| 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 | 47.2 | Very low | 78.9 | Confident | 232 Ų | 232 | 119.3 Ų | 119.3 | 100% | 1.143 | 64% | 0.641 | S | S | * | * | 0 | 91.8 | 0 | -83.7 | -176.8 | 168.4 | 0 | 0 | 105.2 | T3 | M1-T3 PolarHBondContact O-N 3.34Å; M1-T3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | D | 64.2 | Low | 79.7 | Confident | 171 Ų | 171 | 114 Ų | 114 | 91% | 0.914 | 61% | 0.605 | S | S | * | * | trans | -67.2 | 111.7 | 172.3 | -65.3 | -62.4 | 0 | 0 | 0 | 107 | F4 | D2-F4 PolarHBondContact O-N 2.8Š| ||
| 3 | T | 71 | Confident | 80.6 | Confident | 129 Ų | 129 | 108.6 Ų | 108.6 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | trans | -68.5 | 125.2 | 176.8 | 42.1 | 0 | 0 | 0 | 0 | 108.3 | M1 D5 | M1-T3 PolarHBondContact O-N 3.34Å; M1-T3 VanDerWaalsContact O-N 3.15Å; T3-D5 PolarHBondContact O-N 3.17Å | ||
| 4 | F | 78.9 | Confident | 81.4 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | trans | -55.5 | 120.3 | 172.8 | 175 | -108.4 | 0 | 0 | 0 | 110.3 | D2 V6 W12 F35 | D2-F4 PolarHBondContact O-N 2.8Å; F4-V6 HydrophobicContact CD1-CG2 4Å; F4-V6 HydrophobicContact CE1-CB 4.34Å; F4-V6 HydrophobicContact CE1-CG2 3.8Å; F4-W12 HydrophobicContact CE2-CB 4.01Å; F4-W12 AromaticContact CE2-CD1 3.79Å; F4-W12 HydrophobicContact CE2-CG 4.21Å; F4-W12 HydrophobicContact CZ-CB 4.01Å; F4-W12 AromaticContact CZ-CD1 3.47Å; F4-W12 VanDerWaalsContact CZ-CD1 3.47Å; F4-W12 AromaticContact CZ-CG 3.87Å; F4-W12 HydrophobicContact CZ-CG 3.87Å; F4-F35 AromaticContact CE1-CZ 3.85Å; F4-F35 HydrophobicContact CE1-CZ 3.85Å; F4-F35 HydrophobicContact CE2-CE1 4.44Å; F4-F35 AromaticContact CE2-CZ 3.94Å; F4-F35 HydrophobicContact CE2-CZ 3.94Å; F4-F35 HydrophobicContact CZ-CE1 4.26Å; F4-F35 HydrophobicContact CZ-CE2 4.26Å; F4-F35 AromaticContact CZ-CZ 3.45Å; F4-F35 HydrophobicContact CZ-CZ 3.45Å; F4-F35 VanDerWaalsContact CZ-CZ 3.45Å | ||
| 5 | D | 84.6 | Confident | 82 | Confident | 84 Ų | 84 | 100.3 Ų | 100.3 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | trans | -93.5 | 107.2 | 175.9 | -176.6 | 4 | 0 | 0 | 0 | 110.2 | T3 S7 D8 | T3-D5 PolarHBondContact O-N 3.17Å; D5-S7 VanDerWaalsContact CG-OG 3.23Å; D5-S7 PolarHBondContact O-N 3.08Å; D5-S7 WeakPolarHBondContact OD1-CA 3.3Å; D5-S7 WeakPolarHBondContact OD1-CB 3.44Å; D5-S7 PolarHBondContact OD1-N 2.93Å; D5-S7 PolarHBondContact OD1-OG 3.24Å; D5-S7 PolarHBondContact OD2-OG 3.27Å; D5-S7 VanDerWaalsContact OD2-OG 3.08Å; D5-D8 HydrophobicContact CB-CB 4.24Å; D5-D8 PolarHBondContact O-N 3.18Å | ||
| 6 | V | 82.1 | Confident | 82.5 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 62% | 0.618 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.9 | 177.9 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | F4 W12 | F4-V6 HydrophobicContact CD1-CG2 4Å; F4-V6 HydrophobicContact CE1-CB 4.34Å; F4-V6 HydrophobicContact CE1-CG2 3.8Å; V6-W12 PolarHBondContact O-NE1 2.66Å |
| 7 | S | 87.7 | Confident | 83 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 69% | 0.685 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23.6 | -177.7 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | D5 R9 | D5-S7 VanDerWaalsContact CG-OG 3.23Å; D5-S7 PolarHBondContact O-N 3.08Å; D5-S7 WeakPolarHBondContact OD1-CA 3.3Å; D5-S7 WeakPolarHBondContact OD1-CB 3.44Å; D5-S7 PolarHBondContact OD1-N 2.93Å; D5-S7 PolarHBondContact OD1-OG 3.24Å; D5-S7 PolarHBondContact OD2-OG 3.27Å; D5-S7 VanDerWaalsContact OD2-OG 3.08Å; S7-R9 VanDerWaalsContact C-N 3.28Å; S7-R9 PolarHBondContact O-N 2.59Å |
| 8 | D | 89.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | trans | -77.4 | 81.5 | 171.6 | -176.7 | 9.2 | 0 | 0 | 0 | 110.5 | D5 N10 S11 W12 | D5-D8 HydrophobicContact CB-CB 4.24Å; D5-D8 PolarHBondContact O-N 3.18Å; D8-N10 PolarHBondContact O-N 3.29Å; D8-N10 VanDerWaalsContact O-N 3.12Å; D8-N10 PolarHBondContact OD1-N 3.13Å; D8-S11 WeakPolarHBondContact O-CB 3.34Å; D8-S11 PolarHBondContact O-N 3.03Å; D8-S11 PolarHBondContact O-OG 2.98Å; D8-W12 PolarHBondContact O-NE1 3.26Å | ||
| 9 | R | 86.5 | Confident | 83.3 | Confident | 119 Ų | 119 | 94.2 Ų | 94.2 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.2 | -33.7 | 178.9 | -175.1 | 173.5 | -179.6 | -172.1 | 0.9 | 112.8 | S7 S11 W12 Y13 | S7-R9 VanDerWaalsContact C-N 3.28Å; S7-R9 PolarHBondContact O-N 2.59Å; R9-S11 PolarHBondContact O-N 3.12Å; R9-W12 HydrophobicContact CB-CZ2 4.11Å; R9-W12 HydrophobicContact CG-CH2 4.07Å; R9-W12 HydrophobicContact CG-CZ2 3.96Å; R9-W12 PolarHBondContact O-N 3.28Å; R9-Y13 HydrophobicContact CG-CD1 4.1Å; R9-Y13 HydrophobicContact CG-CG 4.25Å; R9-Y13 VanDerWaalsContact NE-CD1 3.3Å; R9-Y13 VanDerWaalsContact O-CB 3.24Å; R9-Y13 WeakPolarHBondContact O-CB 3.47Å; R9-Y13 PolarHBondContact O-N 3.19Å |
| 10 | N | 88.1 | Confident | 83.5 | Confident | 139 Ų | 139 | 95.7 Ų | 95.7 | 74% | 0.743 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.2 | -16.8 | -176.5 | -65.1 | -21.8 | 0 | 0 | 0 | 112.7 | D8 | D8-N10 PolarHBondContact O-N 3.29Å; D8-N10 VanDerWaalsContact O-N 3.12Å; D8-N10 PolarHBondContact OD1-N 3.13Å |
| 11 | S | 88 | Confident | 83.8 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -77.4 | -24.3 | 177.8 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | D8 R9 | D8-S11 WeakPolarHBondContact O-CB 3.34Å; D8-S11 PolarHBondContact O-N 3.03Å; D8-S11 PolarHBondContact O-OG 2.98Å; R9-S11 PolarHBondContact O-N 3.12Å |
| 12 | W | 88.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 21% | 0.212 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -129.9 | -17.2 | -173.4 | 55.6 | -99.2 | 0 | 0 | 0 | 114.5 | F4 V6 D8 R9 F35 L36 V37 | F4-W12 HydrophobicContact CE2-CB 4.01Å; F4-W12 AromaticContact CE2-CD1 3.79Å; F4-W12 HydrophobicContact CE2-CG 4.21Å; F4-W12 HydrophobicContact CZ-CB 4.01Å; F4-W12 AromaticContact CZ-CD1 3.47Å; F4-W12 VanDerWaalsContact CZ-CD1 3.47Å; F4-W12 AromaticContact CZ-CG 3.87Å; F4-W12 HydrophobicContact CZ-CG 3.87Å; V6-W12 PolarHBondContact O-NE1 2.66Å; D8-W12 PolarHBondContact O-NE1 3.26Å; R9-W12 HydrophobicContact CB-CZ2 4.11Å; R9-W12 HydrophobicContact CG-CH2 4.07Å; R9-W12 HydrophobicContact CG-CZ2 3.96Å; R9-W12 PolarHBondContact O-N 3.28Å; W12-F35 HydrophobicContact CB-CE2 4.08Å; W12-L36 WeakPolarHBondContact O-CA 3.49Å; W12-V37 HydrophobicContact CE3-CB 4.08Å; W12-V37 HydrophobicContact CE3-CG2 3.96Å; W12-V37 HydrophobicContact CZ3-CB 4.26Å; W12-V37 HydrophobicContact CZ3-CG2 4.24Å; W12-V37 PolarHBondContact O-N 2.84Å |
| 13 | Y | 91.9 | Very high | 86.8 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -106.1 | 119.5 | 177.8 | 178.5 | -112.6 | 0 | 0 | 0 | 111.5 | R9 G15 V37 D39 Y47 | R9-Y13 HydrophobicContact CG-CD1 4.1Å; R9-Y13 HydrophobicContact CG-CG 4.25Å; R9-Y13 VanDerWaalsContact NE-CD1 3.3Å; R9-Y13 VanDerWaalsContact O-CB 3.24Å; R9-Y13 WeakPolarHBondContact O-CB 3.47Å; R9-Y13 PolarHBondContact O-N 3.19Å; Y13-G15 VanDerWaalsContact CZ-CA 3.49Å; Y13-V37 WeakPolarHBondContact CA-O 3.26Å; Y13-V37 HydrophobicContact CD2-CB 4.27Å; Y13-V37 HydrophobicContact CD2-CG1 4.08Å; Y13-D39 WeakPolarHBondContact CE2-OD1 3.33Å; Y13-D39 VanDerWaalsContact OH-CG 3.28Å; Y13-D39 PolarHBondContact OH-OD1 3.06Å; Y13-D39 PolarHBondContact OH-OD2 3Å; Y13-Y47 AromaticContact CE2-CD1 3.76Å; Y13-Y47 HydrophobicContact CE2-CD1 3.76Å; Y13-Y47 AromaticContact CE2-CE1 3.6Å; Y13-Y47 HydrophobicContact CE2-CE1 3.6Å; Y13-Y47 AromaticContact CZ-CE1 3.93Å |
| 14 | F | 91.1 | Very high | 87.6 | Confident | 85 Ų | 85 | 77 Ų | 77 | 37% | 0.373 | 40% | 0.397 | S | S | . | . | trans | -105.4 | 4.2 | -173.5 | -73.7 | -107.5 | 0 | 0 | 0 | 113.1 | M17 L36 V37 | F14-M17 HydrophobicContact CB-CB 4.45Å; F14-M17 HydrophobicContact CB-CE 3.74Å; F14-M17 HydrophobicContact CB-SD 3.94Å; F14-M17 HydrophobicContact CD1-CE 3.36Å; F14-M17 HydrophobicContact CD1-SD 4.28Å; F14-M17 HydrophobicContact CE1-CE 4.27Å; F14-M17 HydrophobicContact CG-CE 3.88Å; F14-M17 HydrophobicContact CG-SD 4.29Å; F14-L36 HydrophobicContact CD2-CB 3.64Å; F14-L36 HydrophobicContact CD2-CG 4.46Å; F14-L36 HydrophobicContact CE2-CB 3.64Å; F14-L36 HydrophobicContact CE2-CD2 4.49Å; F14-V37 PolarHBondContact N-O 3.22Å | ||
| 15 | G | 91 | Very high | 88.1 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | trans | 62.1 | -143.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y13 M17 R38 D39 | Y13-G15 VanDerWaalsContact CZ-CA 3.49Å; G15-M17 PolarHBondContact O-N 3.37Å; G15-R38 CarbonylContact O-C 3.58Å; G15-R38 WeakPolarHBondContact O-CA 3.33Å; G15-R38 WeakPolarHBondContact O-CB 3.41Å; G15-D39 PolarHBondContact O-N 3.36Å | ||
| 16 | P | 90.1 | Very high | 88.2 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 71% | 0.714 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -71.5 | 98.1 | 179.6 | 27.8 | -32.1 | 0 | 0 | 0 | 110.3 | D39 | P16-D39 WeakPolarHBondContact CD-OD2 3.37Š|
| 17 | M | 89.9 | Confident | 88.4 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 14% | 0.138 | 37% | 0.371 | C | S | . | . | trans | -128.9 | 140.2 | -179 | 176.2 | -179 | -88.1 | 0 | 0 | 110 | F14 G15 D21 A22 V25 L36 R38 | F14-M17 HydrophobicContact CB-CB 4.45Å; F14-M17 HydrophobicContact CB-CE 3.74Å; F14-M17 HydrophobicContact CB-SD 3.94Å; F14-M17 HydrophobicContact CD1-CE 3.36Å; F14-M17 HydrophobicContact CD1-SD 4.28Å; F14-M17 HydrophobicContact CE1-CE 4.27Å; F14-M17 HydrophobicContact CG-CE 3.88Å; F14-M17 HydrophobicContact CG-SD 4.29Å; G15-M17 PolarHBondContact O-N 3.37Å; M17-D21 HydrophobicContact CE-CB 4.48Å; M17-D21 HydrophobicContact CG-CB 3.74Å; M17-D21 HydrophobicContact SD-CB 4.31Å; M17-A22 HydrophobicContact CG-CB 4.33Å; M17-A22 HydrophobicContact SD-CB 3.85Å; M17-V25 HydrophobicContact CE-CG2 4.37Å; M17-L36 HydrophobicContact SD-CD1 4.31Å; M17-L36 HydrophobicContact SD-CD2 4.43Å; M17-R38 HydrophobicContact CB-CB 3.94Å; M17-R38 WeakPolarHBondContact O-CD 3.44Å; M17-R38 PolarHBondContact O-NH1 3.15Å | ||
| 18 | S | 87.9 | Confident | 88.4 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | trans | -71.2 | 162.8 | 177.3 | 81.7 | 0 | 0 | 0 | 0 | 111.7 | Q20 D21 A22 | S18-Q20 PolarHBondContact O-N 2.67Å; S18-Q20 PolarHBondContact OG-N 2.88Å; S18-D21 WeakPolarHBondContact CB-OD2 3.37Å; S18-D21 PolarHBondContact N-OD2 3.07Å; S18-D21 PolarHBondContact OG-N 2.8Å; S18-D21 VanDerWaalsContact OG-N 3.08Å; S18-D21 PolarHBondContact OG-OD1 2.84Å; S18-D21 PolarHBondContact OG-OD2 3.42Å; S18-A22 WeakPolarHBondContact O-CB 3.33Å; S18-A22 PolarHBondContact O-N 2.87Å; S18-A22 VanDerWaalsContact O-N 3.17Å | ||
| 19 | R | 83.8 | Confident | 88.2 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 175.1 | -176.3 | -176 | -67.1 | 172.4 | 0.4 | 110.9 | T23 I56 | R19-T23 WeakPolarHBondContact O-CB 3.43Å; R19-T23 PolarHBondContact O-N 2.64Å; R19-T23 PolarHBondContact O-OG1 3.42Å; R19-I56 HydrophobicContact CG-CD1 3.86Å |
| 20 | Q | 87 | Confident | 88 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.4 | -53.2 | 179.9 | -68.7 | 79.6 | -5.7 | 0 | 0 | 110.2 | S18 A22 T23 E24 | S18-Q20 PolarHBondContact O-N 2.67Å; S18-Q20 PolarHBondContact OG-N 2.88Å; Q20-A22 VanDerWaalsContact C-N 3.32Å; Q20-A22 PolarHBondContact O-N 2.95Å; Q20-T23 WeakPolarHBondContact O-CA 3.46Å; Q20-T23 WeakPolarHBondContact O-CB 3.23Å; Q20-T23 PolarHBondContact O-N 2.84Å; Q20-E24 PolarHBondContact O-N 3.42Å |
| 21 | D | 90.5 | Very high | 87.8 | Confident | 75 Ų | 75 | 80.2 Ų | 80.2 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 179.9 | -52.3 | -33.8 | 0 | 0 | 0 | 111.4 | M17 S18 T23 E24 V25 | M17-D21 HydrophobicContact CE-CB 4.48Å; M17-D21 HydrophobicContact CG-CB 3.74Å; M17-D21 HydrophobicContact SD-CB 4.31Å; S18-D21 WeakPolarHBondContact CB-OD2 3.37Å; S18-D21 PolarHBondContact N-OD2 3.07Å; S18-D21 PolarHBondContact OG-N 2.8Å; S18-D21 VanDerWaalsContact OG-N 3.08Å; S18-D21 PolarHBondContact OG-OD1 2.84Å; S18-D21 PolarHBondContact OG-OD2 3.42Å; D21-T23 PolarHBondContact O-N 2.84Å; D21-E24 PolarHBondContact O-N 2.77Å; D21-V25 WeakPolarHBondContact O-CG2 3.24Å; D21-V25 PolarHBondContact O-N 3.19Å |
| 22 | A | 87.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 88.1 Ų | 88.1 | 2% | 0.017 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M17 S18 Q20 L26 L36 | M17-A22 HydrophobicContact CG-CB 4.33Å; M17-A22 HydrophobicContact SD-CB 3.85Å; S18-A22 WeakPolarHBondContact O-CB 3.33Å; S18-A22 PolarHBondContact O-N 2.87Å; S18-A22 VanDerWaalsContact O-N 3.17Å; Q20-A22 VanDerWaalsContact C-N 3.32Å; Q20-A22 PolarHBondContact O-N 2.95Å; A22-L26 VanDerWaalsContact O-CG 3.31Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.44Å; A22-L26 VanDerWaalsContact O-N 3.15Å; A22-L36 HydrophobicContact CB-CD1 3.94Å; A22-L36 HydrophobicContact CB-CD2 4.33Å |
| 23 | T | 85.7 | Confident | 87 | Confident | 38 Ų | 38 | 87.4 Ų | 87.4 | 23% | 0.233 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.6 | -43 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | R19 Q20 D21 L26 M27 | R19-T23 WeakPolarHBondContact O-CB 3.43Å; R19-T23 PolarHBondContact O-N 2.64Å; R19-T23 PolarHBondContact O-OG1 3.42Å; Q20-T23 WeakPolarHBondContact O-CA 3.46Å; Q20-T23 WeakPolarHBondContact O-CB 3.23Å; Q20-T23 PolarHBondContact O-N 2.84Å; D21-T23 PolarHBondContact O-N 2.84Å; T23-L26 PolarHBondContact O-N 2.9Å; T23-M27 HydrophobicContact CG2-CE 3.67Å; T23-M27 HydrophobicContact CG2-CG 4.25Å; T23-M27 HydrophobicContact CG2-SD 4.06Å; T23-M27 WeakPolarHBondContact O-CB 3.4Å; T23-M27 VanDerWaalsContact O-CG 3.25Å; T23-M27 WeakPolarHBondContact O-CG 3.36Å; T23-M27 PolarHBondContact O-N 2.8Å |
| 24 | E | 89 | Confident | 86.7 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 177.4 | -71.5 | -178.6 | -174.3 | 0 | 0 | 111.9 | Q20 D21 L26 M27 N28 | Q20-E24 PolarHBondContact O-N 3.42Å; D21-E24 PolarHBondContact O-N 2.77Å; E24-L26 PolarHBondContact O-N 3.4Å; E24-M27 PolarHBondContact O-N 3.08Å; E24-M27 VanDerWaalsContact O-N 3.16Å; E24-N28 PolarHBondContact O-N 2.92Å; E24-N28 PolarHBondContact O-ND2 3.19Å |
| 25 | V | 89.1 | Confident | 86.6 | Confident | 44 Ų | 44 | 86.6 Ų | 86.6 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.4 | -52.6 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | M17 D21 M27 N28 E29 L36 | M17-V25 HydrophobicContact CE-CG2 4.37Å; D21-V25 WeakPolarHBondContact O-CG2 3.24Å; D21-V25 PolarHBondContact O-N 3.19Å; V25-M27 VanDerWaalsContact C-N 3.29Å; V25-M27 PolarHBondContact O-N 3.15Å; V25-N28 PolarHBondContact O-N 3.43Å; V25-E29 PolarHBondContact O-N 3.17Å; V25-L36 HydrophobicContact CB-CD2 4.03Å; V25-L36 HydrophobicContact CG1-CD2 3.78Å |
| 26 | L | 86.9 | Confident | 86.5 | Confident | 16 Ų | 16 | 86.3 Ų | 86.3 | 8% | 0.084 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68 | -25.9 | 179.7 | -67.3 | 174.7 | 0 | 0 | 0 | 113.4 | A22 T23 E24 V34 L36 C50 R52 | A22-L26 VanDerWaalsContact O-CG 3.31Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.44Å; A22-L26 VanDerWaalsContact O-N 3.15Å; T23-L26 PolarHBondContact O-N 2.9Å; E24-L26 PolarHBondContact O-N 3.4Å; L26-V34 HydrophobicContact CD2-CB 4.43Å; L26-V34 HydrophobicContact CD2-CG1 4.17Å; L26-L36 HydrophobicContact CD2-CD2 4.24Å; L26-L36 HydrophobicContact CD2-CG 4.47Å; L26-L36 HydrophobicContact CG-CD2 4.02Å; L26-L36 HydrophobicContact CG-CG 4.45Å; L26-C50 HydrophobicContact CD1-CB 3.59Å; L26-R52 HydrophobicContact CB-CB 4.28Å; L26-R52 HydrophobicContact CB-CG 4.46Å; L26-R52 HydrophobicContact CD2-CB 4.25Å; L26-R52 WeakPolarHBondContact O-CD 3.5Å; L26-R52 WeakPolarHBondContact O-CG 3.42Å; L26-R52 PolarHBondContact O-NE 2.79Å |
| 27 | M | 85.4 | Confident | 86.5 | Confident | 135 Ų | 135 | 82.2 Ų | 82.2 | 67% | 0.665 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74 | -33 | 175.1 | -79.7 | -172.7 | 176.1 | 0 | 0 | 112.2 | T23 E24 V25 E29 | T23-M27 HydrophobicContact CG2-CE 3.67Å; T23-M27 HydrophobicContact CG2-CG 4.25Å; T23-M27 HydrophobicContact CG2-SD 4.06Å; T23-M27 WeakPolarHBondContact O-CB 3.4Å; T23-M27 VanDerWaalsContact O-CG 3.25Å; T23-M27 WeakPolarHBondContact O-CG 3.36Å; T23-M27 PolarHBondContact O-N 2.8Å; E24-M27 PolarHBondContact O-N 3.08Å; E24-M27 VanDerWaalsContact O-N 3.16Å; V25-M27 VanDerWaalsContact C-N 3.29Å; V25-M27 PolarHBondContact O-N 3.15Å; M27-E29 VanDerWaalsContact C-N 3.27Å; M27-E29 PolarHBondContact O-N 3.32Å |
| 28 | N | 87.7 | Confident | 86.5 | Confident | 133 Ų | 133 | 81.3 Ų | 81.3 | 71% | 0.711 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.4 | -24.1 | 177.1 | -74.2 | -31.6 | 0 | 0 | 0 | 113.2 | E24 V25 | E24-N28 PolarHBondContact O-N 2.92Å; E24-N28 PolarHBondContact O-ND2 3.19Å; V25-N28 PolarHBondContact O-N 3.43Å |
| 29 | E | 86.3 | Confident | 86.6 | Confident | 80 Ų | 80 | 82 Ų | 82 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | trans | -63.8 | 149.6 | 175.5 | -69.4 | -59.3 | 146.8 | 0 | 0 | 111.9 | V25 M27 V34 R52 | V25-E29 PolarHBondContact O-N 3.17Å; M27-E29 VanDerWaalsContact C-N 3.27Å; M27-E29 PolarHBondContact O-N 3.32Å; E29-V34 HydrophobicContact CB-CB 4.28Å; E29-V34 HydrophobicContact CB-CG1 4.46Å; E29-V34 HydrophobicContact CB-CG2 4.09Å; E29-V34 HydrophobicContact CG-CB 4.12Å; E29-V34 HydrophobicContact CG-CG1 3.77Å; E29-V34 HydrophobicContact CG-CG2 4.19Å; E29-R52 PolarHBondContact O-NE 2.82Å; E29-R52 PolarHBondContact O-NH1 3.41Å; E29-R52 PolarHBondContact O-NH2 2.92Å | ||
| 30 | R | 82 | Confident | 86.5 | Confident | 238 Ų | 238 | 77 Ų | 77 | 90% | 0.898 | 37% | 0.372 | S | S | * | . | trans | -97.1 | -29.7 | 178.4 | -74.2 | -176.8 | 171.4 | -168.7 | -1.3 | 112.8 | R52 | R30-R52 PolarHBondContact O-NH1 2.84Š| ||
| 31 | E | 82.9 | Confident | 86.2 | Confident | 146 Ų | 146 | 76.3 Ų | 76.3 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -90.6 | 148.9 | -175.8 | -60.2 | -173.2 | 176.3 | 0 | 0 | 112.6 | V34 R52 | E31-V34 HydrophobicContact CB-CG2 4.2Å; E31-R52 VanDerWaalsContact C-NH1 3.27Å; E31-R52 VanDerWaalsContact O-CD 3.28Å; E31-R52 WeakPolarHBondContact O-CD 2.97Å; E31-R52 PolarHBondContact O-NH1 2.67Å |
| 32 | R | 80.9 | Confident | 85.8 | Confident | 222 Ų | 222 | 76.9 Ų | 76.9 | 84% | 0.838 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 151.3 | 172.1 | -66.7 | -176 | -177.9 | -173.7 | 3.1 | 109.3 | V34 | R32-V34 VanDerWaalsContact C-N 3.3Š|
| 33 | G | 79.8 | Confident | 85.5 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 0.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R52 | G33-R52 PolarHBondContact N-O 2.97Š|
| 34 | V | 86.6 | Confident | 85.3 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | trans | -63 | 139.3 | 166.3 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | L26 E29 E31 R32 R52 | L26-V34 HydrophobicContact CD2-CB 4.43Å; L26-V34 HydrophobicContact CD2-CG1 4.17Å; E29-V34 HydrophobicContact CB-CB 4.28Å; E29-V34 HydrophobicContact CB-CG1 4.46Å; E29-V34 HydrophobicContact CB-CG2 4.09Å; E29-V34 HydrophobicContact CG-CB 4.12Å; E29-V34 HydrophobicContact CG-CG1 3.77Å; E29-V34 HydrophobicContact CG-CG2 4.19Å; E31-V34 HydrophobicContact CB-CG2 4.2Å; R32-V34 VanDerWaalsContact C-N 3.3Å; V34-R52 WeakPolarHBondContact O-CB 3.38Å; V34-R52 PolarHBondContact O-N 3.45Å | ||
| 35 | F | 88.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 80 Ų | 80 | 32% | 0.316 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.8 | -178 | 71.9 | -87 | 0 | 0 | 0 | 111.6 | F4 W12 L49 C50 V51 | F4-F35 AromaticContact CE1-CZ 3.85Å; F4-F35 HydrophobicContact CE1-CZ 3.85Å; F4-F35 HydrophobicContact CE2-CE1 4.44Å; F4-F35 AromaticContact CE2-CZ 3.94Å; F4-F35 HydrophobicContact CE2-CZ 3.94Å; F4-F35 HydrophobicContact CZ-CE1 4.26Å; F4-F35 HydrophobicContact CZ-CE2 4.26Å; F4-F35 AromaticContact CZ-CZ 3.45Å; F4-F35 HydrophobicContact CZ-CZ 3.45Å; F4-F35 VanDerWaalsContact CZ-CZ 3.45Å; W12-F35 HydrophobicContact CB-CE2 4.08Å; F35-L49 HydrophobicContact CB-CD1 4.1Å; F35-L49 HydrophobicContact CD2-CD1 3.64Å; F35-L49 HydrophobicContact CE2-CD1 4.49Å; F35-L49 HydrophobicContact CG-CD1 4.21Å; F35-C50 CarbonylContact C-O 3.48Å; F35-C50 WeakPolarHBondContact CA-O 3.34Å; F35-C50 WeakPolarHBondContact CB-O 3.42Å; F35-V51 HydrophobicContact CB-CB 4.39Å; F35-V51 HydrophobicContact CB-CG1 4.32Å; F35-V51 HydrophobicContact CB-CG2 3.97Å |
| 36 | L | 89.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.01 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.9 | 169.2 | 64 | 84.5 | 0 | 0 | 0 | 110.3 | W12 F14 M17 A22 V25 L26 R38 C50 | W12-L36 WeakPolarHBondContact O-CA 3.49Å; F14-L36 HydrophobicContact CD2-CB 3.64Å; F14-L36 HydrophobicContact CD2-CG 4.46Å; F14-L36 HydrophobicContact CE2-CB 3.64Å; F14-L36 HydrophobicContact CE2-CD2 4.49Å; M17-L36 HydrophobicContact SD-CD1 4.31Å; M17-L36 HydrophobicContact SD-CD2 4.43Å; A22-L36 HydrophobicContact CB-CD1 3.94Å; A22-L36 HydrophobicContact CB-CD2 4.33Å; V25-L36 HydrophobicContact CB-CD2 4.03Å; V25-L36 HydrophobicContact CG1-CD2 3.78Å; L26-L36 HydrophobicContact CD2-CD2 4.24Å; L26-L36 HydrophobicContact CD2-CG 4.47Å; L26-L36 HydrophobicContact CG-CD2 4.02Å; L26-L36 HydrophobicContact CG-CG 4.45Å; L36-R38 HydrophobicContact CD1-CB 4.29Å; L36-R38 HydrophobicContact CD1-CG 4.48Å; L36-C50 HydrophobicContact CD1-CB 3.84Å; L36-C50 HydrophobicContact CG-CB 4Å; L36-C50 PolarHBondContact N-O 2.98Å; L36-C50 PolarHBondContact O-N 2.97Å |
| 37 | V | 90.1 | Very high | 84.8 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 15% | 0.145 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.2 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | W12 Y13 F14 Y47 V48 L49 | W12-V37 HydrophobicContact CE3-CB 4.08Å; W12-V37 HydrophobicContact CE3-CG2 3.96Å; W12-V37 HydrophobicContact CZ3-CB 4.26Å; W12-V37 HydrophobicContact CZ3-CG2 4.24Å; W12-V37 PolarHBondContact O-N 2.84Å; Y13-V37 WeakPolarHBondContact CA-O 3.26Å; Y13-V37 HydrophobicContact CD2-CB 4.27Å; Y13-V37 HydrophobicContact CD2-CG1 4.08Å; F14-V37 PolarHBondContact N-O 3.22Å; V37-Y47 HydrophobicContact CG1-CD1 4.32Å; V37-Y47 HydrophobicContact CG1-CG 4.41Å; V37-V48 WeakPolarHBondContact CA-O 3.25Å; V37-L49 HydrophobicContact CG2-CD1 3.85Å |
| 38 | R | 89.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 4% | 0.038 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 165.1 | 176.2 | 67 | -177.7 | -168.5 | 71.8 | 16.7 | 111.3 | G15 M17 L36 Y47 V48 | G15-R38 CarbonylContact O-C 3.58Å; G15-R38 WeakPolarHBondContact O-CA 3.33Å; G15-R38 WeakPolarHBondContact O-CB 3.41Å; M17-R38 HydrophobicContact CB-CB 3.94Å; M17-R38 WeakPolarHBondContact O-CD 3.44Å; M17-R38 PolarHBondContact O-NH1 3.15Å; L36-R38 HydrophobicContact CD1-CB 4.29Å; L36-R38 HydrophobicContact CD1-CG 4.48Å; R38-Y47 CarbonylContact O-C 3.57Å; R38-Y47 WeakPolarHBondContact O-CA 3.45Å; R38-V48 HydrophobicContact CG-CB 3.98Å; R38-V48 PolarHBondContact N-O 3.34Å; R38-V48 PolarHBondContact O-N 3.21Å |
| 39 | D | 89.7 | Confident | 84.9 | Confident | 41 Ų | 41 | 79.5 Ų | 79.5 | 22% | 0.219 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 148 | 172.2 | -59.8 | -23 | 0 | 0 | 0 | 111 | Y13 G15 P16 N41 Y47 | Y13-D39 WeakPolarHBondContact CE2-OD1 3.33Å; Y13-D39 VanDerWaalsContact OH-CG 3.28Å; Y13-D39 PolarHBondContact OH-OD1 3.06Å; Y13-D39 PolarHBondContact OH-OD2 3Å; G15-D39 PolarHBondContact O-N 3.36Å; P16-D39 WeakPolarHBondContact CD-OD2 3.37Å; D39-N41 PolarHBondContact O-N 2.72Å; D39-Y47 WeakPolarHBondContact OD1-CD1 3.09Å; D39-Y47 VanDerWaalsContact OD1-CE1 3.26Å; D39-Y47 WeakPolarHBondContact OD1-CE1 3.46Å |
| 40 | S | 81.9 | Confident | 84.9 | Confident | 15 Ų | 15 | 76.2 Ų | 76.2 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | trans | -78.7 | 114.4 | 174.2 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | S42 I43 D46 | S40-S42 PolarHBondContact O-N 3.19Å; S40-S42 PolarHBondContact OG-OG 3.26Å; S40-S42 VanDerWaalsContact OG-OG 3.07Å; S40-I43 WeakPolarHBondContact CB-O 3.38Å; S40-I43 PolarHBondContact OG-N 3.38Å; S40-I43 VanDerWaalsContact OG-N 3.13Å; S40-D46 VanDerWaalsContact CB-O 3.23Å; S40-D46 WeakPolarHBondContact CB-O 3.43Å; S40-D46 PolarHBondContact N-O 2.84Å | ||
| 41 | N | 81.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -68.5 | -17.1 | 173.9 | -65.3 | -0.8 | 0 | 0 | 0 | 112.9 | D39 | D39-N41 PolarHBondContact O-N 2.72Š|
| 42 | S | 80.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -93.8 | -26.9 | -179.2 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | S40 | S40-S42 PolarHBondContact O-N 3.19Å; S40-S42 PolarHBondContact OG-OG 3.26Å; S40-S42 VanDerWaalsContact OG-OG 3.07Å |
| 43 | I | 81.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -137 | 105.9 | -176.4 | -55.8 | 174 | 0 | 0 | 0 | 107.3 | S40 G45 D46 | S40-I43 WeakPolarHBondContact CB-O 3.38Å; S40-I43 PolarHBondContact OG-N 3.38Å; S40-I43 VanDerWaalsContact OG-N 3.13Å; I43-G45 PolarHBondContact O-N 3.33Å; I43-D46 HydrophobicContact CB-CB 4.03Å; I43-D46 WeakPolarHBondContact CD1-OD2 3.31Å; I43-D46 HydrophobicContact CG2-CB 4.07Å; I43-D46 WeakPolarHBondContact CG2-OD2 3.32Å; I43-D46 PolarHBondContact O-N 3.22Å |
| 44 | A | 83.3 | Confident | 83 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 86% | 0.86 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 130.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 45 | G | 83.4 | Confident | 81.2 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | -10.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | I43 | I43-G45 PolarHBondContact O-N 3.33Š|
| 46 | D | 84.5 | Confident | 79.5 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 33% | 0.326 | 39% | 0.389 | S | S | . | . | trans | -90.1 | 151.3 | 173.6 | -80.5 | 4.2 | 0 | 0 | 0 | 111.6 | S40 I43 | S40-D46 VanDerWaalsContact CB-O 3.23Å; S40-D46 WeakPolarHBondContact CB-O 3.43Å; S40-D46 PolarHBondContact N-O 2.84Å; I43-D46 HydrophobicContact CB-CB 4.03Å; I43-D46 WeakPolarHBondContact CD1-OD2 3.31Å; I43-D46 HydrophobicContact CG2-CB 4.07Å; I43-D46 WeakPolarHBondContact CG2-OD2 3.32Å; I43-D46 PolarHBondContact O-N 3.22Å | ||
| 47 | Y | 86.7 | Confident | 77.7 | Confident | 143 Ų | 143 | 79.2 Ų | 79.2 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 151.7 | 174.2 | -59.8 | -75.2 | 0 | 0 | 0 | 111.7 | Y13 V37 R38 D39 | Y13-Y47 AromaticContact CE2-CD1 3.76Å; Y13-Y47 HydrophobicContact CE2-CD1 3.76Å; Y13-Y47 AromaticContact CE2-CE1 3.6Å; Y13-Y47 HydrophobicContact CE2-CE1 3.6Å; Y13-Y47 AromaticContact CZ-CE1 3.93Å; V37-Y47 HydrophobicContact CG1-CD1 4.32Å; V37-Y47 HydrophobicContact CG1-CG 4.41Å; R38-Y47 CarbonylContact O-C 3.57Å; R38-Y47 WeakPolarHBondContact O-CA 3.45Å; D39-Y47 WeakPolarHBondContact OD1-CD1 3.09Å; D39-Y47 VanDerWaalsContact OD1-CE1 3.26Å; D39-Y47 WeakPolarHBondContact OD1-CE1 3.46Å |
| 48 | V | 85.8 | Confident | 75.7 | Confident | 17 Ų | 17 | 80.3 Ų | 80.3 | 10% | 0.103 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.5 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | V37 R38 L58 | V37-V48 WeakPolarHBondContact CA-O 3.25Å; R38-V48 HydrophobicContact CG-CB 3.98Å; R38-V48 PolarHBondContact N-O 3.34Å; R38-V48 PolarHBondContact O-N 3.21Å; V48-L58 HydrophobicContact CG1-CD1 4.46Å |
| 49 | L | 88.1 | Confident | 73.8 | Confident | 96 Ų | 96 | 87 Ų | 87 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.1 | 169.3 | 178.3 | 66.9 | 0 | 0 | 0 | 109.6 | F35 V37 V51 | F35-L49 HydrophobicContact CB-CD1 4.1Å; F35-L49 HydrophobicContact CD2-CD1 3.64Å; F35-L49 HydrophobicContact CE2-CD1 4.49Å; F35-L49 HydrophobicContact CG-CD1 4.21Å; V37-L49 HydrophobicContact CG2-CD1 3.85Å; L49-V51 HydrophobicContact CD1-CG2 4.3Å; L49-V51 HydrophobicContact CD2-CG2 4.04Å; L49-V51 HydrophobicContact CG-CG2 3.86Å |
| 50 | C | 85.9 | Confident | 71.5 | Confident | 12 Ų | 12 | 90.6 Ų | 90.6 | 8% | 0.081 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 108.2 | L26 F35 L36 | L26-C50 HydrophobicContact CD1-CB 3.59Å; F35-C50 CarbonylContact C-O 3.48Å; F35-C50 WeakPolarHBondContact CA-O 3.34Å; F35-C50 WeakPolarHBondContact CB-O 3.42Å; L36-C50 HydrophobicContact CD1-CB 3.84Å; L36-C50 HydrophobicContact CG-CB 4Å; L36-C50 PolarHBondContact N-O 2.98Å; L36-C50 PolarHBondContact O-N 2.97Å |
| 51 | V | 86.5 | Confident | 69.4 | Low | 50 Ų | 50 | 94.6 Ų | 94.6 | 30% | 0.303 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.2 | -176.6 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | F35 L49 I53 | F35-V51 HydrophobicContact CB-CB 4.39Å; F35-V51 HydrophobicContact CB-CG1 4.32Å; F35-V51 HydrophobicContact CB-CG2 3.97Å; L49-V51 HydrophobicContact CD1-CG2 4.3Å; L49-V51 HydrophobicContact CD2-CG2 4.04Å; L49-V51 HydrophobicContact CG-CG2 3.86Å; V51-I53 HydrophobicContact CB-CD1 4.1Å; V51-I53 HydrophobicContact CB-CG1 4.01Å; V51-I53 HydrophobicContact CG1-CD1 3.97Å; V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-I53 PolarHBondContact O-N 3.16Å |
| 52 | R | 79.8 | Confident | 67.3 | Low | 72 Ų | 72 | 95.5 Ų | 95.5 | 27% | 0.272 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 88.3 | 178.1 | -163.5 | -165.3 | -172.3 | -136.7 | -1.6 | 111.9 | L26 E29 R30 E31 G33 V34 | L26-R52 HydrophobicContact CB-CB 4.28Å; L26-R52 HydrophobicContact CB-CG 4.46Å; L26-R52 HydrophobicContact CD2-CB 4.25Å; L26-R52 WeakPolarHBondContact O-CD 3.5Å; L26-R52 WeakPolarHBondContact O-CG 3.42Å; L26-R52 PolarHBondContact O-NE 2.79Å; E29-R52 PolarHBondContact O-NE 2.82Å; E29-R52 PolarHBondContact O-NH1 3.41Å; E29-R52 PolarHBondContact O-NH2 2.92Å; R30-R52 PolarHBondContact O-NH1 2.84Å; E31-R52 VanDerWaalsContact C-NH1 3.27Å; E31-R52 VanDerWaalsContact O-CD 3.28Å; E31-R52 WeakPolarHBondContact O-CD 2.97Å; E31-R52 PolarHBondContact O-NH1 2.67Å; G33-R52 PolarHBondContact N-O 2.97Å; V34-R52 WeakPolarHBondContact O-CB 3.38Å; V34-R52 PolarHBondContact O-N 3.45Å |
| 53 | I | 68.3 | Low | 65.3 | Low | 103 Ų | 103 | 98.4 Ų | 98.4 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | -42.7 | 178.5 | 26.7 | 176.6 | 0 | 0 | 0 | 112.3 | V51 | V51-I53 HydrophobicContact CB-CD1 4.1Å; V51-I53 HydrophobicContact CB-CG1 4.01Å; V51-I53 HydrophobicContact CG1-CD1 3.97Å; V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-I53 PolarHBondContact O-N 3.16Å |
| 54 | K | 52.4 | Low | 63.5 | Low | 181 Ų | 181 | 108.4 Ų | 108.4 | 79% | 0.787 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 168.4 | 122.5 | 163.8 | -104.7 | 172.7 | 176.3 | 179.1 | 0 | 105.3 | ||
| 55 | M | 48.4 | Very low | 62.5 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 82% | 0.823 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 41.3 | 96.4 | 172.3 | -76.6 | -75.9 | -84.9 | 0 | 0 | 117.3 | Y57 | M55-Y57 PolarHBondContact O-N 3.48Š|
| 56 | I | 53 | Low | 61.4 | Low | 65 Ų | 65 | 110.8 Ų | 110.8 | 33% | 0.333 | 52% | 0.516 | S | S | . | . | trans | 21.8 | 86.2 | 146.5 | -43.5 | 177.5 | 0 | 0 | 0 | 114.9 | R19 L58 | R19-I56 HydrophobicContact CG-CD1 3.86Å; I56-L58 HydrophobicContact CG2-CD1 3.78Å | ||
| 57 | Y | 51.2 | Low | 60.1 | Low | 184 Ų | 184 | 113.6 Ų | 113.6 | 72% | 0.722 | 53% | 0.526 | S | S | * | . | trans | -75 | 128.6 | 159.1 | -67.4 | -86.5 | 0 | 0 | 0 | 108.3 | M55 | M55-Y57 PolarHBondContact O-N 3.48Š| ||
| 58 | L | 48.5 | Very low | 58.5 | Low | 47 Ų | 47 | 111.8 Ų | 111.8 | 25% | 0.246 | 52% | 0.524 | C | S | . | . | trans | -123 | 149.3 | 176 | -132.5 | 118.8 | 0 | 0 | 0 | 108.3 | V48 I56 | V48-L58 HydrophobicContact CG1-CD1 4.46Å; I56-L58 HydrophobicContact CG2-CD1 3.78Å | ||
| 59 | F | 48.6 | Very low | 56.8 | Low | 152 Ų | 152 | 117.8 Ų | 117.8 | 67% | 0.667 | 55% | 0.551 | S | S | * | * | trans | 84 | 142 | 166.4 | -65.2 | -73.7 | 0 | 0 | 0 | 117.4 | ||||
| 60 | K | 41.9 | Very low | 54.8 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | cis | -170.9 | 161.6 | -13.6 | -143.2 | -171.6 | 178.1 | -157 | 0 | 107.5 | ||||
| 61 | E | 37.8 | Very low | 52.5 | Low | 99 Ų | 99 | 126.9 Ų | 126.9 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | trans | 59.3 | 91.6 | 154.6 | -71.2 | 178.3 | -154.6 | 0 | 0 | 118 | K63 | E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 HydrophobicContact CB-CG 4.36Å; E61-K63 HydrophobicContact CG-CD 4.45Å; E61-K63 HydrophobicContact CG-CG 4.08Å; E61-K63 IonicContact OE1-NZ 3.17Å; E61-K63 PolarHBondContact OE1-NZ 2.81Å; E61-K63 VanDerWaalsContact OE1-NZ 3.17Å; E61-K63 WeakPolarHBondContact OE2-CD 3.41Å; E61-K63 VanDerWaalsContact OE2-CE 3.3Å; E61-K63 WeakPolarHBondContact OE2-CE 3.28Å; E61-K63 IonicContact OE2-NZ 2.8Å; E61-K63 PolarHBondContact OE2-NZ 3.05Å | ||
| 62 | V | 38 | Very low | 49.9 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 78% | 0.782 | 61% | 0.609 | S | S | * | * | trans | -93.1 | 82.2 | 131.8 | -172.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 63 | K | 37.7 | Very low | 47.4 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | trans | -66.7 | 124.2 | 153.2 | -75.7 | -177.2 | 179 | 140.2 | 0 | 105.8 | E61 | E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 HydrophobicContact CB-CG 4.36Å; E61-K63 HydrophobicContact CG-CD 4.45Å; E61-K63 HydrophobicContact CG-CG 4.08Å; E61-K63 IonicContact OE1-NZ 3.17Å; E61-K63 PolarHBondContact OE1-NZ 2.81Å; E61-K63 VanDerWaalsContact OE1-NZ 3.17Å; E61-K63 WeakPolarHBondContact OE2-CD 3.41Å; E61-K63 VanDerWaalsContact OE2-CE 3.3Å; E61-K63 WeakPolarHBondContact OE2-CE 3.28Å; E61-K63 IonicContact OE2-NZ 2.8Å; E61-K63 PolarHBondContact OE2-NZ 3.05Å | ||
| 64 | F | 43.3 | Very low | 45.5 | Very low | 264 Ų | 264 | 141 Ų | 141 | 100% | 1.158 | 65% | 0.648 | S | S | * | * | trans | -67.7 | 0 | 159.1 | -68.9 | -84.8 | 0 | 0 | 0 | 109.3 |
Retrieved 64 of 64 residues in 42.4 ms
(Link to these results)