| 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 | 52.2 | Low | 86.2 | Confident | 167 Ų | 167 | 73.4 Ų | 73.4 | 82% | 0.823 | 38% | 0.384 | S | S | * | . | 0 | 125.7 | 0 | -82.2 | -170.8 | -87.5 | 0 | 0 | 106.8 | L56 | M1-L56 HydrophobicContact SD-CD1 4.46Š| |||
| 2 | E | 73.3 | Confident | 87 | Confident | 119 Ų | 119 | 67.3 Ų | 67.3 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | trans | -53.5 | 143.7 | 173.3 | -85.3 | 171.9 | 139.2 | 0 | 0 | 110.3 | A4 H5 T6 | E2-A4 PolarHBondContact O-N 3.49Å; E2-A4 VanDerWaalsContact O-N 3.12Å; E2-H5 WeakPolarHBondContact O-CB 3.35Å; E2-H5 PolarHBondContact O-N 2.74Å; E2-H5 IonicContact OE2-CE1 3.91Å; E2-T6 PolarHBondContact O-N 2.91Å | ||
| 3 | Q | 83 | Confident | 87.7 | Confident | 172 Ų | 172 | 66.3 Ų | 66.3 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.1 | -35.7 | -176.1 | -151.7 | 171.4 | -0.2 | 0 | 0 | 111.9 | H5 T6 Q7 | Q3-H5 PolarHBondContact O-N 2.67Å; Q3-T6 PolarHBondContact O-N 2.85Å; Q3-Q7 PolarHBondContact O-N 3.18Å; Q3-Q7 VanDerWaalsContact O-N 3.16Å |
| 4 | A | 86.3 | Confident | 88.2 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.5 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E2 Q7 L8 V40 L41 | E2-A4 PolarHBondContact O-N 3.49Å; E2-A4 VanDerWaalsContact O-N 3.12Å; A4-Q7 PolarHBondContact O-N 3.23Å; A4-L8 WeakPolarHBondContact O-CB 3.44Å; A4-L8 PolarHBondContact O-N 3.17Å; A4-V40 WeakPolarHBondContact CB-O 3.48Å; A4-L41 HydrophobicContact CB-CD2 4.36Å |
| 5 | H | 90.9 | Very high | 88.6 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 9% | 0.088 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | -179.5 | -67 | 169.8 | 0 | 0 | 0 | 111.7 | E2 Q3 Q7 L8 I9 I46 P48 | E2-H5 WeakPolarHBondContact O-CB 3.35Å; E2-H5 PolarHBondContact O-N 2.74Å; E2-H5 IonicContact OE2-CE1 3.91Å; Q3-H5 PolarHBondContact O-N 2.67Å; H5-Q7 VanDerWaalsContact C-N 3.27Å; H5-Q7 PolarHBondContact O-N 3.04Å; H5-L8 PolarHBondContact O-N 3.03Å; H5-I9 VanDerWaalsContact O-CG1 3.25Å; H5-I9 WeakPolarHBondContact O-CG1 3.31Å; H5-I9 PolarHBondContact O-N 3.03Å; H5-I46 PolarHBondContact CE1-O 3.23Å; H5-I46 PolarHBondContact NE2-O 2.98Å; H5-P48 HydrophobicContact CB-CG 4.47Å |
| 6 | T | 91.6 | Very high | 88.8 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.6 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | E2 Q3 I9 A10 | E2-T6 PolarHBondContact O-N 2.91Å; Q3-T6 PolarHBondContact O-N 2.85Å; T6-I9 PolarHBondContact O-N 2.87Å; T6-A10 PolarHBondContact O-N 3.3Å; T6-A10 VanDerWaalsContact O-N 3.11Å |
| 7 | Q | 92.8 | Very high | 89 | Confident | 101 Ų | 101 | 74.1 Ų | 74.1 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 178.7 | -165.6 | 169.4 | 0.3 | 0 | 0 | 112.2 | Q3 A4 H5 I9 A10 Q11 V40 | Q3-Q7 PolarHBondContact O-N 3.18Å; Q3-Q7 VanDerWaalsContact O-N 3.16Å; A4-Q7 PolarHBondContact O-N 3.23Å; H5-Q7 VanDerWaalsContact C-N 3.27Å; H5-Q7 PolarHBondContact O-N 3.04Å; Q7-I9 PolarHBondContact O-N 2.99Å; Q7-A10 PolarHBondContact O-N 3.43Å; Q7-Q11 WeakPolarHBondContact O-CG 3.44Å; Q7-Q11 PolarHBondContact O-N 3.32Å; Q7-V40 HydrophobicContact CB-CG1 3.86Å; Q7-V40 HydrophobicContact CG-CG1 3.93Å; Q7-V40 HydrophobicContact CG-CG2 4.32Å |
| 8 | L | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 173.8 | 174.7 | 66 | 0 | 0 | 0 | 111.8 | A4 H5 A10 Q11 L12 T31 V32 A35 L41 L47 | A4-L8 WeakPolarHBondContact O-CB 3.44Å; A4-L8 PolarHBondContact O-N 3.17Å; H5-L8 PolarHBondContact O-N 3.03Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.4Å; L8-Q11 PolarHBondContact O-N 3.11Å; L8-L12 HydrophobicContact CD1-CD1 4.13Å; L8-L12 HydrophobicContact CD1-CG 4.27Å; L8-L12 HydrophobicContact CD2-CD1 4.43Å; L8-L12 HydrophobicContact CG-CD1 3.89Å; L8-L12 HydrophobicContact CG-CG 4.46Å; L8-L12 WeakPolarHBondContact O-CB 3.2Å; L8-L12 WeakPolarHBondContact O-CG 3.21Å; L8-L12 PolarHBondContact O-N 2.81Å; L8-T31 HydrophobicContact CD1-CG2 4.42Å; L8-V32 HydrophobicContact CD1-CG2 4.16Å; L8-A35 HydrophobicContact CD1-CB 3.79Å; L8-L41 HydrophobicContact CD1-CD1 4.05Å; L8-L41 HydrophobicContact CD2-CD1 3.96Å; L8-L41 HydrophobicContact CD2-CD2 4.38Å; L8-L41 HydrophobicContact CG-CD1 4.48Å; L8-L47 HydrophobicContact CD2-CD2 3.62Å |
| 9 | I | 95.7 | Very high | 88.8 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 9% | 0.092 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | -179.6 | -66.2 | -61.1 | 0 | 0 | 0 | 111 | H5 T6 Q7 L12 N13 L53 L56 T57 | H5-I9 VanDerWaalsContact O-CG1 3.25Å; H5-I9 WeakPolarHBondContact O-CG1 3.31Å; H5-I9 PolarHBondContact O-N 3.03Å; T6-I9 PolarHBondContact O-N 2.87Å; Q7-I9 PolarHBondContact O-N 2.99Å; I9-L12 HydrophobicContact CD1-CD1 4.27Å; I9-L12 PolarHBondContact O-N 3.29Å; I9-N13 WeakPolarHBondContact O-CB 3.27Å; I9-N13 PolarHBondContact O-N 2.99Å; I9-N13 PolarHBondContact O-ND2 2.94Å; I9-L53 HydrophobicContact CD1-CD2 3.87Å; I9-L56 HydrophobicContact CD1-CB 3.84Å; I9-L56 HydrophobicContact CD1-CD1 3.98Å; I9-L56 HydrophobicContact CG1-CB 4.33Å; I9-L56 HydrophobicContact CG1-CD1 4.14Å; I9-L56 HydrophobicContact CG2-CB 4.08Å; I9-T57 HydrophobicContact CD1-CG2 4.07Å |
| 10 | A | 94.6 | Very high | 89 | Confident | 59 Ų | 59 | 73.6 Ų | 73.6 | 49% | 0.488 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | T6 Q7 L8 L12 N13 E14 | T6-A10 PolarHBondContact O-N 3.3Å; T6-A10 VanDerWaalsContact O-N 3.11Å; Q7-A10 PolarHBondContact O-N 3.43Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.4Å; A10-L12 VanDerWaalsContact C-N 3.31Å; A10-L12 PolarHBondContact O-N 3Å; A10-N13 PolarHBondContact O-N 2.64Å; A10-E14 PolarHBondContact O-N 2.87Å |
| 11 | Q | 94.1 | Very high | 89 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 24% | 0.238 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 176.9 | -69.6 | 173.5 | -16.4 | 0 | 0 | 112.4 | Q7 L8 R15 T31 | Q7-Q11 WeakPolarHBondContact O-CG 3.44Å; Q7-Q11 PolarHBondContact O-N 3.32Å; L8-Q11 PolarHBondContact O-N 3.11Å; Q11-R15 WeakPolarHBondContact O-CB 3.39Å; Q11-R15 PolarHBondContact O-N 3.45Å; Q11-T31 HydrophobicContact CB-CG2 3.67Å |
| 12 | L | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 176.4 | -80.2 | 167.6 | 0 | 0 | 0 | 110.6 | L8 I9 A10 E14 R15 I16 F28 T31 T57 | L8-L12 HydrophobicContact CD1-CD1 4.13Å; L8-L12 HydrophobicContact CD1-CG 4.27Å; L8-L12 HydrophobicContact CD2-CD1 4.43Å; L8-L12 HydrophobicContact CG-CD1 3.89Å; L8-L12 HydrophobicContact CG-CG 4.46Å; L8-L12 WeakPolarHBondContact O-CB 3.2Å; L8-L12 WeakPolarHBondContact O-CG 3.21Å; L8-L12 PolarHBondContact O-N 2.81Å; I9-L12 HydrophobicContact CD1-CD1 4.27Å; I9-L12 PolarHBondContact O-N 3.29Å; A10-L12 VanDerWaalsContact C-N 3.31Å; A10-L12 PolarHBondContact O-N 3Å; L12-E14 VanDerWaalsContact C-N 3.31Å; L12-E14 PolarHBondContact O-N 3.15Å; L12-R15 PolarHBondContact O-N 3.49Å; L12-I16 HydrophobicContact CB-CD1 4.23Å; L12-I16 VanDerWaalsContact O-CB 3.3Å; L12-I16 WeakPolarHBondContact O-CB 3.47Å; L12-I16 VanDerWaalsContact O-CD1 3.28Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.23Å; L12-I16 WeakPolarHBondContact O-CG1 3.3Å; L12-I16 PolarHBondContact O-N 3.19Å; L12-F28 HydrophobicContact CD1-CD2 4.49Å; L12-F28 HydrophobicContact CD1-CE1 4.03Å; L12-F28 HydrophobicContact CD1-CE2 3.83Å; L12-F28 HydrophobicContact CD1-CZ 3.55Å; L12-F28 HydrophobicContact CD2-CB 4.19Å; L12-F28 HydrophobicContact CD2-CD1 3.81Å; L12-F28 HydrophobicContact CD2-CD2 3.65Å; L12-F28 HydrophobicContact CD2-CE1 3.99Å; L12-F28 HydrophobicContact CD2-CE2 3.84Å; L12-F28 HydrophobicContact CD2-CG 3.62Å; L12-F28 HydrophobicContact CD2-CZ 3.99Å; L12-F28 HydrophobicContact CG-CE2 4.43Å; L12-F28 HydrophobicContact CG-CZ 4.44Å; L12-T31 HydrophobicContact CB-CG2 4.47Å; L12-T31 HydrophobicContact CD2-CG2 3.77Å; L12-T31 HydrophobicContact CG-CG2 3.8Å; L12-T57 HydrophobicContact CB-CG2 3.93Å; L12-T57 HydrophobicContact CD1-CG2 4.08Å |
| 13 | N | 95.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | -179.7 | -75.2 | -22.9 | 0 | 0 | 0 | 111.9 | I9 A10 L17 T57 | I9-N13 WeakPolarHBondContact O-CB 3.27Å; I9-N13 PolarHBondContact O-N 2.99Å; I9-N13 PolarHBondContact O-ND2 2.94Å; A10-N13 PolarHBondContact O-N 2.64Å; N13-L17 WeakPolarHBondContact O-CD1 3.39Å; N13-L17 VanDerWaalsContact O-CG 3.25Å; N13-L17 WeakPolarHBondContact O-CG 3.35Å; N13-L17 PolarHBondContact O-N 2.87Å; N13-T57 VanDerWaalsContact OD1-CA 3.28Å; N13-T57 WeakPolarHBondContact OD1-CA 3.49Å |
| 14 | E | 95 | Very high | 92.4 | Very high | 148 Ų | 148 | 65.6 Ų | 65.6 | 69% | 0.692 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.2 | -50.9 | 174.5 | -174.3 | -177.4 | -177.3 | 0 | 0 | 111.8 | A10 L12 I16 L17 A18 | A10-E14 PolarHBondContact O-N 2.87Å; L12-E14 VanDerWaalsContact C-N 3.31Å; L12-E14 PolarHBondContact O-N 3.15Å; E14-I16 PolarHBondContact O-N 2.97Å; E14-L17 PolarHBondContact O-N 2.81Å; E14-A18 PolarHBondContact O-N 3.39Å |
| 15 | R | 94 | Very high | 92.9 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 28% | 0.279 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | -176 | -175.8 | 68.7 | -170.3 | 96.2 | -9.9 | 112.6 | Q11 L12 L17 A18 D20 K27 T31 | Q11-R15 WeakPolarHBondContact O-CB 3.39Å; Q11-R15 PolarHBondContact O-N 3.45Å; L12-R15 PolarHBondContact O-N 3.49Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-A18 WeakPolarHBondContact O-CB 3.43Å; R15-A18 PolarHBondContact O-N 3.05Å; R15-D20 IonicContact CZ-OD2 2.69Å; R15-D20 IonicContact NH1-OD2 2.77Å; R15-D20 PolarHBondContact NH1-OD2 3.16Å; R15-D20 IonicContact NH2-OD1 2.67Å; R15-D20 IonicContact NH2-OD2 3.88Å; R15-D20 PolarHBondContact NH2-OD2 3.42Å; R15-K27 HydrophobicContact CG-CB 4.01Å; R15-K27 HydrophobicContact CG-CG 4.42Å; R15-T31 VanDerWaalsContact CB-OG1 3.28Å; R15-T31 WeakPolarHBondContact CB-OG1 3.4Å; R15-T31 WeakPolarHBondContact CG-OG1 3.28Å |
| 16 | I | 92.1 | Very high | 93 | Very high | 29 Ų | 29 | 69.5 Ų | 69.5 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -36.7 | -179.8 | -75 | 158.4 | 0 | 0 | 0 | 111.2 | L12 E14 A18 L24 F28 T57 V59 | L12-I16 HydrophobicContact CB-CD1 4.23Å; L12-I16 VanDerWaalsContact O-CB 3.3Å; L12-I16 WeakPolarHBondContact O-CB 3.47Å; L12-I16 VanDerWaalsContact O-CD1 3.28Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.23Å; L12-I16 WeakPolarHBondContact O-CG1 3.3Å; L12-I16 PolarHBondContact O-N 3.19Å; E14-I16 PolarHBondContact O-N 2.97Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-L24 HydrophobicContact CB-CD2 4.45Å; I16-L24 HydrophobicContact CG1-CD2 4.44Å; I16-L24 HydrophobicContact CG2-CD2 3.81Å; I16-F28 HydrophobicContact CD1-CD2 4.32Å; I16-T57 HydrophobicContact CD1-CG2 4.49Å; I16-V59 HydrophobicContact CD1-CG2 3.39Å; I16-V59 HydrophobicContact CG1-CG2 4.12Å; I16-V59 HydrophobicContact CG2-CG2 4.19Å |
| 17 | L | 91.6 | Very high | 93.2 | Very high | 146 Ų | 146 | 66.1 Ų | 66.1 | 76% | 0.764 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -75 | -17.9 | 178.4 | -70.8 | 171.7 | 0 | 0 | 0 | 113.8 | N13 E14 R15 A19 | N13-L17 WeakPolarHBondContact O-CD1 3.39Å; N13-L17 VanDerWaalsContact O-CG 3.25Å; N13-L17 WeakPolarHBondContact O-CG 3.35Å; N13-L17 PolarHBondContact O-N 2.87Å; E14-L17 PolarHBondContact O-N 2.81Å; R15-L17 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.38Å |
| 18 | A | 90.5 | Very high | 93.4 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -60.2 | 123.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E14 R15 I16 D20 K27 | E14-A18 PolarHBondContact O-N 3.39Å; R15-A18 WeakPolarHBondContact O-CB 3.43Å; R15-A18 PolarHBondContact O-N 3.05Å; I16-A18 VanDerWaalsContact C-N 3.32Å; A18-D20 VanDerWaalsContact C-N 3.26Å; A18-D20 PolarHBondContact O-N 2.87Å; A18-K27 PolarHBondContact O-NZ 3.41Å |
| 19 | A | 84.2 | Confident | 93.4 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 94% | 0.942 | 35% | 0.345 | S | S | * | . | trans | -77.1 | 71.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L17 | L17-A19 PolarHBondContact O-N 3.38Š| ||
| 20 | D | 91.6 | Very high | 93.2 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 32% | 0.316 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -128.5 | 162.6 | 170.3 | 73.6 | 48.8 | 0 | 0 | 0 | 111 | R15 A18 T22 K27 | R15-D20 IonicContact CZ-OD2 2.69Å; R15-D20 IonicContact NH1-OD2 2.77Å; R15-D20 PolarHBondContact NH1-OD2 3.16Å; R15-D20 IonicContact NH2-OD1 2.67Å; R15-D20 IonicContact NH2-OD2 3.88Å; R15-D20 PolarHBondContact NH2-OD2 3.42Å; A18-D20 VanDerWaalsContact C-N 3.26Å; A18-D20 PolarHBondContact O-N 2.87Å; D20-T22 PolarHBondContact O-N 3.38Å; D20-T22 WeakPolarHBondContact OD1-CA 3.34Å; D20-T22 WeakPolarHBondContact OD1-CB 3.43Å; D20-T22 PolarHBondContact OD1-N 3.29Å; D20-T22 PolarHBondContact OD1-OG1 2.89Å; D20-K27 VanDerWaalsContact CG-CE 3.48Å; D20-K27 PolarHBondContact O-NZ 3.04Å; D20-K27 VanDerWaalsContact O-NZ 3.08Å; D20-K27 WeakPolarHBondContact OD1-CE 3.33Å; D20-K27 IonicContact OD1-NZ 3.5Å; D20-K27 PolarHBondContact OD1-NZ 3.19Å; D20-K27 VanDerWaalsContact OD1-NZ 3.08Å; D20-K27 IonicContact OD2-NZ 3.97Å |
| 21 | N | 89.5 | Confident | 93.2 | Very high | 175 Ų | 175 | 61.2 Ų | 61.2 | 94% | 0.936 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -77.9 | 8.1 | -176.8 | -73 | -12.9 | 0 | 0 | 0 | 114.4 | ||
| 22 | T | 91.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71.3 | 129.6 | -179.9 | -45.1 | 0 | 0 | 0 | 0 | 109.6 | D20 L24 I26 K27 | D20-T22 PolarHBondContact O-N 3.38Å; D20-T22 WeakPolarHBondContact OD1-CA 3.34Å; D20-T22 WeakPolarHBondContact OD1-CB 3.43Å; D20-T22 PolarHBondContact OD1-N 3.29Å; D20-T22 PolarHBondContact OD1-OG1 2.89Å; T22-L24 PolarHBondContact O-N 3.03Å; T22-I26 HydrophobicContact CG2-CB 3.89Å; T22-I26 HydrophobicContact CG2-CG2 3.66Å; T22-K27 HydrophobicContact CG2-CG 3.99Å; T22-K27 WeakPolarHBondContact O-CE 3.39Å |
| 23 | P | 94.6 | Very high | 92.8 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | trans | -53.7 | 138.3 | 174.9 | -27.1 | 34.2 | 0 | 0 | 0 | 112.4 | Y25 I26 K27 | P23-Y25 VanDerWaalsContact C-N 3.27Å; P23-Y25 HydrophobicContact CB-CD1 3.74Å; P23-Y25 HydrophobicContact CB-CE1 3.62Å; P23-Y25 HydrophobicContact CG-CE1 4.36Å; P23-Y25 PolarHBondContact O-N 3.02Å; P23-I26 HydrophobicContact CB-CD1 4.31Å; P23-I26 HydrophobicContact CB-CG1 4.22Å; P23-I26 HydrophobicContact CG-CD1 4.05Å; P23-I26 WeakPolarHBondContact O-CA 3.28Å; P23-I26 WeakPolarHBondContact O-CB 3.44Å; P23-I26 PolarHBondContact O-N 3.14Å; P23-K27 PolarHBondContact O-N 2.94Å | ||
| 24 | L | 94.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 60.3 Ų | 60.3 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.6 | -38.5 | -175.6 | -76.8 | 173.5 | 0 | 0 | 0 | 113.9 | I16 T22 I26 K27 F28 T63 | I16-L24 HydrophobicContact CB-CD2 4.45Å; I16-L24 HydrophobicContact CG1-CD2 4.44Å; I16-L24 HydrophobicContact CG2-CD2 3.81Å; T22-L24 PolarHBondContact O-N 3.03Å; L24-I26 VanDerWaalsContact C-N 3.29Å; L24-I26 PolarHBondContact O-N 2.87Å; L24-K27 HydrophobicContact CD2-CD 4.42Å; L24-K27 WeakPolarHBondContact O-CB 3.5Å; L24-K27 PolarHBondContact O-N 2.67Å; L24-F28 WeakPolarHBondContact O-CB 3.43Å; L24-F28 PolarHBondContact O-N 3.45Å; L24-T63 HydrophobicContact CB-CG2 3.69Å |
| 25 | Y | 95.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -32.7 | 178.7 | 83.6 | -82.4 | 0 | 0 | 0 | 112 | P23 A29 K66 A67 | P23-Y25 VanDerWaalsContact C-N 3.27Å; P23-Y25 HydrophobicContact CB-CD1 3.74Å; P23-Y25 HydrophobicContact CB-CE1 3.62Å; P23-Y25 HydrophobicContact CG-CE1 4.36Å; P23-Y25 PolarHBondContact O-N 3.02Å; Y25-A29 WeakPolarHBondContact O-CB 3.32Å; Y25-A29 PolarHBondContact O-N 2.83Å; Y25-K66 HydrophobicContact CD1-CD 3.89Å; Y25-K66 HydrophobicContact CD2-CB 4.44Å; Y25-K66 HydrophobicContact CD2-CD 3.99Å; Y25-K66 HydrophobicContact CD2-CG 3.74Å; Y25-K66 HydrophobicContact CE1-CD 4.18Å; Y25-K66 HydrophobicContact CE2-CD 4.26Å; Y25-K66 HydrophobicContact CE2-CG 4.2Å; Y25-K66 HydrophobicContact CG-CB 4.35Å; Y25-K66 HydrophobicContact CG-CD 3.79Å; Y25-K66 HydrophobicContact CG-CG 3.91Å; Y25-A67 WeakPolarHBondContact O-CB 3.37Å |
| 26 | I | 94.3 | Very high | 91.7 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 30% | 0.297 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.5 | -45.5 | 174.4 | -63 | -174.8 | 0 | 0 | 0 | 109.6 | T22 P23 L24 F28 A29 E30 | T22-I26 HydrophobicContact CG2-CB 3.89Å; T22-I26 HydrophobicContact CG2-CG2 3.66Å; P23-I26 HydrophobicContact CB-CD1 4.31Å; P23-I26 HydrophobicContact CB-CG1 4.22Å; P23-I26 HydrophobicContact CG-CD1 4.05Å; P23-I26 WeakPolarHBondContact O-CA 3.28Å; P23-I26 WeakPolarHBondContact O-CB 3.44Å; P23-I26 PolarHBondContact O-N 3.14Å; L24-I26 VanDerWaalsContact C-N 3.29Å; L24-I26 PolarHBondContact O-N 2.87Å; I26-F28 VanDerWaalsContact C-N 3.26Å; I26-F28 PolarHBondContact O-N 3.08Å; I26-A29 PolarHBondContact O-N 2.97Å; I26-E30 HydrophobicContact CG2-CG 4.19Å; I26-E30 WeakPolarHBondContact O-CB 3.37Å; I26-E30 WeakPolarHBondContact O-CG 3.38Å; I26-E30 PolarHBondContact O-N 3.49Å |
| 27 | K | 95.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.2 | -47 | 174.1 | -70.9 | -177.7 | 177.3 | 175.2 | 0 | 111.2 | R15 A18 D20 T22 P23 L24 T31 | R15-K27 HydrophobicContact CG-CB 4.01Å; R15-K27 HydrophobicContact CG-CG 4.42Å; A18-K27 PolarHBondContact O-NZ 3.41Å; D20-K27 VanDerWaalsContact CG-CE 3.48Å; D20-K27 PolarHBondContact O-NZ 3.04Å; D20-K27 VanDerWaalsContact O-NZ 3.08Å; D20-K27 WeakPolarHBondContact OD1-CE 3.33Å; D20-K27 IonicContact OD1-NZ 3.5Å; D20-K27 PolarHBondContact OD1-NZ 3.19Å; D20-K27 VanDerWaalsContact OD1-NZ 3.08Å; D20-K27 IonicContact OD2-NZ 3.97Å; T22-K27 HydrophobicContact CG2-CG 3.99Å; T22-K27 WeakPolarHBondContact O-CE 3.39Å; P23-K27 PolarHBondContact O-N 2.94Å; L24-K27 HydrophobicContact CD2-CD 4.42Å; L24-K27 WeakPolarHBondContact O-CB 3.5Å; L24-K27 PolarHBondContact O-N 2.67Å; K27-T31 PolarHBondContact O-N 3.35Å; K27-T31 PolarHBondContact O-OG1 2.81Å |
| 28 | F | 96.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -51.7 | 178.3 | -163.9 | -64.7 | 0 | 0 | 0 | 111.6 | L12 I16 L24 I26 E30 T31 V32 L53 T57 V64 A67 | L12-F28 HydrophobicContact CD1-CD2 4.49Å; L12-F28 HydrophobicContact CD1-CE1 4.03Å; L12-F28 HydrophobicContact CD1-CE2 3.83Å; L12-F28 HydrophobicContact CD1-CZ 3.55Å; L12-F28 HydrophobicContact CD2-CB 4.19Å; L12-F28 HydrophobicContact CD2-CD1 3.81Å; L12-F28 HydrophobicContact CD2-CD2 3.65Å; L12-F28 HydrophobicContact CD2-CE1 3.99Å; L12-F28 HydrophobicContact CD2-CE2 3.84Å; L12-F28 HydrophobicContact CD2-CG 3.62Å; L12-F28 HydrophobicContact CD2-CZ 3.99Å; L12-F28 HydrophobicContact CG-CE2 4.43Å; L12-F28 HydrophobicContact CG-CZ 4.44Å; I16-F28 HydrophobicContact CD1-CD2 4.32Å; L24-F28 WeakPolarHBondContact O-CB 3.43Å; L24-F28 PolarHBondContact O-N 3.45Å; I26-F28 VanDerWaalsContact C-N 3.26Å; I26-F28 PolarHBondContact O-N 3.08Å; F28-E30 PolarHBondContact O-N 2.66Å; F28-T31 PolarHBondContact O-N 3.41Å; F28-V32 HydrophobicContact CD1-CG2 3.93Å; F28-V32 HydrophobicContact CE1-CG2 3.74Å; F28-V32 PolarHBondContact O-N 2.88Å; F28-L53 HydrophobicContact CE1-CD1 4.43Å; F28-L53 HydrophobicContact CZ-CB 4.19Å; F28-L53 HydrophobicContact CZ-CD1 3.98Å; F28-L53 HydrophobicContact CZ-CD2 4.14Å; F28-L53 HydrophobicContact CZ-CG 4.32Å; F28-T57 HydrophobicContact CE2-CG2 4.31Å; F28-V64 HydrophobicContact CE2-CG2 4.16Å; F28-V64 HydrophobicContact CZ-CG1 4.45Å; F28-A67 HydrophobicContact CB-CB 3.77Å; F28-A67 HydrophobicContact CD1-CB 3.8Å; F28-A67 HydrophobicContact CG-CB 3.91Å |
| 29 | A | 94 | Very high | 89.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y25 I26 T31 V32 K33 A67 L71 | Y25-A29 WeakPolarHBondContact O-CB 3.32Å; Y25-A29 PolarHBondContact O-N 2.83Å; I26-A29 PolarHBondContact O-N 2.97Å; A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 3.03Å; A29-V32 PolarHBondContact O-N 3.4Å; A29-K33 WeakPolarHBondContact O-CG 3.43Å; A29-K33 PolarHBondContact O-N 2.9Å; A29-A67 HydrophobicContact CB-CB 4.5Å; A29-L71 HydrophobicContact CB-CD2 3.71Å; A29-L71 HydrophobicContact CB-CG 4Å; A29-L71 WeakPolarHBondContact O-CD2 3.2Å |
| 30 | E | 91.8 | Very high | 89.7 | Confident | 62 Ų | 62 | 45.3 Ų | 45.3 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 176.5 | -73.4 | -59 | 142.8 | 0 | 0 | 112.6 | I26 F28 K33 N34 R37 | I26-E30 HydrophobicContact CG2-CG 4.19Å; I26-E30 WeakPolarHBondContact O-CB 3.37Å; I26-E30 WeakPolarHBondContact O-CG 3.38Å; I26-E30 PolarHBondContact O-N 3.49Å; F28-E30 PolarHBondContact O-N 2.66Å; E30-K33 PolarHBondContact O-N 3.43Å; E30-K33 WeakPolarHBondContact OE1-CE 3.49Å; E30-K33 IonicContact OE1-NZ 3.95Å; E30-K33 PolarHBondContact OE1-NZ 3.44Å; E30-K33 IonicContact OE2-NZ 3.08Å; E30-N34 WeakPolarHBondContact O-CB 3.42Å; E30-N34 PolarHBondContact O-N 3.47Å; E30-N34 PolarHBondContact O-ND2 3.05Å; E30-R37 IonicContact OE2-NH1 2.82Å |
| 31 | T | 94.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | L8 Q11 L12 R15 K27 F28 A29 K33 N34 A35 | L8-T31 HydrophobicContact CD1-CG2 4.42Å; Q11-T31 HydrophobicContact CB-CG2 3.67Å; L12-T31 HydrophobicContact CB-CG2 4.47Å; L12-T31 HydrophobicContact CD2-CG2 3.77Å; L12-T31 HydrophobicContact CG-CG2 3.8Å; R15-T31 VanDerWaalsContact CB-OG1 3.28Å; R15-T31 WeakPolarHBondContact CB-OG1 3.4Å; R15-T31 WeakPolarHBondContact CG-OG1 3.28Å; K27-T31 PolarHBondContact O-N 3.35Å; K27-T31 PolarHBondContact O-OG1 2.81Å; F28-T31 PolarHBondContact O-N 3.41Å; A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 3.03Å; T31-K33 VanDerWaalsContact C-N 3.34Å; T31-K33 PolarHBondContact O-N 2.87Å; T31-N34 PolarHBondContact O-N 2.91Å; T31-A35 WeakPolarHBondContact O-CB 3.16Å; T31-A35 PolarHBondContact O-N 3.36Å |
| 32 | V | 93.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | L8 F28 A29 N34 A35 V36 L41 L47 L71 V76 I87 | L8-V32 HydrophobicContact CD1-CG2 4.16Å; F28-V32 HydrophobicContact CD1-CG2 3.93Å; F28-V32 HydrophobicContact CE1-CG2 3.74Å; F28-V32 PolarHBondContact O-N 2.88Å; A29-V32 PolarHBondContact O-N 3.4Å; V32-N34 VanDerWaalsContact C-N 3.32Å; V32-N34 PolarHBondContact O-N 3.43Å; V32-A35 WeakPolarHBondContact O-CB 3.39Å; V32-A35 PolarHBondContact O-N 3.12Å; V32-A35 VanDerWaalsContact O-N 3.15Å; V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 3.18Å; V32-L41 HydrophobicContact CG1-CD1 4.04Å; V32-L47 HydrophobicContact CG1-CD1 4.32Å; V32-L71 HydrophobicContact CB-CD1 3.77Å; V32-L71 HydrophobicContact CB-CD2 4.49Å; V32-L71 HydrophobicContact CG1-CD1 3.75Å; V32-L71 HydrophobicContact CG2-CD1 3.99Å; V32-V76 HydrophobicContact CG1-CG1 4.47Å; V32-I87 HydrophobicContact CG1-CD1 4.08Å |
| 33 | K | 89 | Confident | 88.8 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 175.7 | -72.1 | -171 | -66.7 | -171.7 | 0 | 112.1 | A29 E30 T31 A35 V36 R37 L71 E74 V76 | A29-K33 WeakPolarHBondContact O-CG 3.43Å; A29-K33 PolarHBondContact O-N 2.9Å; E30-K33 PolarHBondContact O-N 3.43Å; E30-K33 WeakPolarHBondContact OE1-CE 3.49Å; E30-K33 IonicContact OE1-NZ 3.95Å; E30-K33 PolarHBondContact OE1-NZ 3.44Å; E30-K33 IonicContact OE2-NZ 3.08Å; T31-K33 VanDerWaalsContact C-N 3.34Å; T31-K33 PolarHBondContact O-N 2.87Å; K33-A35 VanDerWaalsContact C-N 3.34Å; K33-A35 PolarHBondContact O-N 3.44Å; K33-V36 PolarHBondContact O-N 3.43Å; K33-R37 WeakPolarHBondContact O-CB 3.26Å; K33-R37 VanDerWaalsContact O-CG 3.25Å; K33-R37 WeakPolarHBondContact O-CG 3.44Å; K33-R37 PolarHBondContact O-N 3.33Å; K33-L71 HydrophobicContact CD-CD2 4.28Å; K33-L71 HydrophobicContact CG-CD2 3.79Å; K33-E74 VanDerWaalsContact CD-OE2 3.28Å; K33-E74 WeakPolarHBondContact CD-OE2 3.37Å; K33-E74 WeakPolarHBondContact CE-OE2 3.46Å; K33-E74 IonicContact NZ-OE1 3.84Å; K33-E74 PolarHBondContact NZ-OE1 2.87Å; K33-E74 IonicContact NZ-OE2 3.21Å; K33-E74 PolarHBondContact NZ-OE2 3.49Å; K33-V76 HydrophobicContact CD-CG2 3.88Å; K33-V76 HydrophobicContact CG-CG1 4.19Å; K33-V76 HydrophobicContact CG-CG2 3.82Å |
| 34 | N | 87 | Confident | 88.4 | Confident | 75 Ų | 75 | 39.9 Ų | 39.9 | 40% | 0.401 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 176.9 | -70.4 | -25.3 | 0 | 0 | 0 | 112.5 | E30 T31 V32 V36 R37 S38 | E30-N34 WeakPolarHBondContact O-CB 3.42Å; E30-N34 PolarHBondContact O-N 3.47Å; E30-N34 PolarHBondContact O-ND2 3.05Å; T31-N34 PolarHBondContact O-N 2.91Å; V32-N34 VanDerWaalsContact C-N 3.32Å; V32-N34 PolarHBondContact O-N 3.43Å; N34-V36 VanDerWaalsContact C-N 3.32Å; N34-R37 PolarHBondContact O-N 3.44Å; N34-R37 PolarHBondContact OD1-NH1 2.95Å; N34-S38 WeakPolarHBondContact O-CB 3.47Å; N34-S38 PolarHBondContact O-N 2.93Å; N34-S38 PolarHBondContact O-OG 3.49Å |
| 35 | A | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L8 T31 V32 K33 S38 G39 V40 L41 | L8-A35 HydrophobicContact CD1-CB 3.79Å; T31-A35 WeakPolarHBondContact O-CB 3.16Å; T31-A35 PolarHBondContact O-N 3.36Å; V32-A35 WeakPolarHBondContact O-CB 3.39Å; V32-A35 PolarHBondContact O-N 3.12Å; V32-A35 VanDerWaalsContact O-N 3.15Å; K33-A35 VanDerWaalsContact C-N 3.34Å; K33-A35 PolarHBondContact O-N 3.44Å; A35-S38 PolarHBondContact O-OG 2.99Å; A35-G39 PolarHBondContact O-N 3.5Å; A35-V40 HydrophobicContact CB-CB 4.16Å; A35-V40 HydrophobicContact CB-CG1 4.38Å; A35-V40 PolarHBondContact O-N 2.88Å; A35-L41 HydrophobicContact CB-CB 4.45Å; A35-L41 HydrophobicContact CB-CD1 3.77Å; A35-L41 HydrophobicContact CB-CG 3.91Å; A35-L41 PolarHBondContact O-N 3.27Å |
| 36 | V | 85.2 | Confident | 88 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | V32 K33 N34 S38 G39 L41 I87 I90 | V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 3.18Å; K33-V36 PolarHBondContact O-N 3.43Å; N34-V36 VanDerWaalsContact C-N 3.32Å; V36-S38 VanDerWaalsContact C-N 3.29Å; V36-S38 PolarHBondContact O-N 2.97Å; V36-G39 PolarHBondContact O-N 2.8Å; V36-G39 VanDerWaalsContact O-N 3.09Å; V36-L41 WeakPolarHBondContact CA-O 3.38Å; V36-L41 HydrophobicContact CG2-CB 3.86Å; V36-L41 HydrophobicContact CG2-CD1 4.24Å; V36-I87 HydrophobicContact CG1-CG2 4.26Å; V36-I87 HydrophobicContact CG2-CD1 3.8Å; V36-I87 HydrophobicContact CG2-CG2 3.68Å; V36-I90 HydrophobicContact CB-CD1 3.98Å; V36-I90 HydrophobicContact CG1-CD1 3.68Å; V36-I90 HydrophobicContact CG1-CG1 3.98Å; V36-I90 HydrophobicContact CG2-CD1 3.98Å |
| 37 | R | 75 | Confident | 88 | Confident | 87 Ų | 87 | 35 Ų | 35 | 33% | 0.328 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 179.6 | -70.9 | 170.5 | -172.7 | 161 | -2.5 | 112.7 | E30 K33 N34 G39 E92 R108 | E30-R37 IonicContact OE2-NH1 2.82Å; K33-R37 WeakPolarHBondContact O-CB 3.26Å; K33-R37 VanDerWaalsContact O-CG 3.25Å; K33-R37 WeakPolarHBondContact O-CG 3.44Å; K33-R37 PolarHBondContact O-N 3.33Å; N34-R37 PolarHBondContact O-N 3.44Å; N34-R37 PolarHBondContact OD1-NH1 2.95Å; R37-G39 VanDerWaalsContact C-N 3.33Å; R37-E92 IonicContact CZ-OE2 2.82Å; R37-E92 IonicContact NE-OE2 3.66Å; R37-E92 PolarHBondContact NE-OE2 2.82Å; R37-E92 IonicContact NH2-OE1 3.1Å; R37-E92 IonicContact NH2-OE2 3.15Å; R37-E92 PolarHBondContact NH2-OE2 2.83Å; R37-R108 PolarHBondContact O-NH1 3.36Å; R37-R108 PolarHBondContact O-NH2 2.83Å |
| 38 | S | 78.2 | Confident | 87.8 | Confident | 77 Ų | 77 | 35.4 Ų | 35.4 | 54% | 0.538 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -82 | -8.6 | 178.4 | 56.3 | 0 | 0 | 0 | 0 | 114 | N34 A35 V36 V40 | N34-S38 WeakPolarHBondContact O-CB 3.47Å; N34-S38 PolarHBondContact O-N 2.93Å; N34-S38 PolarHBondContact O-OG 3.49Å; A35-S38 PolarHBondContact O-OG 2.99Å; V36-S38 VanDerWaalsContact C-N 3.29Å; V36-S38 PolarHBondContact O-N 2.97Å; S38-V40 VanDerWaalsContact C-N 3.32Å |
| 39 | G | 77.9 | Confident | 87.6 | Confident | 36 Ų | 36 | 37 Ų | 37 | 37% | 0.371 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 10.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A35 V36 R37 L41 | A35-G39 PolarHBondContact O-N 3.5Å; V36-G39 PolarHBondContact O-N 2.8Å; V36-G39 VanDerWaalsContact O-N 3.09Å; R37-G39 VanDerWaalsContact C-N 3.33Å; G39-L41 VanDerWaalsContact C-N 3.29Å |
| 40 | V | 85.3 | Confident | 87.6 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -66.1 | -37.8 | 170 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | A4 Q7 A35 S38 | A4-V40 WeakPolarHBondContact CB-O 3.48Å; Q7-V40 HydrophobicContact CB-CG1 3.86Å; Q7-V40 HydrophobicContact CG-CG1 3.93Å; Q7-V40 HydrophobicContact CG-CG2 4.32Å; A35-V40 HydrophobicContact CB-CB 4.16Å; A35-V40 HydrophobicContact CB-CG1 4.38Å; A35-V40 PolarHBondContact O-N 2.88Å; S38-V40 VanDerWaalsContact C-N 3.32Å |
| 41 | L | 88.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -110.7 | 130.6 | 169.7 | -67.2 | 173.7 | 0 | 0 | 0 | 109 | A4 L8 V32 A35 V36 G39 N45 L47 I87 | A4-L41 HydrophobicContact CB-CD2 4.36Å; L8-L41 HydrophobicContact CD1-CD1 4.05Å; L8-L41 HydrophobicContact CD2-CD1 3.96Å; L8-L41 HydrophobicContact CD2-CD2 4.38Å; L8-L41 HydrophobicContact CG-CD1 4.48Å; V32-L41 HydrophobicContact CG1-CD1 4.04Å; A35-L41 HydrophobicContact CB-CB 4.45Å; A35-L41 HydrophobicContact CB-CD1 3.77Å; A35-L41 HydrophobicContact CB-CG 3.91Å; A35-L41 PolarHBondContact O-N 3.27Å; V36-L41 WeakPolarHBondContact CA-O 3.38Å; V36-L41 HydrophobicContact CG2-CB 3.86Å; V36-L41 HydrophobicContact CG2-CD1 4.24Å; G39-L41 VanDerWaalsContact C-N 3.29Å; L41-N45 WeakPolarHBondContact CA-OD1 3.46Å; L41-N45 HydrophobicContact CD2-CB 4.44Å; L41-L47 HydrophobicContact CD1-CD2 3.87Å; L41-L47 HydrophobicContact CD2-CD2 4.28Å; L41-I87 HydrophobicContact CB-CD1 4.38Å; L41-I87 HydrophobicContact CB-CG1 4.27Å; L41-I87 HydrophobicContact CD1-CD1 3.79Å; L41-I87 HydrophobicContact CD1-CG1 4.31Å |
| 42 | E | 83.1 | Confident | 87.6 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | trans | -109.1 | 161.1 | 178.6 | -61 | -171 | 155.1 | 0 | 0 | 111.1 | G44 N45 I87 | E42-G44 PolarHBondContact O-N 3.32Å; E42-N45 PolarHBondContact N-OD1 3.32Å; E42-N45 VanDerWaalsContact O-CB 3.31Å; E42-N45 WeakPolarHBondContact O-CB 3.32Å; E42-N45 PolarHBondContact O-N 3.39Å; E42-I87 WeakPolarHBondContact O-CB 3.25Å; E42-I87 WeakPolarHBondContact O-CG2 3.39Å | ||
| 43 | H | 82.5 | Confident | 87.7 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.3 | 171.6 | 178.9 | 50.7 | 0 | 0 | 0 | 110.1 | N45 I87 N88 N89 | H43-N45 VanDerWaalsContact C-N 3.32Å; H43-N45 PolarHBondContact O-N 3.11Å; H43-I87 PolarHBondContact ND1-O 3.42Å; H43-N88 VanDerWaalsContact ND1-C 3.34Å; H43-N89 HydrophobicContact CB-CB 4.05Å; H43-N89 PolarHBondContact ND1-N 3.09Å |
| 44 | G | 85.6 | Confident | 88.1 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -16.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E42 I46 I87 | E42-G44 PolarHBondContact O-N 3.32Å; G44-I46 PolarHBondContact O-N 3.5Å; G44-I87 PolarHBondContact N-O 2.77Å |
| 45 | N | 90.2 | Very high | 88.5 | Confident | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.16 | 27% | 0.266 | C | S | . | . | trans | -60.1 | 136 | 172.1 | -72.1 | 174.1 | 0 | 0 | 0 | 110.6 | L41 E42 H43 Q86 I87 | L41-N45 WeakPolarHBondContact CA-OD1 3.46Å; L41-N45 HydrophobicContact CD2-CB 4.44Å; E42-N45 PolarHBondContact N-OD1 3.32Å; E42-N45 VanDerWaalsContact O-CB 3.31Å; E42-N45 WeakPolarHBondContact O-CB 3.32Å; E42-N45 PolarHBondContact O-N 3.39Å; H43-N45 VanDerWaalsContact C-N 3.32Å; H43-N45 PolarHBondContact O-N 3.11Å; N45-Q86 CarbonylContact O-C 3.57Å; N45-Q86 WeakPolarHBondContact O-CA 2.75Å; N45-I87 HydrophobicContact CB-CB 4.46Å; N45-I87 HydrophobicContact CB-CG1 4.21Å; N45-I87 PolarHBondContact O-N 2.77Å | ||
| 46 | I | 92 | Very high | 88.7 | Confident | 59 Ų | 59 | 52 Ų | 52 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.2 | 178.5 | -56.8 | -58.4 | 0 | 0 | 0 | 108.6 | H5 G44 Y83 T85 Q86 | H5-I46 PolarHBondContact CE1-O 3.23Å; H5-I46 PolarHBondContact NE2-O 2.98Å; G44-I46 PolarHBondContact O-N 3.5Å; I46-Y83 WeakPolarHBondContact CG2-O 3.38Å; I46-T85 CarbonylContact C-O 3.59Å; I46-T85 WeakPolarHBondContact CA-O 3.36Å; I46-Q86 HydrophobicContact CD1-CB 3.65Å; I46-Q86 HydrophobicContact CD1-CG 3.87Å |
| 47 | L | 93.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 146.9 | 176.4 | -70.1 | 176.9 | 0 | 0 | 0 | 111.3 | L8 V32 L41 M68 V77 T85 I87 | L8-L47 HydrophobicContact CD2-CD2 3.62Å; V32-L47 HydrophobicContact CG1-CD1 4.32Å; L41-L47 HydrophobicContact CD1-CD2 3.87Å; L41-L47 HydrophobicContact CD2-CD2 4.28Å; L47-M68 HydrophobicContact CD1-CE 3.48Å; L47-M68 VanDerWaalsContact CD1-CE 3.48Å; L47-M68 HydrophobicContact CD1-SD 4.16Å; L47-V77 HydrophobicContact CD1-CG1 3.91Å; L47-T85 HydrophobicContact CD1-CG2 4.44Å; L47-T85 PolarHBondContact N-O 2.86Å; L47-I87 HydrophobicContact CD1-CD1 3.99Å; L47-I87 HydrophobicContact CD2-CD1 4.07Å; L47-I87 HydrophobicContact CD2-CG1 4.37Å; L47-I87 HydrophobicContact CG-CD1 3.98Å; L47-I87 HydrophobicContact CG-CG1 4.21Å |
| 48 | P | 92.6 | Very high | 90.1 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 149.8 | 169.6 | -21 | 30.6 | 0 | 0 | 0 | 111.4 | H5 D52 L53 | H5-P48 HydrophobicContact CB-CG 4.47Å; P48-D52 HydrophobicContact CB-CB 4.14Å; P48-L53 HydrophobicContact CB-CD2 3.92Å; P48-L53 HydrophobicContact CB-CG 4.03Å; P48-L53 HydrophobicContact CG-CD2 3.98Å; P48-L53 VanDerWaalsContact O-CD1 3.28Å; P48-L53 WeakPolarHBondContact O-CD1 3.45Å; P48-L53 WeakPolarHBondContact O-CG 3.37Å |
| 49 | G | 92 | Very high | 90.9 | Very high | 36 Ų | 36 | 48 Ų | 48 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 155.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | R51 D52 L53 | G49-R51 PolarHBondContact O-N 3.31Å; G49-D52 PolarHBondContact O-N 3.06Å; G49-L53 PolarHBondContact O-N 3.23Å |
| 50 | E | 92.9 | Very high | 91.8 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 23% | 0.229 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.9 | -32.1 | -179.1 | -62.8 | -175.4 | 169.8 | 0 | 0 | 113 | S54 V64 R65 M68 R79 | E50-S54 WeakPolarHBondContact O-CB 3.46Å; E50-S54 PolarHBondContact O-N 3.49Å; E50-V64 HydrophobicContact CB-CG1 4.14Å; E50-V64 HydrophobicContact CG-CG1 4.31Å; E50-R65 WeakPolarHBondContact OE1-CG 3.45Å; E50-M68 HydrophobicContact CG-CG 4.36Å; E50-R79 IonicContact OE1-CZ 3.57Å; E50-R79 IonicContact OE1-NH1 2.67Å; E50-R79 PolarHBondContact OE1-NH1 3.04Å; E50-R79 IonicContact OE1-NH2 3.71Å |
| 51 | R | 93.3 | Very high | 92.3 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 53% | 0.525 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 172.7 | 170.9 | 166.4 | -170.2 | 175.1 | -1 | 111.8 | G49 S54 Q55 | G49-R51 PolarHBondContact O-N 3.31Å; R51-S54 PolarHBondContact O-N 3.33Å; R51-Q55 PolarHBondContact O-N 2.95Å |
| 52 | D | 93.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.7 | -43.5 | -174.1 | -56.4 | -26.4 | 0 | 0 | 0 | 109.6 | P48 G49 S54 Q55 L56 | P48-D52 HydrophobicContact CB-CB 4.14Å; G49-D52 PolarHBondContact O-N 3.06Å; D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 PolarHBondContact O-N 3.32Å; D52-Q55 PolarHBondContact O-N 3.37Å; D52-Q55 VanDerWaalsContact O-N 3.11Å; D52-L56 HydrophobicContact CB-CD1 4.47Å; D52-L56 VanDerWaalsContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.44Å; D52-L56 WeakPolarHBondContact O-CG 3.42Å; D52-L56 PolarHBondContact O-N 3.35Å |
| 53 | L | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -42.7 | 172.4 | -69.7 | 174.8 | 0 | 0 | 0 | 111.8 | I9 F28 P48 G49 T57 V64 M68 | I9-L53 HydrophobicContact CD1-CD2 3.87Å; F28-L53 HydrophobicContact CE1-CD1 4.43Å; F28-L53 HydrophobicContact CZ-CB 4.19Å; F28-L53 HydrophobicContact CZ-CD1 3.98Å; F28-L53 HydrophobicContact CZ-CD2 4.14Å; F28-L53 HydrophobicContact CZ-CG 4.32Å; P48-L53 HydrophobicContact CB-CD2 3.92Å; P48-L53 HydrophobicContact CB-CG 4.03Å; P48-L53 HydrophobicContact CG-CD2 3.98Å; P48-L53 VanDerWaalsContact O-CD1 3.28Å; P48-L53 WeakPolarHBondContact O-CD1 3.45Å; P48-L53 WeakPolarHBondContact O-CG 3.37Å; G49-L53 PolarHBondContact O-N 3.23Å; L53-T57 WeakPolarHBondContact O-CB 3.28Å; L53-T57 WeakPolarHBondContact O-CG2 3.23Å; L53-T57 PolarHBondContact O-N 3.03Å; L53-T57 PolarHBondContact O-OG1 3.44Å; L53-V64 HydrophobicContact CB-CG1 3.91Å; L53-V64 HydrophobicContact CD1-CG1 4.05Å; L53-M68 HydrophobicContact CD1-SD 4.23Å |
| 54 | S | 96.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.5 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | E50 R51 D52 G58 V59 R61 | E50-S54 WeakPolarHBondContact O-CB 3.46Å; E50-S54 PolarHBondContact O-N 3.49Å; R51-S54 PolarHBondContact O-N 3.33Å; D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 PolarHBondContact O-N 3.32Å; S54-G58 WeakPolarHBondContact O-CA 3.49Å; S54-G58 PolarHBondContact O-N 2.95Å; S54-V59 WeakPolarHBondContact CA-O 3.3Å; S54-V59 VanDerWaalsContact CB-O 3.3Å; S54-V59 WeakPolarHBondContact CB-O 3.46Å; S54-V59 PolarHBondContact OG-O 3.28Å; S54-R61 WeakPolarHBondContact OG-CG 3.01Å; S54-R61 PolarHBondContact OG-N 3.4Å |
| 55 | Q | 95.9 | Very high | 94.4 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69 | -40.6 | 177.7 | -76.3 | -175.4 | -42.1 | 0 | 0 | 112.7 | R51 D52 | R51-Q55 PolarHBondContact O-N 2.95Å; D52-Q55 PolarHBondContact O-N 3.37Å; D52-Q55 VanDerWaalsContact O-N 3.11Å |
| 56 | L | 95 | Very high | 94.7 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.2 | -25.8 | -176.3 | -69.3 | 168 | 0 | 0 | 0 | 113.2 | M1 I9 D52 | M1-L56 HydrophobicContact SD-CD1 4.46Å; I9-L56 HydrophobicContact CD1-CB 3.84Å; I9-L56 HydrophobicContact CD1-CD1 3.98Å; I9-L56 HydrophobicContact CG1-CB 4.33Å; I9-L56 HydrophobicContact CG1-CD1 4.14Å; I9-L56 HydrophobicContact CG2-CB 4.08Å; D52-L56 HydrophobicContact CB-CD1 4.47Å; D52-L56 VanDerWaalsContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.44Å; D52-L56 WeakPolarHBondContact O-CG 3.42Å; D52-L56 PolarHBondContact O-N 3.35Å |
| 57 | T | 94.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -109.1 | -11.7 | -179 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | I9 L12 N13 I16 F28 L53 V59 | I9-T57 HydrophobicContact CD1-CG2 4.07Å; L12-T57 HydrophobicContact CB-CG2 3.93Å; L12-T57 HydrophobicContact CD1-CG2 4.08Å; N13-T57 VanDerWaalsContact OD1-CA 3.28Å; N13-T57 WeakPolarHBondContact OD1-CA 3.49Å; I16-T57 HydrophobicContact CD1-CG2 4.49Å; F28-T57 HydrophobicContact CE2-CG2 4.31Å; L53-T57 WeakPolarHBondContact O-CB 3.28Å; L53-T57 WeakPolarHBondContact O-CG2 3.23Å; L53-T57 PolarHBondContact O-N 3.03Å; L53-T57 PolarHBondContact O-OG1 3.44Å; T57-V59 PolarHBondContact O-N 3.31Å; T57-V59 PolarHBondContact OG1-N 2.94Å |
| 58 | G | 94.2 | Very high | 95 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | trans | 70.5 | 2.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S54 | S54-G58 WeakPolarHBondContact O-CA 3.49Å; S54-G58 PolarHBondContact O-N 2.95Å | ||
| 59 | V | 94.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | trans | -75.5 | 138.7 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | I16 S54 T57 T63 V64 | I16-V59 HydrophobicContact CD1-CG2 3.39Å; I16-V59 HydrophobicContact CG1-CG2 4.12Å; I16-V59 HydrophobicContact CG2-CG2 4.19Å; S54-V59 WeakPolarHBondContact CA-O 3.3Å; S54-V59 VanDerWaalsContact CB-O 3.3Å; S54-V59 WeakPolarHBondContact CB-O 3.46Å; S54-V59 PolarHBondContact OG-O 3.28Å; T57-V59 PolarHBondContact O-N 3.31Å; T57-V59 PolarHBondContact OG1-N 2.94Å; V59-T63 HydrophobicContact CG1-CG2 3.48Å; V59-T63 VanDerWaalsContact CG1-CG2 3.48Å; V59-V64 HydrophobicContact CB-CG2 4.04Å; V59-V64 HydrophobicContact CG1-CG2 3.86Å | ||
| 60 | S | 96.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -59.6 | 144.3 | 178.5 | 81.2 | 0 | 0 | 0 | 0 | 111.5 | I62 T63 V64 | S60-I62 PolarHBondContact O-N 3.21Å; S60-I62 VanDerWaalsContact O-N 3.15Å; S60-T63 WeakPolarHBondContact O-CB 3.25Å; S60-T63 PolarHBondContact O-N 2.89Å; S60-T63 PolarHBondContact OG-N 3.38Å; S60-T63 PolarHBondContact OG-OG1 2.81Å; S60-T63 VanDerWaalsContact OG-OG1 3.05Å; S60-V64 PolarHBondContact O-N 3.22Å | ||
| 61 | R | 95.8 | Very high | 95 | Very high | 124 Ų | 124 | 58.3 Ų | 58.3 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.2 | -33.9 | 179.4 | -71.4 | -167.6 | -174.4 | -155.1 | 14.4 | 113.6 | S54 T63 V64 R65 | S54-R61 WeakPolarHBondContact OG-CG 3.01Å; S54-R61 PolarHBondContact OG-N 3.4Å; R61-T63 VanDerWaalsContact C-N 3.32Å; R61-V64 PolarHBondContact O-N 3.08Å; R61-R65 VanDerWaalsContact O-CB 3.27Å; R61-R65 WeakPolarHBondContact O-CB 3.18Å; R61-R65 PolarHBondContact O-N 3.08Å |
| 62 | I | 96.5 | Very high | 94.9 | Very high | 129 Ų | 129 | 55.2 Ų | 55.2 | 66% | 0.662 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 177.9 | -62.6 | 173.8 | 0 | 0 | 0 | 110.1 | S60 K66 | S60-I62 PolarHBondContact O-N 3.21Å; S60-I62 VanDerWaalsContact O-N 3.15Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 PolarHBondContact O-N 2.89Å |
| 63 | T | 95.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 20% | 0.202 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | L24 V59 S60 R61 K66 A67 | L24-T63 HydrophobicContact CB-CG2 3.69Å; V59-T63 HydrophobicContact CG1-CG2 3.48Å; V59-T63 VanDerWaalsContact CG1-CG2 3.48Å; S60-T63 WeakPolarHBondContact O-CB 3.25Å; S60-T63 PolarHBondContact O-N 2.89Å; S60-T63 PolarHBondContact OG-N 3.38Å; S60-T63 PolarHBondContact OG-OG1 2.81Å; S60-T63 VanDerWaalsContact OG-OG1 3.05Å; R61-T63 VanDerWaalsContact C-N 3.32Å; T63-K66 PolarHBondContact O-N 3.23Å; T63-A67 PolarHBondContact O-N 2.96Å |
| 64 | V | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | F28 E50 L53 V59 S60 R61 K66 A67 M68 | F28-V64 HydrophobicContact CE2-CG2 4.16Å; F28-V64 HydrophobicContact CZ-CG1 4.45Å; E50-V64 HydrophobicContact CB-CG1 4.14Å; E50-V64 HydrophobicContact CG-CG1 4.31Å; L53-V64 HydrophobicContact CB-CG1 3.91Å; L53-V64 HydrophobicContact CD1-CG1 4.05Å; V59-V64 HydrophobicContact CB-CG2 4.04Å; V59-V64 HydrophobicContact CG1-CG2 3.86Å; S60-V64 PolarHBondContact O-N 3.22Å; R61-V64 PolarHBondContact O-N 3.08Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 3.08Å; V64-A67 WeakPolarHBondContact O-CB 3.43Å; V64-A67 PolarHBondContact O-N 2.99Å; V64-A67 VanDerWaalsContact O-N 3.08Å; V64-M68 HydrophobicContact CG1-CG 4.22Å; V64-M68 WeakPolarHBondContact O-CG 3.31Å; V64-M68 PolarHBondContact O-N 3.33Å |
| 65 | R | 95.6 | Very high | 93.4 | Very high | 142 Ų | 142 | 63.7 Ų | 63.7 | 54% | 0.536 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 178.6 | -171.1 | 176.5 | 77.1 | 132.8 | 5.5 | 112.1 | E50 R61 M68 Q69 | E50-R65 WeakPolarHBondContact OE1-CG 3.45Å; R61-R65 VanDerWaalsContact O-CB 3.27Å; R61-R65 WeakPolarHBondContact O-CB 3.18Å; R61-R65 PolarHBondContact O-N 3.08Å; R65-M68 PolarHBondContact O-N 2.76Å; R65-Q69 WeakPolarHBondContact O-CB 2.78Å; R65-Q69 PolarHBondContact O-N 2.9Å |
| 66 | K | 96.7 | Very high | 92.9 | Very high | 105 Ų | 105 | 57.5 Ų | 57.5 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.1 | -168.7 | 177.6 | -179.6 | 179.9 | 0 | 112.2 | Y25 I62 T63 V64 Q69 A70 | Y25-K66 HydrophobicContact CD1-CD 3.89Å; Y25-K66 HydrophobicContact CD2-CB 4.44Å; Y25-K66 HydrophobicContact CD2-CD 3.99Å; Y25-K66 HydrophobicContact CD2-CG 3.74Å; Y25-K66 HydrophobicContact CE1-CD 4.18Å; Y25-K66 HydrophobicContact CE2-CD 4.26Å; Y25-K66 HydrophobicContact CE2-CG 4.2Å; Y25-K66 HydrophobicContact CG-CB 4.35Å; Y25-K66 HydrophobicContact CG-CD 3.79Å; Y25-K66 HydrophobicContact CG-CG 3.91Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 PolarHBondContact O-N 2.89Å; T63-K66 PolarHBondContact O-N 3.23Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 3.08Å; K66-Q69 PolarHBondContact O-N 3.01Å; K66-A70 PolarHBondContact O-N 3.26Å |
| 67 | A | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y25 F28 A29 T63 V64 Q69 A70 L71 | Y25-A67 WeakPolarHBondContact O-CB 3.37Å; F28-A67 HydrophobicContact CB-CB 3.77Å; F28-A67 HydrophobicContact CD1-CB 3.8Å; F28-A67 HydrophobicContact CG-CB 3.91Å; A29-A67 HydrophobicContact CB-CB 4.5Å; T63-A67 PolarHBondContact O-N 2.96Å; V64-A67 WeakPolarHBondContact O-CB 3.43Å; V64-A67 PolarHBondContact O-N 2.99Å; V64-A67 VanDerWaalsContact O-N 3.08Å; A67-Q69 PolarHBondContact O-N 2.9Å; A67-A70 PolarHBondContact O-N 3.39Å; A67-A70 VanDerWaalsContact O-N 3.14Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.35Å |
| 68 | M | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 177 | -65.4 | -51.1 | -68 | 0 | 0 | 112.5 | L47 E50 L53 V64 R65 L71 E72 V77 T85 | L47-M68 HydrophobicContact CD1-CE 3.48Å; L47-M68 VanDerWaalsContact CD1-CE 3.48Å; L47-M68 HydrophobicContact CD1-SD 4.16Å; E50-M68 HydrophobicContact CG-CG 4.36Å; L53-M68 HydrophobicContact CD1-SD 4.23Å; V64-M68 HydrophobicContact CG1-CG 4.22Å; V64-M68 WeakPolarHBondContact O-CG 3.31Å; V64-M68 PolarHBondContact O-N 3.33Å; R65-M68 PolarHBondContact O-N 2.76Å; M68-L71 HydrophobicContact SD-CD1 4.14Å; M68-E72 WeakPolarHBondContact O-CB 3.44Å; M68-E72 PolarHBondContact O-N 2.88Å; M68-V77 HydrophobicContact CE-CG2 4.35Å; M68-T85 HydrophobicContact CE-CG2 3.26Å |
| 69 | Q | 94.5 | Very high | 92.2 | Very high | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 174.9 | -175.3 | 179.6 | -13.1 | 0 | 0 | 111.4 | R65 K66 A67 L71 E72 E73 R79 | R65-Q69 WeakPolarHBondContact O-CB 2.78Å; R65-Q69 PolarHBondContact O-N 2.9Å; K66-Q69 PolarHBondContact O-N 3.01Å; A67-Q69 PolarHBondContact O-N 2.9Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 3.34Å; Q69-E72 PolarHBondContact O-N 3.16Å; Q69-E72 VanDerWaalsContact O-N 3.16Å; Q69-E73 HydrophobicContact CG-CG 4.48Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.45Å; Q69-E73 PolarHBondContact NE2-OE1 2.83Å; Q69-E73 WeakPolarHBondContact O-CB 3.5Å; Q69-E73 WeakPolarHBondContact O-CG 3.35Å; Q69-E73 PolarHBondContact O-N 3.49Å; Q69-R79 VanDerWaalsContact N-NH2 3.17Å |
| 70 | A | 92.2 | Very high | 91.5 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K66 A67 E72 E73 E74 | K66-A70 PolarHBondContact O-N 3.26Å; A67-A70 PolarHBondContact O-N 3.39Å; A67-A70 VanDerWaalsContact O-N 3.14Å; A70-E72 VanDerWaalsContact C-N 3.32Å; A70-E72 PolarHBondContact O-N 2.93Å; A70-E73 PolarHBondContact O-N 2.97Å; A70-E74 WeakPolarHBondContact O-CB 3.43Å; A70-E74 WeakPolarHBondContact O-CG 3.48Å; A70-E74 PolarHBondContact O-N 3.23Å |
| 71 | L | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 175 | -67.2 | 178.5 | 0 | 0 | 0 | 112.3 | A29 V32 K33 A67 M68 Q69 G75 V76 V77 | A29-L71 HydrophobicContact CB-CD2 3.71Å; A29-L71 HydrophobicContact CB-CG 4Å; A29-L71 WeakPolarHBondContact O-CD2 3.2Å; V32-L71 HydrophobicContact CB-CD1 3.77Å; V32-L71 HydrophobicContact CB-CD2 4.49Å; V32-L71 HydrophobicContact CG1-CD1 3.75Å; V32-L71 HydrophobicContact CG2-CD1 3.99Å; K33-L71 HydrophobicContact CD-CD2 4.28Å; K33-L71 HydrophobicContact CG-CD2 3.79Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.35Å; M68-L71 HydrophobicContact SD-CD1 4.14Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 3.34Å; L71-G75 PolarHBondContact O-N 3.04Å; L71-V76 HydrophobicContact CB-CB 3.99Å; L71-V76 HydrophobicContact CB-CG1 4.23Å; L71-V76 HydrophobicContact CD2-CB 4Å; L71-V76 HydrophobicContact CD2-CG1 3.77Å; L71-V76 HydrophobicContact CD2-CG2 3.94Å; L71-V76 HydrophobicContact CG-CG1 4.4Å; L71-V76 WeakPolarHBondContact O-CA 3.24Å; L71-V76 VanDerWaalsContact O-CB 3.26Å; L71-V76 WeakPolarHBondContact O-CB 3.28Å; L71-V76 PolarHBondContact O-N 3.22Å; L71-V77 HydrophobicContact CB-CG1 4.34Å; L71-V77 HydrophobicContact CB-CG2 3.71Å; L71-V77 PolarHBondContact O-N 3.38Å |
| 72 | E | 91 | Very high | 89.4 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 177.6 | -176.1 | 169.8 | -147.7 | 0 | 0 | 111.8 | M68 Q69 A70 E74 G75 V77 R79 | M68-E72 WeakPolarHBondContact O-CB 3.44Å; M68-E72 PolarHBondContact O-N 2.88Å; Q69-E72 PolarHBondContact O-N 3.16Å; Q69-E72 VanDerWaalsContact O-N 3.16Å; A70-E72 VanDerWaalsContact C-N 3.32Å; A70-E72 PolarHBondContact O-N 2.93Å; E72-E74 VanDerWaalsContact C-N 3.3Å; E72-E74 PolarHBondContact O-N 3.15Å; E72-G75 PolarHBondContact O-N 2.68Å; E72-V77 HydrophobicContact CB-CG2 4.05Å; E72-R79 WeakPolarHBondContact OE1-CG 3.28Å; E72-R79 IonicContact OE1-NE 3.95Å; E72-R79 WeakPolarHBondContact OE2-CD 3.37Å; E72-R79 IonicContact OE2-CZ 3.61Å; E72-R79 IonicContact OE2-NE 2.74Å; E72-R79 PolarHBondContact OE2-NE 3Å; E72-R79 IonicContact OE2-NH2 3.75Å |
| 73 | E | 86.3 | Confident | 88.2 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | 174.6 | -74.1 | 170.2 | -171.2 | 0 | 0 | 112.1 | Q69 A70 G75 | Q69-E73 HydrophobicContact CG-CG 4.48Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.45Å; Q69-E73 PolarHBondContact NE2-OE1 2.83Å; Q69-E73 WeakPolarHBondContact O-CB 3.5Å; Q69-E73 WeakPolarHBondContact O-CG 3.35Å; Q69-E73 PolarHBondContact O-N 3.49Å; A70-E73 PolarHBondContact O-N 2.97Å; E73-G75 PolarHBondContact O-N 2.68Å |
| 74 | E | 82.6 | Confident | 87.8 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.9 | 173.7 | -69.8 | 177.3 | -146.6 | 0 | 0 | 113.2 | K33 A70 E72 V76 | K33-E74 VanDerWaalsContact CD-OE2 3.28Å; K33-E74 WeakPolarHBondContact CD-OE2 3.37Å; K33-E74 WeakPolarHBondContact CE-OE2 3.46Å; K33-E74 IonicContact NZ-OE1 3.84Å; K33-E74 PolarHBondContact NZ-OE1 2.87Å; K33-E74 IonicContact NZ-OE2 3.21Å; K33-E74 PolarHBondContact NZ-OE2 3.49Å; A70-E74 WeakPolarHBondContact O-CB 3.43Å; A70-E74 WeakPolarHBondContact O-CG 3.48Å; A70-E74 PolarHBondContact O-N 3.23Å; E72-E74 VanDerWaalsContact C-N 3.3Å; E72-E74 PolarHBondContact O-N 3.15Å; E74-V76 HydrophobicContact CB-CG2 3.87Å; E74-V76 PolarHBondContact O-N 2.86Å |
| 75 | G | 83.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 14.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L71 E72 E73 V77 N88 | L71-G75 PolarHBondContact O-N 3.04Å; E72-G75 PolarHBondContact O-N 2.68Å; E73-G75 PolarHBondContact O-N 2.68Å; G75-V77 VanDerWaalsContact C-N 3.32Å; G75-N88 VanDerWaalsContact O-CB 3.24Å; G75-N88 WeakPolarHBondContact O-CB 3.48Å; G75-N88 PolarHBondContact O-ND2 3.05Å |
| 76 | V | 86.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -66.3 | -38.3 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | V32 K33 L71 E74 N88 I90 | V32-V76 HydrophobicContact CG1-CG1 4.47Å; K33-V76 HydrophobicContact CD-CG2 3.88Å; K33-V76 HydrophobicContact CG-CG1 4.19Å; K33-V76 HydrophobicContact CG-CG2 3.82Å; L71-V76 HydrophobicContact CB-CB 3.99Å; L71-V76 HydrophobicContact CB-CG1 4.23Å; L71-V76 HydrophobicContact CD2-CB 4Å; L71-V76 HydrophobicContact CD2-CG1 3.77Å; L71-V76 HydrophobicContact CD2-CG2 3.94Å; L71-V76 HydrophobicContact CG-CG1 4.4Å; L71-V76 WeakPolarHBondContact O-CA 3.24Å; L71-V76 VanDerWaalsContact O-CB 3.26Å; L71-V76 WeakPolarHBondContact O-CB 3.28Å; L71-V76 PolarHBondContact O-N 3.22Å; E74-V76 HydrophobicContact CB-CG2 3.87Å; E74-V76 PolarHBondContact O-N 2.86Å; V76-N88 WeakPolarHBondContact O-CB 3.03Å; V76-N88 PolarHBondContact O-N 3.21Å; V76-I90 VanDerWaalsContact CA-CD1 3.43Å; V76-I90 HydrophobicContact CB-CD1 3.51Å; V76-I90 HydrophobicContact CB-CG1 4.33Å; V76-I90 HydrophobicContact CG1-CD1 3.11Å; V76-I90 HydrophobicContact CG1-CG1 4.26Å; V76-I90 HydrophobicContact CG2-CD1 3.8Å; V76-I90 HydrophobicContact CG2-CG2 4.49Å |
| 77 | V | 91.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.4 | -178 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | L47 M68 L71 E72 G75 T85 Q86 I87 N88 | L47-V77 HydrophobicContact CD1-CG1 3.91Å; M68-V77 HydrophobicContact CE-CG2 4.35Å; L71-V77 HydrophobicContact CB-CG1 4.34Å; L71-V77 HydrophobicContact CB-CG2 3.71Å; L71-V77 PolarHBondContact O-N 3.38Å; E72-V77 HydrophobicContact CB-CG2 4.05Å; G75-V77 VanDerWaalsContact C-N 3.32Å; V77-T85 HydrophobicContact CB-CG2 3.56Å; V77-T85 HydrophobicContact CG1-CG2 4.1Å; V77-T85 HydrophobicContact CG2-CG2 3.67Å; V77-Q86 CarbonylContact C-O 3.56Å; V77-Q86 WeakPolarHBondContact CA-O 3.37Å; V77-Q86 WeakPolarHBondContact CB-O 3.35Å; V77-I87 HydrophobicContact CG1-CD1 3.93Å; V77-N88 PolarHBondContact O-ND2 2.88Å |
| 78 | T | 88.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.9 | 168.1 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | Q86 N88 | T78-Q86 PolarHBondContact N-O 3.02Å; T78-Q86 PolarHBondContact O-N 3.01Å; T78-N88 WeakPolarHBondContact CB-OD1 3.32Å; T78-N88 PolarHBondContact N-OD1 3.08Å; T78-N88 PolarHBondContact OG1-ND2 3.4Å; T78-N88 PolarHBondContact OG1-OD1 3.32Å |
| 79 | R | 88.4 | Confident | 85.2 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.1 | 171.5 | -61.2 | -177.2 | -158.2 | -136.1 | 2.2 | 110.4 | E50 Q69 E72 T85 | E50-R79 IonicContact OE1-CZ 3.57Å; E50-R79 IonicContact OE1-NH1 2.67Å; E50-R79 PolarHBondContact OE1-NH1 3.04Å; E50-R79 IonicContact OE1-NH2 3.71Å; Q69-R79 VanDerWaalsContact N-NH2 3.17Å; E72-R79 WeakPolarHBondContact OE1-CG 3.28Å; E72-R79 IonicContact OE1-NE 3.95Å; E72-R79 WeakPolarHBondContact OE2-CD 3.37Å; E72-R79 IonicContact OE2-CZ 3.61Å; E72-R79 IonicContact OE2-NE 2.74Å; E72-R79 PolarHBondContact OE2-NE 3Å; E72-R79 IonicContact OE2-NH2 3.75Å; R79-T85 HydrophobicContact CG-CG2 4.11Å |
| 80 | S | 79.3 | Confident | 83.4 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.2 | 173 | -77.8 | 0 | 0 | 0 | 0 | 111 | G82 Y83 G84 | S80-G82 PolarHBondContact O-N 3.34Å; S80-Y83 PolarHBondContact O-N 2.7Å; S80-G84 PolarHBondContact N-O 3.35Å; S80-G84 PolarHBondContact O-N 2.69Å |
| 81 | R | 72.6 | Confident | 81.3 | Confident | 259 Ų | 259 | 63.8 Ų | 63.8 | 98% | 0.977 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 121.3 | 174.8 | -89.2 | -174.4 | 168.6 | -179.2 | -2.1 | 109.5 | Y83 | R81-Y83 VanDerWaalsContact C-N 3.35Å; R81-Y83 PolarHBondContact O-N 2.82Å |
| 82 | G | 74.5 | Confident | 79 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 90% | 0.897 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -18.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S80 | S80-G82 PolarHBondContact O-N 3.34Š|
| 83 | Y | 73 | Confident | 76.7 | Confident | 188 Ų | 188 | 65.5 Ų | 65.5 | 74% | 0.737 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -15.4 | -178.1 | -76.9 | -87.5 | 0 | 0 | 0 | 114 | I46 S80 R81 | I46-Y83 WeakPolarHBondContact CG2-O 3.38Å; S80-Y83 PolarHBondContact O-N 2.7Å; R81-Y83 VanDerWaalsContact C-N 3.35Å; R81-Y83 PolarHBondContact O-N 2.82Å |
| 84 | G | 87 | Confident | 74.4 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.4 | -153.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S80 | S80-G84 PolarHBondContact N-O 3.35Å; S80-G84 PolarHBondContact O-N 2.69Å |
| 85 | T | 92.5 | Very high | 72.6 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.9 | -177.8 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | I46 L47 M68 V77 R79 | I46-T85 CarbonylContact C-O 3.59Å; I46-T85 WeakPolarHBondContact CA-O 3.36Å; L47-T85 HydrophobicContact CD1-CG2 4.44Å; L47-T85 PolarHBondContact N-O 2.86Å; M68-T85 HydrophobicContact CE-CG2 3.26Å; V77-T85 HydrophobicContact CB-CG2 3.56Å; V77-T85 HydrophobicContact CG1-CG2 4.1Å; V77-T85 HydrophobicContact CG2-CG2 3.67Å; R79-T85 HydrophobicContact CG-CG2 4.11Å |
| 86 | Q | 92.4 | Very high | 70.3 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.4 | -175.8 | -175.7 | 174.9 | -25.6 | 0 | 0 | 110.9 | N45 I46 V77 T78 N88 | N45-Q86 CarbonylContact O-C 3.57Å; N45-Q86 WeakPolarHBondContact O-CA 2.75Å; I46-Q86 HydrophobicContact CD1-CB 3.65Å; I46-Q86 HydrophobicContact CD1-CG 3.87Å; V77-Q86 CarbonylContact C-O 3.56Å; V77-Q86 WeakPolarHBondContact CA-O 3.37Å; V77-Q86 WeakPolarHBondContact CB-O 3.35Å; T78-Q86 PolarHBondContact N-O 3.02Å; T78-Q86 PolarHBondContact O-N 3.01Å; Q86-N88 PolarHBondContact O-N 3.36Å |
| 87 | I | 90.5 | Very high | 68.2 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.2 | 170.3 | -64.1 | -73.1 | 0 | 0 | 0 | 108.9 | V32 V36 L41 E42 H43 G44 N45 L47 V77 | V32-I87 HydrophobicContact CG1-CD1 4.08Å; V36-I87 HydrophobicContact CG1-CG2 4.26Å; V36-I87 HydrophobicContact CG2-CD1 3.8Å; V36-I87 HydrophobicContact CG2-CG2 3.68Å; L41-I87 HydrophobicContact CB-CD1 4.38Å; L41-I87 HydrophobicContact CB-CG1 4.27Å; L41-I87 HydrophobicContact CD1-CD1 3.79Å; L41-I87 HydrophobicContact CD1-CG1 4.31Å; E42-I87 WeakPolarHBondContact O-CB 3.25Å; E42-I87 WeakPolarHBondContact O-CG2 3.39Å; H43-I87 PolarHBondContact ND1-O 3.42Å; G44-I87 PolarHBondContact N-O 2.77Å; N45-I87 HydrophobicContact CB-CB 4.46Å; N45-I87 HydrophobicContact CB-CG1 4.21Å; N45-I87 PolarHBondContact O-N 2.77Å; L47-I87 HydrophobicContact CD1-CD1 3.99Å; L47-I87 HydrophobicContact CD2-CD1 4.07Å; L47-I87 HydrophobicContact CD2-CG1 4.37Å; L47-I87 HydrophobicContact CG-CD1 3.98Å; L47-I87 HydrophobicContact CG-CG1 4.21Å; V77-I87 HydrophobicContact CG1-CD1 3.93Å |
| 88 | N | 83.4 | Confident | 66 | Low | 32 Ų | 32 | 75.9 Ų | 75.9 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 163 | 173.4 | -68 | -19 | 0 | 0 | 0 | 110.3 | H43 G75 V76 V77 T78 Q86 I90 | H43-N88 VanDerWaalsContact ND1-C 3.34Å; G75-N88 VanDerWaalsContact O-CB 3.24Å; G75-N88 WeakPolarHBondContact O-CB 3.48Å; G75-N88 PolarHBondContact O-ND2 3.05Å; V76-N88 WeakPolarHBondContact O-CB 3.03Å; V76-N88 PolarHBondContact O-N 3.21Å; V77-N88 PolarHBondContact O-ND2 2.88Å; T78-N88 WeakPolarHBondContact CB-OD1 3.32Å; T78-N88 PolarHBondContact N-OD1 3.08Å; T78-N88 PolarHBondContact OG1-ND2 3.4Å; T78-N88 PolarHBondContact OG1-OD1 3.32Å; Q86-N88 PolarHBondContact O-N 3.36Å; N88-I90 WeakPolarHBondContact O-CG1 3.19Å; N88-I90 PolarHBondContact O-N 2.89Å |
| 89 | N | 66.5 | Low | 64.5 | Low | 51 Ų | 51 | 79.3 Ų | 79.3 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | trans | -77 | 81.6 | 170.5 | -160.5 | 1.6 | 0 | 0 | 0 | 108.6 | H43 F91 V154 | H43-N89 HydrophobicContact CB-CB 4.05Å; H43-N89 PolarHBondContact ND1-N 3.09Å; N89-F91 VanDerWaalsContact C-N 3.29Å; N89-F91 PolarHBondContact O-N 3.24Å; N89-F91 VanDerWaalsContact O-N 3.08Å; N89-V154 WeakPolarHBondContact ND2-CA 3.33Å; N89-V154 VanDerWaalsContact ND2-CB 3.27Å; N89-V154 WeakPolarHBondContact ND2-CB 3.03Å; N89-V154 WeakPolarHBondContact ND2-CG1 3.45Å | ||
| 90 | I | 56.1 | Low | 63.5 | Low | 32 Ų | 32 | 75.6 Ų | 75.6 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | trans | -81.8 | 87 | 173.8 | -9.3 | 162.6 | 0 | 0 | 0 | 106 | V36 V76 N88 E92 | V36-I90 HydrophobicContact CB-CD1 3.98Å; V36-I90 HydrophobicContact CG1-CD1 3.68Å; V36-I90 HydrophobicContact CG1-CG1 3.98Å; V36-I90 HydrophobicContact CG2-CD1 3.98Å; V76-I90 VanDerWaalsContact CA-CD1 3.43Å; V76-I90 HydrophobicContact CB-CD1 3.51Å; V76-I90 HydrophobicContact CB-CG1 4.33Å; V76-I90 HydrophobicContact CG1-CD1 3.11Å; V76-I90 HydrophobicContact CG1-CG1 4.26Å; V76-I90 HydrophobicContact CG2-CD1 3.8Å; V76-I90 HydrophobicContact CG2-CG2 4.49Å; N88-I90 WeakPolarHBondContact O-CG1 3.19Å; N88-I90 PolarHBondContact O-N 2.89Å; I90-E92 HydrophobicContact CG2-CG 4.01Å; I90-E92 PolarHBondContact O-N 2.67Å | ||
| 91 | F | 48.8 | Very low | 63.3 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | trans | -75.2 | 65.9 | 163.7 | -119.4 | -86.7 | 0 | 0 | 0 | 109.2 | N89 Y93 F101 V105 V149 V154 | N89-F91 VanDerWaalsContact C-N 3.29Å; N89-F91 PolarHBondContact O-N 3.24Å; N89-F91 VanDerWaalsContact O-N 3.08Å; F91-Y93 VanDerWaalsContact C-N 3.25Å; F91-Y93 HydrophobicContact CD1-CD1 4.05Å; F91-Y93 WeakPolarHBondContact O-CD1 3.27Å; F91-Y93 WeakPolarHBondContact O-CE1 3.49Å; F91-Y93 PolarHBondContact O-N 3.21Å; F91-F101 HydrophobicContact CB-CE2 4.45Å; F91-F101 AromaticContact CD1-CD2 3.52Å; F91-F101 HydrophobicContact CD1-CD2 3.52Å; F91-F101 AromaticContact CD1-CE2 3.06Å; F91-F101 HydrophobicContact CD1-CE2 3.06Å; F91-F101 AromaticContact CD1-CZ 3.91Å; F91-F101 HydrophobicContact CD1-CZ 3.91Å; F91-F101 AromaticContact CE1-CD2 3.82Å; F91-F101 HydrophobicContact CE1-CD2 3.82Å; F91-F101 AromaticContact CE1-CE2 3.31Å; F91-F101 HydrophobicContact CE1-CE2 3.31Å; F91-F101 AromaticContact CE1-CZ 3.72Å; F91-F101 HydrophobicContact CE1-CZ 3.72Å; F91-F101 HydrophobicContact CG-CD2 4.5Å; F91-F101 AromaticContact CG-CE2 3.77Å; F91-F101 HydrophobicContact CG-CE2 3.77Å; F91-F101 HydrophobicContact CZ-CE2 4.2Å; F91-F101 HydrophobicContact CZ-CZ 4.27Å; F91-V105 HydrophobicContact CE1-CG2 3.5Å; F91-V105 HydrophobicContact CZ-CG2 3.64Å; F91-V149 HydrophobicContact CD2-CG2 4.46Å; F91-V149 HydrophobicContact CE1-CG2 4.19Å; F91-V149 HydrophobicContact CE2-CB 4.44Å; F91-V149 HydrophobicContact CE2-CG2 3.57Å; F91-V149 HydrophobicContact CZ-CG2 3.42Å; F91-V149 VanDerWaalsContact CZ-CG2 3.42Å; F91-V154 HydrophobicContact CB-CB 4.5Å; F91-V154 HydrophobicContact CB-CG2 4.23Å; F91-V154 HydrophobicContact CD1-CG2 4.33Å; F91-V154 HydrophobicContact CD2-CB 3.61Å; F91-V154 HydrophobicContact CD2-CG1 4.06Å; F91-V154 HydrophobicContact CD2-CG2 3.58Å; F91-V154 HydrophobicContact CE2-CB 4.16Å; F91-V154 HydrophobicContact CE2-CG1 4.14Å; F91-V154 HydrophobicContact CE2-CG2 4.04Å; F91-V154 HydrophobicContact CG-CB 4.17Å; F91-V154 HydrophobicContact CG-CG2 3.74Å | ||
| 92 | E | 43.3 | Very low | 63.4 | Low | 73 Ų | 73 | 61.4 Ų | 61.4 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | trans | -75 | 85.2 | 163.1 | -87.2 | -171.1 | 157.3 | 0 | 0 | 107.8 | R37 I90 | R37-E92 IonicContact CZ-OE2 2.82Å; R37-E92 IonicContact NE-OE2 3.66Å; R37-E92 PolarHBondContact NE-OE2 2.82Å; R37-E92 IonicContact NH2-OE1 3.1Å; R37-E92 IonicContact NH2-OE2 3.15Å; R37-E92 PolarHBondContact NH2-OE2 2.83Å; I90-E92 HydrophobicContact CG2-CG 4.01Å; I90-E92 PolarHBondContact O-N 2.67Å | ||
| 93 | Y | 42.9 | Very low | 63.4 | Low | 38 Ų | 38 | 59.1 Ų | 59.1 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | trans | -87.6 | 118.8 | 156 | 58.3 | -76.1 | 0 | 0 | 0 | 106 | F91 L95 F101 Q104 E157 | F91-Y93 VanDerWaalsContact C-N 3.25Å; F91-Y93 HydrophobicContact CD1-CD1 4.05Å; F91-Y93 WeakPolarHBondContact O-CD1 3.27Å; F91-Y93 WeakPolarHBondContact O-CE1 3.49Å; F91-Y93 PolarHBondContact O-N 3.21Å; Y93-L95 HydrophobicContact CD2-CD2 4.45Å; Y93-L95 HydrophobicContact CE2-CD2 3.79Å; Y93-L95 HydrophobicContact CE2-CG 4.21Å; Y93-L95 PolarHBondContact O-N 3.35Å; Y93-F101 HydrophobicContact CD1-CB 4.19Å; Y93-F101 AromaticContact CD1-CD2 3.48Å; Y93-F101 HydrophobicContact CD1-CD2 3.48Å; Y93-F101 VanDerWaalsContact CD1-CD2 3.48Å; Y93-F101 HydrophobicContact CD1-CE2 4.36Å; Y93-F101 HydrophobicContact CD1-CG 4.3Å; Y93-F101 HydrophobicContact CD2-CB 3.87Å; Y93-F101 AromaticContact CE1-CD2 3.75Å; Y93-F101 HydrophobicContact CE1-CD2 3.75Å; Y93-F101 HydrophobicContact CE2-CB 4.2Å; Y93-F101 HydrophobicContact CG-CB 3.9Å; Y93-F101 HydrophobicContact CG-CD2 4.02Å; Y93-F101 HydrophobicContact CG-CG 4.43Å; Y93-Q104 VanDerWaalsContact CA-OE1 3.3Å; Y93-E157 WeakPolarHBondContact CE1-OE1 3.45Å; Y93-E157 VanDerWaalsContact OH-CG 3.24Å; Y93-E157 WeakPolarHBondContact OH-CG 3.2Å; Y93-E157 PolarHBondContact OH-OE1 3.33Å; Y93-E157 PolarHBondContact OH-OE2 2.61Å | ||
| 94 | S | 39.1 | Very low | 63.4 | Low | 45 Ų | 45 | 51.1 Ų | 51.1 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | trans | -61.2 | 111.9 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | K96 E97 Q104 | S94-K96 PolarHBondContact O-N 2.73Å; S94-K96 VanDerWaalsContact O-N 3.11Å; S94-K96 WeakPolarHBondContact OG-CA 3.48Å; S94-K96 WeakPolarHBondContact OG-CB 3.41Å; S94-K96 PolarHBondContact OG-N 3.45Å; S94-K96 VanDerWaalsContact OG-N 3.08Å; S94-E97 PolarHBondContact O-N 2.86Å; S94-E97 VanDerWaalsContact O-N 3.07Å; S94-E97 PolarHBondContact OG-N 3.03Å; S94-Q104 PolarHBondContact O-NE2 3.32Å | ||
| 95 | L | 43.5 | Very low | 63 | Low | 81 Ų | 81 | 49.4 Ų | 49.4 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.6 | 162.8 | -66.5 | 164.5 | 0 | 0 | 0 | 110.3 | Y93 Y177 L189 | Y93-L95 HydrophobicContact CD2-CD2 4.45Å; Y93-L95 HydrophobicContact CE2-CD2 3.79Å; Y93-L95 HydrophobicContact CE2-CG 4.21Å; Y93-L95 PolarHBondContact O-N 3.35Å; L95-Y177 HydrophobicContact CD2-CE2 4Å; L95-Y177 WeakPolarHBondContact CD2-OH 3.48Å; L95-L189 HydrophobicContact CB-CD2 4.2Å; L95-L189 WeakPolarHBondContact O-CD1 3.22Å |
| 96 | K | 35.6 | Very low | 62.4 | Low | 162 Ų | 162 | 52.9 Ų | 52.9 | 70% | 0.704 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.4 | 175.2 | -58.9 | 176.7 | 174.3 | -171 | 0 | 114.1 | S94 L189 | S94-K96 PolarHBondContact O-N 2.73Å; S94-K96 VanDerWaalsContact O-N 3.11Å; S94-K96 WeakPolarHBondContact OG-CA 3.48Å; S94-K96 WeakPolarHBondContact OG-CB 3.41Å; S94-K96 PolarHBondContact OG-N 3.45Å; S94-K96 VanDerWaalsContact OG-N 3.08Å; K96-L189 VanDerWaalsContact CA-CD1 3.48Å; K96-L189 HydrophobicContact CB-CD1 4.21Å; K96-L189 HydrophobicContact CB-CD2 4.42Å; K96-L189 HydrophobicContact CG-CD1 4.34Å; K96-L189 HydrophobicContact CG-CD2 3.79Å; K96-L189 HydrophobicContact CG-CG 4.45Å |
| 97 | E | 41.9 | Very low | 61.5 | Low | 112 Ų | 112 | 55.5 Ų | 55.5 | 52% | 0.523 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -77.7 | 130.7 | 173.8 | -71.5 | -176.6 | 179.4 | 0 | 0 | 108.3 | S94 R99 | S94-E97 PolarHBondContact O-N 2.86Å; S94-E97 VanDerWaalsContact O-N 3.07Å; S94-E97 PolarHBondContact OG-N 3.03Å; E97-R99 CarbonylContact O-C 3.33Å; E97-R99 PolarHBondContact O-N 3.15Å |
| 98 | A | 46.5 | Very low | 60.7 | Low | 88 Ų | 88 | 61.1 Ų | 61.1 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -57.4 | -2.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R181 | A98-R181 PolarHBondContact O-NH2 3.22Š|
| 99 | R | 56.9 | Low | 60.5 | Low | 133 Ų | 133 | 63.1 Ų | 63.1 | 50% | 0.502 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -109.6 | 102.6 | 178.9 | -57.5 | -165.7 | -177.2 | 165.5 | 0.4 | 108.3 | E97 Q103 Q104 | E97-R99 CarbonylContact O-C 3.33Å; E97-R99 PolarHBondContact O-N 3.15Å; R99-Q103 VanDerWaalsContact CA-OE1 3.31Å; R99-Q103 HydrophobicContact CB-CB 3.84Å; R99-Q103 VanDerWaalsContact CB-OE1 3.24Å; R99-Q103 VanDerWaalsContact CG-OE1 3.22Å; R99-Q104 PolarHBondContact O-NE2 3Å |
| 100 | G | 66.8 | Low | 61.3 | Low | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | trans | -62.3 | 173 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S102 Q103 Q104 | G100-S102 VanDerWaalsContact C-N 3.27Å; G100-S102 PolarHBondContact O-N 2.9Å; G100-Q103 PolarHBondContact O-N 2.82Å; G100-Q104 PolarHBondContact O-N 2.83Å | ||
| 101 | F | 75 | Confident | 62.7 | Low | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -38.3 | -53.6 | -176.8 | 176 | -75.2 | 0 | 0 | 0 | 113.1 | F91 Y93 Q103 Q104 V105 P112 R147 V149 V154 | F91-F101 HydrophobicContact CB-CE2 4.45Å; F91-F101 AromaticContact CD1-CD2 3.52Å; F91-F101 HydrophobicContact CD1-CD2 3.52Å; F91-F101 AromaticContact CD1-CE2 3.06Å; F91-F101 HydrophobicContact CD1-CE2 3.06Å; F91-F101 AromaticContact CD1-CZ 3.91Å; F91-F101 HydrophobicContact CD1-CZ 3.91Å; F91-F101 AromaticContact CE1-CD2 3.82Å; F91-F101 HydrophobicContact CE1-CD2 3.82Å; F91-F101 AromaticContact CE1-CE2 3.31Å; F91-F101 HydrophobicContact CE1-CE2 3.31Å; F91-F101 AromaticContact CE1-CZ 3.72Å; F91-F101 HydrophobicContact CE1-CZ 3.72Å; F91-F101 HydrophobicContact CG-CD2 4.5Å; F91-F101 AromaticContact CG-CE2 3.77Å; F91-F101 HydrophobicContact CG-CE2 3.77Å; F91-F101 HydrophobicContact CZ-CE2 4.2Å; F91-F101 HydrophobicContact CZ-CZ 4.27Å; Y93-F101 HydrophobicContact CD1-CB 4.19Å; Y93-F101 AromaticContact CD1-CD2 3.48Å; Y93-F101 HydrophobicContact CD1-CD2 3.48Å; Y93-F101 VanDerWaalsContact CD1-CD2 3.48Å; Y93-F101 HydrophobicContact CD1-CE2 4.36Å; Y93-F101 HydrophobicContact CD1-CG 4.3Å; Y93-F101 HydrophobicContact CD2-CB 3.87Å; Y93-F101 AromaticContact CE1-CD2 3.75Å; Y93-F101 HydrophobicContact CE1-CD2 3.75Å; Y93-F101 HydrophobicContact CE2-CB 4.2Å; Y93-F101 HydrophobicContact CG-CB 3.9Å; Y93-F101 HydrophobicContact CG-CD2 4.02Å; Y93-F101 HydrophobicContact CG-CG 4.43Å; F101-Q103 PolarHBondContact O-N 3.36Å; F101-Q104 PolarHBondContact O-N 2.94Å; F101-V105 HydrophobicContact CD1-CG2 3.69Å; F101-V105 HydrophobicContact CE1-CB 4.42Å; F101-V105 HydrophobicContact CE1-CG2 3.37Å; F101-V105 HydrophobicContact CE2-CG2 4.31Å; F101-V105 HydrophobicContact CG-CG2 4.34Å; F101-V105 HydrophobicContact CZ-CG2 3.67Å; F101-V105 WeakPolarHBondContact O-CG2 3.48Å; F101-V105 PolarHBondContact O-N 3.02Å; F101-P112 HydrophobicContact CD1-CB 4.19Å; F101-P112 HydrophobicContact CE1-CB 3.89Å; F101-R147 HydrophobicContact CD2-CB 4.16Å; F101-R147 HydrophobicContact CD2-CG 3.88Å; F101-R147 HydrophobicContact CE1-CB 3.94Å; F101-R147 HydrophobicContact CE1-CG 4.35Å; F101-R147 VanDerWaalsContact CE1-NE 3.34Å; F101-R147 HydrophobicContact CE2-CB 3.5Å; F101-R147 VanDerWaalsContact CE2-CB 3.5Å; F101-R147 HydrophobicContact CE2-CG 3.73Å; F101-R147 HydrophobicContact CG-CG 4.31Å; F101-R147 HydrophobicContact CZ-CB 3.38Å; F101-R147 HydrophobicContact CZ-CG 4Å; F101-V149 HydrophobicContact CE1-CG2 4.28Å; F101-V149 HydrophobicContact CZ-CG2 3.67Å; F101-V154 HydrophobicContact CE2-CG2 3.68Å; F101-V154 HydrophobicContact CZ-CG2 3.63Å |
| 102 | S | 75.3 | Confident | 64.6 | Low | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -40.3 | -173.8 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | G100 V106 R147 | G100-S102 VanDerWaalsContact C-N 3.27Å; G100-S102 PolarHBondContact O-N 2.9Å; S102-V106 VanDerWaalsContact O-CG2 3.27Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.06Å; S102-V106 VanDerWaalsContact O-N 3.1Å; S102-R147 PolarHBondContact OG-NH2 3.05Å |
| 103 | Q | 74.3 | Confident | 66.8 | Low | 39 Ų | 39 | 69.1 Ų | 69.1 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 179.4 | -71.8 | 175.9 | 20.3 | 0 | 0 | 111.6 | R99 G100 F101 V106 L107 D178 | R99-Q103 VanDerWaalsContact CA-OE1 3.31Å; R99-Q103 HydrophobicContact CB-CB 3.84Å; R99-Q103 VanDerWaalsContact CB-OE1 3.24Å; R99-Q103 VanDerWaalsContact CG-OE1 3.22Å; G100-Q103 PolarHBondContact O-N 2.82Å; F101-Q103 PolarHBondContact O-N 3.36Å; Q103-V106 PolarHBondContact O-N 2.95Å; Q103-L107 WeakPolarHBondContact O-CB 3.45Å; Q103-L107 WeakPolarHBondContact O-CD1 3.25Å; Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 2.8Å; Q103-D178 PolarHBondContact NE2-OD1 2.92Å |
| 104 | Q | 73 | Confident | 69.1 | Low | 19 Ų | 19 | 68.1 Ų | 68.1 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.6 | -65.9 | -173.7 | 39.9 | 0 | 0 | 112.1 | Y93 S94 R99 G100 F101 L107 R108 | Y93-Q104 VanDerWaalsContact CA-OE1 3.3Å; S94-Q104 PolarHBondContact O-NE2 3.32Å; R99-Q104 PolarHBondContact O-NE2 3Å; G100-Q104 PolarHBondContact O-N 2.83Å; F101-Q104 PolarHBondContact O-N 2.94Å; Q104-L107 PolarHBondContact O-N 2.93Å; Q104-R108 WeakPolarHBondContact O-CG 3.41Å; Q104-R108 PolarHBondContact O-N 2.82Å |
| 105 | V | 79.3 | Confident | 71.6 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | F91 F101 L107 R108 K110 P112 V149 | F91-V105 HydrophobicContact CE1-CG2 3.5Å; F91-V105 HydrophobicContact CZ-CG2 3.64Å; F101-V105 HydrophobicContact CD1-CG2 3.69Å; F101-V105 HydrophobicContact CE1-CB 4.42Å; F101-V105 HydrophobicContact CE1-CG2 3.37Å; F101-V105 HydrophobicContact CE2-CG2 4.31Å; F101-V105 HydrophobicContact CG-CG2 4.34Å; F101-V105 HydrophobicContact CZ-CG2 3.67Å; F101-V105 WeakPolarHBondContact O-CG2 3.48Å; F101-V105 PolarHBondContact O-N 3.02Å; V105-L107 VanDerWaalsContact C-N 3.32Å; V105-L107 PolarHBondContact O-N 3.45Å; V105-R108 PolarHBondContact O-N 3.48Å; V105-R108 VanDerWaalsContact O-N 3.08Å; V105-K110 CarbonylContact C-O 3.51Å; V105-K110 HydrophobicContact CG1-CB 3.64Å; V105-K110 PolarHBondContact O-N 2.74Å; V105-K110 VanDerWaalsContact O-N 3.15Å; V105-P112 HydrophobicContact CB-CB 3.88Å; V105-P112 HydrophobicContact CB-CG 4.28Å; V105-P112 HydrophobicContact CG1-CB 3.94Å; V105-P112 HydrophobicContact CG1-CG 4.35Å; V105-P112 HydrophobicContact CG2-CB 4.27Å; V105-V149 HydrophobicContact CG1-CB 4.44Å; V105-V149 HydrophobicContact CG1-CG1 3.89Å; V105-V149 HydrophobicContact CG1-CG2 3.95Å; V105-V149 HydrophobicContact CG2-CG2 3.8Å |
| 106 | V | 80.5 | Confident | 74 | Confident | 89 Ų | 89 | 69 Ų | 69 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | S102 Q103 R108 G109 P112 | S102-V106 VanDerWaalsContact O-CG2 3.27Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.06Å; S102-V106 VanDerWaalsContact O-N 3.1Å; Q103-V106 PolarHBondContact O-N 2.95Å; V106-R108 PolarHBondContact O-N 2.82Å; V106-G109 WeakPolarHBondContact O-CA 3.23Å; V106-G109 PolarHBondContact O-N 2.67Å; V106-P112 HydrophobicContact CG2-CG 3.86Å |
| 107 | L | 72.9 | Confident | 76.8 | Confident | 115 Ų | 115 | 65.5 Ų | 65.5 | 60% | 0.602 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.8 | -25.7 | 177 | -75.1 | 166.7 | 0 | 0 | 0 | 113.1 | Q103 Q104 V105 | Q103-L107 WeakPolarHBondContact O-CB 3.45Å; Q103-L107 WeakPolarHBondContact O-CD1 3.25Å; Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 2.8Å; Q104-L107 PolarHBondContact O-N 2.93Å; V105-L107 VanDerWaalsContact C-N 3.32Å; V105-L107 PolarHBondContact O-N 3.45Å |
| 108 | R | 73.7 | Confident | 79.2 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8.8 | 173.5 | -63.7 | -179.3 | -170.5 | -167 | 7.5 | 112.9 | R37 Q104 V105 V106 K110 | R37-R108 PolarHBondContact O-NH1 3.36Å; R37-R108 PolarHBondContact O-NH2 2.83Å; Q104-R108 WeakPolarHBondContact O-CG 3.41Å; Q104-R108 PolarHBondContact O-N 2.82Å; V105-R108 PolarHBondContact O-N 3.48Å; V105-R108 VanDerWaalsContact O-N 3.08Å; V106-R108 PolarHBondContact O-N 2.82Å; R108-K110 PolarHBondContact O-N 3.21Å |
| 109 | G | 78.5 | Confident | 81.5 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 76% | 0.763 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 14.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V106 | V106-G109 WeakPolarHBondContact O-CA 3.23Å; V106-G109 PolarHBondContact O-N 2.67Å |
| 110 | K | 82.8 | Confident | 83.3 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 41% | 0.409 | 31% | 0.314 | S | S | . | . | trans | -104.5 | 164.8 | -179.3 | -61.5 | -165.4 | 174.4 | -164.1 | 0 | 111.3 | V105 R108 P112 V149 D150 | V105-K110 CarbonylContact C-O 3.51Å; V105-K110 HydrophobicContact CG1-CB 3.64Å; V105-K110 PolarHBondContact O-N 2.74Å; V105-K110 VanDerWaalsContact O-N 3.15Å; R108-K110 PolarHBondContact O-N 3.21Å; K110-P112 WeakPolarHBondContact O-CD 3.17Å; K110-V149 HydrophobicContact CB-CG1 3.69Å; K110-V149 HydrophobicContact CD-CG1 3.4Å; K110-V149 VanDerWaalsContact CD-CG1 3.4Å; K110-V149 HydrophobicContact CG-CG1 4.17Å; K110-D150 WeakPolarHBondContact CB-OD2 3.34Å; K110-D150 WeakPolarHBondContact CD-OD2 3.38Å; K110-D150 VanDerWaalsContact CG-OD2 3.3Å; K110-D150 WeakPolarHBondContact CG-OD2 3.4Å | ||
| 111 | K | 85.4 | Confident | 84.7 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | trans | -99.4 | 114.3 | 179.6 | -173.4 | -177.3 | 173.7 | -166.9 | 0 | 111.1 | V149 D150 | K111-V149 WeakPolarHBondContact O-CA 3.49Å; K111-D150 PolarHBondContact N-OD1 2.7Å; K111-D150 PolarHBondContact O-N 3.31Å | ||
| 112 | P | 88.8 | Confident | 85.8 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.3 | 170.9 | 31.4 | -33.5 | 0 | 0 | 0 | 110.6 | F101 V105 V106 K110 Y148 | F101-P112 HydrophobicContact CD1-CB 4.19Å; F101-P112 HydrophobicContact CE1-CB 3.89Å; V105-P112 HydrophobicContact CB-CB 3.88Å; V105-P112 HydrophobicContact CB-CG 4.28Å; V105-P112 HydrophobicContact CG1-CB 3.94Å; V105-P112 HydrophobicContact CG1-CG 4.35Å; V105-P112 HydrophobicContact CG2-CB 4.27Å; V106-P112 HydrophobicContact CG2-CG 3.86Å; K110-P112 WeakPolarHBondContact O-CD 3.17Å; P112-Y148 WeakPolarHBondContact CA-O 3.5Å |
| 113 | D | 90.3 | Very high | 86.8 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 167.9 | 163.8 | -160.8 | 7.1 | 0 | 0 | 0 | 110.8 | Y148 | D113-Y148 PolarHBondContact N-O 2.81Å; D113-Y148 PolarHBondContact O-N 2.93Å |
| 114 | T | 90.2 | Very high | 87.9 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 10% | 0.104 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 123.9 | -174.8 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | W116 R145 I146 R147 I174 | T114-W116 HydrophobicContact CG2-CD2 4.21Å; T114-W116 HydrophobicContact CG2-CG 4.37Å; T114-W116 HydrophobicContact CG2-CZ2 4.42Å; T114-R145 HydrophobicContact CG2-CB 3.79Å; T114-R145 HydrophobicContact CG2-CG 4.28Å; T114-I146 WeakPolarHBondContact CA-O 3.46Å; T114-R147 PolarHBondContact OG1-NE 3.02Å; T114-R147 PolarHBondContact OG1-NH1 3.03Å; T114-R147 PolarHBondContact OG1-NH2 3.2Å; T114-I174 PolarHBondContact OG1-O 2.97Å; T114-I174 VanDerWaalsContact OG1-O 3.04Å |
| 115 | L | 93.6 | Very high | 88.9 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.5 | 167.3 | -177.9 | 64.4 | 0 | 0 | 0 | 109.3 | V117 R145 I146 Y148 | L115-V117 PolarHBondContact O-N 2.81Å; L115-R145 CarbonylContact O-C 3.59Å; L115-R145 VanDerWaalsContact O-CA 3.23Å; L115-R145 WeakPolarHBondContact O-CA 3.39Å; L115-I146 HydrophobicContact CB-CB 4.34Å; L115-I146 HydrophobicContact CD2-CD1 4.41Å; L115-I146 PolarHBondContact N-O 3Å; L115-I146 PolarHBondContact O-N 3.3Å; L115-Y148 HydrophobicContact CB-CE2 3.76Å |
| 116 | W | 93.5 | Very high | 89.5 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 21% | 0.205 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115.6 | 174 | -68.2 | 104 | 0 | 0 | 0 | 110.3 | T114 K119 L143 R145 I172 G173 L176 | T114-W116 HydrophobicContact CG2-CD2 4.21Å; T114-W116 HydrophobicContact CG2-CG 4.37Å; T114-W116 HydrophobicContact CG2-CZ2 4.42Å; W116-K119 HydrophobicContact CB-CG 4.34Å; W116-K119 VanDerWaalsContact CD1-CE 3.46Å; W116-K119 HydrophobicContact CD2-CD 4.27Å; W116-K119 HydrophobicContact CD2-CG 4.3Å; W116-K119 HydrophobicContact CE3-CD 4.44Å; W116-K119 HydrophobicContact CE3-CG 4.06Å; W116-K119 HydrophobicContact CG-CD 4.35Å; W116-K119 HydrophobicContact CG-CG 4.46Å; W116-L143 HydrophobicContact CE3-CB 4.49Å; W116-L143 HydrophobicContact CH2-CD1 4.36Å; W116-L143 HydrophobicContact CZ3-CB 3.73Å; W116-L143 HydrophobicContact CZ3-CD1 4.35Å; W116-R145 HydrophobicContact CD2-CB 4.16Å; W116-R145 HydrophobicContact CE3-CB 3.67Å; W116-R145 HydrophobicContact CE3-CG 4.33Å; W116-R145 HydrophobicContact CZ3-CB 3.96Å; W116-R145 HydrophobicContact CZ3-CG 4.1Å; W116-I172 HydrophobicContact CH2-CG2 4.01Å; W116-I172 HydrophobicContact CZ2-CB 4.49Å; W116-I172 HydrophobicContact CZ2-CG2 3.46Å; W116-I172 VanDerWaalsContact CZ2-CG2 3.46Å; W116-G173 PolarHBondContact NE1-O 2.73Å; W116-L176 HydrophobicContact CH2-CB 4.37Å |
| 117 | V | 93.9 | Very high | 90 | Very high | 87 Ų | 87 | 82.5 Ų | 82.5 | 53% | 0.527 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -32.4 | 179.4 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | L115 K144 I146 | L115-V117 PolarHBondContact O-N 2.81Å; V117-K144 HydrophobicContact CB-CB 4.27Å; V117-K144 PolarHBondContact N-O 3Å; V117-I146 HydrophobicContact CG2-CD1 4.13Å; V117-I146 HydrophobicContact CG2-CG1 3.66Å |
| 118 | N | 91.7 | Very high | 90.8 | Very high | 50 Ų | 50 | 78.2 Ų | 78.2 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 136.1 | 178.5 | -159.7 | -83.8 | 0 | 0 | 0 | 110.4 | R120 L142 L143 K144 | N118-R120 VanDerWaalsContact OD1-CD 3.25Å; N118-R120 WeakPolarHBondContact OD1-CD 3.32Å; N118-R120 WeakPolarHBondContact OD1-CG 3.3Å; N118-R120 PolarHBondContact OD1-N 2.88Å; N118-L142 PolarHBondContact OD1-O 3.43Å; N118-L143 CarbonylContact O-C 3.55Å; N118-L143 WeakPolarHBondContact O-CA 3.42Å; N118-K144 HydrophobicContact CB-CB 3.76Å; N118-K144 HydrophobicContact CB-CD 4.39Å; N118-K144 HydrophobicContact CB-CG 4.12Å; N118-K144 PolarHBondContact N-O 3.43Å; N118-K144 PolarHBondContact O-N 2.85Å |
| 119 | K | 94.9 | Very high | 91.8 | Very high | 58 Ų | 58 | 72.8 Ų | 72.8 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 99.6 | 163.5 | -55.7 | -173.4 | -175.8 | 174.1 | 0 | 107.2 | W116 L143 V169 I172 | W116-K119 HydrophobicContact CB-CG 4.34Å; W116-K119 VanDerWaalsContact CD1-CE 3.46Å; W116-K119 HydrophobicContact CD2-CD 4.27Å; W116-K119 HydrophobicContact CD2-CG 4.3Å; W116-K119 HydrophobicContact CE3-CD 4.44Å; W116-K119 HydrophobicContact CE3-CG 4.06Å; W116-K119 HydrophobicContact CG-CD 4.35Å; W116-K119 HydrophobicContact CG-CG 4.46Å; K119-L143 HydrophobicContact CB-CD2 3.88Å; K119-L143 HydrophobicContact CG-CD2 3.99Å; K119-V169 HydrophobicContact CB-CG2 3.61Å; K119-V169 HydrophobicContact CD-CG2 3.53Å; K119-V169 HydrophobicContact CG-CG2 4.18Å; K119-V169 PolarHBondContact NZ-O 3.07Å; K119-I172 PolarHBondContact NZ-O 3.28Å |
| 120 | R | 95.3 | Very high | 92.4 | Very high | 134 Ų | 134 | 77 Ų | 77 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.1 | -178.7 | 77.6 | -171.7 | 173.8 | 155.8 | 1.2 | 111.9 | N118 V122 F141 L142 | N118-R120 VanDerWaalsContact OD1-CD 3.25Å; N118-R120 WeakPolarHBondContact OD1-CD 3.32Å; N118-R120 WeakPolarHBondContact OD1-CG 3.3Å; N118-R120 PolarHBondContact OD1-N 2.88Å; R120-V122 HydrophobicContact CG-CG1 3.8Å; R120-F141 CarbonylContact O-C 3.53Å; R120-F141 WeakPolarHBondContact O-CA 3.45Å; R120-L142 HydrophobicContact CG-CB 4.46Å; R120-L142 PolarHBondContact N-O 2.86Å; R120-L142 PolarHBondContact O-N 3.38Å |
| 121 | V | 96.9 | Very high | 92.5 | Very high | 70 Ų | 70 | 80.3 Ų | 80.3 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 134.2 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 109 | D139 V140 F141 | V121-D139 HydrophobicContact CG1-CB 3.72Å; V121-V140 CarbonylContact C-O 3.55Å; V121-V140 WeakPolarHBondContact CA-O 3.41Å; V121-F141 HydrophobicContact CG2-CD1 3.94Å; V121-F141 HydrophobicContact CG2-CD2 4.33Å; V121-F141 HydrophobicContact CG2-CE1 3.57Å; V121-F141 HydrophobicContact CG2-CE2 3.99Å; V121-F141 HydrophobicContact CG2-CG 4.3Å; V121-F141 HydrophobicContact CG2-CZ 3.61Å |
| 122 | V | 96.8 | Very high | 92.7 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 164 | 174.1 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | R120 V140 L142 W160 | R120-V122 HydrophobicContact CG-CG1 3.8Å; V122-V140 HydrophobicContact CG2-CG2 3.84Å; V122-V140 PolarHBondContact N-O 3.4Å; V122-V140 WeakPolarHBondContact O-CG2 3.5Å; V122-V140 PolarHBondContact O-N 3.44Å; V122-L142 HydrophobicContact CG1-CB 4.28Å; V122-L142 HydrophobicContact CG1-CD2 4.49Å; V122-L142 HydrophobicContact CG2-CB 3.94Å; V122-W160 HydrophobicContact CG2-CE3 4.31Å; V122-W160 HydrophobicContact CG2-CH2 4.14Å; V122-W160 HydrophobicContact CG2-CZ3 3.47Å; V122-W160 VanDerWaalsContact CG2-CZ3 3.47Å |
| 123 | K | 97.7 | Very high | 92.8 | Very high | 134 Ų | 134 | 78.9 Ų | 78.9 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129 | 169.2 | -63.8 | -67.5 | 172.4 | -162.9 | 0 | 109.5 | P125 G137 D139 | K123-P125 VanDerWaalsContact O-CD 3.32Å; K123-P125 WeakPolarHBondContact O-CD 3.12Å; K123-G137 WeakPolarHBondContact CD-O 3.25Å; K123-D139 WeakPolarHBondContact CE-OD1 3.24Å; K123-D139 IonicContact NZ-OD1 3.52Å; K123-D139 PolarHBondContact NZ-OD1 3.36Å; K123-D139 IonicContact NZ-OD2 2.68Å |
| 124 | C | 95.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.034 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 120 | -175.3 | -163.5 | 0 | 0 | 0 | 0 | 110.8 | A129 G137 S138 V140 | C124-A129 HydrophobicContact CB-CB 4.44Å; C124-A129 VanDerWaalsContact SG-CA 3.58Å; C124-A129 PolarHBondContact SG-N 3.38Å; C124-A129 VanDerWaalsContact SG-N 3.38Å; C124-G137 PolarHBondContact O-N 2.85Å; C124-S138 VanDerWaalsContact CB-O 3.25Å; C124-S138 WeakPolarHBondContact CB-O 3.33Å; C124-S138 PolarHBondContact N-O 3.3Å; C124-V140 HydrophobicContact CB-CB 4.44Å; C124-V140 HydrophobicContact CB-CG1 3.74Å; C124-V140 HydrophobicContact CB-CG2 3.77Å |
| 125 | P | 93.6 | Very high | 93.1 | Very high | 57 Ų | 57 | 84 Ų | 84 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 152.4 | 170.6 | -19.9 | 32.1 | 0 | 0 | 0 | 111.2 | K123 E127 V128 A129 W160 | K123-P125 VanDerWaalsContact O-CD 3.32Å; K123-P125 WeakPolarHBondContact O-CD 3.12Å; P125-E127 VanDerWaalsContact C-N 3.33Å; P125-E127 PolarHBondContact O-N 3.16Å; P125-V128 HydrophobicContact CB-CG2 4.27Å; P125-V128 HydrophobicContact CG-CG2 4.2Å; P125-V128 PolarHBondContact O-N 3.11Å; P125-V128 VanDerWaalsContact O-N 3.11Å; P125-A129 WeakPolarHBondContact O-CB 3.11Å; P125-A129 PolarHBondContact O-N 3.49Å; P125-W160 HydrophobicContact CG-CH2 3.89Å; P125-W160 HydrophobicContact CG-CZ3 4.12Å |
| 126 | E | 93.8 | Very high | 93.2 | Very high | 158 Ų | 158 | 82.1 Ų | 82.1 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.6 | -42.6 | -175 | -161.7 | 165.9 | -156.1 | 0 | 0 | 112.8 | V128 A129 Q130 A136 | E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.41Å; E126-A129 PolarHBondContact O-N 3.49Å; E126-Q130 PolarHBondContact O-N 2.91Å; E126-A136 HydrophobicContact CB-CB 4.43Å; E126-A136 HydrophobicContact CG-CB 4.27Å |
| 127 | E | 90.4 | Very high | 93.3 | Very high | 159 Ų | 159 | 81.2 Ų | 81.2 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 176.8 | -63.9 | 177 | 178 | 0 | 0 | 112.5 | P125 Q131 | P125-E127 VanDerWaalsContact C-N 3.33Å; P125-E127 PolarHBondContact O-N 3.16Å; E127-Q131 PolarHBondContact O-N 3.36Å |
| 128 | V | 90.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 78.7 Ų | 78.7 | 15% | 0.152 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.7 | -39.5 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | P125 E126 Q130 Q131 L132 W160 | P125-V128 HydrophobicContact CB-CG2 4.27Å; P125-V128 HydrophobicContact CG-CG2 4.2Å; P125-V128 PolarHBondContact O-N 3.11Å; P125-V128 VanDerWaalsContact O-N 3.11Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.41Å; V128-Q130 VanDerWaalsContact C-N 3.26Å; V128-Q130 PolarHBondContact O-N 3.28Å; V128-Q131 PolarHBondContact O-N 3.08Å; V128-Q131 VanDerWaalsContact O-N 3.16Å; V128-L132 HydrophobicContact CG1-CD1 3.74Å; V128-L132 HydrophobicContact CG1-CG 4.16Å; V128-L132 WeakPolarHBondContact O-CB 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.31Å; V128-L132 PolarHBondContact O-N 3.06Å; V128-W160 HydrophobicContact CG1-CB 3.74Å; V128-W160 HydrophobicContact CG1-CD2 3.82Å; V128-W160 HydrophobicContact CG1-CE3 3.95Å; V128-W160 HydrophobicContact CG1-CG 3.76Å; V128-W160 HydrophobicContact CG2-CD2 4.18Å; V128-W160 HydrophobicContact CG2-CE3 4.47Å; V128-W160 HydrophobicContact CG2-CZ2 4.43Å |
| 129 | A | 93.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C124 P125 E126 Q131 L132 A133 V134 A136 | C124-A129 HydrophobicContact CB-CB 4.44Å; C124-A129 VanDerWaalsContact SG-CA 3.58Å; C124-A129 PolarHBondContact SG-N 3.38Å; C124-A129 VanDerWaalsContact SG-N 3.38Å; P125-A129 WeakPolarHBondContact O-CB 3.11Å; P125-A129 PolarHBondContact O-N 3.49Å; E126-A129 PolarHBondContact O-N 3.49Å; A129-Q131 PolarHBondContact O-N 2.97Å; A129-L132 PolarHBondContact O-N 3.22Å; A129-A133 WeakPolarHBondContact O-CA 3.28Å; A129-A133 PolarHBondContact O-N 2.92Å; A129-V134 HydrophobicContact CB-CG2 4.07Å; A129-V134 PolarHBondContact O-N 3.01Å; A129-A136 HydrophobicContact CB-CB 4.29Å |
| 130 | Q | 91 | Very high | 93.8 | Very high | 162 Ų | 162 | 77.4 Ų | 77.4 | 76% | 0.757 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 176.8 | -153.9 | 174.7 | 29.1 | 0 | 0 | 112.2 | E126 V128 A133 | E126-Q130 PolarHBondContact O-N 2.91Å; V128-Q130 VanDerWaalsContact C-N 3.26Å; V128-Q130 PolarHBondContact O-N 3.28Å; Q130-A133 PolarHBondContact O-N 3.47Å |
| 131 | Q | 86.2 | Confident | 93.8 | Very high | 165 Ų | 165 | 72.1 Ų | 72.1 | 77% | 0.771 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.2 | -39 | 176.6 | -66.9 | -171.4 | 23.6 | 0 | 0 | 112.7 | E127 V128 A129 A133 | E127-Q131 PolarHBondContact O-N 3.36Å; V128-Q131 PolarHBondContact O-N 3.08Å; V128-Q131 VanDerWaalsContact O-N 3.16Å; A129-Q131 PolarHBondContact O-N 2.97Å; Q131-A133 VanDerWaalsContact C-N 3.27Å; Q131-A133 PolarHBondContact O-N 2.8Å |
| 132 | L | 88.4 | Confident | 93.7 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 29% | 0.293 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80.3 | -6.5 | 178.6 | -69.2 | 180 | 0 | 0 | 0 | 113.7 | V128 A129 V134 V140 W160 P162 | V128-L132 HydrophobicContact CG1-CD1 3.74Å; V128-L132 HydrophobicContact CG1-CG 4.16Å; V128-L132 WeakPolarHBondContact O-CB 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.31Å; V128-L132 PolarHBondContact O-N 3.06Å; A129-L132 PolarHBondContact O-N 3.22Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 HydrophobicContact CB-CG1 4.31Å; L132-V134 HydrophobicContact CB-CG2 3.98Å; L132-V134 PolarHBondContact O-N 3.18Å; L132-V140 HydrophobicContact CD1-CG1 4.09Å; L132-W160 HydrophobicContact CD1-CB 4.13Å; L132-P162 HydrophobicContact CD1-CG 4.4Å |
| 133 | A | 90.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 55% | 0.554 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 43.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A129 Q130 Q131 | A129-A133 WeakPolarHBondContact O-CA 3.28Å; A129-A133 PolarHBondContact O-N 2.92Å; Q130-A133 PolarHBondContact O-N 3.47Å; Q131-A133 VanDerWaalsContact C-N 3.27Å; Q131-A133 PolarHBondContact O-N 2.8Å |
| 134 | V | 92.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 24% | 0.242 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -118.6 | 169.3 | 174 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | A129 L132 P162 | A129-V134 HydrophobicContact CB-CG2 4.07Å; A129-V134 PolarHBondContact O-N 3.01Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 HydrophobicContact CB-CG1 4.31Å; L132-V134 HydrophobicContact CB-CG2 3.98Å; L132-V134 PolarHBondContact O-N 3.18Å; V134-P162 HydrophobicContact CG1-CB 4.48Å; V134-P162 HydrophobicContact CG1-CG 4.12Å |
| 135 | E | 95.2 | Very high | 93.1 | Very high | 159 Ų | 159 | 65.1 Ų | 65.1 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | trans | -71.2 | 140.9 | 175.4 | -168.3 | 177.8 | 178.4 | 0 | 0 | 110.8 | G137 S138 | E135-G137 PolarHBondContact O-N 2.85Å; E135-S138 PolarHBondContact N-OG 3.04Å; E135-S138 WeakPolarHBondContact O-CB 2.95Å; E135-S138 PolarHBondContact O-N 3.41Å; E135-S138 PolarHBondContact O-OG 3.15Å | ||
| 136 | A | 95.1 | Very high | 93 | Very high | 52 Ų | 52 | 64 Ų | 64 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E126 A129 S138 | E126-A136 HydrophobicContact CB-CB 4.43Å; E126-A136 HydrophobicContact CG-CB 4.27Å; A129-A136 HydrophobicContact CB-CB 4.29Å; A136-S138 VanDerWaalsContact C-N 3.27Å; A136-S138 PolarHBondContact O-N 2.86Å |
| 137 | G | 95.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 1.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K123 C124 E135 | K123-G137 WeakPolarHBondContact CD-O 3.25Å; C124-G137 PolarHBondContact O-N 2.85Å; E135-G137 PolarHBondContact O-N 2.85Å |
| 138 | S | 96.6 | Very high | 92.5 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | trans | -56.2 | 153.9 | 166.7 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | C124 E135 A136 V140 | C124-S138 VanDerWaalsContact CB-O 3.25Å; C124-S138 WeakPolarHBondContact CB-O 3.33Å; C124-S138 PolarHBondContact N-O 3.3Å; E135-S138 PolarHBondContact N-OG 3.04Å; E135-S138 WeakPolarHBondContact O-CB 2.95Å; E135-S138 PolarHBondContact O-N 3.41Å; E135-S138 PolarHBondContact O-OG 3.15Å; A136-S138 VanDerWaalsContact C-N 3.27Å; A136-S138 PolarHBondContact O-N 2.86Å; S138-V140 PolarHBondContact O-N 3.1Å | ||
| 139 | D | 97.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 51 Ų | 51 | 43% | 0.428 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.8 | 171.9 | -72.5 | -29.6 | 0 | 0 | 0 | 111 | V121 K123 A163 | V121-D139 HydrophobicContact CG1-CB 3.72Å; K123-D139 WeakPolarHBondContact CE-OD1 3.24Å; K123-D139 IonicContact NZ-OD1 3.52Å; K123-D139 PolarHBondContact NZ-OD1 3.36Å; K123-D139 IonicContact NZ-OD2 2.68Å; D139-A163 HydrophobicContact CB-CB 3.88Å; D139-A163 WeakPolarHBondContact O-CB 3.42Å; D139-A163 PolarHBondContact O-N 3.25Å |
| 140 | V | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.7 | 177 | -67.2 | 0 | 0 | 0 | 0 | 109.5 | V121 V122 C124 L132 S138 W160 V161 | V121-V140 CarbonylContact C-O 3.55Å; V121-V140 WeakPolarHBondContact CA-O 3.41Å; V122-V140 HydrophobicContact CG2-CG2 3.84Å; V122-V140 PolarHBondContact N-O 3.4Å; V122-V140 WeakPolarHBondContact O-CG2 3.5Å; V122-V140 PolarHBondContact O-N 3.44Å; C124-V140 HydrophobicContact CB-CB 4.44Å; C124-V140 HydrophobicContact CB-CG1 3.74Å; C124-V140 HydrophobicContact CB-CG2 3.77Å; L132-V140 HydrophobicContact CD1-CG1 4.09Å; S138-V140 PolarHBondContact O-N 3.1Å; V140-W160 HydrophobicContact CG2-CE3 3.66Å; V140-W160 HydrophobicContact CG2-CZ3 3.9Å; V140-V161 CarbonylContact C-O 3.58Å; V140-V161 VanDerWaalsContact CA-O 3.26Å; V140-V161 WeakPolarHBondContact CA-O 3.03Å; V140-V161 WeakPolarHBondContact CB-O 3.32Å |
| 141 | F | 95.9 | Very high | 91.8 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.8 | 164.5 | -85.4 | -77.9 | 0 | 0 | 0 | 109.9 | R120 V121 L143 W160 V161 A163 I166 V169 | R120-F141 CarbonylContact O-C 3.53Å; R120-F141 WeakPolarHBondContact O-CA 3.45Å; V121-F141 HydrophobicContact CG2-CD1 3.94Å; V121-F141 HydrophobicContact CG2-CD2 4.33Å; V121-F141 HydrophobicContact CG2-CE1 3.57Å; V121-F141 HydrophobicContact CG2-CE2 3.99Å; V121-F141 HydrophobicContact CG2-CG 4.3Å; V121-F141 HydrophobicContact CG2-CZ 3.61Å; F141-L143 HydrophobicContact CB-CD2 3.9Å; F141-L143 HydrophobicContact CB-CG 4.07Å; F141-L143 HydrophobicContact CD1-CD2 4.07Å; F141-L143 HydrophobicContact CG-CD2 4.29Å; F141-W160 WeakPolarHBondContact O-CA 3.48Å; F141-V161 HydrophobicContact CB-CB 4.39Å; F141-V161 PolarHBondContact N-O 3.42Å; F141-V161 PolarHBondContact O-N 3.08Å; F141-A163 HydrophobicContact CD2-CB 4.34Å; F141-A163 HydrophobicContact CE2-CB 4.47Å; F141-I166 HydrophobicContact CB-CD1 3.95Å; F141-I166 HydrophobicContact CD2-CB 3.73Å; F141-I166 HydrophobicContact CD2-CD1 3.67Å; F141-I166 HydrophobicContact CD2-CG1 4.22Å; F141-I166 HydrophobicContact CD2-CG2 4.12Å; F141-I166 HydrophobicContact CE2-CB 3.67Å; F141-I166 HydrophobicContact CE2-CD1 4.41Å; F141-I166 HydrophobicContact CE2-CG2 3.75Å; F141-I166 HydrophobicContact CG-CD1 3.91Å; F141-I166 HydrophobicContact CZ-CG2 4.18Å; F141-V169 HydrophobicContact CD1-CG2 4.19Å; F141-V169 HydrophobicContact CE1-CB 4Å; F141-V169 HydrophobicContact CE1-CG2 3.71Å; F141-V169 HydrophobicContact CZ-CB 4.07Å; F141-V169 HydrophobicContact CZ-CG2 4.26Å |
| 142 | L | 94.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 108 | 162.4 | 178.4 | 59 | 0 | 0 | 0 | 108.2 | N118 R120 V122 E158 W160 | N118-L142 PolarHBondContact OD1-O 3.43Å; R120-L142 HydrophobicContact CG-CB 4.46Å; R120-L142 PolarHBondContact N-O 2.86Å; R120-L142 PolarHBondContact O-N 3.38Å; V122-L142 HydrophobicContact CG1-CB 4.28Å; V122-L142 HydrophobicContact CG1-CD2 4.49Å; V122-L142 HydrophobicContact CG2-CB 3.94Å; L142-E158 HydrophobicContact CD1-CG 3.39Å; L142-W160 HydrophobicContact CB-CZ3 4.44Å; L142-W160 HydrophobicContact CD1-CD2 3.86Å; L142-W160 VanDerWaalsContact CD1-CE2 3.43Å; L142-W160 HydrophobicContact CD1-CE3 4.24Å; L142-W160 HydrophobicContact CD1-CG 4.49Å; L142-W160 HydrophobicContact CD1-CH2 3.93Å; L142-W160 HydrophobicContact CD1-CZ2 3.48Å; L142-W160 VanDerWaalsContact CD1-CZ2 3.48Å; L142-W160 HydrophobicContact CD1-CZ3 4.29Å; L142-W160 HydrophobicContact CD2-CH2 4.24Å; L142-W160 HydrophobicContact CD2-CZ2 4.37Å; L142-W160 HydrophobicContact CG-CZ2 4.46Å |
| 143 | L | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.1 | -178.2 | -51.5 | 176.5 | 0 | 0 | 0 | 109.6 | W116 N118 K119 F141 E158 S159 V161 I166 I172 L176 | W116-L143 HydrophobicContact CE3-CB 4.49Å; W116-L143 HydrophobicContact CH2-CD1 4.36Å; W116-L143 HydrophobicContact CZ3-CB 3.73Å; W116-L143 HydrophobicContact CZ3-CD1 4.35Å; N118-L143 CarbonylContact O-C 3.55Å; N118-L143 WeakPolarHBondContact O-CA 3.42Å; K119-L143 HydrophobicContact CB-CD2 3.88Å; K119-L143 HydrophobicContact CG-CD2 3.99Å; F141-L143 HydrophobicContact CB-CD2 3.9Å; F141-L143 HydrophobicContact CB-CG 4.07Å; F141-L143 HydrophobicContact CD1-CD2 4.07Å; F141-L143 HydrophobicContact CG-CD2 4.29Å; L143-E158 CarbonylContact O-C 3.46Å; L143-E158 WeakPolarHBondContact O-CA 3.42Å; L143-S159 PolarHBondContact N-O 2.91Å; L143-S159 PolarHBondContact O-N 2.87Å; L143-V161 HydrophobicContact CD1-CG2 4.02Å; L143-I166 HydrophobicContact CD1-CD1 4.05Å; L143-I172 HydrophobicContact CD1-CD1 4.42Å; L143-L176 HydrophobicContact CD1-CD1 3.84Å; L143-L176 HydrophobicContact CD1-CD2 3.92Å |
| 144 | K | 92.4 | Very high | 90.9 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.8 | 173.8 | -65.3 | -172.3 | 174.1 | -156.9 | 0 | 110.8 | V117 N118 E157 E158 | V117-K144 HydrophobicContact CB-CB 4.27Å; V117-K144 PolarHBondContact N-O 3Å; N118-K144 HydrophobicContact CB-CB 3.76Å; N118-K144 HydrophobicContact CB-CD 4.39Å; N118-K144 HydrophobicContact CB-CG 4.12Å; N118-K144 PolarHBondContact N-O 3.43Å; N118-K144 PolarHBondContact O-N 2.85Å; K144-E157 VanDerWaalsContact CA-O 3.31Å; K144-E157 WeakPolarHBondContact CA-O 3.19Å; K144-E158 WeakPolarHBondContact CE-OE2 3.38Å; K144-E158 HydrophobicContact CG-CG 4.17Å; K144-E158 IonicContact NZ-OE2 2.68Å; K144-E158 PolarHBondContact NZ-OE2 2.81Å |
| 145 | R | 92.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.7 | 179.4 | 59.8 | -177.6 | 176.9 | -116.2 | -4.1 | 112.7 | T114 L115 W116 I156 E157 | T114-R145 HydrophobicContact CG2-CB 3.79Å; T114-R145 HydrophobicContact CG2-CG 4.28Å; L115-R145 CarbonylContact O-C 3.59Å; L115-R145 VanDerWaalsContact O-CA 3.23Å; L115-R145 WeakPolarHBondContact O-CA 3.39Å; W116-R145 HydrophobicContact CD2-CB 4.16Å; W116-R145 HydrophobicContact CE3-CB 3.67Å; W116-R145 HydrophobicContact CE3-CG 4.33Å; W116-R145 HydrophobicContact CZ3-CB 3.96Å; W116-R145 HydrophobicContact CZ3-CG 4.1Å; R145-I156 CarbonylContact O-C 3.6Å; R145-I156 WeakPolarHBondContact O-CA 3.06Å; R145-E157 HydrophobicContact CG-CB 3.91Å; R145-E157 IonicContact CZ-OE2 2.67Å; R145-E157 PolarHBondContact N-O 2.87Å; R145-E157 IonicContact NE-OE2 2.7Å; R145-E157 PolarHBondContact NE-OE2 3.04Å; R145-E157 IonicContact NH2-OE2 2.74Å; R145-E157 PolarHBondContact NH2-OE2 3.42Å; R145-E157 PolarHBondContact O-N 3Å |
| 146 | I | 89.9 | Confident | 89.5 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.179 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.2 | 163.4 | -48.3 | -174 | 0 | 0 | 0 | 106.9 | T114 L115 V117 Y148 A153 S155 I156 | T114-I146 WeakPolarHBondContact CA-O 3.46Å; L115-I146 HydrophobicContact CB-CB 4.34Å; L115-I146 HydrophobicContact CD2-CD1 4.41Å; L115-I146 PolarHBondContact N-O 3Å; L115-I146 PolarHBondContact O-N 3.3Å; V117-I146 HydrophobicContact CG2-CD1 4.13Å; V117-I146 HydrophobicContact CG2-CG1 3.66Å; I146-Y148 HydrophobicContact CB-CE2 3.88Å; I146-Y148 HydrophobicContact CG2-CD2 4.28Å; I146-Y148 HydrophobicContact CG2-CE2 3.65Å; I146-A153 HydrophobicContact CG2-CB 3.94Å; I146-S155 CarbonylContact C-O 3.51Å; I146-S155 VanDerWaalsContact CA-O 3.31Å; I146-S155 WeakPolarHBondContact CA-O 3.48Å; I146-S155 WeakPolarHBondContact CG2-O 3.42Å; I146-I156 HydrophobicContact CG1-CG1 4.22Å |
| 147 | R | 86.7 | Confident | 88.9 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.8 | 171.8 | -54.4 | -60.2 | -61 | -172.9 | 11.1 | 110.4 | F101 S102 T114 V154 S155 E157 I174 | F101-R147 HydrophobicContact CD2-CB 4.16Å; F101-R147 HydrophobicContact CD2-CG 3.88Å; F101-R147 HydrophobicContact CE1-CB 3.94Å; F101-R147 HydrophobicContact CE1-CG 4.35Å; F101-R147 VanDerWaalsContact CE1-NE 3.34Å; F101-R147 HydrophobicContact CE2-CB 3.5Å; F101-R147 VanDerWaalsContact CE2-CB 3.5Å; F101-R147 HydrophobicContact CE2-CG 3.73Å; F101-R147 HydrophobicContact CG-CG 4.31Å; F101-R147 HydrophobicContact CZ-CB 3.38Å; F101-R147 HydrophobicContact CZ-CG 4Å; S102-R147 PolarHBondContact OG-NH2 3.05Å; T114-R147 PolarHBondContact OG1-NE 3.02Å; T114-R147 PolarHBondContact OG1-NH1 3.03Å; T114-R147 PolarHBondContact OG1-NH2 3.2Å; R147-V154 HydrophobicContact CB-CG2 3.93Å; R147-V154 PolarHBondContact O-N 3.26Å; R147-S155 VanDerWaalsContact CB-OG 3.28Å; R147-S155 WeakPolarHBondContact CB-OG 3.26Å; R147-S155 WeakPolarHBondContact CG-OG 3.25Å; R147-S155 PolarHBondContact N-O 3.07Å; R147-E157 WeakPolarHBondContact CD-OE1 3.43Å; R147-E157 VanDerWaalsContact CG-CD 3.5Å; R147-E157 HydrophobicContact CG-CG 4.13Å; R147-E157 WeakPolarHBondContact CG-OE1 3.45Å; R147-I174 PolarHBondContact NH1-O 3.3Å |
| 148 | Y | 87.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.4 | 175.3 | -66.6 | -100.7 | 0 | 0 | 0 | 110.7 | P112 D113 L115 I146 E151 E152 A153 | P112-Y148 WeakPolarHBondContact CA-O 3.5Å; D113-Y148 PolarHBondContact N-O 2.81Å; D113-Y148 PolarHBondContact O-N 2.93Å; L115-Y148 HydrophobicContact CB-CE2 3.76Å; I146-Y148 HydrophobicContact CB-CE2 3.88Å; I146-Y148 HydrophobicContact CG2-CD2 4.28Å; I146-Y148 HydrophobicContact CG2-CE2 3.65Å; Y148-E151 WeakPolarHBondContact CD1-O 3.44Å; Y148-E152 CarbonylContact C-O 3.58Å; Y148-E152 WeakPolarHBondContact CA-O 3.44Å; Y148-A153 HydrophobicContact CD1-CB 4.07Å; Y148-A153 HydrophobicContact CE1-CB 3.68Å |
| 149 | V | 85.5 | Confident | 88.2 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 120.3 | 168.5 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | F91 F101 V105 K110 K111 E151 E152 V154 | F91-V149 HydrophobicContact CD2-CG2 4.46Å; F91-V149 HydrophobicContact CE1-CG2 4.19Å; F91-V149 HydrophobicContact CE2-CB 4.44Å; F91-V149 HydrophobicContact CE2-CG2 3.57Å; F91-V149 HydrophobicContact CZ-CG2 3.42Å; F91-V149 VanDerWaalsContact CZ-CG2 3.42Å; F101-V149 HydrophobicContact CE1-CG2 4.28Å; F101-V149 HydrophobicContact CZ-CG2 3.67Å; V105-V149 HydrophobicContact CG1-CB 4.44Å; V105-V149 HydrophobicContact CG1-CG1 3.89Å; V105-V149 HydrophobicContact CG1-CG2 3.95Å; V105-V149 HydrophobicContact CG2-CG2 3.8Å; K110-V149 HydrophobicContact CB-CG1 3.69Å; K110-V149 HydrophobicContact CD-CG1 3.4Å; K110-V149 VanDerWaalsContact CD-CG1 3.4Å; K110-V149 HydrophobicContact CG-CG1 4.17Å; K111-V149 WeakPolarHBondContact O-CA 3.49Å; V149-E151 PolarHBondContact O-N 3.47Å; V149-E152 PolarHBondContact N-O 2.75Å; V149-E152 PolarHBondContact O-N 3Å; V149-V154 HydrophobicContact CB-CG1 3.77Å; V149-V154 HydrophobicContact CG2-CB 4.44Å; V149-V154 HydrophobicContact CG2-CG1 3.75Å; V149-V154 HydrophobicContact CG2-CG2 3.85Å |
| 150 | D | 86.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 47.6 | -178 | -56.3 | -29.9 | 0 | 0 | 0 | 111.9 | K110 K111 E152 | K110-D150 WeakPolarHBondContact CB-OD2 3.34Å; K110-D150 WeakPolarHBondContact CD-OD2 3.38Å; K110-D150 VanDerWaalsContact CG-OD2 3.3Å; K110-D150 WeakPolarHBondContact CG-OD2 3.4Å; K111-D150 PolarHBondContact N-OD1 2.7Å; K111-D150 PolarHBondContact O-N 3.31Å; D150-E152 PolarHBondContact O-N 3.46Å; D150-E152 VanDerWaalsContact O-N 3.15Å |
| 151 | E | 88 | Confident | 87.7 | Confident | 174 Ų | 174 | 48.7 Ų | 48.7 | 81% | 0.813 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | -1.2 | 179.1 | -52.9 | 178.5 | -179.3 | 0 | 0 | 115.9 | Y148 V149 | Y148-E151 WeakPolarHBondContact CD1-O 3.44Å; V149-E151 PolarHBondContact O-N 3.47Å |
| 152 | E | 82.3 | Confident | 87.6 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 54% | 0.537 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.7 | 174.2 | -164.4 | 178 | -175.4 | 0 | 0 | 111.2 | Y148 V149 D150 V154 | Y148-E152 CarbonylContact C-O 3.58Å; Y148-E152 WeakPolarHBondContact CA-O 3.44Å; V149-E152 PolarHBondContact N-O 2.75Å; V149-E152 PolarHBondContact O-N 3Å; D150-E152 PolarHBondContact O-N 3.46Å; D150-E152 VanDerWaalsContact O-N 3.15Å; E152-V154 WeakPolarHBondContact O-CG1 3.44Å; E152-V154 PolarHBondContact O-N 3.11Å |
| 153 | A | 85.5 | Confident | 87.7 | Confident | 55 Ų | 55 | 49 Ų | 49 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | I146 Y148 | I146-A153 HydrophobicContact CG2-CB 3.94Å; Y148-A153 HydrophobicContact CD1-CB 4.07Å; Y148-A153 HydrophobicContact CE1-CB 3.68Å |
| 154 | V | 78.8 | Confident | 87.6 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -27.5 | -173 | -55.5 | 0 | 0 | 0 | 0 | 114.2 | N89 F91 F101 R147 V149 E152 | N89-V154 WeakPolarHBondContact ND2-CA 3.33Å; N89-V154 VanDerWaalsContact ND2-CB 3.27Å; N89-V154 WeakPolarHBondContact ND2-CB 3.03Å; N89-V154 WeakPolarHBondContact ND2-CG1 3.45Å; F91-V154 HydrophobicContact CB-CB 4.5Å; F91-V154 HydrophobicContact CB-CG2 4.23Å; F91-V154 HydrophobicContact CD1-CG2 4.33Å; F91-V154 HydrophobicContact CD2-CB 3.61Å; F91-V154 HydrophobicContact CD2-CG1 4.06Å; F91-V154 HydrophobicContact CD2-CG2 3.58Å; F91-V154 HydrophobicContact CE2-CB 4.16Å; F91-V154 HydrophobicContact CE2-CG1 4.14Å; F91-V154 HydrophobicContact CE2-CG2 4.04Å; F91-V154 HydrophobicContact CG-CB 4.17Å; F91-V154 HydrophobicContact CG-CG2 3.74Å; F101-V154 HydrophobicContact CE2-CG2 3.68Å; F101-V154 HydrophobicContact CZ-CG2 3.63Å; R147-V154 HydrophobicContact CB-CG2 3.93Å; R147-V154 PolarHBondContact O-N 3.26Å; V149-V154 HydrophobicContact CB-CG1 3.77Å; V149-V154 HydrophobicContact CG2-CB 4.44Å; V149-V154 HydrophobicContact CG2-CG1 3.75Å; V149-V154 HydrophobicContact CG2-CG2 3.85Å; E152-V154 WeakPolarHBondContact O-CG1 3.44Å; E152-V154 PolarHBondContact O-N 3.11Å |
| 155 | S | 75.8 | Confident | 87.6 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 155.3 | -179.3 | 68.3 | 0 | 0 | 0 | 0 | 112 | I146 R147 E157 | I146-S155 CarbonylContact C-O 3.51Å; I146-S155 VanDerWaalsContact CA-O 3.31Å; I146-S155 WeakPolarHBondContact CA-O 3.48Å; I146-S155 WeakPolarHBondContact CG2-O 3.42Å; R147-S155 VanDerWaalsContact CB-OG 3.28Å; R147-S155 WeakPolarHBondContact CB-OG 3.26Å; R147-S155 WeakPolarHBondContact CG-OG 3.25Å; R147-S155 PolarHBondContact N-O 3.07Å; S155-E157 PolarHBondContact OG-OE1 3.45Å |
| 156 | I | 82.2 | Confident | 87.7 | Confident | 134 Ų | 134 | 54.1 Ų | 54.1 | 69% | 0.687 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.7 | 164.1 | -56.3 | -179 | 0 | 0 | 0 | 106.6 | R145 I146 | R145-I156 CarbonylContact O-C 3.6Å; R145-I156 WeakPolarHBondContact O-CA 3.06Å; I146-I156 HydrophobicContact CG1-CG1 4.22Å |
| 157 | E | 82.1 | Confident | 87.7 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.2 | -176.1 | -62.4 | 175.3 | -165.7 | 0 | 0 | 110.6 | Y93 K144 R145 R147 S155 | Y93-E157 WeakPolarHBondContact CE1-OE1 3.45Å; Y93-E157 VanDerWaalsContact OH-CG 3.24Å; Y93-E157 WeakPolarHBondContact OH-CG 3.2Å; Y93-E157 PolarHBondContact OH-OE1 3.33Å; Y93-E157 PolarHBondContact OH-OE2 2.61Å; K144-E157 VanDerWaalsContact CA-O 3.31Å; K144-E157 WeakPolarHBondContact CA-O 3.19Å; R145-E157 HydrophobicContact CG-CB 3.91Å; R145-E157 IonicContact CZ-OE2 2.67Å; R145-E157 PolarHBondContact N-O 2.87Å; R145-E157 IonicContact NE-OE2 2.7Å; R145-E157 PolarHBondContact NE-OE2 3.04Å; R145-E157 IonicContact NH2-OE2 2.74Å; R145-E157 PolarHBondContact NH2-OE2 3.42Å; R145-E157 PolarHBondContact O-N 3Å; R147-E157 WeakPolarHBondContact CD-OE1 3.43Å; R147-E157 VanDerWaalsContact CG-CD 3.5Å; R147-E157 HydrophobicContact CG-CG 4.13Å; R147-E157 WeakPolarHBondContact CG-OE1 3.45Å; S155-E157 PolarHBondContact OG-OE1 3.45Å |
| 158 | E | 88.6 | Confident | 88 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.1 | 168.8 | -166.7 | 178.2 | 100.2 | 0 | 0 | 107.9 | L142 L143 K144 W160 | L142-E158 HydrophobicContact CD1-CG 3.39Å; L143-E158 CarbonylContact O-C 3.46Å; L143-E158 WeakPolarHBondContact O-CA 3.42Å; K144-E158 WeakPolarHBondContact CE-OE2 3.38Å; K144-E158 HydrophobicContact CG-CG 4.17Å; K144-E158 IonicContact NZ-OE2 2.68Å; K144-E158 PolarHBondContact NZ-OE2 2.81Å; E158-W160 WeakPolarHBondContact OE1-CZ2 3.43Å; E158-W160 PolarHBondContact OE1-NE1 2.95Å |
| 159 | S | 88.8 | Confident | 88.2 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 16% | 0.161 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.9 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | L143 | L143-S159 PolarHBondContact N-O 2.91Å; L143-S159 PolarHBondContact O-N 2.87Å |
| 160 | W | 92 | Very high | 88.5 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 25% | 0.254 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.5 | 176.9 | -63.9 | 80.9 | 0 | 0 | 0 | 109 | V122 P125 V128 L132 V140 F141 L142 E158 | V122-W160 HydrophobicContact CG2-CE3 4.31Å; V122-W160 HydrophobicContact CG2-CH2 4.14Å; V122-W160 HydrophobicContact CG2-CZ3 3.47Å; V122-W160 VanDerWaalsContact CG2-CZ3 3.47Å; P125-W160 HydrophobicContact CG-CH2 3.89Å; P125-W160 HydrophobicContact CG-CZ3 4.12Å; V128-W160 HydrophobicContact CG1-CB 3.74Å; V128-W160 HydrophobicContact CG1-CD2 3.82Å; V128-W160 HydrophobicContact CG1-CE3 3.95Å; V128-W160 HydrophobicContact CG1-CG 3.76Å; V128-W160 HydrophobicContact CG2-CD2 4.18Å; V128-W160 HydrophobicContact CG2-CE3 4.47Å; V128-W160 HydrophobicContact CG2-CZ2 4.43Å; L132-W160 HydrophobicContact CD1-CB 4.13Å; V140-W160 HydrophobicContact CG2-CE3 3.66Å; V140-W160 HydrophobicContact CG2-CZ3 3.9Å; F141-W160 WeakPolarHBondContact O-CA 3.48Å; L142-W160 HydrophobicContact CB-CZ3 4.44Å; L142-W160 HydrophobicContact CD1-CD2 3.86Å; L142-W160 VanDerWaalsContact CD1-CE2 3.43Å; L142-W160 HydrophobicContact CD1-CE3 4.24Å; L142-W160 HydrophobicContact CD1-CG 4.49Å; L142-W160 HydrophobicContact CD1-CH2 3.93Å; L142-W160 HydrophobicContact CD1-CZ2 3.48Å; L142-W160 VanDerWaalsContact CD1-CZ2 3.48Å; L142-W160 HydrophobicContact CD1-CZ3 4.29Å; L142-W160 HydrophobicContact CD2-CH2 4.24Å; L142-W160 HydrophobicContact CD2-CZ2 4.37Å; L142-W160 HydrophobicContact CG-CZ2 4.46Å; E158-W160 WeakPolarHBondContact OE1-CZ2 3.43Å; E158-W160 PolarHBondContact OE1-NE1 2.95Å |
| 161 | V | 92.4 | Very high | 88.8 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.7 | -175.4 | -175 | 0 | 0 | 0 | 0 | 109.5 | V140 F141 L143 A163 L165 I166 L176 F180 | V140-V161 CarbonylContact C-O 3.58Å; V140-V161 VanDerWaalsContact CA-O 3.26Å; V140-V161 WeakPolarHBondContact CA-O 3.03Å; V140-V161 WeakPolarHBondContact CB-O 3.32Å; F141-V161 HydrophobicContact CB-CB 4.39Å; F141-V161 PolarHBondContact N-O 3.42Å; F141-V161 PolarHBondContact O-N 3.08Å; L143-V161 HydrophobicContact CD1-CG2 4.02Å; V161-A163 PolarHBondContact O-N 3.32Å; V161-L165 HydrophobicContact CG1-CB 4.02Å; V161-L165 HydrophobicContact CG1-CD1 4.36Å; V161-I166 HydrophobicContact CB-CD1 3.85Å; V161-I166 HydrophobicContact CG1-CD1 3.74Å; V161-I166 HydrophobicContact CG1-CG1 4.02Å; V161-I166 HydrophobicContact CG2-CD1 4.19Å; V161-L176 HydrophobicContact CG2-CD2 4.1Å; V161-F180 HydrophobicContact CB-CZ 4.36Å; V161-F180 HydrophobicContact CG1-CE1 3.9Å; V161-F180 HydrophobicContact CG1-CZ 3.56Å; V161-F180 HydrophobicContact CG2-CZ 3.81Å |
| 162 | P | 94.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49 | 127.5 | 169.6 | -27.4 | 34.6 | 0 | 0 | 0 | 111.8 | L132 V134 H164 L165 | L132-P162 HydrophobicContact CD1-CG 4.4Å; V134-P162 HydrophobicContact CG1-CB 4.48Å; V134-P162 HydrophobicContact CG1-CG 4.12Å; P162-H164 WeakPolarHBondContact CB-CE1 3.44Å; P162-H164 PolarHBondContact O-N 3.39Å; P162-H164 VanDerWaalsContact O-N 3.1Å; P162-L165 HydrophobicContact CB-CD1 4.16Å; P162-L165 HydrophobicContact CB-CG 4.26Å; P162-L165 HydrophobicContact CG-CD1 4.09Å; P162-L165 WeakPolarHBondContact O-CB 3.27Å; P162-L165 PolarHBondContact O-N 2.91Å |
| 163 | A | 95.2 | Very high | 89.2 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -58.7 | -32.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D139 F141 V161 L165 I166 | D139-A163 HydrophobicContact CB-CB 3.88Å; D139-A163 WeakPolarHBondContact O-CB 3.42Å; D139-A163 PolarHBondContact O-N 3.25Å; F141-A163 HydrophobicContact CD2-CB 4.34Å; F141-A163 HydrophobicContact CE2-CB 4.47Å; V161-A163 PolarHBondContact O-N 3.32Å; A163-L165 PolarHBondContact O-N 3.35Å; A163-L165 VanDerWaalsContact O-N 3.15Å; A163-I166 PolarHBondContact O-N 3.45Å |
| 164 | H | 93 | Very high | 89.2 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -65.6 | -13.5 | 178.6 | 70 | -92.6 | 0 | 0 | 0 | 114.5 | P162 H167 | P162-H164 WeakPolarHBondContact CB-CE1 3.44Å; P162-H164 PolarHBondContact O-N 3.39Å; P162-H164 VanDerWaalsContact O-N 3.1Å; H164-H167 PolarHBondContact O-NE2 2.94Å |
| 165 | L | 92.3 | Very high | 89.4 | Confident | 46 Ų | 46 | 56 Ų | 56 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -88.4 | -9 | 177.4 | -64 | 179.9 | 0 | 0 | 0 | 113.3 | V161 P162 A163 I185 | V161-L165 HydrophobicContact CG1-CB 4.02Å; V161-L165 HydrophobicContact CG1-CD1 4.36Å; P162-L165 HydrophobicContact CB-CD1 4.16Å; P162-L165 HydrophobicContact CB-CG 4.26Å; P162-L165 HydrophobicContact CG-CD1 4.09Å; P162-L165 WeakPolarHBondContact O-CB 3.27Å; P162-L165 PolarHBondContact O-N 2.91Å; A163-L165 PolarHBondContact O-N 3.35Å; A163-L165 VanDerWaalsContact O-N 3.15Å; L165-I185 HydrophobicContact CB-CD1 4.05Å; L165-I185 HydrophobicContact CD2-CD1 4.01Å; L165-I185 HydrophobicContact CD2-CG1 4.44Å; L165-I185 HydrophobicContact CD2-CG2 4.44Å; L165-I185 VanDerWaalsContact O-CD1 3.32Å; L165-I185 WeakPolarHBondContact O-CD1 2.95Å |
| 166 | I | 93.6 | Very high | 90 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | trans | -120.3 | 101.5 | 177.7 | -64.8 | 168.4 | 0 | 0 | 0 | 107.8 | F141 L143 V161 A163 V169 I172 Y179 F180 | F141-I166 HydrophobicContact CB-CD1 3.95Å; F141-I166 HydrophobicContact CD2-CB 3.73Å; F141-I166 HydrophobicContact CD2-CD1 3.67Å; F141-I166 HydrophobicContact CD2-CG1 4.22Å; F141-I166 HydrophobicContact CD2-CG2 4.12Å; F141-I166 HydrophobicContact CE2-CB 3.67Å; F141-I166 HydrophobicContact CE2-CD1 4.41Å; F141-I166 HydrophobicContact CE2-CG2 3.75Å; F141-I166 HydrophobicContact CG-CD1 3.91Å; F141-I166 HydrophobicContact CZ-CG2 4.18Å; L143-I166 HydrophobicContact CD1-CD1 4.05Å; V161-I166 HydrophobicContact CB-CD1 3.85Å; V161-I166 HydrophobicContact CG1-CD1 3.74Å; V161-I166 HydrophobicContact CG1-CG1 4.02Å; V161-I166 HydrophobicContact CG2-CD1 4.19Å; A163-I166 PolarHBondContact O-N 3.45Å; I166-V169 HydrophobicContact CG2-CB 4.11Å; I166-I172 HydrophobicContact CD1-CD1 3.88Å; I166-I172 HydrophobicContact CG1-CD1 4.24Å; I166-I172 HydrophobicContact CG2-CD1 3.9Å; I166-Y179 HydrophobicContact CB-CE1 4.39Å; I166-Y179 HydrophobicContact CG1-CE1 3.99Å; I166-Y179 HydrophobicContact CG2-CE1 4.43Å; I166-F180 HydrophobicContact CG1-CE1 4.23Å | ||
| 167 | H | 90.8 | Very high | 90 | Very high | 150 Ų | 150 | 51.1 Ų | 51.1 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -80.1 | -32.7 | 178.6 | -59.8 | 176.3 | 0 | 0 | 0 | 112.1 | H164 Y179 | H164-H167 PolarHBondContact O-NE2 2.94Å; H167-Y179 PolarHBondContact N-OH 3.14Å |
| 168 | D | 92.6 | Very high | 90.1 | Very high | 80 Ų | 80 | 54 Ų | 54 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | trans | -140.3 | 114.4 | 177.8 | -179.9 | -1.6 | 0 | 0 | 0 | 108.3 | D170 A171 Y179 | D168-D170 VanDerWaalsContact C-N 3.34Å; D168-D170 PolarHBondContact OD1-N 3.1Å; D168-A171 HydrophobicContact CB-CB 3.92Å; D168-A171 PolarHBondContact OD1-N 3.09Å; D168-Y179 PolarHBondContact N-OH 3.27Å | ||
| 169 | V | 92 | Very high | 90.2 | Very high | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -76.5 | -24.3 | -176.5 | 68 | 0 | 0 | 0 | 0 | 112.4 | K119 F141 I166 I172 | K119-V169 HydrophobicContact CB-CG2 3.61Å; K119-V169 HydrophobicContact CD-CG2 3.53Å; K119-V169 HydrophobicContact CG-CG2 4.18Å; K119-V169 PolarHBondContact NZ-O 3.07Å; F141-V169 HydrophobicContact CD1-CG2 4.19Å; F141-V169 HydrophobicContact CE1-CB 4Å; F141-V169 HydrophobicContact CE1-CG2 3.71Å; F141-V169 HydrophobicContact CZ-CB 4.07Å; F141-V169 HydrophobicContact CZ-CG2 4.26Å; I166-V169 HydrophobicContact CG2-CB 4.11Å; V169-I172 HydrophobicContact CG2-CD1 4.28Å; V169-I172 WeakPolarHBondContact O-CB 3.49Å; V169-I172 WeakPolarHBondContact O-CG1 3.21Å; V169-I172 PolarHBondContact O-N 2.96Å |
| 170 | D | 91.5 | Very high | 90.2 | Very high | 134 Ų | 134 | 49.5 Ų | 49.5 | 72% | 0.717 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -25.4 | 179.7 | -66.9 | -37.7 | 0 | 0 | 0 | 111.4 | D168 I172 | D168-D170 VanDerWaalsContact C-N 3.34Å; D168-D170 PolarHBondContact OD1-N 3.1Å; D170-I172 PolarHBondContact O-N 2.97Å; D170-I172 VanDerWaalsContact O-N 3.16Å |
| 171 | A | 92.5 | Very high | 89.8 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D168 G173 Y179 | D168-A171 HydrophobicContact CB-CB 3.92Å; D168-A171 PolarHBondContact OD1-N 3.09Å; A171-G173 PolarHBondContact O-N 3.01Å; A171-G173 VanDerWaalsContact O-N 3.08Å; A171-Y179 HydrophobicContact CB-CD2 4.16Å; A171-Y179 HydrophobicContact CB-CE2 3.87Å |
| 172 | I | 90.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | trans | -76.4 | 97.8 | 173.7 | -47.8 | 172.7 | 0 | 0 | 0 | 109.5 | W116 K119 L143 I166 V169 D170 L176 Y179 | W116-I172 HydrophobicContact CH2-CG2 4.01Å; W116-I172 HydrophobicContact CZ2-CB 4.49Å; W116-I172 HydrophobicContact CZ2-CG2 3.46Å; W116-I172 VanDerWaalsContact CZ2-CG2 3.46Å; K119-I172 PolarHBondContact NZ-O 3.28Å; L143-I172 HydrophobicContact CD1-CD1 4.42Å; I166-I172 HydrophobicContact CD1-CD1 3.88Å; I166-I172 HydrophobicContact CG1-CD1 4.24Å; I166-I172 HydrophobicContact CG2-CD1 3.9Å; V169-I172 HydrophobicContact CG2-CD1 4.28Å; V169-I172 WeakPolarHBondContact O-CB 3.49Å; V169-I172 WeakPolarHBondContact O-CG1 3.21Å; V169-I172 PolarHBondContact O-N 2.96Å; D170-I172 PolarHBondContact O-N 2.97Å; D170-I172 VanDerWaalsContact O-N 3.16Å; I172-L176 HydrophobicContact CD1-CD1 4.07Å; I172-L176 HydrophobicContact CG2-CB 4.44Å; I172-L176 HydrophobicContact CG2-CD1 4.13Å; I172-Y179 HydrophobicContact CG1-CD1 4.06Å; I172-Y179 HydrophobicContact CG1-CD2 3.94Å; I172-Y179 HydrophobicContact CG1-CE1 4.39Å; I172-Y179 HydrophobicContact CG1-CE2 4.27Å; I172-Y179 HydrophobicContact CG1-CG 3.82Å | ||
| 173 | G | 88.4 | Confident | 89.5 | Confident | 45 Ų | 45 | 57.4 Ų | 57.4 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | trans | -73.7 | -137 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W116 A171 S175 | W116-G173 PolarHBondContact NE1-O 2.73Å; A171-G173 PolarHBondContact O-N 3.01Å; A171-G173 VanDerWaalsContact O-N 3.08Å; G173-S175 PolarHBondContact O-N 3.27Å | ||
| 174 | I | 85.1 | Confident | 89.1 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 41% | 0.41 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67.4 | -26.5 | -176.5 | -58.6 | 172.2 | 0 | 0 | 0 | 111.9 | T114 R147 | T114-I174 PolarHBondContact OG1-O 2.97Å; T114-I174 VanDerWaalsContact OG1-O 3.04Å; R147-I174 PolarHBondContact NH1-O 3.3Å |
| 175 | S | 84.5 | Confident | 88.8 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | trans | -128.2 | 115 | -172.3 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | G173 Y177 D178 Y179 | G173-S175 PolarHBondContact O-N 3.27Å; S175-Y177 PolarHBondContact O-N 2.63Å; S175-Y177 PolarHBondContact OG-N 3.03Å; S175-D178 VanDerWaalsContact CB-CG 3.48Å; S175-D178 WeakPolarHBondContact CB-OD2 3.21Å; S175-D178 PolarHBondContact O-N 2.92Å; S175-D178 VanDerWaalsContact OG-CG 3.24Å; S175-D178 PolarHBondContact OG-N 3.16Å; S175-D178 VanDerWaalsContact OG-N 3.07Å; S175-D178 PolarHBondContact OG-OD2 3.08Å; S175-D178 VanDerWaalsContact OG-OD2 3.09Å; S175-Y179 PolarHBondContact O-N 3.34Å; S175-Y179 VanDerWaalsContact O-N 3.14Å | ||
| 176 | L | 87.2 | Confident | 88.2 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.5 | -35.4 | 169.9 | 178.4 | 61.9 | 0 | 0 | 0 | 111.7 | W116 L143 V161 I172 Y179 F180 | W116-L176 HydrophobicContact CH2-CB 4.37Å; L143-L176 HydrophobicContact CD1-CD1 3.84Å; L143-L176 HydrophobicContact CD1-CD2 3.92Å; V161-L176 HydrophobicContact CG2-CD2 4.1Å; I172-L176 HydrophobicContact CD1-CD1 4.07Å; I172-L176 HydrophobicContact CG2-CB 4.44Å; I172-L176 HydrophobicContact CG2-CD1 4.13Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.46Å; L176-F180 HydrophobicContact CD1-CE1 3.92Å; L176-F180 HydrophobicContact CD1-CE2 4.01Å; L176-F180 HydrophobicContact CD1-CZ 3.65Å; L176-F180 HydrophobicContact CD2-CE2 3.97Å; L176-F180 HydrophobicContact CD2-CZ 4.11Å; L176-F180 HydrophobicContact CG-CD2 4.16Å; L176-F180 HydrophobicContact CG-CE1 4.47Å; L176-F180 HydrophobicContact CG-CE2 3.65Å; L176-F180 HydrophobicContact CG-CZ 3.82Å; L176-F180 WeakPolarHBondContact O-CG 3.38Å; L176-F180 PolarHBondContact O-N 3Å |
| 177 | Y | 82.9 | Confident | 87 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.5 | -33 | 179.7 | -74.9 | -87 | 0 | 0 | 0 | 112.8 | L95 S175 Y179 F180 R181 P187 | L95-Y177 HydrophobicContact CD2-CE2 4Å; L95-Y177 WeakPolarHBondContact CD2-OH 3.48Å; S175-Y177 PolarHBondContact O-N 2.63Å; S175-Y177 PolarHBondContact OG-N 3.03Å; Y177-Y179 VanDerWaalsContact C-N 3.34Å; Y177-F180 PolarHBondContact O-N 3.43Å; Y177-R181 WeakPolarHBondContact O-CB 3.42Å; Y177-R181 PolarHBondContact O-N 2.83Å; Y177-P187 HydrophobicContact CD1-CG 4.36Å; Y177-P187 HydrophobicContact CE1-CG 3.98Å |
| 178 | D | 84.5 | Confident | 85.8 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.1 | -36 | 174.1 | -62.1 | -28.6 | 0 | 0 | 0 | 110.3 | Q103 S175 R181 S182 | Q103-D178 PolarHBondContact NE2-OD1 2.92Å; S175-D178 VanDerWaalsContact CB-CG 3.48Å; S175-D178 WeakPolarHBondContact CB-OD2 3.21Å; S175-D178 PolarHBondContact O-N 2.92Å; S175-D178 VanDerWaalsContact OG-CG 3.24Å; S175-D178 PolarHBondContact OG-N 3.16Å; S175-D178 VanDerWaalsContact OG-N 3.07Å; S175-D178 PolarHBondContact OG-OD2 3.08Å; S175-D178 VanDerWaalsContact OG-OD2 3.09Å; D178-R181 PolarHBondContact O-N 3.05Å; D178-S182 PolarHBondContact O-N 3.3Å |
| 179 | Y | 89.8 | Confident | 83.8 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.1 | -54.3 | 168.9 | 173.9 | -95.3 | 0 | 0 | 0 | 111.2 | I166 H167 D168 A171 I172 S175 L176 Y177 R181 S182 Q183 | I166-Y179 HydrophobicContact CB-CE1 4.39Å; I166-Y179 HydrophobicContact CG1-CE1 3.99Å; I166-Y179 HydrophobicContact CG2-CE1 4.43Å; H167-Y179 PolarHBondContact N-OH 3.14Å; D168-Y179 PolarHBondContact N-OH 3.27Å; A171-Y179 HydrophobicContact CB-CD2 4.16Å; A171-Y179 HydrophobicContact CB-CE2 3.87Å; I172-Y179 HydrophobicContact CG1-CD1 4.06Å; I172-Y179 HydrophobicContact CG1-CD2 3.94Å; I172-Y179 HydrophobicContact CG1-CE1 4.39Å; I172-Y179 HydrophobicContact CG1-CE2 4.27Å; I172-Y179 HydrophobicContact CG1-CG 3.82Å; S175-Y179 PolarHBondContact O-N 3.34Å; S175-Y179 VanDerWaalsContact O-N 3.14Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.46Å; Y177-Y179 VanDerWaalsContact C-N 3.34Å; Y179-R181 VanDerWaalsContact C-N 3.29Å; Y179-R181 PolarHBondContact O-N 3.41Å; Y179-S182 WeakPolarHBondContact O-CB 3.32Å; Y179-S182 PolarHBondContact O-N 3.22Å; Y179-S182 PolarHBondContact O-OG 3.17Å; Y179-Q183 HydrophobicContact CD1-CG 4.39Å; Y179-Q183 HydrophobicContact CE1-CG 3.91Å; Y179-Q183 HydrophobicContact CE2-CG 4.05Å; Y179-Q183 WeakPolarHBondContact O-CG 3.45Å; Y179-Q183 PolarHBondContact O-N 3.15Å |
| 180 | F | 88.2 | Confident | 81.6 | Confident | 13 Ų | 13 | 80.8 Ų | 80.8 | 6% | 0.057 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 177.8 | -71 | -27.1 | 0 | 0 | 0 | 112.6 | V161 I166 L176 Y177 S182 Q183 H184 I185 P187 | V161-F180 HydrophobicContact CB-CZ 4.36Å; V161-F180 HydrophobicContact CG1-CE1 3.9Å; V161-F180 HydrophobicContact CG1-CZ 3.56Å; V161-F180 HydrophobicContact CG2-CZ 3.81Å; I166-F180 HydrophobicContact CG1-CE1 4.23Å; L176-F180 HydrophobicContact CD1-CE1 3.92Å; L176-F180 HydrophobicContact CD1-CE2 4.01Å; L176-F180 HydrophobicContact CD1-CZ 3.65Å; L176-F180 HydrophobicContact CD2-CE2 3.97Å; L176-F180 HydrophobicContact CD2-CZ 4.11Å; L176-F180 HydrophobicContact CG-CD2 4.16Å; L176-F180 HydrophobicContact CG-CE1 4.47Å; L176-F180 HydrophobicContact CG-CE2 3.65Å; L176-F180 HydrophobicContact CG-CZ 3.82Å; L176-F180 WeakPolarHBondContact O-CG 3.38Å; L176-F180 PolarHBondContact O-N 3Å; Y177-F180 PolarHBondContact O-N 3.43Å; F180-S182 VanDerWaalsContact C-N 3.32Å; F180-S182 PolarHBondContact O-N 2.9Å; F180-Q183 CarbonylContact O-C 3.53Å; F180-Q183 WeakPolarHBondContact O-CA 3.34Å; F180-Q183 PolarHBondContact O-N 3Å; F180-H184 PolarHBondContact O-N 3.05Å; F180-I185 CarbonylContact C-O 3.49Å; F180-I185 HydrophobicContact CB-CB 4Å; F180-I185 HydrophobicContact CB-CG2 4.3Å; F180-I185 HydrophobicContact CD1-CB 4.35Å; F180-I185 HydrophobicContact CD1-CD1 4.17Å; F180-I185 HydrophobicContact CD1-CG2 4.25Å; F180-I185 HydrophobicContact CG-CB 4.37Å; F180-I185 HydrophobicContact CG-CG2 4.25Å; F180-I185 PolarHBondContact O-N 3.41Å; F180-P187 HydrophobicContact CD2-CG 3.85Å; F180-P187 HydrophobicContact CE2-CG 4.27Å |
| 181 | R | 85 | Confident | 81.1 | Confident | 107 Ų | 107 | 78.2 Ų | 78.2 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.7 | -165.6 | 179.9 | -66 | -178.6 | -0.6 | 111.8 | A98 Y177 D178 Y179 Q183 H184 | A98-R181 PolarHBondContact O-NH2 3.22Å; Y177-R181 WeakPolarHBondContact O-CB 3.42Å; Y177-R181 PolarHBondContact O-N 2.83Å; D178-R181 PolarHBondContact O-N 3.05Å; Y179-R181 VanDerWaalsContact C-N 3.29Å; Y179-R181 PolarHBondContact O-N 3.41Å; R181-Q183 VanDerWaalsContact C-N 3.25Å; R181-Q183 PolarHBondContact O-N 3.45Å; R181-H184 PolarHBondContact O-N 3.08Å |
| 182 | S | 89.3 | Confident | 80.5 | Confident | 68 Ų | 68 | 79.3 Ų | 79.3 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 174.1 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | D178 Y179 F180 H184 | D178-S182 PolarHBondContact O-N 3.3Å; Y179-S182 WeakPolarHBondContact O-CB 3.32Å; Y179-S182 PolarHBondContact O-N 3.22Å; Y179-S182 PolarHBondContact O-OG 3.17Å; F180-S182 VanDerWaalsContact C-N 3.32Å; F180-S182 PolarHBondContact O-N 2.9Å; S182-H184 VanDerWaalsContact C-N 3.27Å; S182-H184 PolarHBondContact O-N 3.47Å; S182-H184 PolarHBondContact O-ND1 3.05Å; S182-H184 VanDerWaalsContact O-ND1 3.08Å |
| 183 | Q | 89.9 | Confident | 79.9 | Confident | 79 Ų | 79 | 83.6 Ų | 83.6 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6 | 175.8 | -57.8 | -51.6 | -61.7 | 0 | 0 | 113.2 | Y179 F180 R181 I185 | Y179-Q183 HydrophobicContact CD1-CG 4.39Å; Y179-Q183 HydrophobicContact CE1-CG 3.91Å; Y179-Q183 HydrophobicContact CE2-CG 4.05Å; Y179-Q183 WeakPolarHBondContact O-CG 3.45Å; Y179-Q183 PolarHBondContact O-N 3.15Å; F180-Q183 CarbonylContact O-C 3.53Å; F180-Q183 WeakPolarHBondContact O-CA 3.34Å; F180-Q183 PolarHBondContact O-N 3Å; R181-Q183 VanDerWaalsContact C-N 3.25Å; R181-Q183 PolarHBondContact O-N 3.45Å; Q183-I185 HydrophobicContact CB-CD1 3.71Å; Q183-I185 HydrophobicContact CB-CG1 4Å; Q183-I185 PolarHBondContact O-N 3.26Å |
| 184 | H | 88 | Confident | 79.4 | Confident | 148 Ų | 148 | 85.8 Ų | 85.8 | 69% | 0.685 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 28 | -178.3 | -57.5 | 50 | 0 | 0 | 0 | 113.5 | F180 R181 S182 Y186 | F180-H184 PolarHBondContact O-N 3.05Å; R181-H184 PolarHBondContact O-N 3.08Å; S182-H184 VanDerWaalsContact C-N 3.27Å; S182-H184 PolarHBondContact O-N 3.47Å; S182-H184 PolarHBondContact O-ND1 3.05Å; S182-H184 VanDerWaalsContact O-ND1 3.08Å; H184-Y186 WeakPolarHBondContact O-CD2 3.49Å |
| 185 | I | 85.5 | Confident | 79 | Confident | 36 Ų | 36 | 86.2 Ų | 86.2 | 19% | 0.185 | 40% | 0.396 | C | S | . | . | trans | -95 | 127.4 | 176.5 | -60.5 | 166.6 | 0 | 0 | 0 | 108.5 | L165 F180 Q183 | L165-I185 HydrophobicContact CB-CD1 4.05Å; L165-I185 HydrophobicContact CD2-CD1 4.01Å; L165-I185 HydrophobicContact CD2-CG1 4.44Å; L165-I185 HydrophobicContact CD2-CG2 4.44Å; L165-I185 VanDerWaalsContact O-CD1 3.32Å; L165-I185 WeakPolarHBondContact O-CD1 2.95Å; F180-I185 CarbonylContact C-O 3.49Å; F180-I185 HydrophobicContact CB-CB 4Å; F180-I185 HydrophobicContact CB-CG2 4.3Å; F180-I185 HydrophobicContact CD1-CB 4.35Å; F180-I185 HydrophobicContact CD1-CD1 4.17Å; F180-I185 HydrophobicContact CD1-CG2 4.25Å; F180-I185 HydrophobicContact CG-CB 4.37Å; F180-I185 HydrophobicContact CG-CG2 4.25Å; F180-I185 PolarHBondContact O-N 3.41Å; Q183-I185 HydrophobicContact CB-CD1 3.71Å; Q183-I185 HydrophobicContact CB-CG1 4Å; Q183-I185 PolarHBondContact O-N 3.26Å | ||
| 186 | Y | 79.3 | Confident | 78.7 | Confident | 160 Ų | 160 | 91.4 Ų | 91.4 | 63% | 0.627 | 42% | 0.419 | S | S | * | . | trans | -121.3 | 103.5 | 178.8 | -62.2 | -82.3 | 0 | 0 | 0 | 109.8 | H184 Q188 | H184-Y186 WeakPolarHBondContact O-CD2 3.49Å; Y186-Q188 PolarHBondContact O-N 3.39Å | ||
| 187 | P | 69.6 | Low | 78.1 | Confident | 67 Ų | 67 | 97.6 Ų | 97.6 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 124.2 | 176.8 | -20.4 | 31.8 | 0 | 0 | 0 | 110.2 | Y177 F180 | Y177-P187 HydrophobicContact CD1-CG 4.36Å; Y177-P187 HydrophobicContact CE1-CG 3.98Å; F180-P187 HydrophobicContact CD2-CG 3.85Å; F180-P187 HydrophobicContact CE2-CG 4.27Å |
| 188 | Q | 64.2 | Low | 77.7 | Confident | 189 Ų | 189 | 101.2 Ų | 101.2 | 88% | 0.883 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -92 | 127.3 | 170.1 | -64.1 | -172.6 | 10.1 | 0 | 0 | 108.6 | Y186 | Y186-Q188 PolarHBondContact O-N 3.39Š|
| 189 | L | 52.1 | Low | 77.1 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 123.7 | 168.7 | -59.1 | 109.9 | 0 | 0 | 0 | 108 | L95 K96 | L95-L189 HydrophobicContact CB-CD2 4.2Å; L95-L189 WeakPolarHBondContact O-CD1 3.22Å; K96-L189 VanDerWaalsContact CA-CD1 3.48Å; K96-L189 HydrophobicContact CB-CD1 4.21Å; K96-L189 HydrophobicContact CB-CD2 4.42Å; K96-L189 HydrophobicContact CG-CD1 4.34Å; K96-L189 HydrophobicContact CG-CD2 3.79Å; K96-L189 HydrophobicContact CG-CG 4.45Å |
| 190 | R | 44.6 | Very low | 76 | Confident | 274 Ų | 274 | 112.2 Ų | 112.2 | 100% | 1.034 | 51% | 0.513 | S | S | * | . | trans | -76.8 | 0 | 164.4 | -82.7 | -174.1 | 172.5 | 172.3 | -1.1 | 110.6 |
Retrieved 190 of 190 residues in 149.4 ms
(Link to these results)