| 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 | 38.7 | Very low | 38.5 | Very low | 239 Ų | 239 | 151 Ų | 151 | 100% | 1.177 | 84% | 0.843 | S | S | * | * | 0 | 130.8 | 0 | -77.4 | 79.6 | 174.2 | 0 | 0 | 108.8 | |||||
| 2 | N | 37.3 | Very low | 39.4 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | 10.4 | 139.8 | 165.5 | -73.8 | 5.8 | 0 | 0 | 0 | 124 | ||||
| 3 | H | 37.4 | Very low | 40.2 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | trans | -53.5 | 153.5 | 155.1 | -72.3 | 45.3 | 0 | 0 | 0 | 113 | ||||
| 4 | Q | 38 | Very low | 41.5 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | 175.1 | 131 | 98.6 | -136.5 | 94.5 | 8.8 | 0 | 0 | 110.1 | |||||
| 5 | A | 46.5 | Very low | 43.8 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 144.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | D | 37.6 | Very low | 45.8 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -107.5 | 129.4 | 169.5 | -167.2 | 20.8 | 0 | 0 | 0 | 109.9 | ||||
| 7 | N | 38.5 | Very low | 47.3 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 142 | -173.3 | -76.1 | -51 | 0 | 0 | 0 | 110 | ||||
| 8 | G | 35.7 | Very low | 49.1 | Very low | 64 Ų | 64 | 133.9 Ų | 133.9 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | 76.8 | 76.5 | 60 | 0 | 0 | 0 | 0 | 0 | 109.2 | H10 | G8-H10 PolarHBondContact O-N 3.32Å; G8-H10 VanDerWaalsContact O-N 3.12Å | |||
| 9 | A | 37.6 | Very low | 50.7 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -55.4 | 112.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | L11 | A9-L11 PolarHBondContact O-N 3.26Š| ||
| 10 | H | 35.2 | Very low | 52.1 | Low | 191 Ų | 191 | 129.1 Ų | 129.1 | 88% | 0.884 | 73% | 0.734 | S | S | * | * | trans | -80.5 | 106.2 | 174.7 | -133.3 | -78.2 | 0 | 0 | 0 | 108.2 | G8 A12 | G8-H10 PolarHBondContact O-N 3.32Å; G8-H10 VanDerWaalsContact O-N 3.12Å; H10-A12 PolarHBondContact O-N 3.19Å | ||
| 11 | L | 41.3 | Very low | 53.6 | Low | 158 Ų | 158 | 128 Ų | 128 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -56.8 | 125.7 | 158 | -82 | 147.3 | 0 | 0 | 0 | 107.2 | A9 E13 | A9-L11 PolarHBondContact O-N 3.26Å; L11-E13 PolarHBondContact O-N 3.3Å | ||
| 12 | A | 49.7 | Very low | 55.7 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 72% | 0.719 | 69% | 0.691 | S | S | * | * | trans | -64.6 | 102.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | H10 E14 | H10-A12 PolarHBondContact O-N 3.19Å; A12-E14 PolarHBondContact O-N 3.26Å | ||
| 13 | E | 49.1 | Very low | 57.8 | Low | 193 Ų | 193 | 117.4 Ų | 117.4 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | trans | -74.4 | 85.2 | 164.7 | -151.2 | 173.9 | -158.8 | 0 | 0 | 105.4 | L11 D15 | L11-E13 PolarHBondContact O-N 3.3Å; E13-D15 PolarHBondContact O-N 3.46Å; E13-D15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | E | 57.9 | Low | 59.8 | Low | 166 Ų | 166 | 113.4 Ų | 113.4 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | -61.4 | 114.3 | 171.9 | -86.4 | 179.5 | 158.3 | 0 | 0 | 108 | A12 P16 | A12-E14 PolarHBondContact O-N 3.26Å; E14-P16 WeakPolarHBondContact O-CD 3.44Å | ||
| 15 | D | 76.7 | Confident | 61.7 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | trans | -57.4 | 118.1 | 175 | 177.3 | 2.1 | 0 | 0 | 0 | 109.1 | E13 A17 A18 A19 | E13-D15 PolarHBondContact O-N 3.46Å; E13-D15 VanDerWaalsContact O-N 3.15Å; D15-A17 PolarHBondContact O-N 2.81Å; D15-A17 VanDerWaalsContact O-N 3.08Å; D15-A17 WeakPolarHBondContact OD1-CB 3.43Å; D15-A17 PolarHBondContact OD1-N 2.73Å; D15-A18 HydrophobicContact CB-CB 3.98Å; D15-A18 WeakPolarHBondContact O-CA 3.23Å; D15-A18 WeakPolarHBondContact O-CB 3.25Å; D15-A18 PolarHBondContact O-N 3.15Å; D15-A19 PolarHBondContact O-N 3.04Å; D15-A19 VanDerWaalsContact O-N 3.15Å | ||
| 16 | P | 76.3 | Confident | 63.2 | Low | 107 Ų | 107 | 111 Ų | 111 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.9 | -22.8 | 179.1 | 20.9 | -30.5 | 0 | 0 | 0 | 112.9 | E14 F20 | E14-P16 WeakPolarHBondContact O-CD 3.44Å; P16-F20 PolarHBondContact O-N 2.84Å |
| 17 | A | 70.7 | Confident | 64.9 | Low | 51 Ų | 51 | 108.8 Ų | 108.8 | 42% | 0.421 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.7 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D15 F20 L21 | D15-A17 PolarHBondContact O-N 2.81Å; D15-A17 VanDerWaalsContact O-N 3.08Å; D15-A17 WeakPolarHBondContact OD1-CB 3.43Å; D15-A17 PolarHBondContact OD1-N 2.73Å; A17-F20 PolarHBondContact O-N 3.11Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 3.29Å |
| 18 | A | 79.4 | Confident | 66.2 | Low | 52 Ų | 52 | 106.6 Ų | 106.6 | 43% | 0.43 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.5 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D15 F20 L21 A22 | D15-A18 HydrophobicContact CB-CB 3.98Å; D15-A18 WeakPolarHBondContact O-CA 3.23Å; D15-A18 WeakPolarHBondContact O-CB 3.25Å; D15-A18 PolarHBondContact O-N 3.15Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.39Å; A18-L21 PolarHBondContact O-N 2.93Å; A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.06Å |
| 19 | A | 79.3 | Confident | 67.9 | Low | 55 Ų | 55 | 106.2 Ų | 106.2 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.5 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D15 Q23 | D15-A19 PolarHBondContact O-N 3.04Å; D15-A19 VanDerWaalsContact O-N 3.15Å; A19-Q23 WeakPolarHBondContact O-CB 3.36Å; A19-Q23 PolarHBondContact O-N 3.42Å |
| 20 | F | 80.2 | Confident | 69 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67 | -41.7 | 176.7 | 179.2 | -97.6 | 0 | 0 | 0 | 112.7 | P16 A17 A18 Q23 Q24 | P16-F20 PolarHBondContact O-N 2.84Å; A17-F20 PolarHBondContact O-N 3.11Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.39Å; F20-Q23 PolarHBondContact O-N 3.43Å; F20-Q24 HydrophobicContact CD1-CG 4.24Å; F20-Q24 HydrophobicContact CE1-CG 3.8Å; F20-Q24 HydrophobicContact CE2-CG 4.35Å; F20-Q24 HydrophobicContact CZ-CG 3.86Å; F20-Q24 WeakPolarHBondContact O-CG 3.29Å; F20-Q24 PolarHBondContact O-N 3.11Å |
| 21 | L | 83.1 | Confident | 70.1 | Confident | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -43.3 | 176.3 | -72.1 | 172.2 | 0 | 0 | 0 | 111.7 | A17 A18 Q23 Q24 E25 | A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 3.29Å; A18-L21 PolarHBondContact O-N 2.93Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 2.79Å; L21-Q24 PolarHBondContact O-N 2.83Å; L21-E25 WeakPolarHBondContact O-CB 3.07Å; L21-E25 WeakPolarHBondContact O-CG 3.34Å; L21-E25 PolarHBondContact O-N 3.23Å |
| 22 | A | 81.4 | Confident | 70.8 | Confident | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A18 S26 | A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.06Å; A22-S26 WeakPolarHBondContact O-CB 3.23Å; A22-S26 PolarHBondContact O-N 3.19Å; A22-S26 PolarHBondContact O-OG 3.48Å |
| 23 | Q | 81.4 | Confident | 71.1 | Confident | 126 Ų | 126 | 102.9 Ų | 102.9 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -46.3 | 175 | -174.9 | 176.2 | -9.2 | 0 | 0 | 111.7 | A19 F20 L21 S26 E27 | A19-Q23 WeakPolarHBondContact O-CB 3.36Å; A19-Q23 PolarHBondContact O-N 3.42Å; F20-Q23 PolarHBondContact O-N 3.43Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 2.79Å; Q23-S26 PolarHBondContact O-N 3.43Å; Q23-S26 PolarHBondContact O-OG 2.79Å; Q23-E27 PolarHBondContact O-N 3.45Å |
| 24 | Q | 79.6 | Confident | 71.3 | Confident | 79 Ų | 79 | 99.9 Ų | 99.9 | 37% | 0.369 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -42.1 | 175.6 | -76.5 | -85.7 | -29.2 | 0 | 0 | 112.3 | F20 L21 S26 E27 I28 | F20-Q24 HydrophobicContact CD1-CG 4.24Å; F20-Q24 HydrophobicContact CE1-CG 3.8Å; F20-Q24 HydrophobicContact CE2-CG 4.35Å; F20-Q24 HydrophobicContact CZ-CG 3.86Å; F20-Q24 WeakPolarHBondContact O-CG 3.29Å; F20-Q24 PolarHBondContact O-N 3.11Å; L21-Q24 PolarHBondContact O-N 2.83Å; Q24-S26 VanDerWaalsContact C-N 3.32Å; Q24-S26 PolarHBondContact O-N 2.77Å; Q24-E27 PolarHBondContact O-N 2.8Å; Q24-I28 WeakPolarHBondContact O-CG1 3.2Å; Q24-I28 PolarHBondContact O-N 3.39Å |
| 25 | E | 78.3 | Confident | 71.3 | Confident | 138 Ų | 138 | 95.5 Ų | 95.5 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.5 | -40 | 175.2 | -76.8 | 177.8 | 177.8 | 0 | 0 | 111.7 | L21 A29 | L21-E25 WeakPolarHBondContact O-CB 3.07Å; L21-E25 WeakPolarHBondContact O-CG 3.34Å; L21-E25 PolarHBondContact O-N 3.23Å; E25-A29 VanDerWaalsContact O-CB 3.31Å; E25-A29 WeakPolarHBondContact O-CB 3.49Å; E25-A29 PolarHBondContact O-N 2.93Å |
| 26 | S | 77.9 | Confident | 70.3 | Confident | 79 Ų | 79 | 100.4 Ų | 100.4 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.4 | -32.8 | 176.3 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | A22 Q23 Q24 G30 | A22-S26 WeakPolarHBondContact O-CB 3.23Å; A22-S26 PolarHBondContact O-N 3.19Å; A22-S26 PolarHBondContact O-OG 3.48Å; Q23-S26 PolarHBondContact O-N 3.43Å; Q23-S26 PolarHBondContact O-OG 2.79Å; Q24-S26 VanDerWaalsContact C-N 3.32Å; Q24-S26 PolarHBondContact O-N 2.77Å; S26-G30 PolarHBondContact O-N 3.23Å |
| 27 | E | 74.6 | Confident | 69 | Low | 116 Ų | 116 | 98.5 Ų | 98.5 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.4 | -42.7 | 176.2 | -172.4 | 175.2 | 169.4 | 0 | 0 | 111.1 | Q23 Q24 G30 | Q23-E27 PolarHBondContact O-N 3.45Å; Q24-E27 PolarHBondContact O-N 2.8Å; E27-G30 PolarHBondContact O-N 3.42Å |
| 28 | I | 65 | Low | 67.5 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.1 | -41.4 | 176.6 | -67.7 | 170.1 | 0 | 0 | 0 | 111.4 | Q24 G30 I31 E32 | Q24-I28 WeakPolarHBondContact O-CG1 3.2Å; Q24-I28 PolarHBondContact O-N 3.39Å; I28-G30 PolarHBondContact O-N 2.6Å; I28-I31 PolarHBondContact O-N 2.84Å; I28-E32 PolarHBondContact O-N 3.1Å |
| 29 | A | 71.5 | Confident | 65.8 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.1 | -27.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E25 | E25-A29 VanDerWaalsContact O-CB 3.31Å; E25-A29 WeakPolarHBondContact O-CB 3.49Å; E25-A29 PolarHBondContact O-N 2.93Å |
| 30 | G | 60.7 | Low | 64.1 | Low | 38 Ų | 38 | 109.7 Ų | 109.7 | 39% | 0.392 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.9 | -32.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S26 E27 I28 | S26-G30 PolarHBondContact O-N 3.23Å; E27-G30 PolarHBondContact O-N 3.42Å; I28-G30 PolarHBondContact O-N 2.6Å |
| 31 | I | 57.9 | Low | 62 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 65% | 0.646 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -78.2 | -33.1 | -179.1 | -54.8 | 167.4 | 0 | 0 | 0 | 111.1 | I28 N33 | I28-I31 PolarHBondContact O-N 2.84Å; I31-N33 VanDerWaalsContact C-N 3.34Å |
| 32 | E | 55.8 | Low | 59.8 | Low | 172 Ų | 172 | 117 Ų | 117 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.8 | -19.8 | -178.9 | -155.6 | 172.1 | -163.4 | 0 | 0 | 113.2 | I28 | I28-E32 PolarHBondContact O-N 3.1Å |
| 33 | N | 56.3 | Low | 57.5 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -88.3 | -18 | 179.2 | -173.5 | 68.7 | 0 | 0 | 0 | 114.1 | I31 G35 | I31-N33 VanDerWaalsContact C-N 3.34Å; N33-G35 VanDerWaalsContact C-N 3.31Å; N33-G35 PolarHBondContact O-N 3.01Å |
| 34 | D | 53.2 | Low | 55.2 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | -91.8 | 62.5 | 176.7 | -71.9 | -14.2 | 0 | 0 | 0 | 110.9 | E36 | D34-E36 PolarHBondContact O-N 3.5Š| ||
| 35 | G | 57.5 | Low | 52.9 | Low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -69.1 | 26.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N33 | N33-G35 VanDerWaalsContact C-N 3.31Å; N33-G35 PolarHBondContact O-N 3.01Å | ||
| 36 | E | 55.8 | Low | 50.8 | Low | 197 Ų | 197 | 119.3 Ų | 119.3 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -135.5 | 71.2 | -179.3 | -67.8 | -166.6 | 154.3 | 0 | 0 | 111.6 | D34 | D34-E36 PolarHBondContact O-N 3.5Š|
| 37 | G | 48.8 | Very low | 48.8 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -163.5 | -5.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | G39 | G37-G39 VanDerWaalsContact C-N 3.27Å; G37-G39 PolarHBondContact O-N 2.71Å | ||
| 38 | F | 39.9 | Very low | 47 | Very low | 226 Ų | 226 | 127.9 Ų | 127.9 | 99% | 0.991 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 28.4 | -176.1 | -115.7 | -87.5 | 0 | 0 | 0 | 114.3 | ||
| 39 | G | 44.2 | Very low | 46.2 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 7.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G37 | G37-G39 VanDerWaalsContact C-N 3.27Å; G37-G39 PolarHBondContact O-N 2.71Å |
| 40 | A | 42.7 | Very low | 44.2 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -140.8 | 78.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 41 | L | 36.5 | Very low | 43 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -169.2 | 76.8 | 145.4 | -105.1 | 156.3 | 0 | 0 | 0 | 109.5 | ||||
| 42 | E | 36.1 | Very low | 42.2 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -89.2 | 122.2 | 156.5 | -175.6 | 170.3 | -174 | 0 | 0 | 107.9 | ||||
| 43 | G | 33.6 | Very low | 41.1 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 112.4 | 138.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 44 | A | 33.3 | Very low | 40.2 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | 86.5 | 94 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 45 | D | 32.2 | Very low | 39.4 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | 90.1 | 139.1 | 66.5 | -159.8 | 32.9 | 0 | 0 | 0 | 113.5 | |||||
| 46 | D | 34.3 | Very low | 38.3 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 71.3 | 105.8 | 171 | -75.2 | -46.4 | 0 | 0 | 0 | 121.9 | ||||
| 47 | M | 34.1 | Very low | 37.6 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | 179.8 | 138.2 | 95.1 | -89.5 | -158.9 | 77.9 | 0 | 0 | 113.1 | |||||
| 48 | Q | 37.5 | Very low | 37.3 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 170.1 | -175.3 | -106.3 | -172 | -73.7 | 0 | 0 | 116.5 | ||||
| 49 | P | 47.9 | Very low | 37.2 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 160.9 | -164.7 | 39.5 | -34.5 | 0 | 0 | 0 | 114.9 | ||||
| 50 | S | 30.5 | Very low | 37.2 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -172.4 | 150.6 | 158 | 110.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 51 | Q | 34.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -170 | 150 | -4.4 | -110.5 | 170.3 | 50.6 | 0 | 0 | 104.5 | ||||
| 52 | T | 40.3 | Very low | 37.6 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -59.3 | 135.2 | 170.4 | 48.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 53 | A | 34.4 | Very low | 37.6 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 51% | 0.512 | 77% | 0.77 | S | S | . | * | trans | -135.9 | 116.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y55 | A53-Y55 HydrophobicContact CB-CE1 3.62Å; A53-Y55 WeakPolarHBondContact O-CE2 3.47Å | ||
| 54 | N | 37.4 | Very low | 38 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -69.7 | 137.3 | 170.5 | -162.2 | 30.1 | 0 | 0 | 0 | 109 | ||||
| 55 | Y | 35.2 | Very low | 38.3 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -133.6 | 97.9 | 167.6 | -23 | -78 | 0 | 0 | 0 | 109 | A53 | A53-Y55 HydrophobicContact CB-CE1 3.62Å; A53-Y55 WeakPolarHBondContact O-CE2 3.47Å | ||
| 56 | E | 35.7 | Very low | 38.3 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -71 | 155.4 | 160.6 | -75.5 | 174.7 | 140.8 | 0 | 0 | 110.4 | ||||
| 57 | E | 40.4 | Very low | 39.2 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -37.2 | 162.9 | 172.2 | -90 | -133.2 | 146.7 | 0 | 0 | 117.3 | A59 | E57-A59 PolarHBondContact OE2-N 3.26Š| ||
| 58 | P | 42.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | -125 | 124 | 122 | 34.3 | -26.8 | 0 | 0 | 0 | 113.1 | |||||
| 59 | A | 38.4 | Very low | 40.1 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | trans | -57.2 | 131 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E57 | E57-A59 PolarHBondContact OE2-N 3.26Š| ||
| 60 | T | 42.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | -121.6 | 101.3 | 153.2 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | V | 45.5 | Very low | 40.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | -58.1 | 127.6 | 160 | 155.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | N | 42.1 | Very low | 41.4 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | 168.7 | 118.2 | 130.8 | -87.8 | -48 | 0 | 0 | 0 | 111.4 | ||||
| 63 | G | 36.1 | Very low | 42.3 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 173.6 | 50.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L65 | G63-L65 PolarHBondContact O-N 2.99Š| ||
| 64 | D | 41.9 | Very low | 43.5 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -69.7 | 111 | 166.1 | 179.8 | 27.1 | 0 | 0 | 0 | 109 | ||||
| 65 | L | 40.5 | Very low | 44.5 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | -167.5 | 107.5 | 143 | -153.6 | 63.5 | 0 | 0 | 0 | 108.6 | G63 | G63-L65 PolarHBondContact O-N 2.99Š| ||
| 66 | F | 33.1 | Very low | 45.8 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | 165.9 | 90.1 | 122.7 | -100.7 | -89.1 | 0 | 0 | 0 | 109.5 | E68 | F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 HydrophobicContact CD1-CB 4.44Å; F66-E68 HydrophobicContact CD1-CG 3.91Å; F66-E68 HydrophobicContact CE1-CG 4.35Å; F66-E68 WeakPolarHBondContact CE1-OE1 3.36Å; F66-E68 PolarHBondContact O-N 3.27Å | |||
| 67 | Q | 51.5 | Low | 47.3 | Very low | 196 Ų | 196 | 121.8 Ų | 121.8 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -72.9 | 92.1 | 151.7 | -177.8 | 163 | 6.2 | 0 | 0 | 107.7 | ||||
| 68 | E | 42.2 | Very low | 48.5 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | -104.6 | 97.8 | 165.8 | -110 | 178.3 | -157.4 | 0 | 0 | 109.5 | F66 N70 | F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 HydrophobicContact CD1-CB 4.44Å; F66-E68 HydrophobicContact CD1-CG 3.91Å; F66-E68 HydrophobicContact CE1-CG 4.35Å; F66-E68 WeakPolarHBondContact CE1-OE1 3.36Å; F66-E68 PolarHBondContact O-N 3.27Å; E68-N70 PolarHBondContact O-N 3.48Å | ||
| 69 | S | 48.5 | Very low | 49.5 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 111.9 | 156.9 | 60.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 70 | N | 40.5 | Very low | 50.9 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | trans | -126 | 113.9 | 160.8 | -83.1 | -54.5 | 0 | 0 | 0 | 108.9 | E68 | E68-N70 PolarHBondContact O-N 3.48Š| ||
| 71 | G | 50.9 | Low | 51.8 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 56% | 0.557 | 65% | 0.65 | S | S | * | * | trans | -67.3 | -164.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T73 | G71-T73 PolarHBondContact O-N 3.37Å; G71-T73 PolarHBondContact O-OG1 3.08Å | ||
| 72 | P | 49.9 | Very low | 52.6 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 95% | 0.948 | 64% | 0.637 | S | S | * | * | S | Bend | -62 | 16.3 | -121.2 | -20.1 | 32.2 | 0 | 0 | 0 | 120.1 | D74 | P72-D74 PolarHBondContact O-N 3.33Š| |
| 73 | T | 59 | Low | 53.5 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | trans | -97.7 | 84.5 | 172.4 | 29.4 | 0 | 0 | 0 | 0 | 109.1 | G71 S75 | G71-T73 PolarHBondContact O-N 3.37Å; G71-T73 PolarHBondContact O-OG1 3.08Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 2.92Å; T73-S75 PolarHBondContact O-OG 3.26Å | ||
| 74 | D | 59.7 | Low | 54.6 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | trans | -53.4 | 92.7 | 168.8 | -177.4 | 0.8 | 0 | 0 | 0 | 109.3 | P72 Y76 A77 A78 | P72-D74 PolarHBondContact O-N 3.33Å; D74-Y76 PolarHBondContact O-N 2.74Å; D74-Y76 WeakPolarHBondContact OD1-CA 3.34Å; D74-Y76 VanDerWaalsContact OD1-CB 3.25Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.31Å; D74-Y76 PolarHBondContact OD1-N 2.94Å; D74-Y76 VanDerWaalsContact OD1-N 3.15Å; D74-A77 HydrophobicContact CB-CB 3.66Å; D74-A77 PolarHBondContact O-N 2.94Å; D74-A77 PolarHBondContact OD1-N 2.94Å; D74-A77 WeakPolarHBondContact OD2-CB 3.08Å; D74-A78 PolarHBondContact O-N 3.28Å | ||
| 75 | S | 59 | Low | 55.3 | Low | 78 Ų | 78 | 110.2 Ų | 110.2 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.6 | -28.6 | 179.7 | -22.8 | 0 | 0 | 0 | 0 | 109.8 | T73 I79 | T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 2.92Å; T73-S75 PolarHBondContact O-OG 3.26Å; S75-I79 WeakPolarHBondContact O-CD1 3.38Å; S75-I79 VanDerWaalsContact O-CG1 3.23Å; S75-I79 WeakPolarHBondContact O-CG1 3.36Å; S75-I79 PolarHBondContact O-N 3.47Å; S75-I79 VanDerWaalsContact O-N 3.11Å |
| 76 | Y | 61.1 | Low | 56.1 | Low | 190 Ų | 190 | 113.1 Ų | 113.1 | 75% | 0.745 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.8 | -38.1 | 173.1 | -158.2 | -96.7 | 0 | 0 | 0 | 111.5 | D74 I79 A80 | D74-Y76 PolarHBondContact O-N 2.74Å; D74-Y76 WeakPolarHBondContact OD1-CA 3.34Å; D74-Y76 VanDerWaalsContact OD1-CB 3.25Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.31Å; D74-Y76 PolarHBondContact OD1-N 2.94Å; D74-Y76 VanDerWaalsContact OD1-N 3.15Å; Y76-I79 PolarHBondContact O-N 3.26Å; Y76-A80 WeakPolarHBondContact O-CB 3.32Å; Y76-A80 PolarHBondContact O-N 3.04Å |
| 77 | A | 67.7 | Low | 57.4 | Low | 33 Ų | 33 | 112.3 Ų | 112.3 | 27% | 0.273 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.6 | -35 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D74 A80 Q81 | D74-A77 HydrophobicContact CB-CB 3.66Å; D74-A77 PolarHBondContact O-N 2.94Å; D74-A77 PolarHBondContact OD1-N 2.94Å; D74-A77 WeakPolarHBondContact OD2-CB 3.08Å; A77-A80 PolarHBondContact O-N 3.15Å; A77-Q81 WeakPolarHBondContact O-CB 3.47Å; A77-Q81 VanDerWaalsContact O-CG 3.29Å; A77-Q81 WeakPolarHBondContact O-CG 3.07Å; A77-Q81 PolarHBondContact O-N 3.25Å |
| 78 | A | 65.8 | Low | 58 | Low | 56 Ų | 56 | 107.5 Ų | 107.5 | 46% | 0.463 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D74 Q81 V82 | D74-A78 PolarHBondContact O-N 3.28Å; A78-Q81 PolarHBondContact O-N 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.36Å; A78-V82 PolarHBondContact O-N 3.48Å |
| 79 | I | 64.5 | Low | 60 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 54% | 0.544 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -43.3 | 173.9 | -65.1 | 164.6 | 0 | 0 | 0 | 110.6 | S75 Y76 Q81 V82 D83 | S75-I79 WeakPolarHBondContact O-CD1 3.38Å; S75-I79 VanDerWaalsContact O-CG1 3.23Å; S75-I79 WeakPolarHBondContact O-CG1 3.36Å; S75-I79 PolarHBondContact O-N 3.47Å; S75-I79 VanDerWaalsContact O-N 3.11Å; Y76-I79 PolarHBondContact O-N 3.26Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 3.1Å; I79-V82 CarbonylContact O-C 3.58Å; I79-V82 PolarHBondContact O-N 3.25Å; I79-V82 VanDerWaalsContact O-N 3.11Å; I79-D83 PolarHBondContact O-N 3.02Å |
| 80 | A | 67.4 | Low | 61.5 | Low | 36 Ų | 36 | 104.6 Ų | 104.6 | 30% | 0.298 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y76 A77 D83 I84 | Y76-A80 WeakPolarHBondContact O-CB 3.32Å; Y76-A80 PolarHBondContact O-N 3.04Å; A77-A80 PolarHBondContact O-N 3.15Å; A80-D83 PolarHBondContact O-N 3.04Å; A80-I84 WeakPolarHBondContact O-CB 3.49Å; A80-I84 VanDerWaalsContact O-CD1 3.31Å; A80-I84 WeakPolarHBondContact O-CD1 3.46Å; A80-I84 WeakPolarHBondContact O-CG1 3.39Å; A80-I84 PolarHBondContact O-N 3.35Å |
| 81 | Q | 61 | Low | 63.6 | Low | 122 Ų | 122 | 103.3 Ų | 103.3 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -35.1 | 173.4 | -78.1 | -167.3 | 1.2 | 0 | 0 | 112.5 | A77 A78 I79 I84 Q85 | A77-Q81 WeakPolarHBondContact O-CB 3.47Å; A77-Q81 VanDerWaalsContact O-CG 3.29Å; A77-Q81 WeakPolarHBondContact O-CG 3.07Å; A77-Q81 PolarHBondContact O-N 3.25Å; A78-Q81 PolarHBondContact O-N 3.26Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 3.1Å; Q81-I84 PolarHBondContact O-N 2.98Å; Q81-Q85 WeakPolarHBondContact O-CB 3.42Å; Q81-Q85 VanDerWaalsContact O-CG 3.23Å; Q81-Q85 WeakPolarHBondContact O-CG 3.48Å; Q81-Q85 PolarHBondContact O-N 3.15Å |
| 82 | V | 61.5 | Low | 65.2 | Low | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.8 | -36.3 | 173.1 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | A78 I79 Q85 R86 | A78-V82 WeakPolarHBondContact O-CG2 3.36Å; A78-V82 PolarHBondContact O-N 3.48Å; I79-V82 CarbonylContact O-C 3.58Å; I79-V82 PolarHBondContact O-N 3.25Å; I79-V82 VanDerWaalsContact O-N 3.11Å; V82-Q85 CarbonylContact O-C 3.15Å; V82-Q85 WeakPolarHBondContact O-CB 3.37Å; V82-Q85 PolarHBondContact O-N 3.45Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 PolarHBondContact O-N 3.4Å |
| 83 | D | 61.7 | Low | 67 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.3 | -36.6 | 172.3 | -96 | -0.7 | 0 | 0 | 0 | 112.5 | I79 A80 Q85 R86 Q87 | I79-D83 PolarHBondContact O-N 3.02Å; A80-D83 PolarHBondContact O-N 3.04Å; D83-Q85 PolarHBondContact O-N 3.4Å; D83-R86 CarbonylContact O-C 3.6Å; D83-R86 PolarHBondContact O-N 2.89Å; D83-Q87 PolarHBondContact O-N 3.18Å; D83-Q87 VanDerWaalsContact O-N 3.1Å |
| 84 | I | 59.1 | Low | 68.6 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -33.9 | 168.9 | -69.6 | 160.3 | 0 | 0 | 0 | 110.3 | A80 Q81 Q87 | A80-I84 WeakPolarHBondContact O-CB 3.49Å; A80-I84 VanDerWaalsContact O-CD1 3.31Å; A80-I84 WeakPolarHBondContact O-CD1 3.46Å; A80-I84 WeakPolarHBondContact O-CG1 3.39Å; A80-I84 PolarHBondContact O-N 3.35Å; Q81-I84 PolarHBondContact O-N 2.98Å; I84-Q87 WeakPolarHBondContact O-CG 3.33Å |
| 85 | Q | 56.1 | Low | 70.3 | Confident | 156 Ų | 156 | 103.4 Ų | 103.4 | 73% | 0.729 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.6 | -27.6 | 173.7 | -72.2 | 170.4 | 26.4 | 0 | 0 | 113 | Q81 V82 D83 Q87 | Q81-Q85 WeakPolarHBondContact O-CB 3.42Å; Q81-Q85 VanDerWaalsContact O-CG 3.23Å; Q81-Q85 WeakPolarHBondContact O-CG 3.48Å; Q81-Q85 PolarHBondContact O-N 3.15Å; V82-Q85 CarbonylContact O-C 3.15Å; V82-Q85 WeakPolarHBondContact O-CB 3.37Å; V82-Q85 PolarHBondContact O-N 3.45Å; D83-Q85 PolarHBondContact O-N 3.4Å; Q85-Q87 VanDerWaalsContact C-N 3.28Å; Q85-Q87 PolarHBondContact O-N 2.91Å |
| 86 | R | 57.2 | Low | 72 | Confident | 197 Ų | 197 | 104.2 Ų | 104.2 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 28.6 | 170.6 | -83.6 | -174.3 | 166.2 | -150.1 | -0.9 | 112.3 | V82 D83 E88 | V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 PolarHBondContact O-N 3.4Å; D83-R86 CarbonylContact O-C 3.6Å; D83-R86 PolarHBondContact O-N 2.89Å; R86-E88 PolarHBondContact O-N 3.07Å |
| 87 | Q | 62.1 | Low | 73.6 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | trans | -43.8 | 133.7 | 167 | -76.4 | -127.1 | -34.2 | 0 | 0 | 108.8 | D83 I84 Q85 P89 | D83-Q87 PolarHBondContact O-N 3.18Å; D83-Q87 VanDerWaalsContact O-N 3.1Å; I84-Q87 WeakPolarHBondContact O-CG 3.33Å; Q85-Q87 VanDerWaalsContact C-N 3.28Å; Q85-Q87 PolarHBondContact O-N 2.91Å; Q87-P89 VanDerWaalsContact O-N 3.13Å | ||
| 88 | E | 63.6 | Low | 74.9 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | trans | -47.1 | 128.7 | 174.7 | -70.7 | -163 | 150.6 | 0 | 0 | 108.1 | R86 E90 L92 K96 | R86-E88 PolarHBondContact O-N 3.07Å; E88-E90 PolarHBondContact O-N 3.27Å; E88-L92 HydrophobicContact CB-CD2 4.37Å; E88-L92 HydrophobicContact CG-CD2 4.4Å; E88-K96 IonicContact OE1-NZ 2.6Å; E88-K96 PolarHBondContact OE1-NZ 3.43Å; E88-K96 IonicContact OE2-NZ 2.84Å; E88-K96 PolarHBondContact OE2-NZ 3.34Å | ||
| 89 | P | 82.8 | Confident | 76.4 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | trans | -50.3 | 135 | -179.7 | -26.6 | 32.7 | 0 | 0 | 0 | 109.3 | Q87 S91 L92 R93 | Q87-P89 VanDerWaalsContact O-N 3.13Å; P89-S91 CarbonylContact O-C 3.54Å; P89-S91 PolarHBondContact O-N 3Å; P89-L92 HydrophobicContact CB-CB 4.44Å; P89-L92 WeakPolarHBondContact O-CA 3.31Å; P89-L92 VanDerWaalsContact O-CB 3.32Å; P89-L92 WeakPolarHBondContact O-CB 3.45Å; P89-L92 PolarHBondContact O-N 3.02Å; P89-R93 PolarHBondContact O-N 2.87Å; P89-R93 VanDerWaalsContact O-N 3.1Å | ||
| 90 | E | 80.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 107 Ų | 107 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -52.2 | -27.9 | -179.3 | -79.9 | -69 | 144.3 | 0 | 0 | 112.7 | E88 R93 K94 | E88-E90 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-NE 3.75Å; E90-R93 IonicContact OE2-CZ 2.64Å; E90-R93 IonicContact OE2-NE 3.55Å; E90-R93 PolarHBondContact OE2-NE 3.03Å; E90-R93 IonicContact OE2-NH2 2.7Å; E90-R93 PolarHBondContact OE2-NH2 3.25Å; E90-K94 WeakPolarHBondContact O-CB 3.35Å; E90-K94 VanDerWaalsContact O-CG 3.28Å; E90-K94 WeakPolarHBondContact O-CG 3.43Å; E90-K94 PolarHBondContact O-N 3.4Å |
| 91 | S | 85.9 | Confident | 79.3 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 171.4 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | P89 W95 | P89-S91 CarbonylContact O-C 3.54Å; P89-S91 PolarHBondContact O-N 3Å; S91-W95 VanDerWaalsContact O-CB 3.28Å; S91-W95 WeakPolarHBondContact O-CB 3.37Å; S91-W95 PolarHBondContact O-N 2.86Å |
| 92 | L | 84.6 | Confident | 81 | Confident | 69 Ų | 69 | 110.2 Ų | 110.2 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 176.5 | -167.7 | 65.3 | 0 | 0 | 0 | 111.4 | E88 P89 W95 K96 | E88-L92 HydrophobicContact CB-CD2 4.37Å; E88-L92 HydrophobicContact CG-CD2 4.4Å; P89-L92 HydrophobicContact CB-CB 4.44Å; P89-L92 WeakPolarHBondContact O-CA 3.31Å; P89-L92 VanDerWaalsContact O-CB 3.32Å; P89-L92 WeakPolarHBondContact O-CB 3.45Å; P89-L92 PolarHBondContact O-N 3.02Å; L92-W95 HydrophobicContact CD1-CE3 4.34Å; L92-W95 PolarHBondContact O-N 3.4Å; L92-K96 WeakPolarHBondContact O-CG 3.28Å; L92-K96 PolarHBondContact O-N 3.12Å |
| 93 | R | 87.7 | Confident | 82.7 | Confident | 91 Ų | 91 | 111.7 Ų | 111.7 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -52 | 174.1 | -174.1 | -175.5 | 68 | 79.9 | 1.8 | 110.8 | P89 E90 W95 K96 E97 | P89-R93 PolarHBondContact O-N 2.87Å; P89-R93 VanDerWaalsContact O-N 3.1Å; E90-R93 IonicContact OE1-NE 3.75Å; E90-R93 IonicContact OE2-CZ 2.64Å; E90-R93 IonicContact OE2-NE 3.55Å; E90-R93 PolarHBondContact OE2-NE 3.03Å; E90-R93 IonicContact OE2-NH2 2.7Å; E90-R93 PolarHBondContact OE2-NH2 3.25Å; R93-W95 VanDerWaalsContact C-N 3.31Å; R93-W95 PolarHBondContact O-N 3.34Å; R93-K96 PolarHBondContact O-N 3.37Å; R93-E97 WeakPolarHBondContact CG-OE1 3.37Å; R93-E97 IonicContact CZ-OE1 3.9Å; R93-E97 IonicContact CZ-OE2 3.67Å; R93-E97 IonicContact NH1-OE1 2.74Å; R93-E97 PolarHBondContact NH1-OE1 3.29Å; R93-E97 IonicContact NH1-OE2 3.92Å; R93-E97 PolarHBondContact NH1-OE2 3.44Å; R93-E97 WeakPolarHBondContact O-CG 3.41Å; R93-E97 PolarHBondContact O-N 2.93Å |
| 94 | K | 92.1 | Very high | 84.4 | Confident | 112 Ų | 112 | 112.6 Ų | 112.6 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 175.9 | -75.2 | 179.4 | -179.7 | -175.1 | 0 | 111.9 | E90 K96 E97 E98 | E90-K94 WeakPolarHBondContact O-CB 3.35Å; E90-K94 VanDerWaalsContact O-CG 3.28Å; E90-K94 WeakPolarHBondContact O-CG 3.43Å; E90-K94 PolarHBondContact O-N 3.4Å; K94-K96 PolarHBondContact O-N 2.96Å; K94-E97 PolarHBondContact O-N 3.48Å; K94-E98 WeakPolarHBondContact O-CB 3.47Å; K94-E98 VanDerWaalsContact O-CG 3.26Å; K94-E98 WeakPolarHBondContact O-CG 3.21Å; K94-E98 PolarHBondContact O-N 2.87Å |
| 95 | W | 94.5 | Very high | 86.2 | Confident | 140 Ų | 140 | 110 Ų | 110 | 53% | 0.53 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 178.7 | -178.7 | 81.1 | 0 | 0 | 0 | 112.6 | S91 L92 R93 E98 Q99 | S91-W95 VanDerWaalsContact O-CB 3.28Å; S91-W95 WeakPolarHBondContact O-CB 3.37Å; S91-W95 PolarHBondContact O-N 2.86Å; L92-W95 HydrophobicContact CD1-CE3 4.34Å; L92-W95 PolarHBondContact O-N 3.4Å; R93-W95 VanDerWaalsContact C-N 3.31Å; R93-W95 PolarHBondContact O-N 3.34Å; W95-E98 PolarHBondContact O-N 2.93Å; W95-Q99 HydrophobicContact CD2-CG 4.03Å; W95-Q99 HydrophobicContact CE3-CG 4.44Å; W95-Q99 HydrophobicContact CH2-CG 4.18Å; W95-Q99 HydrophobicContact CZ2-CG 3.73Å; W95-Q99 WeakPolarHBondContact O-CB 3.28Å; W95-Q99 WeakPolarHBondContact O-CG 3.4Å; W95-Q99 PolarHBondContact O-N 2.9Å |
| 96 | K | 94.8 | Very high | 88.2 | Confident | 95 Ų | 95 | 108 Ų | 108 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175 | -74.5 | -178.9 | -178.4 | 173.6 | 0 | 112.1 | E88 L92 R93 K94 Q99 K100 | E88-K96 IonicContact OE1-NZ 2.6Å; E88-K96 PolarHBondContact OE1-NZ 3.43Å; E88-K96 IonicContact OE2-NZ 2.84Å; E88-K96 PolarHBondContact OE2-NZ 3.34Å; L92-K96 WeakPolarHBondContact O-CG 3.28Å; L92-K96 PolarHBondContact O-N 3.12Å; R93-K96 PolarHBondContact O-N 3.37Å; K94-K96 PolarHBondContact O-N 2.96Å; K96-Q99 PolarHBondContact O-N 2.89Å; K96-K100 WeakPolarHBondContact O-CB 3.28Å; K96-K100 PolarHBondContact O-N 2.87Å |
| 97 | E | 94.3 | Very high | 90.1 | Very high | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.4 | -73.8 | 171.1 | -173.2 | 0 | 0 | 111.2 | R93 K94 K100 A101 | R93-E97 WeakPolarHBondContact CG-OE1 3.37Å; R93-E97 IonicContact CZ-OE1 3.9Å; R93-E97 IonicContact CZ-OE2 3.67Å; R93-E97 IonicContact NH1-OE1 2.74Å; R93-E97 PolarHBondContact NH1-OE1 3.29Å; R93-E97 IonicContact NH1-OE2 3.92Å; R93-E97 PolarHBondContact NH1-OE2 3.44Å; R93-E97 WeakPolarHBondContact O-CG 3.41Å; R93-E97 PolarHBondContact O-N 2.93Å; K94-E97 PolarHBondContact O-N 3.48Å; E97-K100 PolarHBondContact O-N 2.83Å; E97-A101 VanDerWaalsContact O-CB 3.28Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 2.98Å |
| 98 | E | 95 | Very high | 91.8 | Very high | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 176.5 | -74.3 | 170.7 | -168.2 | 0 | 0 | 112.3 | K94 W95 A101 R102 | K94-E98 WeakPolarHBondContact O-CB 3.47Å; K94-E98 VanDerWaalsContact O-CG 3.26Å; K94-E98 WeakPolarHBondContact O-CG 3.21Å; K94-E98 PolarHBondContact O-N 2.87Å; W95-E98 PolarHBondContact O-N 2.93Å; E98-A101 PolarHBondContact O-N 3.02Å; E98-R102 WeakPolarHBondContact O-CB 3.32Å; E98-R102 PolarHBondContact O-N 3.45Å |
| 99 | Q | 96.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 98.2 Ų | 98.2 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.3 | -74.7 | -56 | -56.1 | 0 | 0 | 111.9 | W95 K96 R102 L103 | W95-Q99 HydrophobicContact CD2-CG 4.03Å; W95-Q99 HydrophobicContact CE3-CG 4.44Å; W95-Q99 HydrophobicContact CH2-CG 4.18Å; W95-Q99 HydrophobicContact CZ2-CG 3.73Å; W95-Q99 WeakPolarHBondContact O-CB 3.28Å; W95-Q99 WeakPolarHBondContact O-CG 3.4Å; W95-Q99 PolarHBondContact O-N 2.9Å; K96-Q99 PolarHBondContact O-N 2.89Å; Q99-R102 PolarHBondContact O-N 3.48Å; Q99-L103 PolarHBondContact O-N 2.74Å |
| 100 | K | 96.3 | Very high | 94.1 | Very high | 152 Ų | 152 | 98.1 Ų | 98.1 | 66% | 0.661 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 175.6 | -176.2 | -179.1 | 177.8 | -176.3 | 0 | 111 | K96 E97 R102 L103 E104 | K96-K100 WeakPolarHBondContact O-CB 3.28Å; K96-K100 PolarHBondContact O-N 2.87Å; E97-K100 PolarHBondContact O-N 2.83Å; K100-R102 VanDerWaalsContact C-N 3.34Å; K100-R102 PolarHBondContact O-N 3.27Å; K100-L103 PolarHBondContact O-N 3.02Å; K100-E104 WeakPolarHBondContact O-CB 3.43Å; K100-E104 PolarHBondContact O-N 3.38Å |
| 101 | A | 97 | Very high | 94.9 | Very high | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E97 E98 E104 A105 | E97-A101 VanDerWaalsContact O-CB 3.28Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 2.98Å; E98-A101 PolarHBondContact O-N 3.02Å; A101-E104 PolarHBondContact O-N 3.36Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 3.42Å |
| 102 | R | 97.3 | Very high | 95.5 | Very high | 174 Ų | 174 | 98.7 Ų | 98.7 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 175.8 | -177.1 | 176.5 | 178.9 | 165.9 | -1.8 | 112 | E98 Q99 K100 A105 L106 | E98-R102 WeakPolarHBondContact O-CB 3.32Å; E98-R102 PolarHBondContact O-N 3.45Å; Q99-R102 PolarHBondContact O-N 3.48Å; K100-R102 VanDerWaalsContact C-N 3.34Å; K100-R102 PolarHBondContact O-N 3.27Å; R102-A105 PolarHBondContact O-N 2.95Å; R102-L106 PolarHBondContact O-N 3.29Å |
| 103 | L | 97.2 | Very high | 96.1 | Very high | 105 Ų | 105 | 97 Ų | 97 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.5 | -79.9 | 167.2 | 0 | 0 | 0 | 111.4 | Q99 K100 A105 L106 D107 | Q99-L103 PolarHBondContact O-N 2.74Å; K100-L103 PolarHBondContact O-N 3.02Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 2.94Å; L103-L106 WeakPolarHBondContact O-CB 3.26Å; L103-L106 PolarHBondContact O-N 2.68Å; L103-L106 VanDerWaalsContact O-N 3.12Å; L103-D107 PolarHBondContact O-N 3.33Å |
| 104 | E | 97 | Very high | 96.6 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 177.6 | -176.7 | 171.6 | -161.2 | 0 | 0 | 112.4 | K100 A101 S108 | K100-E104 WeakPolarHBondContact O-CB 3.43Å; K100-E104 PolarHBondContact O-N 3.38Å; A101-E104 PolarHBondContact O-N 3.36Å; E104-S108 VanDerWaalsContact O-CB 3.28Å; E104-S108 WeakPolarHBondContact O-CB 3.33Å; E104-S108 PolarHBondContact O-N 2.9Å; E104-S108 PolarHBondContact O-OG 3.44Å |
| 105 | A | 97.6 | Very high | 96.9 | Very high | 59 Ų | 59 | 94.1 Ų | 94.1 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A101 R102 L103 S108 A109 | A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 3.42Å; R102-A105 PolarHBondContact O-N 2.95Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 2.94Å; A105-S108 PolarHBondContact O-N 3.48Å; A105-A109 WeakPolarHBondContact O-CB 3.46Å; A105-A109 PolarHBondContact O-N 2.88Å |
| 106 | L | 97.9 | Very high | 97 | Very high | 115 Ų | 115 | 93.8 Ų | 93.8 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -45.8 | 177.3 | -150.2 | 101.6 | 0 | 0 | 0 | 111.3 | R102 L103 S108 A109 S110 | R102-L106 PolarHBondContact O-N 3.29Å; L103-L106 WeakPolarHBondContact O-CB 3.26Å; L103-L106 PolarHBondContact O-N 2.68Å; L103-L106 VanDerWaalsContact O-N 3.12Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.43Å; L106-A109 PolarHBondContact O-N 3Å; L106-S110 WeakPolarHBondContact O-CB 3.36Å; L106-S110 PolarHBondContact O-N 2.92Å |
| 107 | D | 97.8 | Very high | 97.2 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.3 | -77.4 | -6.5 | 0 | 0 | 0 | 111.5 | L103 S110 K111 | L103-D107 PolarHBondContact O-N 3.33Å; D107-S110 PolarHBondContact O-N 2.64Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 2.94Å |
| 108 | S | 97.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 178 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | E104 A105 L106 K111 A112 | E104-S108 VanDerWaalsContact O-CB 3.28Å; E104-S108 WeakPolarHBondContact O-CB 3.33Å; E104-S108 PolarHBondContact O-N 2.9Å; E104-S108 PolarHBondContact O-OG 3.44Å; A105-S108 PolarHBondContact O-N 3.48Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.43Å; S108-K111 PolarHBondContact O-N 3.12Å; S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 3.49Å |
| 109 | A | 97.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 99.1 Ų | 99.1 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A105 L106 A112 A113 | A105-A109 WeakPolarHBondContact O-CB 3.46Å; A105-A109 PolarHBondContact O-N 2.88Å; L106-A109 PolarHBondContact O-N 3Å; A109-A112 PolarHBondContact O-N 3.42Å; A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 3.27Å |
| 110 | S | 96.8 | Very high | 97.6 | Very high | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 176 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | L106 D107 A112 A113 E114 | L106-S110 WeakPolarHBondContact O-CB 3.36Å; L106-S110 PolarHBondContact O-N 2.92Å; D107-S110 PolarHBondContact O-N 2.64Å; S110-A112 VanDerWaalsContact C-N 3.31Å; S110-A112 PolarHBondContact O-N 3.02Å; S110-A113 PolarHBondContact O-N 3.45Å; S110-E114 WeakPolarHBondContact O-CB 3.3Å; S110-E114 PolarHBondContact O-N 2.76Å |
| 111 | K | 97.9 | Very high | 97.7 | Very high | 141 Ų | 141 | 98.1 Ų | 98.1 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 177.3 | -73.2 | 170.3 | -176.5 | 169.4 | 0 | 112.3 | D107 S108 A115 | D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 2.94Å; S108-K111 PolarHBondContact O-N 3.12Å; K111-A115 WeakPolarHBondContact O-CB 3.38Å; K111-A115 PolarHBondContact O-N 3.35Å |
| 112 | A | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 100.7 Ų | 100.7 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S108 A109 S110 E114 A115 E116 | S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 3.49Å; A109-A112 PolarHBondContact O-N 3.42Å; S110-A112 VanDerWaalsContact C-N 3.31Å; S110-A112 PolarHBondContact O-N 3.02Å; A112-E114 VanDerWaalsContact C-N 3.35Å; A112-E114 PolarHBondContact O-N 3.44Å; A112-A115 PolarHBondContact O-N 3.02Å; A112-E116 PolarHBondContact O-N 2.9Å |
| 113 | A | 97.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 98.5 Ų | 98.5 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A109 S110 A115 E116 W117 | A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 3.27Å; S110-A113 PolarHBondContact O-N 3.45Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.47Å; A113-E116 PolarHBondContact O-N 2.91Å; A113-W117 PolarHBondContact O-N 3.28Å |
| 114 | E | 97.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 99.9 Ų | 99.9 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176 | -167 | -169 | 150.4 | 0 | 0 | 111.9 | S110 A112 R118 | S110-E114 WeakPolarHBondContact O-CB 3.3Å; S110-E114 PolarHBondContact O-N 2.76Å; A112-E114 VanDerWaalsContact C-N 3.35Å; A112-E114 PolarHBondContact O-N 3.44Å; E114-R118 WeakPolarHBondContact O-CB 3.33Å; E114-R118 PolarHBondContact O-N 3.04Å; E114-R118 PolarHBondContact O-NH1 2.92Å; E114-R118 IonicContact OE1-CZ 3.56Å; E114-R118 IonicContact OE1-NH2 3.32Å; E114-R118 PolarHBondContact OE1-NH2 2.96Å |
| 115 | A | 98 | Very high | 97.9 | Very high | 45 Ų | 45 | 98.7 Ų | 98.7 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K111 A112 A113 R118 E119 | K111-A115 WeakPolarHBondContact O-CB 3.38Å; K111-A115 PolarHBondContact O-N 3.35Å; A112-A115 PolarHBondContact O-N 3.02Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.47Å; A115-R118 PolarHBondContact O-N 3.27Å; A115-E119 WeakPolarHBondContact O-CG 3.38Å; A115-E119 PolarHBondContact O-N 3.4Å |
| 116 | E | 98.3 | Very high | 97.9 | Very high | 132 Ų | 132 | 100.8 Ų | 100.8 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -46.1 | 177.3 | -172.6 | -176.5 | 161.3 | 0 | 0 | 111.9 | A112 A113 R118 E119 K120 | A112-E116 PolarHBondContact O-N 2.9Å; A113-E116 PolarHBondContact O-N 2.91Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 2.98Å; E116-E119 PolarHBondContact O-N 3.29Å; E116-K120 WeakPolarHBondContact O-CB 3.34Å; E116-K120 PolarHBondContact O-N 3.06Å |
| 117 | W | 98.1 | Very high | 97.9 | Very high | 179 Ų | 179 | 99.5 Ų | 99.5 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -37.3 | 178.6 | -68.7 | -10.2 | 0 | 0 | 0 | 112.4 | A113 K120 A121 | A113-W117 PolarHBondContact O-N 3.28Å; W117-K120 PolarHBondContact O-N 3.31Å; W117-A121 WeakPolarHBondContact O-CB 3.34Å; W117-A121 PolarHBondContact O-N 3.49Å |
| 118 | R | 98.1 | Very high | 98 | Very high | 133 Ų | 133 | 101.8 Ų | 101.8 | 50% | 0.502 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 175 | -173.5 | -173.3 | -67.7 | 92.2 | -3.9 | 112.1 | E114 A115 E116 K120 A121 K122 | E114-R118 WeakPolarHBondContact O-CB 3.33Å; E114-R118 PolarHBondContact O-N 3.04Å; E114-R118 PolarHBondContact O-NH1 2.92Å; E114-R118 IonicContact OE1-CZ 3.56Å; E114-R118 IonicContact OE1-NH2 3.32Å; E114-R118 PolarHBondContact OE1-NH2 2.96Å; A115-R118 PolarHBondContact O-N 3.27Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 2.98Å; R118-K120 VanDerWaalsContact C-N 3.34Å; R118-A121 PolarHBondContact O-N 2.99Å; R118-K122 WeakPolarHBondContact O-CB 3.5Å; R118-K122 PolarHBondContact O-N 3.4Å |
| 119 | E | 98.3 | Very high | 98 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.1 | -73.7 | -60.7 | 141.4 | 0 | 0 | 111.5 | A115 E116 K122 K123 | A115-E119 WeakPolarHBondContact O-CG 3.38Å; A115-E119 PolarHBondContact O-N 3.4Å; E116-E119 PolarHBondContact O-N 3.29Å; E119-K122 PolarHBondContact O-N 2.96Å; E119-K123 WeakPolarHBondContact O-CB 3.45Å; E119-K123 PolarHBondContact O-N 2.91Å |
| 120 | K | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 104.5 Ų | 104.5 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 175.6 | -172.6 | 178.1 | 179 | -177.9 | 0 | 111.8 | E116 W117 R118 K122 K123 E124 | E116-K120 WeakPolarHBondContact O-CB 3.34Å; E116-K120 PolarHBondContact O-N 3.06Å; W117-K120 PolarHBondContact O-N 3.31Å; R118-K120 VanDerWaalsContact C-N 3.34Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.42Å; K120-K123 PolarHBondContact O-N 3.42Å; K120-E124 WeakPolarHBondContact O-CB 3.12Å; K120-E124 PolarHBondContact O-N 2.88Å |
| 121 | A | 97.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W117 R118 E124 L125 | W117-A121 WeakPolarHBondContact O-CB 3.34Å; W117-A121 PolarHBondContact O-N 3.49Å; R118-A121 PolarHBondContact O-N 2.99Å; A121-E124 PolarHBondContact O-N 3.48Å; A121-L125 PolarHBondContact O-N 2.85Å |
| 122 | K | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 102.7 Ų | 102.7 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 175.4 | -177.5 | -177.9 | 171.7 | -167.7 | 0 | 111.7 | R118 E119 K120 E124 L125 E126 | R118-K122 WeakPolarHBondContact O-CB 3.5Å; R118-K122 PolarHBondContact O-N 3.4Å; E119-K122 PolarHBondContact O-N 2.96Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.42Å; K122-E124 PolarHBondContact O-N 3.44Å; K122-L125 WeakPolarHBondContact O-CB 3.45Å; K122-L125 PolarHBondContact O-N 3.33Å; K122-E126 WeakPolarHBondContact CE-OE1 3.46Å; K122-E126 WeakPolarHBondContact O-CG 3.36Å; K122-E126 PolarHBondContact O-N 2.9Å |
| 123 | K | 98.5 | Very high | 98.1 | Very high | 129 Ų | 129 | 104.8 Ų | 104.8 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 177 | -178.1 | 179.2 | 177 | -178 | 0 | 111.8 | E119 K120 L125 E126 D127 | E119-K123 WeakPolarHBondContact O-CB 3.45Å; E119-K123 PolarHBondContact O-N 2.91Å; K120-K123 PolarHBondContact O-N 3.42Å; K123-L125 VanDerWaalsContact C-N 3.29Å; K123-L125 PolarHBondContact O-N 2.96Å; K123-E126 PolarHBondContact O-N 3.03Å; K123-D127 WeakPolarHBondContact O-CB 3.45Å; K123-D127 PolarHBondContact O-N 3.31Å |
| 124 | E | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 107.6 Ų | 107.6 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -38.3 | 178.6 | -174.4 | 171.6 | 177 | 0 | 0 | 112 | K120 A121 K122 W128 | K120-E124 WeakPolarHBondContact O-CB 3.12Å; K120-E124 PolarHBondContact O-N 2.88Å; A121-E124 PolarHBondContact O-N 3.48Å; K122-E124 PolarHBondContact O-N 3.44Å; E124-W128 WeakPolarHBondContact O-CB 3.49Å; E124-W128 PolarHBondContact O-N 3.34Å |
| 125 | L | 98.1 | Very high | 98.1 | Very high | 99 Ų | 99 | 106.6 Ų | 106.6 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 173.9 | -175.2 | 66.7 | 0 | 0 | 0 | 112.1 | A121 K122 K123 W128 H129 | A121-L125 PolarHBondContact O-N 2.85Å; K122-L125 WeakPolarHBondContact O-CB 3.45Å; K122-L125 PolarHBondContact O-N 3.33Å; K123-L125 VanDerWaalsContact C-N 3.29Å; K123-L125 PolarHBondContact O-N 2.96Å; L125-W128 WeakPolarHBondContact O-CB 3.4Å; L125-W128 PolarHBondContact O-N 2.92Å; L125-H129 PolarHBondContact O-CD2 3.15Å; L125-H129 PolarHBondContact O-N 3.01Å |
| 126 | E | 98 | Very high | 98 | Very high | 102 Ų | 102 | 109.1 Ų | 109.1 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.6 | -73.1 | 173.8 | -167 | 0 | 0 | 111.5 | K122 K123 W128 H129 V130 | K122-E126 WeakPolarHBondContact CE-OE1 3.46Å; K122-E126 WeakPolarHBondContact O-CG 3.36Å; K122-E126 PolarHBondContact O-N 2.9Å; K123-E126 PolarHBondContact O-N 3.03Å; E126-W128 VanDerWaalsContact C-N 3.29Å; E126-W128 PolarHBondContact O-N 3.38Å; E126-H129 PolarHBondContact O-N 2.96Å; E126-H129 VanDerWaalsContact O-N 3.15Å; E126-V130 WeakPolarHBondContact O-CG2 3.29Å; E126-V130 PolarHBondContact O-N 2.87Å |
| 127 | D | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 106.6 Ų | 106.6 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 176.8 | -74.6 | -18 | 0 | 0 | 0 | 111 | K123 V130 H131 | K123-D127 WeakPolarHBondContact O-CB 3.45Å; K123-D127 PolarHBondContact O-N 3.31Å; D127-V130 PolarHBondContact O-N 3.47Å; D127-H131 WeakPolarHBondContact O-CB 3.43Å; D127-H131 PolarHBondContact O-N 3.48Å |
| 128 | W | 98.6 | Very high | 98 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -46 | 173.9 | -177 | 89.6 | 0 | 0 | 0 | 112 | E124 L125 E126 V130 H131 Q132 | E124-W128 WeakPolarHBondContact O-CB 3.49Å; E124-W128 PolarHBondContact O-N 3.34Å; L125-W128 WeakPolarHBondContact O-CB 3.4Å; L125-W128 PolarHBondContact O-N 2.92Å; E126-W128 VanDerWaalsContact C-N 3.29Å; E126-W128 PolarHBondContact O-N 3.38Å; W128-V130 PolarHBondContact O-N 2.83Å; W128-H131 PolarHBondContact O-N 3.21Å; W128-Q132 HydrophobicContact CD2-CG 3.79Å; W128-Q132 HydrophobicContact CE3-CG 3.99Å; W128-Q132 HydrophobicContact CG-CG 4.49Å; W128-Q132 HydrophobicContact CH2-CG 3.81Å; W128-Q132 HydrophobicContact CZ2-CG 3.59Å; W128-Q132 HydrophobicContact CZ3-CG 4.01Å; W128-Q132 WeakPolarHBondContact O-CB 3.39Å; W128-Q132 VanDerWaalsContact O-CG 3.29Å; W128-Q132 WeakPolarHBondContact O-CG 3.35Å; W128-Q132 PolarHBondContact O-N 3.08Å |
| 129 | H | 98.2 | Very high | 97.8 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.6 | -75.4 | -58.7 | 0 | 0 | 0 | 112.5 | L125 E126 Q132 N133 | L125-H129 PolarHBondContact O-CD2 3.15Å; L125-H129 PolarHBondContact O-N 3.01Å; E126-H129 PolarHBondContact O-N 2.96Å; E126-H129 VanDerWaalsContact O-N 3.15Å; H129-Q132 PolarHBondContact O-N 3.44Å; H129-N133 WeakPolarHBondContact O-CB 3.41Å; H129-N133 PolarHBondContact O-N 3.46Å |
| 130 | V | 98.4 | Very high | 97.8 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -49.8 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | E126 D127 W128 Q132 N133 E134 | E126-V130 WeakPolarHBondContact O-CG2 3.29Å; E126-V130 PolarHBondContact O-N 2.87Å; D127-V130 PolarHBondContact O-N 3.47Å; W128-V130 PolarHBondContact O-N 2.83Å; V130-Q132 PolarHBondContact O-N 2.98Å; V130-N133 PolarHBondContact O-N 3.4Å; V130-E134 HydrophobicContact CG1-CG 4.45Å; V130-E134 WeakPolarHBondContact O-CG 3.44Å; V130-E134 PolarHBondContact O-N 3.37Å |
| 131 | H | 98 | Very high | 97.6 | Very high | 97 Ų | 97 | 94.5 Ų | 94.5 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 179.4 | -177.8 | 1.3 | 0 | 0 | 0 | 111.8 | D127 W128 N133 E134 Q135 | D127-H131 WeakPolarHBondContact O-CB 3.43Å; D127-H131 PolarHBondContact O-N 3.48Å; W128-H131 PolarHBondContact O-N 3.21Å; H131-N133 PolarHBondContact O-N 2.96Å; H131-E134 PolarHBondContact O-N 3.26Å; H131-Q135 WeakPolarHBondContact CE1-CG 3.33Å; H131-Q135 PolarHBondContact CE1-NE2 3.27Å; H131-Q135 WeakPolarHBondContact ND1-CG 3.49Å; H131-Q135 WeakPolarHBondContact O-CG 3.49Å; H131-Q135 PolarHBondContact O-N 3.44Å |
| 132 | Q | 97.7 | Very high | 97.3 | Very high | 83 Ų | 83 | 96.3 Ų | 96.3 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 177 | -75.5 | -63.8 | -41.9 | 0 | 0 | 111.5 | W128 H129 V130 E134 Q135 M136 | W128-Q132 HydrophobicContact CD2-CG 3.79Å; W128-Q132 HydrophobicContact CE3-CG 3.99Å; W128-Q132 HydrophobicContact CG-CG 4.49Å; W128-Q132 HydrophobicContact CH2-CG 3.81Å; W128-Q132 HydrophobicContact CZ2-CG 3.59Å; W128-Q132 HydrophobicContact CZ3-CG 4.01Å; W128-Q132 WeakPolarHBondContact O-CB 3.39Å; W128-Q132 VanDerWaalsContact O-CG 3.29Å; W128-Q132 WeakPolarHBondContact O-CG 3.35Å; W128-Q132 PolarHBondContact O-N 3.08Å; H129-Q132 PolarHBondContact O-N 3.44Å; V130-Q132 PolarHBondContact O-N 2.98Å; Q132-E134 PolarHBondContact O-N 3.47Å; Q132-Q135 PolarHBondContact O-N 2.91Å; Q132-M136 WeakPolarHBondContact O-CG 3.35Å; Q132-M136 PolarHBondContact O-N 2.82Å |
| 133 | N | 97.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 179.8 | -171.5 | 59.5 | 0 | 0 | 0 | 111.8 | H129 V130 H131 Q135 M136 E137 | H129-N133 WeakPolarHBondContact O-CB 3.41Å; H129-N133 PolarHBondContact O-N 3.46Å; V130-N133 PolarHBondContact O-N 3.4Å; H131-N133 PolarHBondContact O-N 2.96Å; N133-Q135 VanDerWaalsContact C-N 3.35Å; N133-Q135 PolarHBondContact O-N 2.91Å; N133-M136 PolarHBondContact O-N 2.95Å; N133-E137 WeakPolarHBondContact O-CG 3.33Å; N133-E137 PolarHBondContact O-N 3.46Å |
| 134 | E | 97.7 | Very high | 96.7 | Very high | 95 Ų | 95 | 98.3 Ų | 98.3 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 175.1 | -75.5 | -171.3 | -177 | 0 | 0 | 112.9 | V130 H131 Q132 M136 E137 K138 | V130-E134 HydrophobicContact CG1-CG 4.45Å; V130-E134 WeakPolarHBondContact O-CG 3.44Å; V130-E134 PolarHBondContact O-N 3.37Å; H131-E134 PolarHBondContact O-N 3.26Å; Q132-E134 PolarHBondContact O-N 3.47Å; E134-M136 VanDerWaalsContact C-N 3.35Å; E134-E137 PolarHBondContact O-N 3.49Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 VanDerWaalsContact O-CG 3.26Å; E134-K138 WeakPolarHBondContact O-CG 3.26Å; E134-K138 PolarHBondContact O-N 2.89Å; E134-K138 IonicContact OE2-NZ 3.02Å |
| 135 | Q | 97.2 | Very high | 96.2 | Very high | 75 Ų | 75 | 97 Ų | 97 | 35% | 0.35 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.1 | -71 | -61.3 | -40.6 | 0 | 0 | 111.2 | H131 Q132 N133 E137 K138 N139 | H131-Q135 WeakPolarHBondContact CE1-CG 3.33Å; H131-Q135 PolarHBondContact CE1-NE2 3.27Å; H131-Q135 WeakPolarHBondContact ND1-CG 3.49Å; H131-Q135 WeakPolarHBondContact O-CG 3.49Å; H131-Q135 PolarHBondContact O-N 3.44Å; Q132-Q135 PolarHBondContact O-N 2.91Å; N133-Q135 VanDerWaalsContact C-N 3.35Å; N133-Q135 PolarHBondContact O-N 2.91Å; Q135-E137 PolarHBondContact O-N 3.23Å; Q135-K138 PolarHBondContact O-N 2.7Å; Q135-N139 WeakPolarHBondContact O-CB 3.38Å; Q135-N139 PolarHBondContact O-N 3.45Å; Q135-N139 PolarHBondContact O-ND2 3.49Å |
| 136 | M | 96.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 95 Ų | 95 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.5 | -73.2 | -61.4 | -64.4 | 0 | 0 | 112.1 | Q132 N133 E134 N139 K140 | Q132-M136 WeakPolarHBondContact O-CG 3.35Å; Q132-M136 PolarHBondContact O-N 2.82Å; N133-M136 PolarHBondContact O-N 2.95Å; E134-M136 VanDerWaalsContact C-N 3.35Å; M136-N139 PolarHBondContact O-N 3.32Å; M136-K140 WeakPolarHBondContact O-CG 3.39Å; M136-K140 PolarHBondContact O-N 2.88Å |
| 137 | E | 97.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 94 Ų | 94 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 177.3 | -70.5 | -52.8 | 123.9 | 0 | 0 | 112.5 | N133 E134 Q135 N139 K140 A141 | N133-E137 WeakPolarHBondContact O-CG 3.33Å; N133-E137 PolarHBondContact O-N 3.46Å; E134-E137 PolarHBondContact O-N 3.49Å; Q135-E137 PolarHBondContact O-N 3.23Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.47Å; E137-K140 PolarHBondContact O-N 3.41Å; E137-K140 WeakPolarHBondContact OE1-CD 3.38Å; E137-K140 WeakPolarHBondContact OE1-CE 3.35Å; E137-K140 IonicContact OE1-NZ 2.74Å; E137-K140 PolarHBondContact OE1-NZ 2.84Å; E137-A141 WeakPolarHBondContact O-CB 3.45Å; E137-A141 PolarHBondContact O-N 3.29Å |
| 138 | K | 97.5 | Very high | 93.9 | Very high | 102 Ų | 102 | 96.3 Ų | 96.3 | 44% | 0.443 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 170.9 | -76.6 | 167.4 | -178.1 | 158.6 | 0 | 111.1 | E134 Q135 A141 N142 | E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 VanDerWaalsContact O-CG 3.26Å; E134-K138 WeakPolarHBondContact O-CG 3.26Å; E134-K138 PolarHBondContact O-N 2.89Å; E134-K138 IonicContact OE2-NZ 3.02Å; Q135-K138 PolarHBondContact O-N 2.7Å; K138-A141 PolarHBondContact O-N 3.39Å; K138-N142 WeakPolarHBondContact O-CB 3.43Å; K138-N142 VanDerWaalsContact O-CG 3.24Å; K138-N142 PolarHBondContact O-N 3.48Å; K138-N142 PolarHBondContact O-ND2 2.88Å |
| 139 | N | 95.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 92.2 Ų | 92.2 | 41% | 0.412 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -72.8 | -13.9 | 0 | 0 | 0 | 112 | Q135 M136 E137 A141 N142 N143 | Q135-N139 WeakPolarHBondContact O-CB 3.38Å; Q135-N139 PolarHBondContact O-N 3.45Å; Q135-N139 PolarHBondContact O-ND2 3.49Å; M136-N139 PolarHBondContact O-N 3.32Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.47Å; N139-A141 VanDerWaalsContact C-N 3.34Å; N139-A141 PolarHBondContact O-N 2.86Å; N139-N142 PolarHBondContact O-N 3.29Å; N139-N143 PolarHBondContact O-N 3.37Å; N139-N143 PolarHBondContact O-ND2 3.1Å |
| 140 | K | 96.8 | Very high | 92.3 | Very high | 94 Ų | 94 | 90.7 Ų | 90.7 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.1 | -71.8 | 174.1 | -168.9 | 167.3 | 0 | 111.5 | M136 E137 N143 R144 | M136-K140 WeakPolarHBondContact O-CG 3.39Å; M136-K140 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.41Å; E137-K140 WeakPolarHBondContact OE1-CD 3.38Å; E137-K140 WeakPolarHBondContact OE1-CE 3.35Å; E137-K140 IonicContact OE1-NZ 2.74Å; E137-K140 PolarHBondContact OE1-NZ 2.84Å; K140-N143 PolarHBondContact O-N 3.11Å; K140-R144 VanDerWaalsContact O-CG 3.31Å; K140-R144 WeakPolarHBondContact O-CG 3.31Å; K140-R144 PolarHBondContact O-N 2.91Å |
| 141 | A | 93.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 93.2 Ų | 93.2 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E137 K138 N139 N143 R144 I145 | E137-A141 WeakPolarHBondContact O-CB 3.45Å; E137-A141 PolarHBondContact O-N 3.29Å; K138-A141 PolarHBondContact O-N 3.39Å; N139-A141 VanDerWaalsContact C-N 3.34Å; N139-A141 PolarHBondContact O-N 2.86Å; A141-N143 PolarHBondContact O-N 3.38Å; A141-R144 PolarHBondContact O-N 2.85Å; A141-I145 VanDerWaalsContact O-CG1 3.28Å; A141-I145 WeakPolarHBondContact O-CG1 3.39Å; A141-I145 PolarHBondContact O-N 3.47Å |
| 142 | N | 92.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.8 | -72.6 | -16.1 | 0 | 0 | 0 | 111.7 | K138 N139 I145 A146 | K138-N142 WeakPolarHBondContact O-CB 3.43Å; K138-N142 VanDerWaalsContact O-CG 3.24Å; K138-N142 PolarHBondContact O-N 3.48Å; K138-N142 PolarHBondContact O-ND2 2.88Å; N139-N142 PolarHBondContact O-N 3.29Å; N142-I145 PolarHBondContact O-N 2.91Å; N142-A146 WeakPolarHBondContact O-CB 3.27Å; N142-A146 PolarHBondContact O-N 3.22Å |
| 143 | N | 93.3 | Very high | 88.8 | Confident | 112 Ų | 112 | 98.5 Ų | 98.5 | 60% | 0.599 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 174.6 | -77.8 | -62.5 | 0 | 0 | 0 | 111.9 | N139 K140 A141 I145 A146 D147 | N139-N143 PolarHBondContact O-N 3.37Å; N139-N143 PolarHBondContact O-ND2 3.1Å; K140-N143 PolarHBondContact O-N 3.11Å; A141-N143 PolarHBondContact O-N 3.38Å; N143-I145 VanDerWaalsContact C-N 3.31Å; N143-I145 PolarHBondContact O-N 3.38Å; N143-A146 PolarHBondContact O-N 3.49Å; N143-D147 VanDerWaalsContact O-CB 3.28Å; N143-D147 WeakPolarHBondContact O-CB 3.37Å; N143-D147 PolarHBondContact O-N 2.87Å |
| 144 | R | 91.6 | Very high | 87.3 | Confident | 165 Ų | 165 | 98 Ų | 98 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -36.1 | 174.5 | -72 | 174.9 | -175.5 | 177.7 | 3.4 | 112.5 | K140 A141 K148 | K140-R144 VanDerWaalsContact O-CG 3.31Å; K140-R144 WeakPolarHBondContact O-CG 3.31Å; K140-R144 PolarHBondContact O-N 2.91Å; A141-R144 PolarHBondContact O-N 2.85Å; R144-K148 WeakPolarHBondContact O-CB 3.22Å; R144-K148 VanDerWaalsContact O-CG 3.23Å; R144-K148 WeakPolarHBondContact O-CG 3.42Å; R144-K148 PolarHBondContact O-N 3.28Å |
| 145 | I | 86.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 96.8 Ų | 96.8 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 175.7 | -68.7 | 164.8 | 0 | 0 | 0 | 110.2 | A141 N142 N143 D147 K148 A149 | A141-I145 VanDerWaalsContact O-CG1 3.28Å; A141-I145 WeakPolarHBondContact O-CG1 3.39Å; A141-I145 PolarHBondContact O-N 3.47Å; N142-I145 PolarHBondContact O-N 2.91Å; N143-I145 VanDerWaalsContact C-N 3.31Å; N143-I145 PolarHBondContact O-N 3.38Å; I145-D147 VanDerWaalsContact C-N 3.32Å; I145-D147 PolarHBondContact O-N 2.95Å; I145-K148 PolarHBondContact O-N 3.2Å; I145-A149 VanDerWaalsContact O-CB 3.28Å; I145-A149 WeakPolarHBondContact O-CB 3.06Å; I145-A149 PolarHBondContact O-N 2.85Å |
| 146 | A | 82.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N142 N143 A149 F150 | N142-A146 WeakPolarHBondContact O-CB 3.27Å; N142-A146 PolarHBondContact O-N 3.22Å; N143-A146 PolarHBondContact O-N 3.49Å; A146-A149 PolarHBondContact O-N 2.84Å; A146-F150 WeakPolarHBondContact O-CB 3.28Å; A146-F150 PolarHBondContact O-N 3.42Å |
| 147 | D | 82.6 | Confident | 81.9 | Confident | 81 Ų | 81 | 92.6 Ų | 92.6 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 175.5 | -169.6 | 59.9 | 0 | 0 | 0 | 111.4 | N143 I145 A149 F150 Y151 | N143-D147 VanDerWaalsContact O-CB 3.28Å; N143-D147 WeakPolarHBondContact O-CB 3.37Å; N143-D147 PolarHBondContact O-N 2.87Å; I145-D147 VanDerWaalsContact C-N 3.32Å; I145-D147 PolarHBondContact O-N 2.95Å; D147-A149 VanDerWaalsContact C-N 3.28Å; D147-A149 PolarHBondContact O-N 2.59Å; D147-F150 WeakPolarHBondContact O-CB 3.38Å; D147-F150 PolarHBondContact O-N 2.85Å; D147-F150 VanDerWaalsContact O-N 3.15Å; D147-Y151 WeakPolarHBondContact O-CD2 3.23Å; D147-Y151 PolarHBondContact O-N 2.91Å; D147-Y151 VanDerWaalsContact OD1-CE2 3.27Å; D147-Y151 WeakPolarHBondContact OD1-CE2 3.28Å; D147-Y151 WeakPolarHBondContact OD2-CE2 3.47Å |
| 148 | K | 82.1 | Confident | 80 | Confident | 137 Ų | 137 | 93.4 Ų | 93.4 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.5 | -36.4 | 172.9 | -75.2 | 175.3 | -178.8 | -176.1 | 0 | 113 | R144 I145 K152 | R144-K148 WeakPolarHBondContact O-CB 3.22Å; R144-K148 VanDerWaalsContact O-CG 3.23Å; R144-K148 WeakPolarHBondContact O-CG 3.42Å; R144-K148 PolarHBondContact O-N 3.28Å; I145-K148 PolarHBondContact O-N 3.2Å; K148-K152 VanDerWaalsContact O-CG 3.26Å; K148-K152 WeakPolarHBondContact O-CG 3.42Å; K148-K152 PolarHBondContact O-N 3.09Å |
| 149 | A | 80.2 | Confident | 78.1 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I145 A146 D147 K152 Q153 | I145-A149 VanDerWaalsContact O-CB 3.28Å; I145-A149 WeakPolarHBondContact O-CB 3.06Å; I145-A149 PolarHBondContact O-N 2.85Å; A146-A149 PolarHBondContact O-N 2.84Å; D147-A149 VanDerWaalsContact C-N 3.28Å; D147-A149 PolarHBondContact O-N 2.59Å; A149-K152 PolarHBondContact O-N 3Å; A149-Q153 WeakPolarHBondContact O-CG 3.25Å; A149-Q153 PolarHBondContact O-N 3.29Å |
| 150 | F | 81.7 | Confident | 76 | Confident | 71 Ų | 71 | 93.6 Ų | 93.6 | 31% | 0.311 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 172.8 | 177 | -95.6 | 0 | 0 | 0 | 110.9 | A146 D147 K152 Q153 S156 I159 | A146-F150 WeakPolarHBondContact O-CB 3.28Å; A146-F150 PolarHBondContact O-N 3.42Å; D147-F150 WeakPolarHBondContact O-CB 3.38Å; D147-F150 PolarHBondContact O-N 2.85Å; D147-F150 VanDerWaalsContact O-N 3.15Å; F150-K152 PolarHBondContact O-N 3.14Å; F150-Q153 WeakPolarHBondContact O-CB 3.46Å; F150-Q153 PolarHBondContact O-N 3.32Å; F150-S156 WeakPolarHBondContact O-CB 3.17Å; F150-I159 HydrophobicContact CE2-CD1 4.35Å; F150-I159 HydrophobicContact CZ-CB 4.33Å; F150-I159 HydrophobicContact CZ-CD1 4.13Å; F150-I159 HydrophobicContact CZ-CG2 4.22Å |
| 151 | Y | 75.6 | Confident | 73.4 | Confident | 133 Ų | 133 | 98.3 Ų | 98.3 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -19.7 | 178.3 | -70 | -67.7 | 0 | 0 | 0 | 114.5 | D147 S156 | D147-Y151 WeakPolarHBondContact O-CD2 3.23Å; D147-Y151 PolarHBondContact O-N 2.91Å; D147-Y151 VanDerWaalsContact OD1-CE2 3.27Å; D147-Y151 WeakPolarHBondContact OD1-CE2 3.28Å; D147-Y151 WeakPolarHBondContact OD2-CE2 3.47Å; Y151-S156 WeakPolarHBondContact CA-OG 3.28Å; Y151-S156 PolarHBondContact O-OG 2.55Å |
| 152 | K | 75.3 | Confident | 71.3 | Confident | 177 Ų | 177 | 102.2 Ų | 102.2 | 77% | 0.77 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.4 | 173.3 | -73.3 | 174.3 | -178.8 | -171.9 | 0 | 113.9 | K148 A149 F150 | K148-K152 VanDerWaalsContact O-CG 3.26Å; K148-K152 WeakPolarHBondContact O-CG 3.42Å; K148-K152 PolarHBondContact O-N 3.09Å; A149-K152 PolarHBondContact O-N 3Å; F150-K152 PolarHBondContact O-N 3.14Å |
| 153 | Q | 69.3 | Low | 68.8 | Low | 114 Ų | 114 | 101.3 Ų | 101.3 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -70.4 | 144.5 | 176.3 | -65.5 | -174.4 | -44.2 | 0 | 0 | 110.4 | A149 F150 N155 S156 | A149-Q153 WeakPolarHBondContact O-CG 3.25Å; A149-Q153 PolarHBondContact O-N 3.29Å; F150-Q153 WeakPolarHBondContact O-CB 3.46Å; F150-Q153 PolarHBondContact O-N 3.32Å; Q153-N155 PolarHBondContact O-N 2.9Å; Q153-S156 WeakPolarHBondContact O-CB 3.48Å; Q153-S156 PolarHBondContact O-N 3.38Å; Q153-S156 PolarHBondContact O-OG 3.34Å |
| 154 | P | 67.1 | Low | 66.5 | Low | 92 Ų | 92 | 98.4 Ų | 98.4 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 132.2 | 170.6 | -22.2 | 32.1 | 0 | 0 | 0 | 110 | S156 | P154-S156 PolarHBondContact O-N 3.05Š|
| 155 | N | 59 | Low | 64.4 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 18.1 | -178.6 | -49.6 | -31.7 | 0 | 0 | 0 | 116.6 | Q153 D157 V158 | Q153-N155 PolarHBondContact O-N 2.9Å; N155-D157 PolarHBondContact O-N 3.21Å; N155-V158 HydrophobicContact CB-CB 4.2Å; N155-V158 HydrophobicContact CB-CG2 3.83Å; N155-V158 WeakPolarHBondContact O-CB 3.4Å; N155-V158 PolarHBondContact O-N 2.81Å |
| 156 | S | 62.4 | Low | 62.5 | Low | 6 Ų | 6 | 101 Ų | 101 | 4% | 0.042 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -56.2 | -35.3 | 172.3 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | F150 Y151 Q153 P154 V158 I159 | F150-S156 WeakPolarHBondContact O-CB 3.17Å; Y151-S156 WeakPolarHBondContact CA-OG 3.28Å; Y151-S156 PolarHBondContact O-OG 2.55Å; Q153-S156 WeakPolarHBondContact O-CB 3.48Å; Q153-S156 PolarHBondContact O-N 3.38Å; Q153-S156 PolarHBondContact O-OG 3.34Å; P154-S156 PolarHBondContact O-N 3.05Å; S156-V158 PolarHBondContact O-N 3.24Å; S156-I159 PolarHBondContact O-N 3.25Å |
| 157 | D | 56.8 | Low | 61 | Low | 81 Ų | 81 | 100.4 Ų | 100.4 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.5 | -16.9 | 175.5 | -60.1 | -36 | 0 | 0 | 0 | 113.8 | N155 | N155-D157 PolarHBondContact O-N 3.21Å |
| 158 | V | 56.8 | Low | 59.4 | Low | 95 Ų | 95 | 102.5 Ų | 102.5 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.8 | -24.7 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | N155 S156 | N155-V158 HydrophobicContact CB-CB 4.2Å; N155-V158 HydrophobicContact CB-CG2 3.83Å; N155-V158 WeakPolarHBondContact O-CB 3.4Å; N155-V158 PolarHBondContact O-N 2.81Å; S156-V158 PolarHBondContact O-N 3.24Å |
| 159 | I | 58.3 | Low | 58.1 | Low | 130 Ų | 130 | 99.9 Ų | 99.9 | 67% | 0.667 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -82.5 | -26.7 | 179.3 | -61 | 178.3 | 0 | 0 | 0 | 111.1 | F150 S156 | F150-I159 HydrophobicContact CE2-CD1 4.35Å; F150-I159 HydrophobicContact CZ-CB 4.33Å; F150-I159 HydrophobicContact CZ-CD1 4.13Å; F150-I159 HydrophobicContact CZ-CG2 4.22Å; S156-I159 PolarHBondContact O-N 3.25Å |
| 160 | G | 51.7 | Low | 57.1 | Low | 53 Ų | 53 | 100.7 Ų | 100.7 | 55% | 0.546 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -101.1 | 75.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V162 | G160-V162 PolarHBondContact O-N 3.26Å; G160-V162 VanDerWaalsContact O-N 3.09Å |
| 161 | F | 43.2 | Very low | 55.6 | Low | 192 Ų | 192 | 101.7 Ų | 101.7 | 84% | 0.842 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -34 | 110.1 | 178.3 | -168.2 | -106.2 | 0 | 0 | 0 | 113.7 | ||
| 162 | V | 48.4 | Very low | 54.6 | Low | 126 Ų | 126 | 97 Ų | 97 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.1 | -17.8 | 144.6 | 169.4 | 0 | 0 | 0 | 0 | 116.3 | G160 | G160-V162 PolarHBondContact O-N 3.26Å; G160-V162 VanDerWaalsContact O-N 3.09Å |
| 163 | A | 41.1 | Very low | 53.3 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -122.5 | 69.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 164 | S | 44.5 | Very low | 52.7 | Low | 50 Ų | 50 | 91.1 Ų | 91.1 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | trans | 160.2 | 95 | 134.9 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | E166 A167 | S164-E166 PolarHBondContact O-N 2.99Å; S164-E166 VanDerWaalsContact O-N 3.17Å; S164-A167 PolarHBondContact O-N 3.27Å; S164-A167 VanDerWaalsContact OG-CB 3.3Å; S164-A167 WeakPolarHBondContact OG-CB 3.34Å | ||
| 165 | E | 47.3 | Very low | 52.3 | Low | 162 Ų | 162 | 92.2 Ų | 92.2 | 76% | 0.757 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55.8 | -24.8 | 161.9 | -166.7 | 165.6 | -176.1 | 0 | 0 | 111 | L169 | E165-L169 HydrophobicContact CG-CD1 4.2Å; E165-L169 WeakPolarHBondContact O-CB 3.45Å; E165-L169 WeakPolarHBondContact O-CD1 3.12Å; E165-L169 VanDerWaalsContact O-CG 3.25Å; E165-L169 WeakPolarHBondContact O-CG 3.44Å; E165-L169 PolarHBondContact O-N 3.46Å |
| 166 | E | 46.3 | Very low | 52.6 | Low | 165 Ų | 165 | 92.9 Ų | 92.9 | 77% | 0.771 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.4 | -34.1 | -177.4 | -150.3 | 166.2 | -168.7 | 0 | 0 | 114.4 | S164 A170 | S164-E166 PolarHBondContact O-N 2.99Å; S164-E166 VanDerWaalsContact O-N 3.17Å; E166-A170 PolarHBondContact O-N 2.81Å |
| 167 | A | 50.8 | Low | 52.9 | Low | 45 Ų | 45 | 97.9 Ų | 97.9 | 37% | 0.372 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.4 | -33 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S164 L169 A170 E171 | S164-A167 PolarHBondContact O-N 3.27Å; S164-A167 VanDerWaalsContact OG-CB 3.3Å; S164-A167 WeakPolarHBondContact OG-CB 3.34Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-A170 PolarHBondContact O-N 3.17Å; A167-E171 PolarHBondContact O-N 2.96Å |
| 168 | F | 50.1 | Low | 53.6 | Low | 125 Ų | 125 | 95 Ų | 95 | 55% | 0.548 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -44.5 | 168.5 | -177.4 | -101.5 | 0 | 0 | 0 | 110.2 | T172 | F168-T172 VanDerWaalsContact O-CB 3.3Å; F168-T172 WeakPolarHBondContact O-CB 3.26Å; F168-T172 PolarHBondContact O-N 3.21Å; F168-T172 PolarHBondContact O-OG1 3.2Å |
| 169 | L | 54 | Low | 54.6 | Low | 82 Ų | 82 | 92 Ų | 92 | 43% | 0.429 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.8 | -74.8 | 163 | 0 | 0 | 0 | 112.8 | E165 A167 E171 T172 D173 | E165-L169 HydrophobicContact CG-CD1 4.2Å; E165-L169 WeakPolarHBondContact O-CB 3.45Å; E165-L169 WeakPolarHBondContact O-CD1 3.12Å; E165-L169 VanDerWaalsContact O-CG 3.25Å; E165-L169 WeakPolarHBondContact O-CG 3.44Å; E165-L169 PolarHBondContact O-N 3.46Å; A167-L169 VanDerWaalsContact C-N 3.32Å; L169-E171 PolarHBondContact O-N 3.04Å; L169-T172 CarbonylContact O-C 3.43Å; L169-T172 WeakPolarHBondContact O-CA 3.32Å; L169-T172 WeakPolarHBondContact O-CB 3.08Å; L169-T172 PolarHBondContact O-N 3.15Å; L169-D173 WeakPolarHBondContact O-CB 3.38Å; L169-D173 PolarHBondContact O-N 3.35Å |
| 170 | A | 58.5 | Low | 55.8 | Low | 68 Ų | 68 | 88.1 Ų | 88.1 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -31.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E166 A167 | E166-A170 PolarHBondContact O-N 2.81Å; A167-A170 PolarHBondContact O-N 3.17Å |
| 171 | E | 52 | Low | 57.4 | Low | 93 Ų | 93 | 89.3 Ų | 89.3 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -85.6 | -18.8 | 167.6 | -81.6 | -157.5 | -173.3 | 0 | 0 | 113 | A167 L169 D173 | A167-E171 PolarHBondContact O-N 2.96Å; L169-E171 PolarHBondContact O-N 3.04Å; E171-D173 VanDerWaalsContact C-N 3.35Å |
| 172 | T | 54.7 | Low | 59.4 | Low | 34 Ų | 34 | 84.1 Ų | 84.1 | 21% | 0.209 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -75.1 | -27.2 | 170.7 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | F168 L169 G174 D175 | F168-T172 VanDerWaalsContact O-CB 3.3Å; F168-T172 WeakPolarHBondContact O-CB 3.26Å; F168-T172 PolarHBondContact O-N 3.21Å; F168-T172 PolarHBondContact O-OG1 3.2Å; L169-T172 CarbonylContact O-C 3.43Å; L169-T172 WeakPolarHBondContact O-CA 3.32Å; L169-T172 WeakPolarHBondContact O-CB 3.08Å; L169-T172 PolarHBondContact O-N 3.15Å; T172-G174 PolarHBondContact O-N 3.31Å; T172-D175 WeakPolarHBondContact O-CB 3.38Å; T172-D175 PolarHBondContact O-N 2.79Å |
| 173 | D | 48 | Very low | 61 | Low | 127 Ų | 127 | 81.6 Ų | 81.6 | 68% | 0.679 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -72 | -8.5 | 174.9 | -72 | -27.8 | 0 | 0 | 0 | 113.1 | L169 E171 D175 | L169-D173 WeakPolarHBondContact O-CB 3.38Å; L169-D173 PolarHBondContact O-N 3.35Å; E171-D173 VanDerWaalsContact C-N 3.35Å; D173-D175 PolarHBondContact O-N 3.44Å |
| 174 | G | 54.8 | Low | 63.2 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | trans | -72.2 | 44.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112 | T172 S176 S179 | T172-G174 PolarHBondContact O-N 3.31Å; G174-S176 PolarHBondContact O-N 3.31Å; G174-S179 PolarHBondContact O-OG 3.46Å | ||
| 175 | D | 59.4 | Low | 65.2 | Low | 115 Ų | 115 | 78.5 Ų | 78.5 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | trans | -78.6 | 39.2 | -171.7 | -143.9 | 16.3 | 0 | 0 | 0 | 111.6 | T172 D173 P177 | T172-D175 WeakPolarHBondContact O-CB 3.38Å; T172-D175 PolarHBondContact O-N 2.79Å; D173-D175 PolarHBondContact O-N 3.44Å; D175-P177 WeakPolarHBondContact O-CD 3.33Å | ||
| 176 | S | 65.1 | Low | 66.9 | Low | 83 Ų | 83 | 78.4 Ų | 78.4 | 58% | 0.58 | 43% | 0.427 | S | S | * | . | trans | -73.4 | 121.3 | 172.1 | -168.4 | 0 | 0 | 0 | 0 | 108.2 | G174 G178 S179 | G174-S176 PolarHBondContact O-N 3.31Å; S176-G178 PolarHBondContact O-N 2.89Å; S176-G178 VanDerWaalsContact O-N 3.1Å; S176-S179 PolarHBondContact O-N 3.24Å; S176-S179 PolarHBondContact O-OG 3.01Å | ||
| 177 | P | 69.1 | Low | 68.7 | Low | 111 Ų | 111 | 77 Ų | 77 | 72% | 0.721 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 119.7 | -179.9 | -26.7 | 34.4 | 0 | 0 | 0 | 111.1 | D175 | D175-P177 WeakPolarHBondContact O-CD 3.33Š|
| 178 | G | 70.6 | Confident | 70.4 | Confident | 21 Ų | 21 | 77 Ų | 77 | 22% | 0.216 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 114.1 | -8.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S176 E180 P215 | S176-G178 PolarHBondContact O-N 2.89Å; S176-G178 VanDerWaalsContact O-N 3.1Å; G178-E180 VanDerWaalsContact CA-OE2 3.32Å; G178-E180 WeakPolarHBondContact CA-OE2 3.28Å; G178-E180 PolarHBondContact N-OE2 2.97Å; G178-P215 WeakPolarHBondContact O-CG 3.38Å |
| 179 | S | 78.4 | Confident | 72.1 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 22% | 0.217 | 42% | 0.419 | C | S | . | . | trans | -80.5 | -13.3 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 113.8 | G174 S176 W181 E182 R183 | G174-S179 PolarHBondContact O-OG 3.46Å; S176-S179 PolarHBondContact O-N 3.24Å; S176-S179 PolarHBondContact O-OG 3.01Å; S179-W181 PolarHBondContact O-N 3.35Å; S179-E182 WeakPolarHBondContact O-CB 3.5Å; S179-E182 PolarHBondContact O-N 3.45Å; S179-R183 PolarHBondContact O-N 3.26Å | ||
| 180 | E | 84.1 | Confident | 73.6 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | -172 | -55.5 | 101.3 | 124.7 | 0 | 0 | 112.4 | G178 E182 R183 V184 R218 | G178-E180 VanDerWaalsContact CA-OE2 3.32Å; G178-E180 WeakPolarHBondContact CA-OE2 3.28Å; G178-E180 PolarHBondContact N-OE2 2.97Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 3.34Å; E180-R183 PolarHBondContact O-N 2.96Å; E180-V184 WeakPolarHBondContact O-CG2 3.4Å; E180-V184 PolarHBondContact O-N 3.36Å; E180-V184 VanDerWaalsContact O-N 3.11Å; E180-R218 IonicContact OE1-CZ 3.74Å; E180-R218 IonicContact OE1-NH1 2.68Å; E180-R218 PolarHBondContact OE1-NH1 2.94Å |
| 181 | W | 86.1 | Confident | 74.8 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 30% | 0.295 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.2 | -24.5 | 178.9 | -66.5 | 110.7 | 0 | 0 | 0 | 113.1 | S179 V184 A185 L208 L211 | S179-W181 PolarHBondContact O-N 3.35Å; W181-V184 HydrophobicContact CE3-CB 4.36Å; W181-V184 HydrophobicContact CE3-CG1 4.38Å; W181-V184 HydrophobicContact CZ3-CG1 4.49Å; W181-A185 VanDerWaalsContact O-CB 3.22Å; W181-A185 WeakPolarHBondContact O-CB 3.27Å; W181-A185 PolarHBondContact O-N 3.26Å; W181-L208 HydrophobicContact CE3-CD2 4.26Å; W181-L208 HydrophobicContact CZ3-CD2 3.84Å; W181-L211 VanDerWaalsContact CB-C 3.49Å; W181-L211 HydrophobicContact CB-CB 4.12Å; W181-L211 VanDerWaalsContact CB-O 3.23Å; W181-L211 WeakPolarHBondContact CB-O 3.39Å; W181-L211 HydrophobicContact CD2-CB 3.42Å; W181-L211 VanDerWaalsContact CD2-CB 3.42Å; W181-L211 HydrophobicContact CD2-CD1 4.02Å; W181-L211 HydrophobicContact CD2-CG 4.18Å; W181-L211 HydrophobicContact CE3-CB 3.75Å; W181-L211 HydrophobicContact CE3-CD1 3.87Å; W181-L211 HydrophobicContact CE3-CG 4.41Å; W181-L211 HydrophobicContact CG-CB 3.57Å; W181-L211 HydrophobicContact CH2-CD1 3.54Å; W181-L211 HydrophobicContact CZ2-CB 4.46Å; W181-L211 HydrophobicContact CZ2-CD1 3.66Å; W181-L211 HydrophobicContact CZ2-CD2 4.21Å; W181-L211 HydrophobicContact CZ2-CG 4.33Å; W181-L211 HydrophobicContact CZ3-CB 4.4Å; W181-L211 HydrophobicContact CZ3-CD1 3.63Å |
| 182 | E | 84.2 | Confident | 76.1 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 172.1 | -161.8 | -179 | 168.1 | 0 | 0 | 111.3 | S179 E180 A185 R186 | S179-E182 WeakPolarHBondContact O-CB 3.5Å; S179-E182 PolarHBondContact O-N 3.45Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 3.34Å; E182-A185 PolarHBondContact O-N 3.47Å; E182-R186 VanDerWaalsContact CD-NH2 3.27Å; E182-R186 WeakPolarHBondContact O-CG 3.38Å; E182-R186 PolarHBondContact O-N 3.17Å; E182-R186 VanDerWaalsContact O-N 3.11Å; E182-R186 IonicContact OE1-CZ 3.92Å; E182-R186 IonicContact OE1-NE 2.94Å; E182-R186 IonicContact OE1-NH2 2.92Å; E182-R186 PolarHBondContact OE1-NH2 3.21Å; E182-R186 IonicContact OE2-NH2 3.89Å |
| 183 | R | 83 | Confident | 77.4 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 28% | 0.275 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 173.7 | -68.5 | -173.5 | -76.7 | 170.2 | -5.4 | 111.7 | S179 E180 A185 R186 L187 | S179-R183 PolarHBondContact O-N 3.26Å; E180-R183 PolarHBondContact O-N 2.96Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.47Å; R183-R186 PolarHBondContact O-N 2.95Å; R183-L187 PolarHBondContact O-N 3.25Å |
| 184 | V | 85.3 | Confident | 79 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 35% | 0.345 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | E180 W181 R186 L187 C188 L208 | E180-V184 WeakPolarHBondContact O-CG2 3.4Å; E180-V184 PolarHBondContact O-N 3.36Å; E180-V184 VanDerWaalsContact O-N 3.11Å; W181-V184 HydrophobicContact CE3-CB 4.36Å; W181-V184 HydrophobicContact CE3-CG1 4.38Å; W181-V184 HydrophobicContact CZ3-CG1 4.49Å; V184-R186 VanDerWaalsContact C-N 3.34Å; V184-R186 PolarHBondContact O-N 3.48Å; V184-L187 PolarHBondContact O-N 3.44Å; V184-C188 PolarHBondContact O-N 3.36Å; V184-C188 PolarHBondContact O-SG 3.46Å; V184-L208 HydrophobicContact CG1-CD2 3.99Å |
| 185 | A | 87 | Confident | 80 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 5% | 0.05 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.3 | -27.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | W181 E182 R183 L187 C188 F190 K212 | W181-A185 VanDerWaalsContact O-CB 3.22Å; W181-A185 WeakPolarHBondContact O-CB 3.27Å; W181-A185 PolarHBondContact O-N 3.26Å; E182-A185 PolarHBondContact O-N 3.47Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.47Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.33Å; A185-C188 PolarHBondContact O-N 3.41Å; A185-F190 HydrophobicContact CB-CE2 3.92Å; A185-F190 HydrophobicContact CB-CZ 4.4Å; A185-F190 WeakPolarHBondContact O-CE2 3.47Å; A185-K212 HydrophobicContact CB-CB 4.11Å; A185-K212 HydrophobicContact CB-CD 3.59Å; A185-K212 HydrophobicContact CB-CG 4Å |
| 186 | R | 84.1 | Confident | 80.9 | Confident | 159 Ų | 159 | 83.3 Ų | 83.3 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.1 | -29.5 | 174 | -74.7 | 176.1 | -167.5 | 153.8 | 5 | 112.6 | E182 R183 V184 | E182-R186 VanDerWaalsContact CD-NH2 3.27Å; E182-R186 WeakPolarHBondContact O-CG 3.38Å; E182-R186 PolarHBondContact O-N 3.17Å; E182-R186 VanDerWaalsContact O-N 3.11Å; E182-R186 IonicContact OE1-CZ 3.92Å; E182-R186 IonicContact OE1-NE 2.94Å; E182-R186 IonicContact OE1-NH2 2.92Å; E182-R186 PolarHBondContact OE1-NH2 3.21Å; E182-R186 IonicContact OE2-NH2 3.89Å; R183-R186 PolarHBondContact O-N 2.95Å; V184-R186 VanDerWaalsContact C-N 3.34Å; V184-R186 PolarHBondContact O-N 3.48Å |
| 187 | L | 84.4 | Confident | 81.5 | Confident | 136 Ų | 136 | 85.7 Ų | 85.7 | 71% | 0.712 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -82.7 | -16.5 | 178 | -62.2 | 174.1 | 0 | 0 | 0 | 113 | R183 V184 A185 | R183-L187 PolarHBondContact O-N 3.25Å; V184-L187 PolarHBondContact O-N 3.44Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.33Å |
| 188 | C | 86.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 85.8 Ų | 85.8 | 30% | 0.297 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -93.4 | 125.5 | -177.8 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | V184 A185 F190 | V184-C188 PolarHBondContact O-N 3.36Å; V184-C188 PolarHBondContact O-SG 3.46Å; A185-C188 PolarHBondContact O-N 3.41Å; C188-F190 HydrophobicContact CB-CD2 4.18Å; C188-F190 HydrophobicContact CB-CE1 4.29Å; C188-F190 HydrophobicContact CB-CE2 3.54Å; C188-F190 HydrophobicContact CB-CZ 3.59Å; C188-F190 VanDerWaalsContact O-CD2 3.27Å; C188-F190 WeakPolarHBondContact O-CD2 3.3Å; C188-F190 PolarHBondContact O-N 2.98Å |
| 189 | D | 84.2 | Confident | 82.8 | Confident | 96 Ų | 96 | 93.1 Ų | 93.1 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | trans | -79.3 | 101.5 | 170.8 | -172.5 | 2.6 | 0 | 0 | 0 | 111.2 | N191 T194 R205 | D189-N191 VanDerWaalsContact C-N 3.33Å; D189-N191 WeakPolarHBondContact OD1-CB 3.45Å; D189-N191 PolarHBondContact OD1-N 3.06Å; D189-T194 VanDerWaalsContact CG-OG1 3.22Å; D189-T194 PolarHBondContact OD1-OG1 3.43Å; D189-T194 WeakPolarHBondContact OD2-CB 3.22Å; D189-T194 PolarHBondContact OD2-OG1 3.11Å; D189-R205 PolarHBondContact O-NH2 3.4Å | ||
| 190 | F | 85.6 | Confident | 83.2 | Confident | 54 Ų | 54 | 98 Ų | 98 | 24% | 0.237 | 50% | 0.495 | C | S | . | . | trans | -86.3 | -0.5 | 176.3 | -65.3 | -73.3 | 0 | 0 | 0 | 113.8 | A185 C188 P192 R205 L208 I209 | A185-F190 HydrophobicContact CB-CE2 3.92Å; A185-F190 HydrophobicContact CB-CZ 4.4Å; A185-F190 WeakPolarHBondContact O-CE2 3.47Å; C188-F190 HydrophobicContact CB-CD2 4.18Å; C188-F190 HydrophobicContact CB-CE1 4.29Å; C188-F190 HydrophobicContact CB-CE2 3.54Å; C188-F190 HydrophobicContact CB-CZ 3.59Å; C188-F190 VanDerWaalsContact O-CD2 3.27Å; C188-F190 WeakPolarHBondContact O-CD2 3.3Å; C188-F190 PolarHBondContact O-N 2.98Å; F190-P192 VanDerWaalsContact O-CD 3.25Å; F190-P192 WeakPolarHBondContact O-CD 3.25Å; F190-R205 HydrophobicContact CD1-CB 4.17Å; F190-R205 HydrophobicContact CD1-CG 4.06Å; F190-R205 HydrophobicContact CE1-CB 4.25Å; F190-R205 HydrophobicContact CE1-CG 4.26Å; F190-L208 HydrophobicContact CE1-CB 4.04Å; F190-L208 HydrophobicContact CE1-CD1 4.46Å; F190-L208 HydrophobicContact CZ-CB 3.84Å; F190-L208 HydrophobicContact CZ-CD1 4.4Å; F190-I209 HydrophobicContact CD1-CD1 3.85Å; F190-I209 HydrophobicContact CD1-CG1 3.9Å; F190-I209 HydrophobicContact CE1-CD1 4.15Å; F190-I209 HydrophobicContact CE1-CG1 3.74Å; F190-I209 HydrophobicContact CG-CD1 4.37Å; F190-I209 HydrophobicContact CG-CG1 4.41Å; F190-I209 HydrophobicContact CZ-CG1 4.11Å | ||
| 191 | N | 85 | Confident | 83.3 | Confident | 71 Ų | 71 | 96.8 Ų | 96.8 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | trans | -65.8 | 120.3 | 177.8 | -173.9 | -6.5 | 0 | 0 | 0 | 109.4 | D189 K193 T194 R205 | D189-N191 VanDerWaalsContact C-N 3.33Å; D189-N191 WeakPolarHBondContact OD1-CB 3.45Å; D189-N191 PolarHBondContact OD1-N 3.06Å; N191-K193 PolarHBondContact O-N 2.96Å; N191-K193 WeakPolarHBondContact OD1-CB 3.34Å; N191-K193 PolarHBondContact OD1-N 3.35Å; N191-T194 HydrophobicContact CB-CG2 4.21Å; N191-T194 WeakPolarHBondContact CB-OG1 3.44Å; N191-T194 PolarHBondContact O-OG1 3.46Å; N191-T194 VanDerWaalsContact O-OG1 3.05Å; N191-R205 PolarHBondContact O-NH2 3.27Å | ||
| 192 | P | 79.3 | Confident | 83.4 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 64% | 0.643 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.5 | 178.7 | 25.3 | -32.5 | 0 | 0 | 0 | 112.1 | F190 | F190-P192 VanDerWaalsContact O-CD 3.25Å; F190-P192 WeakPolarHBondContact O-CD 3.25Å |
| 193 | K | 81.4 | Confident | 83.7 | Confident | 190 Ų | 190 | 102.7 Ų | 102.7 | 83% | 0.826 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -22.8 | -177.5 | -59.9 | -177.4 | 179.7 | 179.1 | 0 | 114.1 | N191 | N191-K193 PolarHBondContact O-N 2.96Å; N191-K193 WeakPolarHBondContact OD1-CB 3.34Å; N191-K193 PolarHBondContact OD1-N 3.35Å |
| 194 | T | 81.8 | Confident | 84.1 | Confident | 67 Ų | 67 | 104.5 Ų | 104.5 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -13.5 | 178.8 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | D189 N191 K196 | D189-T194 VanDerWaalsContact CG-OG1 3.22Å; D189-T194 PolarHBondContact OD1-OG1 3.43Å; D189-T194 WeakPolarHBondContact OD2-CB 3.22Å; D189-T194 PolarHBondContact OD2-OG1 3.11Å; N191-T194 HydrophobicContact CB-CG2 4.21Å; N191-T194 WeakPolarHBondContact CB-OG1 3.44Å; N191-T194 PolarHBondContact O-OG1 3.46Å; N191-T194 VanDerWaalsContact O-OG1 3.05Å; T194-K196 PolarHBondContact O-N 3.46Å; T194-K196 VanDerWaalsContact O-N 3.1Å |
| 195 | S | 76.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 104 Ų | 104 | 29% | 0.287 | 53% | 0.525 | S | S | . | . | trans | -75.8 | 98.4 | 179.3 | -160.2 | 0 | 0 | 0 | 0 | 111.3 | Q197 | S195-Q197 VanDerWaalsContact C-N 3.33Š| ||
| 196 | K | 77.6 | Confident | 84.4 | Confident | 201 Ų | 201 | 107.4 Ų | 107.4 | 87% | 0.874 | 55% | 0.549 | S | S | * | . | trans | -94.3 | 15.7 | 174.1 | -60.6 | -179 | -177.6 | 177.9 | 0 | 113 | T194 | T194-K196 PolarHBondContact O-N 3.46Å; T194-K196 VanDerWaalsContact O-N 3.1Å | ||
| 197 | Q | 77.3 | Confident | 84.8 | Confident | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | trans | -81.6 | 135 | -173.1 | -58.7 | -172.2 | -2 | 0 | 0 | 110.8 | S195 K199 | S195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 3.31Å | ||
| 198 | A | 80.9 | Confident | 85.2 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 93% | 0.934 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -72.8 | -15.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 199 | K | 85.9 | Confident | 85.4 | Confident | 175 Ų | 175 | 99.3 Ų | 99.3 | 76% | 0.761 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -89.7 | 134.6 | 179.3 | -64.2 | -179.4 | -178 | 178.7 | 0 | 109.8 | Q197 V201 | Q197-K199 PolarHBondContact O-N 3.31Å; K199-V201 PolarHBondContact O-N 3.18Å; K199-V201 VanDerWaalsContact O-N 3.11Å |
| 200 | D | 86.4 | Confident | 85.7 | Confident | 133 Ų | 133 | 97.8 Ų | 97.8 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | trans | -68.9 | 108.5 | 171.5 | -176.4 | 10.1 | 0 | 0 | 0 | 110.2 | S202 | D200-S202 WeakPolarHBondContact OD1-CB 3.3Å; D200-S202 PolarHBondContact OD1-N 3.36Å; D200-S202 PolarHBondContact OD1-OG 3.11Å | ||
| 201 | V | 87.6 | Confident | 85.9 | Confident | 22 Ų | 22 | 96.4 Ų | 96.4 | 13% | 0.133 | 51% | 0.509 | C | S | . | . | trans | -101.7 | 9.8 | 176.5 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | K199 R203 M204 R205 | K199-V201 PolarHBondContact O-N 3.18Å; K199-V201 VanDerWaalsContact O-N 3.11Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 3.03Å; V201-M204 HydrophobicContact CB-CE 3.99Å; V201-M204 HydrophobicContact CG1-CE 3.89Å; V201-M204 PolarHBondContact O-N 3.22Å; V201-M204 VanDerWaalsContact O-N 3.14Å; V201-R205 HydrophobicContact CG2-CG 4.37Å; V201-R205 WeakPolarHBondContact O-CB 3.4Å; V201-R205 WeakPolarHBondContact O-CG 3.43Å; V201-R205 PolarHBondContact O-N 2.56Å | ||
| 202 | S | 87.9 | Confident | 86 | Confident | 75 Ų | 75 | 97.6 Ų | 97.6 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59 | -41 | -175.5 | -56 | 0 | 0 | 0 | 0 | 112 | D200 R205 S206 | D200-S202 WeakPolarHBondContact OD1-CB 3.3Å; D200-S202 PolarHBondContact OD1-N 3.36Å; D200-S202 PolarHBondContact OD1-OG 3.11Å; S202-R205 PolarHBondContact O-N 3.36Å; S202-S206 WeakPolarHBondContact O-CB 3.46Å; S202-S206 PolarHBondContact O-N 3.43Å |
| 203 | R | 90.6 | Very high | 86.4 | Confident | 212 Ų | 212 | 100 Ų | 100 | 80% | 0.8 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -46.4 | 175.9 | -176.7 | 172.7 | -180 | 156 | 0.4 | 112 | V201 S206 V207 | V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 3.03Å; R203-S206 PolarHBondContact O-N 3.06Å; R203-V207 WeakPolarHBondContact O-CG2 3.36Å; R203-V207 PolarHBondContact O-N 2.82Å |
| 204 | M | 90.4 | Very high | 86.7 | Confident | 111 Ų | 111 | 95.6 Ų | 95.6 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 178.4 | -176.5 | 179 | 69 | 0 | 0 | 111 | V201 S206 V207 L208 | V201-M204 HydrophobicContact CB-CE 3.99Å; V201-M204 HydrophobicContact CG1-CE 3.89Å; V201-M204 PolarHBondContact O-N 3.22Å; V201-M204 VanDerWaalsContact O-N 3.14Å; M204-S206 VanDerWaalsContact C-N 3.35Å; M204-S206 PolarHBondContact O-N 3.29Å; M204-V207 PolarHBondContact O-N 3.5Å; M204-L208 HydrophobicContact CG-CD1 4.2Å; M204-L208 WeakPolarHBondContact O-CG 3.25Å; M204-L208 PolarHBondContact O-N 3.01Å |
| 205 | R | 88.8 | Confident | 86.6 | Confident | 46 Ų | 46 | 94.5 Ų | 94.5 | 17% | 0.174 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.2 | -74.3 | 176.7 | 161.1 | -171.5 | -15.3 | 111.6 | D189 F190 N191 V201 S202 V207 L208 I209 | D189-R205 PolarHBondContact O-NH2 3.4Å; F190-R205 HydrophobicContact CD1-CB 4.17Å; F190-R205 HydrophobicContact CD1-CG 4.06Å; F190-R205 HydrophobicContact CE1-CB 4.25Å; F190-R205 HydrophobicContact CE1-CG 4.26Å; N191-R205 PolarHBondContact O-NH2 3.27Å; V201-R205 HydrophobicContact CG2-CG 4.37Å; V201-R205 WeakPolarHBondContact O-CB 3.4Å; V201-R205 WeakPolarHBondContact O-CG 3.43Å; V201-R205 PolarHBondContact O-N 2.56Å; S202-R205 PolarHBondContact O-N 3.36Å; R205-V207 VanDerWaalsContact C-N 3.33Å; R205-V207 PolarHBondContact O-N 3.24Å; R205-L208 PolarHBondContact O-N 3.42Å; R205-I209 WeakPolarHBondContact O-CB 3.45Å; R205-I209 VanDerWaalsContact O-CG1 3.28Å; R205-I209 WeakPolarHBondContact O-CG1 3.4Å; R205-I209 PolarHBondContact O-N 3.17Å |
| 206 | S | 90.8 | Very high | 86.8 | Confident | 78 Ų | 78 | 98.3 Ų | 98.3 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | S202 R203 M204 S210 | S202-S206 WeakPolarHBondContact O-CB 3.46Å; S202-S206 PolarHBondContact O-N 3.43Å; R203-S206 PolarHBondContact O-N 3.06Å; M204-S206 VanDerWaalsContact C-N 3.35Å; M204-S206 PolarHBondContact O-N 3.29Å; S206-S210 WeakPolarHBondContact O-CB 3.23Å; S206-S210 PolarHBondContact O-N 2.74Å |
| 207 | V | 92.7 | Very high | 86.3 | Confident | 74 Ų | 74 | 95.7 Ų | 95.7 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 178 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | R203 M204 R205 I209 S210 L211 | R203-V207 WeakPolarHBondContact O-CG2 3.36Å; R203-V207 PolarHBondContact O-N 2.82Å; M204-V207 PolarHBondContact O-N 3.5Å; R205-V207 VanDerWaalsContact C-N 3.33Å; R205-V207 PolarHBondContact O-N 3.24Å; V207-I209 PolarHBondContact O-N 2.92Å; V207-S210 WeakPolarHBondContact O-CB 3.43Å; V207-S210 PolarHBondContact O-N 3.44Å; V207-L211 HydrophobicContact CG1-CD1 3.62Å; V207-L211 HydrophobicContact CG1-CG 4.41Å; V207-L211 WeakPolarHBondContact O-CD1 3.46Å; V207-L211 VanDerWaalsContact O-CG 3.25Å; V207-L211 WeakPolarHBondContact O-CG 3.45Å; V207-L211 PolarHBondContact O-N 3.34Å |
| 208 | L | 91.3 | Very high | 85.4 | Confident | 30 Ų | 30 | 101.8 Ų | 101.8 | 16% | 0.157 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 179.4 | -68.5 | 172.8 | 0 | 0 | 0 | 112.8 | W181 V184 F190 M204 R205 L211 K212 | W181-L208 HydrophobicContact CE3-CD2 4.26Å; W181-L208 HydrophobicContact CZ3-CD2 3.84Å; V184-L208 HydrophobicContact CG1-CD2 3.99Å; F190-L208 HydrophobicContact CE1-CB 4.04Å; F190-L208 HydrophobicContact CE1-CD1 4.46Å; F190-L208 HydrophobicContact CZ-CB 3.84Å; F190-L208 HydrophobicContact CZ-CD1 4.4Å; M204-L208 HydrophobicContact CG-CD1 4.2Å; M204-L208 WeakPolarHBondContact O-CG 3.25Å; M204-L208 PolarHBondContact O-N 3.01Å; R205-L208 PolarHBondContact O-N 3.42Å; L208-L211 PolarHBondContact O-N 2.86Å; L208-K212 PolarHBondContact O-N 3.37Å |
| 209 | I | 90.4 | Very high | 85.6 | Confident | 64 Ų | 64 | 101.2 Ų | 101.2 | 33% | 0.328 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 175.1 | -68.3 | 167.2 | 0 | 0 | 0 | 110.6 | F190 R205 V207 L211 K212 Q213 | F190-I209 HydrophobicContact CD1-CD1 3.85Å; F190-I209 HydrophobicContact CD1-CG1 3.9Å; F190-I209 HydrophobicContact CE1-CD1 4.15Å; F190-I209 HydrophobicContact CE1-CG1 3.74Å; F190-I209 HydrophobicContact CG-CD1 4.37Å; F190-I209 HydrophobicContact CG-CG1 4.41Å; F190-I209 HydrophobicContact CZ-CG1 4.11Å; R205-I209 WeakPolarHBondContact O-CB 3.45Å; R205-I209 VanDerWaalsContact O-CG1 3.28Å; R205-I209 WeakPolarHBondContact O-CG1 3.4Å; R205-I209 PolarHBondContact O-N 3.17Å; V207-I209 PolarHBondContact O-N 2.92Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.27Å; I209-K212 WeakPolarHBondContact O-CB 3.38Å; I209-K212 PolarHBondContact O-N 2.97Å; I209-Q213 HydrophobicContact CG2-CG 4.43Å; I209-Q213 WeakPolarHBondContact O-CG 3.49Å; I209-Q213 PolarHBondContact O-N 3.01Å |
| 210 | S | 91.1 | Very high | 85.6 | Confident | 64 Ų | 64 | 97.3 Ų | 97.3 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | S206 V207 K212 Q213 T214 | S206-S210 WeakPolarHBondContact O-CB 3.23Å; S206-S210 PolarHBondContact O-N 2.74Å; V207-S210 WeakPolarHBondContact O-CB 3.43Å; V207-S210 PolarHBondContact O-N 3.44Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 2.75Å; S210-Q213 PolarHBondContact O-N 3.12Å; S210-T214 PolarHBondContact O-N 3.17Å |
| 211 | L | 90.2 | Very high | 85.6 | Confident | 25 Ų | 25 | 95.3 Ų | 95.3 | 13% | 0.131 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -70.6 | -29.9 | -179.5 | -68.6 | 163.5 | 0 | 0 | 0 | 112.5 | W181 V207 L208 I209 T214 P215 L216 | W181-L211 VanDerWaalsContact CB-C 3.49Å; W181-L211 HydrophobicContact CB-CB 4.12Å; W181-L211 VanDerWaalsContact CB-O 3.23Å; W181-L211 WeakPolarHBondContact CB-O 3.39Å; W181-L211 HydrophobicContact CD2-CB 3.42Å; W181-L211 VanDerWaalsContact CD2-CB 3.42Å; W181-L211 HydrophobicContact CD2-CD1 4.02Å; W181-L211 HydrophobicContact CD2-CG 4.18Å; W181-L211 HydrophobicContact CE3-CB 3.75Å; W181-L211 HydrophobicContact CE3-CD1 3.87Å; W181-L211 HydrophobicContact CE3-CG 4.41Å; W181-L211 HydrophobicContact CG-CB 3.57Å; W181-L211 HydrophobicContact CH2-CD1 3.54Å; W181-L211 HydrophobicContact CZ2-CB 4.46Å; W181-L211 HydrophobicContact CZ2-CD1 3.66Å; W181-L211 HydrophobicContact CZ2-CD2 4.21Å; W181-L211 HydrophobicContact CZ2-CG 4.33Å; W181-L211 HydrophobicContact CZ3-CB 4.4Å; W181-L211 HydrophobicContact CZ3-CD1 3.63Å; V207-L211 HydrophobicContact CG1-CD1 3.62Å; V207-L211 HydrophobicContact CG1-CG 4.41Å; V207-L211 WeakPolarHBondContact O-CD1 3.46Å; V207-L211 VanDerWaalsContact O-CG 3.25Å; V207-L211 WeakPolarHBondContact O-CG 3.45Å; V207-L211 PolarHBondContact O-N 3.34Å; L208-L211 PolarHBondContact O-N 2.86Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.27Å; L211-T214 CarbonylContact O-C 3.49Å; L211-P215 WeakPolarHBondContact O-CA 3.32Å; L211-L216 HydrophobicContact CD2-CD1 4.06Å; L211-L216 HydrophobicContact CD2-CD2 4.07Å; L211-L216 HydrophobicContact CD2-CG 3.82Å |
| 212 | K | 87.6 | Confident | 85.5 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 169.9 | -176.6 | -167.9 | -173.2 | 176.6 | 0 | 112 | A185 L208 I209 S210 | A185-K212 HydrophobicContact CB-CB 4.11Å; A185-K212 HydrophobicContact CB-CD 3.59Å; A185-K212 HydrophobicContact CB-CG 4Å; L208-K212 PolarHBondContact O-N 3.37Å; I209-K212 WeakPolarHBondContact O-CB 3.38Å; I209-K212 PolarHBondContact O-N 2.97Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 2.75Å |
| 213 | Q | 87.4 | Confident | 85.3 | Confident | 148 Ų | 148 | 101.2 Ų | 101.2 | 69% | 0.692 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -79.5 | -33.3 | -175.6 | -71.3 | 176.1 | -20.1 | 0 | 0 | 112.9 | I209 S210 | I209-Q213 HydrophobicContact CG2-CG 4.43Å; I209-Q213 WeakPolarHBondContact O-CG 3.49Å; I209-Q213 PolarHBondContact O-N 3.01Å; S210-Q213 PolarHBondContact O-N 3.12Å |
| 214 | T | 88 | Confident | 84.9 | Confident | 98 Ų | 98 | 93.8 Ų | 93.8 | 60% | 0.601 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -133.9 | 84.9 | -179.9 | -50.3 | 0 | 0 | 0 | 0 | 107.6 | S210 L211 | S210-T214 PolarHBondContact O-N 3.17Å; L211-T214 CarbonylContact O-C 3.49Å |
| 215 | P | 79.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 92.6 Ų | 92.6 | 29% | 0.292 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 145.9 | 175.3 | -20.5 | 31.9 | 0 | 0 | 0 | 110.1 | G178 L211 V217 | G178-P215 WeakPolarHBondContact O-CG 3.38Å; L211-P215 WeakPolarHBondContact O-CA 3.32Å; P215-V217 PolarHBondContact O-N 3.1Å; P215-V217 VanDerWaalsContact O-N 3.12Å |
| 216 | L | 80 | Confident | 84.2 | Confident | 120 Ų | 120 | 96.2 Ų | 96.2 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -65 | 116.8 | 174.8 | -61.7 | 173.9 | 0 | 0 | 0 | 108 | L211 R218 | L211-L216 HydrophobicContact CD2-CD1 4.06Å; L211-L216 HydrophobicContact CD2-CD2 4.07Å; L211-L216 HydrophobicContact CD2-CG 3.82Å; L216-R218 PolarHBondContact O-N 2.92Å |
| 217 | V | 66.7 | Low | 83.7 | Confident | 146 Ų | 146 | 97.7 Ų | 97.7 | 89% | 0.885 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 117.7 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 107 | P215 | P215-V217 PolarHBondContact O-N 3.1Å; P215-V217 VanDerWaalsContact O-N 3.12Å |
| 218 | R | 58.9 | Low | 82.9 | Confident | 261 Ų | 261 | 99.8 Ų | 99.8 | 99% | 0.985 | 51% | 0.506 | S | S | * | . | trans | -94.3 | 0 | 167.9 | -76.6 | -168.3 | -176.4 | 125.7 | 1 | 109.5 | E180 L216 | E180-R218 IonicContact OE1-CZ 3.74Å; E180-R218 IonicContact OE1-NH1 2.68Å; E180-R218 PolarHBondContact OE1-NH1 2.94Å; L216-R218 PolarHBondContact O-N 2.92Å |
Retrieved 218 of 218 residues in 32.6 ms
(Link to these results)