| 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 | 37.7 | Very low | 65.1 | Low | 246 Ų | 246 | 108.9 Ų | 108.9 | 100% | 1.212 | 61% | 0.612 | S | S | * | * | 0 | 117.1 | 0 | -80.1 | 166.8 | 178.7 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.23Š| |||
| 2 | G | 37.6 | Very low | 67.9 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 76% | 0.763 | 56% | 0.561 | S | S | * | * | trans | -63 | 124.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I4 | G2-I4 PolarHBondContact O-N 3.03Š| ||
| 3 | S | 41.1 | Very low | 70.2 | Confident | 109 Ų | 109 | 92.2 Ų | 92.2 | 76% | 0.762 | 52% | 0.518 | S | S | * | . | trans | -64.7 | 101.5 | 169 | -175 | 0 | 0 | 0 | 0 | 107 | M1 I5 | M1-S3 PolarHBondContact O-N 3.23Å; S3-I5 VanDerWaalsContact C-N 3.35Å; S3-I5 PolarHBondContact O-N 3.03Å | ||
| 4 | I | 47.1 | Very low | 72.1 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 72% | 0.723 | 48% | 0.482 | S | S | * | . | trans | -65.8 | 105.7 | 165.2 | -59.8 | 175.2 | 0 | 0 | 0 | 104.1 | G2 T6 | G2-I4 PolarHBondContact O-N 3.03Å; I4-T6 HydrophobicContact CB-CG2 4.49Å; I4-T6 HydrophobicContact CG2-CG2 3.79Å; I4-T6 PolarHBondContact O-N 3.02Å | ||
| 5 | I | 47.5 | Very low | 73.6 | Confident | 157 Ų | 157 | 84.9 Ų | 84.9 | 81% | 0.805 | 48% | 0.476 | S | S | * | . | trans | -66.6 | 82.2 | 167.5 | -56.3 | 175.1 | 0 | 0 | 0 | 105.4 | S3 S7 | S3-I5 VanDerWaalsContact C-N 3.35Å; S3-I5 PolarHBondContact O-N 3.03Å; I5-S7 PolarHBondContact O-N 2.99Å | ||
| 6 | T | 56.6 | Low | 74.7 | Confident | 108 Ų | 108 | 82 Ų | 82 | 66% | 0.663 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 121.1 | 165.9 | 53 | 0 | 0 | 0 | 0 | 105.7 | I4 E8 | I4-T6 HydrophobicContact CB-CG2 4.49Å; I4-T6 HydrophobicContact CG2-CG2 3.79Å; I4-T6 PolarHBondContact O-N 3.02Å; T6-E8 PolarHBondContact O-N 3.11Å |
| 7 | S | 69.2 | Low | 75.8 | Confident | 88 Ų | 88 | 81.6 Ų | 81.6 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -47.7 | 134.2 | 175.8 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | I5 K9 | I5-S7 PolarHBondContact O-N 2.99Å; S7-K9 PolarHBondContact O-N 3.09Å; S7-K9 VanDerWaalsContact O-N 3.12Å |
| 8 | E | 85.5 | Confident | 76.9 | Confident | 122 Ų | 122 | 77.1 Ų | 77.1 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 120.7 | -179.2 | -167.2 | 179.3 | 163.1 | 0 | 0 | 109.7 | T6 N37 T39 | T6-E8 PolarHBondContact O-N 3.11Å; E8-N37 WeakPolarHBondContact CG-O 3.38Å; E8-N37 VanDerWaalsContact OE1-O 3.05Å; E8-T39 VanDerWaalsContact CD-OG1 3.29Å; E8-T39 PolarHBondContact OE1-OG1 3.16Å |
| 9 | K | 96.7 | Very high | 78 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -65 | 149.8 | -178.3 | -70.2 | -67.7 | -179.2 | 177 | 0 | 110.5 | S7 E34 Y35 A38 T39 D53 | S7-K9 PolarHBondContact O-N 3.09Å; S7-K9 VanDerWaalsContact O-N 3.12Å; K9-E34 VanDerWaalsContact CG-O 3.26Å; K9-E34 WeakPolarHBondContact CG-O 3.39Å; K9-Y35 HydrophobicContact CB-CD1 3.89Å; K9-Y35 HydrophobicContact CB-CE1 4.22Å; K9-Y35 HydrophobicContact CD-CE1 4.49Å; K9-Y35 HydrophobicContact CG-CD1 4.31Å; K9-Y35 HydrophobicContact CG-CE1 4.39Å; K9-A38 HydrophobicContact CB-CB 3.93Å; K9-A38 CarbonylContact O-C 3.48Å; K9-A38 WeakPolarHBondContact O-CA 3.48Å; K9-A38 WeakPolarHBondContact O-CB 3.45Å; K9-T39 PolarHBondContact O-N 2.87Å; K9-D53 VanDerWaalsContact CA-OD2 3.31Å; K9-D53 WeakPolarHBondContact CA-OD2 3.37Å; K9-D53 HydrophobicContact CD-CB 3.88Å; K9-D53 WeakPolarHBondContact CD-OD1 3.39Å; K9-D53 WeakPolarHBondContact CD-OD2 3.36Å; K9-D53 IonicContact NZ-OD1 3.81Å; K9-D53 PolarHBondContact NZ-OD1 3.45Å |
| 10 | R | 98.1 | Very high | 79 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 31% | 0.306 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.7 | -180 | -64.6 | 175.5 | 70.3 | -156.1 | -1.8 | 110.7 | T39 V41 A51 C52 D53 I54 | R10-T39 WeakPolarHBondContact CA-O 3.5Å; R10-V41 HydrophobicContact CB-CG2 4.15Å; R10-V41 HydrophobicContact CG-CG2 4.35Å; R10-A51 PolarHBondContact NH1-O 3.22Å; R10-C52 HydrophobicContact CB-CB 4.26Å; R10-D53 PolarHBondContact N-OD2 2.9Å; R10-D53 PolarHBondContact O-N 3.01Å; R10-I54 PolarHBondContact O-N 3.08Å |
| 11 | I | 98.7 | Very high | 80 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111.4 | 172.3 | -55.6 | 170 | 0 | 0 | 0 | 107.9 | V26 L29 K30 Y35 A38 T39 V40 V41 I54 V56 | I11-V26 HydrophobicContact CG2-CG2 4Å; I11-L29 HydrophobicContact CD1-CB 3.92Å; I11-L29 HydrophobicContact CD1-CD1 4.31Å; I11-L29 HydrophobicContact CG1-CD1 4.46Å; I11-L29 HydrophobicContact CG2-CD1 4.01Å; I11-K30 HydrophobicContact CD1-CG 4.16Å; I11-Y35 HydrophobicContact CG1-CD1 4.26Å; I11-A38 HydrophobicContact CD1-CB 3.92Å; I11-A38 HydrophobicContact CG1-CB 3.88Å; I11-T39 PolarHBondContact N-O 3.06Å; I11-V40 CarbonylContact O-C 3.6Å; I11-V40 WeakPolarHBondContact O-CA 3.41Å; I11-V41 PolarHBondContact O-N 2.92Å; I11-I54 CarbonylContact C-O 3.59Å; I11-I54 WeakPolarHBondContact CA-O 3.46Å; I11-I54 HydrophobicContact CB-CG2 4.19Å; I11-I54 HydrophobicContact CG1-CG2 3.79Å; I11-I54 HydrophobicContact CG2-CG2 4.19Å; I11-V56 HydrophobicContact CG2-CG2 4.14Å |
| 12 | G | 98.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 135.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V41 I54 V55 V56 | G12-V41 CarbonylContact C-O 3.52Å; G12-V41 WeakPolarHBondContact CA-O 3.33Å; G12-I54 PolarHBondContact N-O 3.12Å; G12-V55 CarbonylContact O-C 3.49Å; G12-V55 WeakPolarHBondContact O-CA 3.36Å; G12-V56 PolarHBondContact O-N 3.43Å |
| 13 | T | 98.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 177.6 | 169 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | E22 V40 V41 R42 S43 V56 F180 | T13-E22 WeakPolarHBondContact OG1-CB 3.48Å; T13-E22 WeakPolarHBondContact OG1-CG 3.46Å; T13-V40 HydrophobicContact CG2-CG1 4.06Å; T13-V41 PolarHBondContact N-O 3.05Å; T13-R42 HydrophobicContact CG2-CG 3.86Å; T13-R42 CarbonylContact O-C 3.6Å; T13-R42 VanDerWaalsContact O-CA 3.28Å; T13-R42 WeakPolarHBondContact O-CA 3.22Å; T13-S43 PolarHBondContact O-N 2.93Å; T13-V56 WeakPolarHBondContact CA-O 3.33Å; T13-V56 WeakPolarHBondContact CB-O 3.29Å; T13-V56 PolarHBondContact OG1-O 2.95Å; T13-F180 HydrophobicContact CG2-CZ 4.23Å |
| 14 | H | 97 | Very high | 88.5 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | trans | -75.7 | 153.7 | -177.9 | 72.5 | 70.3 | 0 | 0 | 0 | 113.6 | C17 H19 E22 R42 R44 D57 V58 | H14-C17 PolarHBondContact CE1-O 2.99Å; H14-H19 AromaticContact NE2-ND1 3.77Å; H14-E22 IonicContact CE1-OE1 3.22Å; H14-E22 PolarHBondContact CE1-OE1 3.2Å; H14-E22 VanDerWaalsContact CE1-OE1 3.22Å; H14-E22 IonicContact NE2-OE1 3.32Å; H14-E22 PolarHBondContact NE2-OE1 3.31Å; H14-R42 PolarHBondContact O-NE 3.16Å; H14-R44 HydrophobicContact CB-CG 4.21Å; H14-R44 PolarHBondContact ND1-NH2 2.86Å; H14-D57 PolarHBondContact CD2-O 3.17Å; H14-D57 IonicContact CD2-OD2 3.29Å; H14-D57 PolarHBondContact CD2-OD2 2.73Å; H14-D57 VanDerWaalsContact CD2-OD2 3.29Å; H14-D57 IonicContact NE2-OD2 3.22Å; H14-D57 PolarHBondContact NE2-OD2 3.35Å; H14-V58 HydrophobicContact CB-CB 4.04Å; H14-V58 HydrophobicContact CB-CG2 3.96Å | ||
| 15 | N | 94.1 | Very high | 91 | Very high | 72 Ų | 72 | 42 Ų | 42 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | trans | -86.6 | 176.8 | 170.2 | 62.2 | -29.2 | 0 | 0 | 0 | 112.3 | R42 R44 | N15-R42 HydrophobicContact CB-CB 4.28Å; N15-R44 PolarHBondContact O-NH1 3.13Å; N15-R44 PolarHBondContact OD1-NH1 2.79Å | ||
| 16 | G | 91 | Very high | 93.4 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 39% | 0.392 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 85.9 | -144.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F18 R42 | G16-F18 PolarHBondContact O-N 2.74Å; G16-R42 PolarHBondContact O-NH2 3.29Å |
| 17 | C | 93.3 | Very high | 95.4 | Very high | 75 Ų | 75 | 29.6 Ų | 29.6 | 51% | 0.507 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -60.7 | 129 | 174 | -178 | 0 | 0 | 0 | 0 | 109.1 | H14 N166 | H14-C17 PolarHBondContact CE1-O 2.99Å; C17-N166 WeakPolarHBondContact CA-OD1 3.49Å |
| 18 | F | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | trans | -104 | 150.7 | 178.7 | 56.2 | -101.7 | 0 | 0 | 0 | 112.6 | G16 E22 V23 V162 L165 N166 A179 F180 A183 | G16-F18 PolarHBondContact O-N 2.74Å; F18-E22 VanDerWaalsContact C-OE1 3.3Å; F18-E22 WeakPolarHBondContact CA-OE1 3.05Å; F18-E22 WeakPolarHBondContact CB-OE1 3.18Å; F18-V23 HydrophobicContact CD2-CG2 4.17Å; F18-V162 HydrophobicContact CD2-CG1 3.82Å; F18-V162 HydrophobicContact CE2-CG1 3.89Å; F18-L165 HydrophobicContact CE2-CB 4.07Å; F18-L165 HydrophobicContact CZ-CB 3.88Å; F18-N166 WeakPolarHBondContact CD1-OD1 3.47Å; F18-N166 WeakPolarHBondContact CE1-OD1 3.39Å; F18-N166 WeakPolarHBondContact CG-OD1 3.35Å; F18-N166 PolarHBondContact N-OD1 2.97Å; F18-N166 PolarHBondContact O-ND2 3.38Å; F18-A179 HydrophobicContact CE1-CB 3.75Å; F18-A179 HydrophobicContact CZ-CB 3.92Å; F18-F180 HydrophobicContact CB-CD2 3.64Å; F18-F180 HydrophobicContact CB-CE2 3.81Å; F18-F180 HydrophobicContact CD1-CB 4.19Å; F18-F180 AromaticContact CD1-CD2 3.73Å; F18-F180 HydrophobicContact CD1-CD2 3.73Å; F18-F180 HydrophobicContact CD1-CG 4.48Å; F18-F180 HydrophobicContact CD2-CD2 4.36Å; F18-F180 HydrophobicContact CE1-CB 4.24Å; F18-F180 HydrophobicContact CE1-CD2 4.47Å; F18-F180 AromaticContact CG-CD2 3.66Å; F18-F180 HydrophobicContact CG-CD2 3.66Å; F18-F180 HydrophobicContact CG-CE2 4.27Å; F18-A183 HydrophobicContact CD2-CB 4.12Å; F18-A183 HydrophobicContact CE2-CB 3.58Å; F18-A183 HydrophobicContact CZ-CB 4.12Å | ||
| 19 | H | 97.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 19.7 Ų | 19.7 | 30% | 0.296 | 11% | 0.108 | S | C | . | . | trans | -110 | 178 | 178 | -49.7 | 113.4 | 0 | 0 | 0 | 110.6 | H14 E22 V23 V162 | H14-H19 AromaticContact NE2-ND1 3.77Å; H19-E22 WeakPolarHBondContact CA-OE2 3.39Å; H19-E22 VanDerWaalsContact CB-OE2 3.28Å; H19-E22 WeakPolarHBondContact CB-OE2 3.38Å; H19-E22 PolarHBondContact N-OE1 3.15Å; H19-E22 PolarHBondContact N-OE2 3.18Å; H19-V23 WeakPolarHBondContact O-CG2 3.28Å; H19-V162 WeakPolarHBondContact O-CG1 3.4Å | ||
| 20 | C | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -76.1 | -21.5 | 175.4 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | L24 Y159 V162 | C20-L24 VanDerWaalsContact O-CB 3.29Å; C20-L24 WeakPolarHBondContact O-CB 3.47Å; C20-L24 PolarHBondContact O-N 2.89Å; C20-Y159 HydrophobicContact CB-CD2 3.71Å; C20-Y159 HydrophobicContact CB-CG 4.38Å; C20-V162 HydrophobicContact CB-CB 4.2Å; C20-V162 HydrophobicContact CB-CG1 4.38Å; C20-V162 HydrophobicContact CB-CG2 4.25Å |
| 21 | D | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.5 | -62.7 | -174.2 | -175 | 37.6 | 0 | 0 | 0 | 111.8 | V23 L24 A25 S94 S95 A96 I136 D140 | D21-V23 VanDerWaalsContact C-N 3.27Å; D21-V23 PolarHBondContact O-N 3.25Å; D21-L24 PolarHBondContact O-N 3.46Å; D21-L24 VanDerWaalsContact O-N 3.14Å; D21-A25 PolarHBondContact O-N 2.98Å; D21-S94 VanDerWaalsContact CG-OG 3.25Å; D21-S94 WeakPolarHBondContact OD1-CB 3.4Å; D21-S94 PolarHBondContact OD1-OG 2.63Å; D21-S94 WeakPolarHBondContact OD2-CB 3.3Å; D21-S95 PolarHBondContact OD1-N 2.75Å; D21-S95 WeakPolarHBondContact OD2-CA 3.48Å; D21-S95 WeakPolarHBondContact OD2-CB 3.37Å; D21-S95 PolarHBondContact OD2-N 2.89Å; D21-A96 WeakPolarHBondContact OD1-CA 3.34Å; D21-A96 WeakPolarHBondContact OD1-CB 3.5Å; D21-A96 PolarHBondContact OD1-N 3.01Å; D21-I136 HydrophobicContact CB-CG2 4.33Å; D21-D140 HydrophobicContact CB-CB 4.15Å; D21-D140 WeakPolarHBondContact CB-OD1 3.37Å |
| 22 | E | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.8 | -31.6 | -179.7 | 81.5 | -77.4 | -159.5 | 0 | 0 | 112.5 | T13 H14 F18 H19 A25 V26 D57 F180 | T13-E22 WeakPolarHBondContact OG1-CB 3.48Å; T13-E22 WeakPolarHBondContact OG1-CG 3.46Å; H14-E22 IonicContact CE1-OE1 3.22Å; H14-E22 PolarHBondContact CE1-OE1 3.2Å; H14-E22 VanDerWaalsContact CE1-OE1 3.22Å; H14-E22 IonicContact NE2-OE1 3.32Å; H14-E22 PolarHBondContact NE2-OE1 3.31Å; F18-E22 VanDerWaalsContact C-OE1 3.3Å; F18-E22 WeakPolarHBondContact CA-OE1 3.05Å; F18-E22 WeakPolarHBondContact CB-OE1 3.18Å; H19-E22 WeakPolarHBondContact CA-OE2 3.39Å; H19-E22 VanDerWaalsContact CB-OE2 3.28Å; H19-E22 WeakPolarHBondContact CB-OE2 3.38Å; H19-E22 PolarHBondContact N-OE1 3.15Å; H19-E22 PolarHBondContact N-OE2 3.18Å; E22-A25 PolarHBondContact O-N 3.18Å; E22-V26 WeakPolarHBondContact O-CB 3.35Å; E22-V26 VanDerWaalsContact O-CG2 3.26Å; E22-V26 WeakPolarHBondContact O-CG2 3.11Å; E22-V26 PolarHBondContact O-N 3.36Å; E22-D57 HydrophobicContact CB-CB 3.57Å; E22-F180 HydrophobicContact CG-CE2 4.17Å; E22-F180 HydrophobicContact CG-CZ 4.44Å |
| 23 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | F18 H19 D21 V26 V27 V162 F180 A183 I184 V187 | F18-V23 HydrophobicContact CD2-CG2 4.17Å; H19-V23 WeakPolarHBondContact O-CG2 3.28Å; D21-V23 VanDerWaalsContact C-N 3.27Å; D21-V23 PolarHBondContact O-N 3.25Å; V23-V26 PolarHBondContact O-N 3.43Å; V23-V27 VanDerWaalsContact O-CG2 3.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.41Å; V23-V27 PolarHBondContact O-N 3.09Å; V23-V162 HydrophobicContact CG2-CG1 4.34Å; V23-F180 HydrophobicContact CG2-CD2 4.09Å; V23-F180 HydrophobicContact CG2-CE2 3.55Å; V23-F180 HydrophobicContact CG2-CZ 4.09Å; V23-A183 HydrophobicContact CG1-CB 4Å; V23-A183 HydrophobicContact CG2-CB 4.02Å; V23-I184 HydrophobicContact CG1-CG1 4.2Å; V23-V187 HydrophobicContact CB-CG2 4.44Å; V23-V187 HydrophobicContact CG1-CB 3.93Å; V23-V187 HydrophobicContact CG1-CG1 4.5Å; V23-V187 HydrophobicContact CG1-CG2 3.6Å |
| 24 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.1 | 176.9 | 61.4 | 0 | 0 | 0 | 111.7 | C20 D21 V26 V27 L28 A96 F132 I133 I136 V187 F191 | C20-L24 VanDerWaalsContact O-CB 3.29Å; C20-L24 WeakPolarHBondContact O-CB 3.47Å; C20-L24 PolarHBondContact O-N 2.89Å; D21-L24 PolarHBondContact O-N 3.46Å; D21-L24 VanDerWaalsContact O-N 3.14Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 PolarHBondContact O-N 3.22Å; L24-V27 WeakPolarHBondContact O-CB 3.39Å; L24-V27 PolarHBondContact O-N 3.46Å; L24-V27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CD2 4.34Å; L24-L28 HydrophobicContact CD1-CG 3.96Å; L24-L28 HydrophobicContact CG-CD1 4.1Å; L24-L28 HydrophobicContact CG-CG 4.21Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-A96 HydrophobicContact CB-CB 3.96Å; L24-A96 HydrophobicContact CD2-CB 3.74Å; L24-A96 HydrophobicContact CG-CB 3.89Å; L24-F132 HydrophobicContact CD1-CE1 4.13Å; L24-F132 HydrophobicContact CD2-CD1 4.25Å; L24-F132 HydrophobicContact CD2-CE1 4.06Å; L24-I133 HydrophobicContact CD2-CD1 3.71Å; L24-I136 HydrophobicContact CB-CD1 4.42Å; L24-I136 HydrophobicContact CD2-CD1 3.3Å; L24-I136 HydrophobicContact CG-CD1 4.41Å; L24-V187 HydrophobicContact CB-CG1 3.92Å; L24-V187 HydrophobicContact CD1-CG1 3.7Å; L24-V187 HydrophobicContact CG-CG1 4.4Å; L24-F191 HydrophobicContact CD1-CD2 4.33Å |
| 25 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.6 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D21 E22 L28 L29 V56 V99 | D21-A25 PolarHBondContact O-N 2.98Å; E22-A25 PolarHBondContact O-N 3.18Å; A25-L28 PolarHBondContact O-N 3.27Å; A25-L29 WeakPolarHBondContact O-CG 3.39Å; A25-L29 PolarHBondContact O-N 2.84Å; A25-L29 VanDerWaalsContact O-N 3.15Å; A25-V56 HydrophobicContact CB-CB 3.95Å; A25-V56 HydrophobicContact CB-CG1 4.07Å; A25-V56 HydrophobicContact CB-CG2 4.1Å; A25-V99 HydrophobicContact CB-CB 4.49Å; A25-V99 HydrophobicContact CB-CG2 4.03Å |
| 26 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | I11 E22 V23 L24 L29 K30 V40 V56 I184 | I11-V26 HydrophobicContact CG2-CG2 4Å; E22-V26 WeakPolarHBondContact O-CB 3.35Å; E22-V26 VanDerWaalsContact O-CG2 3.26Å; E22-V26 WeakPolarHBondContact O-CG2 3.11Å; E22-V26 PolarHBondContact O-N 3.36Å; V23-V26 PolarHBondContact O-N 3.43Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 PolarHBondContact O-N 3.22Å; V26-L29 PolarHBondContact O-N 2.87Å; V26-K30 HydrophobicContact CG1-CD 3.94Å; V26-K30 HydrophobicContact CG1-CG 4.43Å; V26-K30 WeakPolarHBondContact O-CB 3.38Å; V26-K30 WeakPolarHBondContact O-CG 3.35Å; V26-K30 PolarHBondContact O-N 3.39Å; V26-V40 HydrophobicContact CG1-CG2 3.7Å; V26-V40 HydrophobicContact CG2-CG1 4.34Å; V26-V56 HydrophobicContact CG2-CG2 4.16Å; V26-I184 HydrophobicContact CG1-CD1 3.9Å; V26-I184 HydrophobicContact CG1-CG1 4.42Å |
| 27 | V | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 178 | 162.5 | 0 | 0 | 0 | 0 | 111.3 | V23 L24 L29 K30 Y31 I184 V187 | V23-V27 VanDerWaalsContact O-CG2 3.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.41Å; V23-V27 PolarHBondContact O-N 3.09Å; L24-V27 WeakPolarHBondContact O-CB 3.39Å; L24-V27 PolarHBondContact O-N 3.46Å; L24-V27 VanDerWaalsContact O-N 3.13Å; V27-L29 PolarHBondContact O-N 2.81Å; V27-K30 PolarHBondContact O-N 2.9Å; V27-Y31 HydrophobicContact CG1-CD2 4.29Å; V27-Y31 HydrophobicContact CG1-CE2 3.62Å; V27-Y31 WeakPolarHBondContact O-CD2 3.07Å; V27-Y31 PolarHBondContact O-N 3.48Å; V27-I184 HydrophobicContact CG2-CB 4.41Å; V27-I184 HydrophobicContact CG2-CG2 3.93Å; V27-V187 HydrophobicContact CB-CG1 4.39Å; V27-V187 HydrophobicContact CG1-CG1 4.49Å; V27-V187 HydrophobicContact CG2-CB 4.22Å; V27-V187 HydrophobicContact CG2-CG1 4.13Å |
| 28 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 178.8 | -71 | 173.5 | 0 | 0 | 0 | 111.1 | L24 A25 K30 Y31 V99 Y100 V107 F191 | L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CD2 4.34Å; L24-L28 HydrophobicContact CD1-CG 3.96Å; L24-L28 HydrophobicContact CG-CD1 4.1Å; L24-L28 HydrophobicContact CG-CG 4.21Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 3.38Å; A25-L28 PolarHBondContact O-N 3.27Å; L28-K30 PolarHBondContact O-N 3.47Å; L28-Y31 PolarHBondContact O-N 2.94Å; L28-V99 HydrophobicContact CB-CG1 3.83Å; L28-V99 HydrophobicContact CD1-CB 4.48Å; L28-V99 HydrophobicContact CD1-CG1 4.03Å; L28-Y100 HydrophobicContact CD1-CD2 4.1Å; L28-Y100 HydrophobicContact CD2-CD2 4.19Å; L28-V107 HydrophobicContact CB-CG2 4.49Å; L28-V107 HydrophobicContact CD2-CG1 4.19Å; L28-V107 WeakPolarHBondContact O-CG2 3.44Å; L28-F191 HydrophobicContact CD2-CD1 4.46Å; L28-F191 HydrophobicContact CD2-CD2 4.43Å; L28-F191 HydrophobicContact CD2-CE1 3.78Å; L28-F191 HydrophobicContact CD2-CE2 3.76Å; L28-F191 HydrophobicContact CD2-CZ 3.39Å |
| 29 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 178.6 | -68.8 | 171.8 | 0 | 0 | 0 | 111.5 | I11 A25 V26 V27 Y31 L32 Y35 I54 V56 V99 F103 | I11-L29 HydrophobicContact CD1-CB 3.92Å; I11-L29 HydrophobicContact CD1-CD1 4.31Å; I11-L29 HydrophobicContact CG1-CD1 4.46Å; I11-L29 HydrophobicContact CG2-CD1 4.01Å; A25-L29 WeakPolarHBondContact O-CG 3.39Å; A25-L29 PolarHBondContact O-N 2.84Å; A25-L29 VanDerWaalsContact O-N 3.15Å; V26-L29 PolarHBondContact O-N 2.87Å; V27-L29 PolarHBondContact O-N 2.81Å; L29-Y31 PolarHBondContact O-N 3.14Å; L29-Y31 VanDerWaalsContact O-N 3.08Å; L29-L32 HydrophobicContact CD2-CD1 4.41Å; L29-L32 VanDerWaalsContact O-CB 3.31Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 3.07Å; L29-Y35 HydrophobicContact CB-CD2 4.27Å; L29-Y35 HydrophobicContact CB-CG 4.43Å; L29-Y35 HydrophobicContact CD2-CD2 4.1Å; L29-Y35 HydrophobicContact CD2-CE2 4.13Å; L29-Y35 WeakPolarHBondContact O-CB 3.47Å; L29-I54 HydrophobicContact CD1-CD1 3.62Å; L29-I54 HydrophobicContact CD1-CG1 4.05Å; L29-I54 HydrophobicContact CD1-CG2 4.05Å; L29-I54 HydrophobicContact CD2-CD1 3.54Å; L29-I54 HydrophobicContact CG-CD1 4.23Å; L29-V56 HydrophobicContact CD1-CG1 3.86Å; L29-V99 HydrophobicContact CD2-CG1 3.98Å; L29-V99 HydrophobicContact CG-CG1 3.97Å; L29-F103 HydrophobicContact CD2-CD2 4.16Å; L29-F103 HydrophobicContact CD2-CE2 4.36Å; L29-F103 HydrophobicContact CD2-CG 4.44Å |
| 30 | K | 98.4 | Very high | 98 | Very high | 52 Ų | 52 | 29.5 Ų | 29.5 | 23% | 0.226 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -13.6 | -179.5 | -79.6 | -179.2 | 169.3 | -77.5 | 0 | 114.7 | I11 V26 V27 L28 R36 A38 | I11-K30 HydrophobicContact CD1-CG 4.16Å; V26-K30 HydrophobicContact CG1-CD 3.94Å; V26-K30 HydrophobicContact CG1-CG 4.43Å; V26-K30 WeakPolarHBondContact O-CB 3.38Å; V26-K30 WeakPolarHBondContact O-CG 3.35Å; V26-K30 PolarHBondContact O-N 3.39Å; V27-K30 PolarHBondContact O-N 2.9Å; L28-K30 PolarHBondContact O-N 3.47Å; K30-R36 VanDerWaalsContact O-CA 3.3Å; K30-R36 WeakPolarHBondContact O-CA 3.4Å; K30-A38 PolarHBondContact NZ-O 3.39Å |
| 31 | Y | 98.3 | Very high | 97.9 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 14% | 0.137 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.2 | -22.3 | 168.9 | -74.8 | -61.2 | 0 | 0 | 0 | 113.7 | V27 L28 L29 V107 L111 S188 F191 L192 | V27-Y31 HydrophobicContact CG1-CD2 4.29Å; V27-Y31 HydrophobicContact CG1-CE2 3.62Å; V27-Y31 WeakPolarHBondContact O-CD2 3.07Å; V27-Y31 PolarHBondContact O-N 3.48Å; L28-Y31 PolarHBondContact O-N 2.94Å; L29-Y31 PolarHBondContact O-N 3.14Å; L29-Y31 VanDerWaalsContact O-N 3.08Å; Y31-V107 HydrophobicContact CD2-CG1 4.14Å; Y31-V107 HydrophobicContact CG-CG1 4.38Å; Y31-L111 HydrophobicContact CD1-CD2 3.63Å; Y31-L111 HydrophobicContact CD1-CG 4.43Å; Y31-L111 HydrophobicContact CD2-CD1 4.36Å; Y31-L111 HydrophobicContact CE1-CD2 3.88Å; Y31-L111 HydrophobicContact CG-CD1 4.37Å; Y31-L111 HydrophobicContact CG-CD2 4.14Å; Y31-L111 HydrophobicContact CG-CG 4.48Å; Y31-S188 PolarHBondContact OH-O 2.98Å; Y31-S188 PolarHBondContact OH-OG 2.88Å; Y31-F191 HydrophobicContact CD2-CD1 4.35Å; Y31-F191 HydrophobicContact CD2-CE1 4.33Å; Y31-F191 AromaticContact CE2-CD1 3.8Å; Y31-F191 HydrophobicContact CE2-CD1 3.8Å; Y31-F191 HydrophobicContact CE2-CE1 4.22Å; Y31-L192 HydrophobicContact CE1-CD1 4.3Å; Y31-L192 HydrophobicContact CE1-CD2 3.88Å; Y31-L192 HydrophobicContact CE1-CG 4.3Å; Y31-L192 WeakPolarHBondContact OH-CD1 3.39Å; Y31-L192 WeakPolarHBondContact OH-CG 3.23Å |
| 32 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -73.6 | 139.8 | 177.8 | -60.1 | 176.4 | 0 | 0 | 0 | 110.8 | L29 E34 Y35 R36 F103 R106 V107 | L29-L32 HydrophobicContact CD2-CD1 4.41Å; L29-L32 VanDerWaalsContact O-CB 3.31Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 3.07Å; L32-E34 VanDerWaalsContact C-N 3.26Å; L32-E34 HydrophobicContact CB-CG 4.48Å; L32-E34 PolarHBondContact O-N 3.45Å; L32-Y35 HydrophobicContact CB-CD2 4.25Å; L32-Y35 HydrophobicContact CD1-CD2 4.14Å; L32-Y35 HydrophobicContact CD1-CE2 4.43Å; L32-Y35 PolarHBondContact O-N 3.38Å; L32-Y35 VanDerWaalsContact O-N 3.07Å; L32-R36 PolarHBondContact O-N 3.49Å; L32-F103 HydrophobicContact CD1-CB 4.13Å; L32-F103 HydrophobicContact CD1-CD1 3.67Å; L32-F103 HydrophobicContact CD1-CE1 4.44Å; L32-F103 HydrophobicContact CD1-CG 4.11Å; L32-R106 HydrophobicContact CD2-CB 3.67Å; L32-V107 HydrophobicContact CD2-CG2 3.81Å; L32-V107 HydrophobicContact CG-CG2 4.01Å |
| 33 | P | 96.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 32.8 Ų | 32.8 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -41 | -178.2 | -28.4 | 35.6 | 0 | 0 | 0 | 114 | Y35 | P33-Y35 VanDerWaalsContact C-N 3.31Å; P33-Y35 PolarHBondContact O-N 3Å |
| 34 | E | 96.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.7 | -178.5 | 62.3 | -94.9 | -141.6 | 0 | 0 | 114.1 | K9 L32 R106 | K9-E34 VanDerWaalsContact CG-O 3.26Å; K9-E34 WeakPolarHBondContact CG-O 3.39Å; L32-E34 VanDerWaalsContact C-N 3.26Å; L32-E34 HydrophobicContact CB-CG 4.48Å; L32-E34 PolarHBondContact O-N 3.45Å; E34-R106 VanDerWaalsContact CD-NH2 3.28Å; E34-R106 IonicContact OE1-CZ 3.89Å; E34-R106 IonicContact OE1-NH1 2.72Å; E34-R106 PolarHBondContact OE1-NH1 3.14Å; E34-R106 IonicContact OE1-NH2 2.75Å; E34-R106 PolarHBondContact OE1-NH2 3.36Å; E34-R106 IonicContact OE2-NH2 3.89Å; E34-R106 PolarHBondContact OE2-NH2 3.09Å |
| 35 | Y | 97.5 | Very high | 97.6 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 0.7 | -178.1 | -61.1 | -64.7 | 0 | 0 | 0 | 113.4 | K9 I11 L29 L32 P33 N37 A38 D53 I54 | K9-Y35 HydrophobicContact CB-CD1 3.89Å; K9-Y35 HydrophobicContact CB-CE1 4.22Å; K9-Y35 HydrophobicContact CD-CE1 4.49Å; K9-Y35 HydrophobicContact CG-CD1 4.31Å; K9-Y35 HydrophobicContact CG-CE1 4.39Å; I11-Y35 HydrophobicContact CG1-CD1 4.26Å; L29-Y35 HydrophobicContact CB-CD2 4.27Å; L29-Y35 HydrophobicContact CB-CG 4.43Å; L29-Y35 HydrophobicContact CD2-CD2 4.1Å; L29-Y35 HydrophobicContact CD2-CE2 4.13Å; L29-Y35 WeakPolarHBondContact O-CB 3.47Å; L32-Y35 HydrophobicContact CB-CD2 4.25Å; L32-Y35 HydrophobicContact CD1-CD2 4.14Å; L32-Y35 HydrophobicContact CD1-CE2 4.43Å; L32-Y35 PolarHBondContact O-N 3.38Å; L32-Y35 VanDerWaalsContact O-N 3.07Å; P33-Y35 VanDerWaalsContact C-N 3.31Å; P33-Y35 PolarHBondContact O-N 3Å; Y35-N37 PolarHBondContact O-N 2.65Å; Y35-A38 HydrophobicContact CD1-CB 4.29Å; Y35-A38 WeakPolarHBondContact O-CB 3.38Å; Y35-A38 PolarHBondContact O-N 2.71Å; Y35-D53 HydrophobicContact CE1-CB 4.43Å; Y35-I54 HydrophobicContact CD1-CG2 4.17Å; Y35-I54 HydrophobicContact CE1-CB 4.35Å; Y35-I54 HydrophobicContact CE1-CG2 3.59Å |
| 36 | R | 96.5 | Very high | 97.5 | Very high | 144 Ų | 144 | 47.3 Ų | 47.3 | 54% | 0.543 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -45.6 | -177.1 | -178.8 | 178 | -71.1 | -152.9 | -2.6 | 112.7 | K30 L32 | K30-R36 VanDerWaalsContact O-CA 3.3Å; K30-R36 WeakPolarHBondContact O-CA 3.4Å; L32-R36 PolarHBondContact O-N 3.49Å |
| 37 | N | 95.9 | Very high | 97.4 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 69% | 0.69 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 20.1 | 179.1 | -58.6 | -26.4 | 0 | 0 | 0 | 112.1 | E8 Y35 | E8-N37 WeakPolarHBondContact CG-O 3.38Å; E8-N37 VanDerWaalsContact OE1-O 3.05Å; Y35-N37 PolarHBondContact O-N 2.65Å |
| 38 | A | 97.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -67 | 138.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K9 I11 K30 Y35 | K9-A38 HydrophobicContact CB-CB 3.93Å; K9-A38 CarbonylContact O-C 3.48Å; K9-A38 WeakPolarHBondContact O-CA 3.48Å; K9-A38 WeakPolarHBondContact O-CB 3.45Å; I11-A38 HydrophobicContact CD1-CB 3.92Å; I11-A38 HydrophobicContact CG1-CB 3.88Å; K30-A38 PolarHBondContact NZ-O 3.39Å; Y35-A38 HydrophobicContact CD1-CB 4.29Å; Y35-A38 WeakPolarHBondContact O-CB 3.38Å; Y35-A38 PolarHBondContact O-N 2.71Å |
| 39 | T | 97.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.5 | 168.3 | -60.5 | 0 | 0 | 0 | 0 | 109.2 | E8 K9 R10 I11 V41 | E8-T39 VanDerWaalsContact CD-OG1 3.29Å; E8-T39 PolarHBondContact OE1-OG1 3.16Å; K9-T39 PolarHBondContact O-N 2.87Å; R10-T39 WeakPolarHBondContact CA-O 3.5Å; I11-T39 PolarHBondContact N-O 3.06Å; T39-V41 HydrophobicContact CG2-CG2 4.49Å |
| 40 | V | 97.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.2 | 171.2 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | I11 T13 V26 R42 F180 | I11-V40 CarbonylContact O-C 3.6Å; I11-V40 WeakPolarHBondContact O-CA 3.41Å; T13-V40 HydrophobicContact CG2-CG1 4.06Å; V26-V40 HydrophobicContact CG1-CG2 3.7Å; V26-V40 HydrophobicContact CG2-CG1 4.34Å; V40-R42 HydrophobicContact CG1-CG 4.15Å; V40-F180 HydrophobicContact CG1-CE1 3.99Å |
| 41 | V | 97.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | R10 I11 G12 T13 T39 I48 | R10-V41 HydrophobicContact CB-CG2 4.15Å; R10-V41 HydrophobicContact CG-CG2 4.35Å; I11-V41 PolarHBondContact O-N 2.92Å; G12-V41 CarbonylContact C-O 3.52Å; G12-V41 WeakPolarHBondContact CA-O 3.33Å; T13-V41 PolarHBondContact N-O 3.05Å; T39-V41 HydrophobicContact CG2-CG2 4.49Å; V41-I48 HydrophobicContact CG1-CG2 3.52Å |
| 42 | R | 96.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 105.7 | -179.7 | -61 | -176.8 | 68.1 | -150.9 | -1 | 110.4 | T13 H14 N15 G16 V40 S176 E177 | T13-R42 HydrophobicContact CG2-CG 3.86Å; T13-R42 CarbonylContact O-C 3.6Å; T13-R42 VanDerWaalsContact O-CA 3.28Å; T13-R42 WeakPolarHBondContact O-CA 3.22Å; H14-R42 PolarHBondContact O-NE 3.16Å; N15-R42 HydrophobicContact CB-CB 4.28Å; G16-R42 PolarHBondContact O-NH2 3.29Å; V40-R42 HydrophobicContact CG1-CG 4.15Å; R42-S176 PolarHBondContact NH1-O 3.47Å; R42-S176 PolarHBondContact NH1-OG 3.03Å; R42-E177 VanDerWaalsContact CD-OE2 3.25Å; R42-E177 WeakPolarHBondContact CD-OE2 3.46Å; R42-E177 IonicContact NH1-OE2 3.57Å |
| 43 | S | 96.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | trans | -156.6 | 160.1 | -178.3 | -171.4 | 0 | 0 | 0 | 0 | 112 | T13 D45 | T13-S43 PolarHBondContact O-N 2.93Å; S43-D45 WeakPolarHBondContact OG-CB 3.43Å; S43-D45 PolarHBondContact OG-N 2.94Å | ||
| 44 | R | 96.8 | Very high | 97.2 | Very high | 139 Ų | 139 | 57.9 Ų | 57.9 | 53% | 0.525 | 31% | 0.307 | S | S | . | . | trans | -111.6 | 1.7 | 164.6 | -76.4 | -177.2 | 176.2 | 79.3 | 2.3 | 112.9 | H14 N15 P46 V58 | H14-R44 HydrophobicContact CB-CG 4.21Å; H14-R44 PolarHBondContact ND1-NH2 2.86Å; N15-R44 PolarHBondContact O-NH1 3.13Å; N15-R44 PolarHBondContact OD1-NH1 2.79Å; R44-P46 WeakPolarHBondContact O-CD 3.49Å; R44-V58 HydrophobicContact CG-CG2 3.97Å | ||
| 45 | D | 97.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -71.6 | 117.7 | 177.4 | -175.2 | -29.1 | 0 | 0 | 0 | 109.8 | S43 D47 I48 L49 | S43-D45 WeakPolarHBondContact OG-CB 3.43Å; S43-D45 PolarHBondContact OG-N 2.94Å; D45-D47 PolarHBondContact O-N 2.51Å; D45-D47 WeakPolarHBondContact OD1-CB 3.25Å; D45-D47 PolarHBondContact OD1-N 2.9Å; D45-I48 HydrophobicContact CB-CB 4.06Å; D45-I48 HydrophobicContact CB-CD1 3.85Å; D45-I48 HydrophobicContact CB-CG1 3.89Å; D45-I48 PolarHBondContact O-N 3.41Å; D45-L49 VanDerWaalsContact O-CG 3.31Å; D45-L49 WeakPolarHBondContact O-CG 3.32Å; D45-L49 PolarHBondContact O-N 3.35Å | ||
| 46 | P | 96.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.4 | -35.5 | 179.7 | -24.9 | 35.3 | 0 | 0 | 0 | 113.7 | R44 L49 S50 | R44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-L49 PolarHBondContact O-N 3.21Å; P46-S50 VanDerWaalsContact O-CB 3.28Å; P46-S50 WeakPolarHBondContact O-CB 3.34Å; P46-S50 PolarHBondContact O-N 3.27Å |
| 47 | D | 97.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 47.4 Ų | 47.4 | 69% | 0.69 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.9 | -41.3 | -177.7 | -66.9 | -27.3 | 0 | 0 | 0 | 110.3 | D45 S50 A51 | D45-D47 PolarHBondContact O-N 2.51Å; D45-D47 WeakPolarHBondContact OD1-CB 3.25Å; D45-D47 PolarHBondContact OD1-N 2.9Å; D47-S50 PolarHBondContact O-N 2.89Å; D47-S50 PolarHBondContact O-OG 2.92Å; D47-A51 PolarHBondContact O-N 3.2Å |
| 48 | I | 97.8 | Very high | 97.6 | Very high | 66 Ų | 66 | 42 Ų | 42 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.7 | -44 | 174.3 | -63 | -179 | 0 | 0 | 0 | 111 | V41 D45 A51 C52 | V41-I48 HydrophobicContact CG1-CG2 3.52Å; D45-I48 HydrophobicContact CB-CB 4.06Å; D45-I48 HydrophobicContact CB-CD1 3.85Å; D45-I48 HydrophobicContact CB-CG1 3.89Å; D45-I48 PolarHBondContact O-N 3.41Å; I48-A51 PolarHBondContact O-N 3.34Å; I48-C52 PolarHBondContact O-SG 3.26Å |
| 49 | L | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.8 | -34.4 | -179.1 | -67.8 | 174.1 | 0 | 0 | 0 | 112.2 | D45 P46 A51 C52 V55 V58 | D45-L49 VanDerWaalsContact O-CG 3.31Å; D45-L49 WeakPolarHBondContact O-CG 3.32Å; D45-L49 PolarHBondContact O-N 3.35Å; P46-L49 PolarHBondContact O-N 3.21Å; L49-A51 PolarHBondContact O-N 3.47Å; L49-C52 WeakPolarHBondContact O-CB 3.34Å; L49-C52 PolarHBondContact O-N 3.44Å; L49-V55 HydrophobicContact CB-CG2 4.45Å; L49-V55 HydrophobicContact CD2-CG1 4.17Å; L49-V55 WeakPolarHBondContact O-CG2 3.23Å; L49-V58 HydrophobicContact CD1-CB 4.39Å; L49-V58 HydrophobicContact CD1-CG1 3.69Å; L49-V58 HydrophobicContact CD1-CG2 3.81Å; L49-V58 HydrophobicContact CD2-CG1 3.76Å; L49-V58 HydrophobicContact CG-CG1 4.38Å |
| 50 | S | 96.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 43.3 Ų | 43.3 | 57% | 0.573 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.8 | -31.5 | 177.3 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | P46 D47 C52 | P46-S50 VanDerWaalsContact O-CB 3.28Å; P46-S50 WeakPolarHBondContact O-CB 3.34Å; P46-S50 PolarHBondContact O-N 3.27Å; D47-S50 PolarHBondContact O-N 2.89Å; D47-S50 PolarHBondContact O-OG 2.92Å; S50-C52 VanDerWaalsContact C-N 3.29Å; S50-C52 PolarHBondContact O-N 3.14Å |
| 51 | A | 96.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R10 D47 I48 L49 | R10-A51 PolarHBondContact NH1-O 3.22Å; D47-A51 PolarHBondContact O-N 3.2Å; I48-A51 PolarHBondContact O-N 3.34Å; L49-A51 PolarHBondContact O-N 3.47Å |
| 52 | C | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -87.9 | 143.1 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | R10 I48 L49 S50 I54 V55 R68 | R10-C52 HydrophobicContact CB-CB 4.26Å; I48-C52 PolarHBondContact O-SG 3.26Å; L49-C52 WeakPolarHBondContact O-CB 3.34Å; L49-C52 PolarHBondContact O-N 3.44Å; S50-C52 VanDerWaalsContact C-N 3.29Å; S50-C52 PolarHBondContact O-N 3.14Å; C52-I54 VanDerWaalsContact C-N 3.32Å; C52-I54 PolarHBondContact O-N 2.8Å; C52-V55 HydrophobicContact CB-CG2 4Å; C52-R68 PolarHBondContact O-NH2 3.41Å; C52-R68 VanDerWaalsContact O-NH2 3.08Å |
| 53 | D | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 48.2 Ų | 48.2 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -67.6 | -35.4 | -179.7 | -63.3 | -92.5 | 0 | 0 | 0 | 112.1 | K9 R10 Y35 | K9-D53 VanDerWaalsContact CA-OD2 3.31Å; K9-D53 WeakPolarHBondContact CA-OD2 3.37Å; K9-D53 HydrophobicContact CD-CB 3.88Å; K9-D53 WeakPolarHBondContact CD-OD1 3.39Å; K9-D53 WeakPolarHBondContact CD-OD2 3.36Å; K9-D53 IonicContact NZ-OD1 3.81Å; K9-D53 PolarHBondContact NZ-OD1 3.45Å; R10-D53 PolarHBondContact N-OD2 2.9Å; R10-D53 PolarHBondContact O-N 3.01Å; Y35-D53 HydrophobicContact CE1-CB 4.43Å |
| 54 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 141.9 | 177.9 | -177.9 | 158.3 | 0 | 0 | 0 | 108.7 | R10 I11 G12 L29 Y35 C52 V56 L67 F69 F103 | R10-I54 PolarHBondContact O-N 3.08Å; I11-I54 CarbonylContact C-O 3.59Å; I11-I54 WeakPolarHBondContact CA-O 3.46Å; I11-I54 HydrophobicContact CB-CG2 4.19Å; I11-I54 HydrophobicContact CG1-CG2 3.79Å; I11-I54 HydrophobicContact CG2-CG2 4.19Å; G12-I54 PolarHBondContact N-O 3.12Å; L29-I54 HydrophobicContact CD1-CD1 3.62Å; L29-I54 HydrophobicContact CD1-CG1 4.05Å; L29-I54 HydrophobicContact CD1-CG2 4.05Å; L29-I54 HydrophobicContact CD2-CD1 3.54Å; L29-I54 HydrophobicContact CG-CD1 4.23Å; Y35-I54 HydrophobicContact CD1-CG2 4.17Å; Y35-I54 HydrophobicContact CE1-CB 4.35Å; Y35-I54 HydrophobicContact CE1-CG2 3.59Å; C52-I54 VanDerWaalsContact C-N 3.32Å; C52-I54 PolarHBondContact O-N 2.8Å; I54-V56 HydrophobicContact CG1-CG1 4.46Å; I54-L67 WeakPolarHBondContact CA-O 3.3Å; I54-L67 HydrophobicContact CB-CB 4.08Å; I54-L67 HydrophobicContact CD1-CB 4.25Å; I54-L67 HydrophobicContact CG1-CB 3.97Å; I54-F69 HydrophobicContact CD1-CD2 3.87Å; I54-F69 HydrophobicContact CD1-CE2 3.59Å; I54-F69 HydrophobicContact CG1-CD2 3.99Å; I54-F69 HydrophobicContact CG1-CE2 4.04Å; I54-F103 HydrophobicContact CD1-CE2 4.25Å; I54-F103 HydrophobicContact CD1-CZ 4.47Å |
| 55 | V | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.8 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | G12 L49 C52 V58 L67 F69 | G12-V55 CarbonylContact O-C 3.49Å; G12-V55 WeakPolarHBondContact O-CA 3.36Å; L49-V55 HydrophobicContact CB-CG2 4.45Å; L49-V55 HydrophobicContact CD2-CG1 4.17Å; L49-V55 WeakPolarHBondContact O-CG2 3.23Å; C52-V55 HydrophobicContact CB-CG2 4Å; V55-V58 HydrophobicContact CG1-CG1 3.35Å; V55-V58 WeakPolarHBondContact CG1-O 3.44Å; V55-L67 PolarHBondContact N-O 3.34Å; V55-F69 PolarHBondContact O-N 3.12Å |
| 56 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.9 | -176.8 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | I11 G12 T13 A25 V26 L29 I54 V58 F69 S95 V99 | I11-V56 HydrophobicContact CG2-CG2 4.14Å; G12-V56 PolarHBondContact O-N 3.43Å; T13-V56 WeakPolarHBondContact CA-O 3.33Å; T13-V56 WeakPolarHBondContact CB-O 3.29Å; T13-V56 PolarHBondContact OG1-O 2.95Å; A25-V56 HydrophobicContact CB-CB 3.95Å; A25-V56 HydrophobicContact CB-CG1 4.07Å; A25-V56 HydrophobicContact CB-CG2 4.1Å; V26-V56 HydrophobicContact CG2-CG2 4.16Å; L29-V56 HydrophobicContact CD1-CG1 3.86Å; I54-V56 HydrophobicContact CG1-CG1 4.46Å; V56-V58 PolarHBondContact O-N 3.43Å; V56-V58 VanDerWaalsContact O-N 3.14Å; V56-F69 HydrophobicContact CG1-CB 4.34Å; V56-S95 WeakPolarHBondContact CB-OG 3.28Å; V56-V99 HydrophobicContact CG1-CG2 3.78Å |
| 57 | D | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 59 | 23.7 | 173 | -158.7 | 35.4 | 0 | 0 | 0 | 115.6 | H14 E22 F69 D70 H71 H72 S95 | H14-D57 PolarHBondContact CD2-O 3.17Å; H14-D57 IonicContact CD2-OD2 3.29Å; H14-D57 PolarHBondContact CD2-OD2 2.73Å; H14-D57 VanDerWaalsContact CD2-OD2 3.29Å; H14-D57 IonicContact NE2-OD2 3.22Å; H14-D57 PolarHBondContact NE2-OD2 3.35Å; E22-D57 HydrophobicContact CB-CB 3.57Å; D57-F69 PolarHBondContact N-O 3.49Å; D57-D70 VanDerWaalsContact C-OD1 3.3Å; D57-H71 IonicContact OD1-CD2 2.75Å; D57-H71 IonicContact OD1-NE2 3.41Å; D57-H72 IonicContact OD1-CE1 3.59Å; D57-H72 PolarHBondContact OD1-CE1 3.46Å; D57-H72 IonicContact OD1-ND1 3.77Å; D57-S95 PolarHBondContact N-OG 3.28Å |
| 58 | V | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.085 | 27% | 0.273 | C | S | . | . | trans | -158.2 | 155.1 | 177 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | H14 R44 L49 V55 V56 D70 | H14-V58 HydrophobicContact CB-CB 4.04Å; H14-V58 HydrophobicContact CB-CG2 3.96Å; R44-V58 HydrophobicContact CG-CG2 3.97Å; L49-V58 HydrophobicContact CD1-CB 4.39Å; L49-V58 HydrophobicContact CD1-CG1 3.69Å; L49-V58 HydrophobicContact CD1-CG2 3.81Å; L49-V58 HydrophobicContact CD2-CG1 3.76Å; L49-V58 HydrophobicContact CG-CG1 4.38Å; V55-V58 HydrophobicContact CG1-CG1 3.35Å; V55-V58 WeakPolarHBondContact CG1-O 3.44Å; V56-V58 PolarHBondContact O-N 3.43Å; V56-V58 VanDerWaalsContact O-N 3.14Å; V58-D70 PolarHBondContact N-OD1 3.37Å | ||
| 59 | G | 97 | Very high | 97.9 | Very high | 55 Ų | 55 | 43 Ų | 43 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 102.8 | -7.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | V61 | G59-V61 VanDerWaalsContact C-N 3.3Å; G59-V61 PolarHBondContact O-N 2.84Å |
| 60 | G | 96.7 | Very high | 98 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 72.3 | 17.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D70 Q73 | G60-D70 WeakPolarHBondContact CA-OD2 3.31Å; G60-D70 PolarHBondContact N-OD2 2.8Å; G60-Q73 VanDerWaalsContact O-CG 3.23Å; G60-Q73 WeakPolarHBondContact O-CG 3.49Å; G60-Q73 PolarHBondContact O-NE2 3.32Å |
| 61 | V | 97.2 | Very high | 98 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | trans | -132.4 | 126.2 | -172.6 | -178 | 0 | 0 | 0 | 0 | 112.3 | G59 D63 R68 D70 Q73 | G59-V61 VanDerWaalsContact C-N 3.3Å; G59-V61 PolarHBondContact O-N 2.84Å; V61-D63 HydrophobicContact CG1-CB 4.08Å; V61-R68 HydrophobicContact CB-CB 4.16Å; V61-R68 HydrophobicContact CG1-CB 3.97Å; V61-R68 HydrophobicContact CG1-CG 4.37Å; V61-R68 CarbonylContact O-C 3.57Å; V61-R68 WeakPolarHBondContact O-CB 3.4Å; V61-D70 WeakPolarHBondContact O-CB 3.46Å; V61-D70 PolarHBondContact O-N 3.44Å; V61-D70 VanDerWaalsContact O-N 3.11Å; V61-Q73 VanDerWaalsContact N-NE2 3.16Å | ||
| 62 | Y | 98 | Very high | 98.1 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.4 | 164.1 | 172.1 | -125.6 | 0 | 0 | 0 | 108.6 | P64 R68 F69 D70 F76 L78 L98 H102 | Y62-P64 HydrophobicContact CD2-CG 4.41Å; Y62-P64 HydrophobicContact CE1-CG 4.44Å; Y62-P64 HydrophobicContact CE2-CG 3.54Å; Y62-P64 WeakPolarHBondContact OH-CG 3.42Å; Y62-R68 CarbonylContact C-O 3.58Å; Y62-R68 WeakPolarHBondContact CA-O 3.28Å; Y62-F69 HydrophobicContact CD2-CD1 4.19Å; Y62-F69 AromaticContact CE2-CD1 3.98Å; Y62-F69 HydrophobicContact CE2-CD1 3.98Å; Y62-F69 HydrophobicContact CE2-CE1 4.25Å; Y62-D70 WeakPolarHBondContact CB-O 3.27Å; Y62-F76 AromaticContact CD1-CE2 3.93Å; Y62-F76 HydrophobicContact CD1-CE2 3.93Å; Y62-F76 HydrophobicContact CG-CE2 4.06Å; Y62-L78 HydrophobicContact CE1-CD2 3.65Å; Y62-L98 HydrophobicContact CD2-CD1 3.73Å; Y62-L98 HydrophobicContact CD2-CD2 3.86Å; Y62-L98 HydrophobicContact CD2-CG 4.34Å; Y62-L98 HydrophobicContact CE1-CD2 4.31Å; Y62-L98 HydrophobicContact CE2-CD1 4.15Å; Y62-L98 HydrophobicContact CE2-CD2 3.44Å; Y62-L98 VanDerWaalsContact CE2-CD2 3.44Å; Y62-L98 HydrophobicContact CE2-CG 4.26Å; Y62-L98 HydrophobicContact CG-CD1 4.26Å; Y62-L98 HydrophobicContact CG-CD2 4.44Å; Y62-H102 AromaticContact CE2-NE2 3.91Å; Y62-H102 AromaticContact CZ-NE2 3.84Å; Y62-H102 PolarHBondContact OH-NE2 3.41Å |
| 63 | D | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 102.7 | 173.3 | 177.3 | 10.1 | 0 | 0 | 0 | 109.6 | V61 K65 T66 L67 R68 | V61-D63 HydrophobicContact CG1-CB 4.08Å; D63-K65 PolarHBondContact O-N 2.94Å; D63-K65 WeakPolarHBondContact OD1-CB 3.43Å; D63-K65 PolarHBondContact OD1-N 3.26Å; D63-T66 VanDerWaalsContact CB-OG1 3.32Å; D63-T66 WeakPolarHBondContact CB-OG1 3.32Å; D63-T66 CarbonylContact O-C 3.58Å; D63-T66 PolarHBondContact O-N 3.5Å; D63-T66 WeakPolarHBondContact OD2-CB 3.44Å; D63-T66 VanDerWaalsContact OD2-CG2 3.22Å; D63-T66 WeakPolarHBondContact OD2-CG2 3.31Å; D63-T66 PolarHBondContact OD2-OG1 3Å; D63-L67 PolarHBondContact O-N 2.92Å; D63-R68 CarbonylContact C-O 3.45Å; D63-R68 PolarHBondContact N-O 3.37Å; D63-R68 PolarHBondContact O-N 3.19Å |
| 64 | P | 97.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.5 | 177.2 | -24.9 | 34.6 | 0 | 0 | 0 | 113.9 | Y62 L67 F69 H102 | Y62-P64 HydrophobicContact CD2-CG 4.41Å; Y62-P64 HydrophobicContact CE1-CG 4.44Å; Y62-P64 HydrophobicContact CE2-CG 3.54Å; Y62-P64 WeakPolarHBondContact OH-CG 3.42Å; P64-L67 PolarHBondContact O-N 3.02Å; P64-F69 HydrophobicContact CB-CE1 4.24Å; P64-F69 HydrophobicContact CG-CE1 4.38Å; P64-H102 VanDerWaalsContact CB-CE1 3.47Å; P64-H102 WeakPolarHBondContact CB-CE1 3.42Å; P64-H102 WeakPolarHBondContact CG-CE1 2.96Å; P64-H102 VanDerWaalsContact CG-NE2 3.34Å; P64-H102 WeakPolarHBondContact CG-NE2 3.41Å |
| 65 | K | 97.8 | Very high | 97.6 | Very high | 195 Ų | 195 | 60 Ų | 60 | 85% | 0.848 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -35.3 | -179.4 | -63.4 | -179.9 | 179.1 | 177.1 | 0 | 111.7 | D63 | D63-K65 PolarHBondContact O-N 2.94Å; D63-K65 WeakPolarHBondContact OD1-CB 3.43Å; D63-K65 PolarHBondContact OD1-N 3.26Å |
| 66 | T | 97.7 | Very high | 97.5 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 10.3 | 176.5 | 59 | 0 | 0 | 0 | 0 | 112.7 | D63 R68 | D63-T66 VanDerWaalsContact CB-OG1 3.32Å; D63-T66 WeakPolarHBondContact CB-OG1 3.32Å; D63-T66 CarbonylContact O-C 3.58Å; D63-T66 PolarHBondContact O-N 3.5Å; D63-T66 WeakPolarHBondContact OD2-CB 3.44Å; D63-T66 VanDerWaalsContact OD2-CG2 3.22Å; D63-T66 WeakPolarHBondContact OD2-CG2 3.31Å; D63-T66 PolarHBondContact OD2-OG1 3Å; T66-R68 VanDerWaalsContact C-N 3.35Å; T66-R68 PolarHBondContact O-N 3.12Å; T66-R68 PolarHBondContact O-NH1 2.87Å |
| 67 | L | 98.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 48.9 | 177.7 | -56.5 | 176.8 | 0 | 0 | 0 | 112.1 | I54 V55 D63 P64 F69 F103 | I54-L67 WeakPolarHBondContact CA-O 3.3Å; I54-L67 HydrophobicContact CB-CB 4.08Å; I54-L67 HydrophobicContact CD1-CB 4.25Å; I54-L67 HydrophobicContact CG1-CB 3.97Å; V55-L67 PolarHBondContact N-O 3.34Å; D63-L67 PolarHBondContact O-N 2.92Å; P64-L67 PolarHBondContact O-N 3.02Å; L67-F69 HydrophobicContact CB-CE2 4.18Å; L67-F69 HydrophobicContact CD2-CE2 4.08Å; L67-F69 HydrophobicContact CD2-CZ 4.19Å; L67-F103 HydrophobicContact CD2-CZ 3.84Å |
| 68 | R | 98.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 65 Ų | 65 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.2 | 173.6 | -57 | -60.5 | 178.2 | -107.8 | 14.1 | 108.1 | C52 V61 Y62 D63 T66 | C52-R68 PolarHBondContact O-NH2 3.41Å; C52-R68 VanDerWaalsContact O-NH2 3.08Å; V61-R68 HydrophobicContact CB-CB 4.16Å; V61-R68 HydrophobicContact CG1-CB 3.97Å; V61-R68 HydrophobicContact CG1-CG 4.37Å; V61-R68 CarbonylContact O-C 3.57Å; V61-R68 WeakPolarHBondContact O-CB 3.4Å; Y62-R68 CarbonylContact C-O 3.58Å; Y62-R68 WeakPolarHBondContact CA-O 3.28Å; D63-R68 CarbonylContact C-O 3.45Å; D63-R68 PolarHBondContact N-O 3.37Å; D63-R68 PolarHBondContact O-N 3.19Å; T66-R68 VanDerWaalsContact C-N 3.35Å; T66-R68 PolarHBondContact O-N 3.12Å; T66-R68 PolarHBondContact O-NH1 2.87Å |
| 69 | F | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 69.6 | -174.1 | -60.2 | -74 | 0 | 0 | 0 | 109.2 | I54 V55 V56 D57 Y62 P64 L67 S95 L98 V99 H102 F103 | I54-F69 HydrophobicContact CD1-CD2 3.87Å; I54-F69 HydrophobicContact CD1-CE2 3.59Å; I54-F69 HydrophobicContact CG1-CD2 3.99Å; I54-F69 HydrophobicContact CG1-CE2 4.04Å; V55-F69 PolarHBondContact O-N 3.12Å; V56-F69 HydrophobicContact CG1-CB 4.34Å; D57-F69 PolarHBondContact N-O 3.49Å; Y62-F69 HydrophobicContact CD2-CD1 4.19Å; Y62-F69 AromaticContact CE2-CD1 3.98Å; Y62-F69 HydrophobicContact CE2-CD1 3.98Å; Y62-F69 HydrophobicContact CE2-CE1 4.25Å; P64-F69 HydrophobicContact CB-CE1 4.24Å; P64-F69 HydrophobicContact CG-CE1 4.38Å; L67-F69 HydrophobicContact CB-CE2 4.18Å; L67-F69 HydrophobicContact CD2-CE2 4.08Å; L67-F69 HydrophobicContact CD2-CZ 4.19Å; F69-S95 PolarHBondContact O-OG 2.86Å; F69-L98 HydrophobicContact CB-CB 4.17Å; F69-L98 HydrophobicContact CB-CD1 4.44Å; F69-L98 HydrophobicContact CD1-CB 3.98Å; F69-L98 HydrophobicContact CG-CB 4.49Å; F69-V99 HydrophobicContact CB-CG2 4.17Å; F69-V99 HydrophobicContact CD2-CG2 4.2Å; F69-V99 HydrophobicContact CG-CG2 4.14Å; F69-H102 HydrophobicContact CE1-CB 4.29Å; F69-H102 AromaticContact CE1-CD2 3.45Å; F69-H102 VanDerWaalsContact CE1-CD2 3.45Å; F69-H102 WeakPolarHBondContact CE1-CD2 3.46Å; F69-H102 AromaticContact CE1-CG 3.9Å; F69-H102 HydrophobicContact CZ-CB 4.45Å; F69-F103 HydrophobicContact CE1-CE2 4.48Å; F69-F103 AromaticContact CE2-CE2 3.68Å; F69-F103 HydrophobicContact CE2-CE2 3.68Å; F69-F103 HydrophobicContact CE2-CZ 4.34Å; F69-F103 AromaticContact CZ-CE2 3.56Å; F69-F103 HydrophobicContact CZ-CE2 3.56Å; F69-F103 HydrophobicContact CZ-CZ 4.22Å |
| 70 | D | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.011 | 31% | 0.31 | C | S | . | . | trans | -119.6 | 138.8 | 174.5 | -172.7 | 34.7 | 0 | 0 | 0 | 110.6 | D57 V58 G60 V61 Y62 H72 Q73 | D57-D70 VanDerWaalsContact C-OD1 3.3Å; V58-D70 PolarHBondContact N-OD1 3.37Å; G60-D70 WeakPolarHBondContact CA-OD2 3.31Å; G60-D70 PolarHBondContact N-OD2 2.8Å; V61-D70 WeakPolarHBondContact O-CB 3.46Å; V61-D70 PolarHBondContact O-N 3.44Å; V61-D70 VanDerWaalsContact O-N 3.11Å; Y62-D70 WeakPolarHBondContact CB-O 3.27Å; D70-H72 IonicContact OD1-CE1 3.71Å; D70-H72 IonicContact OD1-CG 3.18Å; D70-H72 IonicContact OD1-ND1 3.75Å; D70-H72 PolarHBondContact OD1-ND1 3.16Å; D70-H72 IonicContact OD2-ND1 2.96Å; D70-Q73 PolarHBondContact O-NE2 3.31Å; D70-Q73 PolarHBondContact O-OE1 2.86Å | ||
| 71 | H | 98.2 | Very high | 97.3 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | trans | -110.4 | 4.5 | -173.8 | 74.9 | 125.7 | 0 | 0 | 0 | 113.5 | D57 Q73 F76 L98 D140 N141 | D57-H71 IonicContact OD1-CD2 2.75Å; D57-H71 IonicContact OD1-NE2 3.41Å; H71-Q73 VanDerWaalsContact C-OE1 3.27Å; H71-Q73 PolarHBondContact O-N 2.76Å; H71-Q73 VanDerWaalsContact O-N 3.16Å; H71-F76 HydrophobicContact CB-CD1 3.76Å; H71-F76 HydrophobicContact CB-CD2 4.38Å; H71-F76 HydrophobicContact CB-CE1 3.65Å; H71-F76 HydrophobicContact CB-CE2 4.26Å; H71-F76 HydrophobicContact CB-CG 4.14Å; H71-F76 HydrophobicContact CB-CZ 3.89Å; H71-F76 WeakPolarHBondContact O-CB 3.46Å; H71-L98 HydrophobicContact CB-CD1 4.29Å; H71-D140 IonicContact CE1-OD2 3.74Å; H71-D140 PolarHBondContact CE1-OD2 2.85Å; H71-D140 IonicContact NE2-OD2 2.71Å; H71-D140 PolarHBondContact NE2-OD2 3.43Å; H71-N141 PolarHBondContact ND1-OD1 2.71Å | ||
| 72 | H | 96.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 63 Ų | 63 | 54% | 0.542 | 30% | 0.302 | S | S | . | . | trans | -75 | 3.8 | -174.5 | -71.2 | 102.3 | 0 | 0 | 0 | 115.4 | D57 D70 | D57-H72 IonicContact OD1-CE1 3.59Å; D57-H72 PolarHBondContact OD1-CE1 3.46Å; D57-H72 IonicContact OD1-ND1 3.77Å; D70-H72 IonicContact OD1-CE1 3.71Å; D70-H72 IonicContact OD1-CG 3.18Å; D70-H72 IonicContact OD1-ND1 3.75Å; D70-H72 PolarHBondContact OD1-ND1 3.16Å; D70-H72 IonicContact OD2-ND1 2.96Å | ||
| 73 | Q | 96.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 64 Ų | 64 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | trans | -67.8 | 141.6 | 177.3 | -50.1 | 79.9 | 2.5 | 0 | 0 | 110.5 | G60 V61 D70 H71 D75 F76 | G60-Q73 VanDerWaalsContact O-CG 3.23Å; G60-Q73 WeakPolarHBondContact O-CG 3.49Å; G60-Q73 PolarHBondContact O-NE2 3.32Å; V61-Q73 VanDerWaalsContact N-NE2 3.16Å; D70-Q73 PolarHBondContact O-NE2 3.31Å; D70-Q73 PolarHBondContact O-OE1 2.86Å; H71-Q73 VanDerWaalsContact C-OE1 3.27Å; H71-Q73 PolarHBondContact O-N 2.76Å; H71-Q73 VanDerWaalsContact O-N 3.16Å; Q73-D75 WeakPolarHBondContact CB-OD1 3.43Å; Q73-D75 PolarHBondContact O-N 2.83Å; Q73-D75 VanDerWaalsContact O-N 3.13Å; Q73-F76 HydrophobicContact CB-CB 4.12Å; Q73-F76 WeakPolarHBondContact O-CB 3.41Å; Q73-F76 PolarHBondContact O-N 3.35Å | ||
| 74 | R | 94.4 | Very high | 97 | Very high | 253 Ų | 253 | 65.3 Ų | 65.3 | 96% | 0.955 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.4 | -178.7 | -178.5 | 178.1 | 176.5 | -178 | -0.5 | 112.9 | ||
| 75 | D | 95.2 | Very high | 96.8 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.1 | -178.5 | 60.5 | -33.1 | 0 | 0 | 0 | 113.5 | Q73 S77 | Q73-D75 WeakPolarHBondContact CB-OD1 3.43Å; Q73-D75 PolarHBondContact O-N 2.83Å; Q73-D75 VanDerWaalsContact O-N 3.13Å; D75-S77 PolarHBondContact O-N 3.01Å; D75-S77 PolarHBondContact O-OG 3.5Å |
| 76 | F | 96.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | trans | -62.6 | 124.5 | 177.1 | -170.7 | -87.6 | 0 | 0 | 0 | 110.8 | Y62 H71 Q73 L78 K92 L93 L98 | Y62-F76 AromaticContact CD1-CE2 3.93Å; Y62-F76 HydrophobicContact CD1-CE2 3.93Å; Y62-F76 HydrophobicContact CG-CE2 4.06Å; H71-F76 HydrophobicContact CB-CD1 3.76Å; H71-F76 HydrophobicContact CB-CD2 4.38Å; H71-F76 HydrophobicContact CB-CE1 3.65Å; H71-F76 HydrophobicContact CB-CE2 4.26Å; H71-F76 HydrophobicContact CB-CG 4.14Å; H71-F76 HydrophobicContact CB-CZ 3.89Å; H71-F76 WeakPolarHBondContact O-CB 3.46Å; Q73-F76 HydrophobicContact CB-CB 4.12Å; Q73-F76 WeakPolarHBondContact O-CB 3.41Å; Q73-F76 PolarHBondContact O-N 3.35Å; F76-L78 HydrophobicContact CE1-CB 4.13Å; F76-L78 HydrophobicContact CE2-CB 4.04Å; F76-L78 HydrophobicContact CZ-CB 3.68Å; F76-K92 WeakPolarHBondContact O-CE 3.33Å; F76-K92 PolarHBondContact O-NZ 2.93Å; F76-L93 VanDerWaalsContact CE1-O 3.29Å; F76-L93 WeakPolarHBondContact CE1-O 3.5Å; F76-L98 HydrophobicContact CE2-CD1 4.14Å; F76-L98 HydrophobicContact CE2-CD2 4.29Å; F76-L98 HydrophobicContact CZ-CD1 4Å; F76-L98 HydrophobicContact CZ-CD2 3.92Å; F76-L98 HydrophobicContact CZ-CG 4.22Å | ||
| 77 | S | 96.4 | Very high | 96.1 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | trans | -145.3 | 8.3 | -176.3 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | D75 T79 Q82 | D75-S77 PolarHBondContact O-N 3.01Å; D75-S77 PolarHBondContact O-OG 3.5Å; S77-T79 PolarHBondContact O-N 3.32Å; S77-Q82 PolarHBondContact O-OE1 3.4Å | ||
| 78 | L | 97.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | trans | -62.6 | 123 | -175.5 | -173.5 | 65.8 | 0 | 0 | 0 | 110.9 | Y62 F76 Q82 Y83 L93 L98 | Y62-L78 HydrophobicContact CE1-CD2 3.65Å; F76-L78 HydrophobicContact CE1-CB 4.13Å; F76-L78 HydrophobicContact CE2-CB 4.04Å; F76-L78 HydrophobicContact CZ-CB 3.68Å; L78-Q82 HydrophobicContact CD1-CB 3.99Å; L78-Y83 HydrophobicContact CD2-CD2 4.09Å; L78-L93 HydrophobicContact CD2-CD1 4.1Å; L78-L93 HydrophobicContact CG-CD1 4.09Å; L78-L93 PolarHBondContact O-N 3.48Å; L78-L98 HydrophobicContact CD2-CD2 3.99Å | ||
| 79 | T | 97.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -111.1 | 165.3 | 172.4 | 70 | 0 | 0 | 0 | 0 | 111 | S77 S81 Q82 Y83 V91 | S77-T79 PolarHBondContact O-N 3.32Å; T79-S81 PolarHBondContact O-N 3.43Å; T79-S81 WeakPolarHBondContact OG1-CB 3.44Å; T79-S81 PolarHBondContact OG1-N 2.92Å; T79-Q82 PolarHBondContact O-N 3.49Å; T79-Q82 PolarHBondContact OG1-N 2.85Å; T79-Y83 PolarHBondContact O-N 3.05Å; T79-V91 WeakPolarHBondContact CA-O 3.33Å; T79-V91 VanDerWaalsContact CB-O 3.25Å; T79-V91 WeakPolarHBondContact CB-O 3.25Å; T79-V91 WeakPolarHBondContact CG2-O 3.39Å |
| 80 | W | 96.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -51.6 | -46.4 | 169.1 | -179.1 | -78.6 | 0 | 0 | 0 | 111.8 | Q82 Y83 F84 W89 Y100 V101 Y125 M126 Y129 | W80-Q82 VanDerWaalsContact C-N 3.29Å; W80-Q82 PolarHBondContact O-N 3.24Å; W80-Y83 PolarHBondContact O-N 3.34Å; W80-F84 AromaticContact CD1-CD2 3.82Å; W80-F84 AromaticContact CD2-CD2 3.59Å; W80-F84 HydrophobicContact CD2-CD2 3.59Å; W80-F84 AromaticContact CD2-CE2 3.62Å; W80-F84 HydrophobicContact CD2-CE2 3.62Å; W80-F84 AromaticContact CE2-CD2 3.28Å; W80-F84 AromaticContact CE2-CE2 3.44Å; W80-F84 VanDerWaalsContact CE2-CE2 3.44Å; W80-F84 HydrophobicContact CE3-CD2 4.17Å; W80-F84 AromaticContact CE3-CE2 3.71Å; W80-F84 HydrophobicContact CE3-CE2 3.71Å; W80-F84 AromaticContact CG-CD2 3.93Å; W80-F84 HydrophobicContact CG-CD2 3.93Å; W80-F84 HydrophobicContact CG-CE2 4.37Å; W80-F84 HydrophobicContact CH2-CD2 4.37Å; W80-F84 AromaticContact CH2-CE2 3.69Å; W80-F84 HydrophobicContact CH2-CE2 3.69Å; W80-F84 HydrophobicContact CH2-CZ 4.32Å; W80-F84 AromaticContact CZ2-CD2 3.69Å; W80-F84 HydrophobicContact CZ2-CD2 3.69Å; W80-F84 AromaticContact CZ2-CE2 3.45Å; W80-F84 HydrophobicContact CZ2-CE2 3.45Å; W80-F84 VanDerWaalsContact CZ2-CE2 3.45Å; W80-F84 HydrophobicContact CZ2-CZ 4.23Å; W80-F84 AromaticContact CZ3-CE2 3.76Å; W80-F84 HydrophobicContact CZ3-CE2 3.76Å; W80-F84 AromaticContact NE1-CD2 3.41Å; W80-F84 PolarHBondContact O-N 2.86Å; W80-W89 HydrophobicContact CB-CB 4.38Å; W80-W89 HydrophobicContact CB-CE3 4.35Å; W80-W89 AromaticContact CD1-CE3 3.47Å; W80-W89 VanDerWaalsContact CD1-CE3 3.47Å; W80-W89 AromaticContact CD1-CZ3 3.93Å; W80-W89 AromaticContact CD2-CE3 3.78Å; W80-W89 HydrophobicContact CD2-CE3 3.78Å; W80-W89 AromaticContact CD2-CZ3 3.92Å; W80-W89 HydrophobicContact CD2-CZ3 3.92Å; W80-W89 AromaticContact CE2-CE3 3.75Å; W80-W89 AromaticContact CE2-CZ3 3.47Å; W80-W89 VanDerWaalsContact CE2-CZ3 3.47Å; W80-W89 AromaticContact CG-CE3 3.62Å; W80-W89 HydrophobicContact CG-CE3 3.62Å; W80-W89 HydrophobicContact CG-CZ3 4.2Å; W80-W89 HydrophobicContact CH2-CZ3 4.43Å; W80-W89 HydrophobicContact CZ2-CE3 4.5Å; W80-W89 AromaticContact CZ2-CZ3 3.8Å; W80-W89 HydrophobicContact CZ2-CZ3 3.8Å; W80-W89 AromaticContact NE1-CE3 3.57Å; W80-W89 AromaticContact NE1-CZ3 3.5Å; W80-Y100 HydrophobicContact CZ3-CD1 4.2Å; W80-Y100 HydrophobicContact CZ3-CE1 4.27Å; W80-V101 HydrophobicContact CE3-CG1 3.83Å; W80-V101 HydrophobicContact CZ3-CG1 3.98Å; W80-Y125 HydrophobicContact CH2-CD1 4.05Å; W80-Y125 AromaticContact CH2-CE1 3.26Å; W80-Y125 HydrophobicContact CH2-CE1 3.26Å; W80-Y125 HydrophobicContact CH2-CE2 4.48Å; W80-Y125 AromaticContact CH2-CZ 3.49Å; W80-Y125 VanDerWaalsContact CH2-CZ 3.49Å; W80-Y125 WeakPolarHBondContact CH2-OH 3.3Å; W80-Y125 AromaticContact CZ2-CE1 3.8Å; W80-Y125 HydrophobicContact CZ2-CE1 3.8Å; W80-Y125 HydrophobicContact CZ3-CE1 4.22Å; W80-M126 HydrophobicContact CH2-SD 4.22Å; W80-M126 HydrophobicContact CZ2-CE 4.03Å; W80-M126 HydrophobicContact CZ2-SD 3.45Å; W80-M126 WeakPolarHBondContact CZ2-SD 3.49Å; W80-Y129 HydrophobicContact CB-CE1 3.87Å; W80-Y129 AromaticContact CD2-CD1 3.8Å; W80-Y129 HydrophobicContact CD2-CD1 3.8Å; W80-Y129 HydrophobicContact CD2-CD2 4.42Å; W80-Y129 AromaticContact CD2-CE1 3.72Å; W80-Y129 HydrophobicContact CD2-CE1 3.72Å; W80-Y129 HydrophobicContact CD2-CE2 4.4Å; W80-Y129 HydrophobicContact CD2-CG 4.14Å; W80-Y129 AromaticContact CE3-CD1 3.46Å; W80-Y129 HydrophobicContact CE3-CD1 3.46Å; W80-Y129 VanDerWaalsContact CE3-CD1 3.46Å; W80-Y129 AromaticContact CE3-CD2 3.31Å; W80-Y129 HydrophobicContact CE3-CD2 3.31Å; W80-Y129 AromaticContact CE3-CE1 3.49Å; W80-Y129 HydrophobicContact CE3-CE1 3.49Å; W80-Y129 VanDerWaalsContact CE3-CE1 3.49Å; W80-Y129 AromaticContact CE3-CE2 3.39Å; W80-Y129 HydrophobicContact CE3-CE2 3.39Å; W80-Y129 AromaticContact CE3-CG 3.36Å; W80-Y129 HydrophobicContact CE3-CG 3.36Å; W80-Y129 AromaticContact CE3-CZ 3.47Å; W80-Y129 VanDerWaalsContact CE3-CZ 3.47Å; W80-Y129 HydrophobicContact CG-CD1 4.39Å; W80-Y129 AromaticContact CG-CE1 3.92Å; W80-Y129 HydrophobicContact CG-CE1 3.92Å; W80-Y129 HydrophobicContact CH2-CD1 4.26Å; W80-Y129 HydrophobicContact CH2-CD2 4.24Å; W80-Y129 AromaticContact CH2-CG 3.81Å; W80-Y129 HydrophobicContact CH2-CG 3.81Å; W80-Y129 AromaticContact CZ3-CD1 3.7Å; W80-Y129 HydrophobicContact CZ3-CD1 3.7Å; W80-Y129 AromaticContact CZ3-CD2 3.19Å; W80-Y129 HydrophobicContact CZ3-CD2 3.19Å; W80-Y129 HydrophobicContact CZ3-CE1 4.19Å; W80-Y129 AromaticContact CZ3-CE2 3.78Å; W80-Y129 HydrophobicContact CZ3-CE2 3.78Å; W80-Y129 AromaticContact CZ3-CG 3.15Å; W80-Y129 HydrophobicContact CZ3-CG 3.15Å |
| 81 | S | 95.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 76 Ų | 76 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.8 | -45.7 | 179.2 | -130.8 | 0 | 0 | 0 | 0 | 111.9 | T79 G85 V86 M88 | T79-S81 PolarHBondContact O-N 3.43Å; T79-S81 WeakPolarHBondContact OG1-CB 3.44Å; T79-S81 PolarHBondContact OG1-N 2.92Å; S81-G85 WeakPolarHBondContact O-CA 3.49Å; S81-G85 PolarHBondContact O-N 2.85Å; S81-V86 CarbonylContact C-O 3.58Å; S81-V86 WeakPolarHBondContact CA-O 3.33Å; S81-V86 WeakPolarHBondContact CB-O 3.15Å; S81-V86 PolarHBondContact O-N 3.05Å; S81-V86 PolarHBondContact OG-O 3.01Å; S81-M88 WeakPolarHBondContact CA-O 3.29Å; S81-M88 WeakPolarHBondContact CB-O 3.35Å; S81-M88 PolarHBondContact N-O 3.44Å; S81-M88 PolarHBondContact OG-N 3.14Å; S81-M88 PolarHBondContact OG-O 3.49Å |
| 82 | Q | 96.2 | Very high | 94.7 | Very high | 108 Ų | 108 | 79 Ų | 79 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.3 | -41.7 | 178.9 | -71 | 171.7 | -22.5 | 0 | 0 | 112.5 | S77 L78 T79 W80 F84 | S77-Q82 PolarHBondContact O-OE1 3.4Å; L78-Q82 HydrophobicContact CD1-CB 3.99Å; T79-Q82 PolarHBondContact O-N 3.49Å; T79-Q82 PolarHBondContact OG1-N 2.85Å; W80-Q82 VanDerWaalsContact C-N 3.29Å; W80-Q82 PolarHBondContact O-N 3.24Å; Q82-F84 PolarHBondContact O-N 3.42Å |
| 83 | Y | 96.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -178.5 | -173.5 | -94 | 0 | 0 | 0 | 112.4 | L78 T79 W80 V101 H102 | L78-Y83 HydrophobicContact CD2-CD2 4.09Å; T79-Y83 PolarHBondContact O-N 3.05Å; W80-Y83 PolarHBondContact O-N 3.34Å; Y83-V101 HydrophobicContact CD1-CB 4Å; Y83-V101 HydrophobicContact CD1-CG1 4.43Å; Y83-V101 HydrophobicContact CD1-CG2 4.33Å; Y83-V101 HydrophobicContact CD2-CG2 4.31Å; Y83-V101 HydrophobicContact CE1-CB 3.86Å; Y83-V101 HydrophobicContact CE1-CG2 4.17Å; Y83-V101 HydrophobicContact CE2-CG2 4.15Å; Y83-V101 HydrophobicContact CG-CB 4.47Å; Y83-V101 HydrophobicContact CG-CG2 4.39Å; Y83-H102 AromaticContact CE2-CE1 3.74Å; Y83-H102 AromaticContact CE2-NE2 3.75Å; Y83-H102 AromaticContact CZ-CE1 3.81Å; Y83-H102 PolarHBondContact OH-CE1 3.04Å; Y83-H102 PolarHBondContact OH-ND1 3.01Å |
| 84 | F | 95 | Very high | 94.8 | Very high | 75 Ų | 75 | 71.5 Ų | 71.5 | 33% | 0.329 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -95.3 | -3.7 | -178.4 | -69.3 | -70.3 | 0 | 0 | 0 | 114.6 | W80 Q82 V86 V101 Y125 | W80-F84 AromaticContact CD1-CD2 3.82Å; W80-F84 AromaticContact CD2-CD2 3.59Å; W80-F84 HydrophobicContact CD2-CD2 3.59Å; W80-F84 AromaticContact CD2-CE2 3.62Å; W80-F84 HydrophobicContact CD2-CE2 3.62Å; W80-F84 AromaticContact CE2-CD2 3.28Å; W80-F84 AromaticContact CE2-CE2 3.44Å; W80-F84 VanDerWaalsContact CE2-CE2 3.44Å; W80-F84 HydrophobicContact CE3-CD2 4.17Å; W80-F84 AromaticContact CE3-CE2 3.71Å; W80-F84 HydrophobicContact CE3-CE2 3.71Å; W80-F84 AromaticContact CG-CD2 3.93Å; W80-F84 HydrophobicContact CG-CD2 3.93Å; W80-F84 HydrophobicContact CG-CE2 4.37Å; W80-F84 HydrophobicContact CH2-CD2 4.37Å; W80-F84 AromaticContact CH2-CE2 3.69Å; W80-F84 HydrophobicContact CH2-CE2 3.69Å; W80-F84 HydrophobicContact CH2-CZ 4.32Å; W80-F84 AromaticContact CZ2-CD2 3.69Å; W80-F84 HydrophobicContact CZ2-CD2 3.69Å; W80-F84 AromaticContact CZ2-CE2 3.45Å; W80-F84 HydrophobicContact CZ2-CE2 3.45Å; W80-F84 VanDerWaalsContact CZ2-CE2 3.45Å; W80-F84 HydrophobicContact CZ2-CZ 4.23Å; W80-F84 AromaticContact CZ3-CE2 3.76Å; W80-F84 HydrophobicContact CZ3-CE2 3.76Å; W80-F84 AromaticContact NE1-CD2 3.41Å; W80-F84 PolarHBondContact O-N 2.86Å; Q82-F84 PolarHBondContact O-N 3.42Å; F84-V86 VanDerWaalsContact C-N 3.3Å; F84-V86 HydrophobicContact CB-CG1 4.19Å; F84-V86 HydrophobicContact CB-CG2 4.08Å; F84-V86 PolarHBondContact O-N 3.5Å; F84-V101 HydrophobicContact CE2-CB 4.29Å; F84-V101 HydrophobicContact CE2-CG1 3.89Å; F84-V101 HydrophobicContact CZ-CB 4.3Å; F84-V101 HydrophobicContact CZ-CG1 4.37Å; F84-Y125 HydrophobicContact CZ-CE1 4.08Å; F84-Y125 VanDerWaalsContact CZ-OH 3.27Å; F84-Y125 WeakPolarHBondContact CZ-OH 3.48Å |
| 85 | G | 94.2 | Very high | 95 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 33.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S81 | S81-G85 WeakPolarHBondContact O-CA 3.49Å; S81-G85 PolarHBondContact O-N 2.85Å |
| 86 | V | 90.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -112.9 | 168.3 | -179.5 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | S81 F84 M88 | S81-V86 CarbonylContact C-O 3.58Å; S81-V86 WeakPolarHBondContact CA-O 3.33Å; S81-V86 WeakPolarHBondContact CB-O 3.15Å; S81-V86 PolarHBondContact O-N 3.05Å; S81-V86 PolarHBondContact OG-O 3.01Å; F84-V86 VanDerWaalsContact C-N 3.3Å; F84-V86 HydrophobicContact CB-CG1 4.19Å; F84-V86 HydrophobicContact CB-CG2 4.08Å; F84-V86 PolarHBondContact O-N 3.5Å; V86-M88 HydrophobicContact CG2-CB 4.09Å |
| 87 | K | 89.7 | Confident | 95.3 | Very high | 209 Ų | 209 | 52.3 Ų | 52.3 | 91% | 0.909 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -103.9 | 61.7 | 173.9 | -67.7 | -176.6 | 178.6 | 178.5 | 0 | 110.7 | ||
| 88 | M | 88.2 | Confident | 95.4 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 42% | 0.419 | 25% | 0.254 | S | S | . | . | trans | -143.8 | 139.2 | -176.9 | -65.2 | -175.5 | 68 | 0 | 0 | 111.2 | S81 V86 M126 | S81-M88 WeakPolarHBondContact CA-O 3.29Å; S81-M88 WeakPolarHBondContact CB-O 3.35Å; S81-M88 PolarHBondContact N-O 3.44Å; S81-M88 PolarHBondContact OG-N 3.14Å; S81-M88 PolarHBondContact OG-O 3.49Å; V86-M88 HydrophobicContact CG2-CB 4.09Å; M88-M126 HydrophobicContact CE-CE 4.34Å; M88-M126 HydrophobicContact SD-CE 4.29Å | ||
| 89 | W | 91.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | trans | 51.6 | 82.4 | 174.8 | -48.1 | -55 | 0 | 0 | 0 | 113.9 | W80 V91 M126 Y129 E130 L134 | W80-W89 HydrophobicContact CB-CB 4.38Å; W80-W89 HydrophobicContact CB-CE3 4.35Å; W80-W89 AromaticContact CD1-CE3 3.47Å; W80-W89 VanDerWaalsContact CD1-CE3 3.47Å; W80-W89 AromaticContact CD1-CZ3 3.93Å; W80-W89 AromaticContact CD2-CE3 3.78Å; W80-W89 HydrophobicContact CD2-CE3 3.78Å; W80-W89 AromaticContact CD2-CZ3 3.92Å; W80-W89 HydrophobicContact CD2-CZ3 3.92Å; W80-W89 AromaticContact CE2-CE3 3.75Å; W80-W89 AromaticContact CE2-CZ3 3.47Å; W80-W89 VanDerWaalsContact CE2-CZ3 3.47Å; W80-W89 AromaticContact CG-CE3 3.62Å; W80-W89 HydrophobicContact CG-CE3 3.62Å; W80-W89 HydrophobicContact CG-CZ3 4.2Å; W80-W89 HydrophobicContact CH2-CZ3 4.43Å; W80-W89 HydrophobicContact CZ2-CE3 4.5Å; W80-W89 AromaticContact CZ2-CZ3 3.8Å; W80-W89 HydrophobicContact CZ2-CZ3 3.8Å; W80-W89 AromaticContact NE1-CE3 3.57Å; W80-W89 AromaticContact NE1-CZ3 3.5Å; W89-V91 PolarHBondContact O-N 3.16Å; W89-M126 HydrophobicContact CH2-CB 4.44Å; W89-M126 HydrophobicContact CH2-CE 3.51Å; W89-M126 HydrophobicContact CH2-SD 4.48Å; W89-M126 HydrophobicContact CZ3-CE 3.51Å; W89-M126 HydrophobicContact CZ3-SD 4.38Å; W89-Y129 HydrophobicContact CB-CE1 4.07Å; W89-Y129 AromaticContact CD2-CD1 3.85Å; W89-Y129 HydrophobicContact CD2-CD1 3.85Å; W89-Y129 AromaticContact CD2-CE1 3.84Å; W89-Y129 HydrophobicContact CD2-CE1 3.84Å; W89-Y129 AromaticContact CE3-CD1 3.31Å; W89-Y129 HydrophobicContact CE3-CD1 3.31Å; W89-Y129 AromaticContact CE3-CE1 3.46Å; W89-Y129 HydrophobicContact CE3-CE1 3.46Å; W89-Y129 VanDerWaalsContact CE3-CE1 3.46Å; W89-Y129 HydrophobicContact CG-CE1 4.12Å; W89-Y129 HydrophobicContact CH2-CD1 4.14Å; W89-Y129 AromaticContact CZ3-CD1 3.46Å; W89-Y129 HydrophobicContact CZ3-CD1 3.46Å; W89-Y129 VanDerWaalsContact CZ3-CD1 3.46Å; W89-Y129 HydrophobicContact CZ3-CE1 4.1Å; W89-Y129 HydrophobicContact CZ3-CG 4.37Å; W89-E130 HydrophobicContact CH2-CB 4.14Å; W89-E130 HydrophobicContact CZ2-CB 3.54Å; W89-E130 HydrophobicContact CZ2-CG 3.78Å; W89-L134 HydrophobicContact CB-CD1 4.06Å; W89-L134 HydrophobicContact CB-CD2 4.31Å; W89-L134 VanDerWaalsContact CD1-CD2 3.42Å; W89-L134 HydrophobicContact CG-CD1 4.46Å; W89-L134 HydrophobicContact CG-CD2 3.89Å | ||
| 90 | D | 91.3 | Very high | 95.5 | Very high | 137 Ų | 137 | 47.5 Ų | 47.5 | 73% | 0.733 | 25% | 0.245 | S | C | * | . | trans | -85.1 | 62.6 | 175.7 | -166.8 | 29.2 | 0 | 0 | 0 | 111 | ||||
| 91 | V | 95.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 48 Ų | 48 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | trans | -125.5 | 134.6 | 175.8 | 178 | 0 | 0 | 0 | 0 | 107.2 | T79 W89 L134 D137 I143 | T79-V91 WeakPolarHBondContact CA-O 3.33Å; T79-V91 VanDerWaalsContact CB-O 3.25Å; T79-V91 WeakPolarHBondContact CB-O 3.25Å; T79-V91 WeakPolarHBondContact CG2-O 3.39Å; W89-V91 PolarHBondContact O-N 3.16Å; V91-L134 HydrophobicContact CB-CD1 3.67Å; V91-L134 HydrophobicContact CG1-CD1 4.14Å; V91-L134 HydrophobicContact CG2-CD1 3.76Å; V91-D137 HydrophobicContact CG1-CB 4.04Å; V91-I143 HydrophobicContact CG1-CG1 4.27Å | ||
| 92 | K | 97 | Very high | 95.8 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -61.3 | 138.5 | 176.5 | -68.7 | -170.8 | -176.9 | -167.3 | 0 | 109.6 | F76 D137 N141 | F76-K92 WeakPolarHBondContact O-CE 3.33Å; F76-K92 PolarHBondContact O-NZ 2.93Å; K92-D137 WeakPolarHBondContact O-CB 3.26Å; K92-N141 HydrophobicContact CB-CB 4.2Å; K92-N141 WeakPolarHBondContact CB-OD1 3.33Å; K92-N141 PolarHBondContact O-ND2 3.17Å |
| 93 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -69.6 | 136.5 | 172.9 | -61.6 | 175.2 | 0 | 0 | 0 | 109.4 | F76 L78 L98 V101 Y129 D137 N141 | F76-L93 VanDerWaalsContact CE1-O 3.29Å; F76-L93 WeakPolarHBondContact CE1-O 3.5Å; L78-L93 HydrophobicContact CD2-CD1 4.1Å; L78-L93 HydrophobicContact CG-CD1 4.09Å; L78-L93 PolarHBondContact O-N 3.48Å; L93-L98 HydrophobicContact CB-CD2 4.15Å; L93-L98 HydrophobicContact CB-CG 4.17Å; L93-L98 HydrophobicContact CD1-CD2 3.99Å; L93-V101 HydrophobicContact CD1-CG1 4.05Å; L93-V101 HydrophobicContact CD1-CG2 4.08Å; L93-V101 HydrophobicContact CD2-CG1 4.32Å; L93-Y129 HydrophobicContact CD2-CE2 4.05Å; L93-Y129 WeakPolarHBondContact CD2-OH 3.39Å; L93-D137 WeakPolarHBondContact CD2-OD2 3.37Å; L93-N141 PolarHBondContact O-ND2 3.17Å | ||
| 94 | S | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -87.3 | -175 | 163.4 | 70.4 | 0 | 0 | 0 | 0 | 109.9 | D21 A96 G97 L98 D137 N141 | D21-S94 VanDerWaalsContact CG-OG 3.25Å; D21-S94 WeakPolarHBondContact OD1-CB 3.4Å; D21-S94 PolarHBondContact OD1-OG 2.63Å; D21-S94 WeakPolarHBondContact OD2-CB 3.3Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 3.43Å; S94-G97 PolarHBondContact O-N 3.45Å; S94-L98 WeakPolarHBondContact O-CB 3.19Å; S94-L98 WeakPolarHBondContact O-CG 3.49Å; S94-L98 PolarHBondContact O-N 2.72Å; S94-D137 PolarHBondContact N-OD1 3.23Å; S94-D137 PolarHBondContact OG-OD1 2.61Å; S94-N141 PolarHBondContact N-ND2 3.34Å | ||
| 95 | S | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 176 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | D21 V56 D57 F69 L98 V99 | D21-S95 PolarHBondContact OD1-N 2.75Å; D21-S95 WeakPolarHBondContact OD2-CA 3.48Å; D21-S95 WeakPolarHBondContact OD2-CB 3.37Å; D21-S95 PolarHBondContact OD2-N 2.89Å; V56-S95 WeakPolarHBondContact CB-OG 3.28Å; D57-S95 PolarHBondContact N-OG 3.28Å; F69-S95 PolarHBondContact O-OG 2.86Å; S95-L98 WeakPolarHBondContact O-CB 3.49Å; S95-L98 PolarHBondContact O-N 3.13Å; S95-V99 WeakPolarHBondContact O-CG2 3.44Å; S95-V99 PolarHBondContact O-N 3.49Å |
| 96 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D21 L24 S94 L98 V99 Y100 I136 | D21-A96 WeakPolarHBondContact OD1-CA 3.34Å; D21-A96 WeakPolarHBondContact OD1-CB 3.5Å; D21-A96 PolarHBondContact OD1-N 3.01Å; L24-A96 HydrophobicContact CB-CB 3.96Å; L24-A96 HydrophobicContact CD2-CB 3.74Å; L24-A96 HydrophobicContact CG-CB 3.89Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 3.43Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.81Å; A96-V99 PolarHBondContact O-N 2.9Å; A96-Y100 VanDerWaalsContact O-CB 3.23Å; A96-Y100 WeakPolarHBondContact O-CB 3.44Å; A96-Y100 PolarHBondContact O-N 3.41Å; A96-I136 HydrophobicContact CB-CG2 4.37Å |
| 97 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S94 Y100 V101 D137 | S94-G97 PolarHBondContact O-N 3.45Å; G97-Y100 PolarHBondContact O-N 2.86Å; G97-V101 WeakPolarHBondContact O-CG1 3.31Å; G97-V101 PolarHBondContact O-N 2.95Å; G97-D137 WeakPolarHBondContact CA-OD1 3.21Å; G97-D137 PolarHBondContact N-OD1 2.93Å |
| 98 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -51 | 175.4 | -73.3 | 176.9 | 0 | 0 | 0 | 111.7 | Y62 F69 H71 F76 L78 L93 S94 S95 A96 Y100 V101 H102 | Y62-L98 HydrophobicContact CD2-CD1 3.73Å; Y62-L98 HydrophobicContact CD2-CD2 3.86Å; Y62-L98 HydrophobicContact CD2-CG 4.34Å; Y62-L98 HydrophobicContact CE1-CD2 4.31Å; Y62-L98 HydrophobicContact CE2-CD1 4.15Å; Y62-L98 HydrophobicContact CE2-CD2 3.44Å; Y62-L98 VanDerWaalsContact CE2-CD2 3.44Å; Y62-L98 HydrophobicContact CE2-CG 4.26Å; Y62-L98 HydrophobicContact CG-CD1 4.26Å; Y62-L98 HydrophobicContact CG-CD2 4.44Å; F69-L98 HydrophobicContact CB-CB 4.17Å; F69-L98 HydrophobicContact CB-CD1 4.44Å; F69-L98 HydrophobicContact CD1-CB 3.98Å; F69-L98 HydrophobicContact CG-CB 4.49Å; H71-L98 HydrophobicContact CB-CD1 4.29Å; F76-L98 HydrophobicContact CE2-CD1 4.14Å; F76-L98 HydrophobicContact CE2-CD2 4.29Å; F76-L98 HydrophobicContact CZ-CD1 4Å; F76-L98 HydrophobicContact CZ-CD2 3.92Å; F76-L98 HydrophobicContact CZ-CG 4.22Å; L78-L98 HydrophobicContact CD2-CD2 3.99Å; L93-L98 HydrophobicContact CB-CD2 4.15Å; L93-L98 HydrophobicContact CB-CG 4.17Å; L93-L98 HydrophobicContact CD1-CD2 3.99Å; S94-L98 WeakPolarHBondContact O-CB 3.19Å; S94-L98 WeakPolarHBondContact O-CG 3.49Å; S94-L98 PolarHBondContact O-N 2.72Å; S95-L98 WeakPolarHBondContact O-CB 3.49Å; S95-L98 PolarHBondContact O-N 3.13Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.81Å; L98-Y100 PolarHBondContact O-N 3.43Å; L98-V101 VanDerWaalsContact O-CG2 3.23Å; L98-V101 WeakPolarHBondContact O-CG2 3.36Å; L98-V101 PolarHBondContact O-N 3.5Å; L98-H102 PolarHBondContact O-CD2 3.4Å; L98-H102 PolarHBondContact O-N 2.87Å |
| 99 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 175.5 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | A25 L28 L29 V56 F69 S95 A96 H102 F103 | A25-V99 HydrophobicContact CB-CB 4.49Å; A25-V99 HydrophobicContact CB-CG2 4.03Å; L28-V99 HydrophobicContact CB-CG1 3.83Å; L28-V99 HydrophobicContact CD1-CB 4.48Å; L28-V99 HydrophobicContact CD1-CG1 4.03Å; L29-V99 HydrophobicContact CD2-CG1 3.98Å; L29-V99 HydrophobicContact CG-CG1 3.97Å; V56-V99 HydrophobicContact CG1-CG2 3.78Å; F69-V99 HydrophobicContact CB-CG2 4.17Å; F69-V99 HydrophobicContact CD2-CG2 4.2Å; F69-V99 HydrophobicContact CG-CG2 4.14Å; S95-V99 WeakPolarHBondContact O-CG2 3.44Å; S95-V99 PolarHBondContact O-N 3.49Å; A96-V99 PolarHBondContact O-N 2.9Å; V99-H102 PolarHBondContact O-N 2.87Å; V99-F103 HydrophobicContact CG1-CD2 4.12Å; V99-F103 WeakPolarHBondContact O-CB 3.45Å; V99-F103 WeakPolarHBondContact O-CD2 3.43Å; V99-F103 PolarHBondContact O-N 3.49Å |
| 100 | Y | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | -179.1 | -168.9 | -96.6 | 0 | 0 | 0 | 112.9 | L28 W80 A96 G97 L98 H102 G104 L108 Y125 I128 Y129 I133 | L28-Y100 HydrophobicContact CD1-CD2 4.1Å; L28-Y100 HydrophobicContact CD2-CD2 4.19Å; W80-Y100 HydrophobicContact CZ3-CD1 4.2Å; W80-Y100 HydrophobicContact CZ3-CE1 4.27Å; A96-Y100 VanDerWaalsContact O-CB 3.23Å; A96-Y100 WeakPolarHBondContact O-CB 3.44Å; A96-Y100 PolarHBondContact O-N 3.41Å; G97-Y100 PolarHBondContact O-N 2.86Å; L98-Y100 PolarHBondContact O-N 3.43Å; Y100-H102 PolarHBondContact O-N 3.14Å; Y100-G104 WeakPolarHBondContact O-CA 3.45Å; Y100-G104 PolarHBondContact O-N 3.21Å; Y100-L108 WeakPolarHBondContact OH-CD1 3.46Å; Y100-Y125 AromaticContact CD1-CE2 3.8Å; Y100-Y125 HydrophobicContact CD1-CE2 3.8Å; Y100-Y125 AromaticContact CE1-CD2 3.6Å; Y100-Y125 HydrophobicContact CE1-CD2 3.6Å; Y100-Y125 AromaticContact CE1-CE2 3.2Å; Y100-Y125 HydrophobicContact CE1-CE2 3.2Å; Y100-Y125 HydrophobicContact CE1-CG 4.48Å; Y100-Y125 AromaticContact CE1-CZ 3.82Å; Y100-Y125 AromaticContact CZ-CD2 3.62Å; Y100-Y125 AromaticContact CZ-CE2 3.66Å; Y100-Y125 VanDerWaalsContact OH-CD2 3.29Å; Y100-Y125 WeakPolarHBondContact OH-CD2 3.38Å; Y100-Y125 PolarHBondContact OH-O 3.34Å; Y100-Y125 VanDerWaalsContact OH-O 3.05Å; Y100-I128 HydrophobicContact CE2-CG2 3.72Å; Y100-I128 VanDerWaalsContact OH-CB 3.3Å; Y100-I128 WeakPolarHBondContact OH-CB 3.37Å; Y100-I128 VanDerWaalsContact OH-CG2 3.27Å; Y100-I128 WeakPolarHBondContact OH-CG2 3.49Å; Y100-Y129 AromaticContact CD1-CD2 3.94Å; Y100-Y129 HydrophobicContact CD1-CD2 3.94Å; Y100-Y129 HydrophobicContact CE1-CD2 4.28Å; Y100-I133 HydrophobicContact CD1-CG1 3.99Å; Y100-I133 HydrophobicContact CD2-CD1 3.7Å; Y100-I133 HydrophobicContact CD2-CG1 3.84Å; Y100-I133 HydrophobicContact CE1-CG1 4.22Å; Y100-I133 HydrophobicContact CE2-CD1 4.13Å; Y100-I133 HydrophobicContact CE2-CG1 4.08Å; Y100-I133 HydrophobicContact CG-CD1 4.01Å; Y100-I133 HydrophobicContact CG-CG1 3.8Å; Y100-I133 HydrophobicContact CG-CG2 4.38Å |
| 101 | V | 98.3 | Very high | 98.4 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 7% | 0.073 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.6 | -25.5 | 178.7 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | W80 Y83 F84 L93 G97 L98 Y125 | W80-V101 HydrophobicContact CE3-CG1 3.83Å; W80-V101 HydrophobicContact CZ3-CG1 3.98Å; Y83-V101 HydrophobicContact CD1-CB 4Å; Y83-V101 HydrophobicContact CD1-CG1 4.43Å; Y83-V101 HydrophobicContact CD1-CG2 4.33Å; Y83-V101 HydrophobicContact CD2-CG2 4.31Å; Y83-V101 HydrophobicContact CE1-CB 3.86Å; Y83-V101 HydrophobicContact CE1-CG2 4.17Å; Y83-V101 HydrophobicContact CE2-CG2 4.15Å; Y83-V101 HydrophobicContact CG-CB 4.47Å; Y83-V101 HydrophobicContact CG-CG2 4.39Å; F84-V101 HydrophobicContact CE2-CB 4.29Å; F84-V101 HydrophobicContact CE2-CG1 3.89Å; F84-V101 HydrophobicContact CZ-CB 4.3Å; F84-V101 HydrophobicContact CZ-CG1 4.37Å; L93-V101 HydrophobicContact CD1-CG1 4.05Å; L93-V101 HydrophobicContact CD1-CG2 4.08Å; L93-V101 HydrophobicContact CD2-CG1 4.32Å; G97-V101 WeakPolarHBondContact O-CG1 3.31Å; G97-V101 PolarHBondContact O-N 2.95Å; L98-V101 VanDerWaalsContact O-CG2 3.23Å; L98-V101 WeakPolarHBondContact O-CG2 3.36Å; L98-V101 PolarHBondContact O-N 3.5Å; V101-Y125 WeakPolarHBondContact CA-OH 3.49Å |
| 102 | H | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 23.2 Ų | 23.2 | 26% | 0.255 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -91.6 | -36.5 | 178 | -74.9 | -73 | 0 | 0 | 0 | 113.7 | Y62 P64 F69 Y83 L98 V99 Y100 | Y62-H102 AromaticContact CE2-NE2 3.91Å; Y62-H102 AromaticContact CZ-NE2 3.84Å; Y62-H102 PolarHBondContact OH-NE2 3.41Å; P64-H102 VanDerWaalsContact CB-CE1 3.47Å; P64-H102 WeakPolarHBondContact CB-CE1 3.42Å; P64-H102 WeakPolarHBondContact CG-CE1 2.96Å; P64-H102 VanDerWaalsContact CG-NE2 3.34Å; P64-H102 WeakPolarHBondContact CG-NE2 3.41Å; F69-H102 HydrophobicContact CE1-CB 4.29Å; F69-H102 AromaticContact CE1-CD2 3.45Å; F69-H102 VanDerWaalsContact CE1-CD2 3.45Å; F69-H102 WeakPolarHBondContact CE1-CD2 3.46Å; F69-H102 AromaticContact CE1-CG 3.9Å; F69-H102 HydrophobicContact CZ-CB 4.45Å; Y83-H102 AromaticContact CE2-CE1 3.74Å; Y83-H102 AromaticContact CE2-NE2 3.75Å; Y83-H102 AromaticContact CZ-CE1 3.81Å; Y83-H102 PolarHBondContact OH-CE1 3.04Å; Y83-H102 PolarHBondContact OH-ND1 3.01Å; L98-H102 PolarHBondContact O-CD2 3.4Å; L98-H102 PolarHBondContact O-N 2.87Å; V99-H102 PolarHBondContact O-N 2.87Å; Y100-H102 PolarHBondContact O-N 3.14Å |
| 103 | F | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 22.8 Ų | 22.8 | 10% | 0.096 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -120.5 | -13.5 | -171.1 | -61.3 | -78.7 | 0 | 0 | 0 | 114.5 | L29 L32 I54 L67 F69 V99 K105 R106 V107 | L29-F103 HydrophobicContact CD2-CD2 4.16Å; L29-F103 HydrophobicContact CD2-CE2 4.36Å; L29-F103 HydrophobicContact CD2-CG 4.44Å; L32-F103 HydrophobicContact CD1-CB 4.13Å; L32-F103 HydrophobicContact CD1-CD1 3.67Å; L32-F103 HydrophobicContact CD1-CE1 4.44Å; L32-F103 HydrophobicContact CD1-CG 4.11Å; I54-F103 HydrophobicContact CD1-CE2 4.25Å; I54-F103 HydrophobicContact CD1-CZ 4.47Å; L67-F103 HydrophobicContact CD2-CZ 3.84Å; F69-F103 HydrophobicContact CE1-CE2 4.48Å; F69-F103 AromaticContact CE2-CE2 3.68Å; F69-F103 HydrophobicContact CE2-CE2 3.68Å; F69-F103 HydrophobicContact CE2-CZ 4.34Å; F69-F103 AromaticContact CZ-CE2 3.56Å; F69-F103 HydrophobicContact CZ-CE2 3.56Å; F69-F103 HydrophobicContact CZ-CZ 4.22Å; V99-F103 HydrophobicContact CG1-CD2 4.12Å; V99-F103 WeakPolarHBondContact O-CB 3.45Å; V99-F103 WeakPolarHBondContact O-CD2 3.43Å; V99-F103 PolarHBondContact O-N 3.49Å; F103-K105 VanDerWaalsContact C-N 3.3Å; F103-K105 PolarHBondContact O-N 3.18Å; F103-R106 WeakPolarHBondContact O-CA 3.47Å; F103-R106 WeakPolarHBondContact O-CB 3.23Å; F103-R106 PolarHBondContact O-N 2.75Å; F103-V107 HydrophobicContact CB-CG2 4.5Å; F103-V107 PolarHBondContact O-N 3.25Å |
| 104 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.5 | -41 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y100 R106 V107 L108 | Y100-G104 WeakPolarHBondContact O-CA 3.45Å; Y100-G104 PolarHBondContact O-N 3.21Å; G104-R106 PolarHBondContact O-N 2.88Å; G104-V107 PolarHBondContact O-N 3.43Å; G104-L108 WeakPolarHBondContact O-CB 3.35Å; G104-L108 VanDerWaalsContact O-CG 3.27Å; G104-L108 WeakPolarHBondContact O-CG 3.49Å; G104-L108 PolarHBondContact O-N 3.02Å |
| 105 | K | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 27% | 0.265 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.6 | -40 | 174.4 | -65.6 | -172.8 | 177.8 | -165.4 | 0 | 113.1 | F103 S109 E122 Y125 | F103-K105 VanDerWaalsContact C-N 3.3Å; F103-K105 PolarHBondContact O-N 3.18Å; K105-S109 VanDerWaalsContact O-CB 3.24Å; K105-S109 WeakPolarHBondContact O-CB 3.44Å; K105-S109 PolarHBondContact O-N 2.73Å; K105-E122 WeakPolarHBondContact CE-OE1 3.37Å; K105-E122 VanDerWaalsContact CE-OE2 3.29Å; K105-E122 WeakPolarHBondContact CE-OE2 3.42Å; K105-E122 IonicContact NZ-OE1 3.65Å; K105-E122 PolarHBondContact NZ-OE1 3.33Å; K105-E122 IonicContact NZ-OE2 2.68Å; K105-E122 PolarHBondContact NZ-OE2 3.41Å; K105-Y125 HydrophobicContact CG-CD1 4.38Å; K105-Y125 HydrophobicContact CG-CD2 3.69Å; K105-Y125 HydrophobicContact CG-CE2 3.89Å; K105-Y125 HydrophobicContact CG-CG 3.98Å |
| 106 | R | 98.6 | Very high | 98.4 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 176.2 | -66 | 180 | 62.7 | -145.5 | -8.6 | 110.9 | L32 E34 F103 G104 S109 V110 I116 | L32-R106 HydrophobicContact CD2-CB 3.67Å; E34-R106 VanDerWaalsContact CD-NH2 3.28Å; E34-R106 IonicContact OE1-CZ 3.89Å; E34-R106 IonicContact OE1-NH1 2.72Å; E34-R106 PolarHBondContact OE1-NH1 3.14Å; E34-R106 IonicContact OE1-NH2 2.75Å; E34-R106 PolarHBondContact OE1-NH2 3.36Å; E34-R106 IonicContact OE2-NH2 3.89Å; E34-R106 PolarHBondContact OE2-NH2 3.09Å; F103-R106 WeakPolarHBondContact O-CA 3.47Å; F103-R106 WeakPolarHBondContact O-CB 3.23Å; F103-R106 PolarHBondContact O-N 2.75Å; G104-R106 PolarHBondContact O-N 2.88Å; R106-S109 PolarHBondContact O-N 3.41Å; R106-V110 WeakPolarHBondContact O-CG2 3.45Å; R106-V110 PolarHBondContact O-N 3.36Å; R106-I116 HydrophobicContact CG-CD1 3.79Å |
| 107 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -51.7 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L28 Y31 L32 F103 G104 S109 V110 L111 F191 | L28-V107 HydrophobicContact CB-CG2 4.49Å; L28-V107 HydrophobicContact CD2-CG1 4.19Å; L28-V107 WeakPolarHBondContact O-CG2 3.44Å; Y31-V107 HydrophobicContact CD2-CG1 4.14Å; Y31-V107 HydrophobicContact CG-CG1 4.38Å; L32-V107 HydrophobicContact CD2-CG2 3.81Å; L32-V107 HydrophobicContact CG-CG2 4.01Å; F103-V107 HydrophobicContact CB-CG2 4.5Å; F103-V107 PolarHBondContact O-N 3.25Å; G104-V107 PolarHBondContact O-N 3.43Å; V107-S109 VanDerWaalsContact C-N 3.33Å; V107-S109 PolarHBondContact O-N 3.39Å; V107-V110 PolarHBondContact O-N 2.74Å; V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 WeakPolarHBondContact O-CG 3.38Å; V107-L111 PolarHBondContact O-N 2.88Å; V107-F191 HydrophobicContact CG1-CE1 3.93Å; V107-F191 HydrophobicContact CG1-CZ 4.25Å |
| 108 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | 179.4 | -67.6 | 179.4 | 0 | 0 | 0 | 112.4 | Y100 G104 V110 L111 T112 L121 I124 Y125 I128 F191 V195 | Y100-L108 WeakPolarHBondContact OH-CD1 3.46Å; G104-L108 WeakPolarHBondContact O-CB 3.35Å; G104-L108 VanDerWaalsContact O-CG 3.27Å; G104-L108 WeakPolarHBondContact O-CG 3.49Å; G104-L108 PolarHBondContact O-N 3.02Å; L108-V110 VanDerWaalsContact C-N 3.34Å; L108-V110 PolarHBondContact O-N 3.49Å; L108-L111 PolarHBondContact O-N 3.33Å; L108-T112 WeakPolarHBondContact O-CB 3.1Å; L108-T112 WeakPolarHBondContact O-CG2 3.21Å; L108-T112 PolarHBondContact O-N 3.46Å; L108-T112 PolarHBondContact O-OG1 2.85Å; L108-L121 HydrophobicContact CB-CD1 3.63Å; L108-I124 HydrophobicContact CD1-CG2 4.21Å; L108-Y125 HydrophobicContact CD1-CD2 4.15Å; L108-I128 HydrophobicContact CD1-CG1 4.48Å; L108-I128 HydrophobicContact CD2-CG1 4.31Å; L108-F191 HydrophobicContact CD2-CZ 4.38Å; L108-V195 HydrophobicContact CD2-CB 4.4Å; L108-V195 HydrophobicContact CD2-CG1 3.89Å; L108-V195 HydrophobicContact CD2-CG2 3.54Å |
| 109 | S | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | K105 R106 V107 L111 G113 L114 | K105-S109 VanDerWaalsContact O-CB 3.24Å; K105-S109 WeakPolarHBondContact O-CB 3.44Å; K105-S109 PolarHBondContact O-N 2.73Å; R106-S109 PolarHBondContact O-N 3.41Å; V107-S109 VanDerWaalsContact C-N 3.33Å; V107-S109 PolarHBondContact O-N 3.39Å; S109-L111 PolarHBondContact O-N 2.82Å; S109-G113 WeakPolarHBondContact O-CA 3.45Å; S109-G113 PolarHBondContact O-N 3.32Å; S109-L114 WeakPolarHBondContact CA-O 3.41Å; S109-L114 VanDerWaalsContact CB-O 3.24Å; S109-L114 WeakPolarHBondContact CB-O 3.46Å; S109-L114 PolarHBondContact OG-O 2.9Å |
| 110 | V | 98.4 | Very high | 97.7 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 38% | 0.376 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | R106 V107 L108 | R106-V110 WeakPolarHBondContact O-CG2 3.45Å; R106-V110 PolarHBondContact O-N 3.36Å; V107-V110 PolarHBondContact O-N 2.74Å; L108-V110 VanDerWaalsContact C-N 3.34Å; L108-V110 PolarHBondContact O-N 3.49Å |
| 111 | L | 98.2 | Very high | 97.6 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -75.5 | -34 | -176.4 | -69.9 | 177.6 | 0 | 0 | 0 | 113.8 | Y31 V107 L108 S109 F191 L192 V195 | Y31-L111 HydrophobicContact CD1-CD2 3.63Å; Y31-L111 HydrophobicContact CD1-CG 4.43Å; Y31-L111 HydrophobicContact CD2-CD1 4.36Å; Y31-L111 HydrophobicContact CE1-CD2 3.88Å; Y31-L111 HydrophobicContact CG-CD1 4.37Å; Y31-L111 HydrophobicContact CG-CD2 4.14Å; Y31-L111 HydrophobicContact CG-CG 4.48Å; V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 WeakPolarHBondContact O-CG 3.38Å; V107-L111 PolarHBondContact O-N 2.88Å; L108-L111 PolarHBondContact O-N 3.33Å; S109-L111 PolarHBondContact O-N 2.82Å; L111-F191 HydrophobicContact CD1-CD1 4.34Å; L111-F191 HydrophobicContact CD1-CE1 3.74Å; L111-L192 HydrophobicContact CD1-CD2 4.06Å; L111-L192 HydrophobicContact CD2-CD2 3.6Å; L111-L192 HydrophobicContact CG-CD2 4.45Å; L111-V195 HydrophobicContact CB-CG1 4.22Å; L111-V195 HydrophobicContact CD1-CG1 4.32Å; L111-V195 HydrophobicContact CD1-CG2 4.29Å |
| 112 | T | 97.8 | Very high | 97.5 | Very high | 34 Ų | 34 | 53 Ų | 53 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -100.1 | -18.3 | -174.7 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | L108 L114 V195 T199 | L108-T112 WeakPolarHBondContact O-CB 3.1Å; L108-T112 WeakPolarHBondContact O-CG2 3.21Å; L108-T112 PolarHBondContact O-N 3.46Å; L108-T112 PolarHBondContact O-OG1 2.85Å; T112-L114 PolarHBondContact O-N 2.82Å; T112-L114 WeakPolarHBondContact OG1-CB 3.16Å; T112-L114 PolarHBondContact OG1-N 3.23Å; T112-V195 HydrophobicContact CG2-CG1 4.01Å; T112-T199 HydrophobicContact CG2-CG2 3.86Å; T112-T199 WeakPolarHBondContact CG2-OG1 3.35Å |
| 113 | G | 97.5 | Very high | 97.3 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 71% | 0.711 | 29% | 0.291 | S | S | * | . | trans | 74.1 | 3.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S109 | S109-G113 WeakPolarHBondContact O-CA 3.45Å; S109-G113 PolarHBondContact O-N 3.32Å | ||
| 114 | L | 97.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -80 | 142.7 | 177.6 | -62.7 | 171.9 | 0 | 0 | 0 | 111 | S109 T112 V120 L121 I124 | S109-L114 WeakPolarHBondContact CA-O 3.41Å; S109-L114 VanDerWaalsContact CB-O 3.24Å; S109-L114 WeakPolarHBondContact CB-O 3.46Å; S109-L114 PolarHBondContact OG-O 2.9Å; T112-L114 PolarHBondContact O-N 2.82Å; T112-L114 WeakPolarHBondContact OG1-CB 3.16Å; T112-L114 PolarHBondContact OG1-N 3.23Å; L114-V120 HydrophobicContact CD1-CB 4.03Å; L114-V120 HydrophobicContact CD1-CG1 3.79Å; L114-L121 HydrophobicContact CB-CB 4.24Å; L114-L121 HydrophobicContact CB-CD1 4.14Å; L114-L121 HydrophobicContact CD1-CB 4.36Å; L114-I124 HydrophobicContact CD1-CD1 4.36Å |
| 115 | E | 97.8 | Very high | 97.2 | Very high | 157 Ų | 157 | 52.6 Ų | 52.6 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 147.5 | 176.3 | -66 | -175.5 | 173.5 | 0 | 0 | 112.1 | G117 H118 L121 | E115-G117 PolarHBondContact O-N 3.05Å; E115-H118 WeakPolarHBondContact O-CB 3.39Å; E115-H118 PolarHBondContact O-N 2.94Å; E115-L121 WeakPolarHBondContact O-CD2 3.41Å |
| 116 | I | 97.4 | Very high | 97.1 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 127.8 | 172.5 | -62.5 | 176.3 | 0 | 0 | 0 | 108.9 | R106 L121 | R106-I116 HydrophobicContact CG-CD1 3.79Å; I116-L121 HydrophobicContact CG1-CD2 4.47Å |
| 117 | G | 94.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 54% | 0.536 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -6.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E115 E119 | E115-G117 PolarHBondContact O-N 3.05Å; G117-E119 PolarHBondContact O-N 2.9Å |
| 118 | H | 96.7 | Very high | 96.9 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 40% | 0.398 | 28% | 0.28 | S | S | . | . | trans | -63 | 133.7 | 171.1 | -169.3 | -89.4 | 0 | 0 | 0 | 110.5 | E115 V120 L121 E122 | E115-H118 WeakPolarHBondContact O-CB 3.39Å; E115-H118 PolarHBondContact O-N 2.94Å; H118-V120 WeakPolarHBondContact CE1-CG2 3.49Å; H118-V120 WeakPolarHBondContact ND1-CB 3.36Å; H118-V120 PolarHBondContact ND1-N 3.19Å; H118-V120 PolarHBondContact O-N 3.25Å; H118-V120 VanDerWaalsContact O-N 3.13Å; H118-L121 HydrophobicContact CB-CB 4.29Å; H118-L121 WeakPolarHBondContact O-CA 3.29Å; H118-L121 WeakPolarHBondContact O-CB 3.29Å; H118-L121 PolarHBondContact O-N 3.48Å; H118-E122 PolarHBondContact O-N 3.46Å; H118-E122 VanDerWaalsContact O-N 3.08Å | ||
| 119 | E | 94.3 | Very high | 96.9 | Very high | 133 Ų | 133 | 49.8 Ų | 49.8 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -52.7 | -42.9 | -174.2 | -175 | -170.5 | 170.4 | 0 | 0 | 112.4 | G117 L121 E122 K123 | G117-E119 PolarHBondContact O-N 2.9Å; E119-L121 VanDerWaalsContact C-N 3.35Å; E119-L121 PolarHBondContact O-N 3Å; E119-E122 WeakPolarHBondContact O-CB 3.28Å; E119-E122 PolarHBondContact O-N 3.47Å; E119-K123 WeakPolarHBondContact O-CG 3.35Å; E119-K123 PolarHBondContact O-N 3.13Å |
| 120 | V | 94.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 179 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | L114 H118 E122 K123 I124 W203 | L114-V120 HydrophobicContact CD1-CB 4.03Å; L114-V120 HydrophobicContact CD1-CG1 3.79Å; H118-V120 WeakPolarHBondContact CE1-CG2 3.49Å; H118-V120 WeakPolarHBondContact ND1-CB 3.36Å; H118-V120 PolarHBondContact ND1-N 3.19Å; H118-V120 PolarHBondContact O-N 3.25Å; H118-V120 VanDerWaalsContact O-N 3.13Å; V120-E122 VanDerWaalsContact C-N 3.32Å; V120-E122 PolarHBondContact O-N 3.31Å; V120-K123 PolarHBondContact O-N 3.46Å; V120-I124 HydrophobicContact CG1-CD1 3.65Å; V120-I124 HydrophobicContact CG1-CG1 4.34Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.1Å; V120-I124 PolarHBondContact O-N 3.05Å; V120-W203 HydrophobicContact CB-CZ2 4.49Å; V120-W203 HydrophobicContact CG1-CD2 4.04Å; V120-W203 HydrophobicContact CG1-CG 3.7Å; V120-W203 HydrophobicContact CG2-CZ2 3.84Å |
| 121 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.8 | -172.5 | 82.7 | 0 | 0 | 0 | 110.2 | L108 L114 E115 I116 H118 E119 K123 I124 Y125 | L108-L121 HydrophobicContact CB-CD1 3.63Å; L114-L121 HydrophobicContact CB-CB 4.24Å; L114-L121 HydrophobicContact CB-CD1 4.14Å; L114-L121 HydrophobicContact CD1-CB 4.36Å; E115-L121 WeakPolarHBondContact O-CD2 3.41Å; I116-L121 HydrophobicContact CG1-CD2 4.47Å; H118-L121 HydrophobicContact CB-CB 4.29Å; H118-L121 WeakPolarHBondContact O-CA 3.29Å; H118-L121 WeakPolarHBondContact O-CB 3.29Å; H118-L121 PolarHBondContact O-N 3.48Å; E119-L121 VanDerWaalsContact C-N 3.35Å; E119-L121 PolarHBondContact O-N 3Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.06Å; L121-I124 PolarHBondContact O-N 3.15Å; L121-Y125 WeakPolarHBondContact O-CB 3.45Å; L121-Y125 PolarHBondContact O-N 3.29Å |
| 122 | E | 96 | Very high | 96.5 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.9 | -64.7 | -63 | 148.8 | 0 | 0 | 111.9 | K105 H118 E119 V120 M126 | K105-E122 WeakPolarHBondContact CE-OE1 3.37Å; K105-E122 VanDerWaalsContact CE-OE2 3.29Å; K105-E122 WeakPolarHBondContact CE-OE2 3.42Å; K105-E122 IonicContact NZ-OE1 3.65Å; K105-E122 PolarHBondContact NZ-OE1 3.33Å; K105-E122 IonicContact NZ-OE2 2.68Å; K105-E122 PolarHBondContact NZ-OE2 3.41Å; H118-E122 PolarHBondContact O-N 3.46Å; H118-E122 VanDerWaalsContact O-N 3.08Å; E119-E122 WeakPolarHBondContact O-CB 3.28Å; E119-E122 PolarHBondContact O-N 3.47Å; V120-E122 VanDerWaalsContact C-N 3.32Å; V120-E122 PolarHBondContact O-N 3.31Å; E122-M126 WeakPolarHBondContact O-CG 3.19Å; E122-M126 PolarHBondContact O-N 3.25Å |
| 123 | K | 94.7 | Very high | 96.6 | Very high | 64 Ų | 64 | 49 Ų | 49 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 177.1 | -63.8 | -74.3 | -175.4 | 175 | 0 | 112 | E119 V120 L121 M126 K127 W203 E244 | E119-K123 WeakPolarHBondContact O-CG 3.35Å; E119-K123 PolarHBondContact O-N 3.13Å; V120-K123 PolarHBondContact O-N 3.46Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.06Å; K123-M126 PolarHBondContact O-N 3.39Å; K123-K127 WeakPolarHBondContact O-CG 3.25Å; K123-K127 PolarHBondContact O-N 3.44Å; K123-K127 VanDerWaalsContact O-N 3.12Å; K123-W203 HydrophobicContact CB-CE3 4.15Å; K123-W203 HydrophobicContact CB-CH2 4.09Å; K123-W203 HydrophobicContact CB-CZ3 3.67Å; K123-W203 HydrophobicContact CD-CH2 4.45Å; K123-W203 HydrophobicContact CD-CZ3 4.34Å; K123-W203 HydrophobicContact CG-CH2 3.68Å; K123-W203 HydrophobicContact CG-CZ3 3.68Å; K123-E244 IonicContact NZ-OE1 3.68Å |
| 124 | I | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 176.2 | -67.1 | 166.3 | 0 | 0 | 0 | 110.3 | L108 L114 V120 L121 M126 K127 I128 F198 T199 | L108-I124 HydrophobicContact CD1-CG2 4.21Å; L114-I124 HydrophobicContact CD1-CD1 4.36Å; V120-I124 HydrophobicContact CG1-CD1 3.65Å; V120-I124 HydrophobicContact CG1-CG1 4.34Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.1Å; V120-I124 PolarHBondContact O-N 3.05Å; L121-I124 PolarHBondContact O-N 3.15Å; I124-M126 PolarHBondContact O-N 2.81Å; I124-K127 PolarHBondContact O-N 3.38Å; I124-I128 HydrophobicContact CG2-CG1 3.88Å; I124-I128 WeakPolarHBondContact O-CB 3.37Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.27Å; I124-I128 PolarHBondContact O-N 3.2Å; I124-F198 HydrophobicContact CG2-CB 4.19Å; I124-T199 HydrophobicContact CD1-CG2 4.16Å |
| 125 | Y | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 177.3 | 174.8 | -104.3 | 0 | 0 | 0 | 112 | W80 F84 Y100 V101 K105 L108 L121 K127 Y129 | W80-Y125 HydrophobicContact CH2-CD1 4.05Å; W80-Y125 AromaticContact CH2-CE1 3.26Å; W80-Y125 HydrophobicContact CH2-CE1 3.26Å; W80-Y125 HydrophobicContact CH2-CE2 4.48Å; W80-Y125 AromaticContact CH2-CZ 3.49Å; W80-Y125 VanDerWaalsContact CH2-CZ 3.49Å; W80-Y125 WeakPolarHBondContact CH2-OH 3.3Å; W80-Y125 AromaticContact CZ2-CE1 3.8Å; W80-Y125 HydrophobicContact CZ2-CE1 3.8Å; W80-Y125 HydrophobicContact CZ3-CE1 4.22Å; F84-Y125 HydrophobicContact CZ-CE1 4.08Å; F84-Y125 VanDerWaalsContact CZ-OH 3.27Å; F84-Y125 WeakPolarHBondContact CZ-OH 3.48Å; Y100-Y125 AromaticContact CD1-CE2 3.8Å; Y100-Y125 HydrophobicContact CD1-CE2 3.8Å; Y100-Y125 AromaticContact CE1-CD2 3.6Å; Y100-Y125 HydrophobicContact CE1-CD2 3.6Å; Y100-Y125 AromaticContact CE1-CE2 3.2Å; Y100-Y125 HydrophobicContact CE1-CE2 3.2Å; Y100-Y125 HydrophobicContact CE1-CG 4.48Å; Y100-Y125 AromaticContact CE1-CZ 3.82Å; Y100-Y125 AromaticContact CZ-CD2 3.62Å; Y100-Y125 AromaticContact CZ-CE2 3.66Å; Y100-Y125 VanDerWaalsContact OH-CD2 3.29Å; Y100-Y125 WeakPolarHBondContact OH-CD2 3.38Å; Y100-Y125 PolarHBondContact OH-O 3.34Å; Y100-Y125 VanDerWaalsContact OH-O 3.05Å; V101-Y125 WeakPolarHBondContact CA-OH 3.49Å; K105-Y125 HydrophobicContact CG-CD1 4.38Å; K105-Y125 HydrophobicContact CG-CD2 3.69Å; K105-Y125 HydrophobicContact CG-CE2 3.89Å; K105-Y125 HydrophobicContact CG-CG 3.98Å; L108-Y125 HydrophobicContact CD1-CD2 4.15Å; L121-Y125 WeakPolarHBondContact O-CB 3.45Å; L121-Y125 PolarHBondContact O-N 3.29Å; Y125-K127 VanDerWaalsContact C-N 3.33Å; Y125-K127 PolarHBondContact O-N 3.46Å; Y125-Y129 PolarHBondContact O-N 3.46Å; Y125-Y129 VanDerWaalsContact O-N 3.16Å |
| 126 | M | 95.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 174.9 | -64.5 | -60.4 | -72.2 | 0 | 0 | 112.3 | W80 M88 W89 E122 K123 I124 Y129 E130 | W80-M126 HydrophobicContact CH2-SD 4.22Å; W80-M126 HydrophobicContact CZ2-CE 4.03Å; W80-M126 HydrophobicContact CZ2-SD 3.45Å; W80-M126 WeakPolarHBondContact CZ2-SD 3.49Å; M88-M126 HydrophobicContact CE-CE 4.34Å; M88-M126 HydrophobicContact SD-CE 4.29Å; W89-M126 HydrophobicContact CH2-CB 4.44Å; W89-M126 HydrophobicContact CH2-CE 3.51Å; W89-M126 HydrophobicContact CH2-SD 4.48Å; W89-M126 HydrophobicContact CZ3-CE 3.51Å; W89-M126 HydrophobicContact CZ3-SD 4.38Å; E122-M126 WeakPolarHBondContact O-CG 3.19Å; E122-M126 PolarHBondContact O-N 3.25Å; K123-M126 PolarHBondContact O-N 3.39Å; I124-M126 PolarHBondContact O-N 2.81Å; M126-Y129 PolarHBondContact O-N 2.9Å; M126-E130 WeakPolarHBondContact O-CB 3.43Å; M126-E130 PolarHBondContact O-N 3.3Å |
| 127 | K | 95.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.8 | -37.2 | -177.1 | -76.7 | -71.9 | 163.2 | -159 | 0 | 113.7 | K123 I124 Y125 E130 S131 F198 W202 | K123-K127 WeakPolarHBondContact O-CG 3.25Å; K123-K127 PolarHBondContact O-N 3.44Å; K123-K127 VanDerWaalsContact O-N 3.12Å; I124-K127 PolarHBondContact O-N 3.38Å; Y125-K127 VanDerWaalsContact C-N 3.33Å; Y125-K127 PolarHBondContact O-N 3.46Å; K127-E130 IonicContact NZ-OE2 2.63Å; K127-E130 PolarHBondContact NZ-OE2 2.87Å; K127-E130 PolarHBondContact O-N 3Å; K127-S131 WeakPolarHBondContact O-CB 3.42Å; K127-S131 PolarHBondContact O-N 2.85Å; K127-S131 PolarHBondContact O-OG 3.43Å; K127-F198 HydrophobicContact CB-CD1 3.88Å; K127-F198 HydrophobicContact CB-CE1 3.88Å; K127-F198 HydrophobicContact CB-CG 4.28Å; K127-F198 HydrophobicContact CB-CZ 4.26Å; K127-F198 HydrophobicContact CD-CE1 4.25Å; K127-F198 HydrophobicContact CG-CD1 4.4Å; K127-F198 HydrophobicContact CG-CE1 4.33Å; K127-W202 HydrophobicContact CD-CH2 3.97Å; K127-W202 HydrophobicContact CD-CZ2 3.77Å; K127-W202 VanDerWaalsContact CE-CZ2 3.49Å; K127-W202 HydrophobicContact CG-CE3 4.41Å; K127-W202 HydrophobicContact CG-CH2 3.51Å; K127-W202 HydrophobicContact CG-CZ2 3.84Å; K127-W202 HydrophobicContact CG-CZ3 3.79Å |
| 128 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.5 | -68.1 | -70.5 | 0 | 0 | 0 | 110.1 | Y100 L108 I124 F132 I133 F191 T194 V195 F198 | Y100-I128 HydrophobicContact CE2-CG2 3.72Å; Y100-I128 VanDerWaalsContact OH-CB 3.3Å; Y100-I128 WeakPolarHBondContact OH-CB 3.37Å; Y100-I128 VanDerWaalsContact OH-CG2 3.27Å; Y100-I128 WeakPolarHBondContact OH-CG2 3.49Å; L108-I128 HydrophobicContact CD1-CG1 4.48Å; L108-I128 HydrophobicContact CD2-CG1 4.31Å; I124-I128 HydrophobicContact CG2-CG1 3.88Å; I124-I128 WeakPolarHBondContact O-CB 3.37Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.27Å; I124-I128 PolarHBondContact O-N 3.2Å; I128-F132 VanDerWaalsContact O-CB 3.27Å; I128-F132 WeakPolarHBondContact O-CB 3.31Å; I128-F132 PolarHBondContact O-N 2.8Å; I128-I133 HydrophobicContact CG2-CG1 4.3Å; I128-I133 PolarHBondContact O-N 2.97Å; I128-F191 HydrophobicContact CG2-CE2 3.83Å; I128-F191 HydrophobicContact CG2-CZ 4.48Å; I128-T194 HydrophobicContact CD1-CG2 3.71Å; I128-V195 HydrophobicContact CD1-CB 4.46Å; I128-V195 HydrophobicContact CD1-CG2 3.8Å; I128-V195 HydrophobicContact CG1-CG2 4.44Å; I128-F198 HydrophobicContact CD1-CD2 3.54Å; I128-F198 HydrophobicContact CD1-CE2 4.24Å; I128-F198 HydrophobicContact CD1-CG 4.41Å; I128-F198 HydrophobicContact CG1-CD2 4.28Å |
| 129 | Y | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -59.9 | -53.4 | 174.2 | -174.4 | -98.2 | 0 | 0 | 0 | 111.6 | W80 W89 L93 Y100 Y125 M126 S131 I133 L134 D137 | W80-Y129 HydrophobicContact CB-CE1 3.87Å; W80-Y129 AromaticContact CD2-CD1 3.8Å; W80-Y129 HydrophobicContact CD2-CD1 3.8Å; W80-Y129 HydrophobicContact CD2-CD2 4.42Å; W80-Y129 AromaticContact CD2-CE1 3.72Å; W80-Y129 HydrophobicContact CD2-CE1 3.72Å; W80-Y129 HydrophobicContact CD2-CE2 4.4Å; W80-Y129 HydrophobicContact CD2-CG 4.14Å; W80-Y129 AromaticContact CE3-CD1 3.46Å; W80-Y129 HydrophobicContact CE3-CD1 3.46Å; W80-Y129 VanDerWaalsContact CE3-CD1 3.46Å; W80-Y129 AromaticContact CE3-CD2 3.31Å; W80-Y129 HydrophobicContact CE3-CD2 3.31Å; W80-Y129 AromaticContact CE3-CE1 3.49Å; W80-Y129 HydrophobicContact CE3-CE1 3.49Å; W80-Y129 VanDerWaalsContact CE3-CE1 3.49Å; W80-Y129 AromaticContact CE3-CE2 3.39Å; W80-Y129 HydrophobicContact CE3-CE2 3.39Å; W80-Y129 AromaticContact CE3-CG 3.36Å; W80-Y129 HydrophobicContact CE3-CG 3.36Å; W80-Y129 AromaticContact CE3-CZ 3.47Å; W80-Y129 VanDerWaalsContact CE3-CZ 3.47Å; W80-Y129 HydrophobicContact CG-CD1 4.39Å; W80-Y129 AromaticContact CG-CE1 3.92Å; W80-Y129 HydrophobicContact CG-CE1 3.92Å; W80-Y129 HydrophobicContact CH2-CD1 4.26Å; W80-Y129 HydrophobicContact CH2-CD2 4.24Å; W80-Y129 AromaticContact CH2-CG 3.81Å; W80-Y129 HydrophobicContact CH2-CG 3.81Å; W80-Y129 AromaticContact CZ3-CD1 3.7Å; W80-Y129 HydrophobicContact CZ3-CD1 3.7Å; W80-Y129 AromaticContact CZ3-CD2 3.19Å; W80-Y129 HydrophobicContact CZ3-CD2 3.19Å; W80-Y129 HydrophobicContact CZ3-CE1 4.19Å; W80-Y129 AromaticContact CZ3-CE2 3.78Å; W80-Y129 HydrophobicContact CZ3-CE2 3.78Å; W80-Y129 AromaticContact CZ3-CG 3.15Å; W80-Y129 HydrophobicContact CZ3-CG 3.15Å; W89-Y129 HydrophobicContact CB-CE1 4.07Å; W89-Y129 AromaticContact CD2-CD1 3.85Å; W89-Y129 HydrophobicContact CD2-CD1 3.85Å; W89-Y129 AromaticContact CD2-CE1 3.84Å; W89-Y129 HydrophobicContact CD2-CE1 3.84Å; W89-Y129 AromaticContact CE3-CD1 3.31Å; W89-Y129 HydrophobicContact CE3-CD1 3.31Å; W89-Y129 AromaticContact CE3-CE1 3.46Å; W89-Y129 HydrophobicContact CE3-CE1 3.46Å; W89-Y129 VanDerWaalsContact CE3-CE1 3.46Å; W89-Y129 HydrophobicContact CG-CE1 4.12Å; W89-Y129 HydrophobicContact CH2-CD1 4.14Å; W89-Y129 AromaticContact CZ3-CD1 3.46Å; W89-Y129 HydrophobicContact CZ3-CD1 3.46Å; W89-Y129 VanDerWaalsContact CZ3-CD1 3.46Å; W89-Y129 HydrophobicContact CZ3-CE1 4.1Å; W89-Y129 HydrophobicContact CZ3-CG 4.37Å; L93-Y129 HydrophobicContact CD2-CE2 4.05Å; L93-Y129 WeakPolarHBondContact CD2-OH 3.39Å; Y100-Y129 AromaticContact CD1-CD2 3.94Å; Y100-Y129 HydrophobicContact CD1-CD2 3.94Å; Y100-Y129 HydrophobicContact CE1-CD2 4.28Å; Y125-Y129 PolarHBondContact O-N 3.46Å; Y125-Y129 VanDerWaalsContact O-N 3.16Å; M126-Y129 PolarHBondContact O-N 2.9Å; Y129-S131 VanDerWaalsContact C-N 3.29Å; Y129-S131 PolarHBondContact O-N 2.85Å; Y129-I133 HydrophobicContact CD2-CB 3.56Å; Y129-I133 HydrophobicContact CD2-CG1 4.17Å; Y129-I133 HydrophobicContact CD2-CG2 3.69Å; Y129-I133 HydrophobicContact CE2-CB 3.98Å; Y129-I133 HydrophobicContact CE2-CG2 3.7Å; Y129-I133 HydrophobicContact CG-CB 4.33Å; Y129-I133 PolarHBondContact O-N 3.14Å; Y129-L134 HydrophobicContact CD1-CB 4.42Å; Y129-L134 HydrophobicContact CE1-CB 4.12Å; Y129-L134 HydrophobicContact CE1-CD1 4.02Å; Y129-L134 VanDerWaalsContact O-CB 3.29Å; Y129-L134 WeakPolarHBondContact O-CB 3.15Å; Y129-L134 PolarHBondContact O-N 3.02Å; Y129-D137 VanDerWaalsContact CE2-OD2 3.23Å; Y129-D137 WeakPolarHBondContact CE2-OD2 3.43Å; Y129-D137 VanDerWaalsContact CZ-OD2 3.31Å; Y129-D137 PolarHBondContact OH-OD2 3.05Å |
| 130 | E | 95.9 | Very high | 96.9 | Very high | 79 Ų | 79 | 30.6 Ų | 30.6 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -56.2 | -41.5 | -178.6 | -172.2 | 177.8 | -157 | 0 | 0 | 113 | W89 M126 K127 | W89-E130 HydrophobicContact CH2-CB 4.14Å; W89-E130 HydrophobicContact CZ2-CB 3.54Å; W89-E130 HydrophobicContact CZ2-CG 3.78Å; M126-E130 WeakPolarHBondContact O-CB 3.43Å; M126-E130 PolarHBondContact O-N 3.3Å; K127-E130 IonicContact NZ-OE2 2.63Å; K127-E130 PolarHBondContact NZ-OE2 2.87Å; K127-E130 PolarHBondContact O-N 3Å |
| 131 | S | 94.6 | Very high | 97 | Very high | 62 Ų | 62 | 31.4 Ų | 31.4 | 43% | 0.434 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -99.3 | -11.5 | -167 | -46.2 | 0 | 0 | 0 | 0 | 114 | K127 Y129 F198 | K127-S131 WeakPolarHBondContact O-CB 3.42Å; K127-S131 PolarHBondContact O-N 2.85Å; K127-S131 PolarHBondContact O-OG 3.43Å; Y129-S131 VanDerWaalsContact C-N 3.29Å; Y129-S131 PolarHBondContact O-N 2.85Å; S131-F198 WeakPolarHBondContact OG-CZ 3.32Å |
| 132 | F | 97.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -137.2 | -58.1 | -172.6 | -160.2 | -76.1 | 0 | 0 | 0 | 112.4 | L24 I128 I136 L158 E190 F191 T194 | L24-F132 HydrophobicContact CD1-CE1 4.13Å; L24-F132 HydrophobicContact CD2-CD1 4.25Å; L24-F132 HydrophobicContact CD2-CE1 4.06Å; I128-F132 VanDerWaalsContact O-CB 3.27Å; I128-F132 WeakPolarHBondContact O-CB 3.31Å; I128-F132 PolarHBondContact O-N 2.8Å; F132-I136 HydrophobicContact CD1-CD1 4.02Å; F132-I136 HydrophobicContact CE1-CD1 3.86Å; F132-L158 HydrophobicContact CE1-CD2 3.81Å; F132-L158 HydrophobicContact CE2-CD2 4.24Å; F132-L158 HydrophobicContact CZ-CD2 3.42Å; F132-L158 VanDerWaalsContact CZ-CD2 3.42Å; F132-E190 HydrophobicContact CE2-CB 4.18Å; F132-E190 HydrophobicContact CE2-CG 3.78Å; F132-E190 HydrophobicContact CZ-CB 4.2Å; F132-E190 HydrophobicContact CZ-CG 4.17Å; F132-F191 HydrophobicContact CD1-CD2 4.28Å; F132-F191 HydrophobicContact CE1-CB 4.45Å; F132-F191 HydrophobicContact CE1-CD2 4.12Å; F132-F191 HydrophobicContact CZ-CB 4.01Å; F132-F191 HydrophobicContact CZ-CD2 4.35Å; F132-T194 HydrophobicContact CB-CG2 4.43Å; F132-T194 HydrophobicContact CD2-CG2 3.83Å; F132-T194 WeakPolarHBondContact CD2-OG1 3.32Å; F132-T194 WeakPolarHBondContact CE2-OG1 3.26Å |
| 133 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -70.2 | -42.3 | -172.5 | -47.6 | -63.9 | 0 | 0 | 0 | 111 | L24 Y100 I128 Y129 E135 I136 D137 F191 | L24-I133 HydrophobicContact CD2-CD1 3.71Å; Y100-I133 HydrophobicContact CD1-CG1 3.99Å; Y100-I133 HydrophobicContact CD2-CD1 3.7Å; Y100-I133 HydrophobicContact CD2-CG1 3.84Å; Y100-I133 HydrophobicContact CE1-CG1 4.22Å; Y100-I133 HydrophobicContact CE2-CD1 4.13Å; Y100-I133 HydrophobicContact CE2-CG1 4.08Å; Y100-I133 HydrophobicContact CG-CD1 4.01Å; Y100-I133 HydrophobicContact CG-CG1 3.8Å; Y100-I133 HydrophobicContact CG-CG2 4.38Å; I128-I133 HydrophobicContact CG2-CG1 4.3Å; I128-I133 PolarHBondContact O-N 2.97Å; Y129-I133 HydrophobicContact CD2-CB 3.56Å; Y129-I133 HydrophobicContact CD2-CG1 4.17Å; Y129-I133 HydrophobicContact CD2-CG2 3.69Å; Y129-I133 HydrophobicContact CE2-CB 3.98Å; Y129-I133 HydrophobicContact CE2-CG2 3.7Å; Y129-I133 HydrophobicContact CG-CB 4.33Å; Y129-I133 PolarHBondContact O-N 3.14Å; I133-E135 VanDerWaalsContact C-N 3.26Å; I133-E135 PolarHBondContact O-N 2.87Å; I133-I136 PolarHBondContact O-N 2.87Å; I133-D137 PolarHBondContact O-N 2.9Å; I133-F191 HydrophobicContact CD1-CE2 4.45Å |
| 134 | L | 97.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -33.6 | -177.3 | -178.9 | 62.2 | 0 | 0 | 0 | 113.4 | W89 V91 Y129 I136 G138 | W89-L134 HydrophobicContact CB-CD1 4.06Å; W89-L134 HydrophobicContact CB-CD2 4.31Å; W89-L134 VanDerWaalsContact CD1-CD2 3.42Å; W89-L134 HydrophobicContact CG-CD1 4.46Å; W89-L134 HydrophobicContact CG-CD2 3.89Å; V91-L134 HydrophobicContact CB-CD1 3.67Å; V91-L134 HydrophobicContact CG1-CD1 4.14Å; V91-L134 HydrophobicContact CG2-CD1 3.76Å; Y129-L134 HydrophobicContact CD1-CB 4.42Å; Y129-L134 HydrophobicContact CE1-CB 4.12Å; Y129-L134 HydrophobicContact CE1-CD1 4.02Å; Y129-L134 VanDerWaalsContact O-CB 3.29Å; Y129-L134 WeakPolarHBondContact O-CB 3.15Å; Y129-L134 PolarHBondContact O-N 3.02Å; L134-I136 VanDerWaalsContact C-N 3.35Å; L134-G138 PolarHBondContact O-N 2.93Å |
| 135 | E | 97.1 | Very high | 96.5 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 174.7 | -178.5 | 179.1 | 131.9 | 0 | 0 | 110.8 | I133 G138 Q139 S157 | I133-E135 VanDerWaalsContact C-N 3.26Å; I133-E135 PolarHBondContact O-N 2.87Å; E135-G138 PolarHBondContact O-N 2.85Å; E135-Q139 HydrophobicContact CG-CG 4.35Å; E135-Q139 WeakPolarHBondContact O-CB 3.41Å; E135-Q139 VanDerWaalsContact O-CG 3.24Å; E135-Q139 WeakPolarHBondContact O-CG 3.25Å; E135-Q139 PolarHBondContact O-N 2.82Å; E135-S157 WeakPolarHBondContact OE1-CB 3.33Å |
| 136 | I | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.3 | -46.2 | -179.1 | -65.4 | 165.3 | 0 | 0 | 0 | 109.9 | D21 L24 A96 F132 I133 L134 G138 Q139 D140 L158 | D21-I136 HydrophobicContact CB-CG2 4.33Å; L24-I136 HydrophobicContact CB-CD1 4.42Å; L24-I136 HydrophobicContact CD2-CD1 3.3Å; L24-I136 HydrophobicContact CG-CD1 4.41Å; A96-I136 HydrophobicContact CB-CG2 4.37Å; F132-I136 HydrophobicContact CD1-CD1 4.02Å; F132-I136 HydrophobicContact CE1-CD1 3.86Å; I133-I136 PolarHBondContact O-N 2.87Å; L134-I136 VanDerWaalsContact C-N 3.35Å; I136-G138 VanDerWaalsContact C-N 3.28Å; I136-G138 PolarHBondContact O-N 2.89Å; I136-Q139 PolarHBondContact O-N 2.87Å; I136-D140 VanDerWaalsContact O-CB 3.25Å; I136-D140 WeakPolarHBondContact O-CB 3.48Å; I136-D140 PolarHBondContact O-N 3.23Å; I136-L158 HydrophobicContact CD1-CD2 4.37Å |
| 137 | D | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.3 | -49.5 | 172.2 | -81 | -17.9 | 0 | 0 | 0 | 111.3 | V91 K92 L93 S94 G97 Y129 I133 N141 | V91-D137 HydrophobicContact CG1-CB 4.04Å; K92-D137 WeakPolarHBondContact O-CB 3.26Å; L93-D137 WeakPolarHBondContact CD2-OD2 3.37Å; S94-D137 PolarHBondContact N-OD1 3.23Å; S94-D137 PolarHBondContact OG-OD1 2.61Å; G97-D137 WeakPolarHBondContact CA-OD1 3.21Å; G97-D137 PolarHBondContact N-OD1 2.93Å; Y129-D137 VanDerWaalsContact CE2-OD2 3.23Å; Y129-D137 WeakPolarHBondContact CE2-OD2 3.43Å; Y129-D137 VanDerWaalsContact CZ-OD2 3.31Å; Y129-D137 PolarHBondContact OH-OD2 3.05Å; I133-D137 PolarHBondContact O-N 2.9Å; D137-N141 WeakPolarHBondContact O-CB 3.34Å; D137-N141 PolarHBondContact O-N 3.42Å; D137-N141 VanDerWaalsContact O-N 3.11Å; D137-N141 PolarHBondContact O-ND2 3.12Å |
| 138 | G | 97.3 | Very high | 96 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -43.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L134 E135 I136 G142 I143 | L134-G138 PolarHBondContact O-N 2.93Å; E135-G138 PolarHBondContact O-N 2.85Å; I136-G138 VanDerWaalsContact C-N 3.28Å; I136-G138 PolarHBondContact O-N 2.89Å; G138-G142 PolarHBondContact O-N 2.8Å; G138-I143 WeakPolarHBondContact O-CB 3.29Å; G138-I143 PolarHBondContact O-N 2.75Å |
| 139 | Q | 95.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 178.5 | -73.7 | -68.2 | -43.4 | 0 | 0 | 111.4 | E135 I136 G142 Y159 | E135-Q139 HydrophobicContact CG-CG 4.35Å; E135-Q139 WeakPolarHBondContact O-CB 3.41Å; E135-Q139 VanDerWaalsContact O-CG 3.24Å; E135-Q139 WeakPolarHBondContact O-CG 3.25Å; E135-Q139 PolarHBondContact O-N 2.82Å; I136-Q139 PolarHBondContact O-N 2.87Å; Q139-G142 PolarHBondContact O-N 3.32Å; Q139-Y159 HydrophobicContact CB-CD1 4.48Å; Q139-Y159 HydrophobicContact CB-CD2 3.88Å; Q139-Y159 HydrophobicContact CB-CE2 4.21Å; Q139-Y159 HydrophobicContact CB-CG 4.05Å; Q139-Y159 HydrophobicContact CG-CG 4.27Å |
| 140 | D | 97.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.5 | -42.9 | -174.5 | -167.1 | 80.1 | 0 | 0 | 0 | 112 | D21 H71 I136 G142 | D21-D140 HydrophobicContact CB-CB 4.15Å; D21-D140 WeakPolarHBondContact CB-OD1 3.37Å; H71-D140 IonicContact CE1-OD2 3.74Å; H71-D140 PolarHBondContact CE1-OD2 2.85Å; H71-D140 IonicContact NE2-OD2 2.71Å; H71-D140 PolarHBondContact NE2-OD2 3.43Å; I136-D140 VanDerWaalsContact O-CB 3.25Å; I136-D140 WeakPolarHBondContact O-CB 3.48Å; I136-D140 PolarHBondContact O-N 3.23Å; D140-G142 PolarHBondContact O-N 3.3Å; D140-G142 VanDerWaalsContact O-N 3.09Å |
| 141 | N | 97.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 71.5 Ų | 71.5 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 4.6 | 173.8 | -72.9 | -85.3 | 0 | 0 | 0 | 114.1 | H71 K92 L93 S94 D137 I143 | H71-N141 PolarHBondContact ND1-OD1 2.71Å; K92-N141 HydrophobicContact CB-CB 4.2Å; K92-N141 WeakPolarHBondContact CB-OD1 3.33Å; K92-N141 PolarHBondContact O-ND2 3.17Å; L93-N141 PolarHBondContact O-ND2 3.17Å; S94-N141 PolarHBondContact N-ND2 3.34Å; D137-N141 WeakPolarHBondContact O-CB 3.34Å; D137-N141 PolarHBondContact O-N 3.42Å; D137-N141 VanDerWaalsContact O-N 3.11Å; D137-N141 PolarHBondContact O-ND2 3.12Å; N141-I143 VanDerWaalsContact C-N 3.27Å; N141-I143 HydrophobicContact CB-CD1 4.4Å; N141-I143 HydrophobicContact CB-CG1 3.91Å; N141-I143 PolarHBondContact O-N 3.41Å |
| 142 | G | 94.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 76.6 Ų | 76.6 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 28.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | G138 Q139 D140 | G138-G142 PolarHBondContact O-N 2.8Å; Q139-G142 PolarHBondContact O-N 3.32Å; D140-G142 PolarHBondContact O-N 3.3Å; D140-G142 VanDerWaalsContact O-N 3.09Å |
| 143 | I | 94.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 82.5 Ų | 82.5 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | trans | -78.3 | 124.8 | -178.8 | -57 | -60 | 0 | 0 | 0 | 109.9 | V91 G138 N141 Q145 | V91-I143 HydrophobicContact CG1-CG1 4.27Å; G138-I143 WeakPolarHBondContact O-CB 3.29Å; G138-I143 PolarHBondContact O-N 2.75Å; N141-I143 VanDerWaalsContact C-N 3.27Å; N141-I143 HydrophobicContact CB-CD1 4.4Å; N141-I143 HydrophobicContact CB-CG1 3.91Å; N141-I143 PolarHBondContact O-N 3.41Å; I143-Q145 PolarHBondContact O-N 2.81Å | ||
| 144 | A | 92.8 | Very high | 94.9 | Very high | 79 Ų | 79 | 86.9 Ų | 86.9 | 65% | 0.653 | 46% | 0.463 | S | S | * | . | trans | -64.7 | 127.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | S146 | A144-S146 PolarHBondContact O-N 3.18Å; A144-S146 VanDerWaalsContact O-N 3.12Å | ||
| 145 | Q | 91.7 | Very high | 94.7 | Very high | 136 Ų | 136 | 87.4 Ų | 87.4 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -59.7 | -23.7 | 177.2 | -170.8 | -179.7 | 7.6 | 0 | 0 | 113.2 | I143 L150 | I143-Q145 PolarHBondContact O-N 2.81Å; Q145-L150 HydrophobicContact CB-CD1 4.41Å |
| 146 | S | 92.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 88.2 Ų | 88.2 | 31% | 0.308 | 49% | 0.488 | S | S | . | . | trans | -148.1 | 146.7 | -177.7 | 170.4 | 0 | 0 | 0 | 0 | 111 | A144 V148 | A144-S146 PolarHBondContact O-N 3.18Å; A144-S146 VanDerWaalsContact O-N 3.12Å; S146-V148 VanDerWaalsContact CB-O 3.26Å; S146-V148 WeakPolarHBondContact CB-O 3.41Å; S146-V148 PolarHBondContact O-N 3.07Å; S146-V148 VanDerWaalsContact OG-CG2 3.32Å; S146-V148 WeakPolarHBondContact OG-CG2 3.24Å; S146-V148 PolarHBondContact OG-N 3.21Å; S146-V148 PolarHBondContact OG-O 3.33Å | ||
| 147 | K | 92.4 | Very high | 94.5 | Very high | 220 Ų | 220 | 88.9 Ų | 88.9 | 96% | 0.957 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -72.6 | -16.9 | 171.4 | -64.6 | -176.6 | 179.3 | -179 | 0 | 113 | ||
| 148 | V | 94 | Very high | 94.5 | Very high | 101 Ų | 101 | 89.6 Ų | 89.6 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -115.6 | 151.8 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | S146 L150 | S146-V148 VanDerWaalsContact CB-O 3.26Å; S146-V148 WeakPolarHBondContact CB-O 3.41Å; S146-V148 PolarHBondContact O-N 3.07Å; S146-V148 VanDerWaalsContact OG-CG2 3.32Å; S146-V148 WeakPolarHBondContact OG-CG2 3.24Å; S146-V148 PolarHBondContact OG-N 3.21Å; S146-V148 PolarHBondContact OG-O 3.33Å; V148-L150 PolarHBondContact O-N 3.04Å |
| 149 | P | 92.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 91 Ų | 91 | 82% | 0.818 | 50% | 0.499 | S | S | * | . | trans | -53.7 | 135.3 | 179 | -26.7 | 35 | 0 | 0 | 0 | 112.5 | ||||
| 150 | L | 93.8 | Very high | 94.5 | Very high | 77 Ų | 77 | 87.9 Ų | 87.9 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | trans | -71.8 | 145.7 | 174.7 | -61.8 | 176.1 | 0 | 0 | 0 | 110.3 | Q145 V148 Y152 | Q145-L150 HydrophobicContact CB-CD1 4.41Å; V148-L150 PolarHBondContact O-N 3.04Å; L150-Y152 WeakPolarHBondContact CB-O 3.24Å | ||
| 151 | K | 95.5 | Very high | 94.5 | Very high | 211 Ų | 211 | 89.5 Ų | 89.5 | 92% | 0.917 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -75.6 | -24.7 | 175.4 | -70 | -174.5 | 176.5 | -177.9 | 0 | 113.2 | ||
| 152 | Y | 95.5 | Very high | 94.6 | Very high | 170 Ų | 170 | 87.7 Ų | 87.7 | 67% | 0.667 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -151.6 | 157.8 | 177.3 | 59.1 | -91.4 | 0 | 0 | 0 | 109.2 | L150 | L150-Y152 WeakPolarHBondContact CB-O 3.24Š|
| 153 | N | 91.6 | Very high | 94.7 | Very high | 141 Ų | 141 | 91.5 Ų | 91.5 | 75% | 0.754 | 47% | 0.473 | S | S | * | . | trans | -107 | 145.1 | 178.6 | -66 | -53 | 0 | 0 | 0 | 110.8 | ||||
| 154 | I | 92 | Very high | 94.7 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | trans | -89.2 | 109.8 | 174.3 | -60 | 173.1 | 0 | 0 | 0 | 108.6 | ||||
| 155 | G | 93.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 91.9 Ų | 91.9 | 45% | 0.454 | 46% | 0.455 | S | S | . | . | trans | -93.6 | -1.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C160 R164 | G155-C160 WeakPolarHBondContact O-CB 3.32Å; G155-R164 PolarHBondContact O-NH1 3.12Å | ||
| 156 | T | 95.8 | Very high | 95 | Very high | 109 Ų | 109 | 86.2 Ų | 86.2 | 67% | 0.669 | 43% | 0.43 | S | S | * | . | trans | -116.8 | 6.7 | -167.8 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | R161 | T156-R161 WeakPolarHBondContact O-CD 3.33Š| ||
| 157 | S | 95.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 86 Ų | 86 | 12% | 0.119 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -56.8 | 160.4 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 113 | E135 Y159 C160 R161 | E135-S157 WeakPolarHBondContact OE1-CB 3.33Å; S157-Y159 PolarHBondContact O-N 3.08Å; S157-C160 WeakPolarHBondContact O-CB 3.42Å; S157-C160 PolarHBondContact O-N 2.93Å; S157-C160 VanDerWaalsContact O-N 3.09Å; S157-C160 PolarHBondContact OG-N 3.35Å; S157-C160 PolarHBondContact OG-SG 3.04Å; S157-R161 WeakPolarHBondContact O-CG 3.3Å; S157-R161 PolarHBondContact O-N 2.88Å |
| 158 | L | 98.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 174.7 | -177.1 | 61 | 0 | 0 | 0 | 110.7 | F132 I136 C160 R161 V162 L186 V187 E190 | F132-L158 HydrophobicContact CE1-CD2 3.81Å; F132-L158 HydrophobicContact CE2-CD2 4.24Å; F132-L158 HydrophobicContact CZ-CD2 3.42Å; F132-L158 VanDerWaalsContact CZ-CD2 3.42Å; I136-L158 HydrophobicContact CD1-CD2 4.37Å; L158-C160 PolarHBondContact O-N 3.32Å; L158-R161 WeakPolarHBondContact O-CB 3.33Å; L158-R161 PolarHBondContact O-N 3.32Å; L158-R161 VanDerWaalsContact O-N 3.07Å; L158-V162 HydrophobicContact CD1-CG2 4.39Å; L158-V162 WeakPolarHBondContact O-CG2 3.34Å; L158-V162 PolarHBondContact O-N 2.72Å; L158-L186 HydrophobicContact CD1-CD1 4.48Å; L158-L186 HydrophobicContact CD1-CD2 4.36Å; L158-L186 HydrophobicContact CD1-CG 4.07Å; L158-V187 HydrophobicContact CD1-CG2 4.16Å; L158-V187 HydrophobicContact CD2-CG1 4.42Å; L158-V187 HydrophobicContact CD2-CG2 4.29Å; L158-V187 HydrophobicContact CG-CG2 4.34Å; L158-E190 HydrophobicContact CD1-CB 4.19Å; L158-E190 HydrophobicContact CD1-CG 4.26Å; L158-E190 HydrophobicContact CD2-CB 4.34Å; L158-E190 HydrophobicContact CD2-CG 4.28Å |
| 159 | Y | 96.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 90.9 Ų | 90.9 | 15% | 0.153 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53.3 | -50.1 | 173.4 | -176.5 | -90.7 | 0 | 0 | 0 | 112.5 | C20 Q139 S157 R161 V162 R163 | C20-Y159 HydrophobicContact CB-CD2 3.71Å; C20-Y159 HydrophobicContact CB-CG 4.38Å; Q139-Y159 HydrophobicContact CB-CD1 4.48Å; Q139-Y159 HydrophobicContact CB-CD2 3.88Å; Q139-Y159 HydrophobicContact CB-CE2 4.21Å; Q139-Y159 HydrophobicContact CB-CG 4.05Å; Q139-Y159 HydrophobicContact CG-CG 4.27Å; S157-Y159 PolarHBondContact O-N 3.08Å; Y159-R161 VanDerWaalsContact C-N 3.33Å; Y159-R161 PolarHBondContact O-N 3.47Å; Y159-V162 PolarHBondContact O-N 3.12Å; Y159-R163 WeakPolarHBondContact O-CB 3.47Å; Y159-R163 PolarHBondContact O-N 2.93Å |
| 160 | C | 97.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 89.4 Ų | 89.4 | 9% | 0.088 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64 | -35.7 | 177.1 | -74.9 | 0 | 0 | 0 | 0 | 113 | G155 S157 L158 R164 | G155-C160 WeakPolarHBondContact O-CB 3.32Å; S157-C160 WeakPolarHBondContact O-CB 3.42Å; S157-C160 PolarHBondContact O-N 2.93Å; S157-C160 VanDerWaalsContact O-N 3.09Å; S157-C160 PolarHBondContact OG-N 3.35Å; S157-C160 PolarHBondContact OG-SG 3.04Å; L158-C160 PolarHBondContact O-N 3.32Å; C160-R164 WeakPolarHBondContact O-CG 3.29Å; C160-R164 PolarHBondContact O-N 3.37Å; C160-R164 PolarHBondContact O-NH1 3.28Å |
| 161 | R | 98.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 88.8 Ų | 88.8 | 25% | 0.249 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 178.5 | -68.6 | 166.1 | 70.5 | -163.5 | -0.3 | 111.3 | T156 S157 L158 Y159 R164 L186 R189 E190 | T156-R161 WeakPolarHBondContact O-CD 3.33Å; S157-R161 WeakPolarHBondContact O-CG 3.3Å; S157-R161 PolarHBondContact O-N 2.88Å; L158-R161 WeakPolarHBondContact O-CB 3.33Å; L158-R161 PolarHBondContact O-N 3.32Å; L158-R161 VanDerWaalsContact O-N 3.07Å; Y159-R161 VanDerWaalsContact C-N 3.33Å; Y159-R161 PolarHBondContact O-N 3.47Å; R161-R164 PolarHBondContact O-N 3.09Å; R161-L186 HydrophobicContact CB-CD2 3.82Å; R161-R189 VanDerWaalsContact NH2-NH2 3.2Å; R161-E190 IonicContact CZ-OE2 2.78Å; R161-E190 IonicContact NH1-OE1 3.06Å; R161-E190 IonicContact NH1-OE2 3.75Å; R161-E190 PolarHBondContact NH1-OE2 3.33Å; R161-E190 IonicContact NH2-OE2 3.14Å |
| 162 | V | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | F18 H19 C20 V23 L158 Y159 R164 L165 A183 L186 V187 | F18-V162 HydrophobicContact CD2-CG1 3.82Å; F18-V162 HydrophobicContact CE2-CG1 3.89Å; H19-V162 WeakPolarHBondContact O-CG1 3.4Å; C20-V162 HydrophobicContact CB-CB 4.2Å; C20-V162 HydrophobicContact CB-CG1 4.38Å; C20-V162 HydrophobicContact CB-CG2 4.25Å; V23-V162 HydrophobicContact CG2-CG1 4.34Å; L158-V162 HydrophobicContact CD1-CG2 4.39Å; L158-V162 WeakPolarHBondContact O-CG2 3.34Å; L158-V162 PolarHBondContact O-N 2.72Å; Y159-V162 PolarHBondContact O-N 3.12Å; V162-R164 PolarHBondContact O-N 2.66Å; V162-R164 VanDerWaalsContact O-N 3.15Å; V162-L165 WeakPolarHBondContact O-CB 3.27Å; V162-L165 PolarHBondContact O-N 2.81Å; V162-A183 HydrophobicContact CG1-CB 4.15Å; V162-L186 HydrophobicContact CG2-CD2 4.06Å; V162-V187 HydrophobicContact CG2-CG2 3.47Å; V162-V187 VanDerWaalsContact CG2-CG2 3.47Å |
| 163 | R | 96.1 | Very high | 90.7 | Very high | 146 Ų | 146 | 83.5 Ų | 83.5 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -53.6 | -39.4 | 177.8 | -170.9 | -179.2 | 73.6 | -170.3 | 1.9 | 112.8 | Y159 L165 N166 | Y159-R163 WeakPolarHBondContact O-CB 3.47Å; Y159-R163 PolarHBondContact O-N 2.93Å; R163-L165 PolarHBondContact O-N 3.46Å; R163-N166 WeakPolarHBondContact O-CB 3.38Å; R163-N166 PolarHBondContact O-N 3.19Å; R163-N166 PolarHBondContact O-ND2 3.46Å |
| 164 | R | 95.6 | Very high | 89.3 | Confident | 132 Ų | 132 | 85.1 Ų | 85.1 | 50% | 0.498 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -14.3 | 178.7 | -77 | -172.2 | -65.4 | -93.8 | 8 | 114.6 | G155 C160 R161 V162 | G155-R164 PolarHBondContact O-NH1 3.12Å; C160-R164 WeakPolarHBondContact O-CG 3.29Å; C160-R164 PolarHBondContact O-N 3.37Å; C160-R164 PolarHBondContact O-NH1 3.28Å; R161-R164 PolarHBondContact O-N 3.09Å; V162-R164 PolarHBondContact O-N 2.66Å; V162-R164 VanDerWaalsContact O-N 3.15Å |
| 165 | L | 95.9 | Very high | 88.5 | Confident | 30 Ų | 30 | 85.4 Ų | 85.4 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -17.8 | 174.9 | -65.1 | 174 | 0 | 0 | 0 | 112.2 | F18 V162 R163 A179 R182 A183 L186 | F18-L165 HydrophobicContact CE2-CB 4.07Å; F18-L165 HydrophobicContact CZ-CB 3.88Å; V162-L165 WeakPolarHBondContact O-CB 3.27Å; V162-L165 PolarHBondContact O-N 2.81Å; R163-L165 PolarHBondContact O-N 3.46Å; L165-A179 VanDerWaalsContact O-CB 3.27Å; L165-A179 WeakPolarHBondContact O-CB 3.3Å; L165-R182 HydrophobicContact CD1-CB 4.33Å; L165-A183 HydrophobicContact CD1-CB 3.88Å; L165-L186 HydrophobicContact CD1-CB 4.37Å; L165-L186 HydrophobicContact CD1-CD2 3.79Å |
| 166 | N | 94.8 | Very high | 88.1 | Confident | 18 Ų | 18 | 84.5 Ų | 84.5 | 10% | 0.096 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -58.2 | 141.4 | 173.1 | -78 | -74.3 | 0 | 0 | 0 | 110.4 | C17 F18 R163 | C17-N166 WeakPolarHBondContact CA-OD1 3.49Å; F18-N166 WeakPolarHBondContact CD1-OD1 3.47Å; F18-N166 WeakPolarHBondContact CE1-OD1 3.39Å; F18-N166 WeakPolarHBondContact CG-OD1 3.35Å; F18-N166 PolarHBondContact N-OD1 2.97Å; F18-N166 PolarHBondContact O-ND2 3.38Å; R163-N166 WeakPolarHBondContact O-CB 3.38Å; R163-N166 PolarHBondContact O-N 3.19Å; R163-N166 PolarHBondContact O-ND2 3.46Å |
| 167 | P | 90.9 | Very high | 87.7 | Confident | 40 Ų | 40 | 83 Ų | 83 | 26% | 0.26 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 144.3 | 170.6 | -24.2 | 33.6 | 0 | 0 | 0 | 110.8 | N171 E175 | P167-N171 HydrophobicContact CB-CB 4.28Å; P167-E175 HydrophobicContact CG-CB 4.1Å |
| 168 | W | 88.2 | Confident | 87.6 | Confident | 176 Ų | 176 | 86.7 Ų | 86.7 | 67% | 0.667 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 155.5 | 171.4 | -62.1 | -12.3 | 0 | 0 | 0 | 109.9 | N170 N171 | W168-N170 WeakPolarHBondContact CB-OD1 3.28Å; W168-N170 PolarHBondContact O-N 2.98Å; W168-N171 PolarHBondContact O-N 2.72Å |
| 169 | W | 87.8 | Confident | 87.4 | Confident | 246 Ų | 246 | 86.1 Ų | 86.1 | 93% | 0.932 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.6 | -179 | 67.8 | -90 | 0 | 0 | 0 | 113.4 | ||
| 170 | N | 88.4 | Confident | 87.4 | Confident | 96 Ų | 96 | 84.3 Ų | 84.3 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 12.7 | -179.9 | 67.4 | -46.4 | 0 | 0 | 0 | 114 | W168 | W168-N170 WeakPolarHBondContact CB-OD1 3.28Å; W168-N170 PolarHBondContact O-N 2.98Å |
| 171 | N | 80.2 | Confident | 87.3 | Confident | 64 Ų | 64 | 87.2 Ų | 87.2 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -97.4 | 158.9 | 173 | -74 | 19.5 | 0 | 0 | 0 | 111.4 | P167 W168 E175 | P167-N171 HydrophobicContact CB-CB 4.28Å; W168-N171 PolarHBondContact O-N 2.72Å; N171-E175 PolarHBondContact ND2-OE2 2.85Å |
| 172 | E | 66.3 | Low | 87.3 | Confident | 164 Ų | 164 | 90.9 Ų | 90.9 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | trans | -74.4 | 149.8 | 176.4 | -63.8 | -172.7 | 177.9 | 0 | 0 | 112.6 | E174 | E172-E174 PolarHBondContact O-N 3.29Š| ||
| 173 | S | 63.8 | Low | 87.3 | Confident | 106 Ų | 106 | 90.9 Ų | 90.9 | 74% | 0.741 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.3 | -164.6 | 72.8 | 0 | 0 | 0 | 0 | 116.2 | E175 S176 | S173-E175 PolarHBondContact O-N 2.86Å; S173-E175 VanDerWaalsContact O-N 3.12Å; S173-S176 PolarHBondContact O-N 3.2Å; S173-S176 VanDerWaalsContact O-N 3.17Å |
| 174 | E | 62.3 | Low | 87.4 | Confident | 174 Ų | 174 | 84.5 Ų | 84.5 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.4 | -176.5 | -69 | -174.8 | 173.2 | 0 | 0 | 112.9 | E172 S176 | E172-E174 PolarHBondContact O-N 3.29Å; E174-S176 PolarHBondContact O-N 3.43Å |
| 175 | E | 75.8 | Confident | 87.5 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 45% | 0.453 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.3 | -16.1 | 176.3 | -63.8 | -170.8 | 157.4 | 0 | 0 | 113.8 | P167 N171 S173 E177 A179 | P167-E175 HydrophobicContact CG-CB 4.1Å; N171-E175 PolarHBondContact ND2-OE2 2.85Å; S173-E175 PolarHBondContact O-N 2.86Å; S173-E175 VanDerWaalsContact O-N 3.12Å; E175-E177 PolarHBondContact O-N 2.72Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.03Å |
| 176 | S | 83.8 | Confident | 87.7 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | -171.2 | -173.7 | 0 | 0 | 0 | 0 | 113.9 | R42 S173 E174 A179 F180 | R42-S176 PolarHBondContact NH1-O 3.47Å; R42-S176 PolarHBondContact NH1-OG 3.03Å; S173-S176 PolarHBondContact O-N 3.2Å; S173-S176 VanDerWaalsContact O-N 3.17Å; E174-S176 PolarHBondContact O-N 3.43Å; S176-A179 PolarHBondContact O-N 3.23Å; S176-F180 WeakPolarHBondContact O-CB 3.45Å; S176-F180 PolarHBondContact O-N 2.95Å |
| 177 | E | 89 | Confident | 87.8 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.1 | -44.3 | -177.4 | -171.9 | 53.1 | -143.4 | 0 | 0 | 111.4 | R42 E175 A179 F180 Q181 | R42-E177 VanDerWaalsContact CD-OE2 3.25Å; R42-E177 WeakPolarHBondContact CD-OE2 3.46Å; R42-E177 IonicContact NH1-OE2 3.57Å; E175-E177 PolarHBondContact O-N 2.72Å; E177-A179 VanDerWaalsContact C-N 3.26Å; E177-A179 PolarHBondContact O-N 2.75Å; E177-F180 WeakPolarHBondContact O-CB 3.34Å; E177-F180 PolarHBondContact O-N 2.85Å; E177-F180 VanDerWaalsContact O-N 3.09Å; E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 3.49Å; E177-Q181 PolarHBondContact OE1-NE2 3.37Å |
| 178 | T | 91.8 | Very high | 88.2 | Confident | 94 Ų | 94 | 81.9 Ų | 81.9 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.4 | -39.8 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | Q181 R182 | T178-Q181 PolarHBondContact O-N 3.44Å; T178-R182 WeakPolarHBondContact O-CG 3.27Å; T178-R182 PolarHBondContact O-N 3.33Å; T178-R182 VanDerWaalsContact O-N 3.07Å |
| 179 | A | 94.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.033 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F18 L165 E175 S176 E177 R182 A183 | F18-A179 HydrophobicContact CE1-CB 3.75Å; F18-A179 HydrophobicContact CZ-CB 3.92Å; L165-A179 VanDerWaalsContact O-CB 3.27Å; L165-A179 WeakPolarHBondContact O-CB 3.3Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.03Å; S176-A179 PolarHBondContact O-N 3.23Å; E177-A179 VanDerWaalsContact C-N 3.26Å; E177-A179 PolarHBondContact O-N 2.75Å; A179-R182 WeakPolarHBondContact O-CB 3.46Å; A179-R182 PolarHBondContact O-N 3.18Å; A179-A183 PolarHBondContact O-N 2.84Å |
| 180 | F | 96.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.4 | -167.8 | -100.8 | 0 | 0 | 0 | 111.7 | T13 F18 E22 V23 V40 S176 E177 R182 A183 I184 | T13-F180 HydrophobicContact CG2-CZ 4.23Å; F18-F180 HydrophobicContact CB-CD2 3.64Å; F18-F180 HydrophobicContact CB-CE2 3.81Å; F18-F180 HydrophobicContact CD1-CB 4.19Å; F18-F180 AromaticContact CD1-CD2 3.73Å; F18-F180 HydrophobicContact CD1-CD2 3.73Å; F18-F180 HydrophobicContact CD1-CG 4.48Å; F18-F180 HydrophobicContact CD2-CD2 4.36Å; F18-F180 HydrophobicContact CE1-CB 4.24Å; F18-F180 HydrophobicContact CE1-CD2 4.47Å; F18-F180 AromaticContact CG-CD2 3.66Å; F18-F180 HydrophobicContact CG-CD2 3.66Å; F18-F180 HydrophobicContact CG-CE2 4.27Å; E22-F180 HydrophobicContact CG-CE2 4.17Å; E22-F180 HydrophobicContact CG-CZ 4.44Å; V23-F180 HydrophobicContact CG2-CD2 4.09Å; V23-F180 HydrophobicContact CG2-CE2 3.55Å; V23-F180 HydrophobicContact CG2-CZ 4.09Å; V40-F180 HydrophobicContact CG1-CE1 3.99Å; S176-F180 WeakPolarHBondContact O-CB 3.45Å; S176-F180 PolarHBondContact O-N 2.95Å; E177-F180 WeakPolarHBondContact O-CB 3.34Å; E177-F180 PolarHBondContact O-N 2.85Å; E177-F180 VanDerWaalsContact O-N 3.09Å; F180-R182 VanDerWaalsContact C-N 3.31Å; F180-R182 PolarHBondContact O-N 3.32Å; F180-A183 WeakPolarHBondContact O-CA 3.23Å; F180-A183 WeakPolarHBondContact O-CB 3.36Å; F180-A183 PolarHBondContact O-N 3.23Å; F180-I184 HydrophobicContact CD1-CD1 3.84Å; F180-I184 HydrophobicContact CD1-CG1 4.31Å; F180-I184 HydrophobicContact CE1-CD1 3.65Å; F180-I184 HydrophobicContact CE1-CG1 4.12Å; F180-I184 PolarHBondContact O-N 2.72Å |
| 181 | Q | 96.1 | Very high | 89.7 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 174.8 | -63.3 | -54.7 | -41.9 | 0 | 0 | 112.3 | E177 T178 A183 I184 N185 | E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 3.49Å; E177-Q181 PolarHBondContact OE1-NE2 3.37Å; T178-Q181 PolarHBondContact O-N 3.44Å; Q181-A183 VanDerWaalsContact C-N 3.3Å; Q181-A183 PolarHBondContact O-N 3.05Å; Q181-I184 PolarHBondContact O-N 3.19Å; Q181-N185 PolarHBondContact O-N 2.9Å; Q181-N185 PolarHBondContact O-ND2 2.86Å |
| 182 | R | 97.3 | Very high | 90.6 | Very high | 143 Ų | 143 | 66.3 Ų | 66.3 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 172.1 | -70.4 | 167.1 | 62.5 | -163.3 | -0.2 | 111.9 | L165 T178 A179 F180 N185 L186 | L165-R182 HydrophobicContact CD1-CB 4.33Å; T178-R182 WeakPolarHBondContact O-CG 3.27Å; T178-R182 PolarHBondContact O-N 3.33Å; T178-R182 VanDerWaalsContact O-N 3.07Å; A179-R182 WeakPolarHBondContact O-CB 3.46Å; A179-R182 PolarHBondContact O-N 3.18Å; F180-R182 VanDerWaalsContact C-N 3.31Å; F180-R182 PolarHBondContact O-N 3.32Å; R182-N185 PolarHBondContact O-N 3.15Å; R182-L186 WeakPolarHBondContact O-CB 3.49Å; R182-L186 PolarHBondContact O-N 3.12Å |
| 183 | A | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F18 V23 V162 L165 A179 F180 Q181 N185 L186 V187 | F18-A183 HydrophobicContact CD2-CB 4.12Å; F18-A183 HydrophobicContact CE2-CB 3.58Å; F18-A183 HydrophobicContact CZ-CB 4.12Å; V23-A183 HydrophobicContact CG1-CB 4Å; V23-A183 HydrophobicContact CG2-CB 4.02Å; V162-A183 HydrophobicContact CG1-CB 4.15Å; L165-A183 HydrophobicContact CD1-CB 3.88Å; A179-A183 PolarHBondContact O-N 2.84Å; F180-A183 WeakPolarHBondContact O-CA 3.23Å; F180-A183 WeakPolarHBondContact O-CB 3.36Å; F180-A183 PolarHBondContact O-N 3.23Å; Q181-A183 VanDerWaalsContact C-N 3.3Å; Q181-A183 PolarHBondContact O-N 3.05Å; A183-N185 VanDerWaalsContact C-N 3.33Å; A183-N185 PolarHBondContact O-N 3.07Å; A183-L186 WeakPolarHBondContact O-CB 3.45Å; A183-L186 PolarHBondContact O-N 3.22Å; A183-V187 WeakPolarHBondContact O-CG2 3.27Å; A183-V187 PolarHBondContact O-N 2.66Å |
| 184 | I | 98.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.5 | -49.9 | 172.4 | -72.1 | 174.6 | 0 | 0 | 0 | 110.3 | V23 V26 V27 F180 Q181 L186 V187 S188 | V23-I184 HydrophobicContact CG1-CG1 4.2Å; V26-I184 HydrophobicContact CG1-CD1 3.9Å; V26-I184 HydrophobicContact CG1-CG1 4.42Å; V27-I184 HydrophobicContact CG2-CB 4.41Å; V27-I184 HydrophobicContact CG2-CG2 3.93Å; F180-I184 HydrophobicContact CD1-CD1 3.84Å; F180-I184 HydrophobicContact CD1-CG1 4.31Å; F180-I184 HydrophobicContact CE1-CD1 3.65Å; F180-I184 HydrophobicContact CE1-CG1 4.12Å; F180-I184 PolarHBondContact O-N 2.72Å; Q181-I184 PolarHBondContact O-N 3.19Å; I184-L186 VanDerWaalsContact C-N 3.32Å; I184-L186 PolarHBondContact O-N 2.86Å; I184-V187 PolarHBondContact O-N 3.48Å; I184-S188 WeakPolarHBondContact O-CB 3.32Å; I184-S188 PolarHBondContact O-N 3.28Å |
| 185 | N | 98.5 | Very high | 95.5 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 58% | 0.578 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | -179.7 | -71.7 | -30.5 | 0 | 0 | 0 | 112.5 | Q181 R182 A183 R189 | Q181-N185 PolarHBondContact O-N 2.9Å; Q181-N185 PolarHBondContact O-ND2 2.86Å; R182-N185 PolarHBondContact O-N 3.15Å; A183-N185 VanDerWaalsContact C-N 3.33Å; A183-N185 PolarHBondContact O-N 3.07Å; N185-R189 WeakPolarHBondContact O-CB 3.21Å; N185-R189 PolarHBondContact O-N 2.9Å; N185-R189 VanDerWaalsContact O-N 3.1Å |
| 186 | L | 98.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -51.4 | 176.8 | 169.5 | 64.5 | 0 | 0 | 0 | 111.7 | L158 R161 V162 L165 R182 A183 I184 E190 | L158-L186 HydrophobicContact CD1-CD1 4.48Å; L158-L186 HydrophobicContact CD1-CD2 4.36Å; L158-L186 HydrophobicContact CD1-CG 4.07Å; R161-L186 HydrophobicContact CB-CD2 3.82Å; V162-L186 HydrophobicContact CG2-CD2 4.06Å; L165-L186 HydrophobicContact CD1-CB 4.37Å; L165-L186 HydrophobicContact CD1-CD2 3.79Å; R182-L186 WeakPolarHBondContact O-CB 3.49Å; R182-L186 PolarHBondContact O-N 3.12Å; A183-L186 WeakPolarHBondContact O-CB 3.45Å; A183-L186 PolarHBondContact O-N 3.22Å; I184-L186 VanDerWaalsContact C-N 3.32Å; I184-L186 PolarHBondContact O-N 2.86Å; L186-E190 PolarHBondContact O-N 2.68Å; L186-E190 VanDerWaalsContact O-N 3.17Å |
| 187 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | -177.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | V23 L24 V27 L158 V162 A183 I184 R189 E190 F191 | V23-V187 HydrophobicContact CB-CG2 4.44Å; V23-V187 HydrophobicContact CG1-CB 3.93Å; V23-V187 HydrophobicContact CG1-CG1 4.5Å; V23-V187 HydrophobicContact CG1-CG2 3.6Å; L24-V187 HydrophobicContact CB-CG1 3.92Å; L24-V187 HydrophobicContact CD1-CG1 3.7Å; L24-V187 HydrophobicContact CG-CG1 4.4Å; V27-V187 HydrophobicContact CB-CG1 4.39Å; V27-V187 HydrophobicContact CG1-CG1 4.49Å; V27-V187 HydrophobicContact CG2-CB 4.22Å; V27-V187 HydrophobicContact CG2-CG1 4.13Å; L158-V187 HydrophobicContact CD1-CG2 4.16Å; L158-V187 HydrophobicContact CD2-CG1 4.42Å; L158-V187 HydrophobicContact CD2-CG2 4.29Å; L158-V187 HydrophobicContact CG-CG2 4.34Å; V162-V187 HydrophobicContact CG2-CG2 3.47Å; V162-V187 VanDerWaalsContact CG2-CG2 3.47Å; A183-V187 WeakPolarHBondContact O-CG2 3.27Å; A183-V187 PolarHBondContact O-N 2.66Å; I184-V187 PolarHBondContact O-N 3.48Å; V187-R189 PolarHBondContact O-N 3.46Å; V187-E190 PolarHBondContact O-N 3.43Å; V187-F191 VanDerWaalsContact O-CB 3.3Å; V187-F191 WeakPolarHBondContact O-CB 3.39Å; V187-F191 PolarHBondContact O-N 2.7Å |
| 188 | S | 98.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -50.7 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | Y31 I184 F191 L192 | Y31-S188 PolarHBondContact OH-O 2.98Å; Y31-S188 PolarHBondContact OH-OG 2.88Å; I184-S188 WeakPolarHBondContact O-CB 3.32Å; I184-S188 PolarHBondContact O-N 3.28Å; S188-F191 PolarHBondContact O-N 3.37Å; S188-L192 WeakPolarHBondContact O-CG 3.29Å; S188-L192 PolarHBondContact O-N 3.03Å |
| 189 | R | 98.6 | Very high | 97.9 | Very high | 131 Ų | 131 | 47.2 Ų | 47.2 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -49.1 | 178 | -171.7 | -168.2 | 71.3 | -171.6 | 6.9 | 111.9 | R161 N185 V187 F191 L192 D193 | R161-R189 VanDerWaalsContact NH2-NH2 3.2Å; N185-R189 WeakPolarHBondContact O-CB 3.21Å; N185-R189 PolarHBondContact O-N 2.9Å; N185-R189 VanDerWaalsContact O-N 3.1Å; V187-R189 PolarHBondContact O-N 3.46Å; R189-F191 VanDerWaalsContact C-N 3.28Å; R189-F191 PolarHBondContact O-N 2.9Å; R189-L192 PolarHBondContact O-N 2.8Å; R189-D193 VanDerWaalsContact O-CG 3.29Å; R189-D193 PolarHBondContact O-N 3.19Å |
| 190 | E | 98.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | -179.2 | -160.9 | 82.6 | -167.6 | 0 | 0 | 111.5 | F132 L158 R161 L186 V187 T194 | F132-E190 HydrophobicContact CE2-CB 4.18Å; F132-E190 HydrophobicContact CE2-CG 3.78Å; F132-E190 HydrophobicContact CZ-CB 4.2Å; F132-E190 HydrophobicContact CZ-CG 4.17Å; L158-E190 HydrophobicContact CD1-CB 4.19Å; L158-E190 HydrophobicContact CD1-CG 4.26Å; L158-E190 HydrophobicContact CD2-CB 4.34Å; L158-E190 HydrophobicContact CD2-CG 4.28Å; R161-E190 IonicContact CZ-OE2 2.78Å; R161-E190 IonicContact NH1-OE1 3.06Å; R161-E190 IonicContact NH1-OE2 3.75Å; R161-E190 PolarHBondContact NH1-OE2 3.33Å; R161-E190 IonicContact NH2-OE2 3.14Å; L186-E190 PolarHBondContact O-N 2.68Å; L186-E190 VanDerWaalsContact O-N 3.17Å; V187-E190 PolarHBondContact O-N 3.43Å; E190-T194 WeakPolarHBondContact O-CB 3.42Å; E190-T194 PolarHBondContact O-N 2.83Å; E190-T194 VanDerWaalsContact O-N 3.08Å; E190-T194 PolarHBondContact O-OG1 2.82Å |
| 191 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 176.5 | -177 | -105.2 | 0 | 0 | 0 | 111.8 | L24 L28 Y31 V107 L108 L111 I128 F132 I133 V187 S188 R189 T194 V195 | L24-F191 HydrophobicContact CD1-CD2 4.33Å; L28-F191 HydrophobicContact CD2-CD1 4.46Å; L28-F191 HydrophobicContact CD2-CD2 4.43Å; L28-F191 HydrophobicContact CD2-CE1 3.78Å; L28-F191 HydrophobicContact CD2-CE2 3.76Å; L28-F191 HydrophobicContact CD2-CZ 3.39Å; Y31-F191 HydrophobicContact CD2-CD1 4.35Å; Y31-F191 HydrophobicContact CD2-CE1 4.33Å; Y31-F191 AromaticContact CE2-CD1 3.8Å; Y31-F191 HydrophobicContact CE2-CD1 3.8Å; Y31-F191 HydrophobicContact CE2-CE1 4.22Å; V107-F191 HydrophobicContact CG1-CE1 3.93Å; V107-F191 HydrophobicContact CG1-CZ 4.25Å; L108-F191 HydrophobicContact CD2-CZ 4.38Å; L111-F191 HydrophobicContact CD1-CD1 4.34Å; L111-F191 HydrophobicContact CD1-CE1 3.74Å; I128-F191 HydrophobicContact CG2-CE2 3.83Å; I128-F191 HydrophobicContact CG2-CZ 4.48Å; F132-F191 HydrophobicContact CD1-CD2 4.28Å; F132-F191 HydrophobicContact CE1-CB 4.45Å; F132-F191 HydrophobicContact CE1-CD2 4.12Å; F132-F191 HydrophobicContact CZ-CB 4.01Å; F132-F191 HydrophobicContact CZ-CD2 4.35Å; I133-F191 HydrophobicContact CD1-CE2 4.45Å; V187-F191 VanDerWaalsContact O-CB 3.3Å; V187-F191 WeakPolarHBondContact O-CB 3.39Å; V187-F191 PolarHBondContact O-N 2.7Å; S188-F191 PolarHBondContact O-N 3.37Å; R189-F191 VanDerWaalsContact C-N 3.28Å; R189-F191 PolarHBondContact O-N 2.9Å; F191-T194 WeakPolarHBondContact O-CB 3.4Å; F191-T194 PolarHBondContact O-N 3.07Å; F191-V195 HydrophobicContact CD1-CG2 4.21Å; F191-V195 HydrophobicContact CE1-CG2 3.82Å; F191-V195 HydrophobicContact CE2-CG2 4.18Å; F191-V195 HydrophobicContact CZ-CG2 3.79Å; F191-V195 WeakPolarHBondContact O-CG2 3.38Å; F191-V195 PolarHBondContact O-N 3.42Å |
| 192 | L | 98.5 | Very high | 98.2 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.6 | -75.2 | 172 | 0 | 0 | 0 | 112.3 | Y31 L111 S188 R189 T194 V195 D196 | Y31-L192 HydrophobicContact CE1-CD1 4.3Å; Y31-L192 HydrophobicContact CE1-CD2 3.88Å; Y31-L192 HydrophobicContact CE1-CG 4.3Å; Y31-L192 WeakPolarHBondContact OH-CD1 3.39Å; Y31-L192 WeakPolarHBondContact OH-CG 3.23Å; L111-L192 HydrophobicContact CD1-CD2 4.06Å; L111-L192 HydrophobicContact CD2-CD2 3.6Å; L111-L192 HydrophobicContact CG-CD2 4.45Å; S188-L192 WeakPolarHBondContact O-CG 3.29Å; S188-L192 PolarHBondContact O-N 3.03Å; R189-L192 PolarHBondContact O-N 2.8Å; L192-T194 PolarHBondContact O-N 3.4Å; L192-V195 PolarHBondContact O-N 2.94Å; L192-D196 WeakPolarHBondContact O-CB 3.39Å; L192-D196 PolarHBondContact O-N 3.32Å |
| 193 | D | 98.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.5 | -36.6 | 178.5 | -67.9 | -18.2 | 0 | 0 | 0 | 110.7 | R189 Y197 | R189-D193 VanDerWaalsContact O-CG 3.29Å; R189-D193 PolarHBondContact O-N 3.19Å; D193-Y197 VanDerWaalsContact O-CB 3.29Å; D193-Y197 WeakPolarHBondContact O-CB 3.44Å; D193-Y197 PolarHBondContact O-N 2.91Å |
| 194 | T | 98.4 | Very high | 98.1 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.7 | -46 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | I128 F132 E190 F191 L192 Y197 F198 | I128-T194 HydrophobicContact CD1-CG2 3.71Å; F132-T194 HydrophobicContact CB-CG2 4.43Å; F132-T194 HydrophobicContact CD2-CG2 3.83Å; F132-T194 WeakPolarHBondContact CD2-OG1 3.32Å; F132-T194 WeakPolarHBondContact CE2-OG1 3.26Å; E190-T194 WeakPolarHBondContact O-CB 3.42Å; E190-T194 PolarHBondContact O-N 2.83Å; E190-T194 VanDerWaalsContact O-N 3.08Å; E190-T194 PolarHBondContact O-OG1 2.82Å; F191-T194 WeakPolarHBondContact O-CB 3.4Å; F191-T194 PolarHBondContact O-N 3.07Å; L192-T194 PolarHBondContact O-N 3.4Å; T194-Y197 PolarHBondContact O-N 3.05Å; T194-F198 HydrophobicContact CG2-CD2 3.8Å; T194-F198 HydrophobicContact CG2-CE2 3.66Å; T194-F198 WeakPolarHBondContact O-CD2 3.47Å; T194-F198 PolarHBondContact O-N 3.09Å |
| 195 | V | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 111 | L108 L111 T112 I128 F191 L192 F198 T199 | L108-V195 HydrophobicContact CD2-CB 4.4Å; L108-V195 HydrophobicContact CD2-CG1 3.89Å; L108-V195 HydrophobicContact CD2-CG2 3.54Å; L111-V195 HydrophobicContact CB-CG1 4.22Å; L111-V195 HydrophobicContact CD1-CG1 4.32Å; L111-V195 HydrophobicContact CD1-CG2 4.29Å; T112-V195 HydrophobicContact CG2-CG1 4.01Å; I128-V195 HydrophobicContact CD1-CB 4.46Å; I128-V195 HydrophobicContact CD1-CG2 3.8Å; I128-V195 HydrophobicContact CG1-CG2 4.44Å; F191-V195 HydrophobicContact CD1-CG2 4.21Å; F191-V195 HydrophobicContact CE1-CG2 3.82Å; F191-V195 HydrophobicContact CE2-CG2 4.18Å; F191-V195 HydrophobicContact CZ-CG2 3.79Å; F191-V195 WeakPolarHBondContact O-CG2 3.38Å; F191-V195 PolarHBondContact O-N 3.42Å; L192-V195 PolarHBondContact O-N 2.94Å; V195-F198 PolarHBondContact O-N 3.29Å; V195-T199 VanDerWaalsContact O-CB 3.3Å; V195-T199 WeakPolarHBondContact O-CB 3.42Å; V195-T199 PolarHBondContact O-N 3.39Å; V195-T199 PolarHBondContact O-OG1 3.32Å |
| 196 | D | 98.2 | Very high | 98 | Very high | 90 Ų | 90 | 45.8 Ų | 45.8 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.7 | -171.8 | 61.7 | 0 | 0 | 0 | 111.1 | L192 F198 T199 N200 | L192-D196 WeakPolarHBondContact O-CB 3.39Å; L192-D196 PolarHBondContact O-N 3.32Å; D196-F198 PolarHBondContact O-N 3.01Å; D196-T199 PolarHBondContact O-N 3.19Å; D196-N200 WeakPolarHBondContact O-CB 3.2Å; D196-N200 PolarHBondContact O-N 3.36Å; D196-N200 PolarHBondContact OD1-ND2 2.91Å |
| 197 | Y | 98.4 | Very high | 98 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -55.5 | -50.1 | 174.4 | 171.8 | -101.7 | 0 | 0 | 0 | 111.7 | D193 T194 T199 C201 W202 | D193-Y197 VanDerWaalsContact O-CB 3.29Å; D193-Y197 WeakPolarHBondContact O-CB 3.44Å; D193-Y197 PolarHBondContact O-N 2.91Å; T194-Y197 PolarHBondContact O-N 3.05Å; Y197-T199 VanDerWaalsContact C-N 3.31Å; Y197-T199 PolarHBondContact O-N 3.3Å; Y197-C201 HydrophobicContact CD2-CB 3.86Å; Y197-C201 HydrophobicContact CE2-CB 4.12Å; Y197-C201 CarbonylContact O-C 3.48Å; Y197-C201 WeakPolarHBondContact O-CA 3.38Å; Y197-C201 WeakPolarHBondContact O-CB 3.32Å; Y197-C201 PolarHBondContact O-N 3.16Å; Y197-W202 HydrophobicContact CD1-CB 4.34Å; Y197-W202 HydrophobicContact CE1-CB 3.92Å; Y197-W202 HydrophobicContact CE1-CG 4.42Å; Y197-W202 PolarHBondContact O-N 3.32Å |
| 198 | F | 98.2 | Very high | 98 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -67.5 | -34.5 | -177 | -79.6 | -64.1 | 0 | 0 | 0 | 113 | I124 K127 I128 S131 T194 V195 D196 W202 W203 | I124-F198 HydrophobicContact CG2-CB 4.19Å; K127-F198 HydrophobicContact CB-CD1 3.88Å; K127-F198 HydrophobicContact CB-CE1 3.88Å; K127-F198 HydrophobicContact CB-CG 4.28Å; K127-F198 HydrophobicContact CB-CZ 4.26Å; K127-F198 HydrophobicContact CD-CE1 4.25Å; K127-F198 HydrophobicContact CG-CD1 4.4Å; K127-F198 HydrophobicContact CG-CE1 4.33Å; I128-F198 HydrophobicContact CD1-CD2 3.54Å; I128-F198 HydrophobicContact CD1-CE2 4.24Å; I128-F198 HydrophobicContact CD1-CG 4.41Å; I128-F198 HydrophobicContact CG1-CD2 4.28Å; S131-F198 WeakPolarHBondContact OG-CZ 3.32Å; T194-F198 HydrophobicContact CG2-CD2 3.8Å; T194-F198 HydrophobicContact CG2-CE2 3.66Å; T194-F198 WeakPolarHBondContact O-CD2 3.47Å; T194-F198 PolarHBondContact O-N 3.09Å; V195-F198 PolarHBondContact O-N 3.29Å; D196-F198 PolarHBondContact O-N 3.01Å; F198-W202 HydrophobicContact CD1-CB 3.77Å; F198-W202 AromaticContact CD1-CD2 3.63Å; F198-W202 HydrophobicContact CD1-CD2 3.63Å; F198-W202 AromaticContact CD1-CE3 3.81Å; F198-W202 HydrophobicContact CD1-CE3 3.81Å; F198-W202 AromaticContact CD1-CG 3.6Å; F198-W202 HydrophobicContact CD1-CG 3.6Å; F198-W202 HydrophobicContact CE1-CB 4.42Å; F198-W202 HydrophobicContact CE1-CD2 4.1Å; F198-W202 AromaticContact CE1-CG 3.98Å; F198-W202 HydrophobicContact CE1-CG 3.98Å; F198-W203 VanDerWaalsContact O-CB 3.29Å; F198-W203 WeakPolarHBondContact O-CB 3.36Å; F198-W203 PolarHBondContact O-N 3Å |
| 199 | T | 97.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -78.6 | -48.6 | -177.4 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | T112 I124 V195 D196 Y197 P204 | T112-T199 HydrophobicContact CG2-CG2 3.86Å; T112-T199 WeakPolarHBondContact CG2-OG1 3.35Å; I124-T199 HydrophobicContact CD1-CG2 4.16Å; V195-T199 VanDerWaalsContact O-CB 3.3Å; V195-T199 WeakPolarHBondContact O-CB 3.42Å; V195-T199 PolarHBondContact O-N 3.39Å; V195-T199 PolarHBondContact O-OG1 3.32Å; D196-T199 PolarHBondContact O-N 3.19Å; Y197-T199 VanDerWaalsContact C-N 3.31Å; Y197-T199 PolarHBondContact O-N 3.3Å; T199-P204 WeakPolarHBondContact O-CD 3.29Å |
| 200 | N | 96.9 | Very high | 97.9 | Very high | 107 Ų | 107 | 45.3 Ų | 45.3 | 57% | 0.572 | 24% | 0.24 | S | C | * | . | I | π-helix | trans | -104.7 | -14.7 | -165.7 | -65.9 | -42.9 | 0 | 0 | 0 | 113.9 | D196 | D196-N200 WeakPolarHBondContact O-CB 3.2Å; D196-N200 PolarHBondContact O-N 3.36Å; D196-N200 PolarHBondContact OD1-ND2 2.91Å |
| 201 | C | 97.5 | Very high | 97.8 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -118.1 | -56.6 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | Y197 | Y197-C201 HydrophobicContact CD2-CB 3.86Å; Y197-C201 HydrophobicContact CE2-CB 4.12Å; Y197-C201 CarbonylContact O-C 3.48Å; Y197-C201 WeakPolarHBondContact O-CA 3.38Å; Y197-C201 WeakPolarHBondContact O-CB 3.32Å; Y197-C201 PolarHBondContact O-N 3.16Å |
| 202 | W | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -66.2 | -56.6 | -176.1 | -179.3 | 83.5 | 0 | 0 | 0 | 111.8 | K127 Y197 F198 A205 S236 H237 | K127-W202 HydrophobicContact CD-CH2 3.97Å; K127-W202 HydrophobicContact CD-CZ2 3.77Å; K127-W202 VanDerWaalsContact CE-CZ2 3.49Å; K127-W202 HydrophobicContact CG-CE3 4.41Å; K127-W202 HydrophobicContact CG-CH2 3.51Å; K127-W202 HydrophobicContact CG-CZ2 3.84Å; K127-W202 HydrophobicContact CG-CZ3 3.79Å; Y197-W202 HydrophobicContact CD1-CB 4.34Å; Y197-W202 HydrophobicContact CE1-CB 3.92Å; Y197-W202 HydrophobicContact CE1-CG 4.42Å; Y197-W202 PolarHBondContact O-N 3.32Å; F198-W202 HydrophobicContact CD1-CB 3.77Å; F198-W202 AromaticContact CD1-CD2 3.63Å; F198-W202 HydrophobicContact CD1-CD2 3.63Å; F198-W202 AromaticContact CD1-CE3 3.81Å; F198-W202 HydrophobicContact CD1-CE3 3.81Å; F198-W202 AromaticContact CD1-CG 3.6Å; F198-W202 HydrophobicContact CD1-CG 3.6Å; F198-W202 HydrophobicContact CE1-CB 4.42Å; F198-W202 HydrophobicContact CE1-CD2 4.1Å; F198-W202 AromaticContact CE1-CG 3.98Å; F198-W202 HydrophobicContact CE1-CG 3.98Å; W202-A205 VanDerWaalsContact O-CB 3.25Å; W202-A205 WeakPolarHBondContact O-CB 3.16Å; W202-A205 PolarHBondContact O-N 2.68Å; W202-A205 VanDerWaalsContact O-N 3.12Å; W202-S236 PolarHBondContact NE1-OG 3.24Å; W202-H237 AromaticContact CD1-NE2 3.88Å; W202-H237 AromaticContact CD2-CE1 3.61Å; W202-H237 AromaticContact CD2-NE2 3.63Å; W202-H237 AromaticContact CE2-CE1 3.28Å; W202-H237 AromaticContact CE2-NE2 3.45Å; W202-H237 AromaticContact CE3-CE1 3.88Å; W202-H237 AromaticContact CG-NE2 3.88Å; W202-H237 AromaticContact CH2-CE1 3.49Å; W202-H237 VanDerWaalsContact CH2-CE1 3.49Å; W202-H237 WeakPolarHBondContact CH2-CE1 3.5Å; W202-H237 AromaticContact CZ2-CE1 3.19Å; W202-H237 WeakPolarHBondContact CZ2-CE1 3.49Å; W202-H237 AromaticContact CZ2-ND1 3.65Å; W202-H237 AromaticContact CZ2-NE2 3.86Å; W202-H237 AromaticContact CZ3-CE1 3.86Å; W202-H237 AromaticContact NE1-CE1 3.89Å; W202-H237 AromaticContact NE1-NE2 3.63Å; W202-H237 PolarHBondContact O-NE2 2.71Å |
| 203 | W | 96.9 | Very high | 97.7 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | -173.7 | -178.3 | -107.5 | 0 | 0 | 0 | 114.1 | V120 K123 F198 A205 R206 | V120-W203 HydrophobicContact CB-CZ2 4.49Å; V120-W203 HydrophobicContact CG1-CD2 4.04Å; V120-W203 HydrophobicContact CG1-CG 3.7Å; V120-W203 HydrophobicContact CG2-CZ2 3.84Å; K123-W203 HydrophobicContact CB-CE3 4.15Å; K123-W203 HydrophobicContact CB-CH2 4.09Å; K123-W203 HydrophobicContact CB-CZ3 3.67Å; K123-W203 HydrophobicContact CD-CH2 4.45Å; K123-W203 HydrophobicContact CD-CZ3 4.34Å; K123-W203 HydrophobicContact CG-CH2 3.68Å; K123-W203 HydrophobicContact CG-CZ3 3.68Å; F198-W203 VanDerWaalsContact O-CB 3.29Å; F198-W203 WeakPolarHBondContact O-CB 3.36Å; F198-W203 PolarHBondContact O-N 3Å; W203-A205 PolarHBondContact O-N 2.79Å; W203-A205 VanDerWaalsContact O-N 3.09Å; W203-R206 HydrophobicContact CD2-CB 4.44Å; W203-R206 HydrophobicContact CE3-CB 4.2Å; W203-R206 HydrophobicContact CE3-CG 4.5Å; W203-R206 HydrophobicContact CH2-CG 4.09Å; W203-R206 HydrophobicContact CZ3-CB 4.27Å; W203-R206 HydrophobicContact CZ3-CG 4.07Å; W203-R206 WeakPolarHBondContact O-CB 3.21Å; W203-R206 PolarHBondContact O-N 2.95Å |
| 204 | P | 96.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.4 | -28.3 | 176 | -28.9 | 37.8 | 0 | 0 | 0 | 114 | T199 R206 N207 | T199-P204 WeakPolarHBondContact O-CD 3.29Å; P204-R206 PolarHBondContact O-N 3.48Å; P204-N207 PolarHBondContact O-N 3.25Å |
| 205 | A | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -23 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W202 W203 N207 I208 V209 C232 P233 | W202-A205 VanDerWaalsContact O-CB 3.25Å; W202-A205 WeakPolarHBondContact O-CB 3.16Å; W202-A205 PolarHBondContact O-N 2.68Å; W202-A205 VanDerWaalsContact O-N 3.12Å; W203-A205 PolarHBondContact O-N 2.79Å; W203-A205 VanDerWaalsContact O-N 3.09Å; A205-N207 VanDerWaalsContact C-N 3.3Å; A205-N207 PolarHBondContact O-N 3.28Å; A205-I208 WeakPolarHBondContact O-CB 3.22Å; A205-I208 PolarHBondContact O-N 3.22Å; A205-I208 VanDerWaalsContact O-N 3.15Å; A205-V209 WeakPolarHBondContact O-CG2 3.32Å; A205-V209 PolarHBondContact O-N 3.39Å; A205-C232 HydrophobicContact CB-CB 3.86Å; A205-P233 HydrophobicContact CB-CG 3.79Å |
| 206 | R | 97.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.3 | -46 | 178.5 | -178.4 | 52 | 166.6 | -121.1 | 3.1 | 111.9 | W203 P204 I208 V209 A210 H237 D240 E244 | W203-R206 HydrophobicContact CD2-CB 4.44Å; W203-R206 HydrophobicContact CE3-CB 4.2Å; W203-R206 HydrophobicContact CE3-CG 4.5Å; W203-R206 HydrophobicContact CH2-CG 4.09Å; W203-R206 HydrophobicContact CZ3-CB 4.27Å; W203-R206 HydrophobicContact CZ3-CG 4.07Å; W203-R206 WeakPolarHBondContact O-CB 3.21Å; W203-R206 PolarHBondContact O-N 2.95Å; P204-R206 PolarHBondContact O-N 3.48Å; R206-I208 VanDerWaalsContact C-N 3.35Å; R206-I208 PolarHBondContact O-N 2.91Å; R206-V209 PolarHBondContact O-N 3.46Å; R206-A210 VanDerWaalsContact O-CB 3.28Å; R206-A210 WeakPolarHBondContact O-CB 3.45Å; R206-A210 PolarHBondContact O-N 2.68Å; R206-H237 WeakPolarHBondContact CD-ND1 3.44Å; R206-D240 VanDerWaalsContact NH1-CB 3.33Å; R206-D240 IonicContact NH1-OD2 3.74Å; R206-E244 IonicContact CZ-OE1 3.86Å; R206-E244 IonicContact CZ-OE2 3.19Å; R206-E244 IonicContact NH2-OE1 2.86Å; R206-E244 PolarHBondContact NH2-OE1 2.91Å; R206-E244 IonicContact NH2-OE2 2.7Å; R206-E244 PolarHBondContact NH2-OE2 3Å |
| 207 | N | 97.2 | Very high | 97.3 | Very high | 124 Ų | 124 | 47.8 Ų | 47.8 | 66% | 0.663 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.6 | -38.9 | -178.7 | -172.8 | 27.9 | 0 | 0 | 0 | 111.9 | P204 A205 A210 K211 | P204-N207 PolarHBondContact O-N 3.25Å; A205-N207 VanDerWaalsContact C-N 3.3Å; A205-N207 PolarHBondContact O-N 3.28Å; N207-A210 PolarHBondContact O-N 3.28Å; N207-K211 WeakPolarHBondContact O-CB 3.23Å; N207-K211 PolarHBondContact O-N 3.05Å |
| 208 | I | 98.2 | Very high | 97.2 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 177.9 | -60.5 | 168.3 | 0 | 0 | 0 | 110.1 | A205 R206 K211 A212 L228 D229 R230 C232 | A205-I208 WeakPolarHBondContact O-CB 3.22Å; A205-I208 PolarHBondContact O-N 3.22Å; A205-I208 VanDerWaalsContact O-N 3.15Å; R206-I208 VanDerWaalsContact C-N 3.35Å; R206-I208 PolarHBondContact O-N 2.91Å; I208-K211 PolarHBondContact O-N 3.4Å; I208-A212 WeakPolarHBondContact O-CB 3.34Å; I208-A212 PolarHBondContact O-N 2.7Å; I208-L228 HydrophobicContact CG2-CB 4.42Å; I208-L228 HydrophobicContact CG2-CD2 4.33Å; I208-D229 WeakPolarHBondContact CG2-OD1 3.34Å; I208-R230 HydrophobicContact CD1-CG 3.77Å; I208-C232 HydrophobicContact CD1-CB 4.18Å |
| 209 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.9 | -40.5 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | A205 R206 K211 A212 M213 L228 W234 H237 L238 L241 | A205-V209 WeakPolarHBondContact O-CG2 3.32Å; A205-V209 PolarHBondContact O-N 3.39Å; R206-V209 PolarHBondContact O-N 3.46Å; V209-K211 PolarHBondContact O-N 3.06Å; V209-A212 PolarHBondContact O-N 3.12Å; V209-M213 HydrophobicContact CG1-CG 4.38Å; V209-M213 WeakPolarHBondContact O-CB 3.4Å; V209-M213 VanDerWaalsContact O-CG 3.31Å; V209-M213 WeakPolarHBondContact O-CG 3.45Å; V209-M213 PolarHBondContact O-N 3.02Å; V209-L228 HydrophobicContact CG2-CD2 4.4Å; V209-W234 HydrophobicContact CG2-CB 3.62Å; V209-H237 HydrophobicContact CB-CB 4.12Å; V209-H237 HydrophobicContact CG1-CB 4.31Å; V209-H237 HydrophobicContact CG2-CB 4.06Å; V209-L238 HydrophobicContact CG1-CB 4.25Å; V209-L241 HydrophobicContact CB-CD1 4.01Å; V209-L241 HydrophobicContact CG1-CD1 3.7Å |
| 210 | A | 97.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R206 N207 M213 N214 L241 | R206-A210 VanDerWaalsContact O-CB 3.28Å; R206-A210 WeakPolarHBondContact O-CB 3.45Å; R206-A210 PolarHBondContact O-N 2.68Å; N207-A210 PolarHBondContact O-N 3.28Å; A210-M213 PolarHBondContact O-N 3.48Å; A210-N214 VanDerWaalsContact O-CG 3.3Å; A210-N214 PolarHBondContact O-N 2.87Å; A210-N214 PolarHBondContact O-ND2 3.33Å; A210-L241 HydrophobicContact CB-CD1 4.04Å; A210-L241 HydrophobicContact CB-CD2 4.14Å |
| 211 | K | 97.9 | Very high | 97 | Very high | 133 Ų | 133 | 50.5 Ų | 50.5 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.3 | -47.1 | 174.2 | -175.6 | -178.8 | 177.1 | -174.7 | 0 | 111.6 | N207 I208 V209 M213 N214 C215 | N207-K211 WeakPolarHBondContact O-CB 3.23Å; N207-K211 PolarHBondContact O-N 3.05Å; I208-K211 PolarHBondContact O-N 3.4Å; V209-K211 PolarHBondContact O-N 3.06Å; K211-M213 VanDerWaalsContact C-N 3.32Å; K211-M213 PolarHBondContact O-N 3.24Å; K211-N214 PolarHBondContact O-N 2.91Å; K211-N214 VanDerWaalsContact O-N 3.17Å; K211-C215 PolarHBondContact O-N 3.26Å |
| 212 | A | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -39 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I208 V209 R216 I226 V227 L228 | I208-A212 WeakPolarHBondContact O-CB 3.34Å; I208-A212 PolarHBondContact O-N 2.7Å; V209-A212 PolarHBondContact O-N 3.12Å; A212-R216 PolarHBondContact O-N 3.02Å; A212-I226 HydrophobicContact CB-CB 4.16Å; A212-I226 HydrophobicContact CB-CD1 4.39Å; A212-V227 VanDerWaalsContact CB-O 3.27Å; A212-V227 WeakPolarHBondContact CB-O 3.41Å; A212-L228 HydrophobicContact CB-CD2 3.62Å |
| 213 | M | 96.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.034 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 171.6 | -76.9 | -71.4 | -72.3 | 0 | 0 | 111 | V209 A210 K211 C215 R216 I226 L238 L241 E242 I271 | V209-M213 HydrophobicContact CG1-CG 4.38Å; V209-M213 WeakPolarHBondContact O-CB 3.4Å; V209-M213 VanDerWaalsContact O-CG 3.31Å; V209-M213 WeakPolarHBondContact O-CG 3.45Å; V209-M213 PolarHBondContact O-N 3.02Å; A210-M213 PolarHBondContact O-N 3.48Å; K211-M213 VanDerWaalsContact C-N 3.32Å; K211-M213 PolarHBondContact O-N 3.24Å; M213-C215 PolarHBondContact O-N 2.86Å; M213-R216 WeakPolarHBondContact O-CB 3.36Å; M213-R216 WeakPolarHBondContact O-CD 3.49Å; M213-R216 WeakPolarHBondContact O-CG 3.33Å; M213-R216 PolarHBondContact O-N 3.47Å; M213-R216 PolarHBondContact O-NH1 2.78Å; M213-I226 HydrophobicContact SD-CG2 4.1Å; M213-L238 HydrophobicContact CE-CD1 4.4Å; M213-L238 HydrophobicContact CG-CD1 4.31Å; M213-L238 HydrophobicContact SD-CD1 3.51Å; M213-L238 VanDerWaalsContact SD-CD1 3.51Å; M213-L241 HydrophobicContact CG-CD1 4.32Å; M213-E242 HydrophobicContact CE-CG 4.08Å; M213-I271 HydrophobicContact CE-CD1 4.46Å; M213-I271 HydrophobicContact CE-CG1 4.25Å; M213-I271 HydrophobicContact SD-CD1 3.79Å; M213-I271 HydrophobicContact SD-CG1 3.47Å; M213-I271 WeakPolarHBondContact SD-CG1 3.45Å |
| 214 | N | 96 | Very high | 96.7 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.1 | -35.9 | -178.3 | -71.1 | -19.1 | 0 | 0 | 0 | 113.2 | A210 K211 | A210-N214 VanDerWaalsContact O-CG 3.3Å; A210-N214 PolarHBondContact O-N 2.87Å; A210-N214 PolarHBondContact O-ND2 3.33Å; K211-N214 PolarHBondContact O-N 2.91Å; K211-N214 VanDerWaalsContact O-N 3.17Å |
| 215 | C | 96 | Very high | 96.7 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.2 | -179.9 | -63 | 0 | 0 | 0 | 0 | 114.2 | K211 M213 G217 D218 | K211-C215 PolarHBondContact O-N 3.26Å; M213-C215 PolarHBondContact O-N 2.86Å; C215-G217 PolarHBondContact O-N 3.28Å; C215-G217 VanDerWaalsContact O-N 3.07Å; C215-D218 WeakPolarHBondContact O-CB 3.18Å; C215-D218 PolarHBondContact O-N 3.4Å |
| 216 | R | 96.7 | Very high | 96.8 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -23.8 | -173.8 | 72.5 | -168.6 | -178.7 | -87.6 | 8.8 | 114.9 | A212 M213 D218 V219 D220 K223 I226 E245 | A212-R216 PolarHBondContact O-N 3.02Å; M213-R216 WeakPolarHBondContact O-CB 3.36Å; M213-R216 WeakPolarHBondContact O-CD 3.49Å; M213-R216 WeakPolarHBondContact O-CG 3.33Å; M213-R216 PolarHBondContact O-N 3.47Å; M213-R216 PolarHBondContact O-NH1 2.78Å; R216-D218 VanDerWaalsContact C-N 3.27Å; R216-D218 PolarHBondContact O-N 3.25Å; R216-V219 PolarHBondContact O-N 2.91Å; R216-D220 PolarHBondContact O-N 3.21Å; R216-K223 WeakPolarHBondContact CD-O 3.29Å; R216-K223 HydrophobicContact CG-CB 3.95Å; R216-K223 HydrophobicContact CG-CG 4.39Å; R216-I226 HydrophobicContact CB-CG2 3.78Å; R216-E245 IonicContact CZ-OE1 3.23Å; R216-E245 IonicContact CZ-OE2 3.46Å; R216-E245 IonicContact NH1-OE1 2.72Å; R216-E245 PolarHBondContact NH1-OE1 3.31Å; R216-E245 VanDerWaalsContact NH2-CD 3.31Å; R216-E245 IonicContact NH2-OE1 2.81Å; R216-E245 PolarHBondContact NH2-OE1 2.85Å; R216-E245 IonicContact NH2-OE2 2.65Å; R216-E245 PolarHBondContact NH2-OE2 2.69Å; R216-E245 VanDerWaalsContact NH2-OE2 3.16Å |
| 217 | G | 96 | Very high | 96.8 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.3 | -25.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C215 | C215-G217 PolarHBondContact O-N 3.28Å; C215-G217 VanDerWaalsContact O-N 3.07Å |
| 218 | D | 96.6 | Very high | 96.9 | Very high | 144 Ų | 144 | 42.9 Ų | 42.9 | 77% | 0.77 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -79.9 | -23.7 | 178 | -53.5 | -35.1 | 0 | 0 | 0 | 111.5 | C215 R216 | C215-D218 WeakPolarHBondContact O-CB 3.18Å; C215-D218 PolarHBondContact O-N 3.4Å; R216-D218 VanDerWaalsContact C-N 3.27Å; R216-D218 PolarHBondContact O-N 3.25Å |
| 219 | V | 97.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79 | -52.2 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | R216 I225 V227 I338 R342 | R216-V219 PolarHBondContact O-N 2.91Å; V219-I225 HydrophobicContact CG1-CB 4.18Å; V219-I225 HydrophobicContact CG1-CG2 3.86Å; V219-V227 HydrophobicContact CB-CG2 4.44Å; V219-V227 HydrophobicContact CG1-CG2 3.71Å; V219-V227 HydrophobicContact CG2-CB 4.28Å; V219-V227 HydrophobicContact CG2-CG2 3.79Å; V219-I338 HydrophobicContact CG1-CD1 4.27Å; V219-I338 HydrophobicContact CG1-CG1 4.3Å; V219-I338 HydrophobicContact CG1-CG2 4.47Å; V219-R342 PolarHBondContact O-NH2 3.46Å; V219-R342 VanDerWaalsContact O-NH2 3.13Å |
| 220 | D | 95.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | trans | -153.7 | 138.1 | -179.5 | -172.7 | -98.1 | 0 | 0 | 0 | 111.7 | R216 S222 K223 I225 R342 | R216-D220 PolarHBondContact O-N 3.21Å; D220-S222 PolarHBondContact O-N 3.48Å; D220-S222 WeakPolarHBondContact OD1-CB 3.44Å; D220-S222 PolarHBondContact OD1-N 2.75Å; D220-S222 PolarHBondContact OD1-OG 2.81Å; D220-K223 PolarHBondContact O-N 2.9Å; D220-I225 HydrophobicContact CB-CB 4.36Å; D220-I225 HydrophobicContact CB-CD1 3.92Å; D220-I225 HydrophobicContact CB-CG1 4.43Å; D220-R342 IonicContact OD2-CZ 3.39Å; D220-R342 IonicContact OD2-NE 3.93Å; D220-R342 PolarHBondContact OD2-NE 2.91Å; D220-R342 IonicContact OD2-NH2 3.16Å | ||
| 221 | S | 94 | Very high | 96.6 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 79% | 0.79 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.4 | -178.6 | 65 | 0 | 0 | 0 | 0 | 114.2 | K223 | S221-K223 PolarHBondContact O-N 2.81Š|
| 222 | S | 93.9 | Very high | 96.6 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.7 | 175.4 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | D220 T224 | D220-S222 PolarHBondContact O-N 3.48Å; D220-S222 WeakPolarHBondContact OD1-CB 3.44Å; D220-S222 PolarHBondContact OD1-N 2.75Å; D220-S222 PolarHBondContact OD1-OG 2.81Å; S222-T224 PolarHBondContact O-N 3.43Å; S222-T224 PolarHBondContact OG-N 2.9Å; S222-T224 PolarHBondContact OG-OG1 3.17Å |
| 223 | K | 95.5 | Very high | 96.6 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 57.4 | 21.9 | -172.3 | -55.6 | -177.5 | -178.1 | -175.5 | 0 | 113.8 | R216 D220 S221 P269 I271 | R216-K223 WeakPolarHBondContact CD-O 3.29Å; R216-K223 HydrophobicContact CG-CB 3.95Å; R216-K223 HydrophobicContact CG-CG 4.39Å; D220-K223 PolarHBondContact O-N 2.9Å; S221-K223 PolarHBondContact O-N 2.81Å; K223-P269 HydrophobicContact CB-CG 3.99Å; K223-I271 WeakPolarHBondContact O-CD1 3.32Å |
| 224 | T | 96.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -102.9 | -0.1 | 177.7 | 66 | 0 | 0 | 0 | 0 | 113.5 | S222 P269 Q270 I271 L272 F273 | S222-T224 PolarHBondContact O-N 3.43Å; S222-T224 PolarHBondContact OG-N 2.9Å; S222-T224 PolarHBondContact OG-OG1 3.17Å; T224-P269 HydrophobicContact CG2-CB 4.03Å; T224-Q270 WeakPolarHBondContact CG2-O 3.49Å; T224-I271 CarbonylContact O-C 3.56Å; T224-I271 WeakPolarHBondContact O-CA 3.03Å; T224-I271 WeakPolarHBondContact O-CG2 3.33Å; T224-L272 HydrophobicContact CG2-CD1 4.06Å; T224-L272 HydrophobicContact CG2-CG 4.25Å; T224-L272 PolarHBondContact O-N 3.26Å; T224-F273 PolarHBondContact O-N 3.28Å | ||
| 225 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.1 | -178.9 | -54.2 | 170.9 | 0 | 0 | 0 | 107.8 | V219 D220 F273 I275 A341 R342 V345 | V219-I225 HydrophobicContact CG1-CB 4.18Å; V219-I225 HydrophobicContact CG1-CG2 3.86Å; D220-I225 HydrophobicContact CB-CB 4.36Å; D220-I225 HydrophobicContact CB-CD1 3.92Å; D220-I225 HydrophobicContact CB-CG1 4.43Å; I225-F273 HydrophobicContact CG2-CB 4.46Å; I225-I275 HydrophobicContact CG2-CD1 3.72Å; I225-I275 HydrophobicContact CG2-CG1 4.26Å; I225-A341 HydrophobicContact CD1-CB 3.71Å; I225-A341 HydrophobicContact CG1-CB 4.2Å; I225-A341 HydrophobicContact CG2-CB 4.21Å; I225-R342 HydrophobicContact CD1-CB 4.41Å; I225-V345 HydrophobicContact CD1-CG2 4.32Å; I225-V345 HydrophobicContact CG1-CG2 4.4Å |
| 226 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148.1 | 171.4 | 68.3 | 175.6 | 0 | 0 | 0 | 110.4 | A212 M213 R216 L228 L238 I271 F273 V274 I275 | A212-I226 HydrophobicContact CB-CB 4.16Å; A212-I226 HydrophobicContact CB-CD1 4.39Å; M213-I226 HydrophobicContact SD-CG2 4.1Å; R216-I226 HydrophobicContact CB-CG2 3.78Å; I226-L228 HydrophobicContact CD1-CD2 4.27Å; I226-L238 HydrophobicContact CD1-CD1 4.15Å; I226-I271 HydrophobicContact CD1-CG2 4.38Å; I226-I271 HydrophobicContact CG1-CG2 4.08Å; I226-I271 HydrophobicContact CG2-CD1 3.73Å; I226-I271 HydrophobicContact CG2-CG1 4.08Å; I226-I271 HydrophobicContact CG2-CG2 4.23Å; I226-F273 PolarHBondContact N-O 3.24Å; I226-F273 VanDerWaalsContact N-O 3.12Å; I226-V274 HydrophobicContact CD1-CG1 4.3Å; I226-V274 HydrophobicContact CD1-CG2 3.93Å; I226-V274 HydrophobicContact CG1-CB 4.25Å; I226-V274 HydrophobicContact CG1-CG1 4.1Å; I226-V274 HydrophobicContact CG1-CG2 3.86Å; I226-I275 PolarHBondContact O-N 2.82Å |
| 227 | V | 98.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.2 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | A212 V219 I275 W282 L334 I338 | A212-V227 VanDerWaalsContact CB-O 3.27Å; A212-V227 WeakPolarHBondContact CB-O 3.41Å; V219-V227 HydrophobicContact CB-CG2 4.44Å; V219-V227 HydrophobicContact CG1-CG2 3.71Å; V219-V227 HydrophobicContact CG2-CB 4.28Å; V219-V227 HydrophobicContact CG2-CG2 3.79Å; V227-I275 CarbonylContact C-O 3.57Å; V227-I275 WeakPolarHBondContact CA-O 3.49Å; V227-I275 HydrophobicContact CG2-CB 4.13Å; V227-I275 HydrophobicContact CG2-CD1 4.37Å; V227-W282 HydrophobicContact CG1-CZ3 3.96Å; V227-L334 HydrophobicContact CG1-CD1 3.74Å; V227-L334 HydrophobicContact CG1-CD2 4.46Å; V227-L334 HydrophobicContact CG2-CD1 4.12Å; V227-I338 HydrophobicContact CG2-CD1 4.18Å; V227-I338 HydrophobicContact CG2-CG1 4.24Å |
| 228 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -91 | 137.9 | 171.9 | -51.1 | -177.5 | 0 | 0 | 0 | 109.1 | I208 V209 A212 I226 R230 W234 V274 I275 L276 P277 | I208-L228 HydrophobicContact CG2-CB 4.42Å; I208-L228 HydrophobicContact CG2-CD2 4.33Å; V209-L228 HydrophobicContact CG2-CD2 4.4Å; A212-L228 HydrophobicContact CB-CD2 3.62Å; I226-L228 HydrophobicContact CD1-CD2 4.27Å; L228-R230 WeakPolarHBondContact CB-O 3.24Å; L228-R230 PolarHBondContact O-N 2.68Å; L228-W234 HydrophobicContact CD1-CB 3.73Å; L228-W234 HydrophobicContact CD1-CG 3.91Å; L228-V274 HydrophobicContact CD1-CG1 3.64Å; L228-V274 HydrophobicContact CD2-CG1 4.37Å; L228-V274 HydrophobicContact CG-CG1 3.76Å; L228-I275 PolarHBondContact N-O 3.08Å; L228-L276 HydrophobicContact CB-CB 4.14Å; L228-L276 HydrophobicContact CD1-CB 4.23Å; L228-L276 HydrophobicContact CD1-CD2 4.49Å; L228-L276 HydrophobicContact CG-CB 4.46Å; L228-P277 WeakPolarHBondContact O-CD 3.15Å | ||
| 229 | D | 95.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -72 | -18.8 | 178.2 | 73.2 | -32.1 | 0 | 0 | 0 | 112.9 | I208 | I208-D229 WeakPolarHBondContact CG2-OD1 3.34Š|
| 230 | R | 96.4 | Very high | 96 | Very high | 142 Ų | 142 | 42.1 Ų | 42.1 | 54% | 0.536 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -151.2 | 161.2 | 177.6 | 69.7 | -166.6 | 73.3 | -162.4 | -5.9 | 111.1 | I208 L228 | I208-R230 HydrophobicContact CD1-CG 3.77Å; L228-R230 WeakPolarHBondContact CB-O 3.24Å; L228-R230 PolarHBondContact O-N 2.68Å |
| 231 | S | 96.5 | Very high | 95.9 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 57% | 0.573 | 23% | 0.229 | S | C | * | . | trans | -67 | 131 | 169.4 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 232 | C | 97.5 | Very high | 95.8 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 14% | 0.142 | 19% | 0.192 | C | C | . | . | trans | -157.3 | 163.2 | 179.6 | 72.6 | 0 | 0 | 0 | 0 | 111.2 | A205 I208 W234 | A205-C232 HydrophobicContact CB-CB 3.86Å; I208-C232 HydrophobicContact CD1-CB 4.18Å; C232-W234 VanDerWaalsContact C-N 3.29Å; C232-W234 PolarHBondContact O-N 2.98Å | ||
| 233 | P | 97.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 24% | 0.24 | 21% | 0.21 | C | C | . | . | trans | -71.7 | 78.4 | 176.7 | 29.9 | -36.8 | 0 | 0 | 0 | 112 | A205 H237 | A205-P233 HydrophobicContact CB-CG 3.79Å; P233-H237 PolarHBondContact O-CD2 3.49Å | ||
| 234 | W | 97.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | trans | -82.5 | -26.1 | -169 | 63.2 | -98.6 | 0 | 0 | 0 | 115.4 | V209 L228 C232 S236 H237 L238 V274 Q285 V287 | V209-W234 HydrophobicContact CG2-CB 3.62Å; L228-W234 HydrophobicContact CD1-CB 3.73Å; L228-W234 HydrophobicContact CD1-CG 3.91Å; C232-W234 VanDerWaalsContact C-N 3.29Å; C232-W234 PolarHBondContact O-N 2.98Å; W234-S236 PolarHBondContact O-N 3.2Å; W234-H237 PolarHBondContact O-N 2.81Å; W234-L238 HydrophobicContact CE3-CB 3.94Å; W234-L238 HydrophobicContact CE3-CD2 3.87Å; W234-L238 HydrophobicContact CZ3-CB 4.25Å; W234-L238 HydrophobicContact CZ3-CD2 3.46Å; W234-L238 VanDerWaalsContact CZ3-CD2 3.46Å; W234-L238 HydrophobicContact CZ3-CG 4.49Å; W234-L238 PolarHBondContact O-N 2.86Å; W234-V274 HydrophobicContact CD2-CB 4.3Å; W234-V274 HydrophobicContact CD2-CG1 4.01Å; W234-V274 HydrophobicContact CD2-CG2 4.03Å; W234-V274 HydrophobicContact CE3-CB 4.5Å; W234-V274 HydrophobicContact CE3-CG2 3.74Å; W234-V274 HydrophobicContact CG-CG1 4.18Å; W234-V274 HydrophobicContact CH2-CB 4.27Å; W234-V274 HydrophobicContact CH2-CG2 3.7Å; W234-V274 HydrophobicContact CZ2-CB 4.01Å; W234-V274 HydrophobicContact CZ2-CG1 4.47Å; W234-V274 HydrophobicContact CZ2-CG2 3.95Å; W234-V274 HydrophobicContact CZ3-CG2 3.61Å; W234-Q285 HydrophobicContact CZ2-CB 4.39Å; W234-Q285 HydrophobicContact CZ2-CG 4.08Å; W234-V287 HydrophobicContact CH2-CG2 4.12Å; W234-V287 HydrophobicContact CZ3-CG2 4.22Å | ||
| 235 | K | 95.5 | Very high | 94.7 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.1 | -59.2 | -164.2 | -71 | 174.5 | -176.8 | 163.6 | 0 | 113.8 | H237 L238 F239 | K235-H237 VanDerWaalsContact C-N 3.29Å; K235-H237 PolarHBondContact O-N 2.86Å; K235-L238 PolarHBondContact O-N 3.31Å; K235-F239 HydrophobicContact CB-CE2 4.41Å; K235-F239 WeakPolarHBondContact O-CD2 3.21Å; K235-F239 PolarHBondContact O-N 3.42Å |
| 236 | S | 93.2 | Very high | 94 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | -178.8 | 56.4 | 0 | 0 | 0 | 0 | 112 | W202 W234 F239 D240 | W202-S236 PolarHBondContact NE1-OG 3.24Å; W234-S236 PolarHBondContact O-N 3.2Å; S236-F239 PolarHBondContact O-N 3.33Å; S236-D240 WeakPolarHBondContact O-CB 3.4Å; S236-D240 VanDerWaalsContact O-CG 3.31Å; S236-D240 PolarHBondContact O-N 3.18Å |
| 237 | H | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 179.1 | -67.8 | -53.4 | 0 | 0 | 0 | 111.9 | W202 R206 V209 P233 W234 K235 F239 D240 L241 | W202-H237 AromaticContact CD1-NE2 3.88Å; W202-H237 AromaticContact CD2-CE1 3.61Å; W202-H237 AromaticContact CD2-NE2 3.63Å; W202-H237 AromaticContact CE2-CE1 3.28Å; W202-H237 AromaticContact CE2-NE2 3.45Å; W202-H237 AromaticContact CE3-CE1 3.88Å; W202-H237 AromaticContact CG-NE2 3.88Å; W202-H237 AromaticContact CH2-CE1 3.49Å; W202-H237 VanDerWaalsContact CH2-CE1 3.49Å; W202-H237 WeakPolarHBondContact CH2-CE1 3.5Å; W202-H237 AromaticContact CZ2-CE1 3.19Å; W202-H237 WeakPolarHBondContact CZ2-CE1 3.49Å; W202-H237 AromaticContact CZ2-ND1 3.65Å; W202-H237 AromaticContact CZ2-NE2 3.86Å; W202-H237 AromaticContact CZ3-CE1 3.86Å; W202-H237 AromaticContact NE1-CE1 3.89Å; W202-H237 AromaticContact NE1-NE2 3.63Å; W202-H237 PolarHBondContact O-NE2 2.71Å; R206-H237 WeakPolarHBondContact CD-ND1 3.44Å; V209-H237 HydrophobicContact CB-CB 4.12Å; V209-H237 HydrophobicContact CG1-CB 4.31Å; V209-H237 HydrophobicContact CG2-CB 4.06Å; P233-H237 PolarHBondContact O-CD2 3.49Å; W234-H237 PolarHBondContact O-N 2.81Å; K235-H237 VanDerWaalsContact C-N 3.29Å; K235-H237 PolarHBondContact O-N 2.86Å; H237-F239 PolarHBondContact O-N 3.38Å; H237-D240 PolarHBondContact O-N 3.34Å; H237-L241 VanDerWaalsContact O-CB 3.31Å; H237-L241 WeakPolarHBondContact O-CB 3.32Å; H237-L241 WeakPolarHBondContact O-CD1 3.3Å; H237-L241 VanDerWaalsContact O-CG 3.23Å; H237-L241 WeakPolarHBondContact O-CG 3.21Å; H237-L241 PolarHBondContact O-N 2.93Å |
| 238 | L | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 174.5 | 176.3 | 66.5 | 0 | 0 | 0 | 111.1 | V209 M213 I226 W234 K235 D240 L241 E242 I271 V274 V287 | V209-L238 HydrophobicContact CG1-CB 4.25Å; M213-L238 HydrophobicContact CE-CD1 4.4Å; M213-L238 HydrophobicContact CG-CD1 4.31Å; M213-L238 HydrophobicContact SD-CD1 3.51Å; M213-L238 VanDerWaalsContact SD-CD1 3.51Å; I226-L238 HydrophobicContact CD1-CD1 4.15Å; W234-L238 HydrophobicContact CE3-CB 3.94Å; W234-L238 HydrophobicContact CE3-CD2 3.87Å; W234-L238 HydrophobicContact CZ3-CB 4.25Å; W234-L238 HydrophobicContact CZ3-CD2 3.46Å; W234-L238 VanDerWaalsContact CZ3-CD2 3.46Å; W234-L238 HydrophobicContact CZ3-CG 4.49Å; W234-L238 PolarHBondContact O-N 2.86Å; K235-L238 PolarHBondContact O-N 3.31Å; L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.99Å; L238-L241 PolarHBondContact O-N 3.42Å; L238-E242 HydrophobicContact CD1-CG 4.22Å; L238-E242 WeakPolarHBondContact O-CB 3.31Å; L238-E242 WeakPolarHBondContact O-CG 3.33Å; L238-E242 PolarHBondContact O-N 3.01Å; L238-I271 HydrophobicContact CD1-CB 4Å; L238-I271 HydrophobicContact CD1-CG1 3.63Å; L238-I271 HydrophobicContact CD1-CG2 4.44Å; L238-I271 HydrophobicContact CD2-CB 4.15Å; L238-I271 HydrophobicContact CD2-CG2 4.27Å; L238-V274 HydrophobicContact CD2-CG2 4.17Å; L238-V287 HydrophobicContact CD2-CB 4.42Å; L238-V287 HydrophobicContact CD2-CG1 3.74Å; L238-V287 HydrophobicContact CD2-CG2 3.68Å |
| 239 | F | 92.7 | Very high | 90.6 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 29% | 0.285 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 179.9 | -65.8 | -60.5 | 0 | 0 | 0 | 112.6 | K235 S236 H237 R243 V287 P288 | K235-F239 HydrophobicContact CB-CE2 4.41Å; K235-F239 WeakPolarHBondContact O-CD2 3.21Å; K235-F239 PolarHBondContact O-N 3.42Å; S236-F239 PolarHBondContact O-N 3.33Å; H237-F239 PolarHBondContact O-N 3.38Å; F239-R243 WeakPolarHBondContact O-CB 3.48Å; F239-R243 PolarHBondContact O-N 3.41Å; F239-R243 VanDerWaalsContact O-N 3.16Å; F239-V287 HydrophobicContact CE1-CG1 4.12Å; F239-V287 HydrophobicContact CZ-CG1 4.2Å; F239-P288 HydrophobicContact CZ-CB 4.28Å; F239-P288 WeakPolarHBondContact CZ-O 3.46Å |
| 240 | D | 90.3 | Very high | 89 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -47.8 | 176.1 | -72.3 | -19.4 | 0 | 0 | 0 | 111.7 | R206 S236 H237 L238 E242 R243 E244 | R206-D240 VanDerWaalsContact NH1-CB 3.33Å; R206-D240 IonicContact NH1-OD2 3.74Å; S236-D240 WeakPolarHBondContact O-CB 3.4Å; S236-D240 VanDerWaalsContact O-CG 3.31Å; S236-D240 PolarHBondContact O-N 3.18Å; H237-D240 PolarHBondContact O-N 3.34Å; L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.99Å; D240-E242 PolarHBondContact O-N 2.85Å; D240-R243 WeakPolarHBondContact O-CB 3.11Å; D240-R243 PolarHBondContact O-N 2.99Å; D240-R243 VanDerWaalsContact O-N 3.13Å; D240-R243 IonicContact OD1-CZ 3.62Å; D240-R243 VanDerWaalsContact OD1-CZ 3.23Å; D240-R243 IonicContact OD1-NH1 3.66Å; D240-R243 PolarHBondContact OD1-NH1 3.24Å; D240-R243 IonicContact OD1-NH2 3.64Å; D240-R243 PolarHBondContact OD1-NH2 3.03Å; D240-E244 WeakPolarHBondContact O-CG 3.35Å; D240-E244 PolarHBondContact O-N 3.11Å |
| 241 | L | 93.9 | Very high | 87.3 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 178.5 | -73.8 | 164.6 | 0 | 0 | 0 | 112 | V209 A210 M213 H237 L238 R243 E244 E245 | V209-L241 HydrophobicContact CB-CD1 4.01Å; V209-L241 HydrophobicContact CG1-CD1 3.7Å; A210-L241 HydrophobicContact CB-CD1 4.04Å; A210-L241 HydrophobicContact CB-CD2 4.14Å; M213-L241 HydrophobicContact CG-CD1 4.32Å; H237-L241 VanDerWaalsContact O-CB 3.31Å; H237-L241 WeakPolarHBondContact O-CB 3.32Å; H237-L241 WeakPolarHBondContact O-CD1 3.3Å; H237-L241 VanDerWaalsContact O-CG 3.23Å; H237-L241 WeakPolarHBondContact O-CG 3.21Å; H237-L241 PolarHBondContact O-N 2.93Å; L238-L241 PolarHBondContact O-N 3.42Å; L241-R243 VanDerWaalsContact C-N 3.26Å; L241-R243 PolarHBondContact O-N 3.41Å; L241-E244 PolarHBondContact O-N 2.92Å; L241-E245 WeakPolarHBondContact O-CB 3.35Å; L241-E245 PolarHBondContact O-N 3.13Å |
| 242 | E | 92.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 174.3 | -79 | -167.1 | 166.8 | 0 | 0 | 112.6 | M213 L238 D240 R246 I271 R295 | M213-E242 HydrophobicContact CE-CG 4.08Å; L238-E242 HydrophobicContact CD1-CG 4.22Å; L238-E242 WeakPolarHBondContact O-CB 3.31Å; L238-E242 WeakPolarHBondContact O-CG 3.33Å; L238-E242 PolarHBondContact O-N 3.01Å; D240-E242 PolarHBondContact O-N 2.85Å; E242-R246 VanDerWaalsContact CD-NH2 3.35Å; E242-R246 WeakPolarHBondContact O-CB 3.29Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 3.34Å; E242-R246 VanDerWaalsContact O-N 3.12Å; E242-R246 IonicContact OE1-NH2 2.86Å; E242-R246 IonicContact OE2-CZ 3.75Å; E242-R246 IonicContact OE2-NH1 3.68Å; E242-R246 IonicContact OE2-NH2 2.79Å; E242-R246 PolarHBondContact OE2-NH2 2.93Å; E242-I271 PolarHBondContact OE1-N 2.94Å; E242-R295 VanDerWaalsContact CD-NH1 3.32Å; E242-R295 IonicContact OE1-CZ 2.72Å; E242-R295 IonicContact OE1-NH1 2.66Å; E242-R295 PolarHBondContact OE1-NH1 2.87Å; E242-R295 IonicContact OE1-NH2 3.06Å; E242-R295 IonicContact OE2-CZ 2.78Å; E242-R295 IonicContact OE2-NH1 2.71Å; E242-R295 PolarHBondContact OE2-NH1 3.02Å; E242-R295 IonicContact OE2-NH2 3.77Å; E242-R295 PolarHBondContact OE2-NH2 3.31Å |
| 243 | R | 86.8 | Confident | 83.1 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 177.8 | -177.4 | 178.2 | 64.2 | -107.1 | -0.6 | 110.8 | F239 D240 L241 R246 A247 | F239-R243 WeakPolarHBondContact O-CB 3.48Å; F239-R243 PolarHBondContact O-N 3.41Å; F239-R243 VanDerWaalsContact O-N 3.16Å; D240-R243 WeakPolarHBondContact O-CB 3.11Å; D240-R243 PolarHBondContact O-N 2.99Å; D240-R243 VanDerWaalsContact O-N 3.13Å; D240-R243 IonicContact OD1-CZ 3.62Å; D240-R243 VanDerWaalsContact OD1-CZ 3.23Å; D240-R243 IonicContact OD1-NH1 3.66Å; D240-R243 PolarHBondContact OD1-NH1 3.24Å; D240-R243 IonicContact OD1-NH2 3.64Å; D240-R243 PolarHBondContact OD1-NH2 3.03Å; L241-R243 VanDerWaalsContact C-N 3.26Å; L241-R243 PolarHBondContact O-N 3.41Å; R243-R246 PolarHBondContact O-N 3.35Å; R243-A247 WeakPolarHBondContact O-CB 3Å; R243-A247 PolarHBondContact O-N 3.07Å |
| 244 | E | 88 | Confident | 80.9 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.6 | -51.6 | 176.6 | -71.3 | 164.5 | -163.8 | 0 | 0 | 110.8 | K123 R206 D240 L241 R246 A247 E248 | K123-E244 IonicContact NZ-OE1 3.68Å; R206-E244 IonicContact CZ-OE1 3.86Å; R206-E244 IonicContact CZ-OE2 3.19Å; R206-E244 IonicContact NH2-OE1 2.86Å; R206-E244 PolarHBondContact NH2-OE1 2.91Å; R206-E244 IonicContact NH2-OE2 2.7Å; R206-E244 PolarHBondContact NH2-OE2 3Å; D240-E244 WeakPolarHBondContact O-CG 3.35Å; D240-E244 PolarHBondContact O-N 3.11Å; L241-E244 PolarHBondContact O-N 2.92Å; E244-R246 VanDerWaalsContact C-N 3.28Å; E244-R246 PolarHBondContact O-N 3.2Å; E244-A247 WeakPolarHBondContact O-CB 3.45Å; E244-A247 PolarHBondContact O-N 2.88Å; E244-E248 WeakPolarHBondContact O-CG 3.38Å; E244-E248 PolarHBondContact O-N 3.08Å |
| 245 | E | 88 | Confident | 78.5 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 178.8 | -163.7 | -173.1 | -160.7 | 0 | 0 | 111.9 | R216 L241 E248 T249 P268 | R216-E245 IonicContact CZ-OE1 3.23Å; R216-E245 IonicContact CZ-OE2 3.46Å; R216-E245 IonicContact NH1-OE1 2.72Å; R216-E245 PolarHBondContact NH1-OE1 3.31Å; R216-E245 VanDerWaalsContact NH2-CD 3.31Å; R216-E245 IonicContact NH2-OE1 2.81Å; R216-E245 PolarHBondContact NH2-OE1 2.85Å; R216-E245 IonicContact NH2-OE2 2.65Å; R216-E245 PolarHBondContact NH2-OE2 2.69Å; R216-E245 VanDerWaalsContact NH2-OE2 3.16Å; L241-E245 WeakPolarHBondContact O-CB 3.35Å; L241-E245 PolarHBondContact O-N 3.13Å; E245-E248 PolarHBondContact O-N 3.29Å; E245-T249 VanDerWaalsContact O-CB 3.28Å; E245-T249 WeakPolarHBondContact O-CB 3.42Å; E245-T249 PolarHBondContact O-N 3.01Å; E245-T249 PolarHBondContact O-OG1 2.82Å; E245-P268 HydrophobicContact CB-CG 4.26Å; E245-P268 HydrophobicContact CG-CB 4.44Å; E245-P268 HydrophobicContact CG-CG 3.81Å; E245-P268 WeakPolarHBondContact OE2-CG 3.35Å |
| 246 | R | 83.3 | Confident | 76.3 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 174.2 | -77.7 | -179.7 | -161 | 122.5 | 19.5 | 112.7 | E242 R243 E244 E248 T249 V250 P268 Q270 | E242-R246 VanDerWaalsContact CD-NH2 3.35Å; E242-R246 WeakPolarHBondContact O-CB 3.29Å; E242-R246 WeakPolarHBondContact O-CG 3.43Å; E242-R246 PolarHBondContact O-N 3.34Å; E242-R246 VanDerWaalsContact O-N 3.12Å; E242-R246 IonicContact OE1-NH2 2.86Å; E242-R246 IonicContact OE2-CZ 3.75Å; E242-R246 IonicContact OE2-NH1 3.68Å; E242-R246 IonicContact OE2-NH2 2.79Å; E242-R246 PolarHBondContact OE2-NH2 2.93Å; R243-R246 PolarHBondContact O-N 3.35Å; E244-R246 VanDerWaalsContact C-N 3.28Å; E244-R246 PolarHBondContact O-N 3.2Å; R246-E248 PolarHBondContact O-N 3.36Å; R246-T249 PolarHBondContact O-N 2.85Å; R246-V250 VanDerWaalsContact O-CB 3.3Å; R246-V250 WeakPolarHBondContact O-CB 3.1Å; R246-V250 WeakPolarHBondContact O-CG2 3.49Å; R246-V250 PolarHBondContact O-N 3.43Å; R246-P268 HydrophobicContact CG-CG 4.1Å; R246-Q270 VanDerWaalsContact NH2-CG 3.28Å |
| 247 | A | 79.2 | Confident | 74.2 | Confident | 81 Ų | 81 | 74 Ų | 74 | 67% | 0.669 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R243 E244 | R243-A247 WeakPolarHBondContact O-CB 3Å; R243-A247 PolarHBondContact O-N 3.07Å; E244-A247 WeakPolarHBondContact O-CB 3.45Å; E244-A247 PolarHBondContact O-N 2.88Å |
| 248 | E | 76.5 | Confident | 71.7 | Confident | 164 Ų | 164 | 83.3 Ų | 83.3 | 77% | 0.766 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -76.4 | -35.6 | 176.3 | -68.6 | 173.6 | -174.7 | 0 | 0 | 113 | E244 E245 R246 | E244-E248 WeakPolarHBondContact O-CG 3.38Å; E244-E248 PolarHBondContact O-N 3.08Å; E245-E248 PolarHBondContact O-N 3.29Å; R246-E248 PolarHBondContact O-N 3.36Å |
| 249 | T | 68.4 | Low | 69.1 | Low | 79 Ų | 79 | 86.2 Ų | 86.2 | 49% | 0.485 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -88.1 | -32.8 | -173.2 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | E245 R246 | E245-T249 VanDerWaalsContact O-CB 3.28Å; E245-T249 WeakPolarHBondContact O-CB 3.42Å; E245-T249 PolarHBondContact O-N 3.01Å; E245-T249 PolarHBondContact O-OG1 2.82Å; R246-T249 PolarHBondContact O-N 2.85Å |
| 250 | V | 63.2 | Low | 67.2 | Low | 33 Ų | 33 | 89.8 Ų | 89.8 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | trans | -102.4 | 98 | -167.4 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | R246 Y252 P265 | R246-V250 VanDerWaalsContact O-CB 3.3Å; R246-V250 WeakPolarHBondContact O-CB 3.1Å; R246-V250 WeakPolarHBondContact O-CG2 3.49Å; R246-V250 PolarHBondContact O-N 3.43Å; V250-Y252 HydrophobicContact CB-CE2 4.17Å; V250-Y252 HydrophobicContact CG1-CD2 3.9Å; V250-Y252 HydrophobicContact CG1-CE1 4.17Å; V250-Y252 HydrophobicContact CG1-CE2 3.51Å; V250-Y252 HydrophobicContact CG1-CG 4.39Å; V250-Y252 PolarHBondContact O-N 3.44Å; V250-P265 HydrophobicContact CB-CG 4.3Å; V250-P265 HydrophobicContact CG1-CB 4.28Å; V250-P265 HydrophobicContact CG1-CG 3.86Å; V250-P265 HydrophobicContact CG2-CB 3.62Å; V250-P265 HydrophobicContact CG2-CG 3.75Å | ||
| 251 | V | 59.8 | Low | 65.3 | Low | 133 Ų | 133 | 97 Ų | 97 | 81% | 0.806 | 51% | 0.512 | S | S | * | . | trans | -76.3 | 102 | 168.7 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 252 | Y | 56.5 | Low | 63.5 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 127.7 | 164.5 | -65.5 | -85.9 | 0 | 0 | 0 | 108.5 | V250 E254 L256 P265 | V250-Y252 HydrophobicContact CB-CE2 4.17Å; V250-Y252 HydrophobicContact CG1-CD2 3.9Å; V250-Y252 HydrophobicContact CG1-CE1 4.17Å; V250-Y252 HydrophobicContact CG1-CE2 3.51Å; V250-Y252 HydrophobicContact CG1-CG 4.39Å; V250-Y252 PolarHBondContact O-N 3.44Å; Y252-E254 PolarHBondContact O-N 3.38Å; Y252-L256 HydrophobicContact CG-CD1 4.43Å; Y252-P265 WeakPolarHBondContact OH-CG 3.14Å |
| 253 | P | 48.7 | Very low | 62 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 70% | 0.695 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.3 | 172.6 | 24.3 | -30 | 0 | 0 | 0 | 109.8 | ||
| 254 | E | 51.1 | Low | 61 | Low | 154 Ų | 154 | 104 Ų | 104 | 72% | 0.72 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -77.9 | 145.8 | 165.2 | -86.2 | -80.3 | 144.7 | 0 | 0 | 110 | Y252 | Y252-E254 PolarHBondContact O-N 3.38Š|
| 255 | P | 48.4 | Very low | 59.8 | Low | 97 Ų | 97 | 102.7 Ų | 102.7 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | cis | -102.7 | 128.5 | 7.6 | 13.7 | 6.9 | 0 | 0 | 0 | 114.2 | H257 | P255-H257 PolarHBondContact O-N 3.15Å; P255-H257 VanDerWaalsContact O-N 3.15Å |
| 256 | L | 48.6 | Very low | 58.9 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 32% | 0.319 | 58% | 0.579 | S | S | . | * | trans | -85.6 | 67.2 | 179.3 | -77.4 | 136.4 | 0 | 0 | 0 | 111.9 | Y252 R262 | Y252-L256 HydrophobicContact CG-CD1 4.43Å; L256-R262 VanDerWaalsContact CD1-NH2 3.29Å | ||
| 257 | H | 49.3 | Very low | 58.4 | Low | 168 Ų | 168 | 114 Ų | 114 | 78% | 0.778 | 60% | 0.601 | S | S | * | * | trans | -87.6 | -2.5 | 179.5 | -83.1 | 99.2 | 0 | 0 | 0 | 115.5 | P255 | P255-H257 PolarHBondContact O-N 3.15Å; P255-H257 VanDerWaalsContact O-N 3.15Å | ||
| 258 | Q | 44.5 | Very low | 58.5 | Low | 195 Ų | 195 | 110.7 Ų | 110.7 | 91% | 0.911 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -137.9 | 9 | -167.4 | -75.4 | -175.5 | -2.3 | 0 | 0 | 118.6 | ||
| 259 | A | 41.6 | Very low | 59 | Low | 62 Ų | 62 | 104.3 Ų | 104.3 | 51% | 0.512 | 55% | 0.545 | S | S | . | . | trans | -118.8 | 106.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y261 | A259-Y261 PolarHBondContact O-N 3.47Š| ||
| 260 | S | 53.6 | Low | 60.1 | Low | 139 Ų | 139 | 103.2 Ų | 103.2 | 97% | 0.972 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -66 | -7.6 | 168.5 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 261 | Y | 49.4 | Very low | 61.7 | Low | 171 Ų | 171 | 101.7 Ų | 101.7 | 67% | 0.671 | 53% | 0.526 | S | S | * | . | trans | -133.4 | 116.8 | 178.7 | -176 | -103 | 0 | 0 | 0 | 110.4 | A259 P263 | A259-Y261 PolarHBondContact O-N 3.47Å; Y261-P263 HydrophobicContact CE1-CB 4.25Å | ||
| 262 | R | 57 | Low | 63.5 | Low | 123 Ų | 123 | 97 Ų | 97 | 46% | 0.464 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 118.3 | 166.3 | -66.8 | -172.2 | -174.1 | -170.8 | 3.6 | 108 | L256 I264 | L256-R262 VanDerWaalsContact CD1-NH2 3.29Å; R262-I264 PolarHBondContact O-N 3.48Å |
| 263 | P | 60.8 | Low | 65.5 | Low | 89 Ų | 89 | 93.1 Ų | 93.1 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 137.4 | 171.8 | 23.9 | -30.2 | 0 | 0 | 0 | 109.1 | Y261 P265 | Y261-P263 HydrophobicContact CE1-CB 4.25Å; P263-P265 WeakPolarHBondContact O-CD 3.41Å |
| 264 | I | 64.1 | Low | 67.8 | Low | 100 Ų | 100 | 88 Ų | 88 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 123.5 | 177.8 | -60.5 | 172.2 | 0 | 0 | 0 | 107.4 | R262 K266 | R262-I264 PolarHBondContact O-N 3.48Å; I264-K266 PolarHBondContact O-N 2.87Å |
| 265 | P | 63.7 | Low | 70.1 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 133.7 | 178.1 | -25.9 | 34.4 | 0 | 0 | 0 | 110.4 | V250 Y252 P263 F267 | V250-P265 HydrophobicContact CB-CG 4.3Å; V250-P265 HydrophobicContact CG1-CB 4.28Å; V250-P265 HydrophobicContact CG1-CG 3.86Å; V250-P265 HydrophobicContact CG2-CB 3.62Å; V250-P265 HydrophobicContact CG2-CG 3.75Å; Y252-P265 WeakPolarHBondContact OH-CG 3.14Å; P263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-F267 WeakPolarHBondContact CB-O 3.23Å; P265-F267 PolarHBondContact O-N 3.27Å |
| 266 | K | 68.9 | Low | 72.5 | Confident | 182 Ų | 182 | 76.7 Ų | 76.7 | 79% | 0.791 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -66.1 | -23 | 176 | -70.5 | -174.2 | 177.8 | -177.9 | 0 | 112.4 | I264 | I264-K266 PolarHBondContact O-N 2.87Š|
| 267 | F | 73.1 | Confident | 74.8 | Confident | 146 Ų | 146 | 75.4 Ų | 75.4 | 64% | 0.64 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -130.5 | 140.9 | -177.5 | -66.4 | -78 | 0 | 0 | 0 | 111.2 | P265 | P265-F267 WeakPolarHBondContact CB-O 3.23Å; P265-F267 PolarHBondContact O-N 3.27Å |
| 268 | P | 80.6 | Confident | 77 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.071 | 36% | 0.359 | C | S | . | . | S | Bend | cis | -61.7 | 149.2 | -13 | 29.2 | -38.1 | 0 | 0 | 0 | 111.8 | E245 R246 | E245-P268 HydrophobicContact CB-CG 4.26Å; E245-P268 HydrophobicContact CG-CB 4.44Å; E245-P268 HydrophobicContact CG-CG 3.81Å; E245-P268 WeakPolarHBondContact OE2-CG 3.35Å; R246-P268 HydrophobicContact CG-CG 4.1Å |
| 269 | P | 87.3 | Confident | 79.4 | Confident | 30 Ų | 30 | 67.4 Ų | 67.4 | 20% | 0.195 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 146.4 | 179.9 | 28.6 | -35.2 | 0 | 0 | 0 | 110.3 | K223 T224 | K223-P269 HydrophobicContact CB-CG 3.99Å; T224-P269 HydrophobicContact CG2-CB 4.03Å |
| 270 | Q | 92.4 | Very high | 81.9 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 144.4 | 176.4 | -41.5 | -158.9 | -75.6 | 0 | 0 | 110.2 | T224 R246 L272 | T224-Q270 WeakPolarHBondContact CG2-O 3.49Å; R246-Q270 VanDerWaalsContact NH2-CG 3.28Å; Q270-L272 PolarHBondContact O-N 2.94Å |
| 271 | I | 96.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 131.3 | 171.2 | -55.6 | -47.1 | 0 | 0 | 0 | 109.2 | M213 K223 T224 I226 L238 E242 F273 V274 V287 R295 | M213-I271 HydrophobicContact CE-CD1 4.46Å; M213-I271 HydrophobicContact CE-CG1 4.25Å; M213-I271 HydrophobicContact SD-CD1 3.79Å; M213-I271 HydrophobicContact SD-CG1 3.47Å; M213-I271 WeakPolarHBondContact SD-CG1 3.45Å; K223-I271 WeakPolarHBondContact O-CD1 3.32Å; T224-I271 CarbonylContact O-C 3.56Å; T224-I271 WeakPolarHBondContact O-CA 3.03Å; T224-I271 WeakPolarHBondContact O-CG2 3.33Å; I226-I271 HydrophobicContact CD1-CG2 4.38Å; I226-I271 HydrophobicContact CG1-CG2 4.08Å; I226-I271 HydrophobicContact CG2-CD1 3.73Å; I226-I271 HydrophobicContact CG2-CG1 4.08Å; I226-I271 HydrophobicContact CG2-CG2 4.23Å; L238-I271 HydrophobicContact CD1-CB 4Å; L238-I271 HydrophobicContact CD1-CG1 3.63Å; L238-I271 HydrophobicContact CD1-CG2 4.44Å; L238-I271 HydrophobicContact CD2-CB 4.15Å; L238-I271 HydrophobicContact CD2-CG2 4.27Å; E242-I271 PolarHBondContact OE1-N 2.94Å; I271-F273 WeakPolarHBondContact CG2-O 3.31Å; I271-V274 HydrophobicContact CG2-CG2 4.25Å; I271-V287 HydrophobicContact CB-CG2 4.32Å; I271-V287 HydrophobicContact CG2-CG2 3.87Å; I271-V287 WeakPolarHBondContact O-CB 3.02Å; I271-R295 VanDerWaalsContact O-CD 3.25Å; I271-R295 WeakPolarHBondContact O-CD 3.25Å; I271-R295 PolarHBondContact O-NH1 3.16Å |
| 272 | L | 97 | Very high | 86.3 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | trans | -102.6 | -36.5 | 179.2 | -61.8 | 177.2 | 0 | 0 | 0 | 111 | T224 Q270 G286 V287 R295 L296 V345 | T224-L272 HydrophobicContact CG2-CD1 4.06Å; T224-L272 HydrophobicContact CG2-CG 4.25Å; T224-L272 PolarHBondContact O-N 3.26Å; Q270-L272 PolarHBondContact O-N 2.94Å; L272-G286 WeakPolarHBondContact O-CA 3.22Å; L272-V287 PolarHBondContact O-N 2.73Å; L272-R295 HydrophobicContact CD2-CB 3.78Å; L272-L296 HydrophobicContact CB-CB 4.3Å; L272-L296 HydrophobicContact CD1-CB 4.44Å; L272-L296 HydrophobicContact CD1-CD2 3.81Å; L272-L296 HydrophobicContact CD2-CB 4.17Å; L272-V345 HydrophobicContact CD1-CG2 4.08Å | ||
| 273 | F | 98.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.9 | -179.2 | -66.6 | -76.5 | 0 | 0 | 0 | 112.5 | T224 I225 I226 I271 V284 Q285 L296 F298 A341 V344 V345 | T224-F273 PolarHBondContact O-N 3.28Å; I225-F273 HydrophobicContact CG2-CB 4.46Å; I226-F273 PolarHBondContact N-O 3.24Å; I226-F273 VanDerWaalsContact N-O 3.12Å; I271-F273 WeakPolarHBondContact CG2-O 3.31Å; F273-V284 HydrophobicContact CB-CG1 4.29Å; F273-V284 HydrophobicContact CD1-CG1 3.74Å; F273-V284 HydrophobicContact CE1-CG1 4.4Å; F273-V284 HydrophobicContact CG-CG1 4.21Å; F273-Q285 WeakPolarHBondContact CA-O 3.26Å; F273-L296 HydrophobicContact CE2-CB 4.41Å; F273-L296 HydrophobicContact CE2-CD2 3.81Å; F273-L296 HydrophobicContact CE2-CG 4.14Å; F273-L296 HydrophobicContact CZ-CB 4.41Å; F273-L296 HydrophobicContact CZ-CD2 4.33Å; F273-L296 HydrophobicContact CZ-CG 4.16Å; F273-L296 WeakPolarHBondContact CZ-O 3.35Å; F273-F298 HydrophobicContact CE1-CE2 4.07Å; F273-F298 HydrophobicContact CE1-CZ 4.12Å; F273-A341 HydrophobicContact CB-CB 3.96Å; F273-A341 HydrophobicContact CD2-CB 3.9Å; F273-A341 HydrophobicContact CG-CB 3.91Å; F273-V344 HydrophobicContact CE2-CB 4.11Å; F273-V344 HydrophobicContact CE2-CG1 4.25Å; F273-V344 HydrophobicContact CZ-CB 4.02Å; F273-V344 HydrophobicContact CZ-CG1 3.92Å; F273-V345 HydrophobicContact CD2-CG2 3.93Å; F273-V345 HydrophobicContact CE2-CG2 3.91Å |
| 274 | V | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.9 | 168.9 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | I226 L228 W234 L238 I271 L276 Q285 V287 | I226-V274 HydrophobicContact CD1-CG1 4.3Å; I226-V274 HydrophobicContact CD1-CG2 3.93Å; I226-V274 HydrophobicContact CG1-CB 4.25Å; I226-V274 HydrophobicContact CG1-CG1 4.1Å; I226-V274 HydrophobicContact CG1-CG2 3.86Å; L228-V274 HydrophobicContact CD1-CG1 3.64Å; L228-V274 HydrophobicContact CD2-CG1 4.37Å; L228-V274 HydrophobicContact CG-CG1 3.76Å; W234-V274 HydrophobicContact CD2-CB 4.3Å; W234-V274 HydrophobicContact CD2-CG1 4.01Å; W234-V274 HydrophobicContact CD2-CG2 4.03Å; W234-V274 HydrophobicContact CE3-CB 4.5Å; W234-V274 HydrophobicContact CE3-CG2 3.74Å; W234-V274 HydrophobicContact CG-CG1 4.18Å; W234-V274 HydrophobicContact CH2-CB 4.27Å; W234-V274 HydrophobicContact CH2-CG2 3.7Å; W234-V274 HydrophobicContact CZ2-CB 4.01Å; W234-V274 HydrophobicContact CZ2-CG1 4.47Å; W234-V274 HydrophobicContact CZ2-CG2 3.95Å; W234-V274 HydrophobicContact CZ3-CG2 3.61Å; L238-V274 HydrophobicContact CD2-CG2 4.17Å; I271-V274 HydrophobicContact CG2-CG2 4.25Å; V274-L276 HydrophobicContact CG1-CD2 4.16Å; V274-Q285 PolarHBondContact N-O 3.36Å; V274-Q285 PolarHBondContact O-N 2.89Å; V274-V287 HydrophobicContact CG2-CG2 3.81Å |
| 275 | I | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.3 | 177.7 | -60.2 | 174 | 0 | 0 | 0 | 108.4 | I225 I226 V227 L228 W282 V283 V284 L334 A337 I338 A341 | I225-I275 HydrophobicContact CG2-CD1 3.72Å; I225-I275 HydrophobicContact CG2-CG1 4.26Å; I226-I275 PolarHBondContact O-N 2.82Å; V227-I275 CarbonylContact C-O 3.57Å; V227-I275 WeakPolarHBondContact CA-O 3.49Å; V227-I275 HydrophobicContact CG2-CB 4.13Å; V227-I275 HydrophobicContact CG2-CD1 4.37Å; L228-I275 PolarHBondContact N-O 3.08Å; I275-W282 HydrophobicContact CG2-CE3 3.8Å; I275-W282 HydrophobicContact CG2-CZ3 4.45Å; I275-V283 VanDerWaalsContact CA-O 3.28Å; I275-V283 WeakPolarHBondContact CA-O 3.37Å; I275-V284 HydrophobicContact CG1-CG1 4.25Å; I275-V284 HydrophobicContact CG1-CG2 4.24Å; I275-L334 HydrophobicContact CG2-CD1 3.9Å; I275-A337 HydrophobicContact CD1-CB 4.46Å; I275-A337 HydrophobicContact CG2-CB 3.89Å; I275-I338 HydrophobicContact CD1-CB 4.25Å; I275-I338 HydrophobicContact CD1-CG1 3.65Å; I275-A341 HydrophobicContact CD1-CB 4.2Å |
| 276 | L | 98.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.4 | -178 | 61.3 | 113.9 | 0 | 0 | 0 | 112 | L228 V274 V283 | L228-L276 HydrophobicContact CB-CB 4.14Å; L228-L276 HydrophobicContact CD1-CB 4.23Å; L228-L276 HydrophobicContact CD1-CD2 4.49Å; L228-L276 HydrophobicContact CG-CB 4.46Å; V274-L276 HydrophobicContact CG1-CD2 4.16Å; L276-V283 HydrophobicContact CG-CB 4.41Å; L276-V283 PolarHBondContact N-O 2.98Å; L276-V283 PolarHBondContact O-N 3.17Å |
| 277 | P | 97.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 22% | 0.221 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 140.6 | 177.8 | 29.9 | -35 | 0 | 0 | 0 | 111.3 | L228 N281 W282 | L228-P277 WeakPolarHBondContact O-CD 3.15Å; P277-N281 CarbonylContact C-O 3.54Å; P277-N281 WeakPolarHBondContact CA-O 3.45Å; P277-W282 HydrophobicContact CB-CE3 4.34Å; P277-W282 HydrophobicContact CB-CH2 4.38Å; P277-W282 HydrophobicContact CB-CZ3 4.24Å; P277-W282 HydrophobicContact CG-CZ3 4.4Å |
| 278 | S | 96 | Very high | 95.5 | Very high | 43 Ų | 43 | 31 Ų | 31 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 122 | 175.1 | -165.3 | 0 | 0 | 0 | 0 | 109.9 | G280 N281 | S278-G280 VanDerWaalsContact C-N 3.3Å; S278-G280 PolarHBondContact O-N 3.37Å; S278-N281 PolarHBondContact N-O 2.87Å; S278-N281 CarbonylContact O-C 3.57Å; S278-N281 WeakPolarHBondContact O-CA 3.2Å; S278-N281 WeakPolarHBondContact O-CB 3.3Å; S278-N281 PolarHBondContact O-N 2.89Å |
| 279 | D | 93.1 | Very high | 95.7 | Very high | 153 Ų | 153 | 36.8 Ų | 36.8 | 82% | 0.818 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 46 | 173.4 | -53.2 | -44.2 | 0 | 0 | 0 | 114.5 | N281 | D279-N281 PolarHBondContact O-N 3.37Å; D279-N281 PolarHBondContact O-ND2 2.86Å |
| 280 | G | 94.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 81% | 0.814 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -0.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S278 | S278-G280 VanDerWaalsContact C-N 3.3Å; S278-G280 PolarHBondContact O-N 3.37Å |
| 281 | N | 97.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -174.7 | 177.4 | -57 | -66.3 | 0 | 0 | 0 | 110.7 | P277 S278 D279 I320 | P277-N281 CarbonylContact C-O 3.54Å; P277-N281 WeakPolarHBondContact CA-O 3.45Å; S278-N281 PolarHBondContact N-O 2.87Å; S278-N281 CarbonylContact O-C 3.57Å; S278-N281 WeakPolarHBondContact O-CA 3.2Å; S278-N281 WeakPolarHBondContact O-CB 3.3Å; S278-N281 PolarHBondContact O-N 2.89Å; D279-N281 PolarHBondContact O-N 3.37Å; D279-N281 PolarHBondContact O-ND2 2.86Å; N281-I320 HydrophobicContact CB-CD1 3.73Å; N281-I320 VanDerWaalsContact OD1-CD1 3.31Å; N281-I320 WeakPolarHBondContact OD1-CD1 3.4Å |
| 282 | W | 98.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.7 | -179.7 | -68.5 | 85.8 | 0 | 0 | 0 | 110.9 | V227 I275 P277 S330 N331 L334 A337 | V227-W282 HydrophobicContact CG1-CZ3 3.96Å; I275-W282 HydrophobicContact CG2-CE3 3.8Å; I275-W282 HydrophobicContact CG2-CZ3 4.45Å; P277-W282 HydrophobicContact CB-CE3 4.34Å; P277-W282 HydrophobicContact CB-CH2 4.38Å; P277-W282 HydrophobicContact CB-CZ3 4.24Å; P277-W282 HydrophobicContact CG-CZ3 4.4Å; W282-S330 CarbonylContact O-C 3.55Å; W282-S330 VanDerWaalsContact O-CA 3.31Å; W282-S330 WeakPolarHBondContact O-CA 3.48Å; W282-S330 PolarHBondContact O-OG 3.43Å; W282-N331 PolarHBondContact N-O 3.11Å; W282-N331 PolarHBondContact O-N 2.88Å; W282-L334 HydrophobicContact CD2-CB 3.94Å; W282-L334 HydrophobicContact CD2-CD1 4Å; W282-L334 HydrophobicContact CE3-CB 4.47Å; W282-L334 HydrophobicContact CE3-CD1 3.69Å; W282-L334 HydrophobicContact CG-CB 4.33Å; W282-L334 HydrophobicContact CH2-CB 4.35Å; W282-L334 HydrophobicContact CH2-CD1 4.04Å; W282-L334 HydrophobicContact CH2-CD2 4.04Å; W282-L334 HydrophobicContact CH2-CG 4.37Å; W282-L334 HydrophobicContact CZ2-CB 3.84Å; W282-L334 HydrophobicContact CZ2-CD1 4.36Å; W282-L334 HydrophobicContact CZ2-CD2 4.17Å; W282-L334 HydrophobicContact CZ2-CG 4.34Å; W282-L334 HydrophobicContact CZ3-CD1 3.7Å; W282-A337 HydrophobicContact CB-CB 3.66Å |
| 283 | V | 98.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 11% | 0.109 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 133.1 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 109.1 | I275 L276 Q285 L328 G329 | I275-V283 VanDerWaalsContact CA-O 3.28Å; I275-V283 WeakPolarHBondContact CA-O 3.37Å; L276-V283 HydrophobicContact CG-CB 4.41Å; L276-V283 PolarHBondContact N-O 2.98Å; L276-V283 PolarHBondContact O-N 3.17Å; V283-Q285 HydrophobicContact CG1-CB 4.43Å; V283-L328 HydrophobicContact CG1-CD1 3.75Å; V283-L328 HydrophobicContact CG1-CD2 4.39Å; V283-L328 HydrophobicContact CG1-CG 3.84Å; V283-G329 WeakPolarHBondContact CA-O 3.41Å |
| 284 | V | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 106.4 | 171.5 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | F273 I275 F298 L328 G329 A337 M340 A341 | F273-V284 HydrophobicContact CB-CG1 4.29Å; F273-V284 HydrophobicContact CD1-CG1 3.74Å; F273-V284 HydrophobicContact CE1-CG1 4.4Å; F273-V284 HydrophobicContact CG-CG1 4.21Å; I275-V284 HydrophobicContact CG1-CG1 4.25Å; I275-V284 HydrophobicContact CG1-CG2 4.24Å; V284-F298 HydrophobicContact CB-CE2 4.42Å; V284-F298 HydrophobicContact CB-CZ 3.85Å; V284-F298 HydrophobicContact CG1-CE2 4.28Å; V284-F298 HydrophobicContact CG1-CZ 3.61Å; V284-L328 WeakPolarHBondContact O-CA 3.44Å; V284-G329 PolarHBondContact N-O 3.39Å; V284-G329 PolarHBondContact O-N 3Å; V284-A337 HydrophobicContact CG2-CB 3.56Å; V284-A337 VanDerWaalsContact CG2-O 3.3Å; V284-A337 WeakPolarHBondContact CG2-O 3.42Å; V284-M340 HydrophobicContact CG2-CB 4.45Å; V284-A341 HydrophobicContact CG1-CB 3.92Å |
| 285 | Q | 97.9 | Very high | 91.2 | Very high | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.6 | -177 | -168.4 | 164.9 | 33.9 | 0 | 0 | 110.8 | W234 F273 V274 V283 | W234-Q285 HydrophobicContact CZ2-CB 4.39Å; W234-Q285 HydrophobicContact CZ2-CG 4.08Å; F273-Q285 WeakPolarHBondContact CA-O 3.26Å; V274-Q285 PolarHBondContact N-O 3.36Å; V274-Q285 PolarHBondContact O-N 2.89Å; V283-Q285 HydrophobicContact CG1-CB 4.43Å |
| 286 | G | 97.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L272 H327 | L272-G286 WeakPolarHBondContact O-CA 3.22Å; G286-H327 PolarHBondContact N-O 3.42Å |
| 287 | V | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 129.6 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | W234 L238 F239 I271 L272 V274 R295 | W234-V287 HydrophobicContact CH2-CG2 4.12Å; W234-V287 HydrophobicContact CZ3-CG2 4.22Å; L238-V287 HydrophobicContact CD2-CB 4.42Å; L238-V287 HydrophobicContact CD2-CG1 3.74Å; L238-V287 HydrophobicContact CD2-CG2 3.68Å; F239-V287 HydrophobicContact CE1-CG1 4.12Å; F239-V287 HydrophobicContact CZ-CG1 4.2Å; I271-V287 HydrophobicContact CB-CG2 4.32Å; I271-V287 HydrophobicContact CG2-CG2 3.87Å; I271-V287 WeakPolarHBondContact O-CB 3.02Å; L272-V287 PolarHBondContact O-N 2.73Å; V274-V287 HydrophobicContact CG2-CG2 3.81Å; V287-R295 HydrophobicContact CB-CG 4.49Å; V287-R295 WeakPolarHBondContact O-CB 3.33Å; V287-R295 WeakPolarHBondContact O-CG 3.33Å; V287-R295 PolarHBondContact O-N 2.96Å |
| 288 | P | 93.3 | Very high | 91 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 26% | 0.26 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 147.7 | 175.4 | -21.8 | 32.7 | 0 | 0 | 0 | 112.6 | F239 D293 I294 R295 | F239-P288 HydrophobicContact CZ-CB 4.28Å; F239-P288 WeakPolarHBondContact CZ-O 3.46Å; P288-D293 WeakPolarHBondContact CA-O 3.5Å; P288-I294 HydrophobicContact CG-CD1 4.46Å; P288-R295 PolarHBondContact O-NE 3.32Å |
| 289 | K | 85.1 | Confident | 91 | Very high | 132 Ų | 132 | 64.9 Ų | 64.9 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | trans | -95.9 | -89.7 | 171.2 | -173.6 | -176.3 | 179.5 | -177.6 | 0 | 109.9 | D293 R295 | K289-D293 PolarHBondContact N-O 2.81Å; K289-R295 HydrophobicContact CB-CG 4.07Å | ||
| 290 | D | 70.5 | Confident | 91.1 | Very high | 125 Ų | 125 | 63.1 Ų | 63.1 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -137.9 | 145.7 | 172.4 | -84.1 | -40.2 | 0 | 0 | 0 | 106.8 | D293 | D290-D293 WeakPolarHBondContact O-CB 3.49Å; D290-D293 PolarHBondContact O-N 3.28Å |
| 291 | K | 62.2 | Low | 91.1 | Very high | 189 Ų | 189 | 65.2 Ų | 65.2 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 81.5 | 170.2 | -62.1 | 179.9 | -179 | 176.8 | 0 | 114.9 | D293 | K291-D293 PolarHBondContact O-N 2.52Š|
| 292 | F | 71.9 | Confident | 91.1 | Very high | 212 Ų | 212 | 63 Ų | 63 | 93% | 0.93 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -9.1 | 177 | -56.2 | -74.9 | 0 | 0 | 0 | 117.2 | ||
| 293 | D | 85 | Confident | 91.1 | Very high | 107 Ų | 107 | 63.5 Ų | 63.5 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | trans | -77.8 | 147.2 | 174.2 | -67.2 | -29.8 | 0 | 0 | 0 | 110.8 | P288 K289 D290 K291 | P288-D293 WeakPolarHBondContact CA-O 3.5Å; K289-D293 PolarHBondContact N-O 2.81Å; D290-D293 WeakPolarHBondContact O-CB 3.49Å; D290-D293 PolarHBondContact O-N 3.28Å; K291-D293 PolarHBondContact O-N 2.52Å | ||
| 294 | I | 92 | Very high | 91 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 18% | 0.179 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -108.1 | 142.2 | 177 | -56.7 | -60.7 | 0 | 0 | 0 | 108.4 | P288 L296 H327 | P288-I294 HydrophobicContact CG-CD1 4.46Å; I294-L296 VanDerWaalsContact C-N 3.26Å; I294-L296 PolarHBondContact O-N 2.68Å; I294-H327 HydrophobicContact CD1-CB 3.77Å; I294-H327 HydrophobicContact CG1-CB 3.59Å |
| 295 | R | 94.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 67.7 Ų | 67.7 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -57 | -41.4 | -179 | -69.8 | 179 | -174.5 | -176.9 | -10.8 | 112.2 | E242 I271 L272 V287 P288 K289 | E242-R295 VanDerWaalsContact CD-NH1 3.32Å; E242-R295 IonicContact OE1-CZ 2.72Å; E242-R295 IonicContact OE1-NH1 2.66Å; E242-R295 PolarHBondContact OE1-NH1 2.87Å; E242-R295 IonicContact OE1-NH2 3.06Å; E242-R295 IonicContact OE2-CZ 2.78Å; E242-R295 IonicContact OE2-NH1 2.71Å; E242-R295 PolarHBondContact OE2-NH1 3.02Å; E242-R295 IonicContact OE2-NH2 3.77Å; E242-R295 PolarHBondContact OE2-NH2 3.31Å; I271-R295 VanDerWaalsContact O-CD 3.25Å; I271-R295 WeakPolarHBondContact O-CD 3.25Å; I271-R295 PolarHBondContact O-NH1 3.16Å; L272-R295 HydrophobicContact CD2-CB 3.78Å; V287-R295 HydrophobicContact CB-CG 4.49Å; V287-R295 WeakPolarHBondContact O-CB 3.33Å; V287-R295 WeakPolarHBondContact O-CG 3.33Å; V287-R295 PolarHBondContact O-N 2.96Å; P288-R295 PolarHBondContact O-NE 3.32Å; K289-R295 HydrophobicContact CB-CG 4.07Å |
| 296 | L | 95.4 | Very high | 90.9 | Very high | 20 Ų | 20 | 71.7 Ų | 71.7 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -146.3 | 101.9 | 173.7 | -178.7 | 58.5 | 0 | 0 | 0 | 109.5 | L272 F273 I294 V344 V345 | L272-L296 HydrophobicContact CB-CB 4.3Å; L272-L296 HydrophobicContact CD1-CB 4.44Å; L272-L296 HydrophobicContact CD1-CD2 3.81Å; L272-L296 HydrophobicContact CD2-CB 4.17Å; F273-L296 HydrophobicContact CE2-CB 4.41Å; F273-L296 HydrophobicContact CE2-CD2 3.81Å; F273-L296 HydrophobicContact CE2-CG 4.14Å; F273-L296 HydrophobicContact CZ-CB 4.41Å; F273-L296 HydrophobicContact CZ-CD2 4.33Å; F273-L296 HydrophobicContact CZ-CG 4.16Å; F273-L296 WeakPolarHBondContact CZ-O 3.35Å; I294-L296 VanDerWaalsContact C-N 3.26Å; I294-L296 PolarHBondContact O-N 2.68Å; L296-V344 HydrophobicContact CD1-CG1 4.25Å; L296-V344 HydrophobicContact CD2-CG1 4.03Å; L296-V344 HydrophobicContact CG-CG1 3.88Å; L296-V345 HydrophobicContact CD2-CG2 4.07Å |
| 297 | P | 95.9 | Very high | 90.8 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 157 | 177.4 | 32.8 | -35.2 | 0 | 0 | 0 | 111.6 | G326 | P297-G326 CarbonylContact C-O 3.56Å; P297-G326 WeakPolarHBondContact CA-O 3.26Å |
| 298 | F | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 148.9 | 169.1 | -76.8 | -78.6 | 0 | 0 | 0 | 111.9 | F273 V284 W302 R303 V322 G326 G329 M340 V344 | F273-F298 HydrophobicContact CE1-CE2 4.07Å; F273-F298 HydrophobicContact CE1-CZ 4.12Å; V284-F298 HydrophobicContact CB-CE2 4.42Å; V284-F298 HydrophobicContact CB-CZ 3.85Å; V284-F298 HydrophobicContact CG1-CE2 4.28Å; V284-F298 HydrophobicContact CG1-CZ 3.61Å; F298-W302 AromaticContact CD1-CE3 3.57Å; F298-W302 HydrophobicContact CD1-CE3 3.57Å; F298-W302 AromaticContact CD1-CZ3 3.84Å; F298-W302 HydrophobicContact CD1-CZ3 3.84Å; F298-W302 HydrophobicContact CE1-CE3 4.07Å; F298-W302 AromaticContact CE1-CZ3 3.93Å; F298-W302 HydrophobicContact CE1-CZ3 3.93Å; F298-R303 PolarHBondContact O-NE 3.06Å; F298-R303 PolarHBondContact O-NH2 2.96Å; F298-V322 HydrophobicContact CB-CG1 3.61Å; F298-V322 HydrophobicContact CD1-CG2 4.34Å; F298-V322 HydrophobicContact CD2-CG1 4.02Å; F298-V322 HydrophobicContact CG-CG1 3.82Å; F298-V322 HydrophobicContact CG-CG2 4.34Å; F298-G326 WeakPolarHBondContact CD2-O 3.45Å; F298-G326 PolarHBondContact N-O 2.68Å; F298-G329 VanDerWaalsContact CE2-N 3.34Å; F298-M340 HydrophobicContact CE1-CB 4.33Å; F298-M340 HydrophobicContact CE1-CE 4.08Å; F298-M340 HydrophobicContact CZ-CE 4.4Å; F298-V344 HydrophobicContact CD1-CG2 3.63Å; F298-V344 HydrophobicContact CE1-CG2 3.9Å |
| 299 | P | 96 | Very high | 91 | Very high | 22 Ų | 22 | 86 Ų | 86 | 14% | 0.143 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -57 | 145.9 | 179.7 | -24.4 | 34.3 | 0 | 0 | 0 | 111.9 | D301 W302 R303 V344 E347 | P299-D301 PolarHBondContact O-N 3.07Å; P299-W302 HydrophobicContact CB-CG 4.3Å; P299-W302 HydrophobicContact CG-CD2 4.23Å; P299-W302 HydrophobicContact CG-CG 4.33Å; P299-W302 PolarHBondContact O-N 2.94Å; P299-R303 WeakPolarHBondContact O-CG 3.29Å; P299-V344 HydrophobicContact CG-CG2 4.23Å; P299-E347 VanDerWaalsContact CG-OE2 3.3Å; P299-E347 WeakPolarHBondContact CG-OE2 3.42Å |
| 300 | N | 95.5 | Very high | 91.6 | Very high | 116 Ų | 116 | 79.7 Ų | 79.7 | 62% | 0.62 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -55.2 | -39.8 | -179.6 | -75.3 | -24.9 | 0 | 0 | 0 | 112.1 | W302 R303 | N300-W302 PolarHBondContact O-N 3.3Å; N300-R303 WeakPolarHBondContact O-CB 3.34Å; N300-R303 PolarHBondContact O-N 3.3Å; N300-R303 VanDerWaalsContact O-N 3.07Å; N300-R303 PolarHBondContact OD1-NE 3.22Å; N300-R303 PolarHBondContact OD1-NH1 3.33Å; N300-R303 PolarHBondContact OD1-NH2 2.99Å |
| 301 | D | 95.9 | Very high | 92.9 | Very high | 122 Ų | 122 | 75 Ų | 75 | 65% | 0.652 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -68 | -16.1 | -177.5 | -59.5 | -14.9 | 0 | 0 | 0 | 113.2 | P299 L305 M313 | P299-D301 PolarHBondContact O-N 3.07Å; D301-L305 WeakPolarHBondContact O-CD1 3.42Å; D301-M313 HydrophobicContact CB-SD 4.35Å |
| 302 | W | 97.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 2% | 0.023 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -89.4 | -22.8 | 174.8 | -66.5 | 17 | 0 | 0 | 0 | 112.2 | F298 P299 N300 L305 L310 T314 I316 V322 M340 F343 V344 | F298-W302 AromaticContact CD1-CE3 3.57Å; F298-W302 HydrophobicContact CD1-CE3 3.57Å; F298-W302 AromaticContact CD1-CZ3 3.84Å; F298-W302 HydrophobicContact CD1-CZ3 3.84Å; F298-W302 HydrophobicContact CE1-CE3 4.07Å; F298-W302 AromaticContact CE1-CZ3 3.93Å; F298-W302 HydrophobicContact CE1-CZ3 3.93Å; P299-W302 HydrophobicContact CB-CG 4.3Å; P299-W302 HydrophobicContact CG-CD2 4.23Å; P299-W302 HydrophobicContact CG-CG 4.33Å; P299-W302 PolarHBondContact O-N 2.94Å; N300-W302 PolarHBondContact O-N 3.3Å; W302-L305 WeakPolarHBondContact O-CB 3.47Å; W302-L305 PolarHBondContact O-N 3.27Å; W302-L310 HydrophobicContact CB-CD1 3.96Å; W302-L310 HydrophobicContact CD2-CD1 4.45Å; W302-L310 HydrophobicContact CG-CD1 4.18Å; W302-T314 HydrophobicContact CD2-CG2 3.46Å; W302-T314 VanDerWaalsContact CD2-CG2 3.46Å; W302-T314 HydrophobicContact CE3-CG2 3.73Å; W302-T314 HydrophobicContact CG-CG2 4.08Å; W302-T314 HydrophobicContact CH2-CG2 3.68Å; W302-T314 HydrophobicContact CZ2-CG2 3.39Å; W302-T314 HydrophobicContact CZ3-CG2 3.84Å; W302-I316 HydrophobicContact CH2-CD1 3.98Å; W302-V322 HydrophobicContact CB-CB 4.48Å; W302-V322 HydrophobicContact CB-CG1 4.48Å; W302-V322 HydrophobicContact CB-CG2 4.27Å; W302-V322 HydrophobicContact CE3-CG2 4.39Å; W302-V322 WeakPolarHBondContact O-CB 3.07Å; W302-M340 HydrophobicContact CE3-CE 4.38Å; W302-M340 HydrophobicContact CZ3-CB 4.25Å; W302-M340 HydrophobicContact CZ3-CE 4.23Å; W302-M340 HydrophobicContact CZ3-CG 4.27Å; W302-F343 HydrophobicContact CH2-CB 3.92Å; W302-F343 AromaticContact CH2-CD1 3.51Å; W302-F343 HydrophobicContact CH2-CD1 3.51Å; W302-F343 HydrophobicContact CH2-CE1 4.22Å; W302-F343 AromaticContact CH2-CG 3.77Å; W302-F343 HydrophobicContact CH2-CG 3.77Å; W302-F343 HydrophobicContact CZ2-CB 4.42Å; W302-F343 AromaticContact CZ2-CD1 3.26Å; W302-F343 HydrophobicContact CZ2-CD1 3.26Å; W302-F343 HydrophobicContact CZ2-CD2 4.38Å; W302-F343 AromaticContact CZ2-CE1 3.48Å; W302-F343 HydrophobicContact CZ2-CE1 3.48Å; W302-F343 VanDerWaalsContact CZ2-CE1 3.48Å; W302-F343 AromaticContact CZ2-CG 3.77Å; W302-F343 HydrophobicContact CZ2-CG 3.77Å; W302-F343 HydrophobicContact CZ2-CZ 4.13Å; W302-V344 HydrophobicContact CE3-CG2 4.49Å; W302-V344 HydrophobicContact CH2-CG2 4.27Å; W302-V344 HydrophobicContact CZ3-CG2 3.99Å |
| 303 | R | 96.7 | Very high | 95.7 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 136.3 | -168 | -64.4 | 176.1 | -167.1 | -173.8 | 3 | 111.1 | F298 P299 N300 L305 V322 N324 | F298-R303 PolarHBondContact O-NE 3.06Å; F298-R303 PolarHBondContact O-NH2 2.96Å; P299-R303 WeakPolarHBondContact O-CG 3.29Å; N300-R303 WeakPolarHBondContact O-CB 3.34Å; N300-R303 PolarHBondContact O-N 3.3Å; N300-R303 VanDerWaalsContact O-N 3.07Å; N300-R303 PolarHBondContact OD1-NE 3.22Å; N300-R303 PolarHBondContact OD1-NH1 3.33Å; N300-R303 PolarHBondContact OD1-NH2 2.99Å; R303-L305 PolarHBondContact O-N 3.09Å; R303-V322 HydrophobicContact CG-CG1 4.28Å; R303-N324 WeakPolarHBondContact CD-O 3.28Å |
| 304 | S | 96.9 | Very high | 96.2 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 1.7 | -176 | -49.3 | 0 | 0 | 0 | 0 | 115.1 | V322 N324 | S304-V322 WeakPolarHBondContact CA-O 3.38Å; S304-V322 PolarHBondContact N-O 3.37Å; S304-N324 VanDerWaalsContact OG-CB 3.29Å; S304-N324 WeakPolarHBondContact OG-CB 3.38Å; S304-N324 PolarHBondContact OG-OD1 3.39Å; S304-N324 VanDerWaalsContact OG-OD1 3.12Å |
| 305 | L | 96.3 | Very high | 96.4 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | trans | -76.9 | 150.3 | 169.6 | -60.8 | -172.6 | 0 | 0 | 0 | 110.8 | D301 W302 R303 Q309 L310 M313 F321 V322 | D301-L305 WeakPolarHBondContact O-CD1 3.42Å; W302-L305 WeakPolarHBondContact O-CB 3.47Å; W302-L305 PolarHBondContact O-N 3.27Å; R303-L305 PolarHBondContact O-N 3.09Å; L305-Q309 HydrophobicContact CD2-CB 4.49Å; L305-L310 HydrophobicContact CB-CB 3.87Å; L305-L310 HydrophobicContact CB-CD1 4.01Å; L305-L310 HydrophobicContact CB-CG 4.46Å; L305-M313 HydrophobicContact CD1-CB 3.74Å; L305-M313 HydrophobicContact CD1-CG 3.85Å; L305-F321 WeakPolarHBondContact O-CA 3.19Å; L305-V322 PolarHBondContact O-N 3.4Å | ||
| 306 | Q | 96.8 | Very high | 96.6 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -134.9 | 155.3 | -178.3 | -57.6 | -176.9 | 16.3 | 0 | 0 | 111 | D308 Q309 L310 I320 F321 | Q306-D308 PolarHBondContact O-N 2.71Å; Q306-Q309 WeakPolarHBondContact O-CB 3.2Å; Q306-Q309 PolarHBondContact O-N 2.9Å; Q306-Q309 VanDerWaalsContact O-N 3.12Å; Q306-L310 PolarHBondContact O-N 3.46Å; Q306-I320 CarbonylContact C-O 3.56Å; Q306-I320 WeakPolarHBondContact CA-O 3.48Å; Q306-F321 HydrophobicContact CG-CB 3.94Å |
| 307 | D | 96.8 | Very high | 96.7 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | 41.3 | -121.1 | 170.1 | -61.7 | -53.1 | 0 | 0 | 0 | 113.9 | Q309 L310 C311 C319 I320 | D307-Q309 VanDerWaalsContact C-N 3.3Å; D307-Q309 PolarHBondContact O-N 2.79Å; D307-L310 PolarHBondContact O-N 3.04Å; D307-L310 VanDerWaalsContact O-N 3.17Å; D307-C311 PolarHBondContact O-N 2.81Å; D307-C311 PolarHBondContact O-SG 2.96Å; D307-C319 WeakPolarHBondContact CA-O 3.45Å; D307-I320 PolarHBondContact N-O 2.81Å |
| 308 | D | 96.8 | Very high | 96.8 | Very high | 135 Ų | 135 | 62.4 Ų | 62.4 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.6 | -33.7 | -173.9 | -66.8 | -19.4 | 0 | 0 | 0 | 112.8 | Q306 L310 C311 A312 | Q306-D308 PolarHBondContact O-N 2.71Å; D308-L310 VanDerWaalsContact C-N 3.35Å; D308-C311 PolarHBondContact O-N 3.39Å; D308-A312 VanDerWaalsContact O-CB 3.26Å; D308-A312 WeakPolarHBondContact O-CB 3.07Å; D308-A312 PolarHBondContact O-N 3Å |
| 309 | Q | 97.2 | Very high | 96.8 | Very high | 133 Ų | 133 | 62.4 Ų | 62.4 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 176.9 | -65.6 | -177.9 | -23.5 | 0 | 0 | 110.7 | L305 Q306 D307 M313 | L305-Q309 HydrophobicContact CD2-CB 4.49Å; Q306-Q309 WeakPolarHBondContact O-CB 3.2Å; Q306-Q309 PolarHBondContact O-N 2.9Å; Q306-Q309 VanDerWaalsContact O-N 3.12Å; D307-Q309 VanDerWaalsContact C-N 3.3Å; D307-Q309 PolarHBondContact O-N 2.79Å; Q309-M313 WeakPolarHBondContact O-CB 3.42Å; Q309-M313 PolarHBondContact O-N 3.13Å |
| 310 | L | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.6 | -40.8 | 176.9 | -177.3 | 60.5 | 0 | 0 | 0 | 111 | W302 L305 Q306 D307 D308 A312 M313 T314 C319 V322 M340 | W302-L310 HydrophobicContact CB-CD1 3.96Å; W302-L310 HydrophobicContact CD2-CD1 4.45Å; W302-L310 HydrophobicContact CG-CD1 4.18Å; L305-L310 HydrophobicContact CB-CB 3.87Å; L305-L310 HydrophobicContact CB-CD1 4.01Å; L305-L310 HydrophobicContact CB-CG 4.46Å; Q306-L310 PolarHBondContact O-N 3.46Å; D307-L310 PolarHBondContact O-N 3.04Å; D307-L310 VanDerWaalsContact O-N 3.17Å; D308-L310 VanDerWaalsContact C-N 3.35Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-A312 PolarHBondContact O-N 3.08Å; L310-M313 PolarHBondContact O-N 3.49Å; L310-T314 HydrophobicContact CD1-CG2 3.55Å; L310-T314 HydrophobicContact CG-CG2 4.06Å; L310-T314 WeakPolarHBondContact O-CB 3.48Å; L310-T314 WeakPolarHBondContact O-CG2 3.48Å; L310-T314 PolarHBondContact O-N 2.81Å; L310-T314 PolarHBondContact O-OG1 3.1Å; L310-C319 HydrophobicContact CB-CB 4.07Å; L310-C319 HydrophobicContact CD2-CB 3.63Å; L310-C319 HydrophobicContact CG-CB 3.62Å; L310-V322 HydrophobicContact CD1-CG2 4.11Å; L310-V322 HydrophobicContact CD2-CG2 3.86Å; L310-M340 HydrophobicContact CD2-CE 4.46Å |
| 311 | C | 97.5 | Very high | 97 | Very high | 27 Ų | 27 | 60.9 Ų | 60.9 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 173.6 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | D307 D308 T314 G315 I316 C319 | D307-C311 PolarHBondContact O-N 2.81Å; D307-C311 PolarHBondContact O-SG 2.96Å; D308-C311 PolarHBondContact O-N 3.39Å; C311-T314 PolarHBondContact O-N 3.39Å; C311-T314 PolarHBondContact O-OG1 3.48Å; C311-G315 WeakPolarHBondContact O-CA 3.45Å; C311-G315 PolarHBondContact O-N 3.39Å; C311-I316 WeakPolarHBondContact CA-O 3.33Å; C311-C319 PolarHBondContact SG-N 2.99Å; C311-C319 VanDerWaalsContact SG-N 3.42Å |
| 312 | A | 97.2 | Very high | 97.1 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D308 L310 | D308-A312 VanDerWaalsContact O-CB 3.26Å; D308-A312 WeakPolarHBondContact O-CB 3.07Å; D308-A312 PolarHBondContact O-N 3Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-A312 PolarHBondContact O-N 3.08Å |
| 313 | M | 96.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 47% | 0.468 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 178.5 | -175.4 | 65.9 | -95.3 | 0 | 0 | 112.4 | D301 L305 Q309 L310 | D301-M313 HydrophobicContact CB-SD 4.35Å; L305-M313 HydrophobicContact CD1-CB 3.74Å; L305-M313 HydrophobicContact CD1-CG 3.85Å; Q309-M313 WeakPolarHBondContact O-CB 3.42Å; Q309-M313 PolarHBondContact O-N 3.13Å; L310-M313 PolarHBondContact O-N 3.49Å |
| 314 | T | 95.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -84.8 | -26.7 | -175.8 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | W302 L310 C311 I316 | W302-T314 HydrophobicContact CD2-CG2 3.46Å; W302-T314 VanDerWaalsContact CD2-CG2 3.46Å; W302-T314 HydrophobicContact CE3-CG2 3.73Å; W302-T314 HydrophobicContact CG-CG2 4.08Å; W302-T314 HydrophobicContact CH2-CG2 3.68Å; W302-T314 HydrophobicContact CZ2-CG2 3.39Å; W302-T314 HydrophobicContact CZ3-CG2 3.84Å; L310-T314 HydrophobicContact CD1-CG2 3.55Å; L310-T314 HydrophobicContact CG-CG2 4.06Å; L310-T314 WeakPolarHBondContact O-CB 3.48Å; L310-T314 WeakPolarHBondContact O-CG2 3.48Å; L310-T314 PolarHBondContact O-N 2.81Å; L310-T314 PolarHBondContact O-OG1 3.1Å; C311-T314 PolarHBondContact O-N 3.39Å; C311-T314 PolarHBondContact O-OG1 3.48Å; T314-I316 PolarHBondContact O-N 2.86Å; T314-I316 PolarHBondContact OG1-N 3.49Å |
| 315 | G | 96.7 | Very high | 96.9 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 72% | 0.722 | 36% | 0.356 | S | S | * | . | trans | 71.2 | 7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C311 | C311-G315 WeakPolarHBondContact O-CA 3.45Å; C311-G315 PolarHBondContact O-N 3.39Å | ||
| 316 | I | 97.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | trans | -103.2 | 124.8 | -176.8 | -58.8 | 168.1 | 0 | 0 | 0 | 108.8 | W302 C311 T314 C319 E339 M340 F343 | W302-I316 HydrophobicContact CH2-CD1 3.98Å; C311-I316 WeakPolarHBondContact CA-O 3.33Å; T314-I316 PolarHBondContact O-N 2.86Å; T314-I316 PolarHBondContact OG1-N 3.49Å; I316-C319 PolarHBondContact O-SG 3.14Å; I316-E339 HydrophobicContact CD1-CB 4.13Å; I316-E339 HydrophobicContact CG1-CB 4.35Å; I316-E339 HydrophobicContact CG2-CB 4.13Å; I316-M340 HydrophobicContact CD1-CB 4.33Å; I316-M340 HydrophobicContact CD1-CG 3.83Å; I316-M340 HydrophobicContact CG2-CG 4.26Å; I316-F343 HydrophobicContact CD1-CB 4.4Å | ||
| 317 | S | 97.7 | Very high | 96.9 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 148.2 | 177.8 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | C319 N331 | S317-C319 VanDerWaalsContact C-N 3.3Å; S317-C319 PolarHBondContact O-N 2.93Å; S317-N331 PolarHBondContact O-ND2 3.29Å; S317-N331 VanDerWaalsContact O-ND2 3.09Å |
| 318 | G | 97.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 19% | 0.186 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N331 K332 | G318-N331 CarbonylContact O-C 3.38Å; G318-N331 WeakPolarHBondContact O-CA 3.36Å; G318-N331 VanDerWaalsContact O-CG 3.26Å; G318-N331 PolarHBondContact O-OD1 3.4Å; G318-N331 VanDerWaalsContact O-OD1 3.14Å; G318-K332 WeakPolarHBondContact O-CG 3.36Å; G318-K332 PolarHBondContact O-N 2.9Å |
| 319 | C | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 138.9 | 171.9 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | D307 L310 C311 I316 S317 N331 | D307-C319 WeakPolarHBondContact CA-O 3.45Å; L310-C319 HydrophobicContact CB-CB 4.07Å; L310-C319 HydrophobicContact CD2-CB 3.63Å; L310-C319 HydrophobicContact CG-CB 3.62Å; C311-C319 PolarHBondContact SG-N 2.99Å; C311-C319 VanDerWaalsContact SG-N 3.42Å; I316-C319 PolarHBondContact O-SG 3.14Å; S317-C319 VanDerWaalsContact C-N 3.3Å; S317-C319 PolarHBondContact O-N 2.93Å; C319-N331 PolarHBondContact N-ND2 2.95Å |
| 320 | I | 97.8 | Very high | 97 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -56.8 | -179.5 | -58 | 173.4 | 0 | 0 | 0 | 109.7 | N281 Q306 D307 S330 K332 | N281-I320 HydrophobicContact CB-CD1 3.73Å; N281-I320 VanDerWaalsContact OD1-CD1 3.31Å; N281-I320 WeakPolarHBondContact OD1-CD1 3.4Å; Q306-I320 CarbonylContact C-O 3.56Å; Q306-I320 WeakPolarHBondContact CA-O 3.48Å; D307-I320 PolarHBondContact N-O 2.81Å; I320-S330 PolarHBondContact N-O 3.22Å; I320-K332 HydrophobicContact CD1-CG 3.85Å; I320-K332 HydrophobicContact CG1-CG 3.88Å |
| 321 | F | 97.5 | Very high | 97 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 164.4 | 173.9 | 78.2 | -78.8 | 0 | 0 | 0 | 112.5 | L305 Q306 H323 L328 G329 S330 | L305-F321 WeakPolarHBondContact O-CA 3.19Å; Q306-F321 HydrophobicContact CG-CB 3.94Å; F321-H323 HydrophobicContact CE2-CB 4.36Å; F321-L328 HydrophobicContact CE1-CD2 4.17Å; F321-L328 HydrophobicContact CE2-CD2 3.62Å; F321-L328 HydrophobicContact CZ-CD2 3.31Å; F321-G329 CarbonylContact O-C 3.6Å; F321-G329 VanDerWaalsContact O-CA 3.23Å; F321-G329 WeakPolarHBondContact O-CA 3.28Å; F321-S330 PolarHBondContact O-N 3.14Å |
| 322 | V | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129 | 163.5 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | F298 W302 R303 S304 L305 L310 L328 M340 | F298-V322 HydrophobicContact CB-CG1 3.61Å; F298-V322 HydrophobicContact CD1-CG2 4.34Å; F298-V322 HydrophobicContact CD2-CG1 4.02Å; F298-V322 HydrophobicContact CG-CG1 3.82Å; F298-V322 HydrophobicContact CG-CG2 4.34Å; W302-V322 HydrophobicContact CB-CB 4.48Å; W302-V322 HydrophobicContact CB-CG1 4.48Å; W302-V322 HydrophobicContact CB-CG2 4.27Å; W302-V322 HydrophobicContact CE3-CG2 4.39Å; W302-V322 WeakPolarHBondContact O-CB 3.07Å; R303-V322 HydrophobicContact CG-CG1 4.28Å; S304-V322 WeakPolarHBondContact CA-O 3.38Å; S304-V322 PolarHBondContact N-O 3.37Å; L305-V322 PolarHBondContact O-N 3.4Å; L310-V322 HydrophobicContact CD1-CG2 4.11Å; L310-V322 HydrophobicContact CD2-CG2 3.86Å; V322-L328 CarbonylContact C-O 3.58Å; V322-L328 WeakPolarHBondContact CA-O 3.39Å; V322-M340 HydrophobicContact CG2-CE 3.79Å |
| 323 | H | 96.7 | Very high | 97.1 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 38% | 0.384 | 26% | 0.258 | S | S | . | . | trans | -62.6 | 145.6 | 179.2 | -172.9 | -92.3 | 0 | 0 | 0 | 111.7 | F321 S325 G326 H327 L328 | F321-H323 HydrophobicContact CE2-CB 4.36Å; H323-S325 PolarHBondContact CE1-OG 2.78Å; H323-S325 PolarHBondContact ND1-N 3.34Å; H323-S325 VanDerWaalsContact ND1-N 3.15Å; H323-S325 PolarHBondContact ND1-OG 2.93Å; H323-S325 PolarHBondContact O-N 3.17Å; H323-S325 VanDerWaalsContact O-N 3.07Å; H323-G326 WeakPolarHBondContact O-CA 3.43Å; H323-G326 PolarHBondContact O-N 3.14Å; H323-H327 AromaticContact CD2-CE1 3.85Å; H323-H327 AromaticContact CE1-CE1 3.67Å; H323-H327 AromaticContact CE1-ND1 3.95Å; H323-H327 AromaticContact CG-CE1 3.34Å; H323-H327 AromaticContact CG-ND1 3.58Å; H323-H327 AromaticContact ND1-CE1 3.22Å; H323-H327 PolarHBondContact ND1-CE1 2.87Å; H323-H327 AromaticContact ND1-ND1 3.19Å; H323-H327 PolarHBondContact ND1-ND1 3.03Å; H323-H327 VanDerWaalsContact ND1-ND1 3.19Å; H323-L328 HydrophobicContact CB-CB 4.23Å; H323-L328 PolarHBondContact N-O 3.07Å | ||
| 324 | N | 96.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 42.3 Ų | 42.3 | 58% | 0.578 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.9 | -176.3 | -175.8 | 47.4 | 0 | 0 | 0 | 115.1 | R303 S304 G326 | R303-N324 WeakPolarHBondContact CD-O 3.28Å; S304-N324 VanDerWaalsContact OG-CB 3.29Å; S304-N324 WeakPolarHBondContact OG-CB 3.38Å; S304-N324 PolarHBondContact OG-OD1 3.39Å; S304-N324 VanDerWaalsContact OG-OD1 3.12Å; N324-G326 VanDerWaalsContact C-N 3.29Å |
| 325 | S | 93.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.9 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | H323 H327 | H323-S325 PolarHBondContact CE1-OG 2.78Å; H323-S325 PolarHBondContact ND1-N 3.34Å; H323-S325 VanDerWaalsContact ND1-N 3.15Å; H323-S325 PolarHBondContact ND1-OG 2.93Å; H323-S325 PolarHBondContact O-N 3.17Å; H323-S325 VanDerWaalsContact O-N 3.07Å; S325-H327 VanDerWaalsContact C-N 3.28Å; S325-H327 PolarHBondContact O-N 3.36Å; S325-H327 PolarHBondContact OG-ND1 2.97Å |
| 326 | G | 95.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 73.4 | 12.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P297 F298 H323 N324 | P297-G326 CarbonylContact C-O 3.56Å; P297-G326 WeakPolarHBondContact CA-O 3.26Å; F298-G326 WeakPolarHBondContact CD2-O 3.45Å; F298-G326 PolarHBondContact N-O 2.68Å; H323-G326 WeakPolarHBondContact O-CA 3.43Å; H323-G326 PolarHBondContact O-N 3.14Å; N324-G326 VanDerWaalsContact C-N 3.29Å |
| 327 | H | 95.8 | Very high | 97.4 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -84.4 | -15.8 | -178.9 | 78.7 | -75.6 | 0 | 0 | 0 | 114.6 | G286 I294 H323 S325 | G286-H327 PolarHBondContact N-O 3.42Å; I294-H327 HydrophobicContact CD1-CB 3.77Å; I294-H327 HydrophobicContact CG1-CB 3.59Å; H323-H327 AromaticContact CD2-CE1 3.85Å; H323-H327 AromaticContact CE1-CE1 3.67Å; H323-H327 AromaticContact CE1-ND1 3.95Å; H323-H327 AromaticContact CG-CE1 3.34Å; H323-H327 AromaticContact CG-ND1 3.58Å; H323-H327 AromaticContact ND1-CE1 3.22Å; H323-H327 PolarHBondContact ND1-CE1 2.87Å; H323-H327 AromaticContact ND1-ND1 3.19Å; H323-H327 PolarHBondContact ND1-ND1 3.03Å; H323-H327 VanDerWaalsContact ND1-ND1 3.19Å; S325-H327 VanDerWaalsContact C-N 3.28Å; S325-H327 PolarHBondContact O-N 3.36Å; S325-H327 PolarHBondContact OG-ND1 2.97Å |
| 328 | L | 97.1 | Very high | 97.5 | Very high | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 135.5 | -170.4 | -176 | 147.4 | 0 | 0 | 0 | 110.1 | V283 V284 F321 V322 H323 | V283-L328 HydrophobicContact CG1-CD1 3.75Å; V283-L328 HydrophobicContact CG1-CD2 4.39Å; V283-L328 HydrophobicContact CG1-CG 3.84Å; V284-L328 WeakPolarHBondContact O-CA 3.44Å; F321-L328 HydrophobicContact CE1-CD2 4.17Å; F321-L328 HydrophobicContact CE2-CD2 3.62Å; F321-L328 HydrophobicContact CZ-CD2 3.31Å; V322-L328 CarbonylContact C-O 3.58Å; V322-L328 WeakPolarHBondContact CA-O 3.39Å; H323-L328 HydrophobicContact CB-CB 4.23Å; H323-L328 PolarHBondContact N-O 3.07Å |
| 329 | G | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 167.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V283 V284 F298 F321 | V283-G329 WeakPolarHBondContact CA-O 3.41Å; V284-G329 PolarHBondContact N-O 3.39Å; V284-G329 PolarHBondContact O-N 3Å; F298-G329 VanDerWaalsContact CE2-N 3.34Å; F321-G329 CarbonylContact O-C 3.6Å; F321-G329 VanDerWaalsContact O-CA 3.23Å; F321-G329 WeakPolarHBondContact O-CA 3.28Å |
| 330 | S | 98.2 | Very high | 97.5 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.2 | 178 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | W282 I320 F321 | W282-S330 CarbonylContact O-C 3.55Å; W282-S330 VanDerWaalsContact O-CA 3.31Å; W282-S330 WeakPolarHBondContact O-CA 3.48Å; W282-S330 PolarHBondContact O-OG 3.43Å; I320-S330 PolarHBondContact N-O 3.22Å; F321-S330 PolarHBondContact O-N 3.14Å |
| 331 | N | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.6 | 176.9 | -162.6 | -64.8 | 0 | 0 | 0 | 110.3 | W282 S317 G318 C319 T333 G336 A337 M340 | W282-N331 PolarHBondContact N-O 3.11Å; W282-N331 PolarHBondContact O-N 2.88Å; S317-N331 PolarHBondContact O-ND2 3.29Å; S317-N331 VanDerWaalsContact O-ND2 3.09Å; G318-N331 CarbonylContact O-C 3.38Å; G318-N331 WeakPolarHBondContact O-CA 3.36Å; G318-N331 VanDerWaalsContact O-CG 3.26Å; G318-N331 PolarHBondContact O-OD1 3.4Å; G318-N331 VanDerWaalsContact O-OD1 3.14Å; C319-N331 PolarHBondContact N-ND2 2.95Å; N331-T333 VanDerWaalsContact C-N 3.29Å; N331-T333 PolarHBondContact O-N 3.09Å; N331-T333 PolarHBondContact OD1-N 3.34Å; N331-T333 PolarHBondContact OD1-O 3.03Å; N331-G336 WeakPolarHBondContact ND2-CA 3.47Å; N331-A337 HydrophobicContact CB-CB 4.11Å; N331-M340 HydrophobicContact CB-SD 3.93Å |
| 332 | K | 98.2 | Very high | 97.5 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -66.1 | -29.9 | 176.6 | -66.5 | 174.5 | -174.4 | 172.3 | 0 | 112.6 | G318 I320 | G318-K332 WeakPolarHBondContact O-CG 3.36Å; G318-K332 PolarHBondContact O-N 2.9Å; I320-K332 HydrophobicContact CD1-CG 3.85Å; I320-K332 HydrophobicContact CG1-CG 3.88Å |
| 333 | T | 98.1 | Very high | 97.5 | Very high | 63 Ų | 63 | 45.5 Ų | 45.5 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -120 | 153.4 | -176.6 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | N331 D335 G336 A337 | N331-T333 VanDerWaalsContact C-N 3.29Å; N331-T333 PolarHBondContact O-N 3.09Å; N331-T333 PolarHBondContact OD1-N 3.34Å; N331-T333 PolarHBondContact OD1-O 3.03Å; T333-D335 VanDerWaalsContact C-N 3.33Å; T333-G336 PolarHBondContact O-N 2.93Å; T333-G336 PolarHBondContact OG1-N 2.75Å; T333-A337 WeakPolarHBondContact O-CB 3.47Å; T333-A337 PolarHBondContact O-N 3.5Å |
| 334 | L | 98.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 173.9 | 174.9 | 54.8 | 0 | 0 | 0 | 110.7 | V227 I275 W282 G336 A337 I338 | V227-L334 HydrophobicContact CG1-CD1 3.74Å; V227-L334 HydrophobicContact CG1-CD2 4.46Å; V227-L334 HydrophobicContact CG2-CD1 4.12Å; I275-L334 HydrophobicContact CG2-CD1 3.9Å; W282-L334 HydrophobicContact CD2-CB 3.94Å; W282-L334 HydrophobicContact CD2-CD1 4Å; W282-L334 HydrophobicContact CE3-CB 4.47Å; W282-L334 HydrophobicContact CE3-CD1 3.69Å; W282-L334 HydrophobicContact CG-CB 4.33Å; W282-L334 HydrophobicContact CH2-CB 4.35Å; W282-L334 HydrophobicContact CH2-CD1 4.04Å; W282-L334 HydrophobicContact CH2-CD2 4.04Å; W282-L334 HydrophobicContact CH2-CG 4.37Å; W282-L334 HydrophobicContact CZ2-CB 3.84Å; W282-L334 HydrophobicContact CZ2-CD1 4.36Å; W282-L334 HydrophobicContact CZ2-CD2 4.17Å; W282-L334 HydrophobicContact CZ2-CG 4.34Å; W282-L334 HydrophobicContact CZ3-CD1 3.7Å; L334-G336 VanDerWaalsContact C-N 3.31Å; L334-G336 PolarHBondContact O-N 3.34Å; L334-A337 WeakPolarHBondContact O-CB 3.36Å; L334-A337 PolarHBondContact O-N 2.77Å; L334-A337 VanDerWaalsContact O-N 3.14Å; L334-I338 HydrophobicContact CD1-CD1 3.81Å; L334-I338 HydrophobicContact CD1-CG1 3.99Å; L334-I338 HydrophobicContact CG-CD1 3.85Å; L334-I338 HydrophobicContact CG-CG1 4.44Å; L334-I338 WeakPolarHBondContact O-CG1 3.35Å; L334-I338 PolarHBondContact O-N 3.27Å |
| 335 | D | 98.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 36.8 Ų | 36.8 | 63% | 0.631 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61.1 | -42.3 | -179.8 | -63.8 | -29.3 | 0 | 0 | 0 | 111.3 | T333 A337 I338 E339 | T333-D335 VanDerWaalsContact C-N 3.33Å; D335-A337 PolarHBondContact O-N 3.31Å; D335-I338 PolarHBondContact O-N 3.12Å; D335-E339 WeakPolarHBondContact O-CB 3.44Å; D335-E339 WeakPolarHBondContact O-CG 3Å; D335-E339 PolarHBondContact O-N 3.17Å |
| 336 | G | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N331 T333 L334 E339 M340 | N331-G336 WeakPolarHBondContact ND2-CA 3.47Å; T333-G336 PolarHBondContact O-N 2.93Å; T333-G336 PolarHBondContact OG1-N 2.75Å; L334-G336 VanDerWaalsContact C-N 3.31Å; L334-G336 PolarHBondContact O-N 3.34Å; G336-E339 PolarHBondContact O-N 3.04Å; G336-M340 VanDerWaalsContact O-CG 3.29Å; G336-M340 WeakPolarHBondContact O-CG 3.45Å; G336-M340 PolarHBondContact O-N 2.93Å |
| 337 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I275 W282 V284 N331 T333 L334 D335 M340 A341 | I275-A337 HydrophobicContact CD1-CB 4.46Å; I275-A337 HydrophobicContact CG2-CB 3.89Å; W282-A337 HydrophobicContact CB-CB 3.66Å; V284-A337 HydrophobicContact CG2-CB 3.56Å; V284-A337 VanDerWaalsContact CG2-O 3.3Å; V284-A337 WeakPolarHBondContact CG2-O 3.42Å; N331-A337 HydrophobicContact CB-CB 4.11Å; T333-A337 WeakPolarHBondContact O-CB 3.47Å; T333-A337 PolarHBondContact O-N 3.5Å; L334-A337 WeakPolarHBondContact O-CB 3.36Å; L334-A337 PolarHBondContact O-N 2.77Å; L334-A337 VanDerWaalsContact O-N 3.14Å; D335-A337 PolarHBondContact O-N 3.31Å; A337-M340 PolarHBondContact O-N 2.75Å; A337-A341 PolarHBondContact O-N 3.45Å; A337-A341 VanDerWaalsContact O-N 3.14Å |
| 338 | I | 98.4 | Very high | 97.2 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.1 | -68.3 | 169.3 | 0 | 0 | 0 | 110.4 | V219 V227 I275 L334 D335 M340 A341 R342 | V219-I338 HydrophobicContact CG1-CD1 4.27Å; V219-I338 HydrophobicContact CG1-CG1 4.3Å; V219-I338 HydrophobicContact CG1-CG2 4.47Å; V227-I338 HydrophobicContact CG2-CD1 4.18Å; V227-I338 HydrophobicContact CG2-CG1 4.24Å; I275-I338 HydrophobicContact CD1-CB 4.25Å; I275-I338 HydrophobicContact CD1-CG1 3.65Å; L334-I338 HydrophobicContact CD1-CD1 3.81Å; L334-I338 HydrophobicContact CD1-CG1 3.99Å; L334-I338 HydrophobicContact CG-CD1 3.85Å; L334-I338 HydrophobicContact CG-CG1 4.44Å; L334-I338 WeakPolarHBondContact O-CG1 3.35Å; L334-I338 PolarHBondContact O-N 3.27Å; D335-I338 PolarHBondContact O-N 3.12Å; I338-M340 VanDerWaalsContact C-N 3.32Å; I338-M340 PolarHBondContact O-N 3.42Å; I338-A341 PolarHBondContact O-N 3.46Å; I338-R342 VanDerWaalsContact O-CB 3.25Å; I338-R342 WeakPolarHBondContact O-CB 3.41Å; I338-R342 PolarHBondContact O-N 2.9Å |
| 339 | E | 98.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 41% | 0.407 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.8 | -81.6 | -74.2 | 114.8 | 0 | 0 | 111.6 | I316 D335 G336 A341 R342 F343 | I316-E339 HydrophobicContact CD1-CB 4.13Å; I316-E339 HydrophobicContact CG1-CB 4.35Å; I316-E339 HydrophobicContact CG2-CB 4.13Å; D335-E339 WeakPolarHBondContact O-CB 3.44Å; D335-E339 WeakPolarHBondContact O-CG 3Å; D335-E339 PolarHBondContact O-N 3.17Å; G336-E339 PolarHBondContact O-N 3.04Å; E339-A341 PolarHBondContact O-N 3.49Å; E339-R342 PolarHBondContact O-N 3.41Å; E339-R342 IonicContact OE1-CZ 3.84Å; E339-R342 IonicContact OE1-NH1 3.75Å; E339-R342 PolarHBondContact OE1-NH1 3.21Å; E339-F343 WeakPolarHBondContact O-CB 3.31Å; E339-F343 PolarHBondContact O-N 2.8Å |
| 340 | M | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 175.1 | -75.3 | 178.9 | 77.9 | 0 | 0 | 111.2 | V284 F298 W302 L310 I316 V322 N331 G336 A337 I338 R342 F343 V344 | V284-M340 HydrophobicContact CG2-CB 4.45Å; F298-M340 HydrophobicContact CE1-CB 4.33Å; F298-M340 HydrophobicContact CE1-CE 4.08Å; F298-M340 HydrophobicContact CZ-CE 4.4Å; W302-M340 HydrophobicContact CE3-CE 4.38Å; W302-M340 HydrophobicContact CZ3-CB 4.25Å; W302-M340 HydrophobicContact CZ3-CE 4.23Å; W302-M340 HydrophobicContact CZ3-CG 4.27Å; L310-M340 HydrophobicContact CD2-CE 4.46Å; I316-M340 HydrophobicContact CD1-CB 4.33Å; I316-M340 HydrophobicContact CD1-CG 3.83Å; I316-M340 HydrophobicContact CG2-CG 4.26Å; V322-M340 HydrophobicContact CG2-CE 3.79Å; N331-M340 HydrophobicContact CB-SD 3.93Å; G336-M340 VanDerWaalsContact O-CG 3.29Å; G336-M340 WeakPolarHBondContact O-CG 3.45Å; G336-M340 PolarHBondContact O-N 2.93Å; A337-M340 PolarHBondContact O-N 2.75Å; I338-M340 VanDerWaalsContact C-N 3.32Å; I338-M340 PolarHBondContact O-N 3.42Å; M340-R342 PolarHBondContact O-N 3.04Å; M340-F343 PolarHBondContact O-N 3.04Å; M340-V344 WeakPolarHBondContact O-CG2 2.94Å; M340-V344 PolarHBondContact O-N 3.39Å |
| 341 | A | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | I225 F273 I275 V284 A337 I338 E339 F343 V344 V345 | I225-A341 HydrophobicContact CD1-CB 3.71Å; I225-A341 HydrophobicContact CG1-CB 4.2Å; I225-A341 HydrophobicContact CG2-CB 4.21Å; F273-A341 HydrophobicContact CB-CB 3.96Å; F273-A341 HydrophobicContact CD2-CB 3.9Å; F273-A341 HydrophobicContact CG-CB 3.91Å; I275-A341 HydrophobicContact CD1-CB 4.2Å; V284-A341 HydrophobicContact CG1-CB 3.92Å; A337-A341 PolarHBondContact O-N 3.45Å; A337-A341 VanDerWaalsContact O-N 3.14Å; I338-A341 PolarHBondContact O-N 3.46Å; E339-A341 PolarHBondContact O-N 3.49Å; A341-F343 PolarHBondContact O-N 2.82Å; A341-V344 PolarHBondContact O-N 3.41Å; A341-V345 WeakPolarHBondContact O-CG2 3.43Å; A341-V345 PolarHBondContact O-N 2.99Å |
| 342 | R | 97.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | -179.4 | -176.8 | -178.3 | -67.9 | 137.5 | -0.5 | 111.8 | V219 D220 I225 I338 E339 M340 V344 V345 N346 | V219-R342 PolarHBondContact O-NH2 3.46Å; V219-R342 VanDerWaalsContact O-NH2 3.13Å; D220-R342 IonicContact OD2-CZ 3.39Å; D220-R342 IonicContact OD2-NE 3.93Å; D220-R342 PolarHBondContact OD2-NE 2.91Å; D220-R342 IonicContact OD2-NH2 3.16Å; I225-R342 HydrophobicContact CD1-CB 4.41Å; I338-R342 VanDerWaalsContact O-CB 3.25Å; I338-R342 WeakPolarHBondContact O-CB 3.41Å; I338-R342 PolarHBondContact O-N 2.9Å; E339-R342 PolarHBondContact O-N 3.41Å; E339-R342 IonicContact OE1-CZ 3.84Å; E339-R342 IonicContact OE1-NH1 3.75Å; E339-R342 PolarHBondContact OE1-NH1 3.21Å; M340-R342 PolarHBondContact O-N 3.04Å; R342-V344 PolarHBondContact O-N 3.47Å; R342-V345 PolarHBondContact O-N 3.39Å; R342-N346 WeakPolarHBondContact O-CB 3.28Å; R342-N346 VanDerWaalsContact O-CG 3.32Å; R342-N346 PolarHBondContact O-N 2.81Å; R342-N346 PolarHBondContact O-ND2 2.75Å |
| 343 | F | 97 | Very high | 93.7 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 38% | 0.382 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.2 | -52.7 | 175.9 | -176.6 | -80.2 | 0 | 0 | 0 | 110.5 | W302 I316 E339 M340 A341 V345 N346 E347 | W302-F343 HydrophobicContact CH2-CB 3.92Å; W302-F343 AromaticContact CH2-CD1 3.51Å; W302-F343 HydrophobicContact CH2-CD1 3.51Å; W302-F343 HydrophobicContact CH2-CE1 4.22Å; W302-F343 AromaticContact CH2-CG 3.77Å; W302-F343 HydrophobicContact CH2-CG 3.77Å; W302-F343 HydrophobicContact CZ2-CB 4.42Å; W302-F343 AromaticContact CZ2-CD1 3.26Å; W302-F343 HydrophobicContact CZ2-CD1 3.26Å; W302-F343 HydrophobicContact CZ2-CD2 4.38Å; W302-F343 AromaticContact CZ2-CE1 3.48Å; W302-F343 HydrophobicContact CZ2-CE1 3.48Å; W302-F343 VanDerWaalsContact CZ2-CE1 3.48Å; W302-F343 AromaticContact CZ2-CG 3.77Å; W302-F343 HydrophobicContact CZ2-CG 3.77Å; W302-F343 HydrophobicContact CZ2-CZ 4.13Å; I316-F343 HydrophobicContact CD1-CB 4.4Å; E339-F343 WeakPolarHBondContact O-CB 3.31Å; E339-F343 PolarHBondContact O-N 2.8Å; M340-F343 PolarHBondContact O-N 3.04Å; A341-F343 PolarHBondContact O-N 2.82Å; F343-V345 VanDerWaalsContact C-N 3.34Å; F343-V345 PolarHBondContact O-N 2.86Å; F343-N346 PolarHBondContact O-N 3.36Å; F343-E347 HydrophobicContact CE1-CB 4.38Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.46Å; F343-E347 WeakPolarHBondContact O-CB 3.48Å; F343-E347 PolarHBondContact O-N 2.96Å |
| 344 | V | 96.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | -177.3 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | F273 L296 F298 P299 W302 M340 A341 R342 S348 | F273-V344 HydrophobicContact CE2-CB 4.11Å; F273-V344 HydrophobicContact CE2-CG1 4.25Å; F273-V344 HydrophobicContact CZ-CB 4.02Å; F273-V344 HydrophobicContact CZ-CG1 3.92Å; L296-V344 HydrophobicContact CD1-CG1 4.25Å; L296-V344 HydrophobicContact CD2-CG1 4.03Å; L296-V344 HydrophobicContact CG-CG1 3.88Å; F298-V344 HydrophobicContact CD1-CG2 3.63Å; F298-V344 HydrophobicContact CE1-CG2 3.9Å; P299-V344 HydrophobicContact CG-CG2 4.23Å; W302-V344 HydrophobicContact CE3-CG2 4.49Å; W302-V344 HydrophobicContact CH2-CG2 4.27Å; W302-V344 HydrophobicContact CZ3-CG2 3.99Å; M340-V344 WeakPolarHBondContact O-CG2 2.94Å; M340-V344 PolarHBondContact O-N 3.39Å; A341-V344 PolarHBondContact O-N 3.41Å; R342-V344 PolarHBondContact O-N 3.47Å; V344-S348 WeakPolarHBondContact O-CB 3.46Å; V344-S348 PolarHBondContact O-N 3.03Å |
| 345 | V | 96.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | I225 L272 F273 L296 A341 R342 F343 K349 | I225-V345 HydrophobicContact CD1-CG2 4.32Å; I225-V345 HydrophobicContact CG1-CG2 4.4Å; L272-V345 HydrophobicContact CD1-CG2 4.08Å; F273-V345 HydrophobicContact CD2-CG2 3.93Å; F273-V345 HydrophobicContact CE2-CG2 3.91Å; L296-V345 HydrophobicContact CD2-CG2 4.07Å; A341-V345 WeakPolarHBondContact O-CG2 3.43Å; A341-V345 PolarHBondContact O-N 2.99Å; R342-V345 PolarHBondContact O-N 3.39Å; F343-V345 VanDerWaalsContact C-N 3.34Å; F343-V345 PolarHBondContact O-N 2.86Å; V345-K349 HydrophobicContact CG1-CD 4.46Å; V345-K349 WeakPolarHBondContact O-CG 3.43Å; V345-K349 PolarHBondContact O-N 3.26Å; V345-K349 VanDerWaalsContact O-N 3.14Å |
| 346 | N | 95 | Very high | 90 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | -178.6 | -72.5 | -20.8 | 0 | 0 | 0 | 112.3 | R342 F343 S348 K349 L350 | R342-N346 WeakPolarHBondContact O-CB 3.28Å; R342-N346 VanDerWaalsContact O-CG 3.32Å; R342-N346 PolarHBondContact O-N 2.81Å; R342-N346 PolarHBondContact O-ND2 2.75Å; F343-N346 PolarHBondContact O-N 3.36Å; N346-S348 VanDerWaalsContact C-N 3.33Å; N346-S348 PolarHBondContact O-N 3.42Å; N346-K349 PolarHBondContact O-N 3.39Å; N346-L350 WeakPolarHBondContact O-CG 3.35Å; N346-L350 PolarHBondContact O-N 2.88Å |
| 347 | E | 92.3 | Very high | 88.5 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 174.9 | -166.7 | -166.8 | 170.5 | 0 | 0 | 111 | P299 F343 K349 L350 Q351 | P299-E347 VanDerWaalsContact CG-OE2 3.3Å; P299-E347 WeakPolarHBondContact CG-OE2 3.42Å; F343-E347 HydrophobicContact CE1-CB 4.38Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.46Å; F343-E347 WeakPolarHBondContact O-CB 3.48Å; F343-E347 PolarHBondContact O-N 2.96Å; E347-K349 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 2.94Å; E347-L350 PolarHBondContact O-N 3.42Å; E347-Q351 WeakPolarHBondContact O-CG 3.25Å; E347-Q351 PolarHBondContact O-N 3.32Å; E347-Q351 PolarHBondContact OE1-NE2 3.22Å |
| 348 | S | 90.9 | Very high | 86.5 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | V344 N346 T352 | V344-S348 WeakPolarHBondContact O-CB 3.46Å; V344-S348 PolarHBondContact O-N 3.03Å; N346-S348 VanDerWaalsContact C-N 3.33Å; N346-S348 PolarHBondContact O-N 3.42Å; S348-T352 WeakPolarHBondContact O-CB 3.21Å; S348-T352 PolarHBondContact O-N 3.35Å; S348-T352 PolarHBondContact O-OG1 3.22Å |
| 349 | K | 87.9 | Confident | 84.2 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.9 | -73.9 | 173.4 | -177.6 | 173.4 | 0 | 111.3 | V345 N346 E347 Q351 T352 E353 | V345-K349 HydrophobicContact CG1-CD 4.46Å; V345-K349 WeakPolarHBondContact O-CG 3.43Å; V345-K349 PolarHBondContact O-N 3.26Å; V345-K349 VanDerWaalsContact O-N 3.14Å; N346-K349 PolarHBondContact O-N 3.39Å; E347-K349 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 2.94Å; K349-Q351 PolarHBondContact O-N 2.71Å; K349-T352 WeakPolarHBondContact O-CB 3.35Å; K349-T352 PolarHBondContact O-N 3.06Å; K349-E353 WeakPolarHBondContact O-CG 3.27Å; K349-E353 PolarHBondContact O-N 2.82Å |
| 350 | L | 87.5 | Confident | 82.2 | Confident | 101 Ų | 101 | 80.5 Ų | 80.5 | 53% | 0.529 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 178.5 | -72.6 | 167.5 | 0 | 0 | 0 | 112.1 | N346 E347 T352 E353 N354 | N346-L350 WeakPolarHBondContact O-CG 3.35Å; N346-L350 PolarHBondContact O-N 2.88Å; E347-L350 PolarHBondContact O-N 3.42Å; L350-T352 VanDerWaalsContact C-N 3.33Å; L350-T352 PolarHBondContact O-N 3.28Å; L350-E353 PolarHBondContact O-N 3.31Å; L350-N354 WeakPolarHBondContact O-CB 3.14Å; L350-N354 VanDerWaalsContact O-CG 3.24Å; L350-N354 PolarHBondContact O-N 3.19Å; L350-N354 PolarHBondContact O-ND2 2.89Å |
| 351 | Q | 82.8 | Confident | 80.2 | Confident | 107 Ų | 107 | 86.7 Ų | 86.7 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.3 | -71.4 | 175.9 | 5.4 | 0 | 0 | 111.3 | E347 K349 N354 V355 | E347-Q351 WeakPolarHBondContact O-CG 3.25Å; E347-Q351 PolarHBondContact O-N 3.32Å; E347-Q351 PolarHBondContact OE1-NE2 3.22Å; K349-Q351 PolarHBondContact O-N 2.71Å; Q351-N354 PolarHBondContact O-N 3.44Å; Q351-V355 VanDerWaalsContact O-CG2 3.29Å; Q351-V355 WeakPolarHBondContact O-CG2 3.39Å; Q351-V355 PolarHBondContact O-N 2.71Å; Q351-V355 VanDerWaalsContact O-N 3.09Å |
| 352 | T | 80.3 | Confident | 77.9 | Confident | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | S348 K349 L350 V355 I356 | S348-T352 WeakPolarHBondContact O-CB 3.21Å; S348-T352 PolarHBondContact O-N 3.35Å; S348-T352 PolarHBondContact O-OG1 3.22Å; K349-T352 WeakPolarHBondContact O-CB 3.35Å; K349-T352 PolarHBondContact O-N 3.06Å; L350-T352 VanDerWaalsContact C-N 3.33Å; L350-T352 PolarHBondContact O-N 3.28Å; T352-V355 PolarHBondContact O-N 2.96Å; T352-I356 HydrophobicContact CG2-CD1 4.26Å; T352-I356 WeakPolarHBondContact O-CG1 3.35Å; T352-I356 PolarHBondContact O-N 3.26Å |
| 353 | E | 78 | Confident | 75.8 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177.4 | -73.7 | -179.7 | -172.2 | 0 | 0 | 112.6 | K349 L350 I356 R357 | K349-E353 WeakPolarHBondContact O-CG 3.27Å; K349-E353 PolarHBondContact O-N 2.82Å; L350-E353 PolarHBondContact O-N 3.31Å; E353-I356 PolarHBondContact O-N 2.9Å; E353-R357 WeakPolarHBondContact O-CG 3.39Å; E353-R357 PolarHBondContact O-N 3.15Å |
| 354 | N | 75.2 | Confident | 73.6 | Confident | 96 Ų | 96 | 99.1 Ų | 99.1 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.2 | -76.8 | -25.6 | 0 | 0 | 0 | 111.3 | L350 Q351 I356 R357 T358 | L350-N354 WeakPolarHBondContact O-CB 3.14Å; L350-N354 VanDerWaalsContact O-CG 3.24Å; L350-N354 PolarHBondContact O-N 3.19Å; L350-N354 PolarHBondContact O-ND2 2.89Å; Q351-N354 PolarHBondContact O-N 3.44Å; N354-I356 VanDerWaalsContact C-N 3.28Å; N354-I356 PolarHBondContact O-N 3.24Å; N354-R357 PolarHBondContact O-N 2.97Å; N354-R357 VanDerWaalsContact O-N 3.09Å; N354-T358 PolarHBondContact O-N 3.34Å; N354-T358 PolarHBondContact O-OG1 3.23Å |
| 355 | V | 71.9 | Confident | 71.3 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 66% | 0.655 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.7 | -36.7 | 176 | 171 | 0 | 0 | 0 | 0 | 112 | Q351 T352 R357 | Q351-V355 VanDerWaalsContact O-CG2 3.29Å; Q351-V355 WeakPolarHBondContact O-CG2 3.39Å; Q351-V355 PolarHBondContact O-N 2.71Å; Q351-V355 VanDerWaalsContact O-N 3.09Å; T352-V355 PolarHBondContact O-N 2.96Å; V355-R357 VanDerWaalsContact C-N 3.34Å |
| 356 | I | 70.3 | Confident | 69.4 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -33.8 | 176.4 | -66.1 | 164.9 | 0 | 0 | 0 | 111.2 | T352 E353 N354 | T352-I356 HydrophobicContact CG2-CD1 4.26Å; T352-I356 WeakPolarHBondContact O-CG1 3.35Å; T352-I356 PolarHBondContact O-N 3.26Å; E353-I356 PolarHBondContact O-N 2.9Å; N354-I356 VanDerWaalsContact C-N 3.28Å; N354-I356 PolarHBondContact O-N 3.24Å |
| 357 | R | 65.9 | Low | 67 | Low | 190 Ų | 190 | 121.2 Ų | 121.2 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.3 | -26 | -178.7 | -71.7 | 179.2 | -176.2 | -170.2 | 5.4 | 113.8 | E353 N354 V355 A359 | E353-R357 WeakPolarHBondContact O-CG 3.39Å; E353-R357 PolarHBondContact O-N 3.15Å; N354-R357 PolarHBondContact O-N 2.97Å; N354-R357 VanDerWaalsContact O-N 3.09Å; V355-R357 VanDerWaalsContact C-N 3.34Å; R357-A359 PolarHBondContact O-N 3.09Å |
| 358 | T | 56.8 | Low | 64.7 | Low | 101 Ų | 101 | 121.4 Ų | 121.4 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -71 | 98.6 | 171.7 | 3.1 | 0 | 0 | 0 | 0 | 109.4 | N354 L360 | N354-T358 PolarHBondContact O-N 3.34Å; N354-T358 PolarHBondContact O-OG1 3.23Å; T358-L360 PolarHBondContact O-N 3.07Å |
| 359 | A | 51.1 | Low | 62.4 | Low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | trans | -52.8 | 115.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R357 T361 | R357-A359 PolarHBondContact O-N 3.09Å; A359-T361 PolarHBondContact O-N 3.44Å; A359-T361 VanDerWaalsContact O-N 3.11Å | ||
| 360 | L | 56.5 | Low | 60.1 | Low | 165 Ų | 165 | 130.5 Ų | 130.5 | 86% | 0.864 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.1 | 169.8 | -71.9 | 168.6 | 0 | 0 | 0 | 107.3 | T358 P362 | T358-L360 PolarHBondContact O-N 3.07Å; L360-P362 WeakPolarHBondContact O-CD 3.21Å; L360-P362 VanDerWaalsContact O-N 3.13Å |
| 361 | T | 56.1 | Low | 58 | Low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 122.2 | 170.2 | 4.8 | 0 | 0 | 0 | 0 | 107 | A359 | A359-T361 PolarHBondContact O-N 3.44Å; A359-T361 VanDerWaalsContact O-N 3.11Å |
| 362 | P | 49.9 | Very low | 56.1 | Low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 138.2 | -179.3 | 19.4 | -29.4 | 0 | 0 | 0 | 108.4 | L360 K364 | L360-P362 WeakPolarHBondContact O-CD 3.21Å; L360-P362 VanDerWaalsContact O-N 3.13Å; P362-K364 PolarHBondContact O-N 2.92Å |
| 363 | P | 52.7 | Low | 54.4 | Low | 99 Ų | 99 | 142 Ų | 142 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 122.5 | -177.5 | 19.6 | -30.6 | 0 | 0 | 0 | 108.9 | F365 | P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 HydrophobicContact CB-CE2 4.41Å; P363-F365 HydrophobicContact CG-CD2 4.46Å; P363-F365 HydrophobicContact CG-CE2 3.97Å; P363-F365 PolarHBondContact O-N 2.95Å |
| 364 | K | 52.6 | Low | 52.6 | Low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | trans | -67.1 | 93.8 | 169.6 | -78.5 | -176.1 | 178.3 | 177.1 | 0 | 107.2 | P362 S366 | P362-K364 PolarHBondContact O-N 2.92Å; K364-S366 VanDerWaalsContact C-N 3.32Å; K364-S366 PolarHBondContact O-N 3.01Å | ||
| 365 | F | 46.4 | Very low | 50.9 | Low | 186 Ų | 186 | 147.7 Ų | 147.7 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 99 | 162.7 | -77.8 | -84.5 | 0 | 0 | 0 | 107.3 | P363 R367 | P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 HydrophobicContact CB-CE2 4.41Å; P363-F365 HydrophobicContact CG-CD2 4.46Å; P363-F365 HydrophobicContact CG-CE2 3.97Å; P363-F365 PolarHBondContact O-N 2.95Å; F365-R367 PolarHBondContact O-N 3.5Å; F365-R367 VanDerWaalsContact O-N 3.16Å | ||
| 366 | S | 57.9 | Low | 49.5 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 119.6 | 162.3 | 60.9 | 0 | 0 | 0 | 0 | 106 | K364 G368 | K364-S366 VanDerWaalsContact C-N 3.32Å; K364-S366 PolarHBondContact O-N 3.01Å; S366-G368 PolarHBondContact O-N 3.26Å | ||
| 367 | R | 45 | Very low | 47.9 | Very low | 247 Ų | 247 | 150.2 Ų | 150.2 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -63 | 88.6 | 165 | -78.2 | -176.2 | 174.3 | 175.9 | -1.3 | 106.3 | F365 R369 | F365-R367 PolarHBondContact O-N 3.5Å; F365-R367 VanDerWaalsContact O-N 3.16Å; R367-R369 PolarHBondContact O-N 2.79Å | ||
| 368 | G | 42.7 | Very low | 46.9 | Very low | 64 Ų | 64 | 151.2 Ų | 151.2 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 109.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | S366 G370 | S366-G368 PolarHBondContact O-N 3.26Å; G368-G370 PolarHBondContact O-N 3.45Å | ||
| 369 | R | 43.7 | Very low | 46.2 | Very low | 242 Ų | 242 | 153.7 Ų | 153.7 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -53.5 | 114.1 | 163.3 | -78.4 | -177.2 | 179.6 | 179.9 | 0.2 | 105.6 | R367 R371 | R367-R369 PolarHBondContact O-N 2.79Å; R369-R371 PolarHBondContact O-N 3.44Å | ||
| 370 | G | 39.7 | Very low | 45.6 | Very low | 77 Ų | 77 | 159.4 Ų | 159.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -52 | 100.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G368 K372 | G368-G370 PolarHBondContact O-N 3.45Å; G370-K372 PolarHBondContact O-N 3.17Å; G370-K372 VanDerWaalsContact O-N 3.14Å | ||
| 371 | R | 43.1 | Very low | 45.5 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -77.3 | 98.2 | 167.4 | -148.7 | 176.4 | -171.8 | 177.1 | 1.7 | 104.4 | R369 S373 | R369-R371 PolarHBondContact O-N 3.44Å; R371-S373 VanDerWaalsContact C-N 3.32Å; R371-S373 PolarHBondContact O-N 3.31Å | ||
| 372 | K | 41.6 | Very low | 45 | Very low | 186 Ų | 186 | 166.6 Ų | 166.6 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -54.5 | 99.9 | 167 | -77.7 | -178.3 | 175.2 | 179.8 | 0 | 107.2 | G370 F374 | G370-K372 PolarHBondContact O-N 3.17Å; G370-K372 VanDerWaalsContact O-N 3.14Å; K372-F374 PolarHBondContact O-N 3.12Å; K372-F374 VanDerWaalsContact O-N 3.12Å | ||
| 373 | S | 44.7 | Very low | 44.7 | Very low | 104 Ų | 104 | 169.8 Ų | 169.8 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -69 | 103.5 | 163 | 39.9 | 0 | 0 | 0 | 0 | 106.6 | R371 V375 | R371-S373 VanDerWaalsContact C-N 3.32Å; R371-S373 PolarHBondContact O-N 3.31Å; S373-V375 PolarHBondContact O-N 2.98Å; S373-V375 VanDerWaalsContact O-N 3.08Å | ||
| 374 | F | 40.5 | Very low | 44.3 | Very low | 185 Ų | 185 | 173.5 Ų | 173.5 | 81% | 0.811 | 84% | 0.839 | S | S | * | * | trans | -59 | 109.5 | 160.4 | -88.1 | -96 | 0 | 0 | 0 | 107.5 | K372 N376 | K372-F374 PolarHBondContact O-N 3.12Å; K372-F374 VanDerWaalsContact O-N 3.12Å; F374-N376 VanDerWaalsContact C-N 3.31Å; F374-N376 PolarHBondContact O-N 2.82Å | ||
| 375 | V | 40.8 | Very low | 43.8 | Very low | 125 Ų | 125 | 171.3 Ų | 171.3 | 76% | 0.758 | 83% | 0.834 | S | S | * | * | trans | -67.7 | 96 | 164.2 | 175.9 | 0 | 0 | 0 | 0 | 106.4 | S373 N377 | S373-V375 PolarHBondContact O-N 2.98Å; S373-V375 VanDerWaalsContact O-N 3.08Å; V375-N377 PolarHBondContact O-N 3.3Å; V375-N377 VanDerWaalsContact O-N 3.14Å | ||
| 376 | N | 41.9 | Very low | 43.7 | Very low | 142 Ų | 142 | 170.5 Ų | 170.5 | 76% | 0.759 | 84% | 0.836 | S | S | * | * | trans | -78 | 94.4 | 169.5 | -120 | -6.5 | 0 | 0 | 0 | 107.8 | F374 R378 | F374-N376 VanDerWaalsContact C-N 3.31Å; F374-N376 PolarHBondContact O-N 2.82Å; N376-R378 PolarHBondContact O-N 2.99Å; N376-R378 VanDerWaalsContact O-N 3.16Å | ||
| 377 | N | 37.4 | Very low | 42.8 | Very low | 154 Ų | 154 | 174.4 Ų | 174.4 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | -79.3 | 87.4 | 172.7 | -140.8 | 3.7 | 0 | 0 | 0 | 108 | V375 | V375-N377 PolarHBondContact O-N 3.3Å; V375-N377 VanDerWaalsContact O-N 3.14Å | ||
| 378 | R | 43 | Very low | 42.6 | Very low | 211 Ų | 211 | 169.5 Ų | 169.5 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | trans | -141.8 | 100.4 | 170.2 | -80.5 | -168.3 | -179.8 | 179.1 | 0.4 | 111 | N376 | N376-R378 PolarHBondContact O-N 2.99Å; N376-R378 VanDerWaalsContact O-N 3.16Å | ||
| 379 | N | 42.9 | Very low | 42.6 | Very low | 153 Ų | 153 | 177.1 Ų | 177.1 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | 144.3 | 83.3 | 130.2 | -75.2 | -11.8 | 0 | 0 | 0 | 111.8 | ||||
| 380 | K | 39.2 | Very low | 42.5 | Very low | 213 Ų | 213 | 172.1 Ų | 172.1 | 93% | 0.926 | 84% | 0.842 | S | S | * | * | trans | -105 | 110.7 | 138.4 | -87.4 | -175.3 | 174.3 | -178.8 | 0 | 107.1 | ||||
| 381 | K | 53.8 | Low | 42.8 | Very low | 185 Ų | 185 | 180 Ų | 180 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -142 | 109.1 | 154.6 | -88.2 | -168.8 | 173.7 | -175 | 0 | 103.6 | ||||
| 382 | H | 44.6 | Very low | 42.8 | Very low | 261 Ų | 261 | 174.5 Ų | 174.5 | 100% | 1.208 | 84% | 0.84 | S | S | * | * | 81.5 | 0 | 106.4 | -84.7 | -48.3 | 0 | 0 | 0 | 111.9 |
Retrieved 382 of 382 residues in 509.3 ms
(Link to these results)