3.31Å; R145-A147 PolarHBondContact O-N 3.49Å; R145-Q148 PolarHBondContact O-N 2.87Å; R145-L149 HydrophobicContact CG-CD1 4.31Å; R145-L149 WeakPolarHBondContact O-CB 3.32Å; R145-L149 WeakPolarHBondContact O-CG 3.26Å; R145-L149 PolarHBondContact O-N 2.82Å |
| 146 | K | 96 | Very high | 94.2 | Very high | 69 Ų | 69 | 77.2 Ų | 77.2 | 30% | 0.3 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.7 | -46.4 | 172.2 | -178.7 | -179.7 | 66.8 | -173.5 | 0 | 111.2 | L141 E142 P143 E144 A150 P157 V160 A161 | L141-K146 HydrophobicContact CD1-CB 4.26Å; L141-K146 HydrophobicContact CD2-CB 3.76Å; L141-K146 HydrophobicContact CD2-CD 4.25Å; L141-K146 HydrophobicContact CD2-CG 3.85Å; L141-K146 HydrophobicContact CG-CB 3.88Å; E142-K146 PolarHBondContact O-N 2.9Å; P143-K146 WeakPolarHBondContact O-CB 3.37Å; P143-K146 PolarHBondContact O-N 3.19Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 2.95Å; K146-A150 WeakPolarHBondContact O-CB 3.46Å; K146-A150 PolarHBondContact O-N 3.28Å; K146-P157 HydrophobicContact CD-CB 4.32Å; K146-P157 HydrophobicContact CG-CB 4.25Å; K146-V160 HydrophobicContact CG-CG1 4.46Å; K146-A161 HydrophobicContact CD-CB 4.24Å |
| 147 | A | 95.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 73.3 Ų | 73.3 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P143 E144 R145 A150 R151 | P143-A147 PolarHBondContact O-N 3.43Å; P143-A147 VanDerWaalsContact O-N 3.12Å; E144-A147 WeakPolarHBondContact O-CB 3.42Å; E144-A147 PolarHBondContact O-N 3.43Å; E144-A147 VanDerWaalsContact O-N 3.09Å; R145-A147 VanDerWaalsContact C-N 3.31Å; R145-A147 PolarHBondContact O-N 3.49Å; A147-A150 PolarHBondContact O-N 2.91Å; A147-R151 WeakPolarHBondContact O-CG 3.46Å; A147-R151 PolarHBondContact O-N 2.89Å |
| 148 | Q | 95.8 | Very high | 94.4 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 175.6 | -67.2 | 173.4 | 13.8 | 0 | 0 | 112 | E144 R145 A150 R151 A152 | E144-Q148 WeakPolarHBondContact O-CG 3.44Å; E144-Q148 PolarHBondContact O-N 3.41Å; E144-Q148 PolarHBondContact OE1-NE2 3.44Å; R145-Q148 PolarHBondContact O-N 2.87Å; Q148-A150 PolarHBondContact O-N 3.39Å; Q148-R151 PolarHBondContact O-N 3.32Å; Q148-A152 WeakPolarHBondContact O-CB 3.36Å; Q148-A152 PolarHBondContact O-N 2.94Å |
| 149 | L | 96.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 10% | 0.099 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.3 | -70.5 | 169.4 | 0 | 0 | 0 | 112.2 | S134 L141 R145 A152 L153 V160 F164 | S134-L149 WeakPolarHBondContact OG-CD1 3.38Å; L141-L149 HydrophobicContact CD1-CD1 3.73Å; R145-L149 HydrophobicContact CG-CD1 4.31Å; R145-L149 WeakPolarHBondContact O-CB 3.32Å; R145-L149 WeakPolarHBondContact O-CG 3.26Å; R145-L149 PolarHBondContact O-N 2.82Å; L149-A152 PolarHBondContact O-N 3.44Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 3.28Å; L149-V160 HydrophobicContact CB-CG1 4.23Å; L149-V160 HydrophobicContact CD1-CG1 4.23Å; L149-F164 HydrophobicContact CD1-CE2 4.03Å; L149-F164 HydrophobicContact CD1-CZ 4.23Å |
| 150 | A | 96.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 74.3 Ų | 74.3 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K146 A147 Q148 G154 L155 P157 V160 | K146-A150 WeakPolarHBondContact O-CB 3.46Å; K146-A150 PolarHBondContact O-N 3.28Å; A147-A150 PolarHBondContact O-N 2.91Å; Q148-A150 PolarHBondContact O-N 3.39Å; A150-G154 PolarHBondContact O-N 3.34Å; A150-G154 VanDerWaalsContact O-N 3.13Å; A150-L155 CarbonylContact C-O 3.23Å; A150-L155 WeakPolarHBondContact CB-O 3.49Å; A150-L155 PolarHBondContact O-N 3.33Å; A150-P157 HydrophobicContact CB-CB 4.3Å; A150-P157 HydrophobicContact CB-CG 3.87Å; A150-V160 HydrophobicContact CB-CG2 4.19Å |
| 151 | R | 96.5 | Very high | 95.1 | Very high | 181 Ų | 181 | 70.1 Ų | 70.1 | 68% | 0.683 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63 | -48.6 | 175.5 | -70.6 | -168.7 | -56.8 | -93.1 | 4.9 | 112 | A147 Q148 L153 G154 | A147-R151 WeakPolarHBondContact O-CG 3.46Å; A147-R151 PolarHBondContact O-N 2.89Å; Q148-R151 PolarHBondContact O-N 3.32Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.14Å; R151-G154 PolarHBondContact O-N 3.18Å |
| 152 | A | 95.5 | Very high | 95.3 | Very high | 81 Ų | 81 | 71.7 Ų | 71.7 | 67% | 0.669 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.4 | -32.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q148 L149 | Q148-A152 WeakPolarHBondContact O-CB 3.36Å; Q148-A152 PolarHBondContact O-N 2.94Å; L149-A152 PolarHBondContact O-N 3.44Å |
| 153 | L | 95.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 67.3 Ų | 67.3 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -97.2 | -4.2 | -177.2 | -61.9 | 178.4 | 0 | 0 | 0 | 114.2 | Q127 T130 L131 L149 R151 L155 | Q127-L153 HydrophobicContact CB-CD2 4.47Å; Q127-L153 HydrophobicContact CG-CB 4.47Å; Q127-L153 HydrophobicContact CG-CD2 4.36Å; Q127-L153 PolarHBondContact NE2-O 2.99Å; T130-L153 HydrophobicContact CG2-CD2 3.86Å; L131-L153 HydrophobicContact CD1-CD1 4.21Å; L131-L153 HydrophobicContact CD2-CD1 3.69Å; L131-L153 HydrophobicContact CG-CD1 3.63Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 3.28Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.14Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 HydrophobicContact CB-CB 4.37Å; L153-L155 HydrophobicContact CB-CD1 3.81Å; L153-L155 HydrophobicContact CB-CG 3.83Å; L153-L155 HydrophobicContact CD1-CD1 4.07Å; L153-L155 PolarHBondContact O-N 3.06Å |
| 154 | G | 94.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 63 Ų | 63 | 73% | 0.732 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 32.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A150 R151 | A150-G154 PolarHBondContact O-N 3.34Å; A150-G154 VanDerWaalsContact O-N 3.13Å; R151-G154 PolarHBondContact O-N 3.18Å |
| 155 | L | 94.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | trans | -110.9 | 155.5 | -176.8 | -65 | 178 | 0 | 0 | 0 | 111.3 | L123 Q127 L131 A150 L153 V160 | L123-L155 HydrophobicContact CD1-CD1 4.43Å; L123-L155 HydrophobicContact CD2-CD1 3.62Å; L123-L155 HydrophobicContact CD2-CD2 3.53Å; L123-L155 HydrophobicContact CD2-CG 4.23Å; Q127-L155 HydrophobicContact CB-CD1 4.49Å; L131-L155 HydrophobicContact CD1-CD1 4.5Å; A150-L155 CarbonylContact C-O 3.23Å; A150-L155 WeakPolarHBondContact CB-O 3.49Å; A150-L155 PolarHBondContact O-N 3.33Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 HydrophobicContact CB-CB 4.37Å; L153-L155 HydrophobicContact CB-CD1 3.81Å; L153-L155 HydrophobicContact CB-CG 3.83Å; L153-L155 HydrophobicContact CD1-CD1 4.07Å; L153-L155 PolarHBondContact O-N 3.06Å; L155-V160 HydrophobicContact CB-CG2 4.26Å; L155-V160 HydrophobicContact CD1-CG2 4.5Å | ||
| 156 | Q | 95.2 | Very high | 95.9 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | trans | -70.4 | 141 | 170.2 | -64.5 | -175.7 | 8.1 | 0 | 0 | 110.2 | R158 Q159 V160 | Q156-R158 PolarHBondContact O-N 3.31Å; Q156-Q159 HydrophobicContact CB-CG 4.27Å; Q156-Q159 WeakPolarHBondContact O-CB 3.3Å; Q156-Q159 PolarHBondContact O-N 3.43Å; Q156-V160 PolarHBondContact O-N 3.49Å | ||
| 157 | P | 95.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52 | -31.9 | 176.6 | -28.7 | 34.9 | 0 | 0 | 0 | 113.9 | K146 A150 V160 A161 | K146-P157 HydrophobicContact CD-CB 4.32Å; K146-P157 HydrophobicContact CG-CB 4.25Å; A150-P157 HydrophobicContact CB-CB 4.3Å; A150-P157 HydrophobicContact CB-CG 3.87Å; P157-V160 PolarHBondContact O-N 3.44Å; P157-A161 PolarHBondContact O-N 3.32Å |
| 158 | R | 95 | Very high | 96 | Very high | 183 Ų | 183 | 58.9 Ų | 58.9 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.3 | -176.1 | 175.9 | -179.6 | -126.8 | 0.2 | 112.9 | Q156 V160 A161 I162 | Q156-R158 PolarHBondContact O-N 3.31Å; R158-V160 VanDerWaalsContact C-N 3.34Å; R158-A161 PolarHBondContact O-N 3.35Å; R158-I162 HydrophobicContact CG-CD1 3.88Å; R158-I162 HydrophobicContact CG-CG1 4.41Å; R158-I162 WeakPolarHBondContact O-CG1 3.24Å; R158-I162 PolarHBondContact O-N 3.36Å |
| 159 | Q | 95.5 | Very high | 96 | Very high | 44 Ų | 44 | 55 Ų | 55 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.8 | -67.7 | 177.3 | -78.2 | 0 | 0 | 111 | Q156 I162 W163 | Q156-Q159 HydrophobicContact CB-CG 4.27Å; Q156-Q159 WeakPolarHBondContact O-CB 3.3Å; Q156-Q159 PolarHBondContact O-N 3.43Å; Q159-I162 PolarHBondContact O-N 3.36Å; Q159-W163 WeakPolarHBondContact O-CB 3.39Å; Q159-W163 PolarHBondContact O-N 2.9Å |
| 160 | V | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L131 L141 K146 L149 A150 L155 Q156 P157 R158 I162 W163 F164 | L131-V160 HydrophobicContact CD2-CG1 3.85Å; L131-V160 HydrophobicContact CD2-CG2 4.42Å; L141-V160 HydrophobicContact CD2-CG1 3.79Å; K146-V160 HydrophobicContact CG-CG1 4.46Å; L149-V160 HydrophobicContact CB-CG1 4.23Å; L149-V160 HydrophobicContact CD1-CG1 4.23Å; A150-V160 HydrophobicContact CB-CG2 4.19Å; L155-V160 HydrophobicContact CB-CG2 4.26Å; L155-V160 HydrophobicContact CD1-CG2 4.5Å; Q156-V160 PolarHBondContact O-N 3.49Å; P157-V160 PolarHBondContact O-N 3.44Å; R158-V160 VanDerWaalsContact C-N 3.34Å; V160-I162 PolarHBondContact O-N 2.98Å; V160-W163 PolarHBondContact O-N 3.4Å; V160-F164 HydrophobicContact CG1-CD2 3.97Å; V160-F164 HydrophobicContact CG1-CE2 4.03Å; V160-F164 WeakPolarHBondContact O-CD2 3.42Å; V160-F164 PolarHBondContact O-N 3.44Å |
| 161 | A | 95.8 | Very high | 96 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K146 P157 R158 W163 F164 Q165 | K146-A161 HydrophobicContact CD-CB 4.24Å; P157-A161 PolarHBondContact O-N 3.32Å; R158-A161 PolarHBondContact O-N 3.35Å; A161-W163 VanDerWaalsContact C-N 3.33Å; A161-W163 PolarHBondContact O-N 3.17Å; A161-F164 PolarHBondContact O-N 3.21Å; A161-Q165 PolarHBondContact O-N 3.2Å |
| 162 | I | 95.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.7 | -69.2 | 170.2 | 0 | 0 | 0 | 110.7 | R158 Q159 V160 F164 Q165 N166 | R158-I162 HydrophobicContact CG-CD1 3.88Å; R158-I162 HydrophobicContact CG-CG1 4.41Å; R158-I162 WeakPolarHBondContact O-CG1 3.24Å; R158-I162 PolarHBondContact O-N 3.36Å; Q159-I162 PolarHBondContact O-N 3.36Å; V160-I162 PolarHBondContact O-N 2.98Å; I162-F164 PolarHBondContact O-N 3.35Å; I162-Q165 PolarHBondContact O-N 3.49Å; I162-N166 WeakPolarHBondContact O-CB 3.47Å; I162-N166 VanDerWaalsContact O-CG 3.31Å; I162-N166 PolarHBondContact O-N 3.41Å |
| 163 | W | 96.8 | Very high | 96 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 177 | -175.3 | 96.7 | 0 | 0 | 0 | 111.4 | L123 V128 L131 E132 F135 Q159 V160 A161 Q165 N166 R167 | L123-W163 HydrophobicContact CD1-CB 4.44Å; L123-W163 HydrophobicContact CD1-CG 4.19Å; V128-W163 HydrophobicContact CG1-CZ2 4.38Å; L131-W163 VanDerWaalsContact C-CH2 3.41Å; L131-W163 HydrophobicContact CB-CD2 3.83Å; L131-W163 HydrophobicContact CB-CE3 3.74Å; L131-W163 HydrophobicContact CB-CH2 3.61Å; L131-W163 HydrophobicContact CB-CZ2 3.67Å; L131-W163 HydrophobicContact CB-CZ3 3.64Å; L131-W163 HydrophobicContact CD1-CB 4.32Å; L131-W163 HydrophobicContact CD1-CD2 3.76Å; L131-W163 HydrophobicContact CD1-CE3 4.28Å; L131-W163 HydrophobicContact CD1-CG 3.75Å; L131-W163 HydrophobicContact CD2-CE3 4.37Å; L131-W163 HydrophobicContact CG-CD2 4.28Å; L131-W163 HydrophobicContact CG-CE3 4.35Å; L131-W163 WeakPolarHBondContact O-CH2 3.34Å; L131-W163 WeakPolarHBondContact O-CZ3 3.46Å; E132-W163 HydrophobicContact CG-CH2 3.86Å; E132-W163 HydrophobicContact CG-CZ2 3.71Å; F135-W163 HydrophobicContact CB-CH2 4.23Å; F135-W163 HydrophobicContact CB-CZ3 4.09Å; F135-W163 HydrophobicContact CD2-CZ3 4.37Å; Q159-W163 WeakPolarHBondContact O-CB 3.39Å; Q159-W163 PolarHBondContact O-N 2.9Å; V160-W163 PolarHBondContact O-N 3.4Å; A161-W163 VanDerWaalsContact C-N 3.33Å; A161-W163 PolarHBondContact O-N 3.17Å; W163-Q165 PolarHBondContact O-N 2.9Å; W163-N166 PolarHBondContact O-N 2.89Å; W163-R167 HydrophobicContact CE3-CB 4.2Å; W163-R167 HydrophobicContact CH2-CB 4.14Å; W163-R167 HydrophobicContact CH2-CG 3.88Å; W163-R167 HydrophobicContact CZ2-CG 4.49Å; W163-R167 HydrophobicContact CZ3-CB 3.95Å; W163-R167 HydrophobicContact CZ3-CG 4.03Å; W163-R167 VanDerWaalsContact O-CB 3.29Å; W163-R167 WeakPolarHBondContact O-CB 3.49Å; W163-R167 PolarHBondContact O-N 3.34Å |
| 164 | F | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.4 | -93.7 | -101.2 | 0 | 0 | 0 | 112 | L131 F135 L141 L149 V160 A161 I162 R167 R168 | L131-F164 HydrophobicContact CD2-CE2 4.06Å; F135-F164 HydrophobicContact CB-CE1 4.17Å; F135-F164 HydrophobicContact CB-CZ 4.37Å; F135-F164 AromaticContact CD2-CD1 3.74Å; F135-F164 HydrophobicContact CD2-CD1 3.74Å; F135-F164 AromaticContact CD2-CE1 3.77Å; F135-F164 HydrophobicContact CD2-CE1 3.77Å; F135-F164 HydrophobicContact CE2-CD1 4.38Å; F135-F164 HydrophobicContact CG-CE1 4.45Å; L141-F164 HydrophobicContact CB-CD1 3.78Å; L141-F164 HydrophobicContact CB-CE1 4Å; L141-F164 HydrophobicContact CB-CG 4.07Å; L141-F164 HydrophobicContact CB-CZ 4.48Å; L141-F164 HydrophobicContact CD1-CD2 4.38Å; L141-F164 HydrophobicContact CD1-CE1 4.12Å; L141-F164 HydrophobicContact CD1-CE2 3.92Å; L141-F164 HydrophobicContact CD1-CZ 3.78Å; L141-F164 HydrophobicContact CD2-CB 4.33Å; L141-F164 HydrophobicContact CD2-CD1 4.4Å; L141-F164 HydrophobicContact CD2-CD2 3.68Å; L141-F164 HydrophobicContact CD2-CE2 4.03Å; L141-F164 HydrophobicContact CD2-CG 3.89Å; L141-F164 HydrophobicContact CG-CD1 4.46Å; L141-F164 HydrophobicContact CG-CD2 4.41Å; L141-F164 HydrophobicContact CG-CE1 4.48Å; L141-F164 HydrophobicContact CG-CE2 4.43Å; L141-F164 HydrophobicContact CG-CG 4.42Å; L141-F164 HydrophobicContact CG-CZ 4.48Å; L149-F164 HydrophobicContact CD1-CE2 4.03Å; L149-F164 HydrophobicContact CD1-CZ 4.23Å; V160-F164 HydrophobicContact CG1-CD2 3.97Å; V160-F164 HydrophobicContact CG1-CE2 4.03Å; V160-F164 WeakPolarHBondContact O-CD2 3.42Å; V160-F164 PolarHBondContact O-N 3.44Å; A161-F164 PolarHBondContact O-N 3.21Å; I162-F164 PolarHBondContact O-N 3.35Å; F164-R167 PolarHBondContact O-N 2.93Å; F164-R168 WeakPolarHBondContact O-CG 3.43Å; F164-R168 PolarHBondContact O-N 3.43Å |
| 165 | Q | 95.9 | Very high | 96.1 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 173.9 | 179.7 | 180 | 7.3 | 0 | 0 | 111.4 | F18 A161 I162 W163 R167 R168 A169 | F18-Q165 HydrophobicContact CE1-CG 4.38Å; A161-Q165 PolarHBondContact O-N 3.2Å; I162-Q165 PolarHBondContact O-N 3.49Å; W163-Q165 PolarHBondContact O-N 2.9Å; Q165-R167 VanDerWaalsContact C-N 3.28Å; Q165-R167 PolarHBondContact O-N 3.12Å; Q165-R168 PolarHBondContact O-N 3.14Å; Q165-A169 PolarHBondContact O-N 3.44Å |
| 166 | N | 97.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 178.9 | -71.6 | -14.6 | 0 | 0 | 0 | 111.8 | F14 I162 W163 A169 R170 | F14-N166 WeakPolarHBondContact CE2-OD1 3.39Å; F14-N166 WeakPolarHBondContact CZ-OD1 3.43Å; I162-N166 WeakPolarHBondContact O-CB 3.47Å; I162-N166 VanDerWaalsContact O-CG 3.31Å; I162-N166 PolarHBondContact O-N 3.41Å; W163-N166 PolarHBondContact O-N 2.89Å; N166-A169 PolarHBondContact O-N 3.09Å; N166-R170 WeakPolarHBondContact O-CG 3.39Å; N166-R170 PolarHBondContact O-N 3.42Å |
| 167 | R | 97 | Very high | 96.3 | Very high | 76 Ų | 76 | 69 Ų | 69 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 176.2 | -176.2 | 56.7 | 176.3 | 156.5 | -9.4 | 111.2 | F135 W163 F164 Q165 R170 W171 | F135-R167 HydrophobicContact CD1-CG 3.98Å; F135-R167 HydrophobicContact CD2-CB 4.25Å; F135-R167 HydrophobicContact CD2-CG 3.65Å; F135-R167 HydrophobicContact CE1-CG 3.93Å; F135-R167 HydrophobicContact CE2-CB 4.09Å; F135-R167 HydrophobicContact CE2-CG 3.58Å; F135-R167 HydrophobicContact CG-CG 3.86Å; F135-R167 HydrophobicContact CZ-CG 3.73Å; W163-R167 HydrophobicContact CE3-CB 4.2Å; W163-R167 HydrophobicContact CH2-CB 4.14Å; W163-R167 HydrophobicContact CH2-CG 3.88Å; W163-R167 HydrophobicContact CZ2-CG 4.49Å; W163-R167 HydrophobicContact CZ3-CB 3.95Å; W163-R167 HydrophobicContact CZ3-CG 4.03Å; W163-R167 VanDerWaalsContact O-CB 3.29Å; W163-R167 WeakPolarHBondContact O-CB 3.49Å; W163-R167 PolarHBondContact O-N 3.34Å; F164-R167 PolarHBondContact O-N 2.93Å; Q165-R167 VanDerWaalsContact C-N 3.28Å; Q165-R167 PolarHBondContact O-N 3.12Å; R167-R170 PolarHBondContact O-N 3.1Å; R167-W171 WeakPolarHBondContact O-CB 3.42Å; R167-W171 PolarHBondContact O-N 3.07Å |
| 168 | R | 96.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.4 | -77.7 | -165.4 | -60.2 | -86.1 | -3.7 | 112.6 | F135 N139 F164 Q165 W171 K172 | F135-R168 HydrophobicContact CE2-CG 3.88Å; F135-R168 HydrophobicContact CZ-CG 4.25Å; N139-R168 PolarHBondContact O-NH1 3.42Å; N139-R168 WeakPolarHBondContact OD1-CD 3.38Å; N139-R168 WeakPolarHBondContact OD1-CG 3.25Å; F164-R168 WeakPolarHBondContact O-CG 3.43Å; F164-R168 PolarHBondContact O-N 3.43Å; Q165-R168 PolarHBondContact O-N 3.14Å; R168-W171 PolarHBondContact O-N 3.18Å; R168-K172 WeakPolarHBondContact O-CB 3.48Å; R168-K172 PolarHBondContact O-N 3.23Å |
| 169 | A | 96.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 66.8 Ų | 66.8 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.1 | -51.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F14 F18 Q165 N166 W171 K172 T173 | F14-A169 HydrophobicContact CE1-CB 3.62Å; F14-A169 HydrophobicContact CZ-CB 4.14Å; F18-A169 HydrophobicContact CE1-CB 4.2Å; F18-A169 HydrophobicContact CE2-CB 4.44Å; F18-A169 HydrophobicContact CZ-CB 3.82Å; Q165-A169 PolarHBondContact O-N 3.44Å; N166-A169 PolarHBondContact O-N 3.09Å; A169-W171 VanDerWaalsContact C-N 3.32Å; A169-W171 PolarHBondContact O-N 3.36Å; A169-K172 PolarHBondContact O-N 3.44Å; A169-K172 VanDerWaalsContact O-N 3.17Å; A169-T173 PolarHBondContact O-N 3.01Å; A169-T173 PolarHBondContact O-OG1 3.28Å; A169-T173 VanDerWaalsContact O-OG1 3.12Å |
| 170 | R | 96.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 71.5 Ų | 71.5 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 176.4 | -73.9 | -169.5 | -70 | -92.7 | 2.2 | 112.9 | N166 R167 K174 | N166-R170 WeakPolarHBondContact O-CG 3.39Å; N166-R170 PolarHBondContact O-N 3.42Å; R167-R170 PolarHBondContact O-N 3.1Å; R170-K174 WeakPolarHBondContact O-CB 3.46Å; R170-K174 PolarHBondContact O-N 3.06Å |
| 171 | W | 95.7 | Very high | 96.8 | Very high | 113 Ų | 113 | 74.6 Ų | 74.6 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.7 | 176.6 | 87.1 | 0 | 0 | 0 | 111.1 | R167 R168 A169 K174 Q175 | R167-W171 WeakPolarHBondContact O-CB 3.42Å; R167-W171 PolarHBondContact O-N 3.07Å; R168-W171 PolarHBondContact O-N 3.18Å; A169-W171 VanDerWaalsContact C-N 3.32Å; A169-W171 PolarHBondContact O-N 3.36Å; W171-K174 PolarHBondContact O-N 3.01Å; W171-Q175 HydrophobicContact CD2-CG 4.05Å; W171-Q175 HydrophobicContact CE3-CG 4.3Å; W171-Q175 HydrophobicContact CH2-CG 4.09Å; W171-Q175 HydrophobicContact CZ2-CG 3.81Å; W171-Q175 HydrophobicContact CZ3-CG 4.32Å; W171-Q175 WeakPolarHBondContact O-CG 3.46Å; W171-Q175 PolarHBondContact O-N 3.43Å |
| 172 | K | 95.8 | Very high | 96.9 | Very high | 99 Ų | 99 | 75 Ų | 75 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 179.3 | -173.7 | 61 | 175.8 | 171.4 | 0 | 111.9 | R168 A169 K174 Q175 L176 | R168-K172 WeakPolarHBondContact O-CB 3.48Å; R168-K172 PolarHBondContact O-N 3.23Å; A169-K172 PolarHBondContact O-N 3.44Å; A169-K172 VanDerWaalsContact O-N 3.17Å; K172-K174 PolarHBondContact O-N 3.45Å; K172-Q175 PolarHBondContact O-N 3.24Å; K172-L176 HydrophobicContact CG-CD1 4.36Å; K172-L176 WeakPolarHBondContact O-CG 3.18Å; K172-L176 PolarHBondContact O-N 3.11Å |
| 173 | T | 96.9 | Very high | 97 | Very high | 73 Ų | 73 | 77.1 Ų | 77.1 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 172.2 | -59 | 0 | 0 | 0 | 0 | 111 | A169 Q175 L176 E177 | A169-T173 PolarHBondContact O-N 3.01Å; A169-T173 PolarHBondContact O-OG1 3.28Å; A169-T173 VanDerWaalsContact O-OG1 3.12Å; T173-Q175 VanDerWaalsContact C-N 3.27Å; T173-Q175 PolarHBondContact O-N 3.12Å; T173-L176 PolarHBondContact O-N 2.9Å; T173-L176 VanDerWaalsContact O-N 3.12Å; T173-E177 WeakPolarHBondContact O-CG 3.46Å; T173-E177 PolarHBondContact O-N 3.27Å |
| 174 | K | 96.9 | Very high | 97.1 | Very high | 130 Ų | 130 | 82.6 Ų | 82.6 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.6 | -30.1 | 178.3 | -170.4 | 169.7 | -174.2 | 171.5 | 0 | 113.4 | R170 W171 K172 K178 | R170-K174 WeakPolarHBondContact O-CB 3.46Å; R170-K174 PolarHBondContact O-N 3.06Å; W171-K174 PolarHBondContact O-N 3.01Å; K172-K174 PolarHBondContact O-N 3.45Å; K174-K178 WeakPolarHBondContact O-CG 3.33Å; K174-K178 PolarHBondContact O-N 2.9Å |
| 175 | Q | 95.7 | Very high | 97.1 | Very high | 54 Ų | 54 | 90.3 Ų | 90.3 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70 | -47.5 | 171.6 | -66.7 | -58.2 | -21.5 | 0 | 0 | 111.1 | W171 K172 T173 E177 K178 D179 | W171-Q175 HydrophobicContact CD2-CG 4.05Å; W171-Q175 HydrophobicContact CE3-CG 4.3Å; W171-Q175 HydrophobicContact CH2-CG 4.09Å; W171-Q175 HydrophobicContact CZ2-CG 3.81Å; W171-Q175 HydrophobicContact CZ3-CG 4.32Å; W171-Q175 WeakPolarHBondContact O-CG 3.46Å; W171-Q175 PolarHBondContact O-N 3.43Å; K172-Q175 PolarHBondContact O-N 3.24Å; T173-Q175 VanDerWaalsContact C-N 3.27Å; T173-Q175 PolarHBondContact O-N 3.12Å; Q175-E177 VanDerWaalsContact C-N 3.31Å; Q175-E177 PolarHBondContact O-N 2.85Å; Q175-K178 WeakPolarHBondContact O-CB 3.2Å; Q175-K178 PolarHBondContact O-N 3.46Å; Q175-K178 VanDerWaalsContact O-N 3.07Å; Q175-D179 VanDerWaalsContact O-CG 3.25Å; Q175-D179 PolarHBondContact O-N 3.17Å |
| 176 | L | 97.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 94.2 Ų | 94.2 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 179 | -70.9 | 171.8 | 0 | 0 | 0 | 112.8 | K172 T173 K178 D179 Y180 | K172-L176 HydrophobicContact CG-CD1 4.36Å; K172-L176 WeakPolarHBondContact O-CG 3.18Å; K172-L176 PolarHBondContact O-N 3.11Å; T173-L176 PolarHBondContact O-N 2.9Å; T173-L176 VanDerWaalsContact O-N 3.12Å; L176-K178 VanDerWaalsContact C-N 3.35Å; L176-D179 PolarHBondContact O-N 2.93Å; L176-Y180 VanDerWaalsContact O-CB 3.24Å; L176-Y180 WeakPolarHBondContact O-CB 3.44Å; L176-Y180 PolarHBondContact O-N 3.24Å |
| 177 | E | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 173 | -72.5 | 166.7 | 177.6 | 0 | 0 | 111.3 | T173 Q175 Y180 D181 | T173-E177 WeakPolarHBondContact O-CG 3.46Å; T173-E177 PolarHBondContact O-N 3.27Å; Q175-E177 VanDerWaalsContact C-N 3.31Å; Q175-E177 PolarHBondContact O-N 2.85Å; E177-Y180 PolarHBondContact O-N 3.03Å; E177-D181 WeakPolarHBondContact O-CB 3.21Å; E177-D181 VanDerWaalsContact O-CG 3.27Å; E177-D181 PolarHBondContact O-N 3.36Å |
| 178 | K | 97.8 | Very high | 97.3 | Very high | 112 Ų | 112 | 96 Ų | 96 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 177.3 | -69.8 | 173.7 | 176.8 | -170.4 | 0 | 112.6 | K174 Q175 L176 Y180 D181 A182 | K174-K178 WeakPolarHBondContact O-CG 3.33Å; K174-K178 PolarHBondContact O-N 2.9Å; Q175-K178 WeakPolarHBondContact O-CB 3.2Å; Q175-K178 PolarHBondContact O-N 3.46Å; Q175-K178 VanDerWaalsContact O-N 3.07Å; L176-K178 VanDerWaalsContact C-N 3.35Å; K178-Y180 VanDerWaalsContact C-N 3.31Å; K178-D181 PolarHBondContact O-N 3.29Å; K178-A182 WeakPolarHBondContact O-CB 3.41Å; K178-A182 PolarHBondContact O-N 2.88Å |
| 179 | D | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 179 | -64.9 | -20.6 | 0 | 0 | 0 | 110.2 | Q175 L176 A182 L183 | Q175-D179 VanDerWaalsContact O-CG 3.25Å; Q175-D179 PolarHBondContact O-N 3.17Å; L176-D179 PolarHBondContact O-N 2.93Å; D179-A182 PolarHBondContact O-N 3.24Å; D179-L183 WeakPolarHBondContact O-CB 3.02Å; D179-L183 PolarHBondContact O-N 2.89Å |
| 180 | Y | 98.3 | Very high | 97.5 | Very high | 143 Ų | 143 | 98.5 Ų | 98.5 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 174 | 176.7 | -97.1 | 0 | 0 | 0 | 111.7 | L176 E177 K178 A182 L183 R184 | L176-Y180 VanDerWaalsContact O-CB 3.24Å; L176-Y180 WeakPolarHBondContact O-CB 3.44Å; L176-Y180 PolarHBondContact O-N 3.24Å; E177-Y180 PolarHBondContact O-N 3.03Å; K178-Y180 VanDerWaalsContact C-N 3.31Å; Y180-A182 VanDerWaalsContact C-N 3.29Å; Y180-A182 PolarHBondContact O-N 3.48Å; Y180-L183 PolarHBondContact O-N 3.33Å; Y180-R184 VanDerWaalsContact O-CB 3.3Å; Y180-R184 WeakPolarHBondContact O-CB 3.35Å; Y180-R184 PolarHBondContact O-N 3.48Å |
| 181 | D | 97.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 35% | 0.348 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 177.9 | -73 | -20.2 | 0 | 0 | 0 | 112.1 | E177 K178 R185 | E177-D181 WeakPolarHBondContact O-CB 3.21Å; E177-D181 VanDerWaalsContact O-CG 3.27Å; E177-D181 PolarHBondContact O-N 3.36Å; K178-D181 PolarHBondContact O-N 3.29Å; D181-R185 WeakPolarHBondContact O-CG 3.29Å; D181-R185 PolarHBondContact O-N 2.99Å; D181-R185 VanDerWaalsContact O-N 3.14Å; D181-R185 PolarHBondContact O-NH1 3.07Å |
| 182 | A | 98.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 96.9 Ų | 96.9 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K178 D179 Y180 R184 R185 Q186 | K178-A182 WeakPolarHBondContact O-CB 3.41Å; K178-A182 PolarHBondContact O-N 2.88Å; D179-A182 PolarHBondContact O-N 3.24Å; Y180-A182 VanDerWaalsContact C-N 3.29Å; Y180-A182 PolarHBondContact O-N 3.48Å; A182-R184 VanDerWaalsContact C-N 3.32Å; A182-R184 PolarHBondContact O-N 3.46Å; A182-R185 PolarHBondContact O-N 3.25Å; A182-Q186 WeakPolarHBondContact O-CG 3.45Å; A182-Q186 PolarHBondContact O-N 2.93Å |
| 183 | L | 98.3 | Very high | 97.8 | Very high | 108 Ų | 108 | 98.2 Ų | 98.2 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 178.2 | -176 | 61.1 | 0 | 0 | 0 | 111.8 | D179 Y180 Q186 L187 | D179-L183 WeakPolarHBondContact O-CB 3.02Å; D179-L183 PolarHBondContact O-N 2.89Å; Y180-L183 PolarHBondContact O-N 3.33Å; L183-Q186 WeakPolarHBondContact O-CB 3.18Å; L183-Q186 PolarHBondContact O-N 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3Å; L183-L187 PolarHBondContact O-N 2.96Å |
| 184 | R | 97.7 | Very high | 97.8 | Very high | 138 Ų | 138 | 99 Ų | 99 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 175.3 | -176.9 | 178 | 177.7 | -179.1 | 1.9 | 111.4 | Y180 A182 Q186 L187 D188 | Y180-R184 VanDerWaalsContact O-CB 3.3Å; Y180-R184 WeakPolarHBondContact O-CB 3.35Å; Y180-R184 PolarHBondContact O-N 3.48Å; A182-R184 VanDerWaalsContact C-N 3.32Å; A182-R184 PolarHBondContact O-N 3.46Å; R184-Q186 VanDerWaalsContact C-N 3.31Å; R184-Q186 PolarHBondContact O-N 3.38Å; R184-L187 PolarHBondContact O-N 3.39Å; R184-D188 PolarHBondContact O-N 2.92Å |
| 185 | R | 98.2 | Very high | 97.9 | Very high | 164 Ų | 164 | 97.8 Ų | 97.8 | 62% | 0.619 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 176.3 | -72.1 | -178.8 | -166.4 | 90.3 | 0.5 | 112.3 | D181 A182 D188 A189 | D181-R185 WeakPolarHBondContact O-CG 3.29Å; D181-R185 PolarHBondContact O-N 2.99Å; D181-R185 VanDerWaalsContact O-N 3.14Å; D181-R185 PolarHBondContact O-NH1 3.07Å; A182-R185 PolarHBondContact O-N 3.25Å; R185-D188 PolarHBondContact O-N 3.38Å; R185-A189 WeakPolarHBondContact O-CB 3.32Å; R185-A189 PolarHBondContact O-N 2.92Å |
| 186 | Q | 98.1 | Very high | 98 | Very high | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 175.8 | -72.4 | 177.6 | -18.2 | 0 | 0 | 111.9 | A182 L183 R184 A189 A190 | A182-Q186 WeakPolarHBondContact O-CG 3.45Å; A182-Q186 PolarHBondContact O-N 2.93Å; L183-Q186 WeakPolarHBondContact O-CB 3.18Å; L183-Q186 PolarHBondContact O-N 3.3Å; R184-Q186 VanDerWaalsContact C-N 3.31Å; R184-Q186 PolarHBondContact O-N 3.38Å; Q186-A189 PolarHBondContact O-N 2.82Å; Q186-A190 WeakPolarHBondContact O-CB 3.39Å; Q186-A190 PolarHBondContact O-N 3.5Å |
| 187 | L | 98.2 | Very high | 98 | Very high | 80 Ų | 80 | 98.3 Ų | 98.3 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 177.3 | 175.2 | 137.9 | 0 | 0 | 0 | 112.1 | L183 R184 A190 R191 | L183-L187 WeakPolarHBondContact O-CB 3Å; L183-L187 PolarHBondContact O-N 2.96Å; R184-L187 PolarHBondContact O-N 3.39Å; L187-A190 PolarHBondContact O-N 3.36Å; L187-R191 WeakPolarHBondContact O-CB 3.47Å; L187-R191 VanDerWaalsContact O-CG 3.26Å; L187-R191 WeakPolarHBondContact O-CG 3.44Å; L187-R191 PolarHBondContact O-N 3.45Å |
| 188 | D | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 98 Ų | 98 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 175.7 | -68.2 | -25.3 | 0 | 0 | 0 | 111.5 | R184 R185 R191 A192 | R184-D188 PolarHBondContact O-N 2.92Å; R185-D188 PolarHBondContact O-N 3.38Å; D188-R191 PolarHBondContact O-N 3.47Å; D188-R191 IonicContact OD1-NH1 3.98Å; D188-A192 PolarHBondContact O-N 3.31Å |
| 189 | A | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 96.6 Ų | 96.6 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R185 Q186 R191 A192 E193 | R185-A189 WeakPolarHBondContact O-CB 3.32Å; R185-A189 PolarHBondContact O-N 2.92Å; Q186-A189 PolarHBondContact O-N 2.82Å; A189-R191 VanDerWaalsContact C-N 3.32Å; A189-R191 PolarHBondContact O-N 3.27Å; A189-A192 PolarHBondContact O-N 2.96Å; A189-E193 PolarHBondContact O-N 2.9Å |
| 190 | A | 98.2 | Very high | 98 | Very high | 56 Ų | 56 | 97.4 Ų | 97.4 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q186 L187 N194 | Q186-A190 WeakPolarHBondContact O-CB 3.39Å; Q186-A190 PolarHBondContact O-N 3.5Å; L187-A190 PolarHBondContact O-N 3.36Å; A190-N194 WeakPolarHBondContact O-CB 3.37Å; A190-N194 PolarHBondContact O-N 3.48Å |
| 191 | R | 98.1 | Very high | 97.9 | Very high | 151 Ų | 151 | 94.5 Ų | 94.5 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 172.6 | -77.7 | 172.2 | 172.6 | 179.3 | -3.9 | 111.6 | L187 D188 A189 E193 N194 D195 | L187-R191 WeakPolarHBondContact O-CB 3.47Å; L187-R191 VanDerWaalsContact O-CG 3.26Å; L187-R191 WeakPolarHBondContact O-CG 3.44Å; L187-R191 PolarHBondContact O-N 3.45Å; D188-R191 PolarHBondContact O-N 3.47Å; D188-R191 IonicContact OD1-NH1 3.98Å; A189-R191 VanDerWaalsContact C-N 3.32Å; A189-R191 PolarHBondContact O-N 3.27Å; R191-E193 VanDerWaalsContact C-N 3.32Å; R191-E193 PolarHBondContact O-N 3.49Å; R191-N194 WeakPolarHBondContact O-CB 3.44Å; R191-N194 PolarHBondContact O-N 2.89Å; R191-N194 VanDerWaalsContact O-N 3.17Å; R191-D195 PolarHBondContact O-N 3.26Å |
| 192 | A | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D188 A189 A196 | D188-A192 PolarHBondContact O-N 3.31Å; A189-A192 PolarHBondContact O-N 2.96Å; A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 2.88Å |
| 193 | E | 98.1 | Very high | 97.9 | Very high | 127 Ų | 127 | 102.3 Ų | 102.3 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | 173.9 | -174.9 | 178.2 | -172.7 | 0 | 0 | 111.6 | A189 R191 D195 A196 L197 | A189-E193 PolarHBondContact O-N 2.9Å; R191-E193 VanDerWaalsContact C-N 3.32Å; R191-E193 PolarHBondContact O-N 3.49Å; E193-D195 PolarHBondContact O-N 3.02Å; E193-A196 PolarHBondContact O-N 3.17Å; E193-L197 HydrophobicContact CG-CD1 4.18Å; E193-L197 HydrophobicContact CG-CG 4.48Å; E193-L197 WeakPolarHBondContact O-CB 3.42Å; E193-L197 VanDerWaalsContact O-CG 3.32Å; E193-L197 WeakPolarHBondContact O-CG 3.35Å; E193-L197 PolarHBondContact O-N 2.73Å |
| 194 | N | 97.6 | Very high | 97.8 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -46 | 176.6 | -168 | -92.8 | 0 | 0 | 0 | 111.8 | A190 R191 A196 L197 L198 | A190-N194 WeakPolarHBondContact O-CB 3.37Å; A190-N194 PolarHBondContact O-N 3.48Å; R191-N194 WeakPolarHBondContact O-CB 3.44Å; R191-N194 PolarHBondContact O-N 2.89Å; R191-N194 VanDerWaalsContact O-N 3.17Å; N194-A196 VanDerWaalsContact C-N 3.33Å; N194-A196 PolarHBondContact O-N 3.26Å; N194-L197 PolarHBondContact O-N 2.83Å; N194-L198 WeakPolarHBondContact O-CB 3.49Å; N194-L198 WeakPolarHBondContact O-CG 3.37Å; N194-L198 PolarHBondContact O-N 3.02Å; N194-L198 WeakPolarHBondContact OD1-CD1 3.21Å |
| 195 | D | 98.2 | Very high | 97.6 | Very high | 103 Ų | 103 | 98.6 Ų | 98.6 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 177.2 | -70.5 | -22.1 | 0 | 0 | 0 | 111.6 | R191 E193 L198 S199 | R191-D195 PolarHBondContact O-N 3.26Å; E193-D195 PolarHBondContact O-N 3.02Å; D195-L198 PolarHBondContact O-N 3.12Å; D195-S199 WeakPolarHBondContact O-CB 3.5Å; D195-S199 PolarHBondContact O-N 3.47Å |
| 196 | A | 98 | Very high | 97.4 | Very high | 60 Ų | 60 | 94.7 Ų | 94.7 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A192 E193 N194 S199 H200 | A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 2.88Å; E193-A196 PolarHBondContact O-N 3.17Å; N194-A196 VanDerWaalsContact C-N 3.33Å; N194-A196 PolarHBondContact O-N 3.26Å; A196-S199 PolarHBondContact O-N 3.34Å; A196-H200 WeakPolarHBondContact O-CB 3.27Å; A196-H200 PolarHBondContact O-N 3.41Å |
| 197 | L | 98 | Very high | 97.2 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.2 | -73.8 | 173.3 | 0 | 0 | 0 | 112.1 | E193 N194 H200 N201 | E193-L197 HydrophobicContact CG-CD1 4.18Å; E193-L197 HydrophobicContact CG-CG 4.48Å; E193-L197 WeakPolarHBondContact O-CB 3.42Å; E193-L197 VanDerWaalsContact O-CG 3.32Å; E193-L197 WeakPolarHBondContact O-CG 3.35Å; E193-L197 PolarHBondContact O-N 2.73Å; N194-L197 PolarHBondContact O-N 2.83Å; L197-H200 PolarHBondContact O-N 3.37Å; L197-N201 VanDerWaalsContact O-CB 3.25Å; L197-N201 WeakPolarHBondContact O-CB 3.22Å; L197-N201 PolarHBondContact O-N 3.45Å |
| 198 | L | 97.5 | Very high | 96.9 | Very high | 105 Ų | 105 | 94 Ų | 94 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.7 | -74.4 | 175.2 | 0 | 0 | 0 | 111.4 | N194 D195 N201 K202 | N194-L198 WeakPolarHBondContact O-CB 3.49Å; N194-L198 WeakPolarHBondContact O-CG 3.37Å; N194-L198 PolarHBondContact O-N 3.02Å; N194-L198 WeakPolarHBondContact OD1-CD1 3.21Å; D195-L198 PolarHBondContact O-N 3.12Å; L198-N201 PolarHBondContact O-N 3.33Å; L198-K202 WeakPolarHBondContact O-CB 3.35Å; L198-K202 PolarHBondContact O-N 3.25Å |
| 199 | S | 97.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 97.1 Ų | 97.1 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | D195 A196 K202 K203 | D195-S199 WeakPolarHBondContact O-CB 3.5Å; D195-S199 PolarHBondContact O-N 3.47Å; A196-S199 PolarHBondContact O-N 3.34Å; S199-K202 PolarHBondContact O-N 3.23Å; S199-K203 PolarHBondContact O-N 2.86Å |
| 200 | H | 97.5 | Very high | 96.2 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.9 | -174.9 | 63.2 | 0 | 0 | 0 | 112 | A196 L197 K202 K203 L204 | A196-H200 WeakPolarHBondContact O-CB 3.27Å; A196-H200 PolarHBondContact O-N 3.41Å; L197-H200 PolarHBondContact O-N 3.37Å; H200-K202 PolarHBondContact O-N 3.02Å; H200-K203 WeakPolarHBondContact O-CB 3.44Å; H200-K203 PolarHBondContact O-N 2.81Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.41Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 3.46Å |
| 201 | N | 96.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.4 | -163.7 | -84.9 | 0 | 0 | 0 | 111.1 | L197 L198 K203 L204 Q205 | L197-N201 VanDerWaalsContact O-CB 3.25Å; L197-N201 WeakPolarHBondContact O-CB 3.22Å; L197-N201 PolarHBondContact O-N 3.45Å; L198-N201 PolarHBondContact O-N 3.33Å; N201-K203 VanDerWaalsContact C-N 3.33Å; N201-K203 PolarHBondContact O-N 3.48Å; N201-L204 PolarHBondContact O-N 2.97Å; N201-Q205 VanDerWaalsContact O-CG 3.31Å; N201-Q205 WeakPolarHBondContact O-CG 3.17Å; N201-Q205 PolarHBondContact O-N 3.42Å; N201-Q205 PolarHBondContact OD1-NE2 3.07Å |
| 202 | K | 97.6 | Very high | 95.3 | Very high | 149 Ų | 149 | 102.6 Ų | 102.6 | 65% | 0.648 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.9 | -43.4 | 174.8 | -174.6 | 177.2 | -179.4 | 177.2 | 0 | 111.7 | L198 S199 H200 Q205 T206 | L198-K202 WeakPolarHBondContact O-CB 3.35Å; L198-K202 PolarHBondContact O-N 3.25Å; S199-K202 PolarHBondContact O-N 3.23Å; H200-K202 PolarHBondContact O-N 3.02Å; K202-Q205 PolarHBondContact O-N 3.38Å; K202-T206 WeakPolarHBondContact O-CG2 3.44Å; K202-T206 PolarHBondContact O-N 3.48Å |
| 203 | K | 96.9 | Very high | 93.6 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.5 | -49.3 | 175.3 | -175.6 | -179.3 | 176.5 | -175.8 | 0 | 111.5 | S199 H200 N201 Q205 T206 E207 | S199-K203 PolarHBondContact O-N 2.86Å; H200-K203 WeakPolarHBondContact O-CB 3.44Å; H200-K203 PolarHBondContact O-N 2.81Å; N201-K203 VanDerWaalsContact C-N 3.33Å; N201-K203 PolarHBondContact O-N 3.48Å; K203-Q205 VanDerWaalsContact C-N 3.32Å; K203-Q205 PolarHBondContact O-N 2.88Å; K203-T206 PolarHBondContact O-N 3.02Å; K203-T206 VanDerWaalsContact O-N 3.13Å; K203-T206 PolarHBondContact O-OG1 2.89Å; K203-E207 WeakPolarHBondContact CE-OE1 3.34Å; K203-E207 PolarHBondContact O-N 3.28Å |
| 204 | L | 96.1 | Very high | 91.7 | Very high | 68 Ų | 68 | 100.7 Ų | 100.7 | 36% | 0.356 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.4 | -40.2 | 176.9 | -70.8 | 177 | 0 | 0 | 0 | 112.3 | H200 N201 T206 E207 I208 | H200-L204 WeakPolarHBondContact NE2-CD1 3.41Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 3.46Å; N201-L204 PolarHBondContact O-N 2.97Å; L204-T206 VanDerWaalsContact C-N 3.33Å; L204-T206 PolarHBondContact O-N 3.02Å; L204-E207 PolarHBondContact O-N 2.96Å; L204-I208 VanDerWaalsContact O-CG1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.45Å |
| 205 | Q | 94.9 | Very high | 89.5 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.4 | -43.3 | 174.7 | -73.4 | 178.6 | 8.5 | 0 | 0 | 111.6 | N201 K202 K203 I208 M209 | N201-Q205 VanDerWaalsContact O-CG 3.31Å; N201-Q205 WeakPolarHBondContact O-CG 3.17Å; N201-Q205 PolarHBondContact O-N 3.42Å; N201-Q205 PolarHBondContact OD1-NE2 3.07Å; K202-Q205 PolarHBondContact O-N 3.38Å; K203-Q205 VanDerWaalsContact C-N 3.32Å; K203-Q205 PolarHBondContact O-N 2.88Å; Q205-I208 PolarHBondContact O-N 3.09Å; Q205-M209 WeakPolarHBondContact O-CG 3.36Å; Q205-M209 PolarHBondContact O-N 3.32Å |
| 206 | T | 94.2 | Very high | 86.9 | Confident | 81 Ų | 81 | 98 Ų | 98 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.5 | -39.5 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | K202 K203 L204 M209 A210 | K202-T206 WeakPolarHBondContact O-CG2 3.44Å; K202-T206 PolarHBondContact O-N 3.48Å; K203-T206 PolarHBondContact O-N 3.02Å; K203-T206 VanDerWaalsContact O-N 3.13Å; K203-T206 PolarHBondContact O-OG1 2.89Å; L204-T206 VanDerWaalsContact C-N 3.33Å; L204-T206 PolarHBondContact O-N 3.02Å; T206-M209 PolarHBondContact O-N 3.24Å; T206-A210 WeakPolarHBondContact O-CB 3.49Å; T206-A210 PolarHBondContact O-N 3.25Å |
| 207 | E | 93.7 | Very high | 84.1 | Confident | 89 Ų | 89 | 99 Ų | 99 | 42% | 0.416 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.2 | -42.3 | 176.5 | -70.3 | 175.5 | -165.7 | 0 | 0 | 111.7 | K203 L204 M209 A210 L211 | K203-E207 WeakPolarHBondContact CE-OE1 3.34Å; K203-E207 PolarHBondContact O-N 3.28Å; L204-E207 PolarHBondContact O-N 2.96Å; E207-M209 PolarHBondContact O-N 3.22Å; E207-A210 PolarHBondContact O-N 3.24Å; E207-L211 WeakPolarHBondContact O-CG 3.37Å; E207-L211 PolarHBondContact O-N 2.73Å |
| 208 | I | 92.2 | Very high | 81.5 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.1 | -44.2 | 174.9 | -70.1 | 167.4 | 0 | 0 | 0 | 110.8 | L204 Q205 L211 K212 | L204-I208 VanDerWaalsContact O-CG1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.45Å; Q205-I208 PolarHBondContact O-N 3.09Å; I208-L211 PolarHBondContact O-N 3.4Å; I208-K212 WeakPolarHBondContact O-CB 3.27Å; I208-K212 PolarHBondContact O-N 2.77Å |
| 209 | M | 90.2 | Very high | 79 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.7 | -41.6 | 177.2 | -72.6 | -177.9 | -176 | 0 | 0 | 111.9 | Q205 T206 E207 K212 G213 | Q205-M209 WeakPolarHBondContact O-CG 3.36Å; Q205-M209 PolarHBondContact O-N 3.32Å; T206-M209 PolarHBondContact O-N 3.24Å; E207-M209 PolarHBondContact O-N 3.22Å; M209-K212 PolarHBondContact O-N 3.14Å; M209-G213 PolarHBondContact O-N 3.13Å |
| 210 | A | 91.2 | Very high | 76.1 | Confident | 73 Ų | 73 | 112.7 Ų | 112.7 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.4 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T206 E207 G214 | T206-A210 WeakPolarHBondContact O-CB 3.49Å; T206-A210 PolarHBondContact O-N 3.25Å; E207-A210 PolarHBondContact O-N 3.24Å; A210-G214 PolarHBondContact O-N 3.44Å |
| 211 | L | 89.6 | Confident | 73.3 | Confident | 139 Ų | 139 | 112.5 Ų | 112.5 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.2 | -38.5 | 177.7 | -68 | 173.9 | 0 | 0 | 0 | 112.2 | E207 I208 G213 G214 | E207-L211 WeakPolarHBondContact O-CG 3.37Å; E207-L211 PolarHBondContact O-N 2.73Å; I208-L211 PolarHBondContact O-N 3.4Å; L211-G213 VanDerWaalsContact C-N 3.31Å; L211-G213 PolarHBondContact O-N 2.95Å; L211-G214 PolarHBondContact O-N 2.95Å |
| 212 | K | 87.5 | Confident | 70.9 | Confident | 172 Ų | 172 | 112.8 Ų | 112.8 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.9 | -33 | 177.4 | -170.2 | 171.6 | -176.6 | 177.7 | 0 | 112.2 | I208 M209 | I208-K212 WeakPolarHBondContact O-CB 3.27Å; I208-K212 PolarHBondContact O-N 2.77Å; M209-K212 PolarHBondContact O-N 3.14Å |
| 213 | G | 63.3 | Low | 68.5 | Low | 71 Ų | 71 | 110.3 Ų | 110.3 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73.6 | -19.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | M209 L211 | M209-G213 PolarHBondContact O-N 3.13Å; L211-G213 VanDerWaalsContact C-N 3.31Å; L211-G213 PolarHBondContact O-N 2.95Å |
| 214 | G | 58.1 | Low | 66.1 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -97.9 | -8.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A210 L211 | A210-G214 PolarHBondContact O-N 3.44Å; L211-G214 PolarHBondContact O-N 2.95Å |
| 215 | G | 51.4 | Low | 63.9 | Low | 73 Ų | 73 | 117.9 Ų | 117.9 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -127.8 | 5.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 216 | G | 42.3 | Very low | 61.9 | Low | 64 Ų | 64 | 119.9 Ų | 119.9 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | -113.3 | 28.2 | -160 | 0 | 0 | 0 | 0 | 0 | 117.4 | R218 | G216-R218 PolarHBondContact O-N 2.96Å; G216-R218 VanDerWaalsContact O-N 3.11Å | ||
| 217 | G | 40 | Very low | 59.5 | Low | 80 Ų | 80 | 123.3 Ų | 123.3 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -79.9 | 58.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 218 | R | 42.3 | Very low | 57.5 | Low | 212 Ų | 212 | 126.5 Ų | 126.5 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -179.5 | 124.4 | 164.2 | -115.9 | 171.7 | 171.2 | -167.2 | -3.4 | 110.9 | G216 | G216-R218 PolarHBondContact O-N 2.96Å; G216-R218 VanDerWaalsContact O-N 3.11Å |
| 219 | Q | 45 | Very low | 55.4 | Low | 167 Ų | 167 | 126.7 Ų | 126.7 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 72.7 | 94.2 | 163.9 | -61.3 | 163.6 | 33.4 | 0 | 0 | 113.4 | ||||
| 220 | E | 36.3 | Very low | 53.4 | Low | 193 Ų | 193 | 126.3 Ų | 126.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | 29.2 | 119.9 | 69.3 | -149.5 | 179.9 | -166.3 | 0 | 0 | 113.3 | |||||
| 221 | A | 39.2 | Very low | 51.4 | Low | 103 Ų | 103 | 130 Ų | 130 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | 91.1 | 46.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 222 | A | 45.9 | Very low | 49.4 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -145.6 | 91.1 | 155 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 223 | S | 48.2 | Very low | 47.3 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 64.5 | 97.6 | 133.3 | -45.9 | 0 | 0 | 0 | 0 | 116 | L225 | S223-L225 PolarHBondContact O-N 3.26Š| ||
| 224 | E | 45.8 | Very low | 46.3 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | 34.6 | 86.1 | 86 | -66.2 | -173.5 | 158.6 | 0 | 0 | 110.4 | |||||
| 225 | L | 51.3 | Low | 45.6 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -175.5 | 120.8 | 153.9 | -92.9 | 150.5 | 0 | 0 | 0 | 108.3 | S223 | S223-L225 PolarHBondContact O-N 3.26Š| ||
| 226 | I | 52.5 | Low | 45.3 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 82 | 59.3 | 165.1 | -43.1 | 160.7 | 0 | 0 | 0 | 115.1 | L228 | I226-L228 PolarHBondContact O-N 3.02Š| ||
| 227 | N | 43 | Very low | 45 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -83.5 | 84.1 | 146.4 | -114 | -25.9 | 0 | 0 | 0 | 107.8 | ||||
| 228 | L | 52.1 | Low | 45 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -95.4 | 55.2 | 152.6 | -74.4 | 170.1 | 0 | 0 | 0 | 107.4 | I226 V230 | I226-L228 PolarHBondContact O-N 3.02Å; L228-V230 VanDerWaalsContact C-N 3.26Å; L228-V230 PolarHBondContact O-N 3.45Å | ||
| 229 | N | 47.4 | Very low | 44.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | trans | -69 | 96.5 | 158.1 | -166.2 | 38.9 | 0 | 0 | 0 | 105.1 | K231 | N229-K231 PolarHBondContact O-N 3.28Š| ||
| 230 | V | 49.9 | Very low | 44.7 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -53.9 | 97.4 | 156.6 | 169.1 | 0 | 0 | 0 | 0 | 104.1 | L228 E232 | L228-V230 VanDerWaalsContact C-N 3.26Å; L228-V230 PolarHBondContact O-N 3.45Å; V230-E232 PolarHBondContact O-N 2.88Å | ||
| 231 | K | 49.2 | Very low | 45.1 | Very low | 152 Ų | 152 | 135 Ų | 135 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -55.4 | 102.5 | -174.2 | -169.5 | -178.2 | -167.9 | -175.7 | 0 | 107.2 | N229 T233 | N229-K231 PolarHBondContact O-N 3.28Å; K231-T233 HydrophobicContact CD-CG2 3.64Å; K231-T233 HydrophobicContact CG-CG2 3.67Å; K231-T233 PolarHBondContact O-N 3.34Å | ||
| 232 | E | 46.3 | Very low | 45.3 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -60.7 | 75.5 | 153.8 | -62.7 | -178.7 | 148.8 | 0 | 0 | 106.4 | V230 | V230-E232 PolarHBondContact O-N 2.88Š| ||
| 233 | T | 44.1 | Very low | 45.3 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 51% | 0.509 | 76% | 0.755 | S | S | . | * | trans | -89 | 98.1 | 157.3 | 30.9 | 0 | 0 | 0 | 0 | 106.5 | K231 A235 | K231-T233 HydrophobicContact CD-CG2 3.64Å; K231-T233 HydrophobicContact CG-CG2 3.67Å; K231-T233 PolarHBondContact O-N 3.34Å; T233-A235 PolarHBondContact O-N 3.05Å | ||
| 234 | E | 41.8 | Very low | 45.5 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -49 | 87.4 | 148.4 | -47.1 | -169.7 | 176.4 | 0 | 0 | 108 | ||||
| 235 | A | 44.5 | Very low | 45.6 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 76% | 0.758 | S | S | * | * | trans | -141.1 | 96.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | T233 | T233-A235 PolarHBondContact O-N 3.05Š| ||
| 236 | S | 44.9 | Very low | 45.2 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 67.6 | 87.6 | 144.4 | -123.3 | 0 | 0 | 0 | 0 | 116.8 | S238 | S236-S238 PolarHBondContact O-N 3.13Š| ||
| 237 | C | 34.6 | Very low | 45.3 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 97% | 0.966 | 76% | 0.757 | S | S | * | * | trans | -71.2 | 100.1 | 156.5 | -50.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 238 | S | 41.1 | Very low | 45.7 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -163.5 | 112 | 157.7 | -167.4 | 0 | 0 | 0 | 0 | 113.1 | S236 | S236-S238 PolarHBondContact O-N 3.13Š| ||
| 239 | N | 39.4 | Very low | 46 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 49.8 | 111.6 | 142.1 | -73.4 | 17.9 | 0 | 0 | 0 | 123 | ||||
| 240 | R | 40.2 | Very low | 46 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | 81.3 | 145.7 | 115.5 | -70.3 | 178 | 156.4 | -107 | -6.4 | 121.3 | |||||
| 241 | S | 46.2 | Very low | 46.3 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 83.3 | 134.6 | 165.1 | 78.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 242 | S | 43.1 | Very low | 46.4 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | cis | -175.5 | 134.9 | 1.9 | 35.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 243 | D | 45.4 | Very low | 46.8 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 57.2 | 153.2 | 146.2 | -54.1 | -54.5 | 0 | 0 | 0 | 120.4 | ||||
| 244 | E | 52.5 | Low | 47 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 88.1 | 114.5 | 175.5 | -44.9 | -55.3 | 96.1 | 0 | 0 | 117.5 | ||||
| 245 | N | 47.2 | Very low | 47.5 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | 103.2 | 66.7 | 158.7 | -151.3 | 56.8 | 0 | 0 | 0 | 118.1 | ||||
| 246 | S | 43 | Very low | 48 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 128.2 | 147.5 | -79.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 247 | S | 55.3 | Low | 48.4 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | -141.4 | 101.5 | 149.7 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 248 | E | 50.7 | Low | 49.1 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | 3.6 | 119.1 | 156.1 | -66.6 | 161.1 | 119.4 | 0 | 0 | 118.7 | N250 | E248-N250 PolarHBondContact O-N 3.46Š| ||
| 249 | I | 59.1 | Low | 49.6 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -86.5 | 89.1 | 157.7 | 96 | 91.9 | 0 | 0 | 0 | 106.7 | L251 | I249-L251 HydrophobicContact CD1-CD1 3.4Å; I249-L251 VanDerWaalsContact CD1-CD1 3.4Å; I249-L251 HydrophobicContact CD1-CG 3.64Å; I249-L251 PolarHBondContact O-N 3.46Å | ||
| 250 | N | 46.7 | Very low | 50 | Low | 129 Ų | 129 | 142.7 Ų | 142.7 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -83 | 98.4 | 170.9 | -97.5 | -64.5 | 0 | 0 | 0 | 108.3 | E248 D252 | E248-N250 PolarHBondContact O-N 3.46Å; N250-D252 PolarHBondContact O-N 2.93Å | ||
| 251 | L | 57 | Low | 50.5 | Low | 137 Ų | 137 | 139.6 Ų | 139.6 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -80.2 | 87.7 | 165.6 | -79.6 | 158 | 0 | 0 | 0 | 108.3 | I249 I253 | I249-L251 HydrophobicContact CD1-CD1 3.4Å; I249-L251 VanDerWaalsContact CD1-CD1 3.4Å; I249-L251 HydrophobicContact CD1-CG 3.64Å; I249-L251 PolarHBondContact O-N 3.46Å; L251-I253 PolarHBondContact O-N 3.07Å | ||
| 252 | D | 50.7 | Low | 50.6 | Low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -76.4 | 102.2 | 171.3 | -168.3 | 1.2 | 0 | 0 | 0 | 109.5 | N250 S254 | N250-D252 PolarHBondContact O-N 2.93Å; D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 2.99Å; D252-S254 WeakPolarHBondContact OD1-CB 3.32Å; D252-S254 PolarHBondContact OD1-N 3.3Å; D252-S254 PolarHBondContact OD1-OG 3.39Å | ||
| 253 | I | 55.7 | Low | 50.8 | Low | 154 Ų | 154 | 144 Ų | 144 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -87.8 | 12.4 | -177.7 | -66.4 | 167.4 | 0 | 0 | 0 | 111.4 | L251 | L251-I253 PolarHBondContact O-N 3.07Š| ||
| 254 | S | 48.2 | Very low | 50.6 | Low | 98 Ų | 98 | 143.2 Ų | 143.2 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -101.5 | 14.1 | -167.2 | -48.3 | 0 | 0 | 0 | 0 | 116.7 | D252 P256 | D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 2.99Å; D252-S254 WeakPolarHBondContact OD1-CB 3.32Å; D252-S254 PolarHBondContact OD1-N 3.3Å; D252-S254 PolarHBondContact OD1-OG 3.39Å; S254-P256 WeakPolarHBondContact O-CD 3.4Å | ||
| 255 | R | 52.5 | Low | 50.4 | Low | 229 Ų | 229 | 139.3 Ų | 139.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -106.8 | 110.9 | -178.4 | -176.1 | 161.9 | -92.8 | -147.3 | -4.1 | 113.3 | ||||
| 256 | P | 55.4 | Low | 50.3 | Low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.5 | 166 | 30.3 | -31.2 | 0 | 0 | 0 | 110.2 | S254 R258 | S254-P256 WeakPolarHBondContact O-CD 3.4Å; P256-R258 PolarHBondContact O-N 3.11Å |
| 257 | P | 53.7 | Low | 50.4 | Low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 126.3 | -178.6 | 28.3 | -31.1 | 0 | 0 | 0 | 110.5 | ||
| 258 | R | 47.5 | Very low | 49.8 | Very low | 249 Ų | 249 | 142.1 Ų | 142.1 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 132.5 | 168 | -101.6 | -176.6 | 173.2 | -171.5 | -3.5 | 109.2 | P256 | P256-R258 PolarHBondContact O-N 3.11Š|
| 259 | A | 51.4 | Low | 49.5 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 260 | A | 48.3 | Very low | 48.8 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 121.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 261 | D | 50.4 | Low | 48.7 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -123.1 | 150.9 | 159.5 | -162 | 4 | 0 | 0 | 0 | 107.3 | ||||
| 262 | E | 48.3 | Very low | 48.2 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 86.5 | 85 | 177.5 | -51.5 | -158.1 | 105.3 | 0 | 0 | 119.1 | ||
| 263 | S | 48.2 | Very low | 48.2 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | 53.3 | 135 | 121.5 | -110.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 264 | P | 41.8 | Very low | 48.3 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -101.2 | 144.5 | -164.9 | 38.6 | -30.3 | 0 | 0 | 0 | 114 | ||||
| 265 | A | 47.3 | Very low | 48.1 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -149.4 | 120.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 266 | A | 44.7 | Very low | 47.9 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 49.6 | 111.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 267 | M | 46.4 | Very low | 47.2 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 94% | 0.941 | 82% | 0.82 | S | S | * | * | -172 | 138.1 | 110.9 | -92.8 | -65.4 | 157 | 0 | 0 | 109.5 | |||||
| 268 | D | 41.8 | Very low | 46.5 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -77.8 | 161.6 | -166.4 | -148.9 | -16.7 | 0 | 0 | 0 | 112.7 | ||||
| 269 | S | 45.8 | Very low | 46.3 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | 60.8 | 102.6 | 162.6 | -88.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 270 | Y | 43.3 | Very low | 45.7 | Very low | 217 Ų | 217 | 142.2 Ų | 142.2 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | 171 | 115.4 | 110.2 | -99.6 | -83.2 | 0 | 0 | 0 | 110 | |||||
| 271 | R | 45.5 | Very low | 45.3 | Very low | 246 Ų | 246 | 141.1 Ų | 141.1 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | 18.6 | 110.3 | 150.6 | -78.9 | 179.4 | 166.8 | -155.7 | -2.9 | 118.2 | ||||
| 272 | G | 46.2 | Very low | 44.9 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -156.7 | 94.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P274 | G272-P274 WeakPolarHBondContact O-CD 3.39Š| ||
| 273 | I | 49.4 | Very low | 44.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 119.3 | 174.2 | -62.1 | 174.7 | 0 | 0 | 0 | 107.8 | ||
| 274 | P | 57.7 | Low | 44.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 123.7 | 165.3 | 31 | -26.8 | 0 | 0 | 0 | 108.9 | G272 | G272-P274 WeakPolarHBondContact O-CD 3.39Š|
| 275 | F | 44.6 | Very low | 44.8 | Very low | 178 Ų | 178 | 141 Ų | 141 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 122.2 | -177.5 | -159.4 | -99.4 | 0 | 0 | 0 | 110.2 | ||
| 276 | Y | 48.3 | Very low | 44.7 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | 60 | 90.4 | 157.1 | -69.5 | -106.9 | 0 | 0 | 0 | 119.3 | ||||
| 277 | A | 39.9 | Very low | 44.6 | Very low | 106 Ų | 106 | 146 Ų | 146 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -92.5 | 107.2 | 135.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A279 | A277-A279 PolarHBondContact O-N 3.38Š| ||
| 278 | C | 40.3 | Very low | 44.4 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | trans | -94 | 89.4 | 167.9 | -158.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 279 | A | 42.5 | Very low | 44.3 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 119.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | A277 | A277-A279 PolarHBondContact O-N 3.38Š| ||
| 280 | R | 39.8 | Very low | 44.2 | Very low | 218 Ų | 218 | 146.5 Ų | 146.5 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | -119.2 | 95.9 | 160.2 | -76.8 | -83.5 | 154.6 | 96.3 | -4.6 | 106.5 | ||||
| 281 | A | 40.2 | Very low | 44.3 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -65.6 | 135.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 282 | D | 41.1 | Very low | 44.2 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 164.7 | 90.2 | 146.5 | -82 | -38.5 | 0 | 0 | 0 | 107.8 | ||||
| 283 | D | 46.5 | Very low | 43.8 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -140.2 | 89.8 | 147.9 | -145.7 | -71.2 | 0 | 0 | 0 | 106.4 | ||||
| 284 | V | 45.6 | Very low | 43.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -96 | 103.4 | 171.2 | -87.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 285 | D | 45.1 | Very low | 42.7 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -166.3 | 148.9 | 142.2 | -111.2 | -41.8 | 0 | 0 | 0 | 113.3 | ||||
| 286 | Q | 43.4 | Very low | 42.8 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 84.6 | 98.5 | 163.7 | -81.4 | -175.3 | 72.3 | 0 | 0 | 121.2 | ||||
| 287 | L | 42.6 | Very low | 42.8 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | 107 | 96.9 | 124.3 | -65.1 | 170.3 | 0 | 0 | 0 | 118.1 | |||||
| 288 | Q | 42.1 | Very low | 43.2 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | 66.5 | 118.1 | 121.3 | -78.3 | -173.9 | 60.9 | 0 | 0 | 119.7 | |||||
| 289 | L | 40.8 | Very low | 43.6 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 94.5 | 84.2 | 133.9 | -128.9 | 68.9 | 0 | 0 | 0 | 117.9 | ||||
| 290 | L | 43.3 | Very low | 44.2 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | 17.5 | 123 | 127 | -58.4 | 157.2 | 0 | 0 | 0 | 117.3 | |||||
| 291 | H | 45.6 | Very low | 44.5 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | 148.7 | 122.5 | 115 | -71.5 | 103.8 | 0 | 0 | 0 | 111.2 | |||||
| 292 | S | 44 | Very low | 45 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 59.6 | 105.7 | 142.8 | -45.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 293 | G | 38.1 | Very low | 45.3 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | 93.7 | 116.6 | 65 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 294 | G | 39.7 | Very low | 45.4 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 138.2 | 102.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 295 | H | 43.1 | Very low | 45.4 | Very low | 169 Ų | 169 | 130 Ų | 130 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -49.2 | 156.2 | 162.3 | -143 | -108.2 | 0 | 0 | 0 | 111.8 | ||||
| 296 | P | 47.5 | Very low | 45.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -152.4 | 166.9 | 89.6 | 34.6 | -12.8 | 0 | 0 | 0 | 117.6 | |||||
| 297 | S | 47.6 | Very low | 45.6 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -70.5 | 165.4 | 179.9 | -142.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 298 | P | 48 | Very low | 45.6 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -106.4 | 154.7 | -174.6 | 38 | -28 | 0 | 0 | 0 | 114.5 | ||||
| 299 | A | 49.7 | Very low | 45.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 176.3 | 156.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 300 | P | 54.8 | Low | 45.8 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -118.1 | 179.9 | -146.5 | 39.6 | -26.2 | 0 | 0 | 0 | 115.1 | ||||
| 301 | K | 44.9 | Very low | 45.6 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | 156.5 | 139.6 | 127.8 | -170.1 | 161.1 | -172.7 | 176 | 0 | 116 | |||||
| 302 | M | 50.8 | Low | 45.5 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 67.8 | 142.6 | 157.3 | -78.3 | 163.6 | 123.9 | 0 | 0 | 119.1 | ||||
| 303 | E | 48.9 | Very low | 45.2 | Very low | 170 Ų | 170 | 117.7 Ų | 117.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | -167.6 | 170.3 | -8.4 | -110.5 | -84.4 | 113.4 | 0 | 0 | 105.5 | ||||
| 304 | P | 48.9 | Very low | 45.1 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | -103 | 168.2 | -153.6 | 40.2 | -35.7 | 0 | 0 | 0 | 115.3 | ||||
| 305 | G | 45.1 | Very low | 45.1 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | -166 | 104.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 306 | H | 50.1 | Low | 44.8 | Very low | 196 Ų | 196 | 113.9 Ų | 113.9 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | 52.3 | 129.9 | 139 | -56.3 | 129.4 | 0 | 0 | 0 | 124.3 | ||||
| 307 | G | 41.8 | Very low | 44.3 | Very low | 79 Ų | 79 | 112 Ų | 112 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 90.3 | 146.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 308 | A | 43.3 | Very low | 44 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | cis | -172.7 | 154.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 309 | A | 41.1 | Very low | 43.6 | Very low | 100 Ų | 100 | 109.8 Ų | 109.8 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | 53.8 | 122.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 310 | A | 44.8 | Very low | 43.3 | Very low | 106 Ų | 106 | 108.7 Ų | 108.7 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | 175.7 | 142.6 | 98.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 311 | T | 39 | Very low | 43 | Very low | 140 Ų | 140 | 109.7 Ų | 109.7 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | -80 | 167.6 | -179.9 | -98.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 312 | A | 44.5 | Very low | 42.9 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | 91.8 | 132.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 313 | G | 37.5 | Very low | 42.6 | Very low | 76 Ų | 76 | 106.3 Ų | 106.3 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | cis | 131.4 | 112.8 | 14.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 314 | G | 36.5 | Very low | 42 | Very low | 88 Ų | 88 | 104 Ų | 104 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | trans | 83.9 | 132.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 315 | G | 38.1 | Very low | 42.2 | Very low | 82 Ų | 82 | 106.3 Ų | 106.3 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | 132.8 | 94.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 316 | G | 37.8 | Very low | 42.1 | Very low | 83 Ų | 83 | 110.7 Ų | 110.7 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | 84.7 | 105.3 | 120.2 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 317 | G | 37 | Very low | 41.4 | Very low | 87 Ų | 87 | 107.9 Ų | 107.9 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | 82.6 | 131.4 | 116.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 318 | G | 40.6 | Very low | 41.1 | Very low | 81 Ų | 81 | 107.8 Ų | 107.8 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | 149.2 | 107 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 319 | G | 39.5 | Very low | 40.7 | Very low | 90 Ų | 90 | 108.4 Ų | 108.4 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | trans | -66.3 | 168.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 320 | G | 44.7 | Very low | 40.8 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | 179.3 | 81 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 321 | T | 47.2 | Very low | 41.1 | Very low | 146 Ų | 146 | 107.7 Ų | 107.7 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | trans | -68.9 | 127.3 | 177.1 | 44 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 322 | F | 44.4 | Very low | 41.3 | Very low | 200 Ų | 200 | 108.4 Ų | 108.4 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -158.6 | 138.6 | 139.9 | 77.5 | -84.1 | 0 | 0 | 0 | 104.7 | ||||
| 323 | G | 42.7 | Very low | 41.5 | Very low | 68 Ų | 68 | 112.8 Ų | 112.8 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | cis | 158.8 | 100.6 | 14.9 | 0 | 0 | 0 | 0 | 0 | 102.7 | L325 | G323-L325 PolarHBondContact O-N 3.13Š| ||
| 324 | S | 37.7 | Very low | 41.7 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -54 | 130.3 | -179.9 | -68.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 325 | L | 51.7 | Low | 42.9 | Very low | 156 Ų | 156 | 117.1 Ų | 117.1 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | -143.3 | 109 | 146.1 | -78 | -178.8 | 0 | 0 | 0 | 110.3 | G323 | G323-L325 PolarHBondContact O-N 3.13Š| ||
| 326 | L | 43.6 | Very low | 44.2 | Very low | 155 Ų | 155 | 118 Ų | 118 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | 80.2 | 96.1 | 138.6 | -67.4 | 152.8 | 0 | 0 | 0 | 118.9 | ||||
| 327 | C | 36.7 | Very low | 44.7 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -52.1 | 128.8 | 150.3 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 328 | G | 35.5 | Very low | 45.5 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -133.5 | 106.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 329 | A | 34.9 | Very low | 46.3 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -71.2 | 130.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 330 | A | 43.3 | Very low | 46.8 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -153.3 | 92.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 331 | A | 49.6 | Very low | 47.1 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | 76.8 | 101.1 | 97.5 | 0 | 0 | 0 | 0 | 0 | 111 | E333 | A331-E333 PolarHBondContact O-N 3.02Å; A331-E333 VanDerWaalsContact O-N 3.11Å | |||
| 332 | D | 42.9 | Very low | 46.9 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -56.8 | 102.1 | 171.9 | -151.8 | -92.7 | 0 | 0 | 0 | 109.1 | Q334 | D332-Q334 PolarHBondContact O-N 2.91Š| ||
| 333 | E | 49.4 | Very low | 47.3 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -85.7 | 87.8 | 177.6 | -149.6 | -175.3 | 134.7 | 0 | 0 | 108.7 | A331 | A331-E333 PolarHBondContact O-N 3.02Å; A331-E333 VanDerWaalsContact O-N 3.11Å | ||
| 334 | Q | 42.7 | Very low | 47.5 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.6 | 165.7 | -95.4 | -89.2 | -34.8 | 0 | 0 | 109 | D332 | D332-Q334 PolarHBondContact O-N 2.91Š|
| 335 | P | 61.2 | Low | 48.1 | Very low | 99 Ų | 99 | 138 Ų | 138 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.4 | 177.9 | 26.3 | -32.7 | 0 | 0 | 0 | 110.5 | F337 | P335-F337 PolarHBondContact O-N 3.4Š|
| 336 | P | 64.5 | Low | 48 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123.7 | -170.9 | 22.6 | -31.4 | 0 | 0 | 0 | 112 | W338 | P336-W338 VanDerWaalsContact O-CD1 3.29Å; P336-W338 PolarHBondContact O-N 2.82Å |
| 337 | F | 48.4 | Very low | 48.4 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 121.2 | 169.5 | 176 | -106 | 0 | 0 | 0 | 109.7 | P335 P339 | P335-F337 PolarHBondContact O-N 3.4Å; F337-P339 HydrophobicContact CD1-CB 4.3Å; F337-P339 HydrophobicContact CD1-CG 4.23Å; F337-P339 HydrophobicContact CE1-CB 3.74Å; F337-P339 HydrophobicContact CE1-CG 4.11Å; F337-P339 HydrophobicContact CZ-CB 4.4Å; F337-P339 VanDerWaalsContact O-CD 3.25Å; F337-P339 WeakPolarHBondContact O-CD 3.36Å |
| 338 | W | 54.9 | Low | 49.3 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 102.4 | 173.7 | -63.5 | 91 | 0 | 0 | 0 | 109.7 | P336 W340 | P336-W338 VanDerWaalsContact O-CD1 3.29Å; P336-W338 PolarHBondContact O-N 2.82Å; W338-W340 PolarHBondContact O-N 3.13Å | ||
| 339 | P | 55.6 | Low | 50 | Low | 94 Ų | 94 | 145.4 Ų | 145.4 | 61% | 0.61 | 80% | 0.799 | S | S | * | * | trans | -85.9 | 106.1 | 170.5 | 31.4 | -26.6 | 0 | 0 | 0 | 108.7 | F337 | F337-P339 HydrophobicContact CD1-CB 4.3Å; F337-P339 HydrophobicContact CD1-CG 4.23Å; F337-P339 HydrophobicContact CE1-CB 3.74Å; F337-P339 HydrophobicContact CE1-CG 4.11Å; F337-P339 HydrophobicContact CZ-CB 4.4Å; F337-P339 VanDerWaalsContact O-CD 3.25Å; F337-P339 WeakPolarHBondContact O-CD 3.36Å | ||
| 340 | W | 50.4 | Low | 50.8 | Low | 228 Ų | 228 | 147.3 Ų | 147.3 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -81.2 | 120.9 | 161.3 | -56.8 | -21.5 | 0 | 0 | 0 | 107.4 | W338 D342 | W338-W340 PolarHBondContact O-N 3.13Å; W340-D342 PolarHBondContact O-N 2.67Å | ||
| 341 | A | 51.4 | Low | 51.2 | Low | 99 Ų | 99 | 150.3 Ų | 150.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -59.9 | 128.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G343 | A341-G343 PolarHBondContact O-N 3.45Š| ||
| 342 | D | 44.2 | Very low | 51.3 | Low | 150 Ų | 150 | 153.5 Ų | 153.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -61.1 | 98.2 | 163.5 | -82.6 | -54.3 | 0 | 0 | 0 | 109.6 | W340 H344 | W340-D342 PolarHBondContact O-N 2.67Å; D342-H344 VanDerWaalsContact C-N 3.29Å; D342-H344 PolarHBondContact O-N 3.32Å | ||
| 343 | G | 51 | Low | 51.8 | Low | 72 Ų | 72 | 153.3 Ų | 153.3 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 77.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A341 H345 | A341-G343 PolarHBondContact O-N 3.45Å; G343-H345 PolarHBondContact O-N 3.45Å; G343-H345 VanDerWaalsContact O-N 3.1Å | ||
| 344 | H | 47.6 | Very low | 52 | Low | 171 Ų | 171 | 150.9 Ų | 150.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -65.4 | 101 | 160.1 | -97 | -90.5 | 0 | 0 | 0 | 109 | D342 | D342-H344 VanDerWaalsContact C-N 3.29Å; D342-H344 PolarHBondContact O-N 3.32Å | ||
| 345 | H | 51.4 | Low | 52.6 | Low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -116.4 | 92.7 | 156.1 | -90.2 | -78.4 | 0 | 0 | 0 | 108.7 | G343 | G343-H345 PolarHBondContact O-N 3.45Å; G343-H345 VanDerWaalsContact O-N 3.1Å | ||
| 346 | A | 49.6 | Very low | 52 | Low | 92 Ų | 92 | 154.5 Ų | 154.5 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 120.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 347 | F | 51.8 | Low | 50.9 | Low | 190 Ų | 190 | 159 Ų | 159 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | trans | -129.1 | 143.4 | 157.4 | -137.4 | -93.1 | 0 | 0 | 0 | 107.3 | ||||
| 348 | Q | 54.6 | Low | 51.1 | Low | 254 Ų | 254 | 157 Ų | 157 | 100% | 1.187 | 82% | 0.817 | S | S | * | * | trans | -56.3 | 0 | -158.2 | -66.1 | 172.5 | 22.4 | 0 | 0 | 116.4 |
Retrieved 348 of 348 residues in 267.7 ms
(Link to these results)