| 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 | 51.8 | Low | 59.4 | Low | 232 Ų | 232 | 125.7 Ų | 125.7 | 100% | 1.143 | 70% | 0.702 | S | S | * | * | 0 | 108 | 0 | -142.2 | 168.7 | -169.4 | 0 | 0 | 106.2 | H3 | M1-H3 PolarHBondContact O-N 2.98Š| |||
| 2 | V | 40.2 | Very low | 59.7 | Low | 146 Ų | 146 | 116.4 Ų | 116.4 | 89% | 0.885 | 65% | 0.653 | S | S | * | * | trans | -66.9 | 104.1 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | S4 | V2-S4 PolarHBondContact O-N 3.05Å; V2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | H | 58.5 | Low | 60 | Low | 178 Ų | 178 | 111.5 Ų | 111.5 | 82% | 0.824 | 64% | 0.636 | S | S | * | * | trans | -74.3 | 91.1 | 174.6 | -110.2 | 116.2 | 0 | 0 | 0 | 107.4 | M1 Q5 | M1-H3 PolarHBondContact O-N 2.98Å; H3-Q5 PolarHBondContact O-N 3.09Å | ||
| 4 | S | 66.2 | Low | 60.5 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | trans | -69.7 | 101.1 | 166.2 | 50.5 | 0 | 0 | 0 | 0 | 107.4 | V2 | V2-S4 PolarHBondContact O-N 3.05Å; V2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 5 | Q | 62.7 | Low | 61.4 | Low | 168 Ų | 168 | 107.6 Ų | 107.6 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | trans | -49.4 | 130.1 | 171.2 | -89.8 | 178 | -16.8 | 0 | 0 | 108.6 | H3 T7 | H3-Q5 PolarHBondContact O-N 3.09Å; Q5-T7 PolarHBondContact O-N 2.96Å | ||
| 6 | P | 59.2 | Low | 62.3 | Low | 85 Ų | 85 | 106.2 Ų | 106.2 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | trans | -62 | 110.7 | 171.8 | 27 | -32.7 | 0 | 0 | 0 | 107.4 | M10 V11 | P6-M10 HydrophobicContact CB-CB 4.47Å; P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 4.2Å | ||
| 7 | T | 68.3 | Low | 63 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | trans | -61.8 | 152.1 | 177.7 | -28.4 | 0 | 0 | 0 | 0 | 108.8 | Q5 G9 M10 V11 | Q5-T7 PolarHBondContact O-N 2.96Å; T7-G9 PolarHBondContact O-N 3.03Å; T7-M10 WeakPolarHBondContact O-CA 3.4Å; T7-M10 WeakPolarHBondContact O-CB 3.41Å; T7-M10 PolarHBondContact O-N 3.43Å; T7-V11 PolarHBondContact O-N 3.35Å; T7-V11 VanDerWaalsContact O-N 3.08Å | ||
| 8 | L | 57.6 | Low | 63.9 | Low | 149 Ų | 149 | 103.7 Ų | 103.7 | 78% | 0.78 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -47.9 | -33.3 | 178.3 | -73.4 | 166.8 | 0 | 0 | 0 | 113.2 | A12 | L8-A12 VanDerWaalsContact O-CB 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 2.98Å |
| 9 | G | 62.4 | Low | 64.7 | Low | 50 Ų | 50 | 99.9 Ų | 99.9 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -35.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T7 A13 | T7-G9 PolarHBondContact O-N 3.03Å; G9-A13 VanDerWaalsContact O-CB 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.42Å; G9-A13 PolarHBondContact O-N 3.32Å |
| 10 | M | 63.2 | Low | 65.3 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 59% | 0.591 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.2 | -38.3 | 174.3 | -66 | 179.6 | 63 | 0 | 0 | 111.3 | P6 T7 A13 S14 | P6-M10 HydrophobicContact CB-CB 4.47Å; T7-M10 WeakPolarHBondContact O-CA 3.4Å; T7-M10 WeakPolarHBondContact O-CB 3.41Å; T7-M10 PolarHBondContact O-N 3.43Å; M10-A13 PolarHBondContact O-N 3.48Å; M10-S14 PolarHBondContact O-N 3.49Å |
| 11 | V | 63.1 | Low | 65.8 | Low | 58 Ų | 58 | 110 Ų | 110 | 35% | 0.352 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.6 | -46.4 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | P6 T7 A13 S14 I15 | P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 4.2Å; T7-V11 PolarHBondContact O-N 3.35Å; T7-V11 VanDerWaalsContact O-N 3.08Å; V11-A13 VanDerWaalsContact C-N 3.28Å; V11-A13 PolarHBondContact O-N 3.2Å; V11-S14 PolarHBondContact O-N 3.36Å; V11-S14 PolarHBondContact O-OG 3.1Å; V11-I15 HydrophobicContact CG1-CD1 4.13Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-I15 PolarHBondContact O-N 3.22Å |
| 12 | A | 63.3 | Low | 67.2 | Low | 14 Ų | 14 | 100.8 Ų | 100.8 | 12% | 0.116 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -65.3 | -29.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L8 S14 L28 S29 M32 | L8-A12 VanDerWaalsContact O-CB 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 2.98Å; A12-S14 VanDerWaalsContact C-N 3.3Å; A12-L28 WeakPolarHBondContact O-CB 3.17Å; A12-S29 PolarHBondContact O-N 3.34Å; A12-S29 VanDerWaalsContact O-N 3.08Å; A12-M32 HydrophobicContact CB-SD 3.87Å |
| 13 | A | 63.3 | Low | 69.5 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.1 | -27.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | G9 M10 V11 | G9-A13 VanDerWaalsContact O-CB 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.42Å; G9-A13 PolarHBondContact O-N 3.32Å; M10-A13 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact C-N 3.28Å; V11-A13 PolarHBondContact O-N 3.2Å |
| 14 | S | 67.4 | Low | 70.7 | Confident | 89 Ų | 89 | 94 Ų | 94 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -83.5 | -19.6 | 178.3 | 66.9 | 0 | 0 | 0 | 0 | 114.8 | M10 V11 A12 | M10-S14 PolarHBondContact O-N 3.49Å; V11-S14 PolarHBondContact O-N 3.36Å; V11-S14 PolarHBondContact O-OG 3.1Å; A12-S14 VanDerWaalsContact C-N 3.3Å |
| 15 | I | 73.6 | Confident | 71.4 | Confident | 76 Ų | 76 | 96.9 Ų | 96.9 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | trans | -84.4 | 126.7 | 177.3 | -61.2 | 162.5 | 0 | 0 | 0 | 107.9 | V11 L28 | V11-I15 HydrophobicContact CG1-CD1 4.13Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-I15 PolarHBondContact O-N 3.22Å; I15-L28 HydrophobicContact CB-CB 3.91Å; I15-L28 HydrophobicContact CB-CD2 3.86Å; I15-L28 HydrophobicContact CD1-CD2 3.85Å; I15-L28 HydrophobicContact CG1-CD2 4.47Å; I15-L28 HydrophobicContact CG2-CB 4Å; I15-L28 HydrophobicContact CG2-CD2 3.83Å; I15-L28 HydrophobicContact CG2-CG 4.43Å; I15-L28 VanDerWaalsContact O-CB 3.23Å; I15-L28 WeakPolarHBondContact O-CB 3.47Å; I15-L28 PolarHBondContact O-N 3.27Å | ||
| 16 | T | 76.6 | Confident | 72.1 | Confident | 85 Ų | 85 | 90.6 Ų | 90.6 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.3 | 170.4 | 53 | 0 | 0 | 0 | 0 | 109.9 | K26 | T16-K26 CarbonylContact C-O 3.56Å; T16-K26 WeakPolarHBondContact CA-O 3.21Å |
| 17 | E | 72.9 | Confident | 72.8 | Confident | 97 Ų | 97 | 89.3 Ų | 89.3 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.3 | 176.3 | -176.9 | 170.6 | -163.2 | 0 | 0 | 109.1 | D19 Y25 K26 L28 M31 | E17-D19 PolarHBondContact O-N 2.76Å; E17-Y25 CarbonylContact O-C 3.58Å; E17-Y25 WeakPolarHBondContact O-CA 3.44Å; E17-K26 PolarHBondContact N-O 3.3Å; E17-K26 PolarHBondContact O-N 3.08Å; E17-L28 WeakPolarHBondContact OE2-CD1 3.49Å; E17-M31 HydrophobicContact CB-CE 3.69Å; E17-M31 HydrophobicContact CB-SD 3.8Å; E17-M31 HydrophobicContact CG-CE 4Å; E17-M31 HydrophobicContact CG-SD 3.9Å; E17-M31 WeakPolarHBondContact O-CE 3.45Å |
| 18 | F | 79.1 | Confident | 72.8 | Confident | 71 Ų | 71 | 85.9 Ų | 85.9 | 31% | 0.311 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.6 | 178.8 | -173.3 | -100.8 | 0 | 0 | 0 | 109.9 | Y20 Y25 | F18-Y20 AromaticContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD2 4.23Å; F18-Y20 HydrophobicContact CD1-CE1 4.04Å; F18-Y20 HydrophobicContact CD1-CE2 4.32Å; F18-Y20 HydrophobicContact CD1-CG 4.05Å; F18-Y20 AromaticContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CE1 4.29Å; F18-Y20 HydrophobicContact CE1-CG 4.33Å; F18-Y20 PolarHBondContact O-N 2.94Å; F18-Y20 VanDerWaalsContact O-N 3.16Å; F18-Y25 HydrophobicContact CB-CD1 4.03Å; F18-Y25 HydrophobicContact CB-CE1 3.84Å; F18-Y25 HydrophobicContact CD2-CD1 4.26Å; F18-Y25 AromaticContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CE1 4.07Å; F18-Y25 AromaticContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CG 4.2Å; F18-Y25 AromaticContact CD2-CZ 3.79Å; F18-Y25 HydrophobicContact CE2-CE2 4.28Å; F18-Y25 HydrophobicContact CG-CE1 4.43Å |
| 19 | D | 79.3 | Confident | 73.3 | Confident | 32 Ų | 32 | 80.7 Ų | 80.7 | 17% | 0.171 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 99.2 | 174 | -170.4 | -33.2 | 0 | 0 | 0 | 109 | E17 K21 A22 G23 Y24 K26 M31 | E17-D19 PolarHBondContact O-N 2.76Å; D19-K21 PolarHBondContact O-N 3.45Å; D19-K21 WeakPolarHBondContact OD1-CA 3.43Å; D19-K21 VanDerWaalsContact OD1-CB 3.26Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3Å; D19-A22 HydrophobicContact CB-CB 3.8Å; D19-A22 VanDerWaalsContact CG-CB 3.43Å; D19-A22 PolarHBondContact O-N 2.92Å; D19-A22 VanDerWaalsContact O-N 3.12Å; D19-A22 PolarHBondContact OD1-N 3.33Å; D19-G23 PolarHBondContact O-N 2.98Å; D19-Y24 WeakPolarHBondContact CB-O 3.38Å; D19-Y24 PolarHBondContact N-O 3.48Å; D19-K26 HydrophobicContact CB-CD 3.94Å; D19-K26 HydrophobicContact CB-CG 4.26Å; D19-K26 WeakPolarHBondContact OD2-CD 3.27Å; D19-K26 WeakPolarHBondContact OD2-CE 3.5Å; D19-K26 IonicContact OD2-NZ 2.67Å; D19-K26 PolarHBondContact OD2-NZ 3.45Å; D19-M31 HydrophobicContact CB-CE 3.77Å |
| 20 | Y | 76.6 | Confident | 73.4 | Confident | 206 Ų | 206 | 80 Ų | 80 | 81% | 0.808 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.2 | 177.2 | -73 | -85.4 | 0 | 0 | 0 | 113.7 | F18 | F18-Y20 AromaticContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD1 3.95Å; F18-Y20 HydrophobicContact CD1-CD2 4.23Å; F18-Y20 HydrophobicContact CD1-CE1 4.04Å; F18-Y20 HydrophobicContact CD1-CE2 4.32Å; F18-Y20 HydrophobicContact CD1-CG 4.05Å; F18-Y20 AromaticContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CD1 3.98Å; F18-Y20 HydrophobicContact CE1-CE1 4.29Å; F18-Y20 HydrophobicContact CE1-CG 4.33Å; F18-Y20 PolarHBondContact O-N 2.94Å; F18-Y20 VanDerWaalsContact O-N 3.16Å |
| 21 | K | 77.3 | Confident | 73.4 | Confident | 205 Ų | 205 | 76 Ų | 76 | 89% | 0.891 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -36.3 | 178.3 | -173.6 | -179.5 | -179.2 | -178.9 | 0 | 111.2 | D19 | D19-K21 PolarHBondContact O-N 3.45Å; D19-K21 WeakPolarHBondContact OD1-CA 3.43Å; D19-K21 VanDerWaalsContact OD1-CB 3.26Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3Å |
| 22 | A | 81.4 | Confident | 73.4 | Confident | 39 Ų | 39 | 78 Ų | 78 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -17.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D19 Y24 | D19-A22 HydrophobicContact CB-CB 3.8Å; D19-A22 VanDerWaalsContact CG-CB 3.43Å; D19-A22 PolarHBondContact O-N 2.92Å; D19-A22 VanDerWaalsContact O-N 3.12Å; D19-A22 PolarHBondContact OD1-N 3.33Å; A22-Y24 VanDerWaalsContact C-N 3.33Å; A22-Y24 HydrophobicContact CB-CD1 3.58Å; A22-Y24 HydrophobicContact CB-CE1 3.23Å; A22-Y24 HydrophobicContact CB-CG 4.44Å; A22-Y24 WeakPolarHBondContact O-CD1 3.46Å |
| 23 | G | 86.8 | Confident | 73.3 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 54% | 0.536 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 17.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D19 | D19-G23 PolarHBondContact O-N 2.98Š|
| 24 | Y | 84.5 | Confident | 73.1 | Confident | 129 Ų | 129 | 87.2 Ų | 87.2 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 160.9 | -179.5 | 64.4 | -92.7 | 0 | 0 | 0 | 113 | D19 A22 K26 | D19-Y24 WeakPolarHBondContact CB-O 3.38Å; D19-Y24 PolarHBondContact N-O 3.48Å; A22-Y24 VanDerWaalsContact C-N 3.33Å; A22-Y24 HydrophobicContact CB-CD1 3.58Å; A22-Y24 HydrophobicContact CB-CE1 3.23Å; A22-Y24 HydrophobicContact CB-CG 4.44Å; A22-Y24 WeakPolarHBondContact O-CD1 3.46Å; Y24-K26 HydrophobicContact CD2-CG 3.76Å; Y24-K26 HydrophobicContact CE2-CD 3.94Å; Y24-K26 HydrophobicContact CE2-CG 3.37Å; Y24-K26 WeakPolarHBondContact OH-CE 3.48Å; Y24-K26 PolarHBondContact OH-NZ 3.45Å |
| 25 | Y | 80.4 | Confident | 72.6 | Confident | 160 Ų | 160 | 85.8 Ų | 85.8 | 63% | 0.627 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.5 | 176.1 | -67.7 | -90.3 | 0 | 0 | 0 | 111 | E17 F18 | E17-Y25 CarbonylContact O-C 3.58Å; E17-Y25 WeakPolarHBondContact O-CA 3.44Å; F18-Y25 HydrophobicContact CB-CD1 4.03Å; F18-Y25 HydrophobicContact CB-CE1 3.84Å; F18-Y25 HydrophobicContact CD2-CD1 4.26Å; F18-Y25 AromaticContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CD2 3.93Å; F18-Y25 HydrophobicContact CD2-CE1 4.07Å; F18-Y25 AromaticContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CE2 3.72Å; F18-Y25 HydrophobicContact CD2-CG 4.2Å; F18-Y25 AromaticContact CD2-CZ 3.79Å; F18-Y25 HydrophobicContact CE2-CE2 4.28Å; F18-Y25 HydrophobicContact CG-CE1 4.43Å |
| 26 | K | 77.1 | Confident | 71.9 | Confident | 36 Ų | 36 | 88.7 Ų | 88.7 | 16% | 0.157 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.4 | 172.6 | -64.5 | 176.5 | 178 | 174.6 | 0 | 110.3 | T16 E17 D19 Y24 L28 M31 | T16-K26 CarbonylContact C-O 3.56Å; T16-K26 WeakPolarHBondContact CA-O 3.21Å; E17-K26 PolarHBondContact N-O 3.3Å; E17-K26 PolarHBondContact O-N 3.08Å; D19-K26 HydrophobicContact CB-CD 3.94Å; D19-K26 HydrophobicContact CB-CG 4.26Å; D19-K26 WeakPolarHBondContact OD2-CD 3.27Å; D19-K26 WeakPolarHBondContact OD2-CE 3.5Å; D19-K26 IonicContact OD2-NZ 2.67Å; D19-K26 PolarHBondContact OD2-NZ 3.45Å; Y24-K26 HydrophobicContact CD2-CG 3.76Å; Y24-K26 HydrophobicContact CE2-CD 3.94Å; Y24-K26 HydrophobicContact CE2-CG 3.37Å; Y24-K26 WeakPolarHBondContact OH-CE 3.48Å; Y24-K26 PolarHBondContact OH-NZ 3.45Å; K26-L28 PolarHBondContact O-N 3.21Å; K26-M31 HydrophobicContact CB-CE 3.68Å; K26-M31 HydrophobicContact CB-CG 4.28Å; K26-M31 HydrophobicContact CD-CE 4.39Å; K26-M31 HydrophobicContact CG-CE 4.34Å |
| 27 | P | 74.8 | Confident | 71 | Confident | 57 Ų | 57 | 88.9 Ų | 88.9 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 134.6 | 167.7 | -22.1 | 33 | 0 | 0 | 0 | 110.4 | S29 S30 M31 | P27-S29 PolarHBondContact O-N 3.05Å; P27-S30 WeakPolarHBondContact O-CA 3.49Å; P27-S30 VanDerWaalsContact O-CB 3.3Å; P27-S30 WeakPolarHBondContact O-CB 3.2Å; P27-S30 PolarHBondContact O-N 2.95Å; P27-M31 PolarHBondContact O-N 2.89Å |
| 28 | L | 68.8 | Low | 70.3 | Confident | 27 Ų | 27 | 90.8 Ų | 90.8 | 14% | 0.141 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.2 | -31.4 | 177.4 | -178.4 | 73 | 0 | 0 | 0 | 110.3 | A12 I15 E17 K26 S30 M31 M32 | A12-L28 WeakPolarHBondContact O-CB 3.17Å; I15-L28 HydrophobicContact CB-CB 3.91Å; I15-L28 HydrophobicContact CB-CD2 3.86Å; I15-L28 HydrophobicContact CD1-CD2 3.85Å; I15-L28 HydrophobicContact CG1-CD2 4.47Å; I15-L28 HydrophobicContact CG2-CB 4Å; I15-L28 HydrophobicContact CG2-CD2 3.83Å; I15-L28 HydrophobicContact CG2-CG 4.43Å; I15-L28 VanDerWaalsContact O-CB 3.23Å; I15-L28 WeakPolarHBondContact O-CB 3.47Å; I15-L28 PolarHBondContact O-N 3.27Å; E17-L28 WeakPolarHBondContact OE2-CD1 3.49Å; K26-L28 PolarHBondContact O-N 3.21Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-S30 PolarHBondContact O-N 3.31Å; L28-M31 CarbonylContact O-C 3.59Å; L28-M31 PolarHBondContact O-N 2.92Å; L28-M32 HydrophobicContact CD1-CE 4.29Å; L28-M32 HydrophobicContact CD1-CG 4.33Å; L28-M32 HydrophobicContact CD2-CE 3.57Å; L28-M32 HydrophobicContact CD2-SD 4.07Å; L28-M32 HydrophobicContact CG-CE 3.84Å; L28-M32 HydrophobicContact CG-CG 4.01Å; L28-M32 HydrophobicContact CG-SD 3.9Å; L28-M32 WeakPolarHBondContact O-CB 3.43Å; L28-M32 VanDerWaalsContact O-CG 3.24Å; L28-M32 WeakPolarHBondContact O-CG 3.23Å; L28-M32 PolarHBondContact O-N 3.12Å |
| 29 | S | 66.9 | Low | 69.1 | Low | 39 Ų | 39 | 89 Ų | 89 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.1 | -40.1 | 170.7 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | A12 P27 Q33 | A12-S29 PolarHBondContact O-N 3.34Å; A12-S29 VanDerWaalsContact O-N 3.08Å; P27-S29 PolarHBondContact O-N 3.05Å; S29-Q33 WeakPolarHBondContact O-CB 3.37Å; S29-Q33 VanDerWaalsContact O-CG 3.24Å; S29-Q33 WeakPolarHBondContact O-CG 3.24Å; S29-Q33 PolarHBondContact O-N 2.66Å |
| 30 | S | 66.1 | Low | 67.8 | Low | 36 Ų | 36 | 95 Ų | 95 | 25% | 0.252 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | P27 L28 M32 Q33 H34 | P27-S30 WeakPolarHBondContact O-CA 3.49Å; P27-S30 VanDerWaalsContact O-CB 3.3Å; P27-S30 WeakPolarHBondContact O-CB 3.2Å; P27-S30 PolarHBondContact O-N 2.95Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-S30 PolarHBondContact O-N 3.31Å; S30-M32 PolarHBondContact O-N 3.2Å; S30-Q33 PolarHBondContact O-N 3.03Å; S30-H34 PolarHBondContact O-CD2 3Å; S30-H34 PolarHBondContact O-N 3.35Å |
| 31 | M | 62.8 | Low | 66.8 | Low | 37 Ų | 37 | 92.7 Ų | 92.7 | 18% | 0.182 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 177.1 | -61.4 | -157.6 | -167.8 | 0 | 0 | 112.8 | E17 D19 K26 P27 L28 H34 A35 | E17-M31 HydrophobicContact CB-CE 3.69Å; E17-M31 HydrophobicContact CB-SD 3.8Å; E17-M31 HydrophobicContact CG-CE 4Å; E17-M31 HydrophobicContact CG-SD 3.9Å; E17-M31 WeakPolarHBondContact O-CE 3.45Å; D19-M31 HydrophobicContact CB-CE 3.77Å; K26-M31 HydrophobicContact CB-CE 3.68Å; K26-M31 HydrophobicContact CB-CG 4.28Å; K26-M31 HydrophobicContact CD-CE 4.39Å; K26-M31 HydrophobicContact CG-CE 4.34Å; P27-M31 PolarHBondContact O-N 2.89Å; L28-M31 CarbonylContact O-C 3.59Å; L28-M31 PolarHBondContact O-N 2.92Å; M31-H34 CarbonylContact O-C 3.54Å; M31-H34 WeakPolarHBondContact O-CB 3.24Å; M31-H34 PolarHBondContact O-N 3.48Å; M31-A35 WeakPolarHBondContact O-CB 3.45Å; M31-A35 PolarHBondContact O-N 3.22Å |
| 32 | M | 61.7 | Low | 65.8 | Low | 98 Ų | 98 | 89.7 Ų | 89.7 | 48% | 0.483 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 176.2 | -79.1 | -179.1 | 163.4 | 0 | 0 | 111.8 | A12 L28 S30 H34 A35 F36 | A12-M32 HydrophobicContact CB-SD 3.87Å; L28-M32 HydrophobicContact CD1-CE 4.29Å; L28-M32 HydrophobicContact CD1-CG 4.33Å; L28-M32 HydrophobicContact CD2-CE 3.57Å; L28-M32 HydrophobicContact CD2-SD 4.07Å; L28-M32 HydrophobicContact CG-CE 3.84Å; L28-M32 HydrophobicContact CG-CG 4.01Å; L28-M32 HydrophobicContact CG-SD 3.9Å; L28-M32 WeakPolarHBondContact O-CB 3.43Å; L28-M32 VanDerWaalsContact O-CG 3.24Å; L28-M32 WeakPolarHBondContact O-CG 3.23Å; L28-M32 PolarHBondContact O-N 3.12Å; S30-M32 PolarHBondContact O-N 3.2Å; M32-H34 VanDerWaalsContact C-N 3.33Å; M32-A35 PolarHBondContact O-N 3Å; M32-F36 VanDerWaalsContact O-CB 3.23Å; M32-F36 WeakPolarHBondContact O-CB 3.35Å; M32-F36 PolarHBondContact O-N 3.41Å |
| 33 | Q | 62.3 | Low | 64.5 | Low | 132 Ų | 132 | 91 Ų | 91 | 62% | 0.617 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 170.4 | -77.9 | 173.7 | -18.8 | 0 | 0 | 110.8 | S29 S30 F36 V37 | S29-Q33 WeakPolarHBondContact O-CB 3.37Å; S29-Q33 VanDerWaalsContact O-CG 3.24Å; S29-Q33 WeakPolarHBondContact O-CG 3.24Å; S29-Q33 PolarHBondContact O-N 2.66Å; S30-Q33 PolarHBondContact O-N 3.03Å; Q33-F36 PolarHBondContact O-N 3.47Å; Q33-V37 WeakPolarHBondContact O-CB 3.38Å; Q33-V37 VanDerWaalsContact O-CG2 3.24Å; Q33-V37 WeakPolarHBondContact O-CG2 3.5Å; Q33-V37 PolarHBondContact O-N 3.22Å |
| 34 | H | 59.1 | Low | 63.1 | Low | 129 Ų | 129 | 93.7 Ų | 93.7 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 175.3 | -76.9 | -72.1 | 0 | 0 | 0 | 112.5 | S30 M31 M32 Y38 | S30-H34 PolarHBondContact O-CD2 3Å; S30-H34 PolarHBondContact O-N 3.35Å; M31-H34 CarbonylContact O-C 3.54Å; M31-H34 WeakPolarHBondContact O-CB 3.24Å; M31-H34 PolarHBondContact O-N 3.48Å; M32-H34 VanDerWaalsContact C-N 3.33Å; H34-Y38 VanDerWaalsContact O-CB 3.26Å; H34-Y38 WeakPolarHBondContact O-CB 3.42Å; H34-Y38 PolarHBondContact O-N 3.32Å |
| 35 | A | 57.4 | Low | 61.8 | Low | 58 Ų | 58 | 93.1 Ų | 93.1 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M31 M32 Y38 Q39 | M31-A35 WeakPolarHBondContact O-CB 3.45Å; M31-A35 PolarHBondContact O-N 3.22Å; M32-A35 PolarHBondContact O-N 3Å; A35-Y38 PolarHBondContact O-N 3.28Å; A35-Q39 VanDerWaalsContact O-CB 3.3Å; A35-Q39 WeakPolarHBondContact O-CB 3.47Å; A35-Q39 PolarHBondContact O-N 3.33Å |
| 36 | F | 59 | Low | 60.8 | Low | 138 Ų | 138 | 89.9 Ų | 89.9 | 61% | 0.605 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 176.7 | -174.3 | -97.4 | 0 | 0 | 0 | 111.8 | M32 Q33 Y38 Q39 H40 | M32-F36 VanDerWaalsContact O-CB 3.23Å; M32-F36 WeakPolarHBondContact O-CB 3.35Å; M32-F36 PolarHBondContact O-N 3.41Å; Q33-F36 PolarHBondContact O-N 3.47Å; F36-Y38 VanDerWaalsContact C-N 3.35Å; F36-Q39 WeakPolarHBondContact O-CB 3.3Å; F36-Q39 PolarHBondContact O-N 3Å; F36-H40 PolarHBondContact O-N 3.03Å |
| 37 | V | 57.9 | Low | 60.2 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | Q33 Q39 H40 H41 | Q33-V37 WeakPolarHBondContact O-CB 3.38Å; Q33-V37 VanDerWaalsContact O-CG2 3.24Å; Q33-V37 WeakPolarHBondContact O-CG2 3.5Å; Q33-V37 PolarHBondContact O-N 3.22Å; V37-Q39 VanDerWaalsContact C-N 3.33Å; V37-H40 PolarHBondContact O-N 3.45Å; V37-H41 PolarHBondContact O-N 3.35Å; V37-H41 VanDerWaalsContact O-N 3.14Å |
| 38 | Y | 56.5 | Low | 59.8 | Low | 137 Ų | 137 | 94.3 Ų | 94.3 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 174.7 | -165.9 | -97.6 | 0 | 0 | 0 | 112.1 | H34 A35 F36 H41 K42 | H34-Y38 VanDerWaalsContact O-CB 3.26Å; H34-Y38 WeakPolarHBondContact O-CB 3.42Å; H34-Y38 PolarHBondContact O-N 3.32Å; A35-Y38 PolarHBondContact O-N 3.28Å; F36-Y38 VanDerWaalsContact C-N 3.35Å; Y38-H41 PolarHBondContact O-N 3.46Å; Y38-K42 HydrophobicContact CD1-CD 4.43Å; Y38-K42 HydrophobicContact CE1-CD 3.65Å; Y38-K42 HydrophobicContact CE1-CG 4.27Å; Y38-K42 HydrophobicContact CE2-CD 4.35Å; Y38-K42 VanDerWaalsContact CZ-CE 3.46Å; Y38-K42 PolarHBondContact O-N 2.9Å; Y38-K42 VanDerWaalsContact OH-CE 3.23Å; Y38-K42 WeakPolarHBondContact OH-CE 3.23Å; Y38-K42 PolarHBondContact OH-NZ 2.96Å |
| 39 | Q | 53.9 | Low | 59.6 | Low | 34 Ų | 34 | 98.8 Ų | 98.8 | 16% | 0.159 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 176.3 | -148.3 | 174.9 | 19.9 | 0 | 0 | 111.9 | A35 F36 V37 H41 K42 G43 M44 | A35-Q39 VanDerWaalsContact O-CB 3.3Å; A35-Q39 WeakPolarHBondContact O-CB 3.47Å; A35-Q39 PolarHBondContact O-N 3.33Å; F36-Q39 WeakPolarHBondContact O-CB 3.3Å; F36-Q39 PolarHBondContact O-N 3Å; V37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-H41 VanDerWaalsContact C-N 3.28Å; Q39-H41 PolarHBondContact O-N 3.08Å; Q39-K42 PolarHBondContact O-N 3.28Å; Q39-G43 PolarHBondContact O-N 2.71Å; Q39-M44 HydrophobicContact CG-CB 3.41Å; Q39-M44 VanDerWaalsContact CG-CB 3.41Å; Q39-M44 HydrophobicContact CG-CE 3.94Å |
| 40 | H | 52.2 | Low | 59.8 | Low | 159 Ų | 159 | 100.3 Ų | 100.3 | 74% | 0.736 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -32.7 | 172.4 | -167.3 | -95.2 | 0 | 0 | 0 | 112.1 | F36 V37 | F36-H40 PolarHBondContact O-N 3.03Å; V37-H40 PolarHBondContact O-N 3.45Å |
| 41 | H | 55.9 | Low | 60.2 | Low | 157 Ų | 157 | 108.4 Ų | 108.4 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -84.5 | -20 | 179.5 | -105.8 | -81.7 | 0 | 0 | 0 | 115.1 | V37 Y38 Q39 | V37-H41 PolarHBondContact O-N 3.35Å; V37-H41 VanDerWaalsContact O-N 3.14Å; Y38-H41 PolarHBondContact O-N 3.46Å; Q39-H41 VanDerWaalsContact C-N 3.28Å; Q39-H41 PolarHBondContact O-N 3.08Å |
| 42 | K | 56.7 | Low | 60.6 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -118.9 | 10.7 | -175.8 | -68.2 | -155 | 176.4 | -174.7 | 0 | 115.7 | Y38 Q39 M44 | Y38-K42 HydrophobicContact CD1-CD 4.43Å; Y38-K42 HydrophobicContact CE1-CD 3.65Å; Y38-K42 HydrophobicContact CE1-CG 4.27Å; Y38-K42 HydrophobicContact CE2-CD 4.35Å; Y38-K42 VanDerWaalsContact CZ-CE 3.46Å; Y38-K42 PolarHBondContact O-N 2.9Å; Y38-K42 VanDerWaalsContact OH-CE 3.23Å; Y38-K42 WeakPolarHBondContact OH-CE 3.23Å; Y38-K42 PolarHBondContact OH-NZ 2.96Å; Q39-K42 PolarHBondContact O-N 3.28Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 3.2Å |
| 43 | G | 54.4 | Low | 61.2 | Low | 67 Ų | 67 | 108.5 Ų | 108.5 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.6 | 31.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q39 H45 | Q39-G43 PolarHBondContact O-N 2.71Å; G43-H45 PolarHBondContact O-N 3.36Å |
| 44 | M | 55.9 | Low | 62.2 | Low | 109 Ų | 109 | 107.2 Ų | 107.2 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | trans | -69.8 | 118.7 | 178.6 | -128.9 | 173.8 | 58.8 | 0 | 0 | 109.1 | Q39 K42 | Q39-M44 HydrophobicContact CG-CB 3.41Å; Q39-M44 VanDerWaalsContact CG-CB 3.41Å; Q39-M44 HydrophobicContact CG-CE 3.94Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 3.2Å | ||
| 45 | H | 58.1 | Low | 63.2 | Low | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.537 | 55% | 0.55 | S | S | . | * | trans | -52.2 | 127.7 | -169.7 | -139 | -98.7 | 0 | 0 | 0 | 111.5 | G43 L47 T48 | G43-H45 PolarHBondContact O-N 3.36Å; H45-L47 WeakPolarHBondContact ND1-CD1 3.48Å; H45-L47 WeakPolarHBondContact ND1-CG 3.24Å; H45-L47 PolarHBondContact O-N 3.4Å; H45-T48 WeakPolarHBondContact O-CB 3.41Å; H45-T48 PolarHBondContact O-N 2.89Å | ||
| 46 | P | 59.6 | Low | 63.9 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.3 | -24.8 | -178 | 20.9 | -32.2 | 0 | 0 | 0 | 112.7 | T48 F49 C50 | P46-T48 VanDerWaalsContact C-N 3.27Å; P46-T48 PolarHBondContact O-N 3.08Å; P46-F49 PolarHBondContact O-N 3.21Å; P46-C50 PolarHBondContact O-N 3.01Å; P46-C50 PolarHBondContact O-SG 3.4Å; P46-C50 VanDerWaalsContact O-SG 3.41Å |
| 47 | L | 64.5 | Low | 64.7 | Low | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -57.9 | -36.2 | 173.5 | -64 | 178.7 | 0 | 0 | 0 | 113.1 | H45 C50 R51 | H45-L47 WeakPolarHBondContact ND1-CD1 3.48Å; H45-L47 WeakPolarHBondContact ND1-CG 3.24Å; H45-L47 PolarHBondContact O-N 3.4Å; L47-C50 PolarHBondContact O-N 2.91Å; L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 3.24Å |
| 48 | T | 66.5 | Low | 65.8 | Low | 74 Ų | 74 | 101.6 Ų | 101.6 | 45% | 0.454 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 178.8 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | H45 P46 R51 V52 | H45-T48 WeakPolarHBondContact O-CB 3.41Å; H45-T48 PolarHBondContact O-N 2.89Å; P46-T48 VanDerWaalsContact C-N 3.27Å; P46-T48 PolarHBondContact O-N 3.08Å; T48-R51 PolarHBondContact O-N 2.82Å; T48-V52 WeakPolarHBondContact O-CG2 3.48Å; T48-V52 PolarHBondContact O-N 3.4Å; T48-V52 VanDerWaalsContact O-N 3.08Å |
| 49 | F | 63.5 | Low | 67 | Low | 121 Ų | 121 | 100.5 Ų | 100.5 | 53% | 0.531 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 174.2 | -179.1 | -96.9 | 0 | 0 | 0 | 111.2 | P46 R51 V52 A53 | P46-F49 PolarHBondContact O-N 3.21Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 3.33Å; F49-V52 PolarHBondContact O-N 2.96Å; F49-A53 WeakPolarHBondContact O-CB 3.37Å; F49-A53 PolarHBondContact O-N 2.74Å |
| 50 | C | 71.3 | Confident | 68.2 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 48% | 0.48 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.3 | -40 | 175.9 | -68 | 0 | 0 | 0 | 0 | 112.2 | P46 L47 A53 V54 | P46-C50 PolarHBondContact O-N 3.01Å; P46-C50 PolarHBondContact O-SG 3.4Å; P46-C50 VanDerWaalsContact O-SG 3.41Å; L47-C50 PolarHBondContact O-N 2.91Å; C50-A53 PolarHBondContact O-N 2.96Å; C50-V54 WeakPolarHBondContact O-CB 3.04Å; C50-V54 WeakPolarHBondContact O-CG2 3.26Å; C50-V54 PolarHBondContact O-N 3.06Å |
| 51 | R | 74.3 | Confident | 69.3 | Low | 205 Ų | 205 | 98.8 Ų | 98.8 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -44.7 | 178.1 | -69.2 | -120.8 | 175.8 | 145.5 | -2.1 | 112.5 | L47 T48 F49 V54 A55 | L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 3.24Å; T48-R51 PolarHBondContact O-N 2.82Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 3.33Å; R51-V54 PolarHBondContact O-N 3.34Å; R51-A55 WeakPolarHBondContact O-CB 3.3Å; R51-A55 PolarHBondContact O-N 2.79Å |
| 52 | V | 72.5 | Confident | 70.4 | Confident | 98 Ų | 98 | 94.7 Ų | 94.7 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | T48 F49 A55 M56 | T48-V52 WeakPolarHBondContact O-CG2 3.48Å; T48-V52 PolarHBondContact O-N 3.4Å; T48-V52 VanDerWaalsContact O-N 3.08Å; F49-V52 PolarHBondContact O-N 2.96Å; V52-A55 PolarHBondContact O-N 3.47Å; V52-M56 WeakPolarHBondContact O-CB 3.34Å; V52-M56 PolarHBondContact O-N 3.35Å |
| 53 | A | 74.7 | Confident | 71.4 | Confident | 40 Ų | 40 | 93.9 Ų | 93.9 | 33% | 0.331 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F49 C50 A55 M56 S57 | F49-A53 WeakPolarHBondContact O-CB 3.37Å; F49-A53 PolarHBondContact O-N 2.74Å; C50-A53 PolarHBondContact O-N 2.96Å; A53-A55 PolarHBondContact O-N 3.06Å; A53-M56 PolarHBondContact O-N 2.77Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.4Å |
| 54 | V | 81.8 | Confident | 72.5 | Confident | 104 Ų | 104 | 96.8 Ų | 96.8 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | C50 R51 S57 A58 | C50-V54 WeakPolarHBondContact O-CB 3.04Å; C50-V54 WeakPolarHBondContact O-CG2 3.26Å; C50-V54 PolarHBondContact O-N 3.06Å; R51-V54 PolarHBondContact O-N 3.34Å; V54-S57 PolarHBondContact O-N 2.95Å; V54-A58 WeakPolarHBondContact O-CB 3.35Å; V54-A58 PolarHBondContact O-N 2.83Å |
| 55 | A | 80.2 | Confident | 73.4 | Confident | 51 Ų | 51 | 98.5 Ų | 98.5 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R51 V52 A53 A58 L59 | R51-A55 WeakPolarHBondContact O-CB 3.3Å; R51-A55 PolarHBondContact O-N 2.79Å; V52-A55 PolarHBondContact O-N 3.47Å; A53-A55 PolarHBondContact O-N 3.06Å; A55-A58 PolarHBondContact O-N 3.22Å; A55-L59 WeakPolarHBondContact O-CD1 3.37Å; A55-L59 PolarHBondContact O-N 3.45Å |
| 56 | M | 71.8 | Confident | 73.5 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -42.7 | 178.3 | -166 | 65.8 | 178.2 | 0 | 0 | 111.7 | V52 A53 A58 L59 T60 | V52-M56 WeakPolarHBondContact O-CB 3.34Å; V52-M56 PolarHBondContact O-N 3.35Å; A53-M56 PolarHBondContact O-N 2.77Å; M56-A58 VanDerWaalsContact C-N 3.34Å; M56-A58 PolarHBondContact O-N 3.19Å; M56-L59 WeakPolarHBondContact O-CB 3.18Å; M56-L59 PolarHBondContact O-N 3.06Å; M56-T60 PolarHBondContact O-N 3.24Å; M56-T60 PolarHBondContact O-OG1 2.67Å; M56-T60 VanDerWaalsContact O-OG1 3.12Å |
| 57 | S | 76.9 | Confident | 74.2 | Confident | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.4 | -40.6 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | A53 V54 T60 V61 | A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.4Å; V54-S57 PolarHBondContact O-N 2.95Å; S57-T60 PolarHBondContact O-N 2.85Å; S57-V61 WeakPolarHBondContact O-CG2 3.19Å; S57-V61 PolarHBondContact O-N 2.87Å; S57-V61 VanDerWaalsContact O-N 3.1Å |
| 58 | A | 80.7 | Confident | 74.7 | Confident | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V54 A55 M56 T60 V61 V62 | V54-A58 WeakPolarHBondContact O-CB 3.35Å; V54-A58 PolarHBondContact O-N 2.83Å; A55-A58 PolarHBondContact O-N 3.22Å; M56-A58 VanDerWaalsContact C-N 3.34Å; M56-A58 PolarHBondContact O-N 3.19Å; A58-T60 VanDerWaalsContact C-N 3.32Å; A58-T60 PolarHBondContact O-N 3.22Å; A58-V61 PolarHBondContact O-N 3.46Å; A58-V62 WeakPolarHBondContact O-CG2 3.23Å; A58-V62 PolarHBondContact O-N 2.88Å |
| 59 | L | 81.7 | Confident | 75.2 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.3 | -42.1 | 174.1 | -82.3 | 154.2 | 0 | 0 | 0 | 111.7 | A55 M56 V62 N63 | A55-L59 WeakPolarHBondContact O-CD1 3.37Å; A55-L59 PolarHBondContact O-N 3.45Å; M56-L59 WeakPolarHBondContact O-CB 3.18Å; M56-L59 PolarHBondContact O-N 3.06Å; L59-V62 PolarHBondContact O-N 3.18Å; L59-N63 WeakPolarHBondContact O-CB 2.97Å; L59-N63 PolarHBondContact O-N 3.26Å |
| 60 | T | 78.4 | Confident | 75.9 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -44 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | M56 S57 A58 V62 N63 I64 | M56-T60 PolarHBondContact O-N 3.24Å; M56-T60 PolarHBondContact O-OG1 2.67Å; M56-T60 VanDerWaalsContact O-OG1 3.12Å; S57-T60 PolarHBondContact O-N 2.85Å; A58-T60 VanDerWaalsContact C-N 3.32Å; A58-T60 PolarHBondContact O-N 3.22Å; T60-V62 VanDerWaalsContact C-N 3.32Å; T60-V62 PolarHBondContact O-N 2.9Å; T60-N63 PolarHBondContact O-N 3.14Å; T60-I64 HydrophobicContact CG2-CD1 3.82Å; T60-I64 HydrophobicContact CG2-CG1 4.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.26Å; T60-I64 PolarHBondContact O-N 2.91Å |
| 61 | V | 75.5 | Confident | 76.2 | Confident | 84 Ų | 84 | 108.1 Ų | 108.1 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111 | S57 A58 N63 I64 L65 | S57-V61 WeakPolarHBondContact O-CG2 3.19Å; S57-V61 PolarHBondContact O-N 2.87Å; S57-V61 VanDerWaalsContact O-N 3.1Å; A58-V61 PolarHBondContact O-N 3.46Å; V61-N63 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 3.16Å; V61-I64 PolarHBondContact O-N 3.47Å; V61-L65 HydrophobicContact CG1-CD1 4.1Å; V61-L65 WeakPolarHBondContact O-CG 3.38Å; V61-L65 PolarHBondContact O-N 2.79Å |
| 62 | V | 80 | Confident | 76.3 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -35.7 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | A58 L59 T60 L65 R66 | A58-V62 WeakPolarHBondContact O-CG2 3.23Å; A58-V62 PolarHBondContact O-N 2.88Å; L59-V62 PolarHBondContact O-N 3.18Å; T60-V62 VanDerWaalsContact C-N 3.32Å; T60-V62 PolarHBondContact O-N 2.9Å; V62-L65 PolarHBondContact O-N 2.75Å; V62-R66 VanDerWaalsContact CG1-NH1 3.27Å; V62-R66 PolarHBondContact O-N 3.12Å |
| 63 | N | 76.9 | Confident | 76.6 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77.2 | -20 | 178.6 | -155.2 | 41.2 | 0 | 0 | 0 | 113.5 | L59 T60 V61 | L59-N63 WeakPolarHBondContact O-CB 2.97Å; L59-N63 PolarHBondContact O-N 3.26Å; T60-N63 PolarHBondContact O-N 3.14Å; V61-N63 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 3.16Å |
| 64 | I | 77.8 | Confident | 76.7 | Confident | 128 Ų | 128 | 106.6 Ų | 106.6 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -80.3 | -30.4 | 172.2 | -70.2 | 166.9 | 0 | 0 | 0 | 111.2 | T60 V61 | T60-I64 HydrophobicContact CG2-CD1 3.82Å; T60-I64 HydrophobicContact CG2-CG1 4.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.26Å; T60-I64 PolarHBondContact O-N 2.91Å; V61-I64 PolarHBondContact O-N 3.47Å |
| 65 | L | 74.8 | Confident | 76.3 | Confident | 146 Ų | 146 | 106.8 Ų | 106.8 | 76% | 0.764 | 58% | 0.579 | S | S | * | * | trans | -84.9 | -9.1 | 179.5 | -69.6 | 172.7 | 0 | 0 | 0 | 113.8 | V61 V62 | V61-L65 HydrophobicContact CG1-CD1 4.1Å; V61-L65 WeakPolarHBondContact O-CG 3.38Å; V61-L65 PolarHBondContact O-N 2.79Å; V62-L65 PolarHBondContact O-N 2.75Å | ||
| 66 | R | 61.1 | Low | 75.9 | Confident | 247 Ų | 247 | 111.9 Ų | 111.9 | 93% | 0.932 | 59% | 0.593 | S | S | * | * | trans | -98 | 0 | 169.4 | -75.1 | -164.4 | 174.1 | 108.1 | 1.7 | 110.1 | V62 | V62-R66 VanDerWaalsContact CG1-NH1 3.27Å; V62-R66 PolarHBondContact O-N 3.12Å |
Retrieved 66 of 66 residues in 18.9 ms
(Link to these results)