| 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 | 38.1 | Very low | 50.6 | Low | 217 Ų | 217 | 117 Ų | 117 | 100% | 1.069 | 58% | 0.58 | S | S | * | * | 0 | -31.5 | 0 | -96.6 | 179 | -166 | 0 | 0 | 114.8 | D3 | M1-D3 PolarHBondContact O-N 3.3Š| |||
| 2 | R | 36.3 | Very low | 53 | Low | 232 Ų | 232 | 121.4 Ų | 121.4 | 88% | 0.875 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.1 | -31.1 | -179.4 | -71.5 | 179.6 | -178.6 | 156.8 | 0.6 | 114.3 | ||
| 3 | D | 41.3 | Very low | 55.2 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 62% | 0.615 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.7 | -37 | -179.3 | -61.5 | -47.1 | 0 | 0 | 0 | 113.6 | M1 F5 N6 V7 | M1-D3 PolarHBondContact O-N 3.3Å; D3-F5 VanDerWaalsContact C-N 3.32Å; D3-F5 PolarHBondContact O-N 3.45Å; D3-N6 PolarHBondContact O-N 3.29Å; D3-V7 WeakPolarHBondContact O-CG2 3.44Å; D3-V7 PolarHBondContact O-N 3.38Å; D3-V7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 34.6 | Very low | 57.4 | Low | 143 Ų | 143 | 108.9 Ų | 108.9 | 75% | 0.749 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -33.6 | 179.2 | -94.2 | 121.8 | 0 | 0 | 0 | 113 | N6 G8 | L4-N6 VanDerWaalsContact C-N 3.34Å; L4-G8 PolarHBondContact O-N 3.19Å; L4-G8 VanDerWaalsContact O-N 3.08Å |
| 5 | F | 32.3 | Very low | 59.3 | Low | 171 Ų | 171 | 111.3 Ų | 111.3 | 75% | 0.75 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.7 | -34.2 | 179.9 | -149.4 | -95 | 0 | 0 | 0 | 111.9 | D3 | D3-F5 VanDerWaalsContact C-N 3.32Å; D3-F5 PolarHBondContact O-N 3.45Å |
| 6 | N | 49.2 | Very low | 61 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 66% | 0.658 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.3 | -34.7 | 178.5 | -148.5 | 18.2 | 0 | 0 | 0 | 111.9 | D3 L4 N9 L10 | D3-N6 PolarHBondContact O-N 3.29Å; L4-N6 VanDerWaalsContact C-N 3.34Å; N6-N9 PolarHBondContact O-N 3.32Å; N6-L10 PolarHBondContact O-N 3.42Å |
| 7 | V | 50.7 | Low | 62.3 | Low | 59 Ų | 59 | 105.1 Ų | 105.1 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | D3 N9 L10 F11 | D3-V7 WeakPolarHBondContact O-CG2 3.44Å; D3-V7 PolarHBondContact O-N 3.38Å; D3-V7 VanDerWaalsContact O-N 3.1Å; V7-N9 VanDerWaalsContact C-N 3.3Å; V7-N9 PolarHBondContact O-N 3.03Å; V7-L10 WeakPolarHBondContact O-CB 3.44Å; V7-L10 PolarHBondContact O-N 3.31Å; V7-L10 VanDerWaalsContact O-N 3.16Å; V7-F11 HydrophobicContact CG1-CD2 3.61Å; V7-F11 HydrophobicContact CG1-CE2 3.31Å; V7-F11 WeakPolarHBondContact O-CD2 3.48Å; V7-F11 PolarHBondContact O-N 3.42Å |
| 8 | G | 56.7 | Low | 63.7 | Low | 37 Ų | 37 | 102.5 Ų | 102.5 | 38% | 0.381 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L4 R12 | L4-G8 PolarHBondContact O-N 3.19Å; L4-G8 VanDerWaalsContact O-N 3.08Å; G8-R12 VanDerWaalsContact O-CG 3.26Å; G8-R12 WeakPolarHBondContact O-CG 3.46Å; G8-R12 PolarHBondContact O-N 3.07Å |
| 9 | N | 72.5 | Confident | 64.9 | Low | 73 Ų | 73 | 104.6 Ų | 104.6 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 173.6 | -88.6 | -17.6 | 0 | 0 | 0 | 112.4 | N6 V7 F11 R12 N13 | N6-N9 PolarHBondContact O-N 3.32Å; V7-N9 VanDerWaalsContact C-N 3.3Å; V7-N9 PolarHBondContact O-N 3.03Å; N9-F11 PolarHBondContact O-N 3.35Å; N9-R12 PolarHBondContact O-N 2.94Å; N9-N13 WeakPolarHBondContact O-CB 3.49Å; N9-N13 PolarHBondContact O-N 3.32Å; N9-N13 PolarHBondContact O-ND2 3.34Å |
| 10 | L | 69.9 | Low | 65.8 | Low | 31 Ų | 31 | 102.9 Ų | 102.9 | 16% | 0.162 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -55.7 | -50.9 | 177.4 | -175.3 | 71.5 | 0 | 0 | 0 | 111.9 | N6 V7 R12 N13 V14 R117 | N6-L10 PolarHBondContact O-N 3.42Å; V7-L10 WeakPolarHBondContact O-CB 3.44Å; V7-L10 PolarHBondContact O-N 3.31Å; V7-L10 VanDerWaalsContact O-N 3.16Å; L10-R12 PolarHBondContact O-N 3.46Å; L10-N13 WeakPolarHBondContact O-CB 3.49Å; L10-N13 PolarHBondContact O-N 3.05Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 2.82Å; L10-R117 HydrophobicContact CD1-CB 3.32Å; L10-R117 HydrophobicContact CD1-CG 4.21Å; L10-R117 HydrophobicContact CG-CB 4.44Å |
| 11 | F | 75.3 | Confident | 66.7 | Low | 86 Ų | 86 | 98.2 Ų | 98.2 | 38% | 0.377 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | -179.8 | -79.4 | -69.8 | 0 | 0 | 0 | 113 | V7 N9 N13 K15 I115 | V7-F11 HydrophobicContact CG1-CD2 3.61Å; V7-F11 HydrophobicContact CG1-CE2 3.31Å; V7-F11 WeakPolarHBondContact O-CD2 3.48Å; V7-F11 PolarHBondContact O-N 3.42Å; N9-F11 PolarHBondContact O-N 3.35Å; F11-N13 VanDerWaalsContact C-N 3.32Å; F11-K15 WeakPolarHBondContact O-CB 3.36Å; F11-K15 VanDerWaalsContact O-CG 3.28Å; F11-K15 WeakPolarHBondContact O-CG 3.45Å; F11-K15 PolarHBondContact O-N 3.36Å; F11-I115 HydrophobicContact CD1-CD1 4.46Å; F11-I115 HydrophobicContact CE1-CD1 3.4Å; F11-I115 VanDerWaalsContact CE1-CD1 3.4Å; F11-I115 HydrophobicContact CZ-CD1 3.95Å |
| 12 | R | 78.8 | Confident | 68.9 | Low | 170 Ų | 170 | 90.8 Ų | 90.8 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 176.5 | -69.5 | 174.5 | 93.1 | 163.8 | 7.9 | 110.5 | G8 N9 L10 K15 N16 | G8-R12 VanDerWaalsContact O-CG 3.26Å; G8-R12 WeakPolarHBondContact O-CG 3.46Å; G8-R12 PolarHBondContact O-N 3.07Å; N9-R12 PolarHBondContact O-N 2.94Å; L10-R12 PolarHBondContact O-N 3.46Å; R12-K15 PolarHBondContact O-N 2.74Å; R12-N16 WeakPolarHBondContact O-CB 3.43Å; R12-N16 PolarHBondContact O-N 2.85Å; R12-N16 PolarHBondContact O-ND2 3.49Å; R12-N16 PolarHBondContact O-OD1 2.94Å |
| 13 | N | 82.6 | Confident | 71 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | -179.9 | -83.5 | -2.5 | 0 | 0 | 0 | 112.9 | N9 L10 F11 N16 L17 R117 | N9-N13 WeakPolarHBondContact O-CB 3.49Å; N9-N13 PolarHBondContact O-N 3.32Å; N9-N13 PolarHBondContact O-ND2 3.34Å; L10-N13 WeakPolarHBondContact O-CB 3.49Å; L10-N13 PolarHBondContact O-N 3.05Å; F11-N13 VanDerWaalsContact C-N 3.32Å; N13-N16 PolarHBondContact O-N 3.04Å; N13-L17 PolarHBondContact O-N 2.97Å; N13-L17 VanDerWaalsContact O-N 3.13Å; N13-R117 PolarHBondContact O-NH1 3.48Å |
| 14 | V | 84.8 | Confident | 72.8 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 6% | 0.061 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L10 N16 L17 N18 N107 R117 | L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 2.82Å; V14-N16 VanDerWaalsContact C-N 3.35Å; V14-N16 PolarHBondContact O-N 2.94Å; V14-L17 PolarHBondContact O-N 2.86Å; V14-N18 PolarHBondContact O-N 2.63Å; V14-N107 PolarHBondContact O-ND2 3.48Å; V14-R117 HydrophobicContact CG2-CB 3.85Å; V14-R117 HydrophobicContact CG2-CG 4.32Å |
| 15 | K | 86 | Confident | 74.9 | Confident | 146 Ų | 146 | 76.2 Ų | 76.2 | 64% | 0.635 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 179 | -75.8 | 179.3 | 179.3 | -174.9 | 0 | 112.4 | F11 R12 N18 K19 | F11-K15 WeakPolarHBondContact O-CB 3.36Å; F11-K15 VanDerWaalsContact O-CG 3.28Å; F11-K15 WeakPolarHBondContact O-CG 3.45Å; F11-K15 PolarHBondContact O-N 3.36Å; R12-K15 PolarHBondContact O-N 2.74Å; K15-N18 PolarHBondContact O-N 2.99Å; K15-K19 VanDerWaalsContact O-CB 3.28Å; K15-K19 WeakPolarHBondContact O-CB 3.17Å; K15-K19 PolarHBondContact O-N 3.39Å |
| 16 | N | 86.8 | Confident | 77.3 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 54% | 0.54 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 179.6 | -72 | -11.5 | 0 | 0 | 0 | 111.1 | R12 N13 V14 K19 L20 | R12-N16 WeakPolarHBondContact O-CB 3.43Å; R12-N16 PolarHBondContact O-N 2.85Å; R12-N16 PolarHBondContact O-ND2 3.49Å; R12-N16 PolarHBondContact O-OD1 2.94Å; N13-N16 PolarHBondContact O-N 3.04Å; V14-N16 VanDerWaalsContact C-N 3.35Å; V14-N16 PolarHBondContact O-N 2.94Å; N16-K19 PolarHBondContact O-N 3.11Å; N16-L20 PolarHBondContact O-N 3.03Å |
| 17 | L | 83.7 | Confident | 78.6 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 179.4 | -159.7 | 65 | 0 | 0 | 0 | 111.7 | N13 V14 K19 L20 N21 W37 V103 N107 V118 | N13-L17 PolarHBondContact O-N 2.97Å; N13-L17 VanDerWaalsContact O-N 3.13Å; V14-L17 PolarHBondContact O-N 2.86Å; L17-K19 PolarHBondContact O-N 2.74Å; L17-L20 WeakPolarHBondContact O-CB 3.38Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-N21 PolarHBondContact O-N 3.1Å; L17-N21 PolarHBondContact O-OD1 3.18Å; L17-W37 HydrophobicContact CD1-CH2 3.41Å; L17-W37 VanDerWaalsContact CD1-CH2 3.41Å; L17-W37 HydrophobicContact CD1-CZ2 3.47Å; L17-W37 VanDerWaalsContact CD1-CZ2 3.47Å; L17-W37 HydrophobicContact CD1-CZ3 4.08Å; L17-W37 HydrophobicContact CD2-CH2 4.31Å; L17-W37 HydrophobicContact CD2-CZ2 4.46Å; L17-W37 HydrophobicContact CG-CH2 4.22Å; L17-W37 HydrophobicContact CG-CZ2 4.06Å; L17-V103 HydrophobicContact CD2-CG1 3.71Å; L17-N107 WeakPolarHBondContact CB-ND2 3.28Å; L17-N107 HydrophobicContact CD2-CB 4.07Å; L17-V118 WeakPolarHBondContact CD2-O 3.3Å |
| 18 | N | 86.4 | Confident | 79.7 | Confident | 59 Ų | 59 | 72.5 Ų | 72.5 | 32% | 0.316 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | 177 | -69.5 | -6.5 | 0 | 0 | 0 | 111.8 | V14 K15 A22 N107 | V14-N18 PolarHBondContact O-N 2.63Å; K15-N18 PolarHBondContact O-N 2.99Å; N18-A22 WeakPolarHBondContact O-CB 3.44Å; N18-A22 PolarHBondContact O-N 2.95Å; N18-N107 PolarHBondContact OD1-ND2 3.34Å |
| 19 | K | 87 | Confident | 80.2 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 173.4 | -171.3 | 176.3 | -178 | -179.5 | 0 | 111.7 | K15 N16 L17 A22 L23 | K15-K19 VanDerWaalsContact O-CB 3.28Å; K15-K19 WeakPolarHBondContact O-CB 3.17Å; K15-K19 PolarHBondContact O-N 3.39Å; N16-K19 PolarHBondContact O-N 3.11Å; L17-K19 PolarHBondContact O-N 2.74Å; K19-A22 PolarHBondContact O-N 3.27Å; K19-L23 HydrophobicContact CG-CD1 4.35Å; K19-L23 WeakPolarHBondContact O-CB 3.39Å; K19-L23 VanDerWaalsContact O-CG 3.28Å; K19-L23 WeakPolarHBondContact O-CG 3.27Å; K19-L23 PolarHBondContact O-N 3.01Å |
| 20 | L | 83.8 | Confident | 79.6 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 176.7 | -156.3 | 172.7 | 0 | 0 | 0 | 110.2 | N16 L17 A22 L23 E24 W37 | N16-L20 PolarHBondContact O-N 3.03Å; L17-L20 WeakPolarHBondContact O-CB 3.38Å; L17-L20 PolarHBondContact O-N 3.07Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.2Å; L20-L23 WeakPolarHBondContact O-CB 3.3Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-L23 VanDerWaalsContact O-N 3.16Å; L20-E24 PolarHBondContact O-N 3.28Å; L20-W37 HydrophobicContact CD1-CB 4.44Å; L20-W37 HydrophobicContact CD1-CD2 4.41Å; L20-W37 HydrophobicContact CD1-CG 4.16Å; L20-W37 HydrophobicContact CD2-CB 4.01Å; L20-W37 HydrophobicContact CD2-CD2 4.45Å; L20-W37 HydrophobicContact CD2-CG 3.62Å |
| 21 | N | 84.3 | Confident | 79 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.032 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177.4 | -67.7 | 5.4 | 0 | 0 | 0 | 112.2 | L17 L23 E24 L25 W37 D104 | L17-N21 PolarHBondContact O-N 3.1Å; L17-N21 PolarHBondContact O-OD1 3.18Å; N21-L23 VanDerWaalsContact C-N 3.34Å; N21-L23 PolarHBondContact O-N 2.62Å; N21-E24 PolarHBondContact O-N 3.43Å; N21-L25 PolarHBondContact O-N 3.21Å; N21-W37 PolarHBondContact OD1-NE1 3.1Å; N21-D104 PolarHBondContact ND2-OD1 3.03Å |
| 22 | A | 84.9 | Confident | 78.2 | Confident | 60 Ų | 60 | 76.6 Ų | 76.6 | 50% | 0.496 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | N18 K19 L20 S26 | N18-A22 WeakPolarHBondContact O-CB 3.44Å; N18-A22 PolarHBondContact O-N 2.95Å; K19-A22 PolarHBondContact O-N 3.27Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.2Å; A22-S26 PolarHBondContact O-N 2.92Å |
| 23 | L | 80.2 | Confident | 77.5 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175 | -73.7 | 170 | 0 | 0 | 0 | 111.4 | K19 L20 N21 L25 S26 L27 | K19-L23 HydrophobicContact CG-CD1 4.35Å; K19-L23 WeakPolarHBondContact O-CB 3.39Å; K19-L23 VanDerWaalsContact O-CG 3.28Å; K19-L23 WeakPolarHBondContact O-CG 3.27Å; K19-L23 PolarHBondContact O-N 3.01Å; L20-L23 WeakPolarHBondContact O-CB 3.3Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-L23 VanDerWaalsContact O-N 3.16Å; N21-L23 VanDerWaalsContact C-N 3.34Å; N21-L23 PolarHBondContact O-N 2.62Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.14Å; L23-S26 WeakPolarHBondContact CA-OG 3.31Å; L23-S26 PolarHBondContact O-N 2.96Å; L23-S26 VanDerWaalsContact O-N 3.12Å; L23-S26 PolarHBondContact O-OG 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.99Å |
| 24 | E | 79.4 | Confident | 76.9 | Confident | 14 Ų | 14 | 77.2 Ų | 77.2 | 7% | 0.065 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 177.2 | -171.5 | 178.8 | 170.2 | 0 | 0 | 112.1 | L20 N21 L27 G28 T29 S36 | L20-E24 PolarHBondContact O-N 3.28Å; N21-E24 PolarHBondContact O-N 3.43Å; E24-L27 PolarHBondContact O-N 2.92Å; E24-G28 PolarHBondContact O-N 3.08Å; E24-T29 PolarHBondContact O-N 2.77Å; E24-S36 WeakPolarHBondContact OE1-CA 3.42Å; E24-S36 WeakPolarHBondContact OE1-CB 3.45Å; E24-S36 PolarHBondContact OE1-OG 3.17Å; E24-S36 PolarHBondContact OE2-OG 3.02Å |
| 25 | L | 78.7 | Confident | 76.4 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 173.9 | -166.1 | 82.7 | 0 | 0 | 0 | 111.3 | N21 L23 L27 G28 R254 Y255 | N21-L25 PolarHBondContact O-N 3.21Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.14Å; L25-L27 PolarHBondContact O-N 3.23Å; L25-G28 PolarHBondContact O-N 3.41Å; L25-G28 VanDerWaalsContact O-N 3.14Å; L25-R254 WeakPolarHBondContact CD1-O 3.35Å; L25-Y255 HydrophobicContact CD1-CD1 3.41Å; L25-Y255 VanDerWaalsContact CD1-CD1 3.41Å; L25-Y255 HydrophobicContact CD1-CE1 3.44Å; L25-Y255 VanDerWaalsContact CD1-CE1 3.44Å; L25-Y255 HydrophobicContact CD1-CG 4.25Å |
| 26 | S | 80.8 | Confident | 76.2 | Confident | 89 Ų | 89 | 79 Ų | 79 | 62% | 0.622 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.4 | -29.7 | -178.9 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | A22 L23 G28 | A22-S26 PolarHBondContact O-N 2.92Å; L23-S26 WeakPolarHBondContact CA-OG 3.31Å; L23-S26 PolarHBondContact O-N 2.96Å; L23-S26 VanDerWaalsContact O-N 3.12Å; L23-S26 PolarHBondContact O-OG 3.37Å; S26-G28 VanDerWaalsContact C-N 3.3Å |
| 27 | L | 78.2 | Confident | 76.2 | Confident | 131 Ų | 131 | 76.5 Ų | 76.5 | 69% | 0.686 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.4 | 179.5 | -67.4 | 169.3 | 0 | 0 | 0 | 112.8 | L23 E24 L25 T29 | L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.99Å; E24-L27 PolarHBondContact O-N 2.92Å; L25-L27 PolarHBondContact O-N 3.23Å; L27-T29 PolarHBondContact O-N 3.12Å |
| 28 | G | 73.7 | Confident | 76.4 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 57% | 0.567 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 13.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E24 L25 S26 A30 | E24-G28 PolarHBondContact O-N 3.08Å; L25-G28 PolarHBondContact O-N 3.41Å; L25-G28 VanDerWaalsContact O-N 3.14Å; S26-G28 VanDerWaalsContact C-N 3.3Å; G28-A30 VanDerWaalsContact C-N 3.25Å; G28-A30 PolarHBondContact O-N 3.28Å |
| 29 | T | 66.8 | Low | 76.5 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -75.1 | -20.5 | -177.9 | -51 | 0 | 0 | 0 | 0 | 112.2 | E24 L27 E31 K32 R35 | E24-T29 PolarHBondContact O-N 2.77Å; L27-T29 PolarHBondContact O-N 3.12Å; T29-E31 PolarHBondContact O-N 3.25Å; T29-E31 VanDerWaalsContact O-N 3.13Å; T29-K32 PolarHBondContact O-N 3.36Å; T29-R35 HydrophobicContact CG2-CB 3.22Å; T29-R35 HydrophobicContact CG2-CG 4.32Å |
| 30 | A | 59.8 | Low | 76.6 | Confident | 18 Ų | 18 | 76 Ų | 76 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -60.6 | -23 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G28 K32 Y255 | G28-A30 VanDerWaalsContact C-N 3.25Å; G28-A30 PolarHBondContact O-N 3.28Å; A30-K32 PolarHBondContact O-N 3Å; A30-Y255 HydrophobicContact CB-CD1 3.43Å; A30-Y255 VanDerWaalsContact CB-CD1 3.43Å; A30-Y255 HydrophobicContact CB-CE1 3.25Å |
| 31 | E | 56.5 | Low | 76.9 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -65.8 | -17.8 | 178.7 | -108 | 173.4 | -152.5 | 0 | 0 | 113.4 | T29 R257 | T29-E31 PolarHBondContact O-N 3.25Å; T29-E31 VanDerWaalsContact O-N 3.13Å; E31-R257 VanDerWaalsContact CD-NH2 3.25Å; E31-R257 IonicContact OE1-CZ 3.43Å; E31-R257 VanDerWaalsContact OE1-CZ 3.23Å; E31-R257 IonicContact OE1-NE 3.23Å; E31-R257 PolarHBondContact OE1-NE 2.99Å; E31-R257 VanDerWaalsContact OE1-NE 3.12Å; E31-R257 IonicContact OE1-NH2 3.28Å; E31-R257 PolarHBondContact OE1-NH2 3.47Å; E31-R257 IonicContact OE2-NH2 2.62Å; E31-R257 PolarHBondContact OE2-NH2 3Å |
| 32 | K | 59.8 | Low | 77.2 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 55% | 0.548 | 41% | 0.411 | S | S | . | . | trans | -125 | 103.2 | 176.1 | -67.8 | -176.6 | 179.6 | -175.1 | 0 | 109.4 | T29 A30 E34 R35 | T29-K32 PolarHBondContact O-N 3.36Å; A30-K32 PolarHBondContact O-N 3Å; K32-E34 PolarHBondContact O-N 3.12Å; K32-R35 PolarHBondContact O-N 2.72Å | ||
| 33 | T | 63.9 | Low | 77.4 | Confident | 90 Ų | 90 | 83.6 Ų | 83.6 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -46.2 | -31.8 | 175.3 | -49 | 0 | 0 | 0 | 0 | 112.4 | R35 S36 | T33-R35 VanDerWaalsContact C-N 3.26Å; T33-R35 PolarHBondContact O-N 3.35Å; T33-S36 VanDerWaalsContact O-CB 3.27Å; T33-S36 WeakPolarHBondContact O-CB 3.47Å; T33-S36 PolarHBondContact O-N 3.39Å; T33-S36 VanDerWaalsContact O-N 3.14Å |
| 34 | E | 68.5 | Low | 78 | Confident | 151 Ų | 151 | 79.7 Ų | 79.7 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -60.1 | -26.4 | 178.2 | -61.3 | -170.6 | 152 | 0 | 0 | 115.5 | K32 Q39 | K32-E34 PolarHBondContact O-N 3.12Å; E34-Q39 WeakPolarHBondContact O-CG 3.42Å |
| 35 | R | 75.4 | Confident | 78.7 | Confident | 184 Ų | 184 | 80 Ų | 80 | 69% | 0.694 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -101.4 | -1.8 | 178.9 | -68.5 | -175.9 | 179.1 | 159.2 | -1.6 | 113.3 | T29 K32 T33 | T29-R35 HydrophobicContact CG2-CB 3.22Å; T29-R35 HydrophobicContact CG2-CG 4.32Å; K32-R35 PolarHBondContact O-N 2.72Å; T33-R35 VanDerWaalsContact C-N 3.26Å; T33-R35 PolarHBondContact O-N 3.35Å |
| 36 | S | 82.6 | Confident | 79.5 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -69.1 | 150.7 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | E24 T33 H38 Q39 | E24-S36 WeakPolarHBondContact OE1-CA 3.42Å; E24-S36 WeakPolarHBondContact OE1-CB 3.45Å; E24-S36 PolarHBondContact OE1-OG 3.17Å; E24-S36 PolarHBondContact OE2-OG 3.02Å; T33-S36 VanDerWaalsContact O-CB 3.27Å; T33-S36 WeakPolarHBondContact O-CB 3.47Å; T33-S36 PolarHBondContact O-N 3.39Å; T33-S36 VanDerWaalsContact O-N 3.14Å; S36-H38 PolarHBondContact O-N 2.8Å; S36-H38 PolarHBondContact OG-CD2 2.9Å; S36-H38 PolarHBondContact OG-N 3.42Å; S36-Q39 WeakPolarHBondContact O-CB 3.46Å; S36-Q39 PolarHBondContact O-N 2.62Å |
| 37 | W | 86.2 | Confident | 80.2 | Confident | 48 Ų | 48 | 74 Ų | 74 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -61 | -23 | 170 | 71.4 | -85.9 | 0 | 0 | 0 | 112 | L17 L20 N21 Q39 K40 Y41 V103 H120 | L17-W37 HydrophobicContact CD1-CH2 3.41Å; L17-W37 VanDerWaalsContact CD1-CH2 3.41Å; L17-W37 HydrophobicContact CD1-CZ2 3.47Å; L17-W37 VanDerWaalsContact CD1-CZ2 3.47Å; L17-W37 HydrophobicContact CD1-CZ3 4.08Å; L17-W37 HydrophobicContact CD2-CH2 4.31Å; L17-W37 HydrophobicContact CD2-CZ2 4.46Å; L17-W37 HydrophobicContact CG-CH2 4.22Å; L17-W37 HydrophobicContact CG-CZ2 4.06Å; L20-W37 HydrophobicContact CD1-CB 4.44Å; L20-W37 HydrophobicContact CD1-CD2 4.41Å; L20-W37 HydrophobicContact CD1-CG 4.16Å; L20-W37 HydrophobicContact CD2-CB 4.01Å; L20-W37 HydrophobicContact CD2-CD2 4.45Å; L20-W37 HydrophobicContact CD2-CG 3.62Å; N21-W37 PolarHBondContact OD1-NE1 3.1Å; W37-Q39 PolarHBondContact O-N 3.13Å; W37-K40 PolarHBondContact O-N 2.58Å; W37-Y41 HydrophobicContact CE3-CD2 4.34Å; W37-Y41 AromaticContact CE3-CE2 3.84Å; W37-Y41 HydrophobicContact CE3-CE2 3.84Å; W37-Y41 HydrophobicContact CZ3-CD2 4.16Å; W37-Y41 AromaticContact CZ3-CE2 3.65Å; W37-Y41 HydrophobicContact CZ3-CE2 3.65Å; W37-V103 HydrophobicContact CH2-CG1 3.73Å; W37-V103 HydrophobicContact CZ2-CG1 3.99Å; W37-H120 AromaticContact CH2-CD2 3.52Å; W37-H120 AromaticContact CZ3-CD2 3.62Å |
| 38 | H | 88.6 | Confident | 81 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -59.1 | -26.1 | 172.5 | -63 | -63.6 | 0 | 0 | 0 | 112.8 | S36 K40 Y41 V100 D104 H120 | S36-H38 PolarHBondContact O-N 2.8Å; S36-H38 PolarHBondContact OG-CD2 2.9Å; S36-H38 PolarHBondContact OG-N 3.42Å; H38-K40 PolarHBondContact O-N 2.86Å; H38-K40 VanDerWaalsContact O-N 3.11Å; H38-Y41 PolarHBondContact O-N 3.11Å; H38-V100 HydrophobicContact CB-CG1 4.4Å; H38-V100 HydrophobicContact CB-CG2 3.87Å; H38-V100 VanDerWaalsContact CD2-CG1 3.5Å; H38-V100 WeakPolarHBondContact CD2-CG1 3.1Å; H38-D104 IonicContact CE1-OD1 2.62Å; H38-D104 PolarHBondContact CE1-OD1 2.84Å; H38-D104 IonicContact NE2-OD1 3.26Å; H38-D104 PolarHBondContact NE2-OD1 2.91Å; H38-D104 IonicContact NE2-OD2 3.21Å; H38-H120 AromaticContact CE1-NE2 3.52Å; H38-H120 AromaticContact CG-NE2 3.93Å; H38-H120 AromaticContact ND1-CD2 3.61Å; H38-H120 AromaticContact ND1-CE1 3.83Å; H38-H120 AromaticContact ND1-NE2 2.83Å; H38-H120 PolarHBondContact ND1-NE2 2.94Å |
| 39 | Q | 87.1 | Confident | 82 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -59.2 | -27.8 | -178.1 | -172.2 | 64.6 | 1.5 | 0 | 0 | 112.8 | E34 S36 W37 Y41 K42 | E34-Q39 WeakPolarHBondContact O-CG 3.42Å; S36-Q39 WeakPolarHBondContact O-CB 3.46Å; S36-Q39 PolarHBondContact O-N 2.62Å; W37-Q39 PolarHBondContact O-N 3.13Å; Q39-Y41 PolarHBondContact O-N 3.39Å; Q39-K42 WeakPolarHBondContact O-CB 3.35Å; Q39-K42 WeakPolarHBondContact O-CG 3.27Å; Q39-K42 PolarHBondContact O-N 3.35Å |
| 40 | K | 88.8 | Confident | 83.3 | Confident | 133 Ų | 133 | 66 Ų | 66 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -57.7 | -30.4 | 173.6 | -177.1 | -178.6 | 173.7 | -164.9 | 0 | 112.2 | W37 H38 E122 | W37-K40 PolarHBondContact O-N 2.58Å; H38-K40 PolarHBondContact O-N 2.86Å; H38-K40 VanDerWaalsContact O-N 3.11Å; K40-E122 WeakPolarHBondContact CE-OE2 3.2Å; K40-E122 IonicContact NZ-OE2 3.03Å |
| 41 | Y | 91.6 | Very high | 84.8 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -102.1 | 8.3 | -174.4 | -55.7 | -78.5 | 0 | 0 | 0 | 113.3 | W37 H38 Q39 D43 S44 Q96 H120 E122 | W37-Y41 HydrophobicContact CE3-CD2 4.34Å; W37-Y41 AromaticContact CE3-CE2 3.84Å; W37-Y41 HydrophobicContact CE3-CE2 3.84Å; W37-Y41 HydrophobicContact CZ3-CD2 4.16Å; W37-Y41 AromaticContact CZ3-CE2 3.65Å; W37-Y41 HydrophobicContact CZ3-CE2 3.65Å; H38-Y41 PolarHBondContact O-N 3.11Å; Q39-Y41 PolarHBondContact O-N 3.39Å; Y41-D43 PolarHBondContact O-N 3Å; Y41-S44 PolarHBondContact O-N 3.23Å; Y41-Q96 PolarHBondContact O-NE2 3.16Å; Y41-H120 HydrophobicContact CD1-CB 3.47Å; Y41-H120 VanDerWaalsContact CD1-CB 3.47Å; Y41-H120 HydrophobicContact CD2-CB 3.53Å; Y41-H120 AromaticContact CD2-CD2 3.86Å; Y41-H120 AromaticContact CD2-CG 3.73Å; Y41-H120 HydrophobicContact CE1-CB 3.83Å; Y41-H120 HydrophobicContact CE2-CB 3.88Å; Y41-H120 HydrophobicContact CG-CB 3.31Å; Y41-H120 AromaticContact CG-CG 3.75Å; Y41-E122 HydrophobicContact CD1-CB 3.92Å; Y41-E122 HydrophobicContact CD1-CG 4.39Å; Y41-E122 HydrophobicContact CE1-CB 3.96Å |
| 42 | K | 89 | Confident | 86.6 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -28.7 | -174 | 72.7 | -178.8 | -170.8 | 174.3 | 0 | 114.9 | Q39 | Q39-K42 WeakPolarHBondContact O-CB 3.35Å; Q39-K42 WeakPolarHBondContact O-CG 3.27Å; Q39-K42 PolarHBondContact O-N 3.35Å |
| 43 | D | 90.7 | Very high | 88.2 | Confident | 145 Ų | 145 | 54.3 Ų | 54.3 | 78% | 0.775 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 7.8 | -176.7 | -55.9 | -48.3 | 0 | 0 | 0 | 112.7 | Y41 | Y41-D43 PolarHBondContact O-N 3Š|
| 44 | S | 92.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | trans | -141.1 | 111.5 | -177.9 | -178 | 0 | 0 | 0 | 0 | 113.9 | Y41 W46 Q96 V121 E122 | Y41-S44 PolarHBondContact O-N 3.23Å; S44-W46 PolarHBondContact O-N 3.2Å; S44-W46 VanDerWaalsContact O-N 3.17Å; S44-Q96 VanDerWaalsContact O-CD 3.28Å; S44-Q96 PolarHBondContact O-NE2 3.19Å; S44-Q96 PolarHBondContact O-OE1 3.02Å; S44-V121 VanDerWaalsContact CB-O 3.29Å; S44-V121 WeakPolarHBondContact CB-O 3.29Å; S44-V121 PolarHBondContact OG-O 2.94Å; S44-E122 VanDerWaalsContact CB-O 3.27Å; S44-E122 WeakPolarHBondContact CB-O 3.45Å; S44-E122 PolarHBondContact OG-O 3.36Å | ||
| 45 | A | 94.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | trans | -82.2 | 19.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | C92 Y93 T99 | A45-C92 WeakPolarHBondContact O-CA 3.26Å; A45-Y93 WeakPolarHBondContact CB-O 3.48Å; A45-Y93 PolarHBondContact O-N 3.04Å; A45-T99 VanDerWaalsContact C-CG2 3.48Å; A45-T99 HydrophobicContact CB-CG2 4.18Å; A45-T99 WeakPolarHBondContact O-CG2 3.44Å | ||
| 46 | W | 95.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.4 | 179.5 | -70.5 | 88.5 | 0 | 0 | 0 | 112.3 | S44 H73 F90 L91 C92 V121 Y124 | S44-W46 PolarHBondContact O-N 3.2Å; S44-W46 VanDerWaalsContact O-N 3.17Å; W46-H73 HydrophobicContact CH2-CB 3.7Å; W46-H73 HydrophobicContact CZ2-CB 4.38Å; W46-H73 HydrophobicContact CZ3-CB 4.37Å; W46-F90 HydrophobicContact CE3-CB 4.23Å; W46-F90 HydrophobicContact CZ3-CB 4.26Å; W46-L91 CarbonylContact C-O 3.58Å; W46-L91 WeakPolarHBondContact CA-O 3.49Å; W46-C92 HydrophobicContact CD2-CB 3.71Å; W46-C92 HydrophobicContact CE3-CB 3.77Å; W46-C92 HydrophobicContact CG-CB 4.45Å; W46-C92 HydrophobicContact CH2-CB 3.7Å; W46-C92 HydrophobicContact CZ2-CB 3.62Å; W46-C92 HydrophobicContact CZ3-CB 3.76Å; W46-V121 HydrophobicContact CB-CB 3.91Å; W46-V121 HydrophobicContact CB-CG1 4.37Å; W46-V121 PolarHBondContact O-N 3.15Å; W46-Y124 AromaticContact CD2-CD1 3.48Å; W46-Y124 HydrophobicContact CD2-CD1 3.48Å; W46-Y124 VanDerWaalsContact CD2-CD1 3.48Å; W46-Y124 HydrophobicContact CD2-CD2 4.5Å; W46-Y124 HydrophobicContact CD2-CE1 4.28Å; W46-Y124 AromaticContact CD2-CG 3.58Å; W46-Y124 HydrophobicContact CD2-CG 3.58Å; W46-Y124 AromaticContact CE2-CD1 3.42Å; W46-Y124 VanDerWaalsContact CE2-CD1 3.42Å; W46-Y124 AromaticContact CE2-CG 3.96Å; W46-Y124 AromaticContact CE3-CD1 3.45Å; W46-Y124 HydrophobicContact CE3-CD1 3.45Å; W46-Y124 VanDerWaalsContact CE3-CD1 3.45Å; W46-Y124 HydrophobicContact CE3-CD2 4.14Å; W46-Y124 AromaticContact CE3-CE1 3.83Å; W46-Y124 HydrophobicContact CE3-CE1 3.83Å; W46-Y124 AromaticContact CE3-CG 3.59Å; W46-Y124 HydrophobicContact CE3-CG 3.59Å; W46-Y124 VanDerWaalsContact CG-CB 3.45Å; W46-Y124 HydrophobicContact CG-CD1 4.33Å; W46-Y124 HydrophobicContact CG-CG 4.06Å; W46-Y124 AromaticContact CH2-CD1 3.34Å; W46-Y124 HydrophobicContact CH2-CD1 3.34Å; W46-Y124 AromaticContact CH2-CE1 3.25Å; W46-Y124 HydrophobicContact CH2-CE1 3.25Å; W46-Y124 HydrophobicContact CH2-CG 4.32Å; W46-Y124 AromaticContact CZ2-CD1 3.37Å; W46-Y124 HydrophobicContact CZ2-CD1 3.37Å; W46-Y124 AromaticContact CZ2-CE1 3.76Å; W46-Y124 HydrophobicContact CZ2-CE1 3.76Å; W46-Y124 HydrophobicContact CZ2-CG 4.32Å; W46-Y124 AromaticContact CZ3-CD1 3.39Å; W46-Y124 HydrophobicContact CZ3-CD1 3.39Å; W46-Y124 HydrophobicContact CZ3-CD2 4.48Å; W46-Y124 AromaticContact CZ3-CE1 3.29Å; W46-Y124 HydrophobicContact CZ3-CE1 3.29Å; W46-Y124 HydrophobicContact CZ3-CE2 4.45Å; W46-Y124 AromaticContact CZ3-CG 3.98Å; W46-Y124 HydrophobicContact CZ3-CG 3.98Å; W46-Y124 AromaticContact CZ3-CZ 3.87Å |
| 47 | I | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148.1 | 170.7 | 61.9 | 160 | 0 | 0 | 0 | 111.1 | V49 F65 F90 L91 Y93 T99 A102 V103 V118 D119 | I47-V49 HydrophobicContact CD1-CG2 3.81Å; I47-V49 HydrophobicContact CG1-CG2 4.34Å; I47-F65 HydrophobicContact CD1-CD1 4.01Å; I47-F65 HydrophobicContact CD1-CE1 4.03Å; I47-F90 WeakPolarHBondContact O-CA 3.45Å; I47-L91 HydrophobicContact CD1-CB 4.26Å; I47-L91 HydrophobicContact CD1-CD2 4.21Å; I47-L91 HydrophobicContact CG1-CB 3.85Å; I47-L91 HydrophobicContact CG1-CD2 4.11Å; I47-L91 PolarHBondContact N-O 3.48Å; I47-L91 PolarHBondContact O-N 3.42Å; I47-Y93 HydrophobicContact CD1-CD2 4.48Å; I47-Y93 HydrophobicContact CD1-CE2 3.67Å; I47-Y93 HydrophobicContact CG1-CE2 4.14Å; I47-T99 HydrophobicContact CG2-CG2 4Å; I47-A102 HydrophobicContact CD1-CB 4.27Å; I47-V103 HydrophobicContact CG2-CG2 4.01Å; I47-V118 HydrophobicContact CB-CG1 4.44Å; I47-V118 HydrophobicContact CD1-CG1 3.97Å; I47-D119 CarbonylContact C-O 3.49Å; I47-D119 VanDerWaalsContact CA-O 3.3Å; I47-D119 WeakPolarHBondContact CA-O 2.96Å |
| 48 | F | 95 | Very high | 92 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 23% | 0.232 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.4 | 167.5 | 169.6 | -97.7 | 0 | 0 | 0 | 108.4 | F88 F90 V118 D119 V121 | F48-F88 HydrophobicContact CE2-CB 3.66Å; F48-F88 AromaticContact CE2-CD2 3.84Å; F48-F88 HydrophobicContact CE2-CD2 3.84Å; F48-F88 AromaticContact CE2-CG 3.99Å; F48-F88 HydrophobicContact CE2-CG 3.99Å; F48-F88 HydrophobicContact CZ-CB 3.87Å; F48-F88 HydrophobicContact CZ-CG 4.47Å; F48-F90 HydrophobicContact CB-CD1 4.42Å; F48-F90 HydrophobicContact CB-CE1 4.22Å; F48-F90 HydrophobicContact CD2-CD1 4.32Å; F48-F90 AromaticContact CD2-CE1 3.75Å; F48-F90 HydrophobicContact CD2-CE1 3.75Å; F48-F90 AromaticContact CD2-CZ 3.91Å; F48-F90 HydrophobicContact CD2-CZ 3.91Å; F48-F90 HydrophobicContact CE2-CZ 4.47Å; F48-F90 HydrophobicContact CG-CE1 4.47Å; F48-V118 VanDerWaalsContact O-CA 3.31Å; F48-V118 WeakPolarHBondContact O-CA 3.09Å; F48-D119 PolarHBondContact N-O 3.31Å; F48-D119 PolarHBondContact O-N 3.05Å; F48-V121 HydrophobicContact CB-CG2 3.59Å |
| 49 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.8 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | I47 L52 F65 F88 C89 R117 V118 | I47-V49 HydrophobicContact CD1-CG2 3.81Å; I47-V49 HydrophobicContact CG1-CG2 4.34Å; V49-L52 HydrophobicContact CB-CD1 4.39Å; V49-L52 HydrophobicContact CG1-CD1 3.88Å; V49-L52 HydrophobicContact CG1-CD2 3.8Å; V49-L52 HydrophobicContact CG1-CG 3.83Å; V49-F65 HydrophobicContact CB-CZ 4.17Å; V49-F65 HydrophobicContact CG1-CE2 3.81Å; V49-F65 HydrophobicContact CG1-CZ 3.5Å; V49-F65 VanDerWaalsContact CG1-CZ 3.5Å; V49-F65 HydrophobicContact CG2-CE1 3.8Å; V49-F65 HydrophobicContact CG2-CE2 4.06Å; V49-F65 HydrophobicContact CG2-CZ 3.52Å; V49-F88 CarbonylContact O-C 3.51Å; V49-F88 WeakPolarHBondContact O-CA 3.37Å; V49-F88 WeakPolarHBondContact O-CB 3.49Å; V49-C89 HydrophobicContact CB-CB 4.33Å; V49-C89 PolarHBondContact N-O 2.71Å; V49-C89 PolarHBondContact O-N 3.21Å; V49-R117 CarbonylContact C-O 3.58Å; V49-R117 WeakPolarHBondContact CA-O 3.21Å; V49-V118 HydrophobicContact CG1-CG2 4.45Å; V49-V118 HydrophobicContact CG2-CG2 4.49Å |
| 50 | G | 93.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 160 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L52 I116 R117 | G50-L52 VanDerWaalsContact C-N 3.33Å; G50-I116 CarbonylContact O-C 3.53Å; G50-I116 WeakPolarHBondContact O-CA 3.31Å; G50-I116 WeakPolarHBondContact O-CB 3.5Å; G50-R117 PolarHBondContact N-O 2.62Å; G50-R117 PolarHBondContact O-N 3.4Å |
| 51 | G | 92 | Very high | 92.7 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 83.3 | 9.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G87 R114 | G51-G87 PolarHBondContact N-O 2.83Å; G51-R114 PolarHBondContact O-NE 2.91Å |
| 52 | L | 93.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -58.8 | 151 | 175.4 | -66.8 | 170.6 | 0 | 0 | 0 | 111.3 | V49 G50 L56 V61 L76 G87 C89 I116 | V49-L52 HydrophobicContact CB-CD1 4.39Å; V49-L52 HydrophobicContact CG1-CD1 3.88Å; V49-L52 HydrophobicContact CG1-CD2 3.8Å; V49-L52 HydrophobicContact CG1-CG 3.83Å; G50-L52 VanDerWaalsContact C-N 3.33Å; L52-L56 HydrophobicContact CB-CD1 4.26Å; L52-L56 HydrophobicContact CD2-CD1 4.02Å; L52-V61 HydrophobicContact CD1-CG2 4.03Å; L52-V61 HydrophobicContact CD2-CG2 4.42Å; L52-L76 HydrophobicContact CD1-CD1 4.21Å; L52-G87 PolarHBondContact N-O 3.03Å; L52-G87 VanDerWaalsContact N-O 3.09Å; L52-C89 HydrophobicContact CD1-CB 3.71Å; L52-I116 HydrophobicContact CD2-CG2 4.16Å | ||
| 53 | S | 92.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | trans | -65.9 | 146.1 | 168.7 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | E55 L56 | S53-E55 PolarHBondContact O-N 3.44Å; S53-L56 PolarHBondContact O-N 3.38Å | ||
| 54 | Y | 91.6 | Very high | 93.2 | Very high | 121 Ų | 121 | 40 Ų | 40 | 48% | 0.475 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.5 | 178.8 | -59.2 | -61.6 | 0 | 0 | 0 | 113.2 | S85 | Y54-S85 WeakPolarHBondContact CD1-O 3.44Å; Y54-S85 WeakPolarHBondContact CE1-O 3.49Å |
| 55 | E | 91.1 | Very high | 93.3 | Very high | 169 Ų | 169 | 39.6 Ų | 39.6 | 79% | 0.79 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.7 | 179.9 | -63.8 | 172.9 | 169.1 | 0 | 0 | 113 | S53 | S53-E55 PolarHBondContact O-N 3.44Š|
| 56 | L | 91.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | trans | -74.5 | 130.5 | -179.7 | -72.8 | 159.7 | 0 | 0 | 0 | 110.9 | L52 S53 D60 V61 L111 L112 | L52-L56 HydrophobicContact CB-CD1 4.26Å; L52-L56 HydrophobicContact CD2-CD1 4.02Å; S53-L56 PolarHBondContact O-N 3.38Å; L56-D60 HydrophobicContact CD2-CB 3.58Å; L56-V61 HydrophobicContact CB-CG2 4.36Å; L56-L111 HydrophobicContact CD1-CD2 3.27Å; L56-L111 HydrophobicContact CD2-CD2 4.11Å; L56-L111 HydrophobicContact CG-CD2 4.27Å; L56-L112 HydrophobicContact CD1-CD1 4.23Å; L56-L112 HydrophobicContact CD2-CD1 3.74Å; L56-L112 HydrophobicContact CG-CD1 3.84Å | ||
| 57 | S | 92.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | trans | -83.5 | 167 | 168.8 | 72 | 0 | 0 | 0 | 0 | 111.6 | G59 D60 V61 | S57-G59 PolarHBondContact O-N 3.11Å; S57-G59 PolarHBondContact OG-N 3.01Å; S57-D60 WeakPolarHBondContact CB-OD2 3.42Å; S57-D60 PolarHBondContact N-OD2 2.73Å; S57-D60 PolarHBondContact O-N 3.48Å; S57-D60 PolarHBondContact OG-N 3.19Å; S57-D60 PolarHBondContact OG-OD2 3.14Å; S57-V61 WeakPolarHBondContact O-CG2 3.16Å; S57-V61 PolarHBondContact O-N 2.81Å | ||
| 58 | E | 91.3 | Very high | 93 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -40.3 | 171.5 | -66.1 | 77.1 | -172.3 | 0 | 0 | 111.1 | D60 V61 I62 I74 L76 R78 | E58-D60 PolarHBondContact O-N 3.42Å; E58-V61 PolarHBondContact O-N 3.28Å; E58-I62 WeakPolarHBondContact O-CD1 3.46Å; E58-I62 WeakPolarHBondContact O-CG1 3.32Å; E58-I62 PolarHBondContact O-N 2.9Å; E58-I74 HydrophobicContact CB-CD1 4.38Å; E58-I74 HydrophobicContact CB-CG2 4.21Å; E58-I74 HydrophobicContact CG-CG2 4.31Å; E58-L76 HydrophobicContact CG-CB 3.7Å; E58-L76 HydrophobicContact CG-CD2 4.1Å; E58-L76 WeakPolarHBondContact OE1-CB 3.1Å; E58-L76 WeakPolarHBondContact OE1-CD2 3.22Å; E58-R78 IonicContact OE1-CZ 2.99Å; E58-R78 IonicContact OE1-NE 2.74Å; E58-R78 PolarHBondContact OE1-NE 2.91Å; E58-R78 IonicContact OE1-NH2 3.59Å; E58-R78 PolarHBondContact OE1-NH2 3.33Å; E58-R78 IonicContact OE2-CZ 3.12Å; E58-R78 IonicContact OE2-NH2 3.59Å; E58-R78 PolarHBondContact OE2-NH2 3.31Å |
| 59 | G | 92.4 | Very high | 92.9 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S57 V61 I62 C63 | S57-G59 PolarHBondContact O-N 3.11Å; S57-G59 PolarHBondContact OG-N 3.01Å; G59-V61 PolarHBondContact O-N 3.37Å; G59-I62 PolarHBondContact O-N 2.76Å; G59-C63 PolarHBondContact O-N 2.89Å; G59-C63 PolarHBondContact O-SG 3.5Å; G59-C63 VanDerWaalsContact O-SG 3.36Å |
| 60 | D | 93.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 178.8 | -55.4 | -50.4 | 0 | 0 | 0 | 111.4 | L56 S57 E58 C63 V64 | L56-D60 HydrophobicContact CD2-CB 3.58Å; S57-D60 WeakPolarHBondContact CB-OD2 3.42Å; S57-D60 PolarHBondContact N-OD2 2.73Å; S57-D60 PolarHBondContact O-N 3.48Å; S57-D60 PolarHBondContact OG-N 3.19Å; S57-D60 PolarHBondContact OG-OD2 3.14Å; E58-D60 PolarHBondContact O-N 3.42Å; D60-C63 PolarHBondContact O-N 2.76Å; D60-V64 WeakPolarHBondContact O-CG2 3.41Å; D60-V64 PolarHBondContact O-N 3.01Å; D60-V64 VanDerWaalsContact O-N 3.12Å |
| 61 | V | 93.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | L52 L56 S57 E58 G59 C63 V64 F65 I74 | L52-V61 HydrophobicContact CD1-CG2 4.03Å; L52-V61 HydrophobicContact CD2-CG2 4.42Å; L56-V61 HydrophobicContact CB-CG2 4.36Å; S57-V61 WeakPolarHBondContact O-CG2 3.16Å; S57-V61 PolarHBondContact O-N 2.81Å; E58-V61 PolarHBondContact O-N 3.28Å; G59-V61 PolarHBondContact O-N 3.37Å; V61-C63 PolarHBondContact O-N 3.12Å; V61-V64 PolarHBondContact O-N 3.46Å; V61-F65 HydrophobicContact CG1-CD2 3.66Å; V61-F65 HydrophobicContact CG1-CE2 3.99Å; V61-F65 VanDerWaalsContact O-CD2 3.32Å; V61-F65 WeakPolarHBondContact O-CD2 3.21Å; V61-F65 PolarHBondContact O-N 3.32Å; V61-I74 HydrophobicContact CB-CD1 3.91Å; V61-I74 HydrophobicContact CG1-CD1 3.79Å |
| 62 | I | 94.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 175.7 | -67.6 | 161.6 | 0 | 0 | 0 | 110.2 | E58 G59 V64 F65 S66 I71 I74 I145 | E58-I62 WeakPolarHBondContact O-CD1 3.46Å; E58-I62 WeakPolarHBondContact O-CG1 3.32Å; E58-I62 PolarHBondContact O-N 2.9Å; G59-I62 PolarHBondContact O-N 2.76Å; I62-V64 VanDerWaalsContact C-N 3.3Å; I62-V64 PolarHBondContact O-N 3.03Å; I62-F65 PolarHBondContact O-N 3.41Å; I62-S66 VanDerWaalsContact O-CB 3.27Å; I62-S66 WeakPolarHBondContact O-CB 3.38Å; I62-S66 PolarHBondContact O-N 2.99Å; I62-S66 PolarHBondContact O-OG 3.48Å; I62-I71 HydrophobicContact CB-CD1 4.18Å; I62-I71 HydrophobicContact CG1-CD1 4.39Å; I62-I71 HydrophobicContact CG2-CD1 3.92Å; I62-I71 WeakPolarHBondContact O-CD1 3.48Å; I62-I74 HydrophobicContact CD1-CD1 4.44Å; I62-I74 HydrophobicContact CD1-CG2 4.24Å; I62-I74 HydrophobicContact CG1-CD1 3.77Å; I62-I145 HydrophobicContact CD1-CD1 3.42Å; I62-I145 VanDerWaalsContact CD1-CD1 3.42Å; I62-I145 HydrophobicContact CD1-CG1 4.05Å; I62-I145 HydrophobicContact CD1-CG2 4.35Å; I62-I145 HydrophobicContact CG1-CD1 3.81Å |
| 63 | C | 94 | Very high | 92.7 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 68% | 0.676 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.9 | -43.8 | -179.7 | -76.1 | 0 | 0 | 0 | 0 | 112.5 | G59 D60 V61 | G59-C63 PolarHBondContact O-N 2.89Å; G59-C63 PolarHBondContact O-SG 3.5Å; G59-C63 VanDerWaalsContact O-SG 3.36Å; D60-C63 PolarHBondContact O-N 2.76Å; V61-C63 PolarHBondContact O-N 3.12Å |
| 64 | V | 93.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 30% | 0.297 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -48.6 | 180 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | D60 V61 I62 S66 F106 L111 | D60-V64 WeakPolarHBondContact O-CG2 3.41Å; D60-V64 PolarHBondContact O-N 3.01Å; D60-V64 VanDerWaalsContact O-N 3.12Å; V61-V64 PolarHBondContact O-N 3.46Å; I62-V64 VanDerWaalsContact C-N 3.3Å; I62-V64 PolarHBondContact O-N 3.03Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 2.95Å; V64-F106 HydrophobicContact CG1-CE1 4Å; V64-F106 HydrophobicContact CG1-CZ 3.98Å; V64-F106 VanDerWaalsContact O-CZ 3.32Å; V64-F106 WeakPolarHBondContact O-CZ 3.38Å; V64-L111 HydrophobicContact CB-CD1 4.44Å; V64-L111 HydrophobicContact CG1-CD1 3.79Å; V64-L111 HydrophobicContact CG2-CD1 4.09Å |
| 65 | F | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.4 | -18.9 | -173.4 | -79.5 | -87.7 | 0 | 0 | 0 | 113.7 | I47 V49 V61 I62 Q67 Y68 I71 L91 Y93 F106 I116 V118 | I47-F65 HydrophobicContact CD1-CD1 4.01Å; I47-F65 HydrophobicContact CD1-CE1 4.03Å; V49-F65 HydrophobicContact CB-CZ 4.17Å; V49-F65 HydrophobicContact CG1-CE2 3.81Å; V49-F65 HydrophobicContact CG1-CZ 3.5Å; V49-F65 VanDerWaalsContact CG1-CZ 3.5Å; V49-F65 HydrophobicContact CG2-CE1 3.8Å; V49-F65 HydrophobicContact CG2-CE2 4.06Å; V49-F65 HydrophobicContact CG2-CZ 3.52Å; V61-F65 HydrophobicContact CG1-CD2 3.66Å; V61-F65 HydrophobicContact CG1-CE2 3.99Å; V61-F65 VanDerWaalsContact O-CD2 3.32Å; V61-F65 WeakPolarHBondContact O-CD2 3.21Å; V61-F65 PolarHBondContact O-N 3.32Å; I62-F65 PolarHBondContact O-N 3.41Å; F65-Q67 PolarHBondContact O-N 2.82Å; F65-Y68 PolarHBondContact O-N 3.03Å; F65-I71 HydrophobicContact CB-CD1 3.98Å; F65-L91 HydrophobicContact CB-CD1 3.73Å; F65-L91 HydrophobicContact CG-CD1 4.09Å; F65-Y93 PolarHBondContact O-OH 3.36Å; F65-F106 AromaticContact CD1-CD2 3.51Å; F65-F106 HydrophobicContact CD1-CD2 3.51Å; F65-F106 AromaticContact CD1-CE2 3.52Å; F65-F106 HydrophobicContact CD1-CE2 3.52Å; F65-F106 HydrophobicContact CD1-CG 4.44Å; F65-F106 HydrophobicContact CD1-CZ 4.44Å; F65-F106 HydrophobicContact CE1-CB 4.11Å; F65-F106 AromaticContact CE1-CD2 3.41Å; F65-F106 HydrophobicContact CE1-CD2 3.41Å; F65-F106 VanDerWaalsContact CE1-CD2 3.41Å; F65-F106 AromaticContact CE1-CE2 3.88Å; F65-F106 HydrophobicContact CE1-CE2 3.88Å; F65-F106 AromaticContact CE1-CG 3.95Å; F65-F106 HydrophobicContact CE1-CG 3.95Å; F65-F106 HydrophobicContact CG-CD2 4.47Å; F65-F106 HydrophobicContact CG-CE2 4.11Å; F65-F106 HydrophobicContact CZ-CD2 4.29Å; F65-F106 HydrophobicContact CZ-CG 4.48Å; F65-I116 HydrophobicContact CZ-CD1 4.11Å; F65-V118 HydrophobicContact CE1-CG1 4.42Å; F65-V118 HydrophobicContact CE1-CG2 4.01Å; F65-V118 HydrophobicContact CZ-CG2 4.03Å |
| 66 | S | 93.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 38% | 0.378 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -61.8 | -14.5 | 178.4 | -65.2 | 0 | 0 | 0 | 0 | 114.1 | I62 V64 Y68 G69 I71 | I62-S66 VanDerWaalsContact O-CB 3.27Å; I62-S66 WeakPolarHBondContact O-CB 3.38Å; I62-S66 PolarHBondContact O-N 2.99Å; I62-S66 PolarHBondContact O-OG 3.48Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 2.95Å; S66-Y68 PolarHBondContact O-N 3.45Å; S66-G69 WeakPolarHBondContact CA-O 3.33Å; S66-G69 PolarHBondContact O-N 3.3Å; S66-I71 WeakPolarHBondContact OG-CD1 3.48Å |
| 67 | Q | 92.8 | Very high | 92.6 | Very high | 117 Ų | 117 | 40.9 Ų | 40.9 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -64.6 | -22.7 | -178.7 | 73.7 | 174.3 | 1.2 | 0 | 0 | 114.5 | F65 F106 | F65-Q67 PolarHBondContact O-N 2.82Å; Q67-F106 VanDerWaalsContact CD-CZ 3.46Å; Q67-F106 HydrophobicContact CG-CE2 4.13Å; Q67-F106 HydrophobicContact CG-CZ 3.65Å |
| 68 | Y | 91.3 | Very high | 92.5 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -107.6 | -4.8 | -178.5 | -63.9 | -50.9 | 0 | 0 | 0 | 114 | F65 S66 S98 L101 A102 N105 F106 | F65-Y68 PolarHBondContact O-N 3.03Å; S66-Y68 PolarHBondContact O-N 3.45Å; Y68-S98 WeakPolarHBondContact O-CB 3.37Å; Y68-S98 PolarHBondContact O-OG 2.62Å; Y68-L101 HydrophobicContact CD1-CB 4.05Å; Y68-L101 HydrophobicContact CD1-CD1 4.24Å; Y68-L101 HydrophobicContact CG-CB 3.98Å; Y68-A102 HydrophobicContact CD2-CB 4.22Å; Y68-N105 HydrophobicContact CE1-CB 4.47Å; Y68-N105 HydrophobicContact CE2-CB 3.71Å; Y68-N105 WeakPolarHBondContact OH-CB 3.48Å; Y68-F106 AromaticContact CD2-CD2 3.66Å; Y68-F106 HydrophobicContact CD2-CD2 3.66Å; Y68-F106 AromaticContact CD2-CE2 3.26Å; Y68-F106 HydrophobicContact CD2-CE2 3.26Å; Y68-F106 AromaticContact CD2-CZ 3.96Å; Y68-F106 HydrophobicContact CD2-CZ 3.96Å; Y68-F106 HydrophobicContact CE2-CD1 4.29Å; Y68-F106 AromaticContact CE2-CD2 3.54Å; Y68-F106 HydrophobicContact CE2-CD2 3.54Å; Y68-F106 HydrophobicContact CE2-CE1 4.12Å; Y68-F106 AromaticContact CE2-CE2 3.3Å; Y68-F106 HydrophobicContact CE2-CE2 3.3Å; Y68-F106 HydrophobicContact CE2-CG 4.07Å; Y68-F106 AromaticContact CE2-CZ 3.66Å; Y68-F106 HydrophobicContact CE2-CZ 3.66Å |
| 69 | G | 92.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 45 Ų | 45 | 19% | 0.186 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 168.5 | 167 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S66 S98 | S66-G69 WeakPolarHBondContact CA-O 3.33Å; S66-G69 PolarHBondContact O-N 3.3Å; G69-S98 WeakPolarHBondContact CA-OG 3.28Å |
| 70 | E | 93.2 | Very high | 92 | Very high | 93 Ų | 93 | 51.6 Ų | 51.6 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | trans | -75.6 | 136.1 | 174 | -171.4 | 165.3 | 167.5 | 0 | 0 | 110.6 | Y93 E94 | E70-Y93 CarbonylContact O-C 3.39Å; E70-Y93 WeakPolarHBondContact O-CA 3.44Å; E70-Y93 WeakPolarHBondContact O-CD1 2.99Å; E70-E94 HydrophobicContact CB-CB 4.4Å; E70-E94 PolarHBondContact O-N 3.16Å | ||
| 71 | I | 93.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119 | -176.2 | -60.3 | 162.6 | 0 | 0 | 0 | 108.6 | I62 F65 S66 L91 Y93 I145 | I62-I71 HydrophobicContact CB-CD1 4.18Å; I62-I71 HydrophobicContact CG1-CD1 4.39Å; I62-I71 HydrophobicContact CG2-CD1 3.92Å; I62-I71 WeakPolarHBondContact O-CD1 3.48Å; F65-I71 HydrophobicContact CB-CD1 3.98Å; S66-I71 WeakPolarHBondContact OG-CD1 3.48Å; I71-L91 HydrophobicContact CB-CD2 4.47Å; I71-L91 HydrophobicContact CD1-CD1 3.73Å; I71-L91 HydrophobicContact CG1-CD1 4Å; I71-L91 HydrophobicContact CG1-CD2 3.96Å; I71-L91 HydrophobicContact CG1-CG 4.27Å; I71-L91 HydrophobicContact CG2-CD1 3.99Å; I71-L91 HydrophobicContact CG2-CD2 3.93Å; I71-L91 HydrophobicContact CG2-CG 3.68Å; I71-Y93 HydrophobicContact CG1-CD1 4.24Å; I71-Y93 HydrophobicContact CG1-CE1 4.02Å; I71-I145 HydrophobicContact CG2-CD1 3.77Å |
| 72 | V | 91.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -44.7 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | C92 E94 G144 I145 A146 | V72-C92 PolarHBondContact N-O 3.17Å; V72-E94 VanDerWaalsContact CG2-CA 3.49Å; V72-E94 HydrophobicContact CG2-CB 3.78Å; V72-E94 HydrophobicContact CG2-CG 4.34Å; V72-G144 CarbonylContact O-C 3.56Å; V72-G144 WeakPolarHBondContact O-CA 3.35Å; V72-I145 PolarHBondContact O-N 3.35Å; V72-A146 HydrophobicContact CB-CB 4.46Å; V72-A146 HydrophobicContact CG1-CB 4.22Å; V72-A146 HydrophobicContact CG2-CB 4.42Å |
| 73 | H | 91.1 | Very high | 91 | Very high | 33 Ų | 33 | 59 Ų | 59 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146.5 | 178.6 | -78.4 | -90.2 | 0 | 0 | 0 | 111.1 | W46 L91 C92 M140 L141 G144 | W46-H73 HydrophobicContact CH2-CB 3.7Å; W46-H73 HydrophobicContact CZ2-CB 4.38Å; W46-H73 HydrophobicContact CZ3-CB 4.37Å; H73-L91 WeakPolarHBondContact O-CA 3.37Å; H73-C92 HydrophobicContact CB-CB 3.93Å; H73-C92 PolarHBondContact N-O 3.03Å; H73-C92 PolarHBondContact O-N 3.38Å; H73-M140 PolarHBondContact ND1-O 2.92Å; H73-L141 PolarHBondContact CE1-O 2.94Å; H73-G144 WeakPolarHBondContact CE1-CA 3.12Å; H73-G144 PolarHBondContact CE1-N 3.12Å; H73-G144 WeakPolarHBondContact ND1-CA 3.44Å; H73-G144 PolarHBondContact ND1-N 3.3Å |
| 74 | I | 92.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.4 | 167.2 | -160.8 | 168.1 | 0 | 0 | 0 | 109.3 | E58 V61 I62 C89 F90 M140 I145 | E58-I74 HydrophobicContact CB-CD1 4.38Å; E58-I74 HydrophobicContact CB-CG2 4.21Å; E58-I74 HydrophobicContact CG-CG2 4.31Å; V61-I74 HydrophobicContact CB-CD1 3.91Å; V61-I74 HydrophobicContact CG1-CD1 3.79Å; I62-I74 HydrophobicContact CD1-CD1 4.44Å; I62-I74 HydrophobicContact CD1-CG2 4.24Å; I62-I74 HydrophobicContact CG1-CD1 3.77Å; I74-C89 WeakPolarHBondContact CG1-SG 3.32Å; I74-F90 CarbonylContact C-O 3.55Å; I74-M140 HydrophobicContact CG2-SD 4.01Å; I74-I145 HydrophobicContact CB-CD1 3.6Å; I74-I145 HydrophobicContact CG2-CD1 3.46Å; I74-I145 VanDerWaalsContact CG2-CD1 3.46Å; I74-I145 HydrophobicContact CG2-CG1 4.2Å |
| 75 | N | 91.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 94.2 | 170.7 | 173.2 | 54.2 | 0 | 0 | 0 | 109 | C89 F90 Y124 L141 | N75-C89 WeakPolarHBondContact O-CA 3.23Å; N75-F90 HydrophobicContact CB-CB 4.48Å; N75-F90 PolarHBondContact N-O 2.81Å; N75-F90 PolarHBondContact O-N 2.89Å; N75-Y124 VanDerWaalsContact CB-OH 3.28Å; N75-Y124 WeakPolarHBondContact CB-OH 3.32Å; N75-Y124 VanDerWaalsContact CG-OH 3.3Å; N75-Y124 PolarHBondContact ND2-OH 2.98Å; N75-L141 HydrophobicContact CB-CD2 4.07Å |
| 76 | L | 91.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115.5 | 172.5 | -177.1 | 66.1 | 0 | 0 | 0 | 108.8 | L52 E58 R78 C89 | L52-L76 HydrophobicContact CD1-CD1 4.21Å; E58-L76 HydrophobicContact CG-CB 3.7Å; E58-L76 HydrophobicContact CG-CD2 4.1Å; E58-L76 WeakPolarHBondContact OE1-CB 3.1Å; E58-L76 WeakPolarHBondContact OE1-CD2 3.22Å; L76-R78 PolarHBondContact O-N 2.72Å; L76-C89 HydrophobicContact CD1-CB 3.8Å |
| 77 | V | 90.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.2 | -174 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | R86 F88 F90 | V77-R86 HydrophobicContact CG1-CG 4.45Å; V77-R86 WeakPolarHBondContact O-CB 3.47Å; V77-R86 PolarHBondContact O-N 3.35Å; V77-F88 HydrophobicContact CB-CD2 4.02Å; V77-F88 HydrophobicContact CB-CE1 4.44Å; V77-F88 HydrophobicContact CB-CE2 3.52Å; V77-F88 HydrophobicContact CB-CZ 3.75Å; V77-F88 HydrophobicContact CG1-CE1 4.49Å; V77-F88 HydrophobicContact CG1-CE2 3.89Å; V77-F88 HydrophobicContact CG1-CZ 3.69Å; V77-F88 HydrophobicContact CG2-CD2 3.89Å; V77-F88 HydrophobicContact CG2-CE2 3.41Å; V77-F88 VanDerWaalsContact CG2-CE2 3.41Å; V77-F88 HydrophobicContact CG2-CZ 4.11Å; V77-F88 PolarHBondContact N-O 3.4Å; V77-F88 VanDerWaalsContact N-O 3.1Å; V77-F90 HydrophobicContact CG2-CD2 4.15Å; V77-F90 HydrophobicContact CG2-CE2 4.21Å |
| 78 | R | 89.9 | Confident | 90.3 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.1 | 176 | -60.2 | 174.6 | -177.9 | -153.4 | -2.4 | 110.6 | E58 L76 K84 | E58-R78 IonicContact OE1-CZ 2.99Å; E58-R78 IonicContact OE1-NE 2.74Å; E58-R78 PolarHBondContact OE1-NE 2.91Å; E58-R78 IonicContact OE1-NH2 3.59Å; E58-R78 PolarHBondContact OE1-NH2 3.33Å; E58-R78 IonicContact OE2-CZ 3.12Å; E58-R78 IonicContact OE2-NH2 3.59Å; E58-R78 PolarHBondContact OE2-NH2 3.31Å; L76-R78 PolarHBondContact O-N 2.72Å; R78-K84 CarbonylContact C-O 3.58Å; R78-K84 WeakPolarHBondContact CA-O 3.42Å |
| 79 | D | 88.4 | Confident | 90.4 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 34% | 0.342 | 29% | 0.288 | S | S | . | . | trans | -76.9 | 131 | 173.8 | 178.8 | 31 | 0 | 0 | 0 | 110 | N81 T82 G83 K84 R86 | D79-N81 VanDerWaalsContact C-N 3.28Å; D79-N81 PolarHBondContact O-N 2.83Å; D79-T82 WeakPolarHBondContact CB-OG1 3.43Å; D79-T82 PolarHBondContact OD2-OG1 3.16Å; D79-G83 VanDerWaalsContact O-CA 3.29Å; D79-G83 WeakPolarHBondContact O-CA 3.5Å; D79-G83 PolarHBondContact O-N 3.36Å; D79-K84 PolarHBondContact N-O 3.18Å; D79-R86 HydrophobicContact CB-CG 4.31Å | ||
| 80 | R | 83.9 | Confident | 90.5 | Very high | 175 Ų | 175 | 59.2 Ų | 59.2 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.2 | -171.5 | -177.8 | 172.4 | 178.2 | -105.7 | 3 | 112.9 | D132 | R80-D132 IonicContact CZ-OD2 3.59Å; R80-D132 IonicContact NE-OD2 3.85Å; R80-D132 IonicContact NH2-OD2 3.78Å; R80-D132 PolarHBondContact NH2-OD2 3.15Å |
| 81 | N | 86.6 | Confident | 90.6 | Very high | 137 Ų | 137 | 54.8 Ų | 54.8 | 73% | 0.733 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.5 | -174.2 | -61.2 | -18.9 | 0 | 0 | 0 | 112.1 | D79 | D79-N81 VanDerWaalsContact C-N 3.28Å; D79-N81 PolarHBondContact O-N 2.83Å |
| 82 | T | 88.6 | Confident | 90.6 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -13.8 | -173 | 62 | 0 | 0 | 0 | 0 | 113.5 | D79 K84 | D79-T82 WeakPolarHBondContact CB-OG1 3.43Å; D79-T82 PolarHBondContact OD2-OG1 3.16Å; T82-K84 PolarHBondContact O-N 2.89Å; T82-K84 VanDerWaalsContact O-N 3.08Å; T82-K84 PolarHBondContact OG1-N 2.9Å |
| 83 | G | 84.8 | Confident | 90.8 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | trans | 67.5 | -2.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D79 | D79-G83 VanDerWaalsContact O-CA 3.29Å; D79-G83 WeakPolarHBondContact O-CA 3.5Å; D79-G83 PolarHBondContact O-N 3.36Å | ||
| 84 | K | 88.1 | Confident | 90.8 | Very high | 152 Ų | 152 | 57.4 Ų | 57.4 | 66% | 0.661 | 28% | 0.278 | S | S | * | . | trans | -75.5 | 139.9 | -176.6 | -66 | -175.6 | 178.2 | -175.2 | 0 | 110.7 | R78 D79 T82 R86 | R78-K84 CarbonylContact C-O 3.58Å; R78-K84 WeakPolarHBondContact CA-O 3.42Å; D79-K84 PolarHBondContact N-O 3.18Å; T82-K84 PolarHBondContact O-N 2.89Å; T82-K84 VanDerWaalsContact O-N 3.08Å; T82-K84 PolarHBondContact OG1-N 2.9Å; K84-R86 PolarHBondContact O-N 2.96Å | ||
| 85 | S | 90.9 | Very high | 90.8 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 138.4 | 173.7 | -59.8 | 0 | 0 | 0 | 0 | 111 | Y54 G87 | Y54-S85 WeakPolarHBondContact CD1-O 3.44Å; Y54-S85 WeakPolarHBondContact CE1-O 3.49Å; S85-G87 PolarHBondContact O-N 3.45Å |
| 86 | R | 91 | Very high | 90.8 | Very high | 147 Ų | 147 | 61.4 Ų | 61.4 | 56% | 0.555 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 1.7 | 174.2 | -64.7 | -174.8 | 66.1 | -168.2 | -4.1 | 113 | V77 D79 K84 F88 | V77-R86 HydrophobicContact CG1-CG 4.45Å; V77-R86 WeakPolarHBondContact O-CB 3.47Å; V77-R86 PolarHBondContact O-N 3.35Å; D79-R86 HydrophobicContact CB-CG 4.31Å; K84-R86 PolarHBondContact O-N 2.96Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 HydrophobicContact CB-CD1 3.68Å; R86-F88 HydrophobicContact CB-CE1 3.36Å; R86-F88 HydrophobicContact CB-CZ 4.22Å; R86-F88 HydrophobicContact CG-CE1 4.23Å |
| 87 | G | 91.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 66.2 Ų | 66.2 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 19.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | G51 L52 S85 | G51-G87 PolarHBondContact N-O 2.83Å; L52-G87 PolarHBondContact N-O 3.03Å; L52-G87 VanDerWaalsContact N-O 3.09Å; S85-G87 PolarHBondContact O-N 3.45Å |
| 88 | F | 92.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152 | 171.9 | 68.2 | -89.9 | 0 | 0 | 0 | 112.6 | F48 V49 V77 R86 F90 | F48-F88 HydrophobicContact CE2-CB 3.66Å; F48-F88 AromaticContact CE2-CD2 3.84Å; F48-F88 HydrophobicContact CE2-CD2 3.84Å; F48-F88 AromaticContact CE2-CG 3.99Å; F48-F88 HydrophobicContact CE2-CG 3.99Å; F48-F88 HydrophobicContact CZ-CB 3.87Å; F48-F88 HydrophobicContact CZ-CG 4.47Å; V49-F88 CarbonylContact O-C 3.51Å; V49-F88 WeakPolarHBondContact O-CA 3.37Å; V49-F88 WeakPolarHBondContact O-CB 3.49Å; V77-F88 HydrophobicContact CB-CD2 4.02Å; V77-F88 HydrophobicContact CB-CE1 4.44Å; V77-F88 HydrophobicContact CB-CE2 3.52Å; V77-F88 HydrophobicContact CB-CZ 3.75Å; V77-F88 HydrophobicContact CG1-CE1 4.49Å; V77-F88 HydrophobicContact CG1-CE2 3.89Å; V77-F88 HydrophobicContact CG1-CZ 3.69Å; V77-F88 HydrophobicContact CG2-CD2 3.89Å; V77-F88 HydrophobicContact CG2-CE2 3.41Å; V77-F88 VanDerWaalsContact CG2-CE2 3.41Å; V77-F88 HydrophobicContact CG2-CZ 4.11Å; V77-F88 PolarHBondContact N-O 3.4Å; V77-F88 VanDerWaalsContact N-O 3.1Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 HydrophobicContact CB-CD1 3.68Å; R86-F88 HydrophobicContact CB-CE1 3.36Å; R86-F88 HydrophobicContact CB-CZ 4.22Å; R86-F88 HydrophobicContact CG-CE1 4.23Å; F88-F90 HydrophobicContact CD2-CE2 4.09Å; F88-F90 AromaticContact CE2-CE2 3.99Å; F88-F90 HydrophobicContact CE2-CE2 3.99Å |
| 89 | C | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 149.5 | -171.6 | 168.2 | 0 | 0 | 0 | 0 | 109.6 | V49 L52 I74 N75 L76 | V49-C89 HydrophobicContact CB-CB 4.33Å; V49-C89 PolarHBondContact N-O 2.71Å; V49-C89 PolarHBondContact O-N 3.21Å; L52-C89 HydrophobicContact CD1-CB 3.71Å; I74-C89 WeakPolarHBondContact CG1-SG 3.32Å; N75-C89 WeakPolarHBondContact O-CA 3.23Å; L76-C89 HydrophobicContact CD1-CB 3.8Å |
| 90 | F | 94.7 | Very high | 91.3 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.3 | 165.1 | -65 | -85.5 | 0 | 0 | 0 | 109.1 | W46 I47 F48 I74 N75 V77 F88 V121 Y124 | W46-F90 HydrophobicContact CE3-CB 4.23Å; W46-F90 HydrophobicContact CZ3-CB 4.26Å; I47-F90 WeakPolarHBondContact O-CA 3.45Å; F48-F90 HydrophobicContact CB-CD1 4.42Å; F48-F90 HydrophobicContact CB-CE1 4.22Å; F48-F90 HydrophobicContact CD2-CD1 4.32Å; F48-F90 AromaticContact CD2-CE1 3.75Å; F48-F90 HydrophobicContact CD2-CE1 3.75Å; F48-F90 AromaticContact CD2-CZ 3.91Å; F48-F90 HydrophobicContact CD2-CZ 3.91Å; F48-F90 HydrophobicContact CE2-CZ 4.47Å; F48-F90 HydrophobicContact CG-CE1 4.47Å; I74-F90 CarbonylContact C-O 3.55Å; N75-F90 HydrophobicContact CB-CB 4.48Å; N75-F90 PolarHBondContact N-O 2.81Å; N75-F90 PolarHBondContact O-N 2.89Å; V77-F90 HydrophobicContact CG2-CD2 4.15Å; V77-F90 HydrophobicContact CG2-CE2 4.21Å; F88-F90 HydrophobicContact CD2-CE2 4.09Å; F88-F90 AromaticContact CE2-CE2 3.99Å; F88-F90 HydrophobicContact CE2-CE2 3.99Å; F90-V121 HydrophobicContact CD1-CG2 4.06Å; F90-V121 HydrophobicContact CE1-CG2 4.04Å; F90-Y124 HydrophobicContact CB-CD2 3.95Å; F90-Y124 HydrophobicContact CB-CE2 3.42Å; F90-Y124 VanDerWaalsContact CB-CE2 3.42Å; F90-Y124 AromaticContact CD1-CD2 3.63Å; F90-Y124 HydrophobicContact CD1-CD2 3.63Å; F90-Y124 AromaticContact CD1-CE2 3.67Å; F90-Y124 HydrophobicContact CD1-CE2 3.67Å; F90-Y124 HydrophobicContact CD2-CD2 4.39Å; F90-Y124 AromaticContact CD2-CE2 3.6Å; F90-Y124 HydrophobicContact CD2-CE2 3.6Å; F90-Y124 HydrophobicContact CE1-CD2 4.17Å; F90-Y124 HydrophobicContact CE1-CE2 4.28Å; F90-Y124 HydrophobicContact CE2-CE2 4.21Å; F90-Y124 AromaticContact CG-CD2 3.74Å; F90-Y124 HydrophobicContact CG-CD2 3.74Å; F90-Y124 AromaticContact CG-CE2 3.27Å; F90-Y124 HydrophobicContact CG-CE2 3.27Å |
| 91 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.8 | -177.3 | -175.5 | 156.7 | 0 | 0 | 0 | 109.1 | W46 I47 F65 I71 H73 Y93 | W46-L91 CarbonylContact C-O 3.58Å; W46-L91 WeakPolarHBondContact CA-O 3.49Å; I47-L91 HydrophobicContact CD1-CB 4.26Å; I47-L91 HydrophobicContact CD1-CD2 4.21Å; I47-L91 HydrophobicContact CG1-CB 3.85Å; I47-L91 HydrophobicContact CG1-CD2 4.11Å; I47-L91 PolarHBondContact N-O 3.48Å; I47-L91 PolarHBondContact O-N 3.42Å; F65-L91 HydrophobicContact CB-CD1 3.73Å; F65-L91 HydrophobicContact CG-CD1 4.09Å; I71-L91 HydrophobicContact CB-CD2 4.47Å; I71-L91 HydrophobicContact CD1-CD1 3.73Å; I71-L91 HydrophobicContact CG1-CD1 4Å; I71-L91 HydrophobicContact CG1-CD2 3.96Å; I71-L91 HydrophobicContact CG1-CG 4.27Å; I71-L91 HydrophobicContact CG2-CD1 3.99Å; I71-L91 HydrophobicContact CG2-CD2 3.93Å; I71-L91 HydrophobicContact CG2-CG 3.68Å; H73-L91 WeakPolarHBondContact O-CA 3.37Å; L91-Y93 HydrophobicContact CD2-CD1 4.25Å; L91-Y93 HydrophobicContact CD2-CD2 3.46Å; L91-Y93 VanDerWaalsContact CD2-CD2 3.46Å; L91-Y93 HydrophobicContact CD2-CE1 4.18Å; L91-Y93 HydrophobicContact CD2-CE2 3.43Å; L91-Y93 VanDerWaalsContact CD2-CE2 3.43Å; L91-Y93 HydrophobicContact CD2-CG 3.93Å |
| 92 | C | 94.1 | Very high | 92 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.7 | 174.4 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | A45 W46 V72 H73 | A45-C92 WeakPolarHBondContact O-CA 3.26Å; W46-C92 HydrophobicContact CD2-CB 3.71Å; W46-C92 HydrophobicContact CE3-CB 3.77Å; W46-C92 HydrophobicContact CG-CB 4.45Å; W46-C92 HydrophobicContact CH2-CB 3.7Å; W46-C92 HydrophobicContact CZ2-CB 3.62Å; W46-C92 HydrophobicContact CZ3-CB 3.76Å; V72-C92 PolarHBondContact N-O 3.17Å; H73-C92 HydrophobicContact CB-CB 3.93Å; H73-C92 PolarHBondContact N-O 3.03Å; H73-C92 PolarHBondContact O-N 3.38Å |
| 93 | Y | 95.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 161.8 | 170.2 | -75.8 | -82.9 | 0 | 0 | 0 | 111.2 | A45 I47 F65 E70 I71 L91 D95 T99 A102 | A45-Y93 WeakPolarHBondContact CB-O 3.48Å; A45-Y93 PolarHBondContact O-N 3.04Å; I47-Y93 HydrophobicContact CD1-CD2 4.48Å; I47-Y93 HydrophobicContact CD1-CE2 3.67Å; I47-Y93 HydrophobicContact CG1-CE2 4.14Å; F65-Y93 PolarHBondContact O-OH 3.36Å; E70-Y93 CarbonylContact O-C 3.39Å; E70-Y93 WeakPolarHBondContact O-CA 3.44Å; E70-Y93 WeakPolarHBondContact O-CD1 2.99Å; I71-Y93 HydrophobicContact CG1-CD1 4.24Å; I71-Y93 HydrophobicContact CG1-CE1 4.02Å; L91-Y93 HydrophobicContact CD2-CD1 4.25Å; L91-Y93 HydrophobicContact CD2-CD2 3.46Å; L91-Y93 VanDerWaalsContact CD2-CD2 3.46Å; L91-Y93 HydrophobicContact CD2-CE1 4.18Å; L91-Y93 HydrophobicContact CD2-CE2 3.43Å; L91-Y93 VanDerWaalsContact CD2-CE2 3.43Å; L91-Y93 HydrophobicContact CD2-CG 3.93Å; Y93-D95 VanDerWaalsContact C-N 3.35Å; Y93-D95 WeakPolarHBondContact CB-O 3.46Å; Y93-T99 HydrophobicContact CD2-CG2 3.88Å; Y93-T99 HydrophobicContact CG-CG2 4.49Å; Y93-A102 HydrophobicContact CE2-CB 3.81Å; Y93-A102 WeakPolarHBondContact OH-CB 3.35Å |
| 94 | E | 92.4 | Very high | 92.5 | Very high | 117 Ų | 117 | 38.5 Ų | 38.5 | 55% | 0.547 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -66.7 | -39.8 | 170.6 | -170.4 | -174.3 | -175.5 | 0 | 0 | 111.2 | E70 V72 | E70-E94 HydrophobicContact CB-CB 4.4Å; E70-E94 PolarHBondContact O-N 3.16Å; V72-E94 VanDerWaalsContact CG2-CA 3.49Å; V72-E94 HydrophobicContact CG2-CB 3.78Å; V72-E94 HydrophobicContact CG2-CG 4.34Å |
| 95 | D | 91.7 | Very high | 92.7 | Very high | 72 Ų | 72 | 32.6 Ų | 32.6 | 39% | 0.385 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -116.1 | 143.9 | -178.5 | -169.4 | 15.5 | 0 | 0 | 0 | 112.2 | Y93 R97 S98 | Y93-D95 VanDerWaalsContact C-N 3.35Å; Y93-D95 WeakPolarHBondContact CB-O 3.46Å; D95-R97 VanDerWaalsContact C-N 3.27Å; D95-R97 PolarHBondContact O-N 3.12Å; D95-R97 WeakPolarHBondContact OD2-CB 3.42Å; D95-R97 WeakPolarHBondContact OD2-CD 3.27Å; D95-S98 WeakPolarHBondContact O-CB 3.43Å; D95-S98 PolarHBondContact O-N 3.31Å |
| 96 | Q | 91.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 176 | -176.3 | 60.2 | 21.2 | 0 | 0 | 111.8 | Y41 S44 S98 T99 V100 | Y41-Q96 PolarHBondContact O-NE2 3.16Å; S44-Q96 VanDerWaalsContact O-CD 3.28Å; S44-Q96 PolarHBondContact O-NE2 3.19Å; S44-Q96 PolarHBondContact O-OE1 3.02Å; Q96-S98 PolarHBondContact O-N 2.93Å; Q96-T99 PolarHBondContact NE2-OG1 2.91Å; Q96-T99 VanDerWaalsContact NE2-OG1 3.1Å; Q96-T99 WeakPolarHBondContact O-CB 3.3Å; Q96-T99 PolarHBondContact O-N 2.88Å; Q96-T99 PolarHBondContact O-OG1 3.4Å; Q96-V100 PolarHBondContact O-N 3.37Å |
| 97 | R | 91.4 | Very high | 92.8 | Very high | 112 Ų | 112 | 25.6 Ų | 25.6 | 42% | 0.423 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.1 | -35 | -176.7 | -61.2 | 173 | 170.5 | -173.9 | -10.8 | 111 | D95 T99 V100 L101 E247 F250 | D95-R97 VanDerWaalsContact C-N 3.27Å; D95-R97 PolarHBondContact O-N 3.12Å; D95-R97 WeakPolarHBondContact OD2-CB 3.42Å; D95-R97 WeakPolarHBondContact OD2-CD 3.27Å; R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.47Å; R97-V100 WeakPolarHBondContact O-CB 3.5Å; R97-V100 PolarHBondContact O-N 2.68Å; R97-V100 VanDerWaalsContact O-N 3.16Å; R97-L101 PolarHBondContact O-N 3.06Å; R97-L101 VanDerWaalsContact O-N 3.17Å; R97-E247 IonicContact NH2-OE1 3.67Å; R97-E247 PolarHBondContact NH2-OE1 3.46Å; R97-F250 HydrophobicContact CB-CD1 3.96Å; R97-F250 HydrophobicContact CB-CE1 3.61Å |
| 98 | S | 93.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -34.4 | 174.2 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | Y68 G69 D95 Q96 V100 L101 A102 | Y68-S98 WeakPolarHBondContact O-CB 3.37Å; Y68-S98 PolarHBondContact O-OG 2.62Å; G69-S98 WeakPolarHBondContact CA-OG 3.28Å; D95-S98 WeakPolarHBondContact O-CB 3.43Å; D95-S98 PolarHBondContact O-N 3.31Å; Q96-S98 PolarHBondContact O-N 2.93Å; S98-V100 VanDerWaalsContact C-N 3.34Å; S98-V100 PolarHBondContact O-N 2.96Å; S98-L101 PolarHBondContact O-N 3.3Å; S98-A102 WeakPolarHBondContact O-CB 3.39Å; S98-A102 PolarHBondContact O-N 3.3Å |
| 99 | T | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.1 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | A45 I47 Y93 Q96 R97 A102 V103 H120 | A45-T99 VanDerWaalsContact C-CG2 3.48Å; A45-T99 HydrophobicContact CB-CG2 4.18Å; A45-T99 WeakPolarHBondContact O-CG2 3.44Å; I47-T99 HydrophobicContact CG2-CG2 4Å; Y93-T99 HydrophobicContact CD2-CG2 3.88Å; Y93-T99 HydrophobicContact CG-CG2 4.49Å; Q96-T99 PolarHBondContact NE2-OG1 2.91Å; Q96-T99 VanDerWaalsContact NE2-OG1 3.1Å; Q96-T99 WeakPolarHBondContact O-CB 3.3Å; Q96-T99 PolarHBondContact O-N 2.88Å; Q96-T99 PolarHBondContact O-OG1 3.4Å; R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.47Å; T99-A102 PolarHBondContact O-N 3.4Å; T99-V103 WeakPolarHBondContact O-CB 3.44Å; T99-V103 VanDerWaalsContact O-CG2 3.23Å; T99-V103 WeakPolarHBondContact O-CG2 3.46Å; T99-V103 PolarHBondContact O-N 2.96Å; T99-H120 PolarHBondContact OG1-CE1 3.13Å; T99-H120 PolarHBondContact OG1-ND1 3.44Å |
| 100 | V | 91.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 178.9 | 175 | 0 | 0 | 0 | 0 | 110 | H38 Q96 R97 S98 A102 V103 D104 | H38-V100 HydrophobicContact CB-CG1 4.4Å; H38-V100 HydrophobicContact CB-CG2 3.87Å; H38-V100 VanDerWaalsContact CD2-CG1 3.5Å; H38-V100 WeakPolarHBondContact CD2-CG1 3.1Å; Q96-V100 PolarHBondContact O-N 3.37Å; R97-V100 WeakPolarHBondContact O-CB 3.5Å; R97-V100 PolarHBondContact O-N 2.68Å; R97-V100 VanDerWaalsContact O-N 3.16Å; S98-V100 VanDerWaalsContact C-N 3.34Å; S98-V100 PolarHBondContact O-N 2.96Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 2.96Å; V100-V103 PolarHBondContact O-N 3.03Å; V100-D104 WeakPolarHBondContact O-CB 3.32Å; V100-D104 PolarHBondContact O-N 3.22Å |
| 101 | L | 92.1 | Very high | 92.3 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.094 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.2 | -62.3 | -168.5 | 0 | 0 | 0 | 113 | Y68 R97 S98 N105 F250 P252 | Y68-L101 HydrophobicContact CD1-CB 4.05Å; Y68-L101 HydrophobicContact CD1-CD1 4.24Å; Y68-L101 HydrophobicContact CG-CB 3.98Å; R97-L101 PolarHBondContact O-N 3.06Å; R97-L101 VanDerWaalsContact O-N 3.17Å; S98-L101 PolarHBondContact O-N 3.3Å; L101-N105 VanDerWaalsContact O-CB 3.32Å; L101-N105 WeakPolarHBondContact O-CB 3.03Å; L101-N105 PolarHBondContact O-N 3.45Å; L101-N105 PolarHBondContact O-ND2 2.9Å; L101-F250 HydrophobicContact CD1-CD1 3.35Å; L101-F250 HydrophobicContact CD1-CD2 4.45Å; L101-F250 HydrophobicContact CD1-CE1 3.17Å; L101-F250 HydrophobicContact CD1-CE2 4.29Å; L101-F250 HydrophobicContact CD1-CG 4.01Å; L101-F250 HydrophobicContact CD1-CZ 3.7Å; L101-F250 HydrophobicContact CD2-CD1 4.13Å; L101-F250 WeakPolarHBondContact CD2-O 3.28Å; L101-F250 HydrophobicContact CG-CD1 3.77Å; L101-F250 HydrophobicContact CG-CE1 3.7Å; L101-P252 HydrophobicContact CD2-CG 3.75Å |
| 102 | A | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -46 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | I47 Y68 Y93 S98 T99 V100 F106 | I47-A102 HydrophobicContact CD1-CB 4.27Å; Y68-A102 HydrophobicContact CD2-CB 4.22Å; Y93-A102 HydrophobicContact CE2-CB 3.81Å; Y93-A102 WeakPolarHBondContact OH-CB 3.35Å; S98-A102 WeakPolarHBondContact O-CB 3.39Å; S98-A102 PolarHBondContact O-N 3.3Å; T99-A102 PolarHBondContact O-N 3.4Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 2.96Å; A102-F106 HydrophobicContact CB-CD2 4.06Å; A102-F106 WeakPolarHBondContact O-CA 3.24Å; A102-F106 WeakPolarHBondContact O-CB 3.42Å; A102-F106 PolarHBondContact O-N 2.89Å |
| 103 | V | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 179.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L17 W37 I47 T99 V100 N105 N107 V118 | L17-V103 HydrophobicContact CD2-CG1 3.71Å; W37-V103 HydrophobicContact CH2-CG1 3.73Å; W37-V103 HydrophobicContact CZ2-CG1 3.99Å; I47-V103 HydrophobicContact CG2-CG2 4.01Å; T99-V103 WeakPolarHBondContact O-CB 3.44Å; T99-V103 VanDerWaalsContact O-CG2 3.23Å; T99-V103 WeakPolarHBondContact O-CG2 3.46Å; T99-V103 PolarHBondContact O-N 2.96Å; V100-V103 PolarHBondContact O-N 3.03Å; V103-N105 PolarHBondContact O-N 3.02Å; V103-N107 WeakPolarHBondContact O-CB 3.3Å; V103-N107 PolarHBondContact O-N 3.33Å; V103-V118 HydrophobicContact CB-CG1 4.48Å; V103-V118 HydrophobicContact CG2-CG1 3.87Å |
| 104 | D | 90.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | -179.1 | -84.4 | 4.9 | 0 | 0 | 0 | 113.2 | N21 H38 V100 R254 Y255 | N21-D104 PolarHBondContact ND2-OD1 3.03Å; H38-D104 IonicContact CE1-OD1 2.62Å; H38-D104 PolarHBondContact CE1-OD1 2.84Å; H38-D104 IonicContact NE2-OD1 3.26Å; H38-D104 PolarHBondContact NE2-OD1 2.91Å; H38-D104 IonicContact NE2-OD2 3.21Å; V100-D104 WeakPolarHBondContact O-CB 3.32Å; V100-D104 PolarHBondContact O-N 3.22Å; D104-R254 PolarHBondContact O-NH1 3.42Å; D104-R254 PolarHBondContact O-NH2 2.86Å; D104-Y255 WeakPolarHBondContact OD2-CE2 3.2Å; D104-Y255 PolarHBondContact OD2-OH 2.8Å |
| 105 | N | 91.3 | Very high | 91.4 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -95.4 | -34.3 | -171.5 | -62.8 | -57.6 | 0 | 0 | 0 | 114.6 | Y68 L101 V103 I109 R254 | Y68-N105 HydrophobicContact CE1-CB 4.47Å; Y68-N105 HydrophobicContact CE2-CB 3.71Å; Y68-N105 WeakPolarHBondContact OH-CB 3.48Å; L101-N105 VanDerWaalsContact O-CB 3.32Å; L101-N105 WeakPolarHBondContact O-CB 3.03Å; L101-N105 PolarHBondContact O-N 3.45Å; L101-N105 PolarHBondContact O-ND2 2.9Å; V103-N105 PolarHBondContact O-N 3.02Å; N105-I109 VanDerWaalsContact O-CG2 3.29Å; N105-I109 WeakPolarHBondContact O-CG2 3.31Å; N105-R254 PolarHBondContact OD1-NH2 2.85Å |
| 106 | F | 93.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -90.4 | -15 | -179.6 | -70.3 | -53.6 | 0 | 0 | 0 | 114 | V64 F65 Q67 Y68 A102 G108 I109 I116 V118 | V64-F106 HydrophobicContact CG1-CE1 4Å; V64-F106 HydrophobicContact CG1-CZ 3.98Å; V64-F106 VanDerWaalsContact O-CZ 3.32Å; V64-F106 WeakPolarHBondContact O-CZ 3.38Å; F65-F106 AromaticContact CD1-CD2 3.51Å; F65-F106 HydrophobicContact CD1-CD2 3.51Å; F65-F106 AromaticContact CD1-CE2 3.52Å; F65-F106 HydrophobicContact CD1-CE2 3.52Å; F65-F106 HydrophobicContact CD1-CG 4.44Å; F65-F106 HydrophobicContact CD1-CZ 4.44Å; F65-F106 HydrophobicContact CE1-CB 4.11Å; F65-F106 AromaticContact CE1-CD2 3.41Å; F65-F106 HydrophobicContact CE1-CD2 3.41Å; F65-F106 VanDerWaalsContact CE1-CD2 3.41Å; F65-F106 AromaticContact CE1-CE2 3.88Å; F65-F106 HydrophobicContact CE1-CE2 3.88Å; F65-F106 AromaticContact CE1-CG 3.95Å; F65-F106 HydrophobicContact CE1-CG 3.95Å; F65-F106 HydrophobicContact CG-CD2 4.47Å; F65-F106 HydrophobicContact CG-CE2 4.11Å; F65-F106 HydrophobicContact CZ-CD2 4.29Å; F65-F106 HydrophobicContact CZ-CG 4.48Å; Q67-F106 VanDerWaalsContact CD-CZ 3.46Å; Q67-F106 HydrophobicContact CG-CE2 4.13Å; Q67-F106 HydrophobicContact CG-CZ 3.65Å; Y68-F106 AromaticContact CD2-CD2 3.66Å; Y68-F106 HydrophobicContact CD2-CD2 3.66Å; Y68-F106 AromaticContact CD2-CE2 3.26Å; Y68-F106 HydrophobicContact CD2-CE2 3.26Å; Y68-F106 AromaticContact CD2-CZ 3.96Å; Y68-F106 HydrophobicContact CD2-CZ 3.96Å; Y68-F106 HydrophobicContact CE2-CD1 4.29Å; Y68-F106 AromaticContact CE2-CD2 3.54Å; Y68-F106 HydrophobicContact CE2-CD2 3.54Å; Y68-F106 HydrophobicContact CE2-CE1 4.12Å; Y68-F106 AromaticContact CE2-CE2 3.3Å; Y68-F106 HydrophobicContact CE2-CE2 3.3Å; Y68-F106 HydrophobicContact CE2-CG 4.07Å; Y68-F106 AromaticContact CE2-CZ 3.66Å; Y68-F106 HydrophobicContact CE2-CZ 3.66Å; A102-F106 HydrophobicContact CB-CD2 4.06Å; A102-F106 WeakPolarHBondContact O-CA 3.24Å; A102-F106 WeakPolarHBondContact O-CB 3.42Å; A102-F106 PolarHBondContact O-N 2.89Å; F106-G108 PolarHBondContact O-N 3.49Å; F106-I109 HydrophobicContact CD1-CD1 3.52Å; F106-I109 HydrophobicContact CD1-CG1 4.19Å; F106-I109 HydrophobicContact CE1-CD1 4.01Å; F106-I109 WeakPolarHBondContact O-CG1 3.41Å; F106-I109 PolarHBondContact O-N 2.69Å; F106-I116 HydrophobicContact CB-CD1 4.4Å; F106-I116 WeakPolarHBondContact O-CG1 3.28Å; F106-V118 HydrophobicContact CB-CB 4.37Å; F106-V118 HydrophobicContact CB-CG2 3.62Å |
| 107 | N | 91.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 114.3 | 178.8 | -178.6 | 58.7 | 0 | 0 | 0 | 111.7 | V14 L17 N18 V103 V118 | V14-N107 PolarHBondContact O-ND2 3.48Å; L17-N107 WeakPolarHBondContact CB-ND2 3.28Å; L17-N107 HydrophobicContact CD2-CB 4.07Å; N18-N107 PolarHBondContact OD1-ND2 3.34Å; V103-N107 WeakPolarHBondContact O-CB 3.3Å; V103-N107 PolarHBondContact O-N 3.33Å; N107-V118 HydrophobicContact CB-CB 4.35Å; N107-V118 PolarHBondContact OD1-N 3.03Å; N107-V118 PolarHBondContact OD1-O 2.94Å |
| 108 | G | 89.4 | Confident | 91.7 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 5.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F106 I116 | F106-G108 PolarHBondContact O-N 3.49Å; G108-I116 VanDerWaalsContact CA-O 3.3Å; G108-I116 WeakPolarHBondContact CA-O 3.47Å; G108-I116 PolarHBondContact N-O 3.29Å |
| 109 | I | 91.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | trans | -69.6 | 154.3 | 174.2 | 70.5 | 153.5 | 0 | 0 | 0 | 111.1 | N105 F106 L111 I115 I116 | N105-I109 VanDerWaalsContact O-CG2 3.29Å; N105-I109 WeakPolarHBondContact O-CG2 3.31Å; F106-I109 HydrophobicContact CD1-CD1 3.52Å; F106-I109 HydrophobicContact CD1-CG1 4.19Å; F106-I109 HydrophobicContact CE1-CD1 4.01Å; F106-I109 WeakPolarHBondContact O-CG1 3.41Å; F106-I109 PolarHBondContact O-N 2.69Å; I109-L111 HydrophobicContact CD1-CD1 4.36Å; I109-I115 WeakPolarHBondContact O-CA 3.36Å; I109-I116 HydrophobicContact CD1-CD1 3.68Å; I109-I116 HydrophobicContact CD1-CG1 4.39Å; I109-I116 HydrophobicContact CG1-CD1 3.34Å; I109-I116 HydrophobicContact CG1-CG1 3.52Å; I109-I116 PolarHBondContact O-N 2.78Å | ||
| 110 | K | 91.1 | Very high | 91.7 | Very high | 161 Ų | 161 | 35.7 Ų | 35.7 | 70% | 0.7 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.2 | 171.3 | -73.3 | 177.9 | -178.3 | 179.7 | 0 | 109.4 | R114 I115 | K110-R114 CarbonylContact C-O 3.45Å; K110-R114 VanDerWaalsContact CA-O 3.3Å; K110-R114 WeakPolarHBondContact CA-O 3.33Å; K110-I115 HydrophobicContact CG-CD1 4.43Å; K110-I115 HydrophobicContact CG-CG1 3.64Å |
| 111 | L | 90.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 119.7 | 177.3 | -164.8 | 143.9 | 0 | 0 | 0 | 108.4 | L56 V64 I109 G113 R114 I116 | L56-L111 HydrophobicContact CD1-CD2 3.27Å; L56-L111 HydrophobicContact CD2-CD2 4.11Å; L56-L111 HydrophobicContact CG-CD2 4.27Å; V64-L111 HydrophobicContact CB-CD1 4.44Å; V64-L111 HydrophobicContact CG1-CD1 3.79Å; V64-L111 HydrophobicContact CG2-CD1 4.09Å; I109-L111 HydrophobicContact CD1-CD1 4.36Å; L111-G113 VanDerWaalsContact C-N 3.25Å; L111-G113 PolarHBondContact O-N 2.99Å; L111-R114 PolarHBondContact N-O 2.98Å; L111-R114 PolarHBondContact O-N 3.38Å; L111-I116 HydrophobicContact CB-CG2 3.97Å |
| 112 | L | 90.5 | Very high | 91.7 | Very high | 114 Ų | 114 | 39 Ų | 39 | 60% | 0.597 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 45.5 | -171.9 | -60.9 | 174.6 | 0 | 0 | 0 | 112.9 | L56 R114 | L56-L112 HydrophobicContact CD1-CD1 4.23Å; L56-L112 HydrophobicContact CD2-CD1 3.74Å; L56-L112 HydrophobicContact CG-CD1 3.84Å; L112-R114 PolarHBondContact O-N 3.43Å; L112-R114 VanDerWaalsContact O-N 3.16Å |
| 113 | G | 88.5 | Confident | 91.5 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 75% | 0.753 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -5.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L111 | L111-G113 VanDerWaalsContact C-N 3.25Å; L111-G113 PolarHBondContact O-N 2.99Å |
| 114 | R | 88.4 | Confident | 91.2 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.4 | 177.8 | -63.7 | 178 | 66.2 | 89 | -2.8 | 111.1 | G51 K110 L111 L112 | G51-R114 PolarHBondContact O-NE 2.91Å; K110-R114 CarbonylContact C-O 3.45Å; K110-R114 VanDerWaalsContact CA-O 3.3Å; K110-R114 WeakPolarHBondContact CA-O 3.33Å; L111-R114 PolarHBondContact N-O 2.98Å; L111-R114 PolarHBondContact O-N 3.38Å; L112-R114 PolarHBondContact O-N 3.43Å; L112-R114 VanDerWaalsContact O-N 3.16Å |
| 115 | I | 91.3 | Very high | 90.9 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.2 | 176.7 | -67.1 | 164.3 | 0 | 0 | 0 | 108.6 | F11 I109 K110 | F11-I115 HydrophobicContact CD1-CD1 4.46Å; F11-I115 HydrophobicContact CE1-CD1 3.4Å; F11-I115 VanDerWaalsContact CE1-CD1 3.4Å; F11-I115 HydrophobicContact CZ-CD1 3.95Å; I109-I115 WeakPolarHBondContact O-CA 3.36Å; K110-I115 HydrophobicContact CG-CD1 4.43Å; K110-I115 HydrophobicContact CG-CG1 3.64Å |
| 116 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -94.9 | 149.3 | 177.6 | 75.2 | -178.5 | 0 | 0 | 0 | 110.5 | G50 L52 F65 F106 G108 I109 L111 V118 | G50-I116 CarbonylContact O-C 3.53Å; G50-I116 WeakPolarHBondContact O-CA 3.31Å; G50-I116 WeakPolarHBondContact O-CB 3.5Å; L52-I116 HydrophobicContact CD2-CG2 4.16Å; F65-I116 HydrophobicContact CZ-CD1 4.11Å; F106-I116 HydrophobicContact CB-CD1 4.4Å; F106-I116 WeakPolarHBondContact O-CG1 3.28Å; G108-I116 VanDerWaalsContact CA-O 3.3Å; G108-I116 WeakPolarHBondContact CA-O 3.47Å; G108-I116 PolarHBondContact N-O 3.29Å; I109-I116 HydrophobicContact CD1-CD1 3.68Å; I109-I116 HydrophobicContact CD1-CG1 4.39Å; I109-I116 HydrophobicContact CG1-CD1 3.34Å; I109-I116 HydrophobicContact CG1-CG1 3.52Å; I109-I116 PolarHBondContact O-N 2.78Å; L111-I116 HydrophobicContact CB-CG2 3.97Å; I116-V118 HydrophobicContact CD1-CG2 4.29Å; I116-V118 HydrophobicContact CG1-CG2 4.36Å | ||
| 117 | R | 92.4 | Very high | 89.5 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 13% | 0.125 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.1 | 169.3 | 168.3 | 177.8 | 169.3 | 73.6 | -14.2 | 108.1 | L10 N13 V14 V49 G50 D119 | L10-R117 HydrophobicContact CD1-CB 3.32Å; L10-R117 HydrophobicContact CD1-CG 4.21Å; L10-R117 HydrophobicContact CG-CB 4.44Å; N13-R117 PolarHBondContact O-NH1 3.48Å; V14-R117 HydrophobicContact CG2-CB 3.85Å; V14-R117 HydrophobicContact CG2-CG 4.32Å; V49-R117 CarbonylContact C-O 3.58Å; V49-R117 WeakPolarHBondContact CA-O 3.21Å; G50-R117 PolarHBondContact N-O 2.62Å; G50-R117 PolarHBondContact O-N 3.4Å; R117-D119 IonicContact CZ-OD2 3.69Å; R117-D119 VanDerWaalsContact CZ-OD2 3.26Å; R117-D119 IonicContact NH1-OD2 2.76Å; R117-D119 IonicContact NH2-OD2 3.21Å; R117-D119 PolarHBondContact NH2-OD2 3.35Å |
| 118 | V | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.2 | 172.5 | -172 | 0 | 0 | 0 | 0 | 107.9 | L17 I47 F48 V49 F65 V103 F106 N107 I116 | L17-V118 WeakPolarHBondContact CD2-O 3.3Å; I47-V118 HydrophobicContact CB-CG1 4.44Å; I47-V118 HydrophobicContact CD1-CG1 3.97Å; F48-V118 VanDerWaalsContact O-CA 3.31Å; F48-V118 WeakPolarHBondContact O-CA 3.09Å; V49-V118 HydrophobicContact CG1-CG2 4.45Å; V49-V118 HydrophobicContact CG2-CG2 4.49Å; F65-V118 HydrophobicContact CE1-CG1 4.42Å; F65-V118 HydrophobicContact CE1-CG2 4.01Å; F65-V118 HydrophobicContact CZ-CG2 4.03Å; V103-V118 HydrophobicContact CB-CG1 4.48Å; V103-V118 HydrophobicContact CG2-CG1 3.87Å; F106-V118 HydrophobicContact CB-CB 4.37Å; F106-V118 HydrophobicContact CB-CG2 3.62Å; N107-V118 HydrophobicContact CB-CB 4.35Å; N107-V118 PolarHBondContact OD1-N 3.03Å; N107-V118 PolarHBondContact OD1-O 2.94Å; I116-V118 HydrophobicContact CD1-CG2 4.29Å; I116-V118 HydrophobicContact CG1-CG2 4.36Å |
| 119 | D | 94 | Very high | 87.8 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 156.5 | -177.9 | -156.3 | -6.1 | 0 | 0 | 0 | 110.7 | I47 F48 R117 | I47-D119 CarbonylContact C-O 3.49Å; I47-D119 VanDerWaalsContact CA-O 3.3Å; I47-D119 WeakPolarHBondContact CA-O 2.96Å; F48-D119 PolarHBondContact N-O 3.31Å; F48-D119 PolarHBondContact O-N 3.05Å; R117-D119 IonicContact CZ-OD2 3.69Å; R117-D119 VanDerWaalsContact CZ-OD2 3.26Å; R117-D119 IonicContact NH1-OD2 2.76Å; R117-D119 IonicContact NH2-OD2 3.21Å; R117-D119 PolarHBondContact NH2-OD2 3.35Å |
| 120 | H | 94 | Very high | 86.6 | Confident | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 150.8 | 174.8 | -67.9 | -84.1 | 0 | 0 | 0 | 111.5 | W37 H38 Y41 T99 | W37-H120 AromaticContact CH2-CD2 3.52Å; W37-H120 AromaticContact CZ3-CD2 3.62Å; H38-H120 AromaticContact CE1-NE2 3.52Å; H38-H120 AromaticContact CG-NE2 3.93Å; H38-H120 AromaticContact ND1-CD2 3.61Å; H38-H120 AromaticContact ND1-CE1 3.83Å; H38-H120 AromaticContact ND1-NE2 2.83Å; H38-H120 PolarHBondContact ND1-NE2 2.94Å; Y41-H120 HydrophobicContact CD1-CB 3.47Å; Y41-H120 VanDerWaalsContact CD1-CB 3.47Å; Y41-H120 HydrophobicContact CD2-CB 3.53Å; Y41-H120 AromaticContact CD2-CD2 3.86Å; Y41-H120 AromaticContact CD2-CG 3.73Å; Y41-H120 HydrophobicContact CE1-CB 3.83Å; Y41-H120 HydrophobicContact CE2-CB 3.88Å; Y41-H120 HydrophobicContact CG-CB 3.31Å; Y41-H120 AromaticContact CG-CG 3.75Å; T99-H120 PolarHBondContact OG1-CE1 3.13Å; T99-H120 PolarHBondContact OG1-ND1 3.44Å |
| 121 | V | 94 | Very high | 85.4 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.1 | 174.4 | 178 | 0 | 0 | 0 | 0 | 108.2 | S44 W46 F48 F90 | S44-V121 VanDerWaalsContact CB-O 3.29Å; S44-V121 WeakPolarHBondContact CB-O 3.29Å; S44-V121 PolarHBondContact OG-O 2.94Å; W46-V121 HydrophobicContact CB-CB 3.91Å; W46-V121 HydrophobicContact CB-CG1 4.37Å; W46-V121 PolarHBondContact O-N 3.15Å; F48-V121 HydrophobicContact CB-CG2 3.59Å; F90-V121 HydrophobicContact CD1-CG2 4.06Å; F90-V121 HydrophobicContact CE1-CG2 4.04Å |
| 122 | E | 90.3 | Very high | 84.5 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 43% | 0.425 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -70.1 | -42.5 | -176.8 | -164.4 | -176.7 | 145.2 | 0 | 0 | 112.6 | K40 Y41 S44 | K40-E122 WeakPolarHBondContact CE-OE2 3.2Å; K40-E122 IonicContact NZ-OE2 3.03Å; Y41-E122 HydrophobicContact CD1-CB 3.92Å; Y41-E122 HydrophobicContact CD1-CG 4.39Å; Y41-E122 HydrophobicContact CE1-CB 3.96Å; S44-E122 VanDerWaalsContact CB-O 3.27Å; S44-E122 WeakPolarHBondContact CB-O 3.45Å; S44-E122 PolarHBondContact OG-O 3.36Å |
| 123 | K | 88.4 | Confident | 83.5 | Confident | 170 Ų | 170 | 80.8 Ų | 80.8 | 74% | 0.739 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -135.8 | 87.4 | -177.8 | -66.6 | -179.2 | -175.5 | 174.3 | 0 | 109.5 | ||
| 124 | Y | 87.1 | Confident | 82.8 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 14% | 0.137 | 39% | 0.39 | C | S | . | . | trans | -72.8 | 136.3 | 172.2 | -178.5 | -110.1 | 0 | 0 | 0 | 110.3 | W46 N75 F90 I126 P127 | W46-Y124 AromaticContact CD2-CD1 3.48Å; W46-Y124 HydrophobicContact CD2-CD1 3.48Å; W46-Y124 VanDerWaalsContact CD2-CD1 3.48Å; W46-Y124 HydrophobicContact CD2-CD2 4.5Å; W46-Y124 HydrophobicContact CD2-CE1 4.28Å; W46-Y124 AromaticContact CD2-CG 3.58Å; W46-Y124 HydrophobicContact CD2-CG 3.58Å; W46-Y124 AromaticContact CE2-CD1 3.42Å; W46-Y124 VanDerWaalsContact CE2-CD1 3.42Å; W46-Y124 AromaticContact CE2-CG 3.96Å; W46-Y124 AromaticContact CE3-CD1 3.45Å; W46-Y124 HydrophobicContact CE3-CD1 3.45Å; W46-Y124 VanDerWaalsContact CE3-CD1 3.45Å; W46-Y124 HydrophobicContact CE3-CD2 4.14Å; W46-Y124 AromaticContact CE3-CE1 3.83Å; W46-Y124 HydrophobicContact CE3-CE1 3.83Å; W46-Y124 AromaticContact CE3-CG 3.59Å; W46-Y124 HydrophobicContact CE3-CG 3.59Å; W46-Y124 VanDerWaalsContact CG-CB 3.45Å; W46-Y124 HydrophobicContact CG-CD1 4.33Å; W46-Y124 HydrophobicContact CG-CG 4.06Å; W46-Y124 AromaticContact CH2-CD1 3.34Å; W46-Y124 HydrophobicContact CH2-CD1 3.34Å; W46-Y124 AromaticContact CH2-CE1 3.25Å; W46-Y124 HydrophobicContact CH2-CE1 3.25Å; W46-Y124 HydrophobicContact CH2-CG 4.32Å; W46-Y124 AromaticContact CZ2-CD1 3.37Å; W46-Y124 HydrophobicContact CZ2-CD1 3.37Å; W46-Y124 AromaticContact CZ2-CE1 3.76Å; W46-Y124 HydrophobicContact CZ2-CE1 3.76Å; W46-Y124 HydrophobicContact CZ2-CG 4.32Å; W46-Y124 AromaticContact CZ3-CD1 3.39Å; W46-Y124 HydrophobicContact CZ3-CD1 3.39Å; W46-Y124 HydrophobicContact CZ3-CD2 4.48Å; W46-Y124 AromaticContact CZ3-CE1 3.29Å; W46-Y124 HydrophobicContact CZ3-CE1 3.29Å; W46-Y124 HydrophobicContact CZ3-CE2 4.45Å; W46-Y124 AromaticContact CZ3-CG 3.98Å; W46-Y124 HydrophobicContact CZ3-CG 3.98Å; W46-Y124 AromaticContact CZ3-CZ 3.87Å; N75-Y124 VanDerWaalsContact CB-OH 3.28Å; N75-Y124 WeakPolarHBondContact CB-OH 3.32Å; N75-Y124 VanDerWaalsContact CG-OH 3.3Å; N75-Y124 PolarHBondContact ND2-OH 2.98Å; F90-Y124 HydrophobicContact CB-CD2 3.95Å; F90-Y124 HydrophobicContact CB-CE2 3.42Å; F90-Y124 VanDerWaalsContact CB-CE2 3.42Å; F90-Y124 AromaticContact CD1-CD2 3.63Å; F90-Y124 HydrophobicContact CD1-CD2 3.63Å; F90-Y124 AromaticContact CD1-CE2 3.67Å; F90-Y124 HydrophobicContact CD1-CE2 3.67Å; F90-Y124 HydrophobicContact CD2-CD2 4.39Å; F90-Y124 AromaticContact CD2-CE2 3.6Å; F90-Y124 HydrophobicContact CD2-CE2 3.6Å; F90-Y124 HydrophobicContact CE1-CD2 4.17Å; F90-Y124 HydrophobicContact CE1-CE2 4.28Å; F90-Y124 HydrophobicContact CE2-CE2 4.21Å; F90-Y124 AromaticContact CG-CD2 3.74Å; F90-Y124 HydrophobicContact CG-CD2 3.74Å; F90-Y124 AromaticContact CG-CE2 3.27Å; F90-Y124 HydrophobicContact CG-CE2 3.27Å; Y124-I126 HydrophobicContact CD1-CG1 4.12Å; Y124-I126 HydrophobicContact CE1-CB 4.34Å; Y124-I126 HydrophobicContact CE1-CG1 3.77Å; Y124-P127 VanDerWaalsContact OH-CD 3.24Å; Y124-P127 WeakPolarHBondContact OH-CD 3.46Å | ||
| 125 | R | 83.2 | Confident | 82.2 | Confident | 223 Ų | 223 | 85.9 Ų | 85.9 | 84% | 0.842 | 41% | 0.411 | S | S | * | . | trans | -113.2 | 113.7 | 172.4 | -65.9 | -171.7 | -176.3 | -149.4 | 1.5 | 107.7 | P127 | R125-P127 WeakPolarHBondContact O-CD 3.49Š| ||
| 126 | I | 80.4 | Confident | 81.3 | Confident | 93 Ų | 93 | 87.6 Ų | 87.6 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -57 | 126.6 | 172.7 | -58.8 | 170.6 | 0 | 0 | 0 | 107.6 | Y124 K128 L141 | Y124-I126 HydrophobicContact CD1-CG1 4.12Å; Y124-I126 HydrophobicContact CE1-CB 4.34Å; Y124-I126 HydrophobicContact CE1-CG1 3.77Å; I126-K128 PolarHBondContact O-N 2.91Å; I126-L141 HydrophobicContact CG2-CD2 4.18Å |
| 127 | P | 76.4 | Confident | 80.4 | Confident | 57 Ų | 57 | 89.2 Ų | 89.2 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -53 | 137.9 | 175.6 | -27.1 | 33.9 | 0 | 0 | 0 | 111.2 | Y124 R125 I129 | Y124-P127 VanDerWaalsContact OH-CD 3.24Å; Y124-P127 WeakPolarHBondContact OH-CD 3.46Å; R125-P127 WeakPolarHBondContact O-CD 3.49Å; P127-I129 PolarHBondContact O-N 3.25Å |
| 128 | K | 71.9 | Confident | 79.5 | Confident | 187 Ų | 187 | 90 Ų | 90 | 81% | 0.813 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 122.1 | 173.5 | -66 | -175.8 | 179.1 | -175.1 | 0 | 108.7 | I126 R130 | I126-K128 PolarHBondContact O-N 2.91Å; K128-R130 PolarHBondContact O-N 3.09Å |
| 129 | I | 72.6 | Confident | 78.4 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 123.6 | 170.1 | -65.4 | 155 | 0 | 0 | 0 | 108.5 | P127 L138 | P127-I129 PolarHBondContact O-N 3.25Å; I129-L138 HydrophobicContact CB-CD2 4.3Å; I129-L138 HydrophobicContact CD1-CD2 3.5Å; I129-L138 HydrophobicContact CG1-CD2 3.72Å; I129-L138 HydrophobicContact CG1-CG 4.48Å; I129-L138 HydrophobicContact CG2-CD2 3.6Å; I129-L138 HydrophobicContact CG2-CG 4.27Å |
| 130 | R | 64.7 | Low | 77.3 | Confident | 197 Ų | 197 | 98.1 Ų | 98.1 | 74% | 0.743 | 48% | 0.479 | S | S | * | . | trans | -101.7 | 4.4 | 179.2 | -77.4 | -178.9 | 173.6 | 173.3 | -2.5 | 114.4 | K128 D132 | K128-R130 PolarHBondContact O-N 3.09Å; R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 PolarHBondContact O-N 3.25Å | ||
| 131 | G | 67.3 | Low | 76.2 | Confident | 62 Ų | 62 | 98.3 Ų | 98.3 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 88.9 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 132 | D | 71.8 | Confident | 75 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | trans | -93.6 | 1.5 | 179.9 | -45.7 | -31.3 | 0 | 0 | 0 | 113.6 | R80 R130 | R80-D132 IonicContact CZ-OD2 3.59Å; R80-D132 IonicContact NE-OD2 3.85Å; R80-D132 IonicContact NH2-OD2 3.78Å; R80-D132 PolarHBondContact NH2-OD2 3.15Å; R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 PolarHBondContact O-N 3.25Å | ||
| 133 | E | 69.7 | Low | 74.1 | Confident | 86 Ų | 86 | 103.4 Ų | 103.4 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -82.1 | 146.1 | -173.5 | -62.2 | -85.9 | 156.8 | 0 | 0 | 110.6 | L138 | E133-L138 HydrophobicContact CB-CD1 3.97Å; E133-L138 HydrophobicContact CB-CG 4.1Å; E133-L138 VanDerWaalsContact O-CD1 3.3Å; E133-L138 WeakPolarHBondContact O-CD1 3.44Å |
| 134 | D | 72.6 | Confident | 73.3 | Confident | 104 Ų | 104 | 96 Ų | 96 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | trans | -63.1 | 144.9 | 175.4 | -58.5 | -46.4 | 0 | 0 | 0 | 111 | S136 T137 L138 | D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 VanDerWaalsContact O-N 3.13Å; D134-T137 PolarHBondContact O-N 3.4Å; D134-L138 WeakPolarHBondContact O-CB 3.39Å; D134-L138 PolarHBondContact O-N 3.5Å | ||
| 135 | E | 76.3 | Confident | 72.2 | Confident | 170 Ų | 170 | 96.7 Ų | 96.7 | 79% | 0.794 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.3 | -35.4 | -177.4 | -169.5 | -178.3 | 176.9 | 0 | 0 | 112.4 | L138 K139 | E135-L138 WeakPolarHBondContact O-CB 3.32Å; E135-K139 VanDerWaalsContact O-CB 3.26Å; E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 PolarHBondContact O-N 3.43Å |
| 136 | S | 72.2 | Confident | 71.1 | Confident | 79 Ų | 79 | 87.3 Ų | 87.3 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 176 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | D134 K139 M140 | D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 VanDerWaalsContact O-N 3.13Å; S136-K139 PolarHBondContact O-N 3.29Å; S136-M140 WeakPolarHBondContact O-CG 3.29Å; S136-M140 PolarHBondContact O-N 3.35Å |
| 137 | T | 73.5 | Confident | 69.8 | Low | 34 Ų | 34 | 87.3 Ų | 87.3 | 21% | 0.209 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 179.1 | -46.5 | 0 | 0 | 0 | 0 | 110.8 | D134 K139 M140 L141 | D134-T137 PolarHBondContact O-N 3.4Å; T137-K139 VanDerWaalsContact C-N 3.34Å; T137-K139 PolarHBondContact O-N 3.13Å; T137-M140 PolarHBondContact O-N 3.29Å; T137-L141 HydrophobicContact CG2-CD1 4.09Å; T137-L141 WeakPolarHBondContact O-CB 3.39Å; T137-L141 VanDerWaalsContact O-CG 3.28Å; T137-L141 WeakPolarHBondContact O-CG 3.42Å; T137-L141 PolarHBondContact O-N 3.49Å |
| 138 | L | 74.1 | Confident | 68.6 | Low | 49 Ų | 49 | 90.7 Ų | 90.7 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.1 | -48.1 | 172.5 | -104.2 | 150 | 0 | 0 | 0 | 112.1 | I129 E133 D134 E135 L141 L142 | I129-L138 HydrophobicContact CB-CD2 4.3Å; I129-L138 HydrophobicContact CD1-CD2 3.5Å; I129-L138 HydrophobicContact CG1-CD2 3.72Å; I129-L138 HydrophobicContact CG1-CG 4.48Å; I129-L138 HydrophobicContact CG2-CD2 3.6Å; I129-L138 HydrophobicContact CG2-CG 4.27Å; E133-L138 HydrophobicContact CB-CD1 3.97Å; E133-L138 HydrophobicContact CB-CG 4.1Å; E133-L138 VanDerWaalsContact O-CD1 3.3Å; E133-L138 WeakPolarHBondContact O-CD1 3.44Å; D134-L138 WeakPolarHBondContact O-CB 3.39Å; D134-L138 PolarHBondContact O-N 3.5Å; E135-L138 WeakPolarHBondContact O-CB 3.32Å; L138-L141 PolarHBondContact O-N 3.36Å; L138-L142 WeakPolarHBondContact O-CB 3.13Å; L138-L142 PolarHBondContact O-N 3.47Å |
| 139 | K | 71.4 | Confident | 67.6 | Low | 134 Ų | 134 | 87 Ų | 87 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -40.2 | -179.9 | -165.7 | 173.7 | -177.4 | -178.8 | 0 | 111.7 | E135 S136 T137 L142 N143 | E135-K139 VanDerWaalsContact O-CB 3.26Å; E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 PolarHBondContact O-N 3.43Å; S136-K139 PolarHBondContact O-N 3.29Å; T137-K139 VanDerWaalsContact C-N 3.34Å; T137-K139 PolarHBondContact O-N 3.13Å; K139-L142 PolarHBondContact O-N 3.43Å; K139-N143 WeakPolarHBondContact O-CB 3.5Å; K139-N143 PolarHBondContact O-N 3.31Å |
| 140 | M | 72.2 | Confident | 66.4 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.8 | -71.5 | -132.8 | 142.3 | 0 | 0 | 112.9 | H73 I74 S136 T137 G144 I145 | H73-M140 PolarHBondContact ND1-O 2.92Å; I74-M140 HydrophobicContact CG2-SD 4.01Å; S136-M140 WeakPolarHBondContact O-CG 3.29Å; S136-M140 PolarHBondContact O-N 3.35Å; T137-M140 PolarHBondContact O-N 3.29Å; M140-G144 VanDerWaalsContact O-CA 3.32Å; M140-G144 WeakPolarHBondContact O-CA 3.39Å; M140-G144 PolarHBondContact O-N 3.32Å; M140-G144 VanDerWaalsContact O-N 3.11Å; M140-I145 HydrophobicContact CE-CB 4.47Å; M140-I145 HydrophobicContact CE-CG1 3.61Å; M140-I145 HydrophobicContact SD-CG1 3.87Å |
| 141 | L | 70.2 | Confident | 65.6 | Low | 14 Ų | 14 | 92.1 Ų | 92.1 | 7% | 0.073 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 177 | -76.4 | 166.6 | 0 | 0 | 0 | 112 | H73 N75 I126 T137 L138 | H73-L141 PolarHBondContact CE1-O 2.94Å; N75-L141 HydrophobicContact CB-CD2 4.07Å; I126-L141 HydrophobicContact CG2-CD2 4.18Å; T137-L141 HydrophobicContact CG2-CD1 4.09Å; T137-L141 WeakPolarHBondContact O-CB 3.39Å; T137-L141 VanDerWaalsContact O-CG 3.28Å; T137-L141 WeakPolarHBondContact O-CG 3.42Å; T137-L141 PolarHBondContact O-N 3.49Å; L138-L141 PolarHBondContact O-N 3.36Å |
| 142 | L | 69.2 | Low | 64.3 | Low | 124 Ų | 124 | 98 Ų | 98 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -84.1 | -48.6 | -175.3 | -171 | 69.3 | 0 | 0 | 0 | 113.1 | L138 K139 | L138-L142 WeakPolarHBondContact O-CB 3.13Å; L138-L142 PolarHBondContact O-N 3.47Å; K139-L142 PolarHBondContact O-N 3.43Å |
| 143 | N | 71.7 | Confident | 62.7 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -103.6 | -16.8 | -168.9 | -61 | -13.9 | 0 | 0 | 0 | 113.2 | K139 | K139-N143 WeakPolarHBondContact O-CB 3.5Å; K139-N143 PolarHBondContact O-N 3.31Å |
| 144 | G | 69.9 | Low | 61.8 | Low | 15 Ų | 15 | 99.2 Ų | 99.2 | 16% | 0.155 | 53% | 0.528 | C | S | . | . | trans | 79 | -179.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V72 H73 M140 | V72-G144 CarbonylContact O-C 3.56Å; V72-G144 WeakPolarHBondContact O-CA 3.35Å; H73-G144 WeakPolarHBondContact CE1-CA 3.12Å; H73-G144 PolarHBondContact CE1-N 3.12Å; H73-G144 WeakPolarHBondContact ND1-CA 3.44Å; H73-G144 PolarHBondContact ND1-N 3.3Å; M140-G144 VanDerWaalsContact O-CA 3.32Å; M140-G144 WeakPolarHBondContact O-CA 3.39Å; M140-G144 PolarHBondContact O-N 3.32Å; M140-G144 VanDerWaalsContact O-N 3.11Å | ||
| 145 | I | 64.9 | Low | 60.7 | Low | 48 Ų | 48 | 99 Ų | 99 | 25% | 0.246 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -90.1 | -29.7 | 176.3 | -59.4 | 151.4 | 0 | 0 | 0 | 110.5 | I62 I71 V72 I74 M140 | I62-I145 HydrophobicContact CD1-CD1 3.42Å; I62-I145 VanDerWaalsContact CD1-CD1 3.42Å; I62-I145 HydrophobicContact CD1-CG1 4.05Å; I62-I145 HydrophobicContact CD1-CG2 4.35Å; I62-I145 HydrophobicContact CG1-CD1 3.81Å; I71-I145 HydrophobicContact CG2-CD1 3.77Å; V72-I145 PolarHBondContact O-N 3.35Å; I74-I145 HydrophobicContact CB-CD1 3.6Å; I74-I145 HydrophobicContact CG2-CD1 3.46Å; I74-I145 VanDerWaalsContact CG2-CD1 3.46Å; I74-I145 HydrophobicContact CG2-CG1 4.2Å; M140-I145 HydrophobicContact CE-CB 4.47Å; M140-I145 HydrophobicContact CE-CG1 3.61Å; M140-I145 HydrophobicContact SD-CG1 3.87Å |
| 146 | A | 61.1 | Low | 59.5 | Low | 26 Ų | 26 | 96.6 Ų | 96.6 | 22% | 0.215 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -61.4 | 126.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V72 T148 | V72-A146 HydrophobicContact CB-CB 4.46Å; V72-A146 HydrophobicContact CG1-CB 4.22Å; V72-A146 HydrophobicContact CG2-CB 4.42Å; A146-T148 PolarHBondContact O-N 3.46Å; A146-T148 VanDerWaalsContact O-N 3.12Å |
| 147 | P | 51.8 | Low | 58.7 | Low | 94 Ų | 94 | 100.2 Ų | 100.2 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | trans | -58.9 | 123.1 | 172.2 | 23.4 | -29.7 | 0 | 0 | 0 | 107.7 | V149 | P147-V149 PolarHBondContact O-N 3.3Š| ||
| 148 | T | 50.9 | Low | 57.9 | Low | 128 Ų | 128 | 104.6 Ų | 104.6 | 79% | 0.785 | 56% | 0.559 | S | S | * | * | trans | -65.6 | 93 | 172.7 | -58.9 | 0 | 0 | 0 | 0 | 107.3 | A146 E150 | A146-T148 PolarHBondContact O-N 3.46Å; A146-T148 VanDerWaalsContact O-N 3.12Å; T148-E150 PolarHBondContact O-N 3.02Å | ||
| 149 | V | 52.2 | Low | 57.2 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | trans | -68.8 | 105.4 | 166.1 | -178.6 | 0 | 0 | 0 | 0 | 104.8 | P147 R151 | P147-V149 PolarHBondContact O-N 3.3Å; V149-R151 PolarHBondContact O-N 2.76Å | ||
| 150 | E | 46 | Very low | 56.4 | Low | 173 Ų | 173 | 104.8 Ų | 104.8 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | trans | -54.9 | 97.2 | 168 | -71.4 | -171.7 | 172.7 | 0 | 0 | 107.5 | T148 K152 | T148-E150 PolarHBondContact O-N 3.02Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 2.99Å | ||
| 151 | R | 48.3 | Very low | 55.5 | Low | 213 Ų | 213 | 110.3 Ų | 110.3 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | trans | -66.1 | 100.1 | 171 | -68.3 | -173 | -179.2 | -152 | 1.7 | 104.5 | V149 P153 | V149-R151 PolarHBondContact O-N 2.76Å; R151-P153 VanDerWaalsContact O-N 3.16Å | ||
| 152 | K | 39.6 | Very low | 54.9 | Low | 187 Ų | 187 | 118 Ų | 118 | 81% | 0.813 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 128.6 | 168.5 | -71.7 | -169.7 | 178.2 | -178.3 | 0 | 106.3 | E150 S154 | E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 2.99Å; K152-S154 PolarHBondContact O-N 2.98Å |
| 153 | P | 39.2 | Very low | 54.3 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -51 | 120.6 | -179.8 | 19.2 | -30.6 | 0 | 0 | 0 | 107.2 | R151 | R151-P153 VanDerWaalsContact O-N 3.16Š|
| 154 | S | 50.5 | Low | 53.6 | Low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -50 | 127.3 | 175.1 | 44.9 | 0 | 0 | 0 | 0 | 107 | K152 D156 | K152-S154 PolarHBondContact O-N 2.98Å; S154-D156 PolarHBondContact O-N 3.47Å |
| 155 | P | 49.9 | Very low | 52.8 | Low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.5 | -179 | 22.7 | -31.2 | 0 | 0 | 0 | 107.6 | L157 | P155-L157 PolarHBondContact O-N 3.31Å; P155-L157 VanDerWaalsContact O-N 3.11Å |
| 156 | D | 50.8 | Low | 52.3 | Low | 118 Ų | 118 | 134.9 Ų | 134.9 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 124.4 | -178.4 | -68.6 | -45.3 | 0 | 0 | 0 | 108.3 | S154 D158 T159 | S154-D156 PolarHBondContact O-N 3.47Å; D156-D158 PolarHBondContact O-N 3.1Å; D156-T159 WeakPolarHBondContact CB-OG1 3.41Å; D156-T159 WeakPolarHBondContact O-CB 3.49Å; D156-T159 PolarHBondContact O-N 2.85Å; D156-T159 PolarHBondContact O-OG1 2.79Å |
| 157 | L | 56.2 | Low | 52 | Low | 155 Ų | 155 | 137.4 Ų | 137.4 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -54.7 | -22.6 | -174.1 | -72.8 | 166.6 | 0 | 0 | 0 | 112 | P155 R161 | P155-L157 PolarHBondContact O-N 3.31Å; P155-L157 VanDerWaalsContact O-N 3.11Å; L157-R161 PolarHBondContact O-N 3.24Å |
| 158 | D | 55.2 | Low | 52 | Low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.1 | -31 | 174.5 | -75.8 | -38.2 | 0 | 0 | 0 | 114.4 | D156 R162 | D156-D158 PolarHBondContact O-N 3.1Å; D158-R162 WeakPolarHBondContact O-CB 3.25Å; D158-R162 PolarHBondContact O-N 3.06Å |
| 159 | T | 59.9 | Low | 51.8 | Low | 85 Ų | 85 | 145.5 Ų | 145.5 | 52% | 0.521 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -73 | -38.9 | 179.1 | -11.6 | 0 | 0 | 0 | 0 | 111.6 | D156 K163 | D156-T159 WeakPolarHBondContact CB-OG1 3.41Å; D156-T159 WeakPolarHBondContact O-CB 3.49Å; D156-T159 PolarHBondContact O-N 2.85Å; D156-T159 PolarHBondContact O-OG1 2.79Å; T159-K163 WeakPolarHBondContact O-CB 3.47Å; T159-K163 PolarHBondContact O-N 2.74Å |
| 160 | E | 55.6 | Low | 51.1 | Low | 102 Ų | 102 | 143.1 Ų | 143.1 | 48% | 0.477 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 175.9 | -111.2 | -114.5 | 158.4 | 0 | 0 | 111.4 | K163 K164 | E160-K163 PolarHBondContact O-N 2.82Å; E160-K164 PolarHBondContact O-N 2.8Å; E160-K164 VanDerWaalsContact O-N 3.07Å; E160-K164 IonicContact OE1-NZ 3.91Å; E160-K164 IonicContact OE2-NZ 2.74Å; E160-K164 PolarHBondContact OE2-NZ 2.88Å |
| 161 | R | 53.5 | Low | 51 | Low | 183 Ų | 183 | 140.9 Ų | 140.9 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 177.2 | -146.6 | 174.6 | -172.3 | -137.8 | 1.2 | 111.7 | L157 K163 K164 E165 | L157-R161 PolarHBondContact O-N 3.24Å; R161-K163 VanDerWaalsContact C-N 3.33Å; R161-K163 PolarHBondContact O-N 3.3Å; R161-K164 PolarHBondContact O-N 2.89Å; R161-E165 PolarHBondContact O-N 3.26Å |
| 162 | R | 55.7 | Low | 50.4 | Low | 174 Ų | 174 | 141 Ų | 141 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -63.8 | -33.4 | 173.7 | -86.3 | -177.3 | 166.2 | -146.8 | -1.8 | 113.4 | D158 R166 | D158-R162 WeakPolarHBondContact O-CB 3.25Å; D158-R162 PolarHBondContact O-N 3.06Å; R162-R166 WeakPolarHBondContact O-CB 3.28Å; R162-R166 WeakPolarHBondContact O-CG 3.31Å; R162-R166 PolarHBondContact O-N 3.5Å |
| 163 | K | 58 | Low | 50.3 | Low | 174 Ų | 174 | 142.7 Ų | 142.7 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71 | -39.3 | 176.9 | -142.8 | 174.3 | -174.2 | 179.6 | 0 | 111.5 | T159 E160 R161 A167 | T159-K163 WeakPolarHBondContact O-CB 3.47Å; T159-K163 PolarHBondContact O-N 2.74Å; E160-K163 PolarHBondContact O-N 2.82Å; R161-K163 VanDerWaalsContact C-N 3.33Å; R161-K163 PolarHBondContact O-N 3.3Å; K163-A167 PolarHBondContact O-N 3.43Å |
| 164 | K | 56.3 | Low | 50 | Low | 133 Ų | 133 | 146.3 Ų | 146.3 | 58% | 0.578 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.7 | -32.9 | 174.6 | -77.2 | 169.5 | 176.7 | 155.5 | 0 | 113.2 | E160 R161 | E160-K164 PolarHBondContact O-N 2.8Å; E160-K164 VanDerWaalsContact O-N 3.07Å; E160-K164 IonicContact OE1-NZ 3.91Å; E160-K164 IonicContact OE2-NZ 2.74Å; E160-K164 PolarHBondContact OE2-NZ 2.88Å; R161-K164 PolarHBondContact O-N 2.89Å |
| 165 | E | 52.7 | Low | 49.4 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 61% | 0.607 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -75.6 | -37.7 | 174.6 | -81.4 | -168.7 | 132.7 | 0 | 0 | 113.6 | R161 A167 K168 | R161-E165 PolarHBondContact O-N 3.26Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.45Å; E165-K168 PolarHBondContact O-N 2.82Å |
| 166 | R | 54.2 | Low | 48.7 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -66.2 | -31.2 | 176.1 | -79.5 | -178.1 | 172.1 | -133.9 | -0.1 | 112.7 | R162 K168 K169 | R162-R166 WeakPolarHBondContact O-CB 3.28Å; R162-R166 WeakPolarHBondContact O-CG 3.31Å; R162-R166 PolarHBondContact O-N 3.5Å; R166-K168 VanDerWaalsContact C-N 3.26Å; R166-K168 PolarHBondContact O-N 2.94Å; R166-K169 PolarHBondContact O-N 3.04Å |
| 167 | A | 55 | Low | 47.9 | Very low | 79 Ų | 79 | 156.2 Ų | 156.2 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -67.6 | -23.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K163 E165 | K163-A167 PolarHBondContact O-N 3.43Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.45Å |
| 168 | K | 52.5 | Low | 47.4 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -11 | 179.7 | -78.3 | -174.5 | 174.7 | -177.3 | 0 | 114.6 | E165 R166 | E165-K168 PolarHBondContact O-N 2.82Å; R166-K168 VanDerWaalsContact C-N 3.26Å; R166-K168 PolarHBondContact O-N 2.94Å |
| 169 | K | 47.3 | Very low | 46.7 | Very low | 201 Ų | 201 | 153.5 Ų | 153.5 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 10.3 | -175.1 | -91.3 | -177.4 | 175.1 | 178.1 | 0 | 115.5 | R166 | R166-K169 PolarHBondContact O-N 3.04Š|
| 170 | G | 37.6 | Very low | 45.6 | Very low | 59 Ų | 59 | 157.7 Ų | 157.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -143.7 | 47.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 171 | V | 43.7 | Very low | 44.8 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -147.2 | 94.1 | 158.6 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | R173 | V171-R173 HydrophobicContact CG1-CB 4.27Š| ||
| 172 | K | 36.1 | Very low | 44.5 | Very low | 215 Ų | 215 | 157.5 Ų | 157.5 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -101.3 | 84.4 | 157 | -162.4 | -176.8 | -170.8 | -175.6 | 0 | 106.1 | ||||
| 173 | R | 36.8 | Very low | 43.6 | Very low | 222 Ų | 222 | 157.1 Ų | 157.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -144.1 | 119.1 | 168.7 | -94.9 | -174.1 | 166.5 | 137.7 | -2.6 | 108.4 | V171 R175 | V171-R173 HydrophobicContact CG1-CB 4.27Å; R173-R175 PolarHBondContact O-N 3.32Å | ||
| 174 | E | 31.9 | Very low | 42.9 | Very low | 199 Ų | 199 | 154.8 Ų | 154.8 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -45.2 | 124.3 | 169.2 | -70.4 | 171.7 | 131.4 | 0 | 0 | 109.7 | ||||
| 175 | R | 39 | Very low | 42.4 | Very low | 240 Ų | 240 | 153.8 Ų | 153.8 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -120.5 | 102.6 | 159.2 | -90.1 | -178 | 167.2 | 178.5 | -4.4 | 106.2 | R173 | R173-R175 PolarHBondContact O-N 3.32Š| ||
| 176 | S | 34.1 | Very low | 42.2 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -43.7 | 131.6 | 166.9 | 46.4 | 0 | 0 | 0 | 0 | 111 | S178 | S176-S178 PolarHBondContact O-N 3.45Š| ||
| 177 | L | 35.5 | Very low | 41.7 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.9 | 168.6 | -112.6 | 72.3 | 0 | 0 | 0 | 110.3 | ||
| 178 | S | 44.4 | Very low | 41.1 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 131.9 | 154.3 | 18.4 | 0 | 0 | 0 | 0 | 108.7 | S176 L180 | S176-S178 PolarHBondContact O-N 3.45Å; S178-L180 PolarHBondContact O-N 3.32Å |
| 179 | P | 41.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 131.6 | 177.2 | -20.1 | 31.8 | 0 | 0 | 0 | 111.6 | L181 | P179-L181 PolarHBondContact O-N 2.91Š|
| 180 | L | 35.8 | Very low | 39.9 | Very low | 173 Ų | 173 | 153.4 Ų | 153.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -68.5 | 115.5 | 170.6 | -70.4 | 171.1 | 0 | 0 | 0 | 109 | S178 | S178-L180 PolarHBondContact O-N 3.32Š| ||
| 181 | L | 39.9 | Very low | 39.7 | Very low | 156 Ų | 156 | 162.8 Ų | 162.8 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73 | 137.3 | 165.2 | -70.5 | 172.6 | 0 | 0 | 0 | 109.2 | P179 L183 | P179-L181 PolarHBondContact O-N 2.91Å; L181-L183 PolarHBondContact O-N 3.27Å |
| 182 | P | 46.5 | Very low | 39.1 | Very low | 125 Ų | 125 | 167.6 Ų | 167.6 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.7 | 173.9 | -16.4 | 29.3 | 0 | 0 | 0 | 110.1 | ||
| 183 | L | 37.2 | Very low | 38.8 | Very low | 166 Ų | 166 | 166.6 Ų | 166.6 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 122.7 | 172.2 | -74.7 | 161.8 | 0 | 0 | 0 | 109.1 | L181 P185 | L181-L183 PolarHBondContact O-N 3.27Å; L183-P185 WeakPolarHBondContact O-CD 3.39Å |
| 184 | D | 43.7 | Very low | 38.8 | Very low | 125 Ų | 125 | 159.2 Ų | 159.2 | 67% | 0.668 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 123.1 | 175.2 | -111.6 | -38.9 | 0 | 0 | 0 | 110.9 | S186 Q187 | D184-S186 PolarHBondContact O-N 3.36Å; D184-Q187 PolarHBondContact O-N 2.84Å |
| 185 | P | 46.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 155.7 Ų | 155.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | G | 310 helix | trans | -61.4 | -6 | -178.9 | -25.8 | 35.2 | 0 | 0 | 0 | 115.8 | L183 | L183-P185 WeakPolarHBondContact O-CD 3.39Š|
| 186 | S | 46.6 | Very low | 38.9 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -85.4 | -5.5 | -176 | -46.2 | 0 | 0 | 0 | 0 | 114.8 | D184 | D184-S186 PolarHBondContact O-N 3.36Š|
| 187 | Q | 45.4 | Very low | 39.1 | Very low | 178 Ų | 178 | 151.7 Ų | 151.7 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -103.1 | 1.4 | -177.4 | -66.5 | -142.6 | 8.4 | 0 | 0 | 115.9 | D184 L189 | D184-Q187 PolarHBondContact O-N 2.84Å; Q187-L189 VanDerWaalsContact C-N 3.32Å |
| 188 | I | 41.6 | Very low | 39.4 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -84.8 | -6.8 | 178.8 | -69.3 | 168.4 | 0 | 0 | 0 | 112.4 | ||
| 189 | L | 34.9 | Very low | 39.6 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -116.6 | 65 | -173.4 | -150.7 | 80.4 | 0 | 0 | 0 | 112.6 | Q187 | Q187-L189 VanDerWaalsContact C-N 3.32Š|
| 190 | K | 39.8 | Very low | 40 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -154.6 | 20.9 | 166.5 | -117.2 | 171.2 | -169.9 | -179.3 | 0 | 116.3 | ||||
| 191 | R | 34.2 | Very low | 40.7 | Very low | 255 Ų | 255 | 144.1 Ų | 144.1 | 96% | 0.962 | 78% | 0.783 | S | S | * | * | trans | -114.5 | 63 | 174.8 | -125.4 | 178.4 | -170.7 | -156.8 | 2.3 | 112.1 | ||||
| 192 | R | 30.4 | Very low | 41.4 | Very low | 229 Ų | 229 | 142.3 Ų | 142.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -140.2 | 127.9 | 158.8 | -72.8 | -174.9 | 162.5 | -178.8 | -5.8 | 101.3 | ||||
| 193 | E | 29.1 | Very low | 41.5 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | cis | -161.5 | 151.1 | 40.3 | -63.1 | 175 | 155.2 | 0 | 0 | 108.3 | ||||
| 194 | G | 37.7 | Very low | 42.7 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -164.5 | 121 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 195 | P | 34 | Very low | 43.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 131.2 | -177.7 | 30.8 | -30.7 | 0 | 0 | 0 | 110.3 | ||
| 196 | A | 38.6 | Very low | 43.3 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 197 | Q | 38.8 | Very low | 43.7 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 138.4 | 174.3 | -69 | -76 | -22.4 | 0 | 0 | 110.4 | ||
| 198 | P | 41.2 | Very low | 44.2 | Very low | 101 Ų | 101 | 138 Ų | 138 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 148 | 179.4 | 34.2 | -31.5 | 0 | 0 | 0 | 112.6 | ||
| 199 | D | 48.7 | Very low | 45.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.5 | -173.4 | -60.7 | -46.6 | 0 | 0 | 0 | 114 | A201 K202 | D199-A201 PolarHBondContact O-N 3.38Å; D199-A201 VanDerWaalsContact O-N 3.09Å; D199-K202 PolarHBondContact O-N 2.88Å |
| 200 | P | 49.7 | Very low | 45.8 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.3 | -16.7 | -172.3 | 25.3 | -35.2 | 0 | 0 | 0 | 115.1 | ||
| 201 | A | 51.3 | Low | 46.5 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.9 | -23.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D199 | D199-A201 PolarHBondContact O-N 3.38Å; D199-A201 VanDerWaalsContact O-N 3.09Å |
| 202 | K | 53.6 | Low | 47.3 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -76.9 | -25.2 | 176.5 | -81.1 | -176.8 | 174.4 | 174.8 | 0 | 112.9 | D199 M206 | D199-K202 PolarHBondContact O-N 2.88Å; K202-M206 WeakPolarHBondContact O-CG 3.38Å; K202-M206 PolarHBondContact O-N 2.9Å |
| 203 | L | 49 | Very low | 47.8 | Very low | 96 Ų | 96 | 113.7 Ų | 113.7 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.3 | -43.1 | 179.1 | -122.7 | 92.4 | 0 | 0 | 0 | 111.8 | E205 M206 E207 | L203-E205 PolarHBondContact O-N 3.45Å; L203-M206 PolarHBondContact O-N 3.1Å; L203-E207 PolarHBondContact O-N 2.92Å |
| 204 | A | 61.8 | Low | 48.5 | Very low | 54 Ų | 54 | 110.3 Ų | 110.3 | 45% | 0.446 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.4 | -30.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 205 | E | 51.9 | Low | 48.7 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75 | -34.7 | 179.5 | -149.7 | 81.3 | -166.3 | 0 | 0 | 111.3 | L203 | L203-E205 PolarHBondContact O-N 3.45Å |
| 206 | M | 51.5 | Low | 49 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 49% | 0.488 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.8 | -35 | 177.8 | -72.7 | 177.3 | 63.9 | 0 | 0 | 112.4 | K202 L203 R208 V209 A210 | K202-M206 WeakPolarHBondContact O-CG 3.38Å; K202-M206 PolarHBondContact O-N 2.9Å; L203-M206 PolarHBondContact O-N 3.1Å; M206-R208 VanDerWaalsContact C-N 3.31Å; M206-R208 PolarHBondContact O-N 3.49Å; M206-V209 PolarHBondContact O-N 3.27Å; M206-A210 PolarHBondContact O-N 3.49Å; M206-A210 VanDerWaalsContact O-N 3.14Å |
| 207 | E | 53.6 | Low | 49.5 | Very low | 144 Ų | 144 | 110.8 Ų | 110.8 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.9 | -38.1 | 173.4 | -93.7 | -174.4 | 143 | 0 | 0 | 112.7 | L203 | L203-E207 PolarHBondContact O-N 2.92Å |
| 208 | R | 56.3 | Low | 49.7 | Very low | 195 Ų | 195 | 112.3 Ų | 112.3 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.6 | -33.6 | 178.6 | -76.1 | -175.7 | 168.7 | 173 | -2.1 | 113.4 | M206 | M206-R208 VanDerWaalsContact C-N 3.31Å; M206-R208 PolarHBondContact O-N 3.49Å |
| 209 | V | 60.2 | Low | 50.4 | Low | 90 Ų | 90 | 110 Ų | 110 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -80.5 | -32.9 | -177.5 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | M206 A211 V212 L213 | M206-V209 PolarHBondContact O-N 3.27Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 3.42Å; V209-V212 PolarHBondContact O-N 3.14Å; V209-L213 HydrophobicContact CG1-CD1 4.47Å |
| 210 | A | 51.1 | Low | 51.1 | Low | 70 Ų | 70 | 108.1 Ų | 108.1 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.7 | -31.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M206 V212 | M206-A210 PolarHBondContact O-N 3.49Å; M206-A210 VanDerWaalsContact O-N 3.14Å; A210-V212 PolarHBondContact O-N 3.31Å |
| 211 | A | 53.8 | Low | 51.9 | Low | 87 Ų | 87 | 108 Ų | 108 | 72% | 0.719 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -18.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V209 | V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 3.42Å |
| 212 | V | 51.2 | Low | 52.9 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -19.8 | -173.3 | 175.8 | 0 | 0 | 0 | 0 | 113 | V209 A210 | V209-V212 PolarHBondContact O-N 3.14Å; A210-V212 PolarHBondContact O-N 3.31Å |
| 213 | L | 40.6 | Very low | 53.9 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -96.9 | -3.9 | -161.5 | -91.1 | 161.6 | 0 | 0 | 0 | 117.4 | V209 | V209-L213 HydrophobicContact CG1-CD1 4.47Š|
| 214 | N | 44.1 | Very low | 54.5 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | trans | -148.7 | 96.7 | 174.7 | -72.2 | -57.1 | 0 | 0 | 0 | 113.7 | G216 | N214-G216 PolarHBondContact O-N 2.64Š| ||
| 215 | P | 42.1 | Very low | 54.6 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 87% | 0.87 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -81.5 | 110.3 | 162.9 | 31.1 | -27.6 | 0 | 0 | 0 | 109 | ||
| 216 | G | 40 | Very low | 55.6 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 137.3 | 11.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | N214 | N214-G216 PolarHBondContact O-N 2.64Š|
| 217 | T | 49.9 | Very low | 56.4 | Low | 93 Ų | 93 | 113.7 Ų | 113.7 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | trans | -129.3 | 107 | 168.6 | 35.5 | 0 | 0 | 0 | 0 | 109.5 | L219 | T217-L219 VanDerWaalsContact C-N 3.34Å; T217-L219 PolarHBondContact O-N 3.29Å | ||
| 218 | E | 42.8 | Very low | 56.9 | Low | 203 Ų | 203 | 110.8 Ų | 110.8 | 95% | 0.949 | 61% | 0.611 | S | S | * | * | trans | -66.5 | 98.8 | 166.2 | -74.6 | -175.8 | 167.7 | 0 | 0 | 107.3 | ||||
| 219 | L | 55.5 | Low | 57.7 | Low | 52 Ų | 52 | 106.4 Ų | 106.4 | 27% | 0.272 | 60% | 0.599 | S | S | . | * | trans | -87.7 | 135.5 | 171.6 | -71.8 | 146.4 | 0 | 0 | 0 | 107.6 | T217 Q223 L224 R227 | T217-L219 VanDerWaalsContact C-N 3.34Å; T217-L219 PolarHBondContact O-N 3.29Å; L219-Q223 HydrophobicContact CB-CB 4.17Å; L219-Q223 HydrophobicContact CD2-CB 3.78Å; L219-L224 HydrophobicContact CB-CD1 4.37Å; L219-L224 HydrophobicContact CB-CG 4.02Å; L219-R227 VanDerWaalsContact CD2-NH1 3.33Å | ||
| 220 | T | 62.2 | Low | 58.1 | Low | 78 Ų | 78 | 105 Ų | 105 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | trans | -64.3 | 155.4 | 172 | 60.2 | 0 | 0 | 0 | 0 | 109.8 | E222 Q223 L224 | T220-E222 PolarHBondContact O-N 2.73Å; T220-Q223 PolarHBondContact O-N 2.94Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.45Å; T220-Q223 PolarHBondContact OG1-OE1 3.26Å; T220-L224 PolarHBondContact O-N 2.94Å | ||
| 221 | V | 67.2 | Low | 58.3 | Low | 110 Ų | 110 | 105.3 Ų | 105.3 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -52.1 | -34.7 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | N225 | V221-N225 WeakPolarHBondContact O-CB 3.49Å; V221-N225 PolarHBondContact O-N 3.29Å |
| 222 | E | 73.4 | Confident | 58.4 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 72% | 0.72 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.3 | -43.8 | 176.5 | -62.8 | 176.7 | 172.4 | 0 | 0 | 112.6 | T220 L224 N225 E226 | T220-E222 PolarHBondContact O-N 2.73Å; E222-L224 VanDerWaalsContact C-N 3.33Å; E222-L224 PolarHBondContact O-N 3.2Å; E222-N225 PolarHBondContact O-N 2.78Å; E222-E226 PolarHBondContact O-N 3.49Å |
| 223 | Q | 72.8 | Confident | 59 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.4 | -31.9 | 177.7 | -70 | 173.7 | -27.1 | 0 | 0 | 112.5 | L219 T220 R227 | L219-Q223 HydrophobicContact CB-CB 4.17Å; L219-Q223 HydrophobicContact CD2-CB 3.78Å; T220-Q223 PolarHBondContact O-N 2.94Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.45Å; T220-Q223 PolarHBondContact OG1-OE1 3.26Å; Q223-R227 WeakPolarHBondContact O-CB 3.36Å; Q223-R227 PolarHBondContact O-N 2.81Å |
| 224 | L | 62.6 | Low | 59.4 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 44% | 0.435 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -46 | 170.1 | -89 | 157.7 | 0 | 0 | 0 | 110.8 | L219 T220 E222 R227 I228 | L219-L224 HydrophobicContact CB-CD1 4.37Å; L219-L224 HydrophobicContact CB-CG 4.02Å; T220-L224 PolarHBondContact O-N 2.94Å; E222-L224 VanDerWaalsContact C-N 3.33Å; E222-L224 PolarHBondContact O-N 3.2Å; L224-R227 PolarHBondContact O-N 3.09Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 3.41Å |
| 225 | N | 63.7 | Low | 59.6 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63 | -43.8 | 178.1 | -82.6 | -7.7 | 0 | 0 | 0 | 112.6 | V221 E222 R227 I228 E229 | V221-N225 WeakPolarHBondContact O-CB 3.49Å; V221-N225 PolarHBondContact O-N 3.29Å; E222-N225 PolarHBondContact O-N 2.78Å; N225-R227 VanDerWaalsContact C-N 3.29Å; N225-R227 PolarHBondContact O-N 2.95Å; N225-I228 PolarHBondContact O-N 3.39Å; N225-E229 WeakPolarHBondContact O-CB 3.44Å; N225-E229 PolarHBondContact O-N 3.45Å |
| 226 | E | 73.9 | Confident | 59.4 | Low | 138 Ų | 138 | 110.9 Ų | 110.9 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61 | -37.6 | 173.9 | -83.8 | -170.9 | 146.2 | 0 | 0 | 112.3 | E222 E229 A230 | E222-E226 PolarHBondContact O-N 3.49Å; E226-E229 PolarHBondContact O-N 3.47Å; E226-A230 VanDerWaalsContact O-CB 3.25Å; E226-A230 WeakPolarHBondContact O-CB 3.43Å; E226-A230 PolarHBondContact O-N 3.29Å |
| 227 | R | 67.9 | Low | 59.3 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 49% | 0.494 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.5 | -38.4 | 177.5 | -110.8 | 166 | 162.8 | 161.1 | -6.1 | 112.5 | L219 Q223 L224 N225 L231 | L219-R227 VanDerWaalsContact CD2-NH1 3.33Å; Q223-R227 WeakPolarHBondContact O-CB 3.36Å; Q223-R227 PolarHBondContact O-N 2.81Å; L224-R227 PolarHBondContact O-N 3.09Å; N225-R227 VanDerWaalsContact C-N 3.29Å; N225-R227 PolarHBondContact O-N 2.95Å; R227-L231 VanDerWaalsContact O-CB 3.31Å; R227-L231 WeakPolarHBondContact O-CB 3.22Å; R227-L231 WeakPolarHBondContact O-CD1 3.37Å; R227-L231 VanDerWaalsContact O-CG 3.28Å; R227-L231 WeakPolarHBondContact O-CG 3.3Å; R227-L231 PolarHBondContact O-N 3.38Å |
| 228 | I | 63.7 | Low | 59.1 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -47.2 | 173.4 | -69.6 | 164.4 | 0 | 0 | 0 | 109.4 | L224 N225 A230 L231 E232 | L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 3.41Å; N225-I228 PolarHBondContact O-N 3.39Å; I228-A230 VanDerWaalsContact C-N 3.32Å; I228-A230 PolarHBondContact O-N 2.95Å; I228-L231 PolarHBondContact O-N 3.05Å; I228-L231 VanDerWaalsContact O-N 3.1Å; I228-E232 WeakPolarHBondContact O-CG 3.28Å; I228-E232 PolarHBondContact O-N 3.33Å |
| 229 | E | 72.3 | Confident | 59.2 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 49% | 0.486 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -35.4 | 179.6 | -152.8 | -172.8 | 170.4 | 0 | 0 | 112.3 | N225 E226 K233 | N225-E229 WeakPolarHBondContact O-CB 3.44Å; N225-E229 PolarHBondContact O-N 3.45Å; E226-E229 PolarHBondContact O-N 3.47Å; E229-K233 WeakPolarHBondContact O-CG 3.26Å; E229-K233 PolarHBondContact O-N 3.32Å; E229-K233 VanDerWaalsContact O-N 3.11Å; E229-K233 IonicContact OE1-NZ 2.73Å |
| 230 | A | 69.5 | Low | 58.6 | Low | 60 Ų | 60 | 113.4 Ų | 113.4 | 50% | 0.496 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.8 | -33.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | E226 I228 K234 | E226-A230 VanDerWaalsContact O-CB 3.25Å; E226-A230 WeakPolarHBondContact O-CB 3.43Å; E226-A230 PolarHBondContact O-N 3.29Å; I228-A230 VanDerWaalsContact C-N 3.32Å; I228-A230 PolarHBondContact O-N 2.95Å; A230-K234 PolarHBondContact O-N 3.39Å |
| 231 | L | 55.9 | Low | 57.8 | Low | 77 Ų | 77 | 119.1 Ų | 119.1 | 40% | 0.403 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.5 | -35.8 | 175.3 | -81.9 | 164.7 | 0 | 0 | 0 | 112 | R227 I228 K234 | R227-L231 VanDerWaalsContact O-CB 3.31Å; R227-L231 WeakPolarHBondContact O-CB 3.22Å; R227-L231 WeakPolarHBondContact O-CD1 3.37Å; R227-L231 VanDerWaalsContact O-CG 3.28Å; R227-L231 WeakPolarHBondContact O-CG 3.3Å; R227-L231 PolarHBondContact O-N 3.38Å; I228-L231 PolarHBondContact O-N 3.05Å; I228-L231 VanDerWaalsContact O-N 3.1Å; L231-K234 VanDerWaalsContact O-CB 3.3Å; L231-K234 WeakPolarHBondContact O-CB 3.28Å; L231-K234 PolarHBondContact O-N 3.28Å; L231-K234 VanDerWaalsContact O-N 3.15Å |
| 232 | E | 56 | Low | 56.8 | Low | 118 Ų | 118 | 118.7 Ų | 118.7 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.3 | -36.4 | 174.9 | -77.6 | -172.7 | 151.4 | 0 | 0 | 112.6 | I228 K234 | I228-E232 WeakPolarHBondContact O-CG 3.28Å; I228-E232 PolarHBondContact O-N 3.33Å; E232-K234 PolarHBondContact O-N 2.92Å |
| 233 | K | 63.8 | Low | 55.4 | Low | 166 Ų | 166 | 116.8 Ų | 116.8 | 72% | 0.722 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -66.5 | -16.7 | 170.7 | -78.9 | 173.7 | -176.4 | 158.2 | 0 | 112.8 | E229 S235 | E229-K233 WeakPolarHBondContact O-CG 3.26Å; E229-K233 PolarHBondContact O-N 3.32Å; E229-K233 VanDerWaalsContact O-N 3.11Å; E229-K233 IonicContact OE1-NZ 2.73Å; K233-S235 PolarHBondContact O-N 3.16Å |
| 234 | K | 48.3 | Very low | 54.1 | Low | 135 Ų | 135 | 116.7 Ų | 116.7 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -85.1 | 99.7 | 176.5 | -142.8 | 173.7 | -173.4 | 179.2 | 0 | 108.7 | A230 L231 E232 W236 | A230-K234 PolarHBondContact O-N 3.39Å; L231-K234 VanDerWaalsContact O-CB 3.3Å; L231-K234 WeakPolarHBondContact O-CB 3.28Å; L231-K234 PolarHBondContact O-N 3.28Å; L231-K234 VanDerWaalsContact O-N 3.15Å; E232-K234 PolarHBondContact O-N 2.92Å; K234-W236 PolarHBondContact O-N 3.37Å; K234-W236 PolarHBondContact O-NE1 3.2Å |
| 235 | S | 47.3 | Very low | 53.3 | Low | 118 Ų | 118 | 121.1 Ų | 121.1 | 83% | 0.825 | 59% | 0.593 | S | S | * | * | trans | -59.6 | 110.2 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | K233 | K233-S235 PolarHBondContact O-N 3.16Š| ||
| 236 | W | 38.2 | Very low | 52.3 | Low | 165 Ų | 165 | 121.1 Ų | 121.1 | 63% | 0.625 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 134.4 | 169.9 | -65.8 | 85.2 | 0 | 0 | 0 | 109.3 | K234 V238 | K234-W236 PolarHBondContact O-N 3.37Å; K234-W236 PolarHBondContact O-NE1 3.2Å; W236-V238 PolarHBondContact O-N 3.19Å |
| 237 | P | 37.9 | Very low | 51.1 | Low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128.2 | 178.7 | 25.7 | -31.3 | 0 | 0 | 0 | 109.6 | F239 | P237-F239 PolarHBondContact O-N 2.91Š|
| 238 | V | 46.9 | Very low | 50 | Low | 108 Ų | 108 | 122.1 Ų | 122.1 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 126.4 | 171.2 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | W236 D240 | W236-V238 PolarHBondContact O-N 3.19Å; V238-D240 PolarHBondContact O-N 3.48Å |
| 239 | F | 43.9 | Very low | 49.2 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 77% | 0.768 | 61% | 0.606 | S | S | * | * | trans | -65.1 | 99.4 | 177.9 | -173 | -100.4 | 0 | 0 | 0 | 109.4 | P237 R241 | P237-F239 PolarHBondContact O-N 2.91Å; F239-R241 PolarHBondContact O-N 3.3Å | ||
| 240 | D | 43.7 | Very low | 47.9 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 38% | 0.38 | 59% | 0.592 | S | S | . | * | trans | -83.5 | 107.8 | -177.1 | -172.3 | -8.3 | 0 | 0 | 0 | 109.3 | V238 T242 K243 | V238-D240 PolarHBondContact O-N 3.48Å; D240-T242 PolarHBondContact O-N 3.36Å; D240-T242 VanDerWaalsContact O-N 3.08Å; D240-T242 WeakPolarHBondContact OD1-CB 3.3Å; D240-T242 PolarHBondContact OD1-N 2.84Å; D240-T242 PolarHBondContact OD1-OG1 3.4Å; D240-T242 PolarHBondContact OD2-OG1 3.31Å; D240-T242 VanDerWaalsContact OD2-OG1 3.1Å; D240-K243 HydrophobicContact CB-CD 4.33Å; D240-K243 HydrophobicContact CB-CG 4.03Å; D240-K243 WeakPolarHBondContact O-CB 3.44Å; D240-K243 PolarHBondContact O-N 3.04Å | ||
| 241 | R | 43.9 | Very low | 46.6 | Very low | 198 Ų | 198 | 118.7 Ų | 118.7 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -58.3 | -20.7 | 176.6 | -65.5 | -172.4 | -146.8 | -166.1 | 5 | 112.2 | F239 K243 L244 | F239-R241 PolarHBondContact O-N 3.3Å; R241-K243 PolarHBondContact O-N 3.27Å; R241-L244 HydrophobicContact CB-CD1 4.26Å; R241-L244 VanDerWaalsContact O-CB 3.31Å; R241-L244 WeakPolarHBondContact O-CB 3.29Å; R241-L244 VanDerWaalsContact O-CD1 3.3Å; R241-L244 WeakPolarHBondContact O-CD1 3.47Å; R241-L244 WeakPolarHBondContact O-CG 3.07Å; R241-L244 PolarHBondContact O-N 3.39Å |
| 242 | T | 46.6 | Very low | 46 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 62% | 0.62 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -72 | -18.9 | 176.9 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | D240 L244 | D240-T242 PolarHBondContact O-N 3.36Å; D240-T242 VanDerWaalsContact O-N 3.08Å; D240-T242 WeakPolarHBondContact OD1-CB 3.3Å; D240-T242 PolarHBondContact OD1-N 2.84Å; D240-T242 PolarHBondContact OD1-OG1 3.4Å; D240-T242 PolarHBondContact OD2-OG1 3.31Å; D240-T242 VanDerWaalsContact OD2-OG1 3.1Å; T242-L244 PolarHBondContact O-N 3.08Å |
| 243 | K | 43.7 | Very low | 45.6 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 50% | 0.496 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -79.2 | -0.2 | 173.6 | -63.5 | -166 | 178.5 | -166.3 | 0 | 114.4 | D240 R241 K245 D246 | D240-K243 HydrophobicContact CB-CD 4.33Å; D240-K243 HydrophobicContact CB-CG 4.03Å; D240-K243 WeakPolarHBondContact O-CB 3.44Å; D240-K243 PolarHBondContact O-N 3.04Å; R241-K243 PolarHBondContact O-N 3.27Å; K243-K245 PolarHBondContact O-N 2.79Å; K243-D246 PolarHBondContact O-N 2.84Å |
| 244 | L | 47 | Very low | 44.6 | Very low | 89 Ų | 89 | 112.2 Ų | 112.2 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -56.2 | -15.2 | 167.9 | -81.6 | 162.4 | 0 | 0 | 0 | 113.2 | R241 T242 F250 | R241-L244 HydrophobicContact CB-CD1 4.26Å; R241-L244 VanDerWaalsContact O-CB 3.31Å; R241-L244 WeakPolarHBondContact O-CB 3.29Å; R241-L244 VanDerWaalsContact O-CD1 3.3Å; R241-L244 WeakPolarHBondContact O-CD1 3.47Å; R241-L244 WeakPolarHBondContact O-CG 3.07Å; R241-L244 PolarHBondContact O-N 3.39Å; T242-L244 PolarHBondContact O-N 3.08Å; L244-F250 HydrophobicContact CD2-CD2 4.25Å; L244-F250 HydrophobicContact CD2-CE2 3.5Å; L244-F250 VanDerWaalsContact CD2-CE2 3.5Å; L244-F250 HydrophobicContact CD2-CZ 4.35Å |
| 245 | K | 46.2 | Very low | 44.3 | Very low | 176 Ų | 176 | 107.5 Ų | 107.5 | 77% | 0.765 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -83.8 | -18.3 | 176.7 | -68.2 | -178.2 | 177.6 | 179.8 | 0 | 114.2 | K243 E247 | K243-K245 PolarHBondContact O-N 2.79Å; K245-E247 PolarHBondContact O-N 3.16Å |
| 246 | D | 41.2 | Very low | 44.3 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | trans | -90.9 | 107.8 | -175.4 | -60.5 | -27.7 | 0 | 0 | 0 | 109.9 | K243 E248 T249 | K243-D246 PolarHBondContact O-N 2.84Å; D246-E248 PolarHBondContact O-N 3.08Å; D246-T249 PolarHBondContact O-N 3.1Å; D246-T249 PolarHBondContact O-OG1 3.24Å | ||
| 247 | E | 49.2 | Very low | 44.8 | Very low | 138 Ų | 138 | 109.9 Ų | 109.9 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.4 | -166.9 | -62.9 | -160.9 | 140.8 | 0 | 0 | 115.3 | R97 K245 | R97-E247 IonicContact NH2-OE1 3.67Å; R97-E247 PolarHBondContact NH2-OE1 3.46Å; K245-E247 PolarHBondContact O-N 3.16Å |
| 248 | E | 44.1 | Very low | 45 | Very low | 151 Ų | 151 | 115.4 Ų | 115.4 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -25.5 | -173.3 | -67 | -169.5 | 154.9 | 0 | 0 | 114.6 | D246 F250 | D246-E248 PolarHBondContact O-N 3.08Å; E248-F250 VanDerWaalsContact C-N 3.32Å |
| 249 | T | 48.7 | Very low | 44.9 | Very low | 78 Ų | 78 | 115.8 Ų | 115.8 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -18 | 179.8 | 40.5 | 0 | 0 | 0 | 0 | 113.2 | D246 L251 R256 | D246-T249 PolarHBondContact O-N 3.1Å; D246-T249 PolarHBondContact O-OG1 3.24Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.39Å; T249-R256 PolarHBondContact O-NH2 3.07Å |
| 250 | F | 44.6 | Very low | 45 | Very low | 45 Ų | 45 | 112.7 Ų | 112.7 | 20% | 0.197 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18 | -179 | -130.6 | -110.3 | 0 | 0 | 0 | 113.1 | R97 L101 L244 E248 P252 | R97-F250 HydrophobicContact CB-CD1 3.96Å; R97-F250 HydrophobicContact CB-CE1 3.61Å; L101-F250 HydrophobicContact CD1-CD1 3.35Å; L101-F250 HydrophobicContact CD1-CD2 4.45Å; L101-F250 HydrophobicContact CD1-CE1 3.17Å; L101-F250 HydrophobicContact CD1-CE2 4.29Å; L101-F250 HydrophobicContact CD1-CG 4.01Å; L101-F250 HydrophobicContact CD1-CZ 3.7Å; L101-F250 HydrophobicContact CD2-CD1 4.13Å; L101-F250 WeakPolarHBondContact CD2-O 3.28Å; L101-F250 HydrophobicContact CG-CD1 3.77Å; L101-F250 HydrophobicContact CG-CE1 3.7Å; L244-F250 HydrophobicContact CD2-CD2 4.25Å; L244-F250 HydrophobicContact CD2-CE2 3.5Å; L244-F250 VanDerWaalsContact CD2-CE2 3.5Å; L244-F250 HydrophobicContact CD2-CZ 4.35Å; E248-F250 VanDerWaalsContact C-N 3.32Å; F250-P252 WeakPolarHBondContact O-CD 3.44Å |
| 251 | L | 42.3 | Very low | 45 | Very low | 52 Ų | 52 | 115 Ų | 115 | 27% | 0.272 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -66.6 | 126.7 | -178 | -76.2 | 179.9 | 0 | 0 | 0 | 110.6 | T249 Y255 R256 | T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.39Å; L251-Y255 WeakPolarHBondContact CD1-O 3.14Å; L251-Y255 HydrophobicContact CD2-CG 4.32Å; L251-R256 HydrophobicContact CB-CG 4.2Å; L251-R256 PolarHBondContact O-NE 3.46Å; L251-R256 VanDerWaalsContact O-NE 3.12Å |
| 252 | P | 42.7 | Very low | 45.1 | Very low | 12 Ų | 12 | 110.1 Ų | 110.1 | 8% | 0.078 | 54% | 0.536 | C | S | . | . | trans | -48.6 | 151.6 | 171.3 | -22.6 | 27 | 0 | 0 | 0 | 110 | L101 F250 R254 Y255 | L101-P252 HydrophobicContact CD2-CG 3.75Å; F250-P252 WeakPolarHBondContact O-CD 3.44Å; P252-R254 HydrophobicContact CB-CG 4.12Å; P252-R254 PolarHBondContact O-N 2.98Å; P252-Y255 HydrophobicContact CB-CD2 3.77Å; P252-Y255 HydrophobicContact CB-CE2 4.25Å; P252-Y255 VanDerWaalsContact CD-CD2 3.45Å; P252-Y255 HydrophobicContact CG-CD2 3.56Å; P252-Y255 HydrophobicContact CG-CE2 3.8Å; P252-Y255 WeakPolarHBondContact O-CA 3.19Å; P252-Y255 PolarHBondContact O-N 3.49Å | ||
| 253 | A | 47.3 | Very low | 45 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -49.3 | -28.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y255 | A253-Y255 VanDerWaalsContact C-N 3.29Å; A253-Y255 PolarHBondContact O-N 2.94Å |
| 254 | R | 42.8 | Very low | 45.1 | Very low | 124 Ų | 124 | 110.5 Ų | 110.5 | 47% | 0.468 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -69.2 | -15.6 | 175.5 | 13.6 | 177.5 | 174.5 | 178.8 | 0.2 | 115.2 | L25 D104 N105 P252 | L25-R254 WeakPolarHBondContact CD1-O 3.35Å; D104-R254 PolarHBondContact O-NH1 3.42Å; D104-R254 PolarHBondContact O-NH2 2.86Å; N105-R254 PolarHBondContact OD1-NH2 2.85Å; P252-R254 HydrophobicContact CB-CG 4.12Å; P252-R254 PolarHBondContact O-N 2.98Å |
| 255 | Y | 42.6 | Very low | 45 | Very low | 36 Ų | 36 | 112 Ų | 112 | 14% | 0.141 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -113 | -2.9 | -179.2 | -63.6 | -76.5 | 0 | 0 | 0 | 112.9 | L25 A30 D104 L251 P252 A253 | L25-Y255 HydrophobicContact CD1-CD1 3.41Å; L25-Y255 VanDerWaalsContact CD1-CD1 3.41Å; L25-Y255 HydrophobicContact CD1-CE1 3.44Å; L25-Y255 VanDerWaalsContact CD1-CE1 3.44Å; L25-Y255 HydrophobicContact CD1-CG 4.25Å; A30-Y255 HydrophobicContact CB-CD1 3.43Å; A30-Y255 VanDerWaalsContact CB-CD1 3.43Å; A30-Y255 HydrophobicContact CB-CE1 3.25Å; D104-Y255 WeakPolarHBondContact OD2-CE2 3.2Å; D104-Y255 PolarHBondContact OD2-OH 2.8Å; L251-Y255 WeakPolarHBondContact CD1-O 3.14Å; L251-Y255 HydrophobicContact CD2-CG 4.32Å; P252-Y255 HydrophobicContact CB-CD2 3.77Å; P252-Y255 HydrophobicContact CB-CE2 4.25Å; P252-Y255 VanDerWaalsContact CD-CD2 3.45Å; P252-Y255 HydrophobicContact CG-CD2 3.56Å; P252-Y255 HydrophobicContact CG-CE2 3.8Å; P252-Y255 WeakPolarHBondContact O-CA 3.19Å; P252-Y255 PolarHBondContact O-N 3.49Å; A253-Y255 VanDerWaalsContact C-N 3.29Å; A253-Y255 PolarHBondContact O-N 2.94Å |
| 256 | R | 46.2 | Very low | 44.9 | Very low | 142 Ų | 142 | 107.1 Ų | 107.1 | 54% | 0.536 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -83.8 | 124.7 | 169.9 | -67.1 | -174.3 | -162.8 | 165.5 | 0.6 | 108.4 | T249 L251 | T249-R256 PolarHBondContact O-NH2 3.07Å; L251-R256 HydrophobicContact CB-CG 4.2Å; L251-R256 PolarHBondContact O-NE 3.46Å; L251-R256 VanDerWaalsContact O-NE 3.12Å |
| 257 | R | 48.4 | Very low | 45.2 | Very low | 191 Ų | 191 | 107.9 Ų | 107.9 | 72% | 0.721 | 52% | 0.52 | S | S | * | . | trans | -60.2 | 136.3 | 175.6 | -69.2 | -174.5 | -166.7 | 144.7 | -7.4 | 109.6 | E31 | E31-R257 VanDerWaalsContact CD-NH2 3.25Å; E31-R257 IonicContact OE1-CZ 3.43Å; E31-R257 VanDerWaalsContact OE1-CZ 3.23Å; E31-R257 IonicContact OE1-NE 3.23Å; E31-R257 PolarHBondContact OE1-NE 2.99Å; E31-R257 VanDerWaalsContact OE1-NE 3.12Å; E31-R257 IonicContact OE1-NH2 3.28Å; E31-R257 PolarHBondContact OE1-NH2 3.47Å; E31-R257 IonicContact OE2-NH2 2.62Å; E31-R257 PolarHBondContact OE2-NH2 3Å | ||
| 258 | N | 42.9 | Very low | 44.8 | Very low | 238 Ų | 238 | 105.2 Ų | 105.2 | 100% | 1.273 | 51% | 0.509 | S | S | * | . | trans | -63.5 | 0 | 166.9 | -89.2 | -8.2 | 0 | 0 | 0 | 111.3 |
Retrieved 258 of 258 residues in 115.7 ms
(Link to these results)