| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 59.4 | Low | 247 Ų | 247 | 95.6 Ų | 95.6 | 100% | 1.217 | 61% | 0.611 | S | S | * | * | 0 | 109.8 | 0 | -73.8 | 178 | 174.9 | 0 | 0 | 108.4 | C3 | M1-C3 PolarHBondContact O-N 3.43Š| |||
| 2 | A | 41.9 | Very low | 60.5 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -83.9 | 109.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | A4 | A2-A4 PolarHBondContact O-N 2.8Š| ||
| 3 | C | 39.1 | Very low | 61.5 | Low | 126 Ų | 126 | 99 Ų | 99 | 85% | 0.851 | 61% | 0.608 | S | S | * | * | trans | -57.9 | 112.1 | 170.5 | -157.4 | 0 | 0 | 0 | 0 | 107 | M1 A5 | M1-C3 PolarHBondContact O-N 3.43Å; C3-A5 PolarHBondContact O-N 3.05Å | ||
| 4 | A | 54.3 | Low | 62.8 | Low | 98 Ų | 98 | 100.4 Ų | 100.4 | 81% | 0.81 | 60% | 0.596 | S | S | * | * | trans | -67.3 | 90 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | A2 A6 | A2-A4 PolarHBondContact O-N 2.8Å; A4-A6 PolarHBondContact O-N 3.15Å; A4-A6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | A | 58.6 | Low | 64.2 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | trans | -47 | 128 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107 | C3 R7 | C3-A5 PolarHBondContact O-N 3.05Å; A5-R7 PolarHBondContact O-N 2.66Å | ||
| 6 | A | 55.9 | Low | 65.3 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 89% | 0.893 | 53% | 0.534 | S | S | * | . | trans | -62.3 | 83.8 | 174 | 0 | 0 | 0 | 0 | 0 | 107.4 | A4 S8 | A4-A6 PolarHBondContact O-N 3.15Å; A4-A6 VanDerWaalsContact O-N 3.15Å; A6-S8 PolarHBondContact O-N 3.49Å | ||
| 7 | R | 69.1 | Low | 66.1 | Low | 153 Ų | 153 | 88.1 Ų | 88.1 | 58% | 0.577 | 52% | 0.522 | S | S | * | . | trans | -61.5 | 139.9 | 173.7 | -70.6 | 175.4 | 175.2 | 171.3 | -1.6 | 105.3 | A5 D11 R14 | A5-R7 PolarHBondContact O-N 2.66Å; R7-D11 WeakPolarHBondContact CA-OD2 3.19Å; R7-D11 WeakPolarHBondContact CB-OD2 3.48Å; R7-R14 VanDerWaalsContact C-CZ 3.4Å; R7-R14 VanDerWaalsContact C-NH2 3.3Å; R7-R14 HydrophobicContact CB-CG 4.41Å; R7-R14 PolarHBondContact O-NH1 3.47Å; R7-R14 PolarHBondContact O-NH2 3.18Å | ||
| 8 | S | 74.6 | Confident | 66.6 | Low | 16 Ų | 16 | 83.7 Ų | 83.7 | 11% | 0.112 | 50% | 0.496 | C | S | . | . | trans | -86.9 | 147.3 | 173.6 | 169.4 | 0 | 0 | 0 | 0 | 109.5 | A6 A10 D11 R14 E65 | A6-S8 PolarHBondContact O-N 3.49Å; S8-A10 PolarHBondContact O-N 2.53Å; S8-A10 WeakPolarHBondContact OG-CB 3.44Å; S8-A10 PolarHBondContact OG-N 3.06Å; S8-A10 VanDerWaalsContact OG-N 3.16Å; S8-D11 PolarHBondContact N-OD2 2.94Å; S8-D11 VanDerWaalsContact O-CB 3.29Å; S8-D11 WeakPolarHBondContact O-CB 3.45Å; S8-D11 PolarHBondContact O-N 2.73Å; S8-R14 VanDerWaalsContact C-NE 3.26Å; S8-R14 PolarHBondContact O-NE 3.46Å; S8-E65 WeakPolarHBondContact OG-CG 3.29Å | ||
| 9 | P | 73 | Confident | 66.7 | Low | 32 Ų | 32 | 80.9 Ų | 80.9 | 21% | 0.208 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.7 | 174.8 | -16.4 | 31 | 0 | 0 | 0 | 111.5 | D11 K63 | P9-D11 VanDerWaalsContact C-N 3.3Å; P9-K63 HydrophobicContact CB-CB 3.72Å |
| 10 | A | 70.3 | Confident | 66.7 | Low | 32 Ų | 32 | 78.3 Ų | 78.3 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S8 Q12 F15 E65 | S8-A10 PolarHBondContact O-N 2.53Å; S8-A10 WeakPolarHBondContact OG-CB 3.44Å; S8-A10 PolarHBondContact OG-N 3.06Å; S8-A10 VanDerWaalsContact OG-N 3.16Å; A10-Q12 PolarHBondContact O-N 3.27Å; A10-F15 WeakPolarHBondContact O-CE1 3.33Å; A10-E65 HydrophobicContact CB-CB 4.08Å |
| 11 | D | 78.8 | Confident | 66.2 | Low | 65 Ų | 65 | 76.3 Ų | 76.3 | 35% | 0.348 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -62.6 | 134.5 | 172.3 | -70.3 | -26.6 | 0 | 0 | 0 | 109.5 | R7 S8 P9 D13 R14 F15 | R7-D11 WeakPolarHBondContact CA-OD2 3.19Å; R7-D11 WeakPolarHBondContact CB-OD2 3.48Å; S8-D11 PolarHBondContact N-OD2 2.94Å; S8-D11 VanDerWaalsContact O-CB 3.29Å; S8-D11 WeakPolarHBondContact O-CB 3.45Å; S8-D11 PolarHBondContact O-N 2.73Å; P9-D11 VanDerWaalsContact C-N 3.3Å; D11-D13 PolarHBondContact O-N 2.86Å; D11-R14 PolarHBondContact O-N 3.16Å; D11-F15 VanDerWaalsContact O-CD1 3.25Å; D11-F15 WeakPolarHBondContact O-CD1 3.43Å; D11-F15 WeakPolarHBondContact O-CE1 3.4Å |
| 12 | Q | 72 | Confident | 66.9 | Low | 121 Ų | 121 | 69.4 Ų | 69.4 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -51.3 | -36.7 | 177.7 | -65.5 | -166.1 | 19.7 | 0 | 0 | 110.5 | A10 R14 F15 R59 | A10-Q12 PolarHBondContact O-N 3.27Å; Q12-R14 VanDerWaalsContact C-N 3.26Å; Q12-R14 PolarHBondContact O-N 3.15Å; Q12-F15 HydrophobicContact CG-CE2 4.28Å; Q12-F15 HydrophobicContact CG-CZ 4.46Å; Q12-F15 VanDerWaalsContact O-CB 3.22Å; Q12-F15 WeakPolarHBondContact O-CB 3.25Å; Q12-F15 WeakPolarHBondContact O-CG 3.22Å; Q12-F15 PolarHBondContact O-N 3.09Å; Q12-R59 VanDerWaalsContact C-CZ 3.44Å; Q12-R59 PolarHBondContact O-NE 2.89Å; Q12-R59 PolarHBondContact O-NH1 2.75Å; Q12-R59 VanDerWaalsContact O-NH1 3.09Å; Q12-R59 PolarHBondContact O-NH2 3.48Å |
| 13 | D | 73.8 | Confident | 67.7 | Low | 114 Ų | 114 | 66.8 Ų | 66.8 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -62.4 | -24.7 | 179.8 | -75.9 | -18.8 | 0 | 0 | 0 | 115.9 | D11 R59 | D11-D13 PolarHBondContact O-N 2.86Å; D13-R59 PolarHBondContact O-NH2 3.25Å; D13-R59 IonicContact OD1-CZ 2.68Å; D13-R59 IonicContact OD1-NH1 3.95Å; D13-R59 PolarHBondContact OD1-NH1 3.21Å; D13-R59 IonicContact OD1-NH2 2.98Å |
| 14 | R | 79.5 | Confident | 68.5 | Low | 118 Ų | 118 | 63.3 Ų | 63.3 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -92.5 | -4 | 175.4 | -67 | -141.8 | -78.5 | -167.7 | 17.3 | 113.9 | R7 S8 D11 Q12 | R7-R14 VanDerWaalsContact C-CZ 3.4Å; R7-R14 VanDerWaalsContact C-NH2 3.3Å; R7-R14 HydrophobicContact CB-CG 4.41Å; R7-R14 PolarHBondContact O-NH1 3.47Å; R7-R14 PolarHBondContact O-NH2 3.18Å; S8-R14 VanDerWaalsContact C-NE 3.26Å; S8-R14 PolarHBondContact O-NE 3.46Å; D11-R14 PolarHBondContact O-N 3.16Å; Q12-R14 VanDerWaalsContact C-N 3.26Å; Q12-R14 PolarHBondContact O-N 3.15Å |
| 15 | F | 83.5 | Confident | 68.1 | Low | 36 Ų | 36 | 65.4 Ų | 65.4 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -61.7 | 140.5 | 174.9 | -69 | 6.7 | 0 | 0 | 0 | 111 | A10 D11 Q12 R59 V60 Q61 | A10-F15 WeakPolarHBondContact O-CE1 3.33Å; D11-F15 VanDerWaalsContact O-CD1 3.25Å; D11-F15 WeakPolarHBondContact O-CD1 3.43Å; D11-F15 WeakPolarHBondContact O-CE1 3.4Å; Q12-F15 HydrophobicContact CG-CE2 4.28Å; Q12-F15 HydrophobicContact CG-CZ 4.46Å; Q12-F15 VanDerWaalsContact O-CB 3.22Å; Q12-F15 WeakPolarHBondContact O-CB 3.25Å; Q12-F15 WeakPolarHBondContact O-CG 3.22Å; Q12-F15 PolarHBondContact O-N 3.09Å; F15-R59 HydrophobicContact CB-CB 3.91Å; F15-R59 HydrophobicContact CD2-CB 4.12Å; F15-V60 CarbonylContact C-O 3.59Å; F15-V60 WeakPolarHBondContact CA-O 3.2Å; F15-V60 WeakPolarHBondContact CB-O 3.39Å; F15-Q61 HydrophobicContact CD1-CB 3.96Å; F15-Q61 HydrophobicContact CD1-CG 4.04Å; F15-Q61 HydrophobicContact CD2-CB 4.33Å; F15-Q61 HydrophobicContact CE1-CB 3.63Å; F15-Q61 HydrophobicContact CE1-CG 3.47Å; F15-Q61 VanDerWaalsContact CE1-CG 3.47Å; F15-Q61 HydrophobicContact CE2-CB 4.03Å; F15-Q61 HydrophobicContact CG-CB 4.32Å; F15-Q61 HydrophobicContact CZ-CB 3.67Å; F15-Q61 HydrophobicContact CZ-CG 3.84Å |
| 16 | I | 82.3 | Confident | 67.7 | Low | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.046 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.8 | -179.2 | 67.4 | 163.1 | 0 | 0 | 0 | 109.5 | I18 R59 V60 L62 R77 | I16-I18 HydrophobicContact CD1-CD1 3.96Å; I16-I18 HydrophobicContact CD1-CG1 4.16Å; I16-I18 HydrophobicContact CG1-CG1 4.47Å; I16-R59 VanDerWaalsContact O-CA 3.29Å; I16-R59 WeakPolarHBondContact O-CA 3.34Å; I16-V60 HydrophobicContact CD1-CB 4.07Å; I16-V60 HydrophobicContact CG1-CB 3.69Å; I16-V60 WeakPolarHBondContact CG1-O 3.01Å; I16-V60 PolarHBondContact N-O 3.48Å; I16-V60 PolarHBondContact O-N 2.87Å; I16-L62 HydrophobicContact CD1-CD1 3.99Å; I16-L62 HydrophobicContact CD1-CD2 4.04Å; I16-L62 HydrophobicContact CD1-CG 3.88Å; I16-L62 HydrophobicContact CG1-CD1 4.48Å; I16-L62 HydrophobicContact CG1-CG 4.19Å; I16-L62 HydrophobicContact CG2-CD1 3.59Å; I16-L62 HydrophobicContact CG2-CG 3.88Å; I16-R77 HydrophobicContact CB-CG 4Å; I16-R77 HydrophobicContact CD1-CB 4.29Å; I16-R77 HydrophobicContact CD1-CG 3.83Å; I16-R77 HydrophobicContact CG2-CG 3.69Å; I16-R77 VanDerWaalsContact CG2-NE 3.26Å |
| 17 | C | 79.3 | Confident | 67.5 | Low | 48 Ų | 48 | 69.4 Ų | 69.4 | 32% | 0.324 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.3 | 178.2 | -69.3 | 0 | 0 | 0 | 0 | 109.4 | Y19 R57 | C17-Y19 HydrophobicContact CB-CE2 4.39Å; C17-R57 HydrophobicContact CB-CG 4.24Å |
| 18 | I | 74.9 | Confident | 66.6 | Low | 9 Ų | 9 | 64.8 Ų | 64.8 | 5% | 0.046 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.7 | 172.1 | -55.7 | 178 | 0 | 0 | 0 | 107.1 | I16 L23 V58 V60 V80 M81 | I16-I18 HydrophobicContact CD1-CD1 3.96Å; I16-I18 HydrophobicContact CD1-CG1 4.16Å; I16-I18 HydrophobicContact CG1-CG1 4.47Å; I18-L23 HydrophobicContact CG2-CD1 3.66Å; I18-L23 HydrophobicContact CG2-CG 4.11Å; I18-V58 HydrophobicContact CB-CB 4.34Å; I18-V58 PolarHBondContact N-O 2.79Å; I18-V58 PolarHBondContact O-N 3.37Å; I18-V60 HydrophobicContact CD1-CG2 3.97Å; I18-V80 HydrophobicContact CD1-CB 4.32Å; I18-V80 HydrophobicContact CD1-CG1 3.55Å; I18-M81 HydrophobicContact CD1-CG 4.44Å; I18-M81 HydrophobicContact CG2-CG 4.49Å |
| 19 | Y | 69.4 | Low | 64.9 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | trans | -85.3 | 144.4 | 172.8 | -71.4 | -81.9 | 0 | 0 | 0 | 109.4 | C17 A21 Y22 Y44 G56 R57 | C17-Y19 HydrophobicContact CB-CE2 4.39Å; Y19-A21 PolarHBondContact O-N 2.99Å; Y19-A21 VanDerWaalsContact O-N 3.13Å; Y19-Y22 HydrophobicContact CD2-CD2 4.47Å; Y19-Y22 AromaticContact CD2-CE2 3.68Å; Y19-Y22 HydrophobicContact CD2-CE2 3.68Å; Y19-Y22 AromaticContact CD2-CZ 3.74Å; Y19-Y22 HydrophobicContact CG-CE2 4.42Å; Y19-Y22 WeakPolarHBondContact O-CB 3.23Å; Y19-Y22 PolarHBondContact O-N 3.37Å; Y19-Y44 AromaticContact CD2-CD2 3.74Å; Y19-Y44 HydrophobicContact CD2-CD2 3.74Å; Y19-Y44 HydrophobicContact CD2-CE2 4.4Å; Y19-Y44 HydrophobicContact CD2-CG 4.38Å; Y19-Y44 AromaticContact CE2-CD2 3.84Å; Y19-Y44 HydrophobicContact CE2-CD2 3.84Å; Y19-Y44 HydrophobicContact CG-CD2 4.11Å; Y19-Y44 HydrophobicContact CG-CG 4.3Å; Y19-G56 WeakPolarHBondContact CD1-O 3.34Å; Y19-R57 HydrophobicContact CD1-CB 4.22Å; Y19-R57 HydrophobicContact CD1-CG 4.23Å; Y19-R57 HydrophobicContact CE1-CB 3.95Å; Y19-R57 HydrophobicContact CE1-CG 3.84Å; Y19-R57 VanDerWaalsContact CZ-CD 3.44Å; Y19-R57 VanDerWaalsContact OH-CD 3.29Å; Y19-R57 WeakPolarHBondContact OH-CD 3.32Å; Y19-R57 PolarHBondContact OH-NH1 3.33Å | ||
| 20 | P | 65 | Low | 63.5 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -51.8 | -32.6 | 171.8 | -26.5 | 34.3 | 0 | 0 | 0 | 112.6 | Y22 L23 N24 G56 | P20-Y22 PolarHBondContact O-N 2.98Å; P20-L23 CarbonylContact O-C 3.46Å; P20-L23 PolarHBondContact O-N 3.03Å; P20-N24 VanDerWaalsContact O-CB 3.28Å; P20-N24 WeakPolarHBondContact O-CB 3.28Å; P20-N24 PolarHBondContact O-N 2.88Å; P20-N24 VanDerWaalsContact O-N 3.14Å; P20-G56 WeakPolarHBondContact CD-O 3.49Å |
| 21 | A | 56.9 | Low | 62.3 | Low | 37 Ų | 37 | 70.3 Ų | 70.3 | 31% | 0.306 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -57.7 | -26.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y19 L23 | Y19-A21 PolarHBondContact O-N 2.99Å; Y19-A21 VanDerWaalsContact O-N 3.13Å; A21-L23 VanDerWaalsContact C-N 3.3Å |
| 22 | Y | 53.3 | Low | 60.7 | Low | 102 Ų | 102 | 68.7 Ų | 68.7 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -79.3 | -15.7 | 176.8 | -56.5 | -23.2 | 0 | 0 | 0 | 113.1 | Y19 P20 Y44 M81 | Y19-Y22 HydrophobicContact CD2-CD2 4.47Å; Y19-Y22 AromaticContact CD2-CE2 3.68Å; Y19-Y22 HydrophobicContact CD2-CE2 3.68Å; Y19-Y22 AromaticContact CD2-CZ 3.74Å; Y19-Y22 HydrophobicContact CG-CE2 4.42Å; Y19-Y22 WeakPolarHBondContact O-CB 3.23Å; Y19-Y22 PolarHBondContact O-N 3.37Å; P20-Y22 PolarHBondContact O-N 2.98Å; Y22-Y44 HydrophobicContact CE1-CE1 4.29Å; Y22-Y44 HydrophobicContact CE1-CE2 4.1Å; Y22-Y44 AromaticContact CE1-CZ 3.91Å; Y22-Y44 AromaticContact CZ-CE2 3.99Å; Y22-Y44 WeakPolarHBondContact OH-CE2 3.43Å; Y22-M81 HydrophobicContact CD2-SD 4.36Å |
| 23 | L | 59.1 | Low | 59.5 | Low | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -115.1 | 4.1 | -175.4 | -70.4 | 170.4 | 0 | 0 | 0 | 112.7 | I18 P20 A21 M81 A84 I88 | I18-L23 HydrophobicContact CG2-CD1 3.66Å; I18-L23 HydrophobicContact CG2-CG 4.11Å; P20-L23 CarbonylContact O-C 3.46Å; P20-L23 PolarHBondContact O-N 3.03Å; A21-L23 VanDerWaalsContact C-N 3.3Å; L23-M81 HydrophobicContact CD2-CB 4.5Å; L23-M81 VanDerWaalsContact CD2-O 3.32Å; L23-M81 WeakPolarHBondContact CD2-O 3.15Å; L23-A84 HydrophobicContact CD1-CB 3.96Å; L23-A84 HydrophobicContact CD2-CB 3.53Å; L23-A84 HydrophobicContact CG-CB 4.42Å; L23-I88 HydrophobicContact CB-CD1 4.23Å; L23-I88 HydrophobicContact CD1-CD1 4.4Å |
| 24 | N | 54 | Low | 58.5 | Low | 53 Ų | 53 | 71.9 Ų | 71.9 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | trans | -122.8 | 131.1 | -172.8 | -162.4 | 7.3 | 0 | 0 | 0 | 110.9 | P20 K26 K27 | P20-N24 VanDerWaalsContact O-CB 3.28Å; P20-N24 WeakPolarHBondContact O-CB 3.28Å; P20-N24 PolarHBondContact O-N 2.88Å; P20-N24 VanDerWaalsContact O-N 3.14Å; N24-K26 PolarHBondContact OD1-N 2.79Å; N24-K27 VanDerWaalsContact CG-N 3.28Å; N24-K27 PolarHBondContact ND2-N 3.36Å; N24-K27 PolarHBondContact ND2-O 3.06Å; N24-K27 PolarHBondContact OD1-N 3.04Å | ||
| 25 | N | 47.9 | Very low | 57.2 | Low | 143 Ų | 143 | 67.7 Ų | 67.7 | 77% | 0.765 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -96.7 | -25 | 160.8 | 59.6 | 5.2 | 0 | 0 | 0 | 113.2 | ||
| 26 | K | 49.1 | Very low | 55.3 | Low | 188 Ų | 188 | 70.6 Ų | 70.6 | 82% | 0.817 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -162.2 | 24.1 | -177.4 | -62.3 | -167.4 | 177.7 | 178.1 | 0 | 120.7 | N24 | N24-K26 PolarHBondContact OD1-N 2.79Š|
| 27 | K | 52.3 | Low | 53.5 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | trans | -137.6 | 160.9 | -166.4 | -73.3 | -164.3 | 174.8 | -118.3 | 0 | 122.8 | N24 E31 | N24-K27 VanDerWaalsContact CG-N 3.28Å; N24-K27 PolarHBondContact ND2-N 3.36Å; N24-K27 PolarHBondContact ND2-O 3.06Å; N24-K27 PolarHBondContact OD1-N 3.04Å; K27-E31 VanDerWaalsContact CA-OE2 3.24Å; K27-E31 WeakPolarHBondContact CA-OE2 3.39Å; K27-E31 HydrophobicContact CB-CB 3.99Å; K27-E31 HydrophobicContact CB-CG 4.46Å; K27-E31 WeakPolarHBondContact CB-OE2 3.17Å; K27-E31 HydrophobicContact CD-CB 4.15Å; K27-E31 VanDerWaalsContact CD-CD 3.48Å; K27-E31 HydrophobicContact CD-CG 4.3Å; K27-E31 VanDerWaalsContact CD-OE1 3.3Å; K27-E31 WeakPolarHBondContact CD-OE1 3.33Å; K27-E31 WeakPolarHBondContact CE-OE1 3.33Å; K27-E31 WeakPolarHBondContact CG-OE2 3.36Å; K27-E31 IonicContact NZ-OE1 2.71Å; K27-E31 PolarHBondContact NZ-OE1 2.9Å | ||
| 28 | T | 49.2 | Very low | 52 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | trans | -108.7 | -175.9 | -159.5 | 71.4 | 0 | 0 | 0 | 0 | 117.3 | E31 | T28-E31 WeakPolarHBondContact CB-OE2 3.17Å; T28-E31 PolarHBondContact N-OE2 2.82Å; T28-E31 WeakPolarHBondContact O-CA 3.23Å; T28-E31 VanDerWaalsContact O-CB 3.24Å; T28-E31 WeakPolarHBondContact O-CB 3.29Å; T28-E31 PolarHBondContact O-N 2.86Å; T28-E31 VanDerWaalsContact OG1-CD 3.29Å; T28-E31 VanDerWaalsContact OG1-CG 3.3Å; T28-E31 WeakPolarHBondContact OG1-CG 3.29Å; T28-E31 PolarHBondContact OG1-OE2 3.4Å | ||
| 29 | I | 40.3 | Very low | 51 | Low | 75 Ų | 75 | 81.9 Ų | 81.9 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -69 | -37.4 | -173.8 | -59.9 | 175.3 | 0 | 0 | 0 | 114 | E31 G32 V52 Q53 | I29-E31 PolarHBondContact O-N 3Å; I29-E31 VanDerWaalsContact O-N 3.11Å; I29-G32 PolarHBondContact O-N 2.65Å; I29-V52 HydrophobicContact CD1-CB 3.75Å; I29-V52 HydrophobicContact CD1-CG1 3.46Å; I29-V52 VanDerWaalsContact CD1-CG1 3.46Å; I29-Q53 HydrophobicContact CG1-CB 4.45Å |
| 30 | A | 42.1 | Very low | 50.4 | Low | 85 Ų | 85 | 83.3 Ų | 83.3 | 70% | 0.702 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -66.2 | -6.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 31 | E | 46.3 | Very low | 50.4 | Low | 35 Ų | 35 | 88.2 Ų | 88.2 | 16% | 0.164 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -110 | 14.9 | -173.1 | -54.2 | -177.8 | 117.8 | 0 | 0 | 113.1 | K27 T28 I29 K97 | K27-E31 VanDerWaalsContact CA-OE2 3.24Å; K27-E31 WeakPolarHBondContact CA-OE2 3.39Å; K27-E31 HydrophobicContact CB-CB 3.99Å; K27-E31 HydrophobicContact CB-CG 4.46Å; K27-E31 WeakPolarHBondContact CB-OE2 3.17Å; K27-E31 HydrophobicContact CD-CB 4.15Å; K27-E31 VanDerWaalsContact CD-CD 3.48Å; K27-E31 HydrophobicContact CD-CG 4.3Å; K27-E31 VanDerWaalsContact CD-OE1 3.3Å; K27-E31 WeakPolarHBondContact CD-OE1 3.33Å; K27-E31 WeakPolarHBondContact CE-OE1 3.33Å; K27-E31 WeakPolarHBondContact CG-OE2 3.36Å; K27-E31 IonicContact NZ-OE1 2.71Å; K27-E31 PolarHBondContact NZ-OE1 2.9Å; T28-E31 WeakPolarHBondContact CB-OE2 3.17Å; T28-E31 PolarHBondContact N-OE2 2.82Å; T28-E31 WeakPolarHBondContact O-CA 3.23Å; T28-E31 VanDerWaalsContact O-CB 3.24Å; T28-E31 WeakPolarHBondContact O-CB 3.29Å; T28-E31 PolarHBondContact O-N 2.86Å; T28-E31 VanDerWaalsContact OG1-CD 3.29Å; T28-E31 VanDerWaalsContact OG1-CG 3.3Å; T28-E31 WeakPolarHBondContact OG1-CG 3.29Å; T28-E31 PolarHBondContact OG1-OE2 3.4Å; I29-E31 PolarHBondContact O-N 3Å; I29-E31 VanDerWaalsContact O-N 3.11Å; E31-K97 IonicContact OE1-NZ 3.95Å; E31-K97 PolarHBondContact OE1-NZ 3.43Å |
| 32 | G | 45.3 | Very low | 51.2 | Low | 32 Ų | 32 | 91.7 Ų | 91.7 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.4 | 15.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | I29 R34 | I29-G32 PolarHBondContact O-N 2.65Å; G32-R34 PolarHBondContact O-N 2.89Å |
| 33 | R | 46.7 | Very low | 52.2 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 24% | 0.238 | 47% | 0.465 | C | S | . | . | trans | -71.1 | 100.6 | 179.8 | -169.8 | -179.9 | 66 | 133.2 | 0.8 | 112 | I35 R55 | R33-I35 HydrophobicContact CG-CD1 4.33Å; R33-I35 HydrophobicContact CG-CG1 4.33Å; R33-R55 PolarHBondContact NH1-O 3.17Å | ||
| 34 | R | 51.5 | Low | 53 | Low | 239 Ų | 239 | 90 Ų | 90 | 90% | 0.902 | 46% | 0.463 | S | S | * | . | trans | -105.2 | 71.7 | -179.7 | -78.4 | -174.1 | 152.6 | -122.8 | -2 | 113.2 | G32 | G32-R34 PolarHBondContact O-N 2.89Š| ||
| 35 | I | 52.9 | Low | 54.1 | Low | 29 Ų | 29 | 93.3 Ų | 93.3 | 15% | 0.149 | 49% | 0.49 | C | S | . | . | trans | -122.7 | 135.2 | 177.1 | -44.2 | 174.7 | 0 | 0 | 0 | 110.5 | R33 K40 V58 | R33-I35 HydrophobicContact CG-CD1 4.33Å; R33-I35 HydrophobicContact CG-CG1 4.33Å; I35-K40 WeakPolarHBondContact O-CE 3.49Å; I35-V58 HydrophobicContact CD1-CG2 3.52Å; I35-V58 HydrophobicContact CG1-CG2 4.01Å | ||
| 36 | P | 43.4 | Very low | 55.6 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | trans | -64.5 | 154.8 | 177 | 24.1 | -33.4 | 0 | 0 | 0 | 113.6 | S38 K39 K40 | P36-S38 VanDerWaalsContact C-N 3.33Å; P36-S38 PolarHBondContact O-N 3.01Å; P36-S38 VanDerWaalsContact O-N 3.17Å; P36-K39 PolarHBondContact O-N 3.1Å; P36-K40 WeakPolarHBondContact O-CG 3.45Å | ||
| 37 | I | 45.2 | Very low | 56.9 | Low | 132 Ų | 132 | 89.2 Ų | 89.2 | 68% | 0.677 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -58.4 | -35.8 | -160.4 | -38.7 | -146.2 | 0 | 0 | 0 | 114.4 | K39 K40 | I37-K39 PolarHBondContact O-N 2.86Å; I37-K40 HydrophobicContact CB-CD 4.14Å; I37-K40 VanDerWaalsContact CD1-NZ 3.32Å; I37-K40 HydrophobicContact CG1-CD 4.43Å; I37-K40 HydrophobicContact CG2-CD 4.03Å; I37-K40 PolarHBondContact O-N 2.9Å |
| 38 | S | 46.8 | Very low | 58.1 | Low | 113 Ų | 113 | 96 Ų | 96 | 79% | 0.79 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -68.3 | -11.7 | -172.2 | 78.7 | 0 | 0 | 0 | 0 | 115.1 | P36 | P36-S38 VanDerWaalsContact C-N 3.33Å; P36-S38 PolarHBondContact O-N 3.01Å; P36-S38 VanDerWaalsContact O-N 3.17Å |
| 39 | K | 54.5 | Low | 59.4 | Low | 59 Ų | 59 | 94.6 Ų | 94.6 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -120.3 | 7.9 | 178.3 | -67.4 | 174.7 | -178.4 | 163.4 | 0 | 113.9 | P36 I37 N41 R59 | P36-K39 PolarHBondContact O-N 3.1Å; I37-K39 PolarHBondContact O-N 2.86Å; K39-N41 VanDerWaalsContact C-N 3.32Å; K39-N41 PolarHBondContact O-N 2.95Å; K39-R59 HydrophobicContact CD-CG 4.26Å |
| 40 | K | 57.6 | Low | 61.3 | Low | 60 Ų | 60 | 99.3 Ų | 99.3 | 26% | 0.261 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.2 | -173.8 | -68.5 | -177.3 | -176.7 | 171.7 | 0 | 114.9 | I35 P36 I37 R55 | I35-K40 WeakPolarHBondContact O-CE 3.49Å; P36-K40 WeakPolarHBondContact O-CG 3.45Å; I37-K40 HydrophobicContact CB-CD 4.14Å; I37-K40 VanDerWaalsContact CD1-NZ 3.32Å; I37-K40 HydrophobicContact CG1-CD 4.43Å; I37-K40 HydrophobicContact CG2-CD 4.03Å; I37-K40 PolarHBondContact O-N 2.9Å; K40-R55 WeakPolarHBondContact O-CB 3.28Å |
| 41 | N | 64.9 | Low | 62.9 | Low | 130 Ų | 130 | 99.2 Ų | 99.2 | 70% | 0.695 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 1.9 | -172.6 | -70.7 | -2.2 | 0 | 0 | 0 | 114.4 | K39 M43 | K39-N41 VanDerWaalsContact C-N 3.32Å; K39-N41 PolarHBondContact O-N 2.95Å; N41-M43 PolarHBondContact O-N 3.21Å |
| 42 | K | 73.8 | Confident | 64 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | trans | -74 | 125.4 | 175.5 | -80.5 | -71 | -177.7 | -174.1 | 0 | 109.9 | G56 R57 | K42-G56 CarbonylContact O-C 3.57Å; K42-G56 PolarHBondContact O-N 2.96Å; K42-R57 HydrophobicContact CB-CB 3.77Å | ||
| 43 | M | 72.9 | Confident | 65.1 | Low | 63 Ų | 63 | 101.9 Ų | 101.9 | 31% | 0.31 | 48% | 0.484 | S | S | . | . | trans | -104.9 | 147.3 | 179.9 | -158.4 | 152 | 74.7 | 0 | 0 | 109.7 | N41 R50 R55 | N41-M43 PolarHBondContact O-N 3.21Å; M43-R50 HydrophobicContact CE-CG 3.83Å; M43-R50 HydrophobicContact SD-CB 4.24Å; M43-R50 HydrophobicContact SD-CG 4.01Å; M43-R55 HydrophobicContact SD-CG 4.49Å | ||
| 44 | Y | 76.8 | Confident | 66.2 | Low | 54 Ų | 54 | 102.2 Ų | 102.2 | 21% | 0.212 | 49% | 0.485 | C | S | . | . | trans | -76.9 | 129.9 | 171.7 | 179.3 | -129 | 0 | 0 | 0 | 108.9 | Y19 Y22 R46 E47 | Y19-Y44 AromaticContact CD2-CD2 3.74Å; Y19-Y44 HydrophobicContact CD2-CD2 3.74Å; Y19-Y44 HydrophobicContact CD2-CE2 4.4Å; Y19-Y44 HydrophobicContact CD2-CG 4.38Å; Y19-Y44 AromaticContact CE2-CD2 3.84Å; Y19-Y44 HydrophobicContact CE2-CD2 3.84Å; Y19-Y44 HydrophobicContact CG-CD2 4.11Å; Y19-Y44 HydrophobicContact CG-CG 4.3Å; Y22-Y44 HydrophobicContact CE1-CE1 4.29Å; Y22-Y44 HydrophobicContact CE1-CE2 4.1Å; Y22-Y44 AromaticContact CE1-CZ 3.91Å; Y22-Y44 AromaticContact CZ-CE2 3.99Å; Y22-Y44 WeakPolarHBondContact OH-CE2 3.43Å; Y44-R46 HydrophobicContact CD1-CB 4.07Å; Y44-R46 HydrophobicContact CE1-CB 3.61Å; Y44-R46 HydrophobicContact CE1-CG 4.35Å; Y44-R46 PolarHBondContact O-N 3.32Å; Y44-R46 VanDerWaalsContact O-N 3.1Å; Y44-E47 HydrophobicContact CD1-CB 4.21Å; Y44-E47 WeakPolarHBondContact O-CB 2.91Å; Y44-E47 PolarHBondContact O-N 2.9Å | ||
| 45 | S | 77.7 | Confident | 67.2 | Low | 122 Ų | 122 | 94.7 Ų | 94.7 | 85% | 0.853 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.2 | -171.4 | -52.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 46 | R | 77.6 | Confident | 68.3 | Low | 210 Ų | 210 | 93.3 Ų | 93.3 | 79% | 0.792 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.5 | 178 | -60.4 | 171.8 | 64.5 | -174.4 | 4.2 | 113.1 | Y44 W48 | Y44-R46 HydrophobicContact CD1-CB 4.07Å; Y44-R46 HydrophobicContact CE1-CB 3.61Å; Y44-R46 HydrophobicContact CE1-CG 4.35Å; Y44-R46 PolarHBondContact O-N 3.32Å; Y44-R46 VanDerWaalsContact O-N 3.1Å; R46-W48 PolarHBondContact O-N 3.47Å |
| 47 | E | 76.6 | Confident | 70.1 | Confident | 35 Ų | 35 | 91 Ų | 91 | 16% | 0.164 | 43% | 0.429 | C | S | . | . | trans | -80 | 116.5 | 174.3 | -179.9 | 58.9 | -97.1 | 0 | 0 | 108.9 | Y44 N49 Y54 | Y44-E47 HydrophobicContact CD1-CB 4.21Å; Y44-E47 WeakPolarHBondContact O-CB 2.91Å; Y44-E47 PolarHBondContact O-N 2.9Å; E47-N49 WeakPolarHBondContact CG-O 3.41Å; E47-N49 PolarHBondContact OE1-N 3.29Å; E47-N49 VanDerWaalsContact OE1-N 3.17Å; E47-Y54 HydrophobicContact CG-CG 4.33Å | ||
| 48 | W | 78.7 | Confident | 71.7 | Confident | 217 Ų | 217 | 87.2 Ų | 87.2 | 82% | 0.822 | 41% | 0.411 | S | S | * | . | trans | -81.5 | -31.4 | -177.7 | 72.3 | -81 | 0 | 0 | 0 | 111 | R46 R50 | R46-W48 PolarHBondContact O-N 3.47Å; W48-R50 PolarHBondContact O-N 3.35Å | ||
| 49 | N | 76.4 | Confident | 73.4 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 14% | 0.139 | 38% | 0.383 | C | S | . | . | trans | -82.5 | 119.2 | -177.7 | -169.8 | -30.1 | 0 | 0 | 0 | 110.7 | E47 D51 Y54 | E47-N49 WeakPolarHBondContact CG-O 3.41Å; E47-N49 PolarHBondContact OE1-N 3.29Å; E47-N49 VanDerWaalsContact OE1-N 3.17Å; N49-D51 PolarHBondContact ND2-OD2 3.33Å; N49-D51 VanDerWaalsContact OD1-CB 3.29Å; N49-D51 WeakPolarHBondContact OD1-CB 3.45Å; N49-D51 PolarHBondContact OD1-N 3.09Å; N49-D51 PolarHBondContact OD1-OD1 2.91Å; N49-D51 PolarHBondContact OD1-OD2 3.34Å; N49-D51 VanDerWaalsContact OD1-OD2 3.09Å; N49-Y54 HydrophobicContact CB-CD2 3.57Å; N49-Y54 HydrophobicContact CB-CE2 3.69Å; N49-Y54 HydrophobicContact CB-CG 4.28Å; N49-Y54 WeakPolarHBondContact ND2-CE2 3.35Å | ||
| 50 | R | 79.7 | Confident | 74.8 | Confident | 175 Ų | 175 | 83.3 Ų | 83.3 | 66% | 0.66 | 38% | 0.382 | S | S | * | . | trans | -91.7 | 5.8 | -175.5 | -58.7 | -167.7 | 177.8 | -171.6 | 0.8 | 114 | M43 W48 R55 | M43-R50 HydrophobicContact CE-CG 3.83Å; M43-R50 HydrophobicContact SD-CB 4.24Å; M43-R50 HydrophobicContact SD-CG 4.01Å; W48-R50 PolarHBondContact O-N 3.35Å; R50-R55 VanDerWaalsContact O-CZ 3.25Å; R50-R55 PolarHBondContact O-NE 3.22Å; R50-R55 PolarHBondContact O-NH2 3.06Å | ||
| 51 | D | 75.3 | Confident | 76.2 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -59 | 151.6 | 178.2 | -65.8 | -23.9 | 0 | 0 | 0 | 111.5 | N49 Q53 Y54 | N49-D51 PolarHBondContact ND2-OD2 3.33Å; N49-D51 VanDerWaalsContact OD1-CB 3.29Å; N49-D51 WeakPolarHBondContact OD1-CB 3.45Å; N49-D51 PolarHBondContact OD1-N 3.09Å; N49-D51 PolarHBondContact OD1-OD1 2.91Å; N49-D51 PolarHBondContact OD1-OD2 3.34Å; N49-D51 VanDerWaalsContact OD1-OD2 3.09Å; D51-Q53 HydrophobicContact CB-CG 3.63Å; D51-Q53 PolarHBondContact O-N 3.47Å; D51-Q53 PolarHBondContact OD2-NE2 3.31Å; D51-Y54 HydrophobicContact CB-CD2 4.03Å; D51-Y54 HydrophobicContact CB-CE2 4.39Å; D51-Y54 PolarHBondContact O-N 3.37Å |
| 52 | V | 70.1 | Confident | 77.2 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.5 | -176.4 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | I29 R55 | I29-V52 HydrophobicContact CD1-CB 3.75Å; I29-V52 HydrophobicContact CD1-CG1 3.46Å; I29-V52 VanDerWaalsContact CD1-CG1 3.46Å; V52-R55 PolarHBondContact O-N 3.29Å |
| 53 | Q | 68.7 | Low | 77.8 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -34.8 | 176.5 | 55 | 173 | -20.1 | 0 | 0 | 114.3 | I29 D51 | I29-Q53 HydrophobicContact CG1-CB 4.45Å; D51-Q53 HydrophobicContact CB-CG 3.63Å; D51-Q53 PolarHBondContact O-N 3.47Å; D51-Q53 PolarHBondContact OD2-NE2 3.31Å |
| 54 | Y | 68.9 | Low | 78.5 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.5 | -178.3 | -61.4 | -75.3 | 0 | 0 | 0 | 112.7 | E47 N49 D51 | E47-Y54 HydrophobicContact CG-CG 4.33Å; N49-Y54 HydrophobicContact CB-CD2 3.57Å; N49-Y54 HydrophobicContact CB-CE2 3.69Å; N49-Y54 HydrophobicContact CB-CG 4.28Å; N49-Y54 WeakPolarHBondContact ND2-CE2 3.35Å; D51-Y54 HydrophobicContact CB-CD2 4.03Å; D51-Y54 HydrophobicContact CB-CE2 4.39Å; D51-Y54 PolarHBondContact O-N 3.37Å |
| 55 | R | 73.3 | Confident | 78.9 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 30% | 0.302 | 39% | 0.387 | S | S | . | . | trans | -80.1 | 145.5 | 175.3 | -57.6 | -179.5 | -168.9 | -174.6 | 0.8 | 110.8 | R33 K40 M43 R50 V52 | R33-R55 PolarHBondContact NH1-O 3.17Å; K40-R55 WeakPolarHBondContact O-CB 3.28Å; M43-R55 HydrophobicContact SD-CG 4.49Å; R50-R55 VanDerWaalsContact O-CZ 3.25Å; R50-R55 PolarHBondContact O-NE 3.22Å; R50-R55 PolarHBondContact O-NH2 3.06Å; V52-R55 PolarHBondContact O-N 3.29Å | ||
| 56 | G | 75.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | 139.1 | 148.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y19 P20 K42 | Y19-G56 WeakPolarHBondContact CD1-O 3.34Å; P20-G56 WeakPolarHBondContact CD-O 3.49Å; K42-G56 CarbonylContact O-C 3.57Å; K42-G56 PolarHBondContact O-N 2.96Å | ||
| 57 | R | 80.5 | Confident | 79.5 | Confident | 49 Ų | 49 | 76 Ų | 76 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | trans | -144.4 | 120.9 | 173.4 | -173.5 | 169.1 | 69.3 | 178 | 8.4 | 109.5 | C17 Y19 K42 | C17-R57 HydrophobicContact CB-CG 4.24Å; Y19-R57 HydrophobicContact CD1-CB 4.22Å; Y19-R57 HydrophobicContact CD1-CG 4.23Å; Y19-R57 HydrophobicContact CE1-CB 3.95Å; Y19-R57 HydrophobicContact CE1-CG 3.84Å; Y19-R57 VanDerWaalsContact CZ-CD 3.44Å; Y19-R57 VanDerWaalsContact OH-CD 3.29Å; Y19-R57 WeakPolarHBondContact OH-CD 3.32Å; Y19-R57 PolarHBondContact OH-NH1 3.33Å; K42-R57 HydrophobicContact CB-CB 3.77Å | ||
| 58 | V | 80.3 | Confident | 80.1 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.8 | 173.2 | -174 | 0 | 0 | 0 | 0 | 107.7 | I18 I35 V60 | I18-V58 HydrophobicContact CB-CB 4.34Å; I18-V58 PolarHBondContact N-O 2.79Å; I18-V58 PolarHBondContact O-N 3.37Å; I35-V58 HydrophobicContact CD1-CG2 3.52Å; I35-V58 HydrophobicContact CG1-CG2 4.01Å; V58-V60 HydrophobicContact CG1-CG2 3.79Å |
| 59 | R | 81.6 | Confident | 80.6 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.5 | 169.5 | -62.5 | -167.3 | 82.2 | 156.5 | 23.6 | 107.8 | Q12 D13 F15 I16 K39 | Q12-R59 VanDerWaalsContact C-CZ 3.44Å; Q12-R59 PolarHBondContact O-NE 2.89Å; Q12-R59 PolarHBondContact O-NH1 2.75Å; Q12-R59 VanDerWaalsContact O-NH1 3.09Å; Q12-R59 PolarHBondContact O-NH2 3.48Å; D13-R59 PolarHBondContact O-NH2 3.25Å; D13-R59 IonicContact OD1-CZ 2.68Å; D13-R59 IonicContact OD1-NH1 3.95Å; D13-R59 PolarHBondContact OD1-NH1 3.21Å; D13-R59 IonicContact OD1-NH2 2.98Å; F15-R59 HydrophobicContact CB-CB 3.91Å; F15-R59 HydrophobicContact CD2-CB 4.12Å; I16-R59 VanDerWaalsContact O-CA 3.29Å; I16-R59 WeakPolarHBondContact O-CA 3.34Å; K39-R59 HydrophobicContact CD-CG 4.26Å |
| 60 | V | 84.6 | Confident | 81.1 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.4 | 179.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | F15 I16 I18 V58 | F15-V60 CarbonylContact C-O 3.59Å; F15-V60 WeakPolarHBondContact CA-O 3.2Å; F15-V60 WeakPolarHBondContact CB-O 3.39Å; I16-V60 HydrophobicContact CD1-CB 4.07Å; I16-V60 HydrophobicContact CG1-CB 3.69Å; I16-V60 WeakPolarHBondContact CG1-O 3.01Å; I16-V60 PolarHBondContact N-O 3.48Å; I16-V60 PolarHBondContact O-N 2.87Å; I18-V60 HydrophobicContact CD1-CG2 3.97Å; V58-V60 HydrophobicContact CG1-CG2 3.79Å |
| 61 | Q | 85.7 | Confident | 81.5 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | trans | -81.7 | 124.3 | 170.4 | -170.1 | 177.1 | -1.4 | 0 | 0 | 108.8 | F15 K63 | F15-Q61 HydrophobicContact CD1-CB 3.96Å; F15-Q61 HydrophobicContact CD1-CG 4.04Å; F15-Q61 HydrophobicContact CD2-CB 4.33Å; F15-Q61 HydrophobicContact CE1-CB 3.63Å; F15-Q61 HydrophobicContact CE1-CG 3.47Å; F15-Q61 VanDerWaalsContact CE1-CG 3.47Å; F15-Q61 HydrophobicContact CE2-CB 4.03Å; F15-Q61 HydrophobicContact CG-CB 4.32Å; F15-Q61 HydrophobicContact CZ-CB 3.67Å; F15-Q61 HydrophobicContact CZ-CG 3.84Å; Q61-K63 VanDerWaalsContact CG-O 3.23Å; Q61-K63 WeakPolarHBondContact CG-O 3.29Å; Q61-K63 PolarHBondContact NE2-O 2.9Å | ||
| 62 | L | 85.8 | Confident | 82.1 | Confident | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | trans | -99.7 | -33.2 | 173.4 | -74.7 | -174.3 | 0 | 0 | 0 | 112.3 | I16 L69 C70 R77 V80 | I16-L62 HydrophobicContact CD1-CD1 3.99Å; I16-L62 HydrophobicContact CD1-CD2 4.04Å; I16-L62 HydrophobicContact CD1-CG 3.88Å; I16-L62 HydrophobicContact CG1-CD1 4.48Å; I16-L62 HydrophobicContact CG1-CG 4.19Å; I16-L62 HydrophobicContact CG2-CD1 3.59Å; I16-L62 HydrophobicContact CG2-CG 3.88Å; L62-L69 WeakPolarHBondContact O-CA 3.42Å; L62-C70 PolarHBondContact O-N 3.49Å; L62-R77 HydrophobicContact CD1-CG 4.01Å; L62-V80 HydrophobicContact CD2-CG2 3.74Å | ||
| 63 | K | 87.9 | Confident | 83 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 144.4 | -173 | -66.3 | -175.1 | 176 | -162.6 | 0 | 110.7 | P9 Q61 S68 L69 C70 | P9-K63 HydrophobicContact CB-CB 3.72Å; Q61-K63 VanDerWaalsContact CG-O 3.23Å; Q61-K63 WeakPolarHBondContact CG-O 3.29Å; Q61-K63 PolarHBondContact NE2-O 2.9Å; K63-S68 CarbonylContact C-O 3.57Å; K63-S68 WeakPolarHBondContact CA-O 3.19Å; K63-L69 HydrophobicContact CG-CD2 4.25Å; K63-C70 VanDerWaalsContact C-SG 3.55Å |
| 64 | Q | 87.1 | Confident | 84 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | trans | -78.3 | 179.3 | 169.7 | -61.1 | -173.3 | 95.2 | 0 | 0 | 109.8 | D66 G67 S68 | Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 VanDerWaalsContact CB-OD1 3.28Å; Q64-D66 WeakPolarHBondContact CB-OD1 3.27Å; Q64-D66 PolarHBondContact O-N 3.13Å; Q64-G67 PolarHBondContact O-N 3.21Å; Q64-G67 VanDerWaalsContact O-N 3.15Å; Q64-S68 PolarHBondContact N-O 2.86Å; Q64-S68 PolarHBondContact NE2-OG 2.92Å | ||
| 65 | E | 85.2 | Confident | 84.9 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -35.5 | -178.9 | 179.3 | 163.7 | -153.9 | 0 | 0 | 112.5 | S8 A10 G67 | S8-E65 WeakPolarHBondContact OG-CG 3.29Å; A10-E65 HydrophobicContact CB-CB 4.08Å; E65-G67 PolarHBondContact O-N 3.14Å |
| 66 | D | 85.8 | Confident | 85.7 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 65% | 0.647 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.9 | 174.8 | 67 | -2.1 | 0 | 0 | 0 | 114.1 | Q64 S68 | Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 VanDerWaalsContact CB-OD1 3.28Å; Q64-D66 WeakPolarHBondContact CB-OD1 3.27Å; Q64-D66 PolarHBondContact O-N 3.13Å; D66-S68 VanDerWaalsContact C-N 3.29Å; D66-S68 PolarHBondContact O-N 3.17Å; D66-S68 VanDerWaalsContact OD1-CB 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.32Å; D66-S68 PolarHBondContact OD1-N 3Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.24Å |
| 67 | G | 82.3 | Confident | 86.1 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 83 | -3.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q64 E65 | Q64-G67 PolarHBondContact O-N 3.21Å; Q64-G67 VanDerWaalsContact O-N 3.15Å; E65-G67 PolarHBondContact O-N 3.14Å |
| 68 | S | 88.3 | Confident | 86 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | trans | -66.8 | 155.3 | 171.9 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | K63 Q64 D66 | K63-S68 CarbonylContact C-O 3.57Å; K63-S68 WeakPolarHBondContact CA-O 3.19Å; Q64-S68 PolarHBondContact N-O 2.86Å; Q64-S68 PolarHBondContact NE2-OG 2.92Å; D66-S68 VanDerWaalsContact C-N 3.29Å; D66-S68 PolarHBondContact O-N 3.17Å; D66-S68 VanDerWaalsContact OD1-CB 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.32Å; D66-S68 PolarHBondContact OD1-N 3Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.24Å | ||
| 69 | L | 89.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 133.4 | 176.8 | -66.4 | 170.2 | 0 | 0 | 0 | 109.9 | L62 K63 L71 P75 | L62-L69 WeakPolarHBondContact O-CA 3.42Å; K63-L69 HydrophobicContact CG-CD2 4.25Å; L69-L71 PolarHBondContact O-N 2.97Å; L69-P75 HydrophobicContact CD1-CB 3.89Å |
| 70 | C | 87.6 | Confident | 86.6 | Confident | 45 Ų | 45 | 79 Ų | 79 | 30% | 0.304 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -59.4 | -37.8 | 173.8 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | L62 K63 | L62-C70 PolarHBondContact O-N 3.49Å; K63-C70 VanDerWaalsContact C-SG 3.55Å |
| 71 | L | 87.4 | Confident | 86.3 | Confident | 105 Ų | 105 | 79.7 Ų | 79.7 | 55% | 0.55 | 41% | 0.414 | S | S | . | . | trans | -138.2 | 123.1 | 176.2 | -68.3 | 174.8 | 0 | 0 | 0 | 108.9 | L69 Q73 F74 | L69-L71 PolarHBondContact O-N 2.97Å; L71-Q73 PolarHBondContact O-N 3.48Å; L71-F74 HydrophobicContact CB-CD2 3.91Å; L71-F74 HydrophobicContact CD1-CD2 3.8Å; L71-F74 HydrophobicContact CD1-CE2 4.05Å; L71-F74 CarbonylContact O-C 3.51Å; L71-F74 PolarHBondContact O-N 3.43Å | ||
| 72 | V | 88.6 | Confident | 86.2 | Confident | 135 Ų | 135 | 81.2 Ų | 81.2 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.5 | 180 | -64.6 | 0 | 0 | 0 | 0 | 113 | F74 | V72-F74 PolarHBondContact O-N 2.98Š|
| 73 | Q | 89 | Confident | 86.2 | Confident | 128 Ų | 128 | 84.4 Ų | 84.4 | 60% | 0.598 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.4 | 175 | -170.4 | 175.5 | 18.7 | 0 | 0 | 112.9 | L71 P75 | L71-Q73 PolarHBondContact O-N 3.48Å; Q73-P75 WeakPolarHBondContact O-CD 3.42Å |
| 74 | F | 89.3 | Confident | 85.9 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | trans | -118.3 | 68.3 | -176.5 | -61.4 | -60.1 | 0 | 0 | 0 | 112.3 | L71 V72 S76 S79 V80 Y83 | L71-F74 HydrophobicContact CB-CD2 3.91Å; L71-F74 HydrophobicContact CD1-CD2 3.8Å; L71-F74 HydrophobicContact CD1-CE2 4.05Å; L71-F74 CarbonylContact O-C 3.51Å; L71-F74 PolarHBondContact O-N 3.43Å; V72-F74 PolarHBondContact O-N 2.98Å; F74-S76 VanDerWaalsContact C-N 3.25Å; F74-S76 PolarHBondContact O-N 3.09Å; F74-S79 WeakPolarHBondContact CA-OG 3.43Å; F74-V80 HydrophobicContact CB-CG2 3.73Å; F74-V80 HydrophobicContact CD1-CB 4.42Å; F74-V80 HydrophobicContact CD1-CG2 3.77Å; F74-V80 HydrophobicContact CG-CG2 3.86Å; F74-Y83 AromaticContact CE1-CD1 3.83Å; F74-Y83 HydrophobicContact CE1-CD1 3.83Å; F74-Y83 HydrophobicContact CE1-CD2 4.29Å; F74-Y83 AromaticContact CE1-CG 3.63Å; F74-Y83 HydrophobicContact CE1-CG 3.63Å; F74-Y83 AromaticContact CZ-CD1 3.52Å; F74-Y83 HydrophobicContact CZ-CD1 3.52Å; F74-Y83 HydrophobicContact CZ-CD2 4.18Å; F74-Y83 AromaticContact CZ-CE1 3.88Å; F74-Y83 HydrophobicContact CZ-CE1 3.88Å; F74-Y83 HydrophobicContact CZ-CE2 4.49Å; F74-Y83 AromaticContact CZ-CG 3.68Å; F74-Y83 HydrophobicContact CZ-CG 3.68Å | ||
| 75 | P | 89.5 | Confident | 85.5 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | trans | -71.7 | -20.1 | -179.7 | 29.5 | -36.3 | 0 | 0 | 0 | 113.4 | L69 Q73 S79 | L69-P75 HydrophobicContact CD1-CB 3.89Å; Q73-P75 WeakPolarHBondContact O-CD 3.42Å; P75-S79 WeakPolarHBondContact CD-OG 3.24Å | ||
| 76 | S | 88.4 | Confident | 85.4 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -138.9 | 161.8 | -173.1 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | F74 K78 S79 V80 | F74-S76 VanDerWaalsContact C-N 3.25Å; F74-S76 PolarHBondContact O-N 3.09Å; S76-K78 PolarHBondContact O-N 3.28Å; S76-K78 PolarHBondContact OG-N 3.03Å; S76-S79 PolarHBondContact N-OG 3.02Å; S76-S79 PolarHBondContact O-N 3Å; S76-S79 PolarHBondContact O-OG 3.03Å; S76-S79 PolarHBondContact OG-N 2.78Å; S76-S79 VanDerWaalsContact OG-N 3.09Å; S76-S79 PolarHBondContact OG-OG 3.4Å; S76-V80 PolarHBondContact O-N 3.48Å |
| 77 | R | 83.8 | Confident | 85.2 | Confident | 161 Ų | 161 | 74.3 Ų | 74.3 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -56.5 | -37.3 | 169 | -65.5 | 176 | -175.7 | 168.5 | 1.3 | 111.4 | I16 L62 V80 M81 | I16-R77 HydrophobicContact CB-CG 4Å; I16-R77 HydrophobicContact CD1-CB 4.29Å; I16-R77 HydrophobicContact CD1-CG 3.83Å; I16-R77 HydrophobicContact CG2-CG 3.69Å; I16-R77 VanDerWaalsContact CG2-NE 3.26Å; L62-R77 HydrophobicContact CD1-CG 4.01Å; R77-V80 PolarHBondContact O-N 3.25Å; R77-M81 WeakPolarHBondContact O-CG 3.46Å; R77-M81 PolarHBondContact O-N 3.09Å; R77-M81 VanDerWaalsContact O-N 3.09Å |
| 78 | K | 79.8 | Confident | 85 | Confident | 141 Ų | 141 | 75.3 Ų | 75.3 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | -177.9 | -169.1 | 177.1 | -179.6 | -178.7 | 0 | 111.5 | S76 V80 M81 L82 | S76-K78 PolarHBondContact O-N 3.28Å; S76-K78 PolarHBondContact OG-N 3.03Å; K78-V80 PolarHBondContact O-N 3.19Å; K78-M81 PolarHBondContact O-N 3.41Å; K78-L82 HydrophobicContact CG-CD1 4.13Å; K78-L82 HydrophobicContact CG-CG 4.43Å; K78-L82 WeakPolarHBondContact O-CG 3.3Å; K78-L82 PolarHBondContact O-N 2.94Å |
| 79 | S | 87.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 76 Ų | 76 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | F74 P75 S76 M81 L82 Y83 | F74-S79 WeakPolarHBondContact CA-OG 3.43Å; P75-S79 WeakPolarHBondContact CD-OG 3.24Å; S76-S79 PolarHBondContact N-OG 3.02Å; S76-S79 PolarHBondContact O-N 3Å; S76-S79 PolarHBondContact O-OG 3.03Å; S76-S79 PolarHBondContact OG-N 2.78Å; S76-S79 VanDerWaalsContact OG-N 3.09Å; S76-S79 PolarHBondContact OG-OG 3.4Å; S79-M81 PolarHBondContact O-N 3.18Å; S79-L82 PolarHBondContact O-N 2.99Å; S79-Y83 WeakPolarHBondContact O-CB 3.45Å; S79-Y83 PolarHBondContact O-N 2.88Å |
| 80 | V | 86 | Confident | 84.1 | Confident | 19 Ų | 19 | 79.1 Ų | 79.1 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | I18 L62 F74 S76 R77 K78 A84 | I18-V80 HydrophobicContact CD1-CB 4.32Å; I18-V80 HydrophobicContact CD1-CG1 3.55Å; L62-V80 HydrophobicContact CD2-CG2 3.74Å; F74-V80 HydrophobicContact CB-CG2 3.73Å; F74-V80 HydrophobicContact CD1-CB 4.42Å; F74-V80 HydrophobicContact CD1-CG2 3.77Å; F74-V80 HydrophobicContact CG-CG2 3.86Å; S76-V80 PolarHBondContact O-N 3.48Å; R77-V80 PolarHBondContact O-N 3.25Å; K78-V80 PolarHBondContact O-N 3.19Å; V80-A84 WeakPolarHBondContact O-CB 3.18Å; V80-A84 PolarHBondContact O-N 2.97Å |
| 81 | M | 79.4 | Confident | 83.6 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 28% | 0.281 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 178.9 | -71.4 | -174.9 | -62.6 | 0 | 0 | 112.4 | I18 Y22 L23 R77 K78 S79 A84 A85 | I18-M81 HydrophobicContact CD1-CG 4.44Å; I18-M81 HydrophobicContact CG2-CG 4.49Å; Y22-M81 HydrophobicContact CD2-SD 4.36Å; L23-M81 HydrophobicContact CD2-CB 4.5Å; L23-M81 VanDerWaalsContact CD2-O 3.32Å; L23-M81 WeakPolarHBondContact CD2-O 3.15Å; R77-M81 WeakPolarHBondContact O-CG 3.46Å; R77-M81 PolarHBondContact O-N 3.09Å; R77-M81 VanDerWaalsContact O-N 3.09Å; K78-M81 PolarHBondContact O-N 3.41Å; S79-M81 PolarHBondContact O-N 3.18Å; M81-A84 PolarHBondContact O-N 3.48Å; M81-A85 WeakPolarHBondContact O-CB 3.24Å; M81-A85 PolarHBondContact O-N 3.49Å |
| 82 | L | 82.7 | Confident | 83 | Confident | 108 Ų | 108 | 84.4 Ų | 84.4 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 178.3 | -71.2 | 172.8 | 0 | 0 | 0 | 111.6 | K78 S79 A84 A85 E86 | K78-L82 HydrophobicContact CG-CD1 4.13Å; K78-L82 HydrophobicContact CG-CG 4.43Å; K78-L82 WeakPolarHBondContact O-CG 3.3Å; K78-L82 PolarHBondContact O-N 2.94Å; S79-L82 PolarHBondContact O-N 2.99Å; L82-A84 PolarHBondContact O-N 3.41Å; L82-A85 WeakPolarHBondContact O-CB 3.07Å; L82-A85 PolarHBondContact O-N 2.82Å; L82-E86 PolarHBondContact O-N 3.01Å |
| 83 | Y | 86.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 37% | 0.365 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 177.2 | -179.6 | -101.8 | 0 | 0 | 0 | 112 | F74 S79 A85 E86 M87 | F74-Y83 AromaticContact CE1-CD1 3.83Å; F74-Y83 HydrophobicContact CE1-CD1 3.83Å; F74-Y83 HydrophobicContact CE1-CD2 4.29Å; F74-Y83 AromaticContact CE1-CG 3.63Å; F74-Y83 HydrophobicContact CE1-CG 3.63Å; F74-Y83 AromaticContact CZ-CD1 3.52Å; F74-Y83 HydrophobicContact CZ-CD1 3.52Å; F74-Y83 HydrophobicContact CZ-CD2 4.18Å; F74-Y83 AromaticContact CZ-CE1 3.88Å; F74-Y83 HydrophobicContact CZ-CE1 3.88Å; F74-Y83 HydrophobicContact CZ-CE2 4.49Å; F74-Y83 AromaticContact CZ-CG 3.68Å; F74-Y83 HydrophobicContact CZ-CG 3.68Å; S79-Y83 WeakPolarHBondContact O-CB 3.45Å; S79-Y83 PolarHBondContact O-N 2.88Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 2.68Å; Y83-E86 PolarHBondContact O-N 2.76Å; Y83-M87 HydrophobicContact CD1-CG 4.08Å; Y83-M87 HydrophobicContact CD2-CG 4.05Å; Y83-M87 HydrophobicContact CE1-CG 3.72Å; Y83-M87 HydrophobicContact CE2-CG 3.68Å; Y83-M87 HydrophobicContact CE2-SD 4.03Å; Y83-M87 HydrophobicContact CG-CG 4.24Å; Y83-M87 WeakPolarHBondContact O-CB 3.24Å; Y83-M87 VanDerWaalsContact O-CG 3.24Å; Y83-M87 WeakPolarHBondContact O-CG 3.38Å; Y83-M87 PolarHBondContact O-N 3.35Å |
| 84 | A | 82 | Confident | 80.9 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L23 V80 M81 L82 E86 M87 I88 | L23-A84 HydrophobicContact CD1-CB 3.96Å; L23-A84 HydrophobicContact CD2-CB 3.53Å; L23-A84 HydrophobicContact CG-CB 4.42Å; V80-A84 WeakPolarHBondContact O-CB 3.18Å; V80-A84 PolarHBondContact O-N 2.97Å; M81-A84 PolarHBondContact O-N 3.48Å; L82-A84 PolarHBondContact O-N 3.41Å; A84-E86 VanDerWaalsContact C-N 3.3Å; A84-E86 PolarHBondContact O-N 3.27Å; A84-M87 PolarHBondContact O-N 2.93Å; A84-I88 HydrophobicContact CB-CD1 4.46Å; A84-I88 WeakPolarHBondContact O-CB 3.08Å; A84-I88 VanDerWaalsContact O-CD1 3.27Å; A84-I88 WeakPolarHBondContact O-CD1 3.4Å; A84-I88 WeakPolarHBondContact O-CG1 3.41Å; A84-I88 PolarHBondContact O-N 3.11Å |
| 85 | A | 77.2 | Confident | 79.4 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | M81 L82 Y83 P89 | M81-A85 WeakPolarHBondContact O-CB 3.24Å; M81-A85 PolarHBondContact O-N 3.49Å; L82-A85 WeakPolarHBondContact O-CB 3.07Å; L82-A85 PolarHBondContact O-N 2.82Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 2.68Å; A85-P89 WeakPolarHBondContact O-CD 3.43Å; A85-P89 WeakPolarHBondContact O-CG 3.49Å |
| 86 | E | 82.8 | Confident | 77.9 | Confident | 108 Ų | 108 | 86.8 Ų | 86.8 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.4 | -38 | 176.8 | -163.7 | -162.6 | 146.4 | 0 | 0 | 112.9 | L82 Y83 A84 P89 K90 | L82-E86 PolarHBondContact O-N 3.01Å; Y83-E86 PolarHBondContact O-N 2.76Å; A84-E86 VanDerWaalsContact C-N 3.3Å; A84-E86 PolarHBondContact O-N 3.27Å; E86-P89 WeakPolarHBondContact O-CD 3.3Å; E86-K90 IonicContact OE1-NZ 3.06Å; E86-K90 PolarHBondContact OE1-NZ 2.98Å |
| 87 | M | 82.4 | Confident | 76.3 | Confident | 68 Ų | 68 | 90.3 Ų | 90.3 | 34% | 0.335 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -84.8 | -32.3 | -173.2 | -65.5 | -58.4 | -72.3 | 0 | 0 | 113.5 | Y83 A84 K90 L91 | Y83-M87 HydrophobicContact CD1-CG 4.08Å; Y83-M87 HydrophobicContact CD2-CG 4.05Å; Y83-M87 HydrophobicContact CE1-CG 3.72Å; Y83-M87 HydrophobicContact CE2-CG 3.68Å; Y83-M87 HydrophobicContact CE2-SD 4.03Å; Y83-M87 HydrophobicContact CG-CG 4.24Å; Y83-M87 WeakPolarHBondContact O-CB 3.24Å; Y83-M87 VanDerWaalsContact O-CG 3.24Å; Y83-M87 WeakPolarHBondContact O-CG 3.38Å; Y83-M87 PolarHBondContact O-N 3.35Å; A84-M87 PolarHBondContact O-N 2.93Å; M87-K90 WeakPolarHBondContact O-CB 3.42Å; M87-K90 PolarHBondContact O-N 2.97Å; M87-K90 HydrophobicContact SD-CD 4.16Å; M87-L91 PolarHBondContact O-N 2.71Å |
| 88 | I | 77.4 | Confident | 74.3 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -56.2 | -43.4 | 179.3 | -69.7 | 162.6 | 0 | 0 | 0 | 112.3 | L23 A84 K90 L91 R94 | L23-I88 HydrophobicContact CB-CD1 4.23Å; L23-I88 HydrophobicContact CD1-CD1 4.4Å; A84-I88 HydrophobicContact CB-CD1 4.46Å; A84-I88 WeakPolarHBondContact O-CB 3.08Å; A84-I88 VanDerWaalsContact O-CD1 3.27Å; A84-I88 WeakPolarHBondContact O-CD1 3.4Å; A84-I88 WeakPolarHBondContact O-CG1 3.41Å; A84-I88 PolarHBondContact O-N 3.11Å; I88-K90 PolarHBondContact O-N 2.68Å; I88-L91 HydrophobicContact CG2-CD1 4.47Å; I88-L91 WeakPolarHBondContact O-CB 3.34Å; I88-L91 PolarHBondContact O-N 2.77Å; I88-R94 WeakPolarHBondContact O-CD 3.01Å |
| 89 | P | 79.6 | Confident | 72.5 | Confident | 60 Ų | 60 | 86.3 Ų | 86.3 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -52.7 | -35.8 | 171.5 | -26.7 | 32.6 | 0 | 0 | 0 | 115.1 | A85 E86 L91 | A85-P89 WeakPolarHBondContact O-CD 3.43Å; A85-P89 WeakPolarHBondContact O-CG 3.49Å; E86-P89 WeakPolarHBondContact O-CD 3.3Å; P89-L91 VanDerWaalsContact C-N 3.32Å; P89-L91 PolarHBondContact O-N 3.24Å |
| 90 | K | 80.4 | Confident | 70 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -83.4 | -5.9 | -173.6 | -55.2 | 177.7 | -169.3 | 172.6 | 0 | 113.1 | E86 M87 I88 K92 | E86-K90 IonicContact OE1-NZ 3.06Å; E86-K90 PolarHBondContact OE1-NZ 2.98Å; M87-K90 WeakPolarHBondContact O-CB 3.42Å; M87-K90 PolarHBondContact O-N 2.97Å; M87-K90 HydrophobicContact SD-CD 4.16Å; I88-K90 PolarHBondContact O-N 2.68Å; K90-K92 PolarHBondContact O-N 3.2Å |
| 91 | L | 76.3 | Confident | 67.8 | Low | 79 Ų | 79 | 92.7 Ų | 92.7 | 41% | 0.414 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -65.3 | 132.2 | 178.4 | -67.2 | 174.5 | 0 | 0 | 0 | 110.9 | M87 I88 P89 T93 R94 T95 | M87-L91 PolarHBondContact O-N 2.71Å; I88-L91 HydrophobicContact CG2-CD1 4.47Å; I88-L91 WeakPolarHBondContact O-CB 3.34Å; I88-L91 PolarHBondContact O-N 2.77Å; P89-L91 VanDerWaalsContact C-N 3.32Å; P89-L91 PolarHBondContact O-N 3.24Å; L91-T93 PolarHBondContact O-N 3.48Å; L91-R94 WeakPolarHBondContact O-CA 3.41Å; L91-R94 WeakPolarHBondContact O-CB 3.48Å; L91-R94 PolarHBondContact O-N 3.45Å; L91-T95 PolarHBondContact O-N 3.07Å; L91-T95 PolarHBondContact O-OG1 2.96Å |
| 92 | K | 74.9 | Confident | 65.7 | Low | 182 Ų | 182 | 96.7 Ų | 96.7 | 79% | 0.791 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -50.8 | -36.3 | -180 | -65.2 | -175 | 178.2 | -176.8 | 0 | 113.8 | K90 R94 T95 | K90-K92 PolarHBondContact O-N 3.2Å; K92-R94 PolarHBondContact O-N 3.48Å; K92-T95 WeakPolarHBondContact CA-OG1 3.44Å; K92-T95 PolarHBondContact O-N 3.3Å |
| 93 | T | 70.2 | Confident | 63.8 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 56% | 0.558 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -19.1 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | L91 | L91-T93 PolarHBondContact O-N 3.48Å |
| 94 | R | 62.9 | Low | 61.1 | Low | 73 Ų | 73 | 100.3 Ų | 100.3 | 28% | 0.275 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -97.5 | -33.8 | 178.3 | -143.4 | -173.5 | -171.2 | -175.3 | -2 | 111.9 | I88 L91 K92 Q96 | I88-R94 WeakPolarHBondContact O-CD 3.01Å; L91-R94 WeakPolarHBondContact O-CA 3.41Å; L91-R94 WeakPolarHBondContact O-CB 3.48Å; L91-R94 PolarHBondContact O-N 3.45Å; K92-R94 PolarHBondContact O-N 3.48Å; R94-Q96 VanDerWaalsContact C-N 3.34Å; R94-Q96 PolarHBondContact O-N 2.97Å |
| 95 | T | 58.8 | Low | 58.8 | Low | 90 Ų | 90 | 106.5 Ų | 106.5 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.2 | -20.1 | -175.4 | -7.9 | 0 | 0 | 0 | 0 | 114.4 | L91 K92 | L91-T95 PolarHBondContact O-N 3.07Å; L91-T95 PolarHBondContact O-OG1 2.96Å; K92-T95 WeakPolarHBondContact CA-OG1 3.44Å; K92-T95 PolarHBondContact O-N 3.3Å |
| 96 | Q | 57.5 | Low | 56.8 | Low | 170 Ų | 170 | 112.3 Ų | 112.3 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 3.1 | -178.8 | -68.8 | -167.7 | -14.9 | 0 | 0 | 115.2 | R94 T98 | R94-Q96 VanDerWaalsContact C-N 3.34Å; R94-Q96 PolarHBondContact O-N 2.97Å; Q96-T98 PolarHBondContact O-N 3.25Å; Q96-T98 VanDerWaalsContact O-N 3.09Å |
| 97 | K | 54.5 | Low | 54.3 | Low | 123 Ų | 123 | 116.9 Ų | 116.9 | 54% | 0.535 | 65% | 0.646 | S | S | . | * | trans | -81.6 | 30.6 | 179.9 | -79.6 | -163 | 177.8 | -165.6 | 0 | 114.7 | E31 | E31-K97 IonicContact OE1-NZ 3.95Å; E31-K97 PolarHBondContact OE1-NZ 3.43Å | ||
| 98 | T | 41.1 | Very low | 52.1 | Low | 139 Ų | 139 | 116.6 Ų | 116.6 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -118.5 | 75 | 172.5 | -32.7 | 0 | 0 | 0 | 0 | 108.8 | Q96 | Q96-T98 PolarHBondContact O-N 3.25Å; Q96-T98 VanDerWaalsContact O-N 3.09Å |
| 99 | G | 43.6 | Very low | 49.9 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 147.7 | 83.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 100 | G | 34.4 | Very low | 47.6 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | trans | 159.8 | 82.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | D102 | G100-D102 PolarHBondContact O-N 3.39Š| ||
| 101 | A | 39.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 87% | 0.868 | 73% | 0.726 | S | S | * | * | trans | -59.5 | 118.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 102 | D | 35.5 | Very low | 43.2 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -103.3 | 89.5 | 164.6 | -158.7 | -91.9 | 0 | 0 | 0 | 107 | G100 S104 | G100-D102 PolarHBondContact O-N 3.39Å; D102-S104 PolarHBondContact O-N 3.04Å; D102-S104 WeakPolarHBondContact OD1-CB 3.16Å; D102-S104 PolarHBondContact OD1-N 3.18Å | ||
| 103 | Q | 41.1 | Very low | 41.1 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -75.1 | 100 | 148.2 | -74 | -173.2 | 11.4 | 0 | 0 | 106.1 | ||||
| 104 | S | 31.7 | Very low | 39.5 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -128.5 | 85.2 | 155.9 | -169.6 | 0 | 0 | 0 | 0 | 108 | D102 Q106 | D102-S104 PolarHBondContact O-N 3.04Å; D102-S104 WeakPolarHBondContact OD1-CB 3.16Å; D102-S104 PolarHBondContact OD1-N 3.18Å; S104-Q106 PolarHBondContact O-N 3.38Å | ||
| 105 | L | 33.7 | Very low | 38 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -60.9 | 113.6 | 161.1 | -82.4 | 156.9 | 0 | 0 | 0 | 108.1 | ||||
| 106 | Q | 34.1 | Very low | 36.9 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 34 | 98.1 | 135 | -155.2 | 163.1 | 25.5 | 0 | 0 | 116 | S104 G108 | S104-Q106 PolarHBondContact O-N 3.38Å; Q106-G108 PolarHBondContact O-N 3.41Å | ||
| 107 | Q | 31.4 | Very low | 35.9 | Very low | 204 Ų | 204 | 140.7 Ų | 140.7 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -63.3 | 94.9 | 162.4 | -163.9 | 172.8 | 13.5 | 0 | 0 | 108.8 | ||||
| 108 | G | 34.4 | Very low | 35.2 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 84% | 0.837 | S | S | * | * | trans | -83.6 | 124.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q106 G110 | Q106-G108 PolarHBondContact O-N 3.41Å; G108-G110 PolarHBondContact O-N 3.28Å | ||
| 109 | E | 32.8 | Very low | 35.1 | Very low | 211 Ų | 211 | 147.9 Ų | 147.9 | 99% | 0.986 | 84% | 0.839 | S | S | * | * | trans | -54.6 | 115.2 | 165.1 | -84.5 | 175.5 | 81.3 | 0 | 0 | 110 | ||||
| 110 | G | 31 | Very low | 35 | Very low | 65 Ų | 65 | 157.3 Ų | 157.3 | 67% | 0.67 | 86% | 0.857 | S | S | * | * | trans | -148.2 | 88.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G108 K112 | G108-G110 PolarHBondContact O-N 3.28Å; G110-K112 PolarHBondContact O-N 3.09Å | ||
| 111 | S | 32.8 | Very low | 35 | Very low | 130 Ų | 130 | 161.5 Ų | 161.5 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | trans | -48.6 | 105.9 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | K113 | S111-K113 PolarHBondContact O-N 3.32Š| ||
| 112 | K | 31.6 | Very low | 34.7 | Very low | 214 Ų | 214 | 164.5 Ų | 164.5 | 93% | 0.93 | 86% | 0.862 | S | S | * | * | trans | -79.9 | 98.8 | 163.1 | -82.6 | -177.2 | 178.6 | 173 | 0 | 109.3 | G110 | G110-K112 PolarHBondContact O-N 3.09Š| ||
| 113 | K | 31.2 | Very low | 34.7 | Very low | 212 Ų | 212 | 165.7 Ų | 165.7 | 92% | 0.922 | 87% | 0.867 | S | S | * | * | trans | -105.1 | 104.9 | 158.6 | -166.5 | 174.6 | -175.8 | 177.2 | 0 | 108.1 | S111 | S111-K113 PolarHBondContact O-N 3.32Š| ||
| 114 | G | 35.4 | Very low | 34.3 | Very low | 71 Ų | 71 | 164.6 Ų | 164.6 | 73% | 0.732 | 87% | 0.868 | S | S | * | * | trans | -103.8 | 151.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 115 | K | 31.8 | Very low | 34.5 | Very low | 222 Ų | 222 | 169.1 Ų | 169.1 | 97% | 0.965 | 88% | 0.882 | S | S | * | * | trans | 88.8 | 118 | 159 | -88.9 | -178.6 | 171.7 | 178.3 | 0 | 120.2 | ||||
| 116 | G | 34.8 | Very low | 34.6 | Very low | 81 Ų | 81 | 170.3 Ų | 170.3 | 84% | 0.835 | 89% | 0.887 | S | S | * | * | trans | 162.2 | 51.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 117 | K | 38.3 | Very low | 34.6 | Very low | 218 Ų | 218 | 170 Ų | 170 | 95% | 0.948 | 89% | 0.893 | S | S | * | * | trans | -90.8 | 108.7 | 166.1 | -95.9 | -173.8 | 176.5 | 178.9 | 0 | 109.6 | ||||
| 118 | K | 38 | Very low | 34.8 | Very low | 210 Ų | 210 | 167.4 Ų | 167.4 | 91% | 0.913 | 89% | 0.888 | S | S | * | * | trans | -84.3 | 117.8 | 168.5 | -165.4 | 175.2 | -176.4 | 177.6 | 0 | 107.7 | ||||
| 119 | K | 40.3 | Very low | 34.9 | Very low | 203 Ų | 203 | 176.1 Ų | 176.1 | 88% | 0.883 | 91% | 0.908 | S | S | * | * | trans | -91.2 | 144.2 | 167.9 | -96.7 | -173.5 | 174.4 | -176.2 | 0 | 109.2 | ||||
| 120 | K | 40.5 | Very low | 35.1 | Very low | 276 Ų | 276 | 172.9 Ų | 172.9 | 100% | 1.2 | 90% | 0.901 | S | S | * | * | trans | -67.4 | 0 | 167.2 | -173.3 | -179.6 | -179 | -177 | 0 | 110.2 |
Retrieved 120 of 120 residues in 627.7 ms
(Link to these results)