| 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 | 96.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 10.3 Ų | 10.3 | 32% | 0.315 | 5% | 0.052 | S | C | . | . | 0 | 140.1 | 0 | -172.1 | 177.1 | -71.8 | 0 | 0 | 108 | T4 Y61 F64 E288 L289 Y290 | M1-T4 HydrophobicContact SD-CG2 4.49Å; M1-Y61 HydrophobicContact CE-CD1 3.95Å; M1-Y61 HydrophobicContact CE-CE1 3.73Å; M1-Y61 HydrophobicContact SD-CD1 3.63Å; M1-Y61 HydrophobicContact SD-CE1 3.75Å; M1-F64 HydrophobicContact CB-CD1 4.49Å; M1-F64 HydrophobicContact CB-CD2 4.01Å; M1-F64 HydrophobicContact CB-CE2 4.28Å; M1-F64 HydrophobicContact CB-CG 4.13Å; M1-F64 HydrophobicContact CG-CD1 4.08Å; M1-F64 HydrophobicContact CG-CD2 4.34Å; M1-F64 HydrophobicContact CG-CE1 4.07Å; M1-F64 HydrophobicContact CG-CE2 4.34Å; M1-F64 HydrophobicContact CG-CG 4.22Å; M1-F64 HydrophobicContact CG-CZ 4.2Å; M1-F64 WeakPolarHBondContact O-CD2 3.34Å; M1-F64 WeakPolarHBondContact O-CE2 3.3Å; M1-F64 HydrophobicContact SD-CB 4.46Å; M1-F64 HydrophobicContact SD-CD1 3.58Å; M1-F64 VanDerWaalsContact SD-CD1 3.58Å; M1-F64 HydrophobicContact SD-CE1 3.95Å; M1-F64 HydrophobicContact SD-CG 4Å; M1-E288 HydrophobicContact CE-CB 4.38Å; M1-E288 HydrophobicContact CE-CG 4.14Å; M1-L289 CarbonylContact C-O 3.47Å; M1-L289 WeakPolarHBondContact CA-O 3.35Å; M1-Y290 HydrophobicContact CB-CD1 4.22Å; M1-Y290 HydrophobicContact CB-CE1 4.05Å; M1-Y290 HydrophobicContact CE-CE1 3.86Å; M1-Y290 WeakPolarHBondContact CE-OH 3.41Å; M1-Y290 HydrophobicContact CG-CE1 4.45Å | |||
| 2 | L | 97.9 | Very high | 98.4 | Very high | 43 Ų | 43 | 9.5 Ų | 9.5 | 23% | 0.225 | 5% | 0.048 | C | C | . | . | trans | -115.9 | -33 | 180 | -69.9 | -172.5 | 0 | 0 | 0 | 113.1 | F64 K243 L289 E291 Y296 | L2-F64 VanDerWaalsContact C-CZ 3.48Å; L2-F64 WeakPolarHBondContact O-CZ 3.42Å; L2-K243 WeakPolarHBondContact O-CE 2.98Å; L2-K243 PolarHBondContact O-NZ 2.84Å; L2-L289 HydrophobicContact CB-CD2 4.17Å; L2-L289 HydrophobicContact CB-CG 4.26Å; L2-L289 HydrophobicContact CD1-CD2 4.49Å; L2-L289 PolarHBondContact N-O 3.09Å; L2-E291 HydrophobicContact CD1-CB 3.55Å; L2-E291 HydrophobicContact CD1-CG 4.38Å; L2-E291 HydrophobicContact CD2-CB 4.45Å; L2-E291 HydrophobicContact CG-CB 3.91Å; L2-Y296 HydrophobicContact CD1-CD1 3.93Å; L2-Y296 HydrophobicContact CD1-CE1 3.58Å | ||
| 3 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142.4 | -178.4 | -179.2 | 67 | 0 | 0 | 0 | 108.6 | E5 Q239 I240 K243 A251 F254 L289 | L3-E5 HydrophobicContact CD2-CG 4.15Å; L3-E5 HydrophobicContact CG-CG 4.16Å; L3-Q239 HydrophobicContact CD2-CB 4.49Å; L3-I240 HydrophobicContact CD2-CG1 4.32Å; L3-K243 HydrophobicContact CB-CG 4.18Å; L3-K243 HydrophobicContact CD2-CB 4.14Å; L3-A251 HydrophobicContact CD1-CB 4.43Å; L3-F254 HydrophobicContact CD1-CD2 3.72Å; L3-F254 HydrophobicContact CD1-CE2 3.75Å; L3-F254 HydrophobicContact CD2-CD2 4.28Å; L3-F254 HydrophobicContact CD2-CE2 4.24Å; L3-F254 HydrophobicContact CG-CD2 4.41Å; L3-L289 HydrophobicContact CB-CB 4.05Å; L3-L289 HydrophobicContact CB-CD2 4.26Å; L3-L289 PolarHBondContact O-N 2.97Å |
| 4 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.9 | 165.7 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | M1 Y61 F64 K252 F253 F254 I287 | M1-T4 HydrophobicContact SD-CG2 4.49Å; T4-Y61 HydrophobicContact CG2-CD1 4.12Å; T4-Y61 HydrophobicContact CG2-CD2 4.27Å; T4-Y61 HydrophobicContact CG2-CE1 4Å; T4-Y61 HydrophobicContact CG2-CE2 4.15Å; T4-Y61 HydrophobicContact CG2-CG 4.27Å; T4-Y61 PolarHBondContact OG1-OH 3.1Å; T4-Y61 VanDerWaalsContact OG1-OH 3.09Å; T4-F64 HydrophobicContact CG2-CE1 4.18Å; T4-K252 WeakPolarHBondContact CG2-O 3.48Å; T4-K252 PolarHBondContact N-O 3.28Å; T4-F253 HydrophobicContact CG2-CB 4.41Å; T4-F253 HydrophobicContact CG2-CD2 3.67Å; T4-F253 HydrophobicContact CG2-CE2 4.49Å; T4-F253 HydrophobicContact CG2-CG 4.5Å; T4-F253 VanDerWaalsContact O-CA 3.3Å; T4-F253 WeakPolarHBondContact O-CA 3.32Å; T4-F254 PolarHBondContact O-N 3.2Å; T4-I287 CarbonylContact C-O 3.57Å; T4-I287 WeakPolarHBondContact CA-O 3.17Å |
| 5 | E | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.5 | 179.5 | -48.3 | 177.9 | 114.7 | 0 | 0 | 107.9 | L3 L236 Q239 F254 M286 I287 | L3-E5 HydrophobicContact CD2-CG 4.15Å; L3-E5 HydrophobicContact CG-CG 4.16Å; E5-L236 HydrophobicContact CB-CD2 3.54Å; E5-L236 HydrophobicContact CG-CD2 4.14Å; E5-L236 WeakPolarHBondContact OE1-CA 3.34Å; E5-Q239 WeakPolarHBondContact OE1-CB 3.45Å; E5-Q239 PolarHBondContact OE1-OE1 3.08Å; E5-F254 CarbonylContact C-O 3.54Å; E5-F254 VanDerWaalsContact CA-O 3.29Å; E5-F254 WeakPolarHBondContact CA-O 3.35Å; E5-F254 HydrophobicContact CB-CB 4.41Å; E5-F254 HydrophobicContact CG-CB 4.29Å; E5-F254 HydrophobicContact CG-CD2 4.24Å; E5-M286 CarbonylContact O-C 3.52Å; E5-M286 WeakPolarHBondContact O-CA 3.41Å; E5-I287 HydrophobicContact CB-CB 4.45Å; E5-I287 PolarHBondContact N-O 3.48Å; E5-I287 PolarHBondContact O-N 2.77Å |
| 6 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122 | -172.9 | -174 | 0 | 0 | 0 | 0 | 109 | W8 L57 Y61 F253 F254 G255 Y256 A284 I285 M286 | V6-W8 HydrophobicContact CB-CE3 4.02Å; V6-W8 HydrophobicContact CB-CZ3 3.93Å; V6-W8 HydrophobicContact CG1-CE3 3.56Å; V6-W8 HydrophobicContact CG1-CZ3 3.92Å; V6-W8 VanDerWaalsContact O-CZ3 3.3Å; V6-W8 WeakPolarHBondContact O-CZ3 3.39Å; V6-L57 HydrophobicContact CG1-CD1 4.12Å; V6-L57 HydrophobicContact CG1-CD2 3.96Å; V6-L57 HydrophobicContact CG2-CD2 4.22Å; V6-Y61 HydrophobicContact CG2-CE2 4.21Å; V6-F253 HydrophobicContact CB-CE2 4.13Å; V6-F253 HydrophobicContact CB-CZ 4.18Å; V6-F253 HydrophobicContact CG2-CD2 4.36Å; V6-F253 HydrophobicContact CG2-CE2 3.5Å; V6-F253 HydrophobicContact CG2-CZ 4.07Å; V6-F254 PolarHBondContact N-O 3.13Å; V6-G255 CarbonylContact O-C 3.52Å; V6-G255 WeakPolarHBondContact O-CA 3.36Å; V6-Y256 PolarHBondContact O-N 3.4Å; V6-A284 HydrophobicContact CG1-CB 4.45Å; V6-I285 CarbonylContact C-O 3.57Å; V6-I285 WeakPolarHBondContact CA-O 3.46Å; V6-M286 HydrophobicContact CB-CG 4.36Å; V6-M286 HydrophobicContact CG1-CG 3.96Å; V6-M286 HydrophobicContact CG2-CB 4.39Å; V6-M286 HydrophobicContact CG2-CG 3.82Å |
| 7 | V | 98.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.7 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | L232 L236 Y256 T258 I263 L266 A284 I285 | V7-L232 HydrophobicContact CG1-CD2 3.96Å; V7-L232 HydrophobicContact CG2-CD2 4.15Å; V7-L236 HydrophobicContact CG2-CD1 4.24Å; V7-L236 HydrophobicContact CG2-CD2 4.49Å; V7-Y256 WeakPolarHBondContact CA-O 3.4Å; V7-Y256 HydrophobicContact CG2-CD2 3.89Å; V7-Y256 HydrophobicContact CG2-CG 4.42Å; V7-T258 HydrophobicContact CG1-CG2 4.14Å; V7-I263 HydrophobicContact CG1-CG1 4.45Å; V7-L266 HydrophobicContact CB-CD2 4.2Å; V7-L266 HydrophobicContact CG1-CD2 4.36Å; V7-L266 HydrophobicContact CG2-CD2 3.88Å; V7-A284 CarbonylContact O-C 3.48Å; V7-A284 VanDerWaalsContact O-CA 3.24Å; V7-A284 WeakPolarHBondContact O-CA 3.37Å; V7-I285 PolarHBondContact N-O 3.3Å; V7-I285 PolarHBondContact O-N 2.83Å |
| 8 | W | 98.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.8 | -178.9 | 60.3 | 93.3 | 0 | 0 | 0 | 113.7 | V6 L53 V75 A87 C90 F253 G255 Y256 S257 T258 A283 A284 | V6-W8 HydrophobicContact CB-CE3 4.02Å; V6-W8 HydrophobicContact CB-CZ3 3.93Å; V6-W8 HydrophobicContact CG1-CE3 3.56Å; V6-W8 HydrophobicContact CG1-CZ3 3.92Å; V6-W8 VanDerWaalsContact O-CZ3 3.3Å; V6-W8 WeakPolarHBondContact O-CZ3 3.39Å; W8-L53 HydrophobicContact CB-CD2 3.77Å; W8-L53 HydrophobicContact CG-CD2 4Å; W8-V75 HydrophobicContact CH2-CG1 4.26Å; W8-V75 HydrophobicContact CZ2-CG1 4.42Å; W8-A87 HydrophobicContact CZ2-CB 4.28Å; W8-C90 HydrophobicContact CZ2-CB 4.2Å; W8-F253 HydrophobicContact CH2-CZ 4.48Å; W8-F253 HydrophobicContact CZ3-CZ 4.18Å; W8-G255 VanDerWaalsContact CZ3-CA 3.45Å; W8-Y256 PolarHBondContact N-O 2.96Å; W8-S257 PolarHBondContact NE1-OG 3.17Å; W8-S257 VanDerWaalsContact NE1-OG 3.08Å; W8-T258 WeakPolarHBondContact O-CA 3.29Å; W8-T258 PolarHBondContact O-N 3.39Å; W8-T258 PolarHBondContact O-OG1 2.96Å; W8-A283 CarbonylContact C-O 3.28Å; W8-A283 WeakPolarHBondContact CA-O 3.37Å; W8-A283 WeakPolarHBondContact CB-O 3.33Å; W8-A284 HydrophobicContact CB-CB 4.02Å |
| 9 | R | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 144.4 | 167.9 | -176 | -179.4 | -174.8 | -158.4 | -0.6 | 108.5 | Y183 D260 I263 P279 E280 F281 A283 | R9-Y183 PolarHBondContact NH1-OH 3.03Å; R9-D260 IonicContact CZ-OD2 3.91Å; R9-D260 IonicContact NE-OD2 3.08Å; R9-D260 PolarHBondContact NE-OD2 3.18Å; R9-D260 VanDerWaalsContact NE-OD2 3.12Å; R9-D260 IonicContact NH2-OD2 3.98Å; R9-D260 PolarHBondContact NH2-OD2 3.34Å; R9-I263 HydrophobicContact CB-CD1 4.04Å; R9-P279 WeakPolarHBondContact CD-O 3.41Å; R9-P279 PolarHBondContact NH1-O 3.43Å; R9-E280 WeakPolarHBondContact CD-O 2.97Å; R9-F281 VanDerWaalsContact NH1-N 3.1Å; R9-A283 HydrophobicContact CB-CB 4.46Å; R9-A283 PolarHBondContact N-O 2.84Å |
| 10 | H | 98.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 161.3 | 170 | 61.5 | 68.2 | 0 | 0 | 0 | 113.1 | R13 R82 T83 T86 T258 H259 F281 M282 | H10-R13 PolarHBondContact CE1-NE 2.96Å; H10-R13 VanDerWaalsContact CE1-NE 3.35Å; H10-R82 HydrophobicContact CB-CG 4.25Å; H10-R82 PolarHBondContact CD2-NE 2.98Å; H10-R82 PolarHBondContact NE2-NE 2.94Å; H10-R82 VanDerWaalsContact NE2-NE 3.13Å; H10-T83 HydrophobicContact CB-CG2 3.81Å; H10-T86 WeakPolarHBondContact CA-OG1 3.38Å; H10-T258 PolarHBondContact CD2-O 3.09Å; H10-T258 PolarHBondContact N-O 2.89Å; H10-H259 AromaticContact CD2-CE1 3.94Å; H10-H259 AromaticContact CD2-ND1 3.39Å; H10-H259 PolarHBondContact CD2-ND1 3.46Å; H10-H259 AromaticContact NE2-ND1 3.55Å; H10-F281 AromaticContact CE1-CE1 3.86Å; H10-M282 PolarHBondContact O-N 2.92Å |
| 11 | G | 98.2 | Very high | 89 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 171.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R13 L42 T86 F281 M282 | G11-R13 PolarHBondContact O-N 3.21Å; G11-L42 WeakPolarHBondContact O-CD2 3.41Å; G11-T86 PolarHBondContact N-OG1 3.42Å; G11-F281 WeakPolarHBondContact O-CD1 3.43Å; G11-M282 WeakPolarHBondContact CA-SD 3.19Å; G11-M282 PolarHBondContact N-SD 2.8Å |
| 12 | A | 97.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 135.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L42 T43 V45 G46 F281 | A12-L42 WeakPolarHBondContact O-CA 3.37Å; A12-L42 WeakPolarHBondContact O-CD2 3.22Å; A12-T43 PolarHBondContact O-N 3.28Å; A12-T43 PolarHBondContact O-OG1 3.14Å; A12-V45 HydrophobicContact CB-CB 4.49Å; A12-V45 HydrophobicContact CB-CG1 4.4Å; A12-G46 VanDerWaalsContact N-CA 3.28Å; A12-G46 WeakPolarHBondContact O-CA 3.34Å; A12-F281 VanDerWaalsContact CA-CD2 3.46Å; A12-F281 VanDerWaalsContact CA-CG 3.44Å; A12-F281 HydrophobicContact CB-CB 4.31Å; A12-F281 HydrophobicContact CB-CD2 3.46Å; A12-F281 VanDerWaalsContact CB-CD2 3.46Å; A12-F281 HydrophobicContact CB-CE2 3.77Å; A12-F281 HydrophobicContact CB-CG 3.88Å; A12-F281 HydrophobicContact CB-CZ 4.45Å |
| 13 | R | 94.4 | Very high | 84.5 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -132.7 | 159.7 | -175.1 | 55 | 150.7 | 165.5 | 83.4 | 1.3 | 111 | H10 G11 E41 E180 S184 F281 | H10-R13 PolarHBondContact CE1-NE 2.96Å; H10-R13 VanDerWaalsContact CE1-NE 3.35Å; G11-R13 PolarHBondContact O-N 3.21Å; R13-E41 CarbonylContact C-O 3.51Å; R13-E41 WeakPolarHBondContact CA-O 3.4Å; R13-E41 VanDerWaalsContact CB-O 3.25Å; R13-E41 WeakPolarHBondContact CB-O 3.49Å; R13-E180 IonicContact CZ-OE2 3.34Å; R13-E180 IonicContact NH1-OE2 3.74Å; R13-E180 PolarHBondContact NH1-OE2 2.84Å; R13-E180 IonicContact NH2-OE1 2.84Å; R13-E180 IonicContact NH2-OE2 3.68Å; R13-E180 PolarHBondContact NH2-OE2 3.02Å; R13-S184 PolarHBondContact NH1-OG 3.4Å; R13-S184 VanDerWaalsContact O-CB 3.3Å; R13-S184 WeakPolarHBondContact O-CB 3.39Å; R13-F281 HydrophobicContact CG-CE1 3.97Å; R13-F281 HydrophobicContact CG-CZ 4.13Å |
| 14 | T | 92.4 | Very high | 82 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | trans | -65 | 159.4 | 166.8 | 58.2 | 0 | 0 | 0 | 0 | 111 | Y37 T38 E40 E41 T43 | T14-Y37 HydrophobicContact CG2-CD2 4.16Å; T14-Y37 HydrophobicContact CG2-CG 4.06Å; T14-T38 PolarHBondContact OG1-O 2.93Å; T14-E40 PolarHBondContact OG1-N 3.22Å; T14-E40 VanDerWaalsContact OG1-N 3.12Å; T14-E41 PolarHBondContact N-O 3.24Å; T14-E41 PolarHBondContact OG1-N 3.21Å; T14-E41 VanDerWaalsContact OG1-N 3.1Å; T14-E41 PolarHBondContact OG1-O 2.94Å; T14-T43 HydrophobicContact CG2-CG2 4.09Å | ||
| 15 | P | 89.8 | Confident | 78.9 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -50.5 | 153.3 | 175.9 | -29.6 | 35.5 | 0 | 0 | 0 | 114.6 | S17 Y37 P39 E40 P181 V185 | P15-S17 VanDerWaalsContact C-N 3.28Å; P15-S17 PolarHBondContact O-N 3.46Å; P15-Y37 HydrophobicContact CB-CE2 3.86Å; P15-Y37 WeakPolarHBondContact CB-OH 3.32Å; P15-Y37 HydrophobicContact CG-CE1 4.15Å; P15-Y37 HydrophobicContact CG-CE2 3.89Å; P15-Y37 WeakPolarHBondContact CG-OH 3.32Å; P15-P39 WeakPolarHBondContact O-CA 3.4Å; P15-E40 PolarHBondContact O-N 3.2Å; P15-P181 HydrophobicContact CB-CB 4.07Å; P15-P181 HydrophobicContact CG-CB 4.29Å; P15-V185 HydrophobicContact CG-CG2 4.09Å | ||
| 16 | L | 82.2 | Confident | 75.9 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -70 | -24.8 | -176 | -60.9 | 176 | 0 | 0 | 0 | 114 | E40 Y176 E180 | L16-E40 HydrophobicContact CB-CG 4.25Å; L16-E40 HydrophobicContact CD2-CG 3.64Å; L16-Y176 HydrophobicContact CD1-CE1 4.36Å; L16-Y176 WeakPolarHBondContact CD1-OH 3.46Å; L16-E180 HydrophobicContact CD1-CG 4.42Å |
| 17 | S | 77.8 | Confident | 73.1 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -133.6 | 173.1 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | P15 S19 Y37 | P15-S17 VanDerWaalsContact C-N 3.28Å; P15-S17 PolarHBondContact O-N 3.46Å; S17-S19 PolarHBondContact O-N 2.82Å; S17-Y37 PolarHBondContact O-OH 2.98Å |
| 18 | H | 67.9 | Low | 70.5 | Confident | 115 Ų | 115 | 57.8 Ų | 57.8 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -55.9 | 125.2 | 161.3 | -60.2 | -53.3 | 0 | 0 | 0 | 108 | ||
| 19 | S | 61.7 | Low | 67.8 | Low | 41 Ų | 41 | 60.7 Ų | 60.7 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | trans | -51.2 | 130.2 | -173.8 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | S17 F21 Y37 | S17-S19 PolarHBondContact O-N 2.82Å; S19-F21 PolarHBondContact O-N 3.26Å; S19-F21 WeakPolarHBondContact OG-CB 3.41Å; S19-F21 WeakPolarHBondContact OG-CD2 3.32Å; S19-F21 WeakPolarHBondContact OG-CG 3.34Å; S19-F21 PolarHBondContact OG-N 2.92Å; S19-Y37 VanDerWaalsContact CB-OH 3.32Å; S19-Y37 WeakPolarHBondContact CB-OH 2.94Å; S19-Y37 PolarHBondContact N-OH 3.09Å | ||
| 20 | P | 56.8 | Low | 64.7 | Low | 42 Ų | 42 | 64.4 Ų | 64.4 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -8.6 | 175.5 | 30.4 | -34 | 0 | 0 | 0 | 112.4 | G22 L167 | P20-G22 PolarHBondContact O-N 2.62Å; P20-L167 HydrophobicContact CB-CD1 4.44Å; P20-L167 HydrophobicContact CB-CD2 4.33Å; P20-L167 HydrophobicContact CB-CG 4.5Å; P20-L167 HydrophobicContact CG-CD1 4.3Å |
| 21 | F | 65.5 | Low | 61.8 | Low | 23 Ų | 23 | 70.6 Ų | 70.6 | 10% | 0.101 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 5.7 | -167.5 | -52.6 | -41 | 0 | 0 | 0 | 115.7 | S19 T165 V178 P181 L182 P196 W198 | S19-F21 PolarHBondContact O-N 3.26Å; S19-F21 WeakPolarHBondContact OG-CB 3.41Å; S19-F21 WeakPolarHBondContact OG-CD2 3.32Å; S19-F21 WeakPolarHBondContact OG-CG 3.34Å; S19-F21 PolarHBondContact OG-N 2.92Å; F21-T165 HydrophobicContact CD1-CG2 3.98Å; F21-T165 HydrophobicContact CE1-CG2 4.02Å; F21-V178 HydrophobicContact CE1-CG1 4.19Å; F21-V178 HydrophobicContact CZ-CG1 4.4Å; F21-P181 HydrophobicContact CE2-CB 3.6Å; F21-P181 HydrophobicContact CZ-CB 3.81Å; F21-P181 HydrophobicContact CZ-CG 4.37Å; F21-L182 HydrophobicContact CD2-CD2 4.22Å; F21-L182 HydrophobicContact CE2-CD2 3.55Å; F21-L182 HydrophobicContact CE2-CG 3.82Å; F21-L182 HydrophobicContact CZ-CD2 3.85Å; F21-L182 HydrophobicContact CZ-CG 3.68Å; F21-P196 HydrophobicContact CB-CB 4.1Å; F21-P196 HydrophobicContact CB-CG 4.28Å; F21-P196 HydrophobicContact CD2-CG 4.19Å; F21-P196 HydrophobicContact CG-CB 4.49Å; F21-P196 HydrophobicContact CG-CG 4.13Å; F21-W198 HydrophobicContact CD1-CH2 4.17Å; F21-W198 AromaticContact CD1-CZ2 3.56Å; F21-W198 HydrophobicContact CD1-CZ2 3.56Å; F21-W198 AromaticContact CE1-CH2 3.97Å; F21-W198 HydrophobicContact CE1-CH2 3.97Å; F21-W198 AromaticContact CE1-CZ2 3.82Å; F21-W198 HydrophobicContact CE1-CZ2 3.82Å; F21-W198 HydrophobicContact CG-CZ2 4.17Å; F21-W198 HydrophobicContact CZ-CH2 4.48Å |
| 22 | G | 52.7 | Low | 59.1 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 56% | 0.557 | 46% | 0.455 | S | S | * | . | trans | 65.6 | 148 | -168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P20 | P20-G22 PolarHBondContact O-N 2.62Š| ||
| 23 | E | 47.6 | Very low | 56.5 | Low | 104 Ų | 104 | 81.2 Ų | 81.2 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | trans | -62.4 | 149.3 | 169.8 | -65.9 | 179 | 174.2 | 0 | 0 | 108.3 | E25 T33 | E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.91Å; E23-T33 WeakPolarHBondContact OE1-CA 3.25Å | ||
| 24 | A | 45.4 | Very low | 54.2 | Low | 79 Ų | 79 | 88.6 Ų | 88.6 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | trans | -57.9 | 103.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | D26 | A24-D26 PolarHBondContact O-N 3.43Š| ||
| 25 | E | 35.5 | Very low | 52.2 | Low | 162 Ų | 162 | 97.6 Ų | 97.6 | 76% | 0.757 | 55% | 0.55 | S | S | * | * | trans | -53.6 | 108 | 162.6 | -69.5 | -179.7 | 162.9 | 0 | 0 | 106.5 | E23 | E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.91Å | ||
| 26 | D | 35.8 | Very low | 50.9 | Low | 149 Ų | 149 | 102.3 Ų | 102.3 | 80% | 0.797 | 57% | 0.574 | S | S | * | * | trans | 170.6 | 79 | 144 | -78.7 | -29.7 | 0 | 0 | 0 | 110.5 | A24 | A24-D26 PolarHBondContact O-N 3.43Š| ||
| 27 | D | 39.6 | Very low | 50.4 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | trans | -145.5 | 114.5 | 133.6 | -158.6 | 1.3 | 0 | 0 | 0 | 107.1 | S29 | D27-S29 PolarHBondContact O-N 3.23Š| ||
| 28 | D | 43.2 | Very low | 50.7 | Low | 172 Ų | 172 | 103.5 Ų | 103.5 | 92% | 0.92 | 58% | 0.577 | S | S | * | * | trans | -67.8 | 24.8 | -177.1 | -162.6 | 26.3 | 0 | 0 | 0 | 112.3 | G30 | D28-G30 VanDerWaalsContact C-N 3.34Å; D28-G30 PolarHBondContact O-N 3.14Å | ||
| 29 | S | 42.5 | Very low | 51.6 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -88.2 | 2.9 | -172.7 | 87.8 | 0 | 0 | 0 | 0 | 113.5 | D27 I31 | D27-S29 PolarHBondContact O-N 3.23Å; S29-I31 PolarHBondContact O-N 3.04Å; S29-I31 VanDerWaalsContact O-N 3.09Å |
| 30 | G | 34.5 | Very low | 53 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | trans | 61.3 | 21 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D28 | D28-G30 VanDerWaalsContact C-N 3.34Å; D28-G30 PolarHBondContact O-N 3.14Å | ||
| 31 | I | 36.5 | Very low | 54.8 | Low | 129 Ų | 129 | 101 Ų | 101 | 66% | 0.662 | 56% | 0.561 | S | S | * | * | trans | -98.1 | 108.3 | 179.1 | -62.8 | 174.8 | 0 | 0 | 0 | 109.6 | S29 | S29-I31 PolarHBondContact O-N 3.04Å; S29-I31 VanDerWaalsContact O-N 3.09Å | ||
| 32 | T | 41.5 | Very low | 56.3 | Low | 117 Ų | 117 | 100.8 Ų | 100.8 | 72% | 0.718 | 56% | 0.561 | S | S | * | * | trans | -38.1 | 125.6 | 171.1 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | K34 | T32-K34 PolarHBondContact O-N 3.26Š| ||
| 33 | T | 43.3 | Very low | 58.3 | Low | 108 Ų | 108 | 98.7 Ų | 98.7 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | trans | 30.9 | 69 | 156.5 | 54.5 | 0 | 0 | 0 | 0 | 115.4 | E23 R35 | E23-T33 WeakPolarHBondContact OE1-CA 3.25Å; T33-R35 PolarHBondContact O-N 3.37Å | ||
| 34 | K | 45.6 | Very low | 60.6 | Low | 161 Ų | 161 | 99.2 Ų | 99.2 | 70% | 0.7 | 54% | 0.54 | S | S | * | . | trans | -68.7 | 104.3 | 177.7 | -161.8 | 177 | -174.4 | 178.7 | 0 | 107.9 | T32 L36 | T32-K34 PolarHBondContact O-N 3.26Å; K34-L36 PolarHBondContact O-N 2.88Å | ||
| 35 | R | 50.8 | Low | 63 | Low | 207 Ų | 207 | 96.6 Ų | 96.6 | 78% | 0.781 | 52% | 0.516 | S | S | * | . | trans | -50.2 | 105.7 | 172.3 | -72.4 | -177.9 | 180 | 164.1 | 0.5 | 109.1 | T33 Y37 | T33-R35 PolarHBondContact O-N 3.37Å; R35-Y37 PolarHBondContact O-N 3.32Å | ||
| 36 | L | 62.7 | Low | 66 | Low | 102 Ų | 102 | 88.9 Ų | 88.9 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | trans | -69.3 | -24.4 | -178.6 | -68.9 | 173.5 | 0 | 0 | 0 | 112.4 | K34 | K34-L36 PolarHBondContact O-N 2.88Š| ||
| 37 | Y | 72.6 | Confident | 68.9 | Low | 31 Ų | 31 | 85.1 Ų | 85.1 | 12% | 0.122 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -161.6 | 159 | -179.2 | 50.6 | -94.4 | 0 | 0 | 0 | 110.9 | T14 P15 S17 S19 R35 | T14-Y37 HydrophobicContact CG2-CD2 4.16Å; T14-Y37 HydrophobicContact CG2-CG 4.06Å; P15-Y37 HydrophobicContact CB-CE2 3.86Å; P15-Y37 WeakPolarHBondContact CB-OH 3.32Å; P15-Y37 HydrophobicContact CG-CE1 4.15Å; P15-Y37 HydrophobicContact CG-CE2 3.89Å; P15-Y37 WeakPolarHBondContact CG-OH 3.32Å; S17-Y37 PolarHBondContact O-OH 2.98Å; S19-Y37 VanDerWaalsContact CB-OH 3.32Å; S19-Y37 WeakPolarHBondContact CB-OH 2.94Å; S19-Y37 PolarHBondContact N-OH 3.09Å; R35-Y37 PolarHBondContact O-N 3.32Å |
| 38 | T | 82.5 | Confident | 71.7 | Confident | 99 Ų | 99 | 85.5 Ų | 85.5 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | trans | -79.1 | 126.5 | 163 | -57.2 | 0 | 0 | 0 | 0 | 108.1 | T14 E41 | T14-T38 PolarHBondContact OG1-O 2.93Å; T38-E41 HydrophobicContact CG2-CG 3.77Å | ||
| 39 | P | 87.3 | Confident | 74.3 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 23% | 0.234 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 153.7 | -178.5 | -24.2 | 34 | 0 | 0 | 0 | 113.5 | P15 E41 | P15-P39 WeakPolarHBondContact O-CA 3.4Å; P39-E41 PolarHBondContact O-N 3.34Å |
| 40 | E | 91.5 | Very high | 77 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 1.6 | 172.3 | -67.2 | -161.4 | -112.2 | 0 | 0 | 118.1 | T14 P15 L16 K80 R82 | T14-E40 PolarHBondContact OG1-N 3.22Å; T14-E40 VanDerWaalsContact OG1-N 3.12Å; P15-E40 PolarHBondContact O-N 3.2Å; L16-E40 HydrophobicContact CB-CG 4.25Å; L16-E40 HydrophobicContact CD2-CG 3.64Å; E40-K80 IonicContact OE2-NZ 2.83Å; E40-R82 WeakPolarHBondContact O-CD 3.41Å; E40-R82 PolarHBondContact O-NH1 3.24Å; E40-R82 IonicContact OE2-CZ 3.58Å; E40-R82 IonicContact OE2-NH1 3.51Å; E40-R82 PolarHBondContact OE2-NH1 3.17Å; E40-R82 IonicContact OE2-NH2 3.78Å; E40-R82 PolarHBondContact OE2-NH2 2.95Å; E40-R82 VanDerWaalsContact OE2-NH2 3.08Å |
| 41 | E | 94.7 | Very high | 80.1 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 23% | 0.234 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 154.3 | -176.8 | -64.6 | -56.9 | 155.2 | 0 | 0 | 112.7 | R13 T14 T38 P39 N81 | R13-E41 CarbonylContact C-O 3.51Å; R13-E41 WeakPolarHBondContact CA-O 3.4Å; R13-E41 VanDerWaalsContact CB-O 3.25Å; R13-E41 WeakPolarHBondContact CB-O 3.49Å; T14-E41 PolarHBondContact N-O 3.24Å; T14-E41 PolarHBondContact OG1-N 3.21Å; T14-E41 VanDerWaalsContact OG1-N 3.1Å; T14-E41 PolarHBondContact OG1-O 2.94Å; T38-E41 HydrophobicContact CG2-CG 3.77Å; P39-E41 PolarHBondContact O-N 3.34Å; E41-N81 PolarHBondContact OE1-ND2 2.94Å; E41-N81 WeakPolarHBondContact OE2-CB 3.3Å |
| 42 | L | 96.3 | Very high | 83 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 138 | 177.1 | -72.7 | 179.1 | 0 | 0 | 0 | 111.3 | G11 A12 I47 R82 Q85 L89 | G11-L42 WeakPolarHBondContact O-CD2 3.41Å; A12-L42 WeakPolarHBondContact O-CA 3.37Å; A12-L42 WeakPolarHBondContact O-CD2 3.22Å; L42-I47 HydrophobicContact CB-CG1 4.21Å; L42-I47 HydrophobicContact CD1-CG1 4.44Å; L42-R82 HydrophobicContact CD2-CB 3.91Å; L42-R82 HydrophobicContact CG-CB 3.87Å; L42-Q85 HydrophobicContact CD1-CB 3.63Å; L42-L89 HydrophobicContact CD1-CD1 4.26Å |
| 43 | T | 95.2 | Very high | 85.7 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 168.5 | 168.4 | 66.2 | 0 | 0 | 0 | 0 | 110.3 | A12 T14 V45 G46 I47 D188 | A12-T43 PolarHBondContact O-N 3.28Å; A12-T43 PolarHBondContact O-OG1 3.14Å; T14-T43 HydrophobicContact CG2-CG2 4.09Å; T43-V45 PolarHBondContact O-N 3.04Å; T43-V45 PolarHBondContact OG1-N 3.22Å; T43-G46 PolarHBondContact O-N 3.02Å; T43-G46 VanDerWaalsContact O-N 3.09Å; T43-G46 PolarHBondContact OG1-N 2.92Å; T43-G46 VanDerWaalsContact OG1-N 3.15Å; T43-I47 WeakPolarHBondContact O-CG1 3.43Å; T43-I47 PolarHBondContact O-N 3.38Å; T43-D188 HydrophobicContact CG2-CB 4.43Å |
| 44 | E | 95 | Very high | 88.4 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.9 | -34.9 | 172.2 | -66 | -172.4 | -177.1 | 0 | 0 | 112.8 | I47 R48 | E44-I47 PolarHBondContact O-N 3.38Å; E44-R48 WeakPolarHBondContact O-CG 3.36Å; E44-R48 PolarHBondContact O-N 3.23Å; E44-R48 VanDerWaalsContact O-N 3.08Å; E44-R48 IonicContact OE2-CZ 3.59Å; E44-R48 IonicContact OE2-NH1 3.38Å; E44-R48 IonicContact OE2-NH2 2.66Å; E44-R48 PolarHBondContact OE2-NH2 3.47Å |
| 45 | V | 96.5 | Very high | 90.9 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | A12 T43 I47 R48 D49 A189 M306 | A12-V45 HydrophobicContact CB-CB 4.49Å; A12-V45 HydrophobicContact CB-CG1 4.4Å; T43-V45 PolarHBondContact O-N 3.04Å; T43-V45 PolarHBondContact OG1-N 3.22Å; V45-I47 VanDerWaalsContact C-N 3.28Å; V45-I47 PolarHBondContact O-N 3.04Å; V45-R48 PolarHBondContact O-N 3.21Å; V45-D49 PolarHBondContact O-N 3.14Å; V45-A189 HydrophobicContact CG2-CB 3.72Å; V45-M306 HydrophobicContact CG1-CE 3.88Å |
| 46 | G | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A12 T43 S50 | A12-G46 VanDerWaalsContact N-CA 3.28Å; A12-G46 WeakPolarHBondContact O-CA 3.34Å; T43-G46 PolarHBondContact O-N 3.02Å; T43-G46 VanDerWaalsContact O-N 3.09Å; T43-G46 PolarHBondContact OG1-N 2.92Å; T43-G46 VanDerWaalsContact OG1-N 3.15Å; G46-S50 VanDerWaalsContact O-CB 3.3Å; G46-S50 WeakPolarHBondContact O-CB 3.32Å; G46-S50 PolarHBondContact O-N 3.15Å; G46-S50 PolarHBondContact O-OG 3.19Å |
| 47 | I | 98.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 36% | 0.359 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.4 | -68.2 | 168.6 | 0 | 0 | 0 | 111 | L42 T43 E44 V45 S50 Y51 L89 | L42-I47 HydrophobicContact CB-CG1 4.21Å; L42-I47 HydrophobicContact CD1-CG1 4.44Å; T43-I47 WeakPolarHBondContact O-CG1 3.43Å; T43-I47 PolarHBondContact O-N 3.38Å; E44-I47 PolarHBondContact O-N 3.38Å; V45-I47 VanDerWaalsContact C-N 3.28Å; V45-I47 PolarHBondContact O-N 3.04Å; I47-S50 PolarHBondContact O-N 3.38Å; I47-Y51 PolarHBondContact O-N 3.14Å; I47-L89 HydrophobicContact CB-CD1 4.14Å; I47-L89 HydrophobicContact CG1-CD1 4.16Å; I47-L89 HydrophobicContact CG2-CD1 3.91Å; I47-L89 HydrophobicContact CG2-CD2 4Å |
| 48 | R | 98.2 | Very high | 96 | Very high | 143 Ų | 143 | 44.7 Ų | 44.7 | 54% | 0.54 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -45.6 | -178.9 | -69 | 174.8 | -168.1 | 124.7 | 10.8 | 111.7 | E44 V45 S50 Y51 E52 | E44-R48 WeakPolarHBondContact O-CG 3.36Å; E44-R48 PolarHBondContact O-N 3.23Å; E44-R48 VanDerWaalsContact O-N 3.08Å; E44-R48 IonicContact OE2-CZ 3.59Å; E44-R48 IonicContact OE2-NH1 3.38Å; E44-R48 IonicContact OE2-NH2 2.66Å; E44-R48 PolarHBondContact OE2-NH2 3.47Å; V45-R48 PolarHBondContact O-N 3.21Å; R48-S50 VanDerWaalsContact C-N 3.34Å; R48-S50 PolarHBondContact O-N 2.92Å; R48-Y51 PolarHBondContact O-N 3.33Å; R48-E52 PolarHBondContact O-N 2.91Å |
| 49 | D | 97.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -29.8 | -179.2 | -71.5 | -20.7 | 0 | 0 | 0 | 112.6 | V45 E52 L53 M282 | V45-D49 PolarHBondContact O-N 3.14Å; D49-E52 PolarHBondContact O-N 3.35Å; D49-L53 PolarHBondContact O-N 3.4Å; D49-M282 HydrophobicContact CB-CG 3.82Å |
| 50 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 172.2 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | G46 I47 R48 L53 G54 C90 M282 | G46-S50 VanDerWaalsContact O-CB 3.3Å; G46-S50 WeakPolarHBondContact O-CB 3.32Å; G46-S50 PolarHBondContact O-N 3.15Å; G46-S50 PolarHBondContact O-OG 3.19Å; I47-S50 PolarHBondContact O-N 3.38Å; R48-S50 VanDerWaalsContact C-N 3.34Å; R48-S50 PolarHBondContact O-N 2.92Å; S50-L53 PolarHBondContact O-N 3.12Å; S50-G54 PolarHBondContact O-N 3.4Å; S50-C90 WeakPolarHBondContact O-CA 3.26Å; S50-C90 PolarHBondContact O-SG 2.78Å; S50-M282 PolarHBondContact OG-SD 3.19Å |
| 51 | Y | 98.6 | Very high | 97.6 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | -178.7 | -101.1 | 0 | 0 | 0 | 112 | I47 R48 L53 G54 Q55 A92 | I47-Y51 PolarHBondContact O-N 3.14Å; R48-Y51 PolarHBondContact O-N 3.33Å; Y51-L53 PolarHBondContact O-N 3.04Å; Y51-G54 WeakPolarHBondContact O-CA 3.42Å; Y51-G54 PolarHBondContact O-N 3.35Å; Y51-Q55 HydrophobicContact CD1-CG 4.22Å; Y51-Q55 HydrophobicContact CE1-CG 3.87Å; Y51-Q55 PolarHBondContact O-N 3.16Å; Y51-Q55 VanDerWaalsContact O-N 3.08Å; Y51-A92 HydrophobicContact CD2-CB 4.14Å; Y51-A92 HydrophobicContact CE2-CB 4.17Å |
| 52 | E | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 178 | -179.2 | -92.6 | -170.2 | 0 | 0 | 112.6 | R48 D49 G54 Q55 V56 R303 K309 | R48-E52 PolarHBondContact O-N 2.91Å; D49-E52 PolarHBondContact O-N 3.35Å; E52-G54 PolarHBondContact O-N 3.33Å; E52-Q55 WeakPolarHBondContact O-CB 3.47Å; E52-Q55 PolarHBondContact O-N 3.29Å; E52-V56 WeakPolarHBondContact O-CG2 3.36Å; E52-V56 PolarHBondContact O-N 3.01Å; E52-R303 IonicContact OE1-NH2 3.33Å; E52-R303 PolarHBondContact OE1-NH2 3.22Å; E52-R303 IonicContact OE2-CZ 3.73Å; E52-R303 IonicContact OE2-NH1 3.83Å; E52-R303 IonicContact OE2-NH2 3.87Å; E52-R303 PolarHBondContact OE2-NH2 2.83Å; E52-K309 IonicContact OE1-NZ 3.99Å; E52-K309 PolarHBondContact OE1-NZ 3.3Å; E52-K309 IonicContact OE2-NZ 2.85Å |
| 53 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 172.3 | 177 | 61.1 | 0 | 0 | 0 | 110.6 | W8 D49 S50 Y51 Q55 V56 L57 M282 A284 | W8-L53 HydrophobicContact CB-CD2 3.77Å; W8-L53 HydrophobicContact CG-CD2 4Å; D49-L53 PolarHBondContact O-N 3.4Å; S50-L53 PolarHBondContact O-N 3.12Å; Y51-L53 PolarHBondContact O-N 3.04Å; L53-Q55 VanDerWaalsContact C-N 3.3Å; L53-Q55 PolarHBondContact O-N 3.01Å; L53-V56 WeakPolarHBondContact O-CB 3.09Å; L53-V56 PolarHBondContact O-N 2.98Å; L53-V56 VanDerWaalsContact O-N 3.12Å; L53-L57 HydrophobicContact CD1-CD1 4.48Å; L53-L57 HydrophobicContact CD1-CD2 4.39Å; L53-L57 HydrophobicContact CD1-CG 4.16Å; L53-L57 HydrophobicContact CG-CD1 4.19Å; L53-L57 HydrophobicContact CG-CG 4.32Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 3.34Å; L53-M282 HydrophobicContact CB-CE 3.59Å; L53-M282 HydrophobicContact CD2-CE 3.28Å; L53-M282 HydrophobicContact CG-CE 4.04Å; L53-A284 HydrophobicContact CD1-CB 4.34Å; L53-A284 HydrophobicContact CD2-CB 4.27Å |
| 54 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.7 | -45.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | S50 Y51 E52 L57 R58 C90 G93 M94 | S50-G54 PolarHBondContact O-N 3.4Å; Y51-G54 WeakPolarHBondContact O-CA 3.42Å; Y51-G54 PolarHBondContact O-N 3.35Å; E52-G54 PolarHBondContact O-N 3.33Å; G54-L57 PolarHBondContact O-N 3.36Å; G54-R58 PolarHBondContact O-N 3.28Å; G54-C90 WeakPolarHBondContact CA-O 3.43Å; G54-G93 VanDerWaalsContact C-C 3.41Å; G54-G93 CarbonylContact C-O 3.44Å; G54-G93 CarbonylContact O-C 3.44Å; G54-M94 WeakPolarHBondContact O-CA 3.43Å; G54-M94 PolarHBondContact O-N 3.3Å |
| 55 | Q | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 176.8 | -61 | -178.6 | -66.4 | 0 | 0 | 112.5 | Y51 E52 L53 R58 N59 | Y51-Q55 HydrophobicContact CD1-CG 4.22Å; Y51-Q55 HydrophobicContact CE1-CG 3.87Å; Y51-Q55 PolarHBondContact O-N 3.16Å; Y51-Q55 VanDerWaalsContact O-N 3.08Å; E52-Q55 WeakPolarHBondContact O-CB 3.47Å; E52-Q55 PolarHBondContact O-N 3.29Å; L53-Q55 VanDerWaalsContact C-N 3.3Å; L53-Q55 PolarHBondContact O-N 3.01Å; Q55-R58 WeakPolarHBondContact O-CB 3.49Å; Q55-R58 PolarHBondContact O-N 3Å; Q55-N59 VanDerWaalsContact O-CG 3.25Å; Q55-N59 PolarHBondContact O-N 3.24Å; Q55-N59 PolarHBondContact O-ND2 3.14Å |
| 56 | V | 98.2 | Very high | 97.9 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | E52 L53 N59 R60 M311 | E52-V56 WeakPolarHBondContact O-CG2 3.36Å; E52-V56 PolarHBondContact O-N 3.01Å; L53-V56 WeakPolarHBondContact O-CB 3.09Å; L53-V56 PolarHBondContact O-N 2.98Å; L53-V56 VanDerWaalsContact O-N 3.12Å; V56-N59 PolarHBondContact O-N 3.27Å; V56-R60 WeakPolarHBondContact O-CB 3.33Å; V56-R60 PolarHBondContact O-N 3.29Å; V56-M311 HydrophobicContact CG1-CE 3.54Å |
| 57 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.7 | -62.4 | 174.9 | 0 | 0 | 0 | 111.5 | V6 L53 G54 N59 R60 Y61 M94 M286 | V6-L57 HydrophobicContact CG1-CD1 4.12Å; V6-L57 HydrophobicContact CG1-CD2 3.96Å; V6-L57 HydrophobicContact CG2-CD2 4.22Å; L53-L57 HydrophobicContact CD1-CD1 4.48Å; L53-L57 HydrophobicContact CD1-CD2 4.39Å; L53-L57 HydrophobicContact CD1-CG 4.16Å; L53-L57 HydrophobicContact CG-CD1 4.19Å; L53-L57 HydrophobicContact CG-CG 4.32Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 3.34Å; G54-L57 PolarHBondContact O-N 3.36Å; L57-N59 PolarHBondContact O-N 2.87Å; L57-R60 PolarHBondContact O-N 3.34Å; L57-Y61 HydrophobicContact CB-CD2 4.32Å; L57-Y61 HydrophobicContact CB-CE2 4.47Å; L57-Y61 HydrophobicContact CD2-CE2 3.91Å; L57-Y61 WeakPolarHBondContact O-CD2 3.3Å; L57-Y61 PolarHBondContact O-N 2.77Å; L57-M94 HydrophobicContact CB-CE 4.39Å; L57-M94 HydrophobicContact CB-CG 4.28Å; L57-M94 HydrophobicContact CB-SD 3.89Å; L57-M94 HydrophobicContact CD1-SD 4.26Å; L57-M286 HydrophobicContact CD2-CG 4.46Å |
| 58 | R | 98.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 59.5 Ų | 59.5 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.1 | -54.9 | 171.5 | -179.6 | 75.8 | 176.9 | 104.4 | -3.3 | 111 | G54 Q55 R60 Y61 Y62 N66 M94 | G54-R58 PolarHBondContact O-N 3.28Å; Q55-R58 WeakPolarHBondContact O-CB 3.49Å; Q55-R58 PolarHBondContact O-N 3Å; R58-R60 PolarHBondContact O-N 3.4Å; R58-Y61 PolarHBondContact O-N 2.95Å; R58-Y62 VanDerWaalsContact NH1-CG 3.32Å; R58-Y62 WeakPolarHBondContact O-CA 3.26Å; R58-Y62 WeakPolarHBondContact O-CB 3.29Å; R58-Y62 PolarHBondContact O-N 3.34Å; R58-N66 VanDerWaalsContact CZ-O 3.32Å; R58-N66 PolarHBondContact NH1-O 3.15Å; R58-N66 PolarHBondContact NH1-OD1 3.47Å; R58-N66 PolarHBondContact NH2-O 3.11Å; R58-N66 PolarHBondContact NH2-OD1 3.42Å; R58-M94 WeakPolarHBondContact CD-O 3.28Å |
| 59 | N | 97.7 | Very high | 97.6 | Very high | 128 Ų | 128 | 55.1 Ų | 55.1 | 68% | 0.684 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -35.4 | -176.2 | -70.4 | -21.8 | 0 | 0 | 0 | 111.6 | Q55 V56 L57 | Q55-N59 VanDerWaalsContact O-CG 3.25Å; Q55-N59 PolarHBondContact O-N 3.24Å; Q55-N59 PolarHBondContact O-ND2 3.14Å; V56-N59 PolarHBondContact O-N 3.27Å; L57-N59 PolarHBondContact O-N 2.87Å |
| 60 | R | 97.7 | Very high | 97.6 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 178.3 | -175.2 | 172.2 | -179.9 | 79.6 | 4.6 | 112.8 | V56 L57 R58 E288 W301 | V56-R60 WeakPolarHBondContact O-CB 3.33Å; V56-R60 PolarHBondContact O-N 3.29Å; L57-R60 PolarHBondContact O-N 3.34Å; R58-R60 PolarHBondContact O-N 3.4Å; R60-E288 IonicContact CZ-OE1 2.82Å; R60-E288 IonicContact CZ-OE2 2.72Å; R60-E288 IonicContact NE-OE1 2.78Å; R60-E288 PolarHBondContact NE-OE1 2.89Å; R60-E288 IonicContact NH2-OE1 2.88Å; R60-E288 PolarHBondContact NH2-OE1 3.33Å; R60-E288 IonicContact NH2-OE2 2.9Å; R60-E288 PolarHBondContact NH2-OE2 2.94Å; R60-W301 VanDerWaalsContact NH2-CE2 3.34Å |
| 61 | Y | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -107.9 | 4.5 | -170.6 | -57.6 | -55.6 | 0 | 0 | 0 | 114.3 | M1 T4 V6 L57 R58 D63 F64 L65 M94 M286 E288 | M1-Y61 HydrophobicContact CE-CD1 3.95Å; M1-Y61 HydrophobicContact CE-CE1 3.73Å; M1-Y61 HydrophobicContact SD-CD1 3.63Å; M1-Y61 HydrophobicContact SD-CE1 3.75Å; T4-Y61 HydrophobicContact CG2-CD1 4.12Å; T4-Y61 HydrophobicContact CG2-CD2 4.27Å; T4-Y61 HydrophobicContact CG2-CE1 4Å; T4-Y61 HydrophobicContact CG2-CE2 4.15Å; T4-Y61 HydrophobicContact CG2-CG 4.27Å; T4-Y61 PolarHBondContact OG1-OH 3.1Å; T4-Y61 VanDerWaalsContact OG1-OH 3.09Å; V6-Y61 HydrophobicContact CG2-CE2 4.21Å; L57-Y61 HydrophobicContact CB-CD2 4.32Å; L57-Y61 HydrophobicContact CB-CE2 4.47Å; L57-Y61 HydrophobicContact CD2-CE2 3.91Å; L57-Y61 WeakPolarHBondContact O-CD2 3.3Å; L57-Y61 PolarHBondContact O-N 2.77Å; R58-Y61 PolarHBondContact O-N 2.95Å; Y61-D63 VanDerWaalsContact C-N 3.32Å; Y61-D63 PolarHBondContact O-N 2.84Å; Y61-D63 VanDerWaalsContact O-N 3.15Å; Y61-F64 CarbonylContact O-C 3.57Å; Y61-F64 WeakPolarHBondContact O-CA 3.43Å; Y61-F64 PolarHBondContact O-N 3.39Å; Y61-L65 PolarHBondContact O-N 3.33Å; Y61-M94 HydrophobicContact CD2-CE 4.14Å; Y61-M286 WeakPolarHBondContact OH-CB 3.48Å; Y61-M286 WeakPolarHBondContact OH-CG 3.08Å; Y61-E288 HydrophobicContact CE1-CG 4.38Å; Y61-E288 WeakPolarHBondContact CE1-OE1 3.46Å; Y61-E288 VanDerWaalsContact CZ-OE1 3.32Å; Y61-E288 PolarHBondContact OH-OE1 3.12Å |
| 62 | Y | 97.5 | Very high | 97.6 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 45% | 0.447 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -50.3 | -171.2 | -177.6 | -77.3 | 0 | 0 | 0 | 113.8 | R58 F64 L65 | R58-Y62 VanDerWaalsContact NH1-CG 3.32Å; R58-Y62 WeakPolarHBondContact O-CA 3.26Å; R58-Y62 WeakPolarHBondContact O-CB 3.29Å; R58-Y62 PolarHBondContact O-N 3.34Å; Y62-F64 VanDerWaalsContact C-N 3.29Å; Y62-F64 PolarHBondContact O-N 3.28Å; Y62-L65 CarbonylContact O-C 3.59Å |
| 63 | D | 97.3 | Very high | 97.6 | Very high | 165 Ų | 165 | 60.8 Ų | 60.8 | 88% | 0.882 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25 | -176.2 | -65.5 | -30.4 | 0 | 0 | 0 | 112.9 | Y61 | Y61-D63 VanDerWaalsContact C-N 3.32Å; Y61-D63 PolarHBondContact O-N 2.84Å; Y61-D63 VanDerWaalsContact O-N 3.15Å |
| 64 | F | 97.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -36.8 | -179.3 | 170.2 | -113.9 | 0 | 0 | 0 | 112.3 | M1 L2 T4 Y61 Y62 K252 | M1-F64 HydrophobicContact CB-CD1 4.49Å; M1-F64 HydrophobicContact CB-CD2 4.01Å; M1-F64 HydrophobicContact CB-CE2 4.28Å; M1-F64 HydrophobicContact CB-CG 4.13Å; M1-F64 HydrophobicContact CG-CD1 4.08Å; M1-F64 HydrophobicContact CG-CD2 4.34Å; M1-F64 HydrophobicContact CG-CE1 4.07Å; M1-F64 HydrophobicContact CG-CE2 4.34Å; M1-F64 HydrophobicContact CG-CG 4.22Å; M1-F64 HydrophobicContact CG-CZ 4.2Å; M1-F64 WeakPolarHBondContact O-CD2 3.34Å; M1-F64 WeakPolarHBondContact O-CE2 3.3Å; M1-F64 HydrophobicContact SD-CB 4.46Å; M1-F64 HydrophobicContact SD-CD1 3.58Å; M1-F64 VanDerWaalsContact SD-CD1 3.58Å; M1-F64 HydrophobicContact SD-CE1 3.95Å; M1-F64 HydrophobicContact SD-CG 4Å; L2-F64 VanDerWaalsContact C-CZ 3.48Å; L2-F64 WeakPolarHBondContact O-CZ 3.42Å; T4-F64 HydrophobicContact CG2-CE1 4.18Å; Y61-F64 CarbonylContact O-C 3.57Å; Y61-F64 WeakPolarHBondContact O-CA 3.43Å; Y61-F64 PolarHBondContact O-N 3.39Å; Y62-F64 VanDerWaalsContact C-N 3.29Å; Y62-F64 PolarHBondContact O-N 3.28Å; F64-K252 HydrophobicContact CD2-CD 4.47Å; F64-K252 HydrophobicContact CE1-CB 3.7Å; F64-K252 HydrophobicContact CE1-CD 4.26Å; F64-K252 HydrophobicContact CE1-CG 4.2Å; F64-K252 WeakPolarHBondContact CE1-O 3.22Å; F64-K252 HydrophobicContact CE2-CB 4.45Å; F64-K252 HydrophobicContact CE2-CD 3.92Å; F64-K252 HydrophobicContact CE2-CG 4.06Å; F64-K252 HydrophobicContact CZ-CB 3.53Å; F64-K252 HydrophobicContact CZ-CD 3.8Å; F64-K252 HydrophobicContact CZ-CG 3.58Å; F64-K252 PolarHBondContact O-NZ 3Å |
| 65 | L | 97 | Very high | 97.7 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -143.2 | 94.9 | -173.3 | -175.3 | 63.3 | 0 | 0 | 0 | 109.1 | Y61 Y62 E72 V73 M94 F95 K252 F253 | Y61-L65 PolarHBondContact O-N 3.33Å; Y62-L65 CarbonylContact O-C 3.59Å; L65-E72 HydrophobicContact CD1-CB 4.31Å; L65-E72 WeakPolarHBondContact CD1-OE2 3.07Å; L65-V73 HydrophobicContact CD1-CG2 3.98Å; L65-V73 HydrophobicContact CD2-CG2 4.16Å; L65-M94 HydrophobicContact CD2-CE 3.78Å; L65-F95 HydrophobicContact CD1-CE1 4.39Å; L65-F95 HydrophobicContact CD2-CE1 4.18Å; L65-F95 HydrophobicContact CD2-CZ 3.9Å; L65-F95 HydrophobicContact CG-CE1 3.94Å; L65-F95 HydrophobicContact CG-CZ 4.2Å; L65-K252 HydrophobicContact CD1-CB 4.26Å; L65-K252 HydrophobicContact CD1-CD 4.16Å; L65-F253 HydrophobicContact CD2-CB 3.49Å; L65-F253 VanDerWaalsContact CD2-CB 3.49Å; L65-F253 HydrophobicContact CD2-CD2 4.24Å; L65-F253 HydrophobicContact CD2-CG 4.08Å | ||
| 66 | N | 93.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | trans | -94.7 | -56.3 | -171.1 | -175.3 | 35.7 | 0 | 0 | 0 | 113.1 | R58 | R58-N66 VanDerWaalsContact CZ-O 3.32Å; R58-N66 PolarHBondContact NH1-O 3.15Å; R58-N66 PolarHBondContact NH1-OD1 3.47Å; R58-N66 PolarHBondContact NH2-O 3.11Å; R58-N66 PolarHBondContact NH2-OD1 3.42Å | ||
| 67 | E | 94.9 | Very high | 97.7 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -110.1 | 157.4 | -178.8 | -68.3 | 174.8 | -165 | 0 | 0 | 109.9 | N69 | E67-N69 PolarHBondContact O-N 3.25Š|
| 68 | Y | 97.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | trans | -71.1 | 126.8 | 173.9 | 170.2 | -110 | 0 | 0 | 0 | 110.2 | P70 V73 I111 P112 | Y68-P70 HydrophobicContact CE1-CB 4.46Å; Y68-P70 WeakPolarHBondContact OH-CA 3.47Å; Y68-P70 WeakPolarHBondContact OH-CB 3.37Å; Y68-V73 HydrophobicContact CD2-CB 3.94Å; Y68-V73 HydrophobicContact CD2-CG1 4.15Å; Y68-V73 HydrophobicContact CD2-CG2 4.14Å; Y68-V73 HydrophobicContact CE2-CB 3.85Å; Y68-V73 HydrophobicContact CE2-CG1 4.09Å; Y68-I111 HydrophobicContact CD1-CD1 4.46Å; Y68-I111 HydrophobicContact CD1-CG1 4.08Å; Y68-I111 HydrophobicContact CD2-CD1 3.86Å; Y68-I111 HydrophobicContact CD2-CG1 3.98Å; Y68-I111 HydrophobicContact CD2-CG2 4.01Å; Y68-I111 HydrophobicContact CE1-CG1 4.28Å; Y68-I111 HydrophobicContact CE2-CB 4.46Å; Y68-I111 HydrophobicContact CE2-CD1 4.49Å; Y68-I111 HydrophobicContact CE2-CG1 4.2Å; Y68-I111 HydrophobicContact CE2-CG2 3.6Å; Y68-I111 HydrophobicContact CG-CD1 3.85Å; Y68-I111 HydrophobicContact CG-CG1 3.92Å; Y68-P112 VanDerWaalsContact OH-CD 3.32Å; Y68-P112 WeakPolarHBondContact OH-CD 3.3Å | ||
| 69 | N | 97.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | -128.7 | 125.4 | 167.6 | 178.3 | -16.1 | 0 | 0 | 0 | 108.7 | E67 E71 E72 V73 | E67-N69 PolarHBondContact O-N 3.25Å; N69-E71 PolarHBondContact O-N 2.87Å; N69-E71 VanDerWaalsContact O-N 3.17Å; N69-E71 WeakPolarHBondContact OD1-CB 3.45Å; N69-E71 PolarHBondContact OD1-N 3.21Å; N69-E72 HydrophobicContact CB-CB 4.06Å; N69-E72 HydrophobicContact CB-CG 3.79Å; N69-E72 PolarHBondContact O-N 2.97Å; N69-V73 PolarHBondContact O-N 2.84Å; N69-V73 VanDerWaalsContact O-N 3.07Å | ||
| 70 | P | 97.6 | Very high | 97.7 | Very high | 92 Ų | 92 | 59 Ų | 59 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.3 | 179.9 | 25.1 | -35.4 | 0 | 0 | 0 | 114.6 | Y68 | Y68-P70 HydrophobicContact CE1-CB 4.46Å; Y68-P70 WeakPolarHBondContact OH-CA 3.47Å; Y68-P70 WeakPolarHBondContact OH-CB 3.37Å |
| 71 | E | 98 | Very high | 97.7 | Very high | 136 Ų | 136 | 59.9 Ų | 59.9 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -20.2 | 174.5 | -59.5 | -173.2 | 156 | 0 | 0 | 112.9 | N69 A250 | N69-E71 PolarHBondContact O-N 2.87Å; N69-E71 VanDerWaalsContact O-N 3.17Å; N69-E71 WeakPolarHBondContact OD1-CB 3.45Å; N69-E71 PolarHBondContact OD1-N 3.21Å; E71-A250 HydrophobicContact CB-CB 3.94Å; E71-A250 CarbonylContact O-C 3.55Å |
| 72 | E | 98.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -26.3 | -175.7 | -58.6 | -168.6 | 162.7 | 0 | 0 | 112.7 | L65 N69 A250 K252 F253 | L65-E72 HydrophobicContact CD1-CB 4.31Å; L65-E72 WeakPolarHBondContact CD1-OE2 3.07Å; N69-E72 HydrophobicContact CB-CB 4.06Å; N69-E72 HydrophobicContact CB-CG 3.79Å; N69-E72 PolarHBondContact O-N 2.97Å; E72-A250 WeakPolarHBondContact CG-O 3.37Å; E72-K252 HydrophobicContact CB-CB 4.18Å; E72-K252 HydrophobicContact CB-CD 4.4Å; E72-K252 HydrophobicContact CB-CG 4.23Å; E72-K252 VanDerWaalsContact CD-CE 3.43Å; E72-K252 HydrophobicContact CG-CD 4.36Å; E72-K252 HydrophobicContact CG-CG 4.39Å; E72-K252 PolarHBondContact O-N 3.07Å; E72-K252 WeakPolarHBondContact OE1-CE 3.45Å; E72-K252 IonicContact OE1-NZ 3.66Å; E72-K252 PolarHBondContact OE1-NZ 3.36Å; E72-K252 WeakPolarHBondContact OE2-CD 3.43Å; E72-K252 WeakPolarHBondContact OE2-CE 3.39Å; E72-K252 IonicContact OE2-NZ 3.73Å; E72-K252 PolarHBondContact OE2-NZ 2.9Å; E72-F253 PolarHBondContact O-N 3.17Å |
| 73 | V | 98.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.6 | -168.4 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | L65 Y68 N69 V75 F95 F253 | L65-V73 HydrophobicContact CD1-CG2 3.98Å; L65-V73 HydrophobicContact CD2-CG2 4.16Å; Y68-V73 HydrophobicContact CD2-CB 3.94Å; Y68-V73 HydrophobicContact CD2-CG1 4.15Å; Y68-V73 HydrophobicContact CD2-CG2 4.14Å; Y68-V73 HydrophobicContact CE2-CB 3.85Å; Y68-V73 HydrophobicContact CE2-CG1 4.09Å; N69-V73 PolarHBondContact O-N 2.84Å; N69-V73 VanDerWaalsContact O-N 3.07Å; V73-V75 HydrophobicContact CG1-CG2 4.31Å; V73-F95 HydrophobicContact CG1-CE2 4.07Å; V73-F95 HydrophobicContact CG1-CZ 4.08Å; V73-F95 HydrophobicContact CG2-CE1 4.13Å; V73-F95 HydrophobicContact CG2-CE2 4.45Å; V73-F95 HydrophobicContact CG2-CZ 3.66Å; V73-F253 HydrophobicContact CG1-CD1 3.99Å; V73-F253 HydrophobicContact CG2-CB 4.37Å |
| 74 | Y | 98.8 | Very high | 97.8 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.5 | 170.7 | 176.1 | -87.4 | 0 | 0 | 0 | 110.5 | R76 H114 F253 F254 G255 | Y74-R76 HydrophobicContact CE1-CB 3.74Å; Y74-H114 AromaticContact CD2-CD2 3.78Å; Y74-H114 HydrophobicContact CE2-CB 4.5Å; Y74-H114 AromaticContact CE2-CD2 3.29Å; Y74-H114 WeakPolarHBondContact CE2-CD2 3.36Å; Y74-H114 AromaticContact CE2-CG 3.98Å; Y74-H114 AromaticContact CE2-NE2 3.84Å; Y74-H114 AromaticContact CZ-CD2 3.87Å; Y74-F253 PolarHBondContact N-O 2.72Å; Y74-F254 AromaticContact CD1-CD1 3.74Å; Y74-F254 HydrophobicContact CD1-CD1 3.74Å; Y74-F254 HydrophobicContact CD1-CE1 4.18Å; Y74-F254 HydrophobicContact CG-CD1 4.07Å; Y74-F254 HydrophobicContact CG-CE1 4.17Å; Y74-F254 CarbonylContact O-C 3.59Å; Y74-F254 WeakPolarHBondContact O-CA 3.32Å; Y74-G255 PolarHBondContact O-N 3.32Å |
| 75 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.8 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 111 | W8 V73 A87 L91 V113 H114 F253 G255 | W8-V75 HydrophobicContact CH2-CG1 4.26Å; W8-V75 HydrophobicContact CZ2-CG1 4.42Å; V73-V75 HydrophobicContact CG1-CG2 4.31Å; V75-A87 HydrophobicContact CG1-CB 4.21Å; V75-L91 HydrophobicContact CB-CD1 4.2Å; V75-L91 HydrophobicContact CG1-CD1 4.22Å; V75-L91 HydrophobicContact CG2-CD1 4.05Å; V75-L91 HydrophobicContact CG2-CD2 3.66Å; V75-L91 HydrophobicContact CG2-CG 4.24Å; V75-V113 HydrophobicContact CG1-CG1 4.39Å; V75-V113 HydrophobicContact CG1-CG2 4.19Å; V75-H114 PolarHBondContact O-CD2 3.44Å; V75-H114 PolarHBondContact O-N 3.39Å; V75-F253 HydrophobicContact CG2-CD1 4.43Å; V75-F253 HydrophobicContact CG2-CE1 4.01Å; V75-G255 CarbonylContact C-O 3.6Å; V75-G255 WeakPolarHBondContact CA-O 3.49Å |
| 76 | R | 98.8 | Very high | 97.9 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144 | 173.9 | -175 | -177.7 | 163.5 | -172.1 | -3.8 | 110.7 | Y74 H114 V116 D121 L124 G255 Y256 S257 | Y74-R76 HydrophobicContact CE1-CB 3.74Å; R76-H114 CarbonylContact C-O 3.49Å; R76-H114 VanDerWaalsContact CA-O 3.24Å; R76-H114 WeakPolarHBondContact CA-O 3.46Å; R76-H114 HydrophobicContact CG-CB 4.49Å; R76-H114 WeakPolarHBondContact CG-O 3.47Å; R76-V116 VanDerWaalsContact NH2-CG2 3.34Å; R76-D121 IonicContact CZ-OD1 2.68Å; R76-D121 IonicContact CZ-OD2 2.8Å; R76-D121 IonicContact NE-OD2 3.14Å; R76-D121 IonicContact NH2-OD1 3.12Å; R76-D121 PolarHBondContact NH2-OD1 3.43Å; R76-D121 IonicContact NH2-OD2 3.2Å; R76-D121 PolarHBondContact NH2-OD2 2.97Å; R76-L124 HydrophobicContact CB-CD1 4.1Å; R76-L124 HydrophobicContact CG-CD1 3.57Å; R76-G255 PolarHBondContact N-O 3.19Å; R76-Y256 HydrophobicContact CB-CD1 4.12Å; R76-Y256 HydrophobicContact CB-CE1 4.29Å; R76-Y256 VanDerWaalsContact O-CA 3.27Å; R76-Y256 WeakPolarHBondContact O-CA 3.25Å; R76-S257 PolarHBondContact O-N 3.39Å |
| 77 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.1 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 110 | T83 I84 H114 S115 S257 | S77-T83 WeakPolarHBondContact OG-CB 3.14Å; S77-T83 PolarHBondContact OG-O 3.24Å; S77-T83 PolarHBondContact OG-OG1 2.57Å; S77-I84 PolarHBondContact OG-N 3.31Å; S77-H114 PolarHBondContact N-O 3.45Å; S77-S115 WeakPolarHBondContact O-CA 3.23Å; S77-S115 WeakPolarHBondContact O-CB 3.29Å; S77-S257 WeakPolarHBondContact CA-O 3.32Å; S77-S257 PolarHBondContact OG-O 3.18Å |
| 78 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 152 | 161.2 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | K80 T83 L124 Y125 S257 H259 | T78-K80 VanDerWaalsContact C-N 3.25Å; T78-K80 PolarHBondContact O-N 3.05Å; T78-T83 PolarHBondContact O-OG1 3.41Å; T78-T83 WeakPolarHBondContact OG1-CG2 3.41Å; T78-T83 PolarHBondContact OG1-OG1 3.24Å; T78-L124 VanDerWaalsContact CG2-C 3.49Å; T78-L124 HydrophobicContact CG2-CB 3.52Å; T78-L124 WeakPolarHBondContact CG2-O 3.24Å; T78-Y125 HydrophobicContact CG2-CD2 4.27Å; T78-S257 PolarHBondContact N-O 3.03Å; T78-S257 VanDerWaalsContact N-O 3.1Å; T78-H259 PolarHBondContact OG1-NE2 3.01Å |
| 79 | N | 97.9 | Very high | 98.4 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -79.2 | 67.5 | -177.3 | -170.4 | 24 | 0 | 0 | 0 | 112.8 | V116 T118 | N79-V116 WeakPolarHBondContact CB-O 3.07Å; N79-T118 PolarHBondContact O-OG1 3.46Å |
| 80 | K | 97.3 | Very high | 98.4 | Very high | 53 Ų | 53 | 41 Ų | 41 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -128.9 | 143.3 | 170.1 | -64.5 | -70.2 | -173.7 | 168.5 | 0 | 109.2 | E40 T78 R82 T83 I84 | E40-K80 IonicContact OE2-NZ 2.83Å; T78-K80 VanDerWaalsContact C-N 3.25Å; T78-K80 PolarHBondContact O-N 3.05Å; K80-R82 VanDerWaalsContact C-N 3.28Å; K80-R82 HydrophobicContact CB-CG 4.3Å; K80-R82 PolarHBondContact O-N 2.92Å; K80-T83 HydrophobicContact CB-CG2 4.29Å; K80-T83 WeakPolarHBondContact CB-OG1 3.44Å; K80-T83 PolarHBondContact N-OG1 3.17Å; K80-T83 PolarHBondContact O-N 3.46Å; K80-T83 VanDerWaalsContact O-N 3.12Å; K80-T83 PolarHBondContact O-OG1 3.29Å; K80-I84 WeakPolarHBondContact O-CG1 3.16Å; K80-I84 PolarHBondContact O-N 3.34Å |
| 81 | N | 97.8 | Very high | 98.5 | Very high | 96 Ų | 96 | 37 Ų | 37 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -50.7 | -49.8 | 179.1 | -72.3 | -10.2 | 0 | 0 | 0 | 111.8 | E41 T83 I84 Q85 | E41-N81 PolarHBondContact OE1-ND2 2.94Å; E41-N81 WeakPolarHBondContact OE2-CB 3.3Å; N81-T83 PolarHBondContact O-N 2.79Å; N81-I84 PolarHBondContact O-N 3Å; N81-Q85 WeakPolarHBondContact O-CB 3.45Å; N81-Q85 VanDerWaalsContact O-CG 3.32Å; N81-Q85 WeakPolarHBondContact O-CG 3.43Å; N81-Q85 PolarHBondContact O-N 3.37Å |
| 82 | R | 97.5 | Very high | 98.5 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -35.8 | -179.2 | 67.5 | -178.3 | 171.9 | -83.1 | 7.4 | 114.5 | H10 E40 L42 K80 T86 | H10-R82 HydrophobicContact CB-CG 4.25Å; H10-R82 PolarHBondContact CD2-NE 2.98Å; H10-R82 PolarHBondContact NE2-NE 2.94Å; H10-R82 VanDerWaalsContact NE2-NE 3.13Å; E40-R82 WeakPolarHBondContact O-CD 3.41Å; E40-R82 PolarHBondContact O-NH1 3.24Å; E40-R82 IonicContact OE2-CZ 3.58Å; E40-R82 IonicContact OE2-NH1 3.51Å; E40-R82 PolarHBondContact OE2-NH1 3.17Å; E40-R82 IonicContact OE2-NH2 3.78Å; E40-R82 PolarHBondContact OE2-NH2 2.95Å; E40-R82 VanDerWaalsContact OE2-NH2 3.08Å; L42-R82 HydrophobicContact CD2-CB 3.91Å; L42-R82 HydrophobicContact CG-CB 3.87Å; K80-R82 VanDerWaalsContact C-N 3.28Å; K80-R82 HydrophobicContact CB-CG 4.3Å; K80-R82 PolarHBondContact O-N 2.92Å; R82-T86 VanDerWaalsContact O-CB 3.29Å; R82-T86 WeakPolarHBondContact O-CB 3.24Å; R82-T86 PolarHBondContact O-N 2.88Å; R82-T86 PolarHBondContact O-OG1 2.95Å |
| 83 | T | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -78.2 | -40.1 | -177.6 | 51.5 | 0 | 0 | 0 | 0 | 110 | H10 S77 T78 K80 N81 T86 A87 S257 | H10-T83 HydrophobicContact CB-CG2 3.81Å; S77-T83 WeakPolarHBondContact OG-CB 3.14Å; S77-T83 PolarHBondContact OG-O 3.24Å; S77-T83 PolarHBondContact OG-OG1 2.57Å; T78-T83 PolarHBondContact O-OG1 3.41Å; T78-T83 WeakPolarHBondContact OG1-CG2 3.41Å; T78-T83 PolarHBondContact OG1-OG1 3.24Å; K80-T83 HydrophobicContact CB-CG2 4.29Å; K80-T83 WeakPolarHBondContact CB-OG1 3.44Å; K80-T83 PolarHBondContact N-OG1 3.17Å; K80-T83 PolarHBondContact O-N 3.46Å; K80-T83 VanDerWaalsContact O-N 3.12Å; K80-T83 PolarHBondContact O-OG1 3.29Å; N81-T83 PolarHBondContact O-N 2.79Å; T83-T86 PolarHBondContact O-N 3.32Å; T83-A87 PolarHBondContact O-N 3.46Å; T83-S257 PolarHBondContact O-OG 3.18Å |
| 84 | I | 98.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 29.3 Ų | 29.3 | 24% | 0.236 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 175 | -64.8 | 169.1 | 0 | 0 | 0 | 110.3 | S77 K80 N81 T86 A87 L88 | S77-I84 PolarHBondContact OG-N 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.16Å; K80-I84 PolarHBondContact O-N 3.34Å; N81-I84 PolarHBondContact O-N 3Å; I84-T86 VanDerWaalsContact C-N 3.35Å; I84-T86 PolarHBondContact O-N 3.11Å; I84-A87 WeakPolarHBondContact O-CB 3.45Å; I84-A87 PolarHBondContact O-N 2.85Å; I84-L88 HydrophobicContact CG2-CD1 4.18Å; I84-L88 WeakPolarHBondContact O-CG 3.3Å; I84-L88 PolarHBondContact O-N 2.97Å |
| 85 | Q | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 25.4 Ų | 25.4 | 35% | 0.35 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 176.3 | -73.1 | 180 | 44.7 | 0 | 0 | 112 | L42 N81 A87 L88 L89 | L42-Q85 HydrophobicContact CD1-CB 3.63Å; N81-Q85 WeakPolarHBondContact O-CB 3.45Å; N81-Q85 VanDerWaalsContact O-CG 3.32Å; N81-Q85 WeakPolarHBondContact O-CG 3.43Å; N81-Q85 PolarHBondContact O-N 3.37Å; Q85-A87 VanDerWaalsContact C-N 3.34Å; Q85-A87 PolarHBondContact O-N 3.35Å; Q85-L88 PolarHBondContact O-N 2.76Å; Q85-L89 WeakPolarHBondContact O-CD1 3.4Å; Q85-L89 VanDerWaalsContact O-CG 3.28Å; Q85-L89 WeakPolarHBondContact O-CG 3.4Å; Q85-L89 PolarHBondContact O-N 2.84Å |
| 86 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 173.6 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | H10 G11 R82 T83 I84 L88 L89 C90 M282 | H10-T86 WeakPolarHBondContact CA-OG1 3.38Å; G11-T86 PolarHBondContact N-OG1 3.42Å; R82-T86 VanDerWaalsContact O-CB 3.29Å; R82-T86 WeakPolarHBondContact O-CB 3.24Å; R82-T86 PolarHBondContact O-N 2.88Å; R82-T86 PolarHBondContact O-OG1 2.95Å; T83-T86 PolarHBondContact O-N 3.32Å; I84-T86 VanDerWaalsContact C-N 3.35Å; I84-T86 PolarHBondContact O-N 3.11Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.98Å; T86-L89 PolarHBondContact O-N 3.03Å; T86-C90 PolarHBondContact O-N 3.35Å; T86-C90 PolarHBondContact O-SG 2.96Å; T86-C90 VanDerWaalsContact O-SG 3.39Å; T86-M282 HydrophobicContact CG2-CE 3.79Å; T86-M282 HydrophobicContact CG2-SD 3.68Å |
| 87 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W8 V75 T83 I84 Q85 L89 C90 L91 V113 | W8-A87 HydrophobicContact CZ2-CB 4.28Å; V75-A87 HydrophobicContact CG1-CB 4.21Å; T83-A87 PolarHBondContact O-N 3.46Å; I84-A87 WeakPolarHBondContact O-CB 3.45Å; I84-A87 PolarHBondContact O-N 2.85Å; Q85-A87 VanDerWaalsContact C-N 3.34Å; Q85-A87 PolarHBondContact O-N 3.35Å; A87-L89 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 3.44Å; A87-C90 PolarHBondContact O-N 3.21Å; A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 VanDerWaalsContact O-CG 3.28Å; A87-L91 WeakPolarHBondContact O-CG 3.48Å; A87-L91 PolarHBondContact O-N 3.41Å; A87-V113 HydrophobicContact CB-CG1 3.82Å; A87-V113 HydrophobicContact CB-CG2 3.9Å |
| 88 | L | 98.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 31 Ų | 31 | 35% | 0.351 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 177 | -67.7 | 169.2 | 0 | 0 | 0 | 112.2 | I84 Q85 T86 L91 A92 V113 | I84-L88 HydrophobicContact CG2-CD1 4.18Å; I84-L88 WeakPolarHBondContact O-CG 3.3Å; I84-L88 PolarHBondContact O-N 2.97Å; Q85-L88 PolarHBondContact O-N 2.76Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.98Å; L88-L91 PolarHBondContact O-N 3.04Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 2.9Å; L88-V113 HydrophobicContact CD2-CG2 3.77Å; L88-V113 HydrophobicContact CG-CG2 4.19Å |
| 89 | L | 98.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 33.1 Ų | 33.1 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -41.9 | 177.8 | -70 | 163.4 | 0 | 0 | 0 | 112.2 | L42 I47 Q85 T86 A87 L91 A92 G93 | L42-L89 HydrophobicContact CD1-CD1 4.26Å; I47-L89 HydrophobicContact CB-CD1 4.14Å; I47-L89 HydrophobicContact CG1-CD1 4.16Å; I47-L89 HydrophobicContact CG2-CD1 3.91Å; I47-L89 HydrophobicContact CG2-CD2 4Å; Q85-L89 WeakPolarHBondContact O-CD1 3.4Å; Q85-L89 VanDerWaalsContact O-CG 3.28Å; Q85-L89 WeakPolarHBondContact O-CG 3.4Å; Q85-L89 PolarHBondContact O-N 2.84Å; T86-L89 PolarHBondContact O-N 3.03Å; A87-L89 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 3.44Å; L89-L91 VanDerWaalsContact C-N 3.31Å; L89-L91 PolarHBondContact O-N 3.08Å; L89-A92 PolarHBondContact O-N 2.73Å; L89-G93 PolarHBondContact O-N 3.32Å |
| 90 | C | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 171.7 | -71.1 | 0 | 0 | 0 | 0 | 110.8 | W8 S50 G54 T86 A87 A92 G93 M94 | W8-C90 HydrophobicContact CZ2-CB 4.2Å; S50-C90 WeakPolarHBondContact O-CA 3.26Å; S50-C90 PolarHBondContact O-SG 2.78Å; G54-C90 WeakPolarHBondContact CA-O 3.43Å; T86-C90 PolarHBondContact O-N 3.35Å; T86-C90 PolarHBondContact O-SG 2.96Å; T86-C90 VanDerWaalsContact O-SG 3.39Å; A87-C90 PolarHBondContact O-N 3.21Å; C90-A92 PolarHBondContact O-N 2.93Å; C90-G93 PolarHBondContact O-N 3.4Å; C90-M94 WeakPolarHBondContact O-CB 3.39Å; C90-M94 PolarHBondContact O-N 2.92Å |
| 91 | L | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 178.2 | -74.1 | 168 | 0 | 0 | 0 | 112.2 | V75 A87 L88 L89 G93 M94 F95 I111 V113 | V75-L91 HydrophobicContact CB-CD1 4.2Å; V75-L91 HydrophobicContact CG1-CD1 4.22Å; V75-L91 HydrophobicContact CG2-CD1 4.05Å; V75-L91 HydrophobicContact CG2-CD2 3.66Å; V75-L91 HydrophobicContact CG2-CG 4.24Å; A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 VanDerWaalsContact O-CG 3.28Å; A87-L91 WeakPolarHBondContact O-CG 3.48Å; A87-L91 PolarHBondContact O-N 3.41Å; L88-L91 PolarHBondContact O-N 3.04Å; L89-L91 VanDerWaalsContact C-N 3.31Å; L89-L91 PolarHBondContact O-N 3.08Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 3.09Å; L91-M94 PolarHBondContact O-N 3.35Å; L91-F95 HydrophobicContact CD2-CD2 3.89Å; L91-F95 HydrophobicContact CD2-CE2 3.76Å; L91-F95 PolarHBondContact O-N 3.43Å; L91-I111 HydrophobicContact CB-CB 4.47Å; L91-I111 HydrophobicContact CB-CD1 4.31Å; L91-I111 HydrophobicContact CD1-CB 4.01Å; L91-I111 HydrophobicContact CD1-CG2 3.71Å; L91-I111 HydrophobicContact CD2-CD1 4.38Å; L91-I111 HydrophobicContact CD2-CG2 3.94Å; L91-I111 HydrophobicContact CG-CG2 4.31Å; L91-V113 HydrophobicContact CD1-CG2 3.51Å |
| 92 | A | 98.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y51 L88 L89 C90 | Y51-A92 HydrophobicContact CD2-CB 4.14Å; Y51-A92 HydrophobicContact CE2-CB 4.17Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 2.9Å; L89-A92 PolarHBondContact O-N 2.73Å; C90-A92 PolarHBondContact O-N 2.93Å |
| 93 | G | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.9 | -29.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G54 L89 C90 L91 | G54-G93 VanDerWaalsContact C-C 3.41Å; G54-G93 CarbonylContact C-O 3.44Å; G54-G93 CarbonylContact O-C 3.44Å; L89-G93 PolarHBondContact O-N 3.32Å; C90-G93 PolarHBondContact O-N 3.4Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 3.09Å |
| 94 | M | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -86.1 | -27.5 | -176.2 | -170.8 | 173.6 | 176.9 | 0 | 0 | 114.1 | G54 L57 R58 Y61 L65 C90 L91 P96 F253 | G54-M94 WeakPolarHBondContact O-CA 3.43Å; G54-M94 PolarHBondContact O-N 3.3Å; L57-M94 HydrophobicContact CB-CE 4.39Å; L57-M94 HydrophobicContact CB-CG 4.28Å; L57-M94 HydrophobicContact CB-SD 3.89Å; L57-M94 HydrophobicContact CD1-SD 4.26Å; R58-M94 WeakPolarHBondContact CD-O 3.28Å; Y61-M94 HydrophobicContact CD2-CE 4.14Å; L65-M94 HydrophobicContact CD2-CE 3.78Å; C90-M94 WeakPolarHBondContact O-CB 3.39Å; C90-M94 PolarHBondContact O-N 2.92Å; L91-M94 PolarHBondContact O-N 3.35Å; M94-P96 VanDerWaalsContact C-CD 3.42Å; M94-F253 HydrophobicContact CE-CD2 3.64Å; M94-F253 HydrophobicContact CE-CE2 3.6Å; M94-F253 HydrophobicContact CE-CG 4.28Å; M94-F253 HydrophobicContact CE-CZ 4.18Å; M94-F253 HydrophobicContact SD-CD2 4.34Å; M94-F253 HydrophobicContact SD-CE1 4.34Å; M94-F253 HydrophobicContact SD-CE2 3.78Å; M94-F253 HydrophobicContact SD-CZ 3.78Å |
| 95 | F | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -131.4 | 58.1 | -178.5 | -59.8 | -77.9 | 0 | 0 | 0 | 112.1 | L65 V73 L91 I97 Q109 I111 | L65-F95 HydrophobicContact CD1-CE1 4.39Å; L65-F95 HydrophobicContact CD2-CE1 4.18Å; L65-F95 HydrophobicContact CD2-CZ 3.9Å; L65-F95 HydrophobicContact CG-CE1 3.94Å; L65-F95 HydrophobicContact CG-CZ 4.2Å; V73-F95 HydrophobicContact CG1-CE2 4.07Å; V73-F95 HydrophobicContact CG1-CZ 4.08Å; V73-F95 HydrophobicContact CG2-CE1 4.13Å; V73-F95 HydrophobicContact CG2-CE2 4.45Å; V73-F95 HydrophobicContact CG2-CZ 3.66Å; L91-F95 HydrophobicContact CD2-CD2 3.89Å; L91-F95 HydrophobicContact CD2-CE2 3.76Å; L91-F95 PolarHBondContact O-N 3.43Å; F95-I97 PolarHBondContact O-N 2.68Å; F95-Q109 PolarHBondContact O-NE2 3.48Å; F95-Q109 VanDerWaalsContact O-NE2 3.07Å; F95-I111 HydrophobicContact CB-CD1 3.63Å; F95-I111 HydrophobicContact CD2-CD1 3.62Å; F95-I111 HydrophobicContact CG-CD1 3.85Å |
| 96 | P | 95.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | trans | -62.3 | 140.4 | 175.4 | 29.4 | -35 | 0 | 0 | 0 | 109.9 | M94 | M94-P96 VanDerWaalsContact C-CD 3.42Š| ||
| 97 | I | 95.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | trans | -119.1 | 151.5 | 172.4 | -172.1 | 165.6 | 0 | 0 | 0 | 108.4 | F95 D101 P107 Q109 | F95-I97 PolarHBondContact O-N 2.68Å; I97-D101 HydrophobicContact CD1-CB 3.96Å; I97-D101 HydrophobicContact CG1-CB 3.82Å; I97-P107 CarbonylContact O-C 3.56Å; I97-P107 WeakPolarHBondContact O-CA 3.45Å; I97-P107 WeakPolarHBondContact O-CB 3.36Å; I97-Q109 HydrophobicContact CG2-CB 4.17Å; I97-Q109 HydrophobicContact CG2-CG 4.45Å | ||
| 98 | S | 94.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | trans | -67.9 | 148.5 | 172.2 | 86.7 | 0 | 0 | 0 | 0 | 110 | S100 D101 S102 | S98-S100 PolarHBondContact O-N 2.91Å; S98-S100 PolarHBondContact OG-N 3.17Å; S98-S100 PolarHBondContact OG-OG 3.08Å; S98-D101 WeakPolarHBondContact CB-OD2 3.25Å; S98-D101 PolarHBondContact O-N 2.62Å; S98-D101 VanDerWaalsContact O-N 3.14Å; S98-D101 WeakPolarHBondContact OG-CB 3.13Å; S98-D101 PolarHBondContact OG-N 2.99Å; S98-D101 PolarHBondContact OG-OD2 2.84Å; S98-S102 PolarHBondContact O-N 2.72Å | ||
| 99 | A | 94.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G105 | A99-G105 WeakPolarHBondContact O-CA 2.87Š|
| 100 | S | 96.2 | Very high | 96 | Very high | 109 Ų | 109 | 55.4 Ų | 55.4 | 76% | 0.762 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -29.6 | 176 | 44.2 | 0 | 0 | 0 | 0 | 113.6 | S98 | S98-S100 PolarHBondContact O-N 2.91Å; S98-S100 PolarHBondContact OG-N 3.17Å; S98-S100 PolarHBondContact OG-OG 3.08Å |
| 101 | D | 93.6 | Very high | 95.9 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -16.4 | 179.3 | -55.6 | -37.8 | 0 | 0 | 0 | 112 | I97 S98 | I97-D101 HydrophobicContact CD1-CB 3.96Å; I97-D101 HydrophobicContact CG1-CB 3.82Å; S98-D101 WeakPolarHBondContact CB-OD2 3.25Å; S98-D101 PolarHBondContact O-N 2.62Å; S98-D101 VanDerWaalsContact O-N 3.14Å; S98-D101 WeakPolarHBondContact OG-CB 3.13Å; S98-D101 PolarHBondContact OG-N 2.99Å; S98-D101 PolarHBondContact OG-OD2 2.84Å |
| 102 | S | 94.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -76.2 | 128.4 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 112 | S98 I104 G105 L106 W108 | S98-S102 PolarHBondContact O-N 2.72Å; S102-I104 PolarHBondContact O-N 3.45Å; S102-I104 WeakPolarHBondContact OG-CG1 3.45Å; S102-G105 PolarHBondContact O-N 3.26Å; S102-L106 WeakPolarHBondContact CB-O 3.24Å; S102-L106 PolarHBondContact OG-O 3.06Å; S102-W108 PolarHBondContact OG-O 3.1Å |
| 103 | P | 93.7 | Very high | 96 | Very high | 133 Ų | 133 | 59.2 Ų | 59.2 | 86% | 0.864 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.6 | 177.1 | -26.4 | 35.1 | 0 | 0 | 0 | 115.1 | ||
| 104 | I | 95.5 | Very high | 96 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 3.5 | 179.4 | 65.3 | 169.2 | 0 | 0 | 0 | 113.2 | S102 L106 W108 | S102-I104 PolarHBondContact O-N 3.45Å; S102-I104 WeakPolarHBondContact OG-CG1 3.45Å; I104-L106 VanDerWaalsContact C-N 3.3Å; I104-L106 HydrophobicContact CD1-CB 4.16Å; I104-L106 HydrophobicContact CD1-CD1 3.9Å; I104-L106 HydrophobicContact CD1-CG 4.25Å; I104-L106 HydrophobicContact CG1-CB 4.12Å; I104-L106 HydrophobicContact CG1-CD1 4.48Å; I104-L106 HydrophobicContact CG1-CG 4.32Å; I104-L106 PolarHBondContact O-N 2.99Å; I104-W108 HydrophobicContact CD1-CE3 3.85Å; I104-W108 HydrophobicContact CD1-CZ3 4.08Å |
| 105 | G | 95.6 | Very high | 96 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 72.1 | 17.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A99 S102 | A99-G105 WeakPolarHBondContact O-CA 2.87Å; S102-G105 PolarHBondContact O-N 3.26Å |
| 106 | L | 95 | Very high | 95.9 | Very high | 97 Ų | 97 | 67.8 Ų | 67.8 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -114.9 | 149.7 | 177.6 | -64.3 | 179.7 | 0 | 0 | 0 | 110.2 | S102 I104 W108 | S102-L106 WeakPolarHBondContact CB-O 3.24Å; S102-L106 PolarHBondContact OG-O 3.06Å; I104-L106 VanDerWaalsContact C-N 3.3Å; I104-L106 HydrophobicContact CD1-CB 4.16Å; I104-L106 HydrophobicContact CD1-CD1 3.9Å; I104-L106 HydrophobicContact CD1-CG 4.25Å; I104-L106 HydrophobicContact CG1-CB 4.12Å; I104-L106 HydrophobicContact CG1-CD1 4.48Å; I104-L106 HydrophobicContact CG1-CG 4.32Å; I104-L106 PolarHBondContact O-N 2.99Å; L106-W108 PolarHBondContact O-N 3.29Å |
| 107 | P | 94.7 | Very high | 96 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -75.3 | 47.6 | 176.6 | 34.4 | -37.4 | 0 | 0 | 0 | 112 | I97 | I97-P107 CarbonylContact O-C 3.56Å; I97-P107 WeakPolarHBondContact O-CA 3.45Å; I97-P107 WeakPolarHBondContact O-CB 3.36Å |
| 108 | W | 95.1 | Very high | 96 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | trans | -153.4 | 150.7 | -173.9 | 177.9 | 86 | 0 | 0 | 0 | 109.3 | S102 I104 L106 A110 | S102-W108 PolarHBondContact OG-O 3.1Å; I104-W108 HydrophobicContact CD1-CE3 3.85Å; I104-W108 HydrophobicContact CD1-CZ3 4.08Å; L106-W108 PolarHBondContact O-N 3.29Å; W108-A110 VanDerWaalsContact CH2-CA 3.46Å; W108-A110 HydrophobicContact CH2-CB 3.59Å; W108-A110 HydrophobicContact CZ2-CB 4.32Å; W108-A110 HydrophobicContact CZ3-CB 4.01Å | ||
| 109 | Q | 95.7 | Very high | 96 | Very high | 48 Ų | 48 | 70.2 Ų | 70.2 | 22% | 0.224 | 42% | 0.421 | C | S | . | . | trans | -135.7 | 149 | 174.5 | 60.8 | -176.1 | -51.7 | 0 | 0 | 109.9 | F95 I97 I111 | F95-Q109 PolarHBondContact O-NE2 3.48Å; F95-Q109 VanDerWaalsContact O-NE2 3.07Å; I97-Q109 HydrophobicContact CG2-CB 4.17Å; I97-Q109 HydrophobicContact CG2-CG 4.45Å; Q109-I111 HydrophobicContact CG-CD1 4.16Å; Q109-I111 HydrophobicContact CG-CG1 4.1Å; Q109-I111 PolarHBondContact O-N 3.31Å | ||
| 110 | A | 95.6 | Very high | 96.1 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 61% | 0.612 | 43% | 0.425 | S | S | * | . | trans | -75.7 | 119.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | W108 | W108-A110 VanDerWaalsContact CH2-CA 3.46Å; W108-A110 HydrophobicContact CH2-CB 3.59Å; W108-A110 HydrophobicContact CZ2-CB 4.32Å; W108-A110 HydrophobicContact CZ3-CB 4.01Å | ||
| 111 | I | 98.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | trans | -116.6 | 129.5 | 174.4 | -63.6 | 173.1 | 0 | 0 | 0 | 108.2 | Y68 L91 F95 Q109 V113 | Y68-I111 HydrophobicContact CD1-CD1 4.46Å; Y68-I111 HydrophobicContact CD1-CG1 4.08Å; Y68-I111 HydrophobicContact CD2-CD1 3.86Å; Y68-I111 HydrophobicContact CD2-CG1 3.98Å; Y68-I111 HydrophobicContact CD2-CG2 4.01Å; Y68-I111 HydrophobicContact CE1-CG1 4.28Å; Y68-I111 HydrophobicContact CE2-CB 4.46Å; Y68-I111 HydrophobicContact CE2-CD1 4.49Å; Y68-I111 HydrophobicContact CE2-CG1 4.2Å; Y68-I111 HydrophobicContact CE2-CG2 3.6Å; Y68-I111 HydrophobicContact CG-CD1 3.85Å; Y68-I111 HydrophobicContact CG-CG1 3.92Å; L91-I111 HydrophobicContact CB-CB 4.47Å; L91-I111 HydrophobicContact CB-CD1 4.31Å; L91-I111 HydrophobicContact CD1-CB 4.01Å; L91-I111 HydrophobicContact CD1-CG2 3.71Å; L91-I111 HydrophobicContact CD2-CD1 4.38Å; L91-I111 HydrophobicContact CD2-CG2 3.94Å; L91-I111 HydrophobicContact CG-CG2 4.31Å; F95-I111 HydrophobicContact CB-CD1 3.63Å; F95-I111 HydrophobicContact CD2-CD1 3.62Å; F95-I111 HydrophobicContact CG-CD1 3.85Å; Q109-I111 HydrophobicContact CG-CD1 4.16Å; Q109-I111 HydrophobicContact CG-CG1 4.1Å; Q109-I111 PolarHBondContact O-N 3.31Å; I111-V113 PolarHBondContact O-N 2.72Å | ||
| 112 | P | 98.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 42% | 0.416 | 37% | 0.365 | S | S | . | . | trans | -60.9 | 133.1 | -179.3 | -23.8 | 34.4 | 0 | 0 | 0 | 112.8 | Y68 | Y68-P112 VanDerWaalsContact OH-CD 3.32Å; Y68-P112 WeakPolarHBondContact OH-CD 3.3Å | ||
| 113 | V | 98.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | trans | -117.6 | 116.7 | 166.6 | 176.5 | 0 | 0 | 0 | 0 | 107.3 | V75 A87 L88 L91 I111 | V75-V113 HydrophobicContact CG1-CG1 4.39Å; V75-V113 HydrophobicContact CG1-CG2 4.19Å; A87-V113 HydrophobicContact CB-CG1 3.82Å; A87-V113 HydrophobicContact CB-CG2 3.9Å; L88-V113 HydrophobicContact CD2-CG2 3.77Å; L88-V113 HydrophobicContact CG-CG2 4.19Å; L91-V113 HydrophobicContact CD1-CG2 3.51Å; I111-V113 PolarHBondContact O-N 2.72Å | ||
| 114 | H | 98.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 56.9 Ų | 56.9 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 154.4 | 179.9 | -59.3 | -75 | 0 | 0 | 0 | 111.1 | Y74 V75 R76 S77 | Y74-H114 AromaticContact CD2-CD2 3.78Å; Y74-H114 HydrophobicContact CE2-CB 4.5Å; Y74-H114 AromaticContact CE2-CD2 3.29Å; Y74-H114 WeakPolarHBondContact CE2-CD2 3.36Å; Y74-H114 AromaticContact CE2-CG 3.98Å; Y74-H114 AromaticContact CE2-NE2 3.84Å; Y74-H114 AromaticContact CZ-CD2 3.87Å; V75-H114 PolarHBondContact O-CD2 3.44Å; V75-H114 PolarHBondContact O-N 3.39Å; R76-H114 CarbonylContact C-O 3.49Å; R76-H114 VanDerWaalsContact CA-O 3.24Å; R76-H114 WeakPolarHBondContact CA-O 3.46Å; R76-H114 HydrophobicContact CG-CB 4.49Å; R76-H114 WeakPolarHBondContact CG-O 3.47Å; S77-H114 PolarHBondContact N-O 3.45Å |
| 115 | S | 98.2 | Very high | 96.6 | Very high | 58 Ų | 58 | 54 Ų | 54 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 155.7 | 172.7 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | S77 | S77-S115 WeakPolarHBondContact O-CA 3.23Å; S77-S115 WeakPolarHBondContact O-CB 3.29Å |
| 116 | V | 96.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 52 Ų | 52 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.7 | 169.8 | 174.8 | 0 | 0 | 0 | 0 | 107.4 | R76 N79 T118 L120 D121 | R76-V116 VanDerWaalsContact NH2-CG2 3.34Å; N79-V116 WeakPolarHBondContact CB-O 3.07Å; V116-T118 PolarHBondContact O-N 3.26Å; V116-L120 HydrophobicContact CG1-CB 3.86Å; V116-D121 HydrophobicContact CB-CB 4.3Å; V116-D121 HydrophobicContact CG1-CB 4.32Å |
| 117 | P | 97.7 | Very high | 96.4 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | trans | -49.7 | 135.8 | 172.5 | -27.4 | 35.5 | 0 | 0 | 0 | 111.5 | E119 L120 D121 | P117-E119 WeakPolarHBondContact CB-OE1 3.19Å; P117-E119 PolarHBondContact O-N 3.46Å; P117-E119 VanDerWaalsContact O-N 3.17Å; P117-L120 HydrophobicContact CB-CD1 4.42Å; P117-L120 HydrophobicContact CB-CG 4.47Å; P117-L120 HydrophobicContact CG-CD1 4.4Å; P117-L120 PolarHBondContact O-N 3.11Å; P117-D121 PolarHBondContact O-N 2.85Å | ||
| 118 | T | 95.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -55.5 | -39.6 | -169.6 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | N79 V116 L120 D121 Y125 L128 | N79-T118 PolarHBondContact O-OG1 3.46Å; V116-T118 PolarHBondContact O-N 3.26Å; T118-L120 PolarHBondContact O-N 3.17Å; T118-D121 PolarHBondContact O-N 3.06Å; T118-Y125 HydrophobicContact CG2-CD1 3.41Å; T118-Y125 VanDerWaalsContact CG2-CD1 3.41Å; T118-Y125 HydrophobicContact CG2-CD2 4.08Å; T118-Y125 HydrophobicContact CG2-CE1 3.41Å; T118-Y125 VanDerWaalsContact CG2-CE1 3.41Å; T118-Y125 HydrophobicContact CG2-CE2 4.07Å; T118-Y125 HydrophobicContact CG2-CG 3.75Å; T118-L128 WeakPolarHBondContact O-CD1 3.39Å |
| 119 | E | 94.7 | Very high | 96.4 | Very high | 121 Ų | 121 | 49 Ų | 49 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -67.9 | -14.7 | 179.7 | 69.8 | -76.2 | -177 | 0 | 0 | 114.3 | P117 | P117-E119 WeakPolarHBondContact CB-OE1 3.19Å; P117-E119 PolarHBondContact O-N 3.46Å; P117-E119 VanDerWaalsContact O-N 3.17Å |
| 120 | L | 95.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -108.2 | -5.5 | 176.3 | -57.5 | -178.9 | 0 | 0 | 0 | 112.5 | V116 P117 T118 S122 | V116-L120 HydrophobicContact CG1-CB 3.86Å; P117-L120 HydrophobicContact CB-CD1 4.42Å; P117-L120 HydrophobicContact CB-CG 4.47Å; P117-L120 HydrophobicContact CG-CD1 4.4Å; P117-L120 PolarHBondContact O-N 3.11Å; T118-L120 PolarHBondContact O-N 3.17Å; L120-S122 PolarHBondContact O-N 3.35Å |
| 121 | D | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -93.3 | 67.8 | -172.1 | -162 | -14.7 | 0 | 0 | 0 | 112.8 | R76 V116 P117 T118 V123 L124 Y125 | R76-D121 IonicContact CZ-OD1 2.68Å; R76-D121 IonicContact CZ-OD2 2.8Å; R76-D121 IonicContact NE-OD2 3.14Å; R76-D121 IonicContact NH2-OD1 3.12Å; R76-D121 PolarHBondContact NH2-OD1 3.43Å; R76-D121 IonicContact NH2-OD2 3.2Å; R76-D121 PolarHBondContact NH2-OD2 2.97Å; V116-D121 HydrophobicContact CB-CB 4.3Å; V116-D121 HydrophobicContact CG1-CB 4.32Å; P117-D121 PolarHBondContact O-N 2.85Å; T118-D121 PolarHBondContact O-N 3.06Å; D121-V123 PolarHBondContact O-N 3.3Å; D121-V123 PolarHBondContact OD1-N 2.75Å; D121-L124 PolarHBondContact OD1-N 3.44Å; D121-Y125 WeakPolarHBondContact O-CA 3.33Å; D121-Y125 VanDerWaalsContact O-CB 3.27Å; D121-Y125 WeakPolarHBondContact O-CB 3.49Å; D121-Y125 PolarHBondContact O-N 3.04Å; D121-Y125 VanDerWaalsContact O-N 3.1Å | ||
| 122 | S | 94.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 12% | 0.119 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.7 | 176.1 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | L120 Q231 | L120-S122 PolarHBondContact O-N 3.35Å; S122-Q231 PolarHBondContact O-OE1 2.56Å; S122-Q231 PolarHBondContact OG-OE1 3.49Å |
| 123 | V | 96.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 45.6 Ų | 45.6 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -55.3 | -176.8 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | D121 Q231 L232 L235 | D121-V123 PolarHBondContact O-N 3.3Å; D121-V123 PolarHBondContact OD1-N 2.75Å; V123-Q231 HydrophobicContact CG2-CB 4.34Å; V123-L232 HydrophobicContact CG1-CB 4.27Å; V123-L232 HydrophobicContact CG1-CD1 4.37Å; V123-L235 HydrophobicContact CG1-CB 4.44Å; V123-L235 HydrophobicContact CG1-CD2 3.89Å |
| 124 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -27.6 | -174.8 | -59.1 | -171.4 | 0 | 0 | 0 | 113.1 | R76 T78 D121 V126 L232 Y256 T258 T262 | R76-L124 HydrophobicContact CB-CD1 4.1Å; R76-L124 HydrophobicContact CG-CD1 3.57Å; T78-L124 VanDerWaalsContact CG2-C 3.49Å; T78-L124 HydrophobicContact CG2-CB 3.52Å; T78-L124 WeakPolarHBondContact CG2-O 3.24Å; D121-L124 PolarHBondContact OD1-N 3.44Å; L124-V126 PolarHBondContact O-N 3.42Å; L124-L232 HydrophobicContact CD2-CD1 3.65Å; L124-L232 HydrophobicContact CD2-CD2 4.18Å; L124-L232 HydrophobicContact CD2-CG 4.44Å; L124-Y256 HydrophobicContact CD1-CD1 3.99Å; L124-Y256 HydrophobicContact CD2-CD1 3.82Å; L124-Y256 HydrophobicContact CD2-CG 4.17Å; L124-T258 HydrophobicContact CB-CG2 4.2Å; L124-T258 HydrophobicContact CD2-CG2 4.21Å; L124-T262 PolarHBondContact O-OG1 2.97Å |
| 125 | Y | 97.5 | Very high | 96.1 | Very high | 44 Ų | 44 | 42.9 Ų | 42.9 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | trans | -95.8 | 73.3 | -179.2 | -166.4 | -107.2 | 0 | 0 | 0 | 110.9 | T78 T118 D121 P127 L128 H259 | T78-Y125 HydrophobicContact CG2-CD2 4.27Å; T118-Y125 HydrophobicContact CG2-CD1 3.41Å; T118-Y125 VanDerWaalsContact CG2-CD1 3.41Å; T118-Y125 HydrophobicContact CG2-CD2 4.08Å; T118-Y125 HydrophobicContact CG2-CE1 3.41Å; T118-Y125 VanDerWaalsContact CG2-CE1 3.41Å; T118-Y125 HydrophobicContact CG2-CE2 4.07Å; T118-Y125 HydrophobicContact CG2-CG 3.75Å; D121-Y125 WeakPolarHBondContact O-CA 3.33Å; D121-Y125 VanDerWaalsContact O-CB 3.27Å; D121-Y125 WeakPolarHBondContact O-CB 3.49Å; D121-Y125 PolarHBondContact O-N 3.04Å; D121-Y125 VanDerWaalsContact O-N 3.1Å; Y125-P127 VanDerWaalsContact C-N 3.26Å; Y125-P127 HydrophobicContact CD1-CB 4.43Å; Y125-P127 HydrophobicContact CD2-CG 4.43Å; Y125-P127 HydrophobicContact CE1-CB 3.87Å; Y125-P127 HydrophobicContact CE1-CG 4.32Å; Y125-P127 HydrophobicContact CE2-CB 4.44Å; Y125-P127 HydrophobicContact CE2-CG 4.07Å; Y125-P127 VanDerWaalsContact O-N 3.13Å; Y125-L128 HydrophobicContact CD1-CB 4.11Å; Y125-L128 VanDerWaalsContact O-CB 3.28Å; Y125-L128 WeakPolarHBondContact O-CB 3.37Å; Y125-L128 PolarHBondContact O-N 3.02Å; Y125-H259 AromaticContact CD2-CD2 3.96Å; Y125-H259 AromaticContact CD2-NE2 3.68Å; Y125-H259 AromaticContact CE2-NE2 3.82Å | ||
| 126 | V | 94.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -31.8 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 114.8 | L124 L128 Y219 R228 V261 T262 | L124-V126 PolarHBondContact O-N 3.42Å; V126-L128 PolarHBondContact O-N 2.9Å; V126-L128 VanDerWaalsContact O-N 3.11Å; V126-Y219 HydrophobicContact CG1-CE1 3.71Å; V126-R228 HydrophobicContact CG1-CB 3.96Å; V126-R228 HydrophobicContact CG1-CG 4.47Å; V126-R228 WeakPolarHBondContact O-CD 3.48Å; V126-R228 PolarHBondContact O-NH1 3.2Å; V126-V261 HydrophobicContact CB-CG2 4.45Å; V126-T262 HydrophobicContact CG2-CG2 3.98Å |
| 127 | P | 92.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 0.8 | 172.7 | -18.3 | 28 | 0 | 0 | 0 | 116.4 | Y125 K129 V261 | Y125-P127 VanDerWaalsContact C-N 3.26Å; Y125-P127 HydrophobicContact CD1-CB 4.43Å; Y125-P127 HydrophobicContact CD2-CG 4.43Å; Y125-P127 HydrophobicContact CE1-CB 3.87Å; Y125-P127 HydrophobicContact CE1-CG 4.32Å; Y125-P127 HydrophobicContact CE2-CB 4.44Å; Y125-P127 HydrophobicContact CE2-CG 4.07Å; Y125-P127 VanDerWaalsContact O-N 3.13Å; P127-K129 PolarHBondContact O-N 3.44Å; P127-V261 HydrophobicContact CG-CG2 3.68Å |
| 128 | L | 94.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | trans | -52.8 | 134.8 | -177.1 | -172.7 | 60.2 | 0 | 0 | 0 | 111.4 | T118 Y125 V126 C130 R228 W340 F341 | T118-L128 WeakPolarHBondContact O-CD1 3.39Å; Y125-L128 HydrophobicContact CD1-CB 4.11Å; Y125-L128 VanDerWaalsContact O-CB 3.28Å; Y125-L128 WeakPolarHBondContact O-CB 3.37Å; Y125-L128 PolarHBondContact O-N 3.02Å; V126-L128 PolarHBondContact O-N 2.9Å; V126-L128 VanDerWaalsContact O-N 3.11Å; L128-C130 PolarHBondContact O-N 2.83Å; L128-R228 PolarHBondContact O-NH1 3.39Å; L128-R228 PolarHBondContact O-NH2 3.47Å; L128-R228 VanDerWaalsContact O-NH2 3.11Å; L128-W340 HydrophobicContact CB-CH2 3.91Å; L128-W340 HydrophobicContact CB-CZ2 4.2Å; L128-W340 HydrophobicContact CD2-CE3 4.32Å; L128-W340 HydrophobicContact CD2-CH2 3.59Å; L128-W340 HydrophobicContact CD2-CZ2 4.28Å; L128-W340 HydrophobicContact CD2-CZ3 3.6Å; L128-W340 HydrophobicContact CG-CH2 3.58Å; L128-W340 HydrophobicContact CG-CZ2 4.34Å; L128-W340 HydrophobicContact CG-CZ3 4.02Å; L128-F341 HydrophobicContact CD2-CE1 4.17Å; L128-F341 HydrophobicContact CD2-CZ 4.38Å | ||
| 129 | K | 94.7 | Very high | 96.1 | Very high | 157 Ų | 157 | 44.9 Ų | 44.9 | 68% | 0.683 | 23% | 0.226 | S | C | * | . | trans | -60.4 | 127.5 | -173.7 | -174.7 | 177.8 | -179 | 177.9 | 0 | 111.4 | P127 W340 | P127-K129 PolarHBondContact O-N 3.44Å; K129-W340 WeakPolarHBondContact O-CH2 3.28Å | ||
| 130 | C | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -136 | 90.8 | -179.1 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | L128 Y132 A133 D134 W340 C344 | L128-C130 PolarHBondContact O-N 2.83Å; C130-Y132 PolarHBondContact O-N 3.45Å; C130-A133 HydrophobicContact CB-CB 4.06Å; C130-A133 PolarHBondContact O-N 3.28Å; C130-D134 PolarHBondContact N-OD2 3.48Å; C130-D134 WeakPolarHBondContact O-CB 3.47Å; C130-D134 PolarHBondContact O-N 3.38Å; C130-W340 HydrophobicContact CB-CH2 4Å; C130-W340 HydrophobicContact CB-CZ2 3.88Å; C130-C344 HydrophobicContact CB-CB 3.86Å; C130-C344 WeakPolarHBondContact CB-SG 3.41Å; C130-C344 WeakPolarHBondContact SG-CA 3.31Å; C130-C344 WeakPolarHBondContact SG-CB 3.43Å; C130-C344 CovalentContact SG-SG 2.03Å; C130-C344 PolarHBondContact SG-SG 2.74Å | ||
| 131 | P | 96.9 | Very high | 96.4 | Very high | 57 Ų | 57 | 40 Ų | 40 | 37% | 0.37 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -52 | -35.2 | -174.4 | -30.7 | 36.6 | 0 | 0 | 0 | 114.8 | G135 C344 | P131-G135 PolarHBondContact O-N 3.26Å; P131-C344 WeakPolarHBondContact CD-O 3.33Å |
| 132 | Y | 96.6 | Very high | 96.5 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -54.6 | 173.6 | 176 | -97.5 | 0 | 0 | 0 | 113 | C130 G135 I136 L227 R343 C344 P346 | C130-Y132 PolarHBondContact O-N 3.45Å; Y132-G135 PolarHBondContact O-N 3.03Å; Y132-I136 HydrophobicContact CD1-CD1 4.16Å; Y132-I136 HydrophobicContact CE1-CD1 3.44Å; Y132-I136 VanDerWaalsContact CE1-CD1 3.44Å; Y132-I136 HydrophobicContact CE2-CD1 4.22Å; Y132-I136 VanDerWaalsContact CZ-CD1 3.47Å; Y132-I136 PolarHBondContact O-N 2.97Å; Y132-L227 HydrophobicContact CD1-CD1 3.75Å; Y132-L227 HydrophobicContact CE1-CD1 4.26Å; Y132-R343 VanDerWaalsContact CD2-NH1 3.32Å; Y132-R343 VanDerWaalsContact CG-NH1 3.33Å; Y132-R343 VanDerWaalsContact CZ-CZ 3.49Å; Y132-R343 PolarHBondContact OH-NH2 3.37Å; Y132-C344 PolarHBondContact N-O 3.01Å; Y132-C344 VanDerWaalsContact N-O 3.14Å; Y132-P346 HydrophobicContact CD2-CG 4.35Å |
| 133 | A | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C130 G135 I136 Y137 I224 L227 | C130-A133 HydrophobicContact CB-CB 4.06Å; C130-A133 PolarHBondContact O-N 3.28Å; A133-G135 VanDerWaalsContact C-N 3.28Å; A133-G135 PolarHBondContact O-N 3.24Å; A133-I136 PolarHBondContact O-N 2.93Å; A133-Y137 PolarHBondContact O-N 3.44Å; A133-I224 HydrophobicContact CB-CG1 4.15Å; A133-I224 HydrophobicContact CB-CG2 4.17Å; A133-L227 HydrophobicContact CB-CD1 4.18Å |
| 134 | D | 96 | Very high | 96.7 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.7 | -58.1 | -18.1 | 0 | 0 | 0 | 110.3 | C130 Y137 W138 Y218 R228 | C130-D134 PolarHBondContact N-OD2 3.48Å; C130-D134 WeakPolarHBondContact O-CB 3.47Å; C130-D134 PolarHBondContact O-N 3.38Å; D134-Y137 PolarHBondContact O-N 2.63Å; D134-W138 WeakPolarHBondContact O-CB 3.42Å; D134-W138 PolarHBondContact O-N 3.37Å; D134-Y218 PolarHBondContact OD1-OH 3.26Å; D134-R228 IonicContact OD1-NH2 2.73Å |
| 135 | G | 97.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P131 Y132 A133 N139 | P131-G135 PolarHBondContact O-N 3.26Å; Y132-G135 PolarHBondContact O-N 3.03Å; A133-G135 VanDerWaalsContact C-N 3.28Å; A133-G135 PolarHBondContact O-N 3.24Å; G135-N139 WeakPolarHBondContact O-CB 3.36Å; G135-N139 PolarHBondContact O-N 3.45Å; G135-N139 VanDerWaalsContact O-N 3.08Å; G135-N139 PolarHBondContact O-ND2 3.13Å |
| 136 | I | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 174.6 | -69 | 167.1 | 0 | 0 | 0 | 110.2 | Y132 A133 E140 I141 R223 I224 | Y132-I136 HydrophobicContact CD1-CD1 4.16Å; Y132-I136 HydrophobicContact CE1-CD1 3.44Å; Y132-I136 VanDerWaalsContact CE1-CD1 3.44Å; Y132-I136 HydrophobicContact CE2-CD1 4.22Å; Y132-I136 VanDerWaalsContact CZ-CD1 3.47Å; Y132-I136 PolarHBondContact O-N 2.97Å; A133-I136 PolarHBondContact O-N 2.93Å; I136-E140 WeakPolarHBondContact O-CA 3.42Å; I136-E140 VanDerWaalsContact O-CB 3.27Å; I136-E140 WeakPolarHBondContact O-CB 3.32Å; I136-E140 PolarHBondContact O-N 3.4Å; I136-I141 HydrophobicContact CG2-CD1 4.01Å; I136-I141 HydrophobicContact CG2-CG1 4.17Å; I136-I141 PolarHBondContact O-N 2.95Å; I136-R223 HydrophobicContact CD1-CB 3.72Å; I136-R223 VanDerWaalsContact CG2-NH2 3.27Å; I136-I224 HydrophobicContact CB-CD1 4.19Å; I136-I224 HydrophobicContact CB-CG1 4.4Å; I136-I224 HydrophobicContact CD1-CG1 4.48Å; I136-I224 HydrophobicContact CG2-CD1 3.92Å; I136-I224 HydrophobicContact CG2-CG1 4.24Å |
| 137 | Y | 97.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -61.1 | -51.9 | -175.7 | -177.5 | -121.7 | 0 | 0 | 0 | 112.9 | A133 D134 I141 M142 D173 S214 Y218 | A133-Y137 PolarHBondContact O-N 3.44Å; D134-Y137 PolarHBondContact O-N 2.63Å; Y137-I141 HydrophobicContact CD2-CB 3.94Å; Y137-I141 HydrophobicContact CD2-CD1 4.08Å; Y137-I141 HydrophobicContact CD2-CG2 4.01Å; Y137-I141 HydrophobicContact CE2-CG2 4.21Å; Y137-I141 PolarHBondContact O-N 2.94Å; Y137-M142 HydrophobicContact CD1-CG 4.33Å; Y137-M142 HydrophobicContact CD2-CE 4.17Å; Y137-M142 HydrophobicContact CD2-CG 4.36Å; Y137-M142 HydrophobicContact CE1-CG 4.03Å; Y137-M142 HydrophobicContact CE1-SD 4.34Å; Y137-M142 HydrophobicContact CE2-CE 3.35Å; Y137-M142 HydrophobicContact CE2-CG 4.12Å; Y137-M142 HydrophobicContact CE2-SD 4.12Å; Y137-M142 PolarHBondContact O-N 3.32Å; Y137-D173 HydrophobicContact CE1-CB 4.12Å; Y137-D173 VanDerWaalsContact OH-CB 3.29Å; Y137-D173 WeakPolarHBondContact OH-CB 3.44Å; Y137-D173 PolarHBondContact OH-OD1 3.38Å; Y137-D173 VanDerWaalsContact OH-OD1 3.06Å; Y137-S214 PolarHBondContact OH-OG 2.83Å; Y137-Y218 HydrophobicContact CD1-CD2 4.07Å; Y137-Y218 HydrophobicContact CD1-CE2 4.24Å; Y137-Y218 AromaticContact CD2-CD2 3.32Å; Y137-Y218 HydrophobicContact CD2-CD2 3.32Å; Y137-Y218 HydrophobicContact CD2-CE2 4.14Å; Y137-Y218 HydrophobicContact CD2-CG 4.14Å; Y137-Y218 AromaticContact CE2-CD2 3.8Å; Y137-Y218 HydrophobicContact CE2-CD2 3.8Å; Y137-Y218 HydrophobicContact CE2-CG 4.19Å; Y137-Y218 AromaticContact CG-CD2 3.43Å; Y137-Y218 HydrophobicContact CG-CD2 3.43Å; Y137-Y218 VanDerWaalsContact CG-CD2 3.43Å; Y137-Y218 AromaticContact CG-CE2 3.76Å; Y137-Y218 HydrophobicContact CG-CE2 3.76Å |
| 138 | W | 97.2 | Very high | 97.1 | Very high | 106 Ų | 106 | 51.6 Ų | 51.6 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -76.6 | -33 | -174.8 | -66.9 | 118.5 | 0 | 0 | 0 | 113.5 | D134 M142 K143 T171 D173 | D134-W138 WeakPolarHBondContact O-CB 3.42Å; D134-W138 PolarHBondContact O-N 3.37Å; W138-M142 HydrophobicContact CE3-CB 4.44Å; W138-M142 HydrophobicContact CE3-CG 3.89Å; W138-M142 HydrophobicContact CZ3-CG 4.03Å; W138-K143 WeakPolarHBondContact O-CE 3.37Å; W138-T171 HydrophobicContact CZ3-CG2 4.15Å; W138-D173 HydrophobicContact CH2-CB 3.82Å; W138-D173 VanDerWaalsContact CH2-OD2 3.24Å; W138-D173 WeakPolarHBondContact CH2-OD2 3.24Å; W138-D173 HydrophobicContact CZ3-CB 4.1Å |
| 139 | N | 97.2 | Very high | 97.3 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -93.4 | -21.5 | -175.5 | -61.2 | -55.6 | 0 | 0 | 0 | 113.9 | G135 | G135-N139 WeakPolarHBondContact O-CB 3.36Å; G135-N139 PolarHBondContact O-N 3.45Å; G135-N139 VanDerWaalsContact O-N 3.08Å; G135-N139 PolarHBondContact O-ND2 3.13Å |
| 140 | E | 98 | Very high | 97.4 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -120.9 | -57.9 | -176.2 | -53 | 179.4 | -145.5 | 0 | 0 | 111.7 | I136 K143 S144 R223 | I136-E140 WeakPolarHBondContact O-CA 3.42Å; I136-E140 VanDerWaalsContact O-CB 3.27Å; I136-E140 WeakPolarHBondContact O-CB 3.32Å; I136-E140 PolarHBondContact O-N 3.4Å; E140-K143 CarbonylContact O-C 3.58Å; E140-K143 PolarHBondContact O-N 3.21Å; E140-S144 PolarHBondContact O-N 3.44Å; E140-R223 IonicContact OE1-NH1 2.71Å; E140-R223 IonicContact OE2-CZ 3.8Å; E140-R223 IonicContact OE2-NH1 3.76Å; E140-R223 PolarHBondContact OE2-NH1 3.39Å; E140-R223 IonicContact OE2-NH2 2.98Å; E140-R223 PolarHBondContact OE2-NH2 3.08Å |
| 141 | I | 98 | Very high | 97.5 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -66.4 | -53.1 | -171.3 | -59.4 | 177.4 | 0 | 0 | 0 | 110.9 | I136 Y137 K143 S144 V147 F217 D221 I224 | I136-I141 HydrophobicContact CG2-CD1 4.01Å; I136-I141 HydrophobicContact CG2-CG1 4.17Å; I136-I141 PolarHBondContact O-N 2.95Å; Y137-I141 HydrophobicContact CD2-CB 3.94Å; Y137-I141 HydrophobicContact CD2-CD1 4.08Å; Y137-I141 HydrophobicContact CD2-CG2 4.01Å; Y137-I141 HydrophobicContact CE2-CG2 4.21Å; Y137-I141 PolarHBondContact O-N 2.94Å; I141-K143 PolarHBondContact O-N 3.46Å; I141-K143 VanDerWaalsContact O-N 3.1Å; I141-S144 VanDerWaalsContact O-CB 3.24Å; I141-S144 WeakPolarHBondContact O-CB 3.39Å; I141-S144 PolarHBondContact O-N 3.28Å; I141-S144 PolarHBondContact O-OG 3.48Å; I141-V147 WeakPolarHBondContact O-CG2 3.5Å; I141-F217 HydrophobicContact CG2-CB 3.87Å; I141-F217 HydrophobicContact CG2-CD1 4.45Å; I141-F217 HydrophobicContact CG2-CG 4.45Å; I141-D221 HydrophobicContact CD1-CB 3.74Å; I141-D221 WeakPolarHBondContact CD1-OD2 2.97Å; I141-I224 HydrophobicContact CD1-CD1 3.58Å |
| 142 | M | 97.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.5 | 179.3 | -70.7 | -62.7 | 95.6 | 0 | 0 | 113.8 | Y137 W138 V147 L172 D173 | Y137-M142 HydrophobicContact CD1-CG 4.33Å; Y137-M142 HydrophobicContact CD2-CE 4.17Å; Y137-M142 HydrophobicContact CD2-CG 4.36Å; Y137-M142 HydrophobicContact CE1-CG 4.03Å; Y137-M142 HydrophobicContact CE1-SD 4.34Å; Y137-M142 HydrophobicContact CE2-CE 3.35Å; Y137-M142 HydrophobicContact CE2-CG 4.12Å; Y137-M142 HydrophobicContact CE2-SD 4.12Å; Y137-M142 PolarHBondContact O-N 3.32Å; W138-M142 HydrophobicContact CE3-CB 4.44Å; W138-M142 HydrophobicContact CE3-CG 3.89Å; W138-M142 HydrophobicContact CZ3-CG 4.03Å; M142-V147 HydrophobicContact CE-CG1 4.16Å; M142-V147 HydrophobicContact CE-CG2 4.18Å; M142-V147 HydrophobicContact SD-CG1 4.43Å; M142-L172 HydrophobicContact SD-CB 4.25Å; M142-D173 HydrophobicContact SD-CB 3.97Å |
| 143 | K | 97.3 | Very high | 97.7 | Very high | 130 Ų | 130 | 57.8 Ų | 57.8 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 4 | 177.2 | -60.4 | -177.1 | -173.1 | 167.2 | 0 | 112.9 | W138 E140 I141 L148 | W138-K143 WeakPolarHBondContact O-CE 3.37Å; E140-K143 CarbonylContact O-C 3.58Å; E140-K143 PolarHBondContact O-N 3.21Å; I141-K143 PolarHBondContact O-N 3.46Å; I141-K143 VanDerWaalsContact O-N 3.1Å; K143-L148 WeakPolarHBondContact O-CD1 3.32Å |
| 144 | S | 98 | Very high | 97.8 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -73 | 152.6 | -177.5 | 70.5 | 0 | 0 | 0 | 0 | 112 | E140 I141 V147 L148 | E140-S144 PolarHBondContact O-N 3.44Å; I141-S144 VanDerWaalsContact O-CB 3.24Å; I141-S144 WeakPolarHBondContact O-CB 3.39Å; I141-S144 PolarHBondContact O-N 3.28Å; I141-S144 PolarHBondContact O-OG 3.48Å; S144-V147 PolarHBondContact O-N 3.33Å; S144-V147 WeakPolarHBondContact OG-CG2 3.47Å; S144-L148 WeakPolarHBondContact O-CG 3.47Å; S144-L148 PolarHBondContact O-N 3.3Å |
| 145 | G | 98.1 | Very high | 97.9 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -51.8 | -48.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V147 L148 Q149 | G145-V147 PolarHBondContact O-N 3.48Å; G145-L148 PolarHBondContact O-N 3.35Å; G145-Q149 VanDerWaalsContact O-CB 3.3Å; G145-Q149 WeakPolarHBondContact O-CB 3.38Å; G145-Q149 PolarHBondContact O-N 3.03Å |
| 146 | P | 97.8 | Very high | 97.9 | Very high | 78 Ų | 78 | 66.7 Ų | 66.7 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 177.4 | -27 | 36.4 | 0 | 0 | 0 | 113.8 | L150 F217 | P146-L150 WeakPolarHBondContact O-CB 3.45Å; P146-L150 PolarHBondContact O-N 3.12Å; P146-F217 HydrophobicContact CB-CE1 4.26Å; P146-F217 HydrophobicContact CB-CZ 4.18Å |
| 147 | V | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68 | -46.4 | 179 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | I141 M142 S144 G145 Q149 L150 M151 L172 F217 | I141-V147 WeakPolarHBondContact O-CG2 3.5Å; M142-V147 HydrophobicContact CE-CG1 4.16Å; M142-V147 HydrophobicContact CE-CG2 4.18Å; M142-V147 HydrophobicContact SD-CG1 4.43Å; S144-V147 PolarHBondContact O-N 3.33Å; S144-V147 WeakPolarHBondContact OG-CG2 3.47Å; G145-V147 PolarHBondContact O-N 3.48Å; V147-Q149 VanDerWaalsContact C-N 3.31Å; V147-Q149 PolarHBondContact O-N 3.41Å; V147-L150 PolarHBondContact O-N 2.97Å; V147-M151 WeakPolarHBondContact O-CG 3.44Å; V147-M151 PolarHBondContact O-N 3.4Å; V147-L172 HydrophobicContact CG1-CB 3.85Å; V147-L172 HydrophobicContact CG1-CD2 4.11Å; V147-F217 HydrophobicContact CG2-CD1 4.01Å; V147-F217 HydrophobicContact CG2-CD2 3.87Å; V147-F217 HydrophobicContact CG2-CE1 3.91Å; V147-F217 HydrophobicContact CG2-CE2 3.76Å; V147-F217 HydrophobicContact CG2-CG 4Å; V147-F217 HydrophobicContact CG2-CZ 3.79Å |
| 148 | L | 98.1 | Very high | 97.9 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 178.4 | -66.5 | 178.9 | 0 | 0 | 0 | 112.1 | K143 S144 G145 M151 E152 | K143-L148 WeakPolarHBondContact O-CD1 3.32Å; S144-L148 WeakPolarHBondContact O-CG 3.47Å; S144-L148 PolarHBondContact O-N 3.3Å; G145-L148 PolarHBondContact O-N 3.35Å; L148-M151 PolarHBondContact O-N 2.9Å; L148-E152 PolarHBondContact O-N 3.01Å |
| 149 | Q | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 64.7 Ų | 64.7 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.7 | -44.6 | 174.3 | -175.9 | 176.6 | 23.6 | 0 | 0 | 111.4 | G145 V147 M151 E152 Q153 | G145-Q149 VanDerWaalsContact O-CB 3.3Å; G145-Q149 WeakPolarHBondContact O-CB 3.38Å; G145-Q149 PolarHBondContact O-N 3.03Å; V147-Q149 VanDerWaalsContact C-N 3.31Å; V147-Q149 PolarHBondContact O-N 3.41Å; Q149-M151 VanDerWaalsContact C-N 3.32Å; Q149-M151 PolarHBondContact O-N 3.26Å; Q149-E152 PolarHBondContact O-N 2.95Å; Q149-Q153 VanDerWaalsContact O-CG 3.29Å; Q149-Q153 WeakPolarHBondContact O-CG 3.28Å; Q149-Q153 PolarHBondContact O-N 2.91Å |
| 150 | L | 97.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.5 | -174.7 | 65.4 | 0 | 0 | 0 | 111.6 | P146 V147 Q153 H154 L172 L210 T213 F217 | P146-L150 WeakPolarHBondContact O-CB 3.45Å; P146-L150 PolarHBondContact O-N 3.12Å; V147-L150 PolarHBondContact O-N 2.97Å; L150-Q153 PolarHBondContact O-N 3.07Å; L150-H154 VanDerWaalsContact CD1-CE1 3.46Å; L150-H154 WeakPolarHBondContact CD1-CE1 3.47Å; L150-H154 PolarHBondContact O-N 3.34Å; L150-H154 VanDerWaalsContact O-N 3.14Å; L150-H154 PolarHBondContact O-ND1 3.08Å; L150-L172 HydrophobicContact CD2-CD1 4.07Å; L150-L172 HydrophobicContact CD2-CD2 3.81Å; L150-L210 HydrophobicContact CD1-CD2 4.21Å; L150-L210 HydrophobicContact CD2-CD2 4.06Å; L150-L210 HydrophobicContact CG-CD2 4.04Å; L150-T213 HydrophobicContact CD2-CG2 3.69Å; L150-F217 HydrophobicContact CD2-CE2 4.42Å |
| 151 | M | 98.1 | Very high | 97.8 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.8 | -72.2 | -166.1 | 73.7 | 0 | 0 | 112.6 | V147 L148 Q149 H154 K155 F158 E170 L172 | V147-M151 WeakPolarHBondContact O-CG 3.44Å; V147-M151 PolarHBondContact O-N 3.4Å; L148-M151 PolarHBondContact O-N 2.9Å; Q149-M151 VanDerWaalsContact C-N 3.32Å; Q149-M151 PolarHBondContact O-N 3.26Å; M151-H154 CarbonylContact O-C 3.56Å; M151-H154 PolarHBondContact O-N 3.17Å; M151-K155 PolarHBondContact O-N 3.07Å; M151-F158 HydrophobicContact CE-CE1 4.44Å; M151-E170 WeakPolarHBondContact CE-O 3.27Å; M151-L172 HydrophobicContact CG-CB 4.12Å; M151-L172 HydrophobicContact SD-CB 4.31Å; M151-L172 PolarHBondContact SD-N 3.5Å |
| 152 | E | 98.4 | Very high | 97.7 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 176.8 | -175.1 | 62.4 | -159.9 | 0 | 0 | 111.4 | L148 Q149 H154 K155 | L148-E152 PolarHBondContact O-N 3.01Å; Q149-E152 PolarHBondContact O-N 2.95Å; E152-H154 VanDerWaalsContact C-N 3.26Å; E152-H154 PolarHBondContact O-N 3.42Å; E152-K155 VanDerWaalsContact O-CB 3.22Å; E152-K155 WeakPolarHBondContact O-CB 3.29Å; E152-K155 PolarHBondContact O-N 3.48Å; E152-K155 WeakPolarHBondContact OE1-CD 3.5Å; E152-K155 IonicContact OE1-NZ 2.92Å; E152-K155 PolarHBondContact OE1-NZ 2.99Å; E152-K155 IonicContact OE2-NZ 3.22Å; E152-K155 PolarHBondContact OE2-NZ 2.64Å |
| 153 | Q | 98.2 | Very high | 97.5 | Very high | 129 Ų | 129 | 69.6 Ų | 69.6 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.9 | -36.9 | 174.2 | -74.5 | 171 | -18.7 | 0 | 0 | 112.5 | Q149 L150 | Q149-Q153 VanDerWaalsContact O-CG 3.29Å; Q149-Q153 WeakPolarHBondContact O-CG 3.28Å; Q149-Q153 PolarHBondContact O-N 2.91Å; L150-Q153 PolarHBondContact O-N 3.07Å |
| 154 | H | 98.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 16.8 | -178.7 | -61.9 | 80.3 | 0 | 0 | 0 | 112.9 | L150 M151 E152 S156 L157 F158 E206 L210 | L150-H154 VanDerWaalsContact CD1-CE1 3.46Å; L150-H154 WeakPolarHBondContact CD1-CE1 3.47Å; L150-H154 PolarHBondContact O-N 3.34Å; L150-H154 VanDerWaalsContact O-N 3.14Å; L150-H154 PolarHBondContact O-ND1 3.08Å; M151-H154 CarbonylContact O-C 3.56Å; M151-H154 PolarHBondContact O-N 3.17Å; E152-H154 VanDerWaalsContact C-N 3.26Å; E152-H154 PolarHBondContact O-N 3.42Å; H154-S156 PolarHBondContact O-N 2.91Å; H154-S156 VanDerWaalsContact O-N 3.14Å; H154-L157 HydrophobicContact CB-CB 4.47Å; H154-L157 WeakPolarHBondContact O-CB 3.2Å; H154-L157 PolarHBondContact O-N 3.35Å; H154-F158 HydrophobicContact CB-CD2 4.05Å; H154-F158 HydrophobicContact CB-CE2 4.15Å; H154-F158 WeakPolarHBondContact O-CD2 3.48Å; H154-F158 PolarHBondContact O-N 3.24Å; H154-E206 IonicContact CD2-OE1 3.28Å; H154-E206 PolarHBondContact CD2-OE1 2.78Å; H154-L210 HydrophobicContact CB-CD1 4.16Å |
| 155 | K | 98 | Very high | 97 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.4 | -38.5 | -175.1 | 179 | -180 | -166.4 | 159.3 | 0 | 113.9 | M151 E152 S159 | M151-K155 PolarHBondContact O-N 3.07Å; E152-K155 VanDerWaalsContact O-CB 3.22Å; E152-K155 WeakPolarHBondContact O-CB 3.29Å; E152-K155 PolarHBondContact O-N 3.48Å; E152-K155 WeakPolarHBondContact OE1-CD 3.5Å; E152-K155 IonicContact OE1-NZ 2.92Å; E152-K155 PolarHBondContact OE1-NZ 2.99Å; E152-K155 IonicContact OE2-NZ 3.22Å; E152-K155 PolarHBondContact OE2-NZ 2.64Å; K155-S159 WeakPolarHBondContact O-CB 3.37Å; K155-S159 PolarHBondContact O-N 2.95Å |
| 156 | S | 97.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 66.8 Ų | 66.8 | 67% | 0.671 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | H154 S159 T160 | H154-S156 PolarHBondContact O-N 2.91Å; H154-S156 VanDerWaalsContact O-N 3.14Å; S156-S159 WeakPolarHBondContact O-CB 3.18Å; S156-S159 PolarHBondContact O-N 2.94Å; S156-T160 PolarHBondContact O-N 2.91Å; S156-T160 PolarHBondContact O-OG1 3.14Å |
| 157 | L | 97.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -52.9 | 176 | 170.3 | 65.4 | 0 | 0 | 0 | 110.9 | H154 S159 T160 L161 L203 E206 I207 L210 | H154-L157 HydrophobicContact CB-CB 4.47Å; H154-L157 WeakPolarHBondContact O-CB 3.2Å; H154-L157 PolarHBondContact O-N 3.35Å; L157-S159 PolarHBondContact O-N 3.2Å; L157-T160 WeakPolarHBondContact O-CB 3.46Å; L157-T160 PolarHBondContact O-N 3.34Å; L157-T160 VanDerWaalsContact O-N 3.09Å; L157-L161 HydrophobicContact CD1-CD1 3.94Å; L157-L161 HydrophobicContact CD1-CD2 4.46Å; L157-L161 HydrophobicContact CD1-CG 3.99Å; L157-L161 HydrophobicContact CG-CD1 4.03Å; L157-L161 HydrophobicContact CG-CG 4.41Å; L157-L161 WeakPolarHBondContact O-CG 3.27Å; L157-L161 PolarHBondContact O-N 3.48Å; L157-L203 HydrophobicContact CD1-CD1 3.18Å; L157-E206 HydrophobicContact CD2-CB 4.49Å; L157-E206 HydrophobicContact CD2-CG 3.85Å; L157-I207 HydrophobicContact CD1-CG1 4.49Å; L157-L210 HydrophobicContact CD2-CD1 3.46Å; L157-L210 VanDerWaalsContact CD2-CD1 3.46Å |
| 158 | F | 98.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.4 | -36.1 | 178 | -84.4 | -88 | 0 | 0 | 0 | 112 | M151 H154 R162 L169 L172 I175 L210 | M151-F158 HydrophobicContact CE-CE1 4.44Å; H154-F158 HydrophobicContact CB-CD2 4.05Å; H154-F158 HydrophobicContact CB-CE2 4.15Å; H154-F158 WeakPolarHBondContact O-CD2 3.48Å; H154-F158 PolarHBondContact O-N 3.24Å; F158-R162 VanDerWaalsContact O-CG 3.32Å; F158-R162 WeakPolarHBondContact O-CG 3.45Å; F158-R162 PolarHBondContact O-N 3.09Å; F158-L169 HydrophobicContact CD1-CB 3.93Å; F158-L169 HydrophobicContact CE1-CB 4.4Å; F158-L172 HydrophobicContact CZ-CD1 4.32Å; F158-I175 HydrophobicContact CE1-CB 4.49Å; F158-I175 HydrophobicContact CE1-CD1 4.36Å; F158-I175 HydrophobicContact CZ-CB 4.37Å; F158-I175 HydrophobicContact CZ-CD1 4.37Å; F158-L210 HydrophobicContact CE2-CD1 4.03Å |
| 159 | S | 97.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.5 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | K155 S156 L157 K163 | K155-S159 WeakPolarHBondContact O-CB 3.37Å; K155-S159 PolarHBondContact O-N 2.95Å; S156-S159 WeakPolarHBondContact O-CB 3.18Å; S156-S159 PolarHBondContact O-N 2.94Å; L157-S159 PolarHBondContact O-N 3.2Å; S159-K163 PolarHBondContact O-N 3.39Å |
| 160 | T | 96.2 | Very high | 96 | Very high | 61 Ų | 61 | 65 Ų | 65 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.4 | -51 | 174.1 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | S156 L157 R162 K163 E164 | S156-T160 PolarHBondContact O-N 2.91Å; S156-T160 PolarHBondContact O-OG1 3.14Å; L157-T160 WeakPolarHBondContact O-CB 3.46Å; L157-T160 PolarHBondContact O-N 3.34Å; L157-T160 VanDerWaalsContact O-N 3.09Å; T160-R162 VanDerWaalsContact C-N 3.33Å; T160-R162 PolarHBondContact O-N 2.9Å; T160-K163 WeakPolarHBondContact O-CB 3.38Å; T160-K163 PolarHBondContact O-N 3.5Å; T160-E164 HydrophobicContact CG2-CG 3.98Å; T160-E164 WeakPolarHBondContact O-CB 3.42Å; T160-E164 WeakPolarHBondContact O-CG 3.15Å; T160-E164 PolarHBondContact O-N 3.32Å |
| 161 | L | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | -178.9 | -64.6 | 178.6 | 0 | 0 | 0 | 112.7 | L157 K163 E164 T165 L169 I175 V178 W198 I207 | L157-L161 HydrophobicContact CD1-CD1 3.94Å; L157-L161 HydrophobicContact CD1-CD2 4.46Å; L157-L161 HydrophobicContact CD1-CG 3.99Å; L157-L161 HydrophobicContact CG-CD1 4.03Å; L157-L161 HydrophobicContact CG-CG 4.41Å; L157-L161 WeakPolarHBondContact O-CG 3.27Å; L157-L161 PolarHBondContact O-N 3.48Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 3.03Å; L161-E164 PolarHBondContact O-N 2.72Å; L161-T165 VanDerWaalsContact O-CB 3.32Å; L161-T165 WeakPolarHBondContact O-CB 3.34Å; L161-T165 WeakPolarHBondContact O-CG2 3.22Å; L161-T165 PolarHBondContact O-N 3.47Å; L161-T165 PolarHBondContact O-OG1 3.27Å; L161-L169 HydrophobicContact CB-CD1 3.41Å; L161-L169 VanDerWaalsContact CB-CD1 3.41Å; L161-L169 HydrophobicContact CD1-CD1 4.44Å; L161-I175 HydrophobicContact CD1-CD1 3.5Å; L161-V178 HydrophobicContact CD1-CG1 4.46Å; L161-V178 HydrophobicContact CD1-CG2 4.47Å; L161-V178 HydrophobicContact CD2-CG1 4.15Å; L161-W198 HydrophobicContact CD2-CH2 4.45Å; L161-W198 HydrophobicContact CD2-CZ3 4.21Å; L161-I207 HydrophobicContact CD1-CD1 4.26Å; L161-I207 HydrophobicContact CD1-CG1 4.1Å; L161-I207 HydrophobicContact CD2-CD1 3.98Å |
| 162 | R | 95.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 172.9 | -77.7 | -172.1 | -79.8 | -82.3 | -2.8 | 112 | F158 T160 G166 L167 A168 L169 | F158-R162 VanDerWaalsContact O-CG 3.32Å; F158-R162 WeakPolarHBondContact O-CG 3.45Å; F158-R162 PolarHBondContact O-N 3.09Å; T160-R162 VanDerWaalsContact C-N 3.33Å; T160-R162 PolarHBondContact O-N 2.9Å; R162-G166 WeakPolarHBondContact O-CA 3.17Å; R162-G166 PolarHBondContact O-N 3.43Å; R162-L167 WeakPolarHBondContact CG-O 3.45Å; R162-A168 VanDerWaalsContact CD-O 3.25Å; R162-A168 WeakPolarHBondContact CD-O 3.4Å; R162-L169 HydrophobicContact CG-CB 4.1Å; R162-L169 HydrophobicContact CG-CD1 4.24Å; R162-L169 HydrophobicContact CG-CG 4.34Å; R162-L169 PolarHBondContact NH1-O 2.95Å |
| 163 | K | 94.8 | Very high | 95.8 | Very high | 169 Ų | 169 | 60.3 Ų | 60.3 | 74% | 0.735 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | 178.7 | -177.8 | -168.3 | 170.7 | -154.7 | 0 | 111.6 | S159 T160 L161 | S159-K163 PolarHBondContact O-N 3.39Å; T160-K163 WeakPolarHBondContact O-CB 3.38Å; T160-K163 PolarHBondContact O-N 3.5Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 3.03Å |
| 164 | E | 92.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -79 | -20.5 | -173.7 | -66.5 | -51.3 | 144.2 | 0 | 0 | 113.8 | T160 L161 W198 | T160-E164 HydrophobicContact CG2-CG 3.98Å; T160-E164 WeakPolarHBondContact O-CB 3.42Å; T160-E164 WeakPolarHBondContact O-CG 3.15Å; T160-E164 PolarHBondContact O-N 3.32Å; L161-E164 PolarHBondContact O-N 2.72Å; E164-W198 HydrophobicContact CB-CD2 4.11Å; E164-W198 HydrophobicContact CB-CG 3.9Å; E164-W198 HydrophobicContact CG-CB 4.08Å; E164-W198 HydrophobicContact CG-CD2 4.43Å; E164-W198 HydrophobicContact CG-CG 3.89Å; E164-W198 PolarHBondContact O-NE1 3.28Å; E164-W198 VanDerWaalsContact OE2-CD1 3.22Å |
| 165 | T | 91.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -118.9 | -17.6 | -175.7 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | F21 L161 L167 V178 W198 | F21-T165 HydrophobicContact CD1-CG2 3.98Å; F21-T165 HydrophobicContact CE1-CG2 4.02Å; L161-T165 VanDerWaalsContact O-CB 3.32Å; L161-T165 WeakPolarHBondContact O-CB 3.34Å; L161-T165 WeakPolarHBondContact O-CG2 3.22Å; L161-T165 PolarHBondContact O-N 3.47Å; L161-T165 PolarHBondContact O-OG1 3.27Å; T165-L167 PolarHBondContact O-N 3.02Å; T165-L167 WeakPolarHBondContact OG1-CB 3.31Å; T165-L167 WeakPolarHBondContact OG1-CG 3.41Å; T165-L167 PolarHBondContact OG1-N 2.87Å; T165-V178 HydrophobicContact CG2-CG2 4.32Å; T165-W198 HydrophobicContact CG2-CH2 4.36Å; T165-W198 HydrophobicContact CG2-CZ2 3.79Å |
| 166 | G | 91.7 | Very high | 95.5 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | trans | 70.5 | 1.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R162 | R162-G166 WeakPolarHBondContact O-CA 3.17Å; R162-G166 PolarHBondContact O-N 3.43Å | ||
| 167 | L | 92.9 | Very high | 95.2 | Very high | 33 Ų | 33 | 51 Ų | 51 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | trans | -73.4 | 150.3 | 177 | -63 | 171.1 | 0 | 0 | 0 | 110.8 | P20 R162 T165 L169 Q177 V178 | P20-L167 HydrophobicContact CB-CD1 4.44Å; P20-L167 HydrophobicContact CB-CD2 4.33Å; P20-L167 HydrophobicContact CB-CG 4.5Å; P20-L167 HydrophobicContact CG-CD1 4.3Å; R162-L167 WeakPolarHBondContact CG-O 3.45Å; T165-L167 PolarHBondContact O-N 3.02Å; T165-L167 WeakPolarHBondContact OG1-CB 3.31Å; T165-L167 WeakPolarHBondContact OG1-CG 3.41Å; T165-L167 PolarHBondContact OG1-N 2.87Å; L167-L169 HydrophobicContact CB-CD1 4.47Å; L167-L169 HydrophobicContact CB-CD2 3.82Å; L167-L169 HydrophobicContact CB-CG 3.78Å; L167-L169 HydrophobicContact CD1-CD2 4.07Å; L167-Q177 HydrophobicContact CD1-CB 3.83Å; L167-V178 HydrophobicContact CD1-CG2 3.88Å | ||
| 168 | A | 94.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | trans | -70.8 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | R162 E170 | R162-A168 VanDerWaalsContact CD-O 3.25Å; R162-A168 WeakPolarHBondContact CD-O 3.4Å; A168-E170 HydrophobicContact CB-CG 3.89Å; A168-E170 PolarHBondContact O-N 3.02Å | ||
| 169 | L | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | trans | 45.7 | 55.1 | 178.9 | -53.3 | 177.6 | 0 | 0 | 0 | 114.3 | F158 L161 R162 L167 S174 V178 | F158-L169 HydrophobicContact CD1-CB 3.93Å; F158-L169 HydrophobicContact CE1-CB 4.4Å; L161-L169 HydrophobicContact CB-CD1 3.41Å; L161-L169 VanDerWaalsContact CB-CD1 3.41Å; L161-L169 HydrophobicContact CD1-CD1 4.44Å; R162-L169 HydrophobicContact CG-CB 4.1Å; R162-L169 HydrophobicContact CG-CD1 4.24Å; R162-L169 HydrophobicContact CG-CG 4.34Å; R162-L169 PolarHBondContact NH1-O 2.95Å; L167-L169 HydrophobicContact CB-CD1 4.47Å; L167-L169 HydrophobicContact CB-CD2 3.82Å; L167-L169 HydrophobicContact CB-CG 3.78Å; L167-L169 HydrophobicContact CD1-CD2 4.07Å; L169-S174 WeakPolarHBondContact CA-OG 3.16Å; L169-S174 WeakPolarHBondContact CD2-O 3.24Å; L169-V178 HydrophobicContact CD1-CG2 4.15Å; L169-V178 HydrophobicContact CD2-CG2 4Å | ||
| 170 | E | 95 | Very high | 94.7 | Very high | 159 Ų | 159 | 47.3 Ų | 47.3 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | trans | -80.9 | -21.9 | -169.4 | -61.5 | -174.7 | 165.5 | 0 | 0 | 114.8 | M151 A168 S174 | M151-E170 WeakPolarHBondContact CE-O 3.27Å; A168-E170 HydrophobicContact CB-CG 3.89Å; A168-E170 PolarHBondContact O-N 3.02Å; E170-S174 PolarHBondContact N-OG 3.13Å | ||
| 171 | T | 96.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -130.2 | 164.2 | -176 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | W138 D173 S174 | W138-T171 HydrophobicContact CZ3-CG2 4.15Å; T171-D173 PolarHBondContact O-N 2.83Å; T171-S174 PolarHBondContact N-OG 3.06Å; T171-S174 WeakPolarHBondContact O-CB 3.39Å; T171-S174 PolarHBondContact O-N 3.48Å; T171-S174 VanDerWaalsContact O-N 3.17Å; T171-S174 PolarHBondContact O-OG 2.85Å; T171-S174 PolarHBondContact OG1-N 3.4Å |
| 172 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -56.9 | -41.5 | 172.4 | -179.5 | 64.1 | 0 | 0 | 0 | 111.2 | M142 V147 L150 M151 F158 S174 I175 L210 F217 | M142-L172 HydrophobicContact SD-CB 4.25Å; V147-L172 HydrophobicContact CG1-CB 3.85Å; V147-L172 HydrophobicContact CG1-CD2 4.11Å; L150-L172 HydrophobicContact CD2-CD1 4.07Å; L150-L172 HydrophobicContact CD2-CD2 3.81Å; M151-L172 HydrophobicContact CG-CB 4.12Å; M151-L172 HydrophobicContact SD-CB 4.31Å; M151-L172 PolarHBondContact SD-N 3.5Å; F158-L172 HydrophobicContact CZ-CD1 4.32Å; L172-S174 PolarHBondContact O-N 3.39Å; L172-I175 WeakPolarHBondContact O-CB 3.38Å; L172-I175 WeakPolarHBondContact O-CG2 3.37Å; L172-I175 PolarHBondContact O-N 3.38Å; L172-L210 HydrophobicContact CD1-CB 4.4Å; L172-L210 HydrophobicContact CD1-CD2 4.07Å; L172-F217 HydrophobicContact CD2-CD2 3.96Å; L172-F217 HydrophobicContact CD2-CE2 4.06Å |
| 173 | D | 96.5 | Very high | 94.5 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -54.6 | -38.9 | 177 | -174.9 | 65.8 | 0 | 0 | 0 | 113.7 | Y137 W138 M142 T171 I175 Y176 S214 | Y137-D173 HydrophobicContact CE1-CB 4.12Å; Y137-D173 VanDerWaalsContact OH-CB 3.29Å; Y137-D173 WeakPolarHBondContact OH-CB 3.44Å; Y137-D173 PolarHBondContact OH-OD1 3.38Å; Y137-D173 VanDerWaalsContact OH-OD1 3.06Å; W138-D173 HydrophobicContact CH2-CB 3.82Å; W138-D173 VanDerWaalsContact CH2-OD2 3.24Å; W138-D173 WeakPolarHBondContact CH2-OD2 3.24Å; W138-D173 HydrophobicContact CZ3-CB 4.1Å; M142-D173 HydrophobicContact SD-CB 3.97Å; T171-D173 PolarHBondContact O-N 2.83Å; D173-I175 PolarHBondContact O-N 2.76Å; D173-Y176 VanDerWaalsContact O-CB 3.23Å; D173-Y176 WeakPolarHBondContact O-CB 3.49Å; D173-Y176 PolarHBondContact O-N 3.21Å; D173-S214 WeakPolarHBondContact CA-OG 3.47Å |
| 174 | S | 95.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.6 | -16.2 | -175.5 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | L169 E170 T171 L172 Y176 Q177 | L169-S174 WeakPolarHBondContact CA-OG 3.16Å; L169-S174 WeakPolarHBondContact CD2-O 3.24Å; E170-S174 PolarHBondContact N-OG 3.13Å; T171-S174 PolarHBondContact N-OG 3.06Å; T171-S174 WeakPolarHBondContact O-CB 3.39Å; T171-S174 PolarHBondContact O-N 3.48Å; T171-S174 VanDerWaalsContact O-N 3.17Å; T171-S174 PolarHBondContact O-OG 2.85Å; T171-S174 PolarHBondContact OG1-N 3.4Å; L172-S174 PolarHBondContact O-N 3.39Å; S174-Y176 PolarHBondContact O-N 3.25Å; S174-Q177 WeakPolarHBondContact O-CB 3.45Å; S174-Q177 PolarHBondContact O-N 3.19Å |
| 175 | I | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -57 | -27.6 | 172.3 | -161.2 | 60.7 | 0 | 0 | 0 | 112.6 | F158 L161 L172 D173 Q177 V178 Y179 I207 L210 | F158-I175 HydrophobicContact CE1-CB 4.49Å; F158-I175 HydrophobicContact CE1-CD1 4.36Å; F158-I175 HydrophobicContact CZ-CB 4.37Å; F158-I175 HydrophobicContact CZ-CD1 4.37Å; L161-I175 HydrophobicContact CD1-CD1 3.5Å; L172-I175 WeakPolarHBondContact O-CB 3.38Å; L172-I175 WeakPolarHBondContact O-CG2 3.37Å; L172-I175 PolarHBondContact O-N 3.38Å; D173-I175 PolarHBondContact O-N 2.76Å; I175-Q177 PolarHBondContact O-N 3.12Å; I175-V178 PolarHBondContact O-N 2.87Å; I175-Y179 PolarHBondContact O-N 3.35Å; I175-I207 HydrophobicContact CD1-CG1 4.45Å; I175-I207 HydrophobicContact CD1-CG2 4.2Å; I175-I207 HydrophobicContact CG1-CG2 4.09Å; I175-L210 HydrophobicContact CG1-CB 4.24Å |
| 176 | Y | 94.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 31.3 Ų | 31.3 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -50.5 | -37.9 | 173.1 | 170.3 | -103.3 | 0 | 0 | 0 | 112.8 | L16 D173 S174 V178 Y179 E180 Y211 | L16-Y176 HydrophobicContact CD1-CE1 4.36Å; L16-Y176 WeakPolarHBondContact CD1-OH 3.46Å; D173-Y176 VanDerWaalsContact O-CB 3.23Å; D173-Y176 WeakPolarHBondContact O-CB 3.49Å; D173-Y176 PolarHBondContact O-N 3.21Å; S174-Y176 PolarHBondContact O-N 3.25Å; Y176-V178 PolarHBondContact O-N 3.28Å; Y176-Y179 PolarHBondContact O-N 3.37Å; Y176-E180 HydrophobicContact CD2-CB 4.33Å; Y176-E180 HydrophobicContact CD2-CG 3.43Å; Y176-E180 VanDerWaalsContact CD2-CG 3.43Å; Y176-E180 HydrophobicContact CE1-CG 4.45Å; Y176-E180 HydrophobicContact CE2-CB 4.18Å; Y176-E180 HydrophobicContact CE2-CG 3.07Å; Y176-E180 HydrophobicContact CG-CG 4.32Å; Y176-E180 WeakPolarHBondContact O-CB 3.43Å; Y176-E180 PolarHBondContact O-N 2.75Å; Y176-Y211 HydrophobicContact CD2-CD2 4.15Å; Y176-Y211 AromaticContact CD2-CE2 3.4Å; Y176-Y211 HydrophobicContact CD2-CE2 3.4Å; Y176-Y211 AromaticContact CD2-CZ 3.87Å; Y176-Y211 HydrophobicContact CE2-CE2 4.27Å; Y176-Y211 HydrophobicContact CG-CE2 4.18Å |
| 177 | Q | 93.1 | Very high | 94.6 | Very high | 93 Ų | 93 | 29 Ų | 29 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65 | -22.3 | -179.1 | -63.6 | 176.3 | 73.8 | 0 | 0 | 113 | L167 S174 I175 P181 | L167-Q177 HydrophobicContact CD1-CB 3.83Å; S174-Q177 WeakPolarHBondContact O-CB 3.45Å; S174-Q177 PolarHBondContact O-N 3.19Å; I175-Q177 PolarHBondContact O-N 3.12Å; Q177-P181 WeakPolarHBondContact O-CD 2.88Å; Q177-P181 WeakPolarHBondContact O-CG 3.12Å |
| 178 | V | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -96.2 | -46.7 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | F21 L161 T165 L167 L169 I175 Y176 L182 W198 I207 | F21-V178 HydrophobicContact CE1-CG1 4.19Å; F21-V178 HydrophobicContact CZ-CG1 4.4Å; L161-V178 HydrophobicContact CD1-CG1 4.46Å; L161-V178 HydrophobicContact CD1-CG2 4.47Å; L161-V178 HydrophobicContact CD2-CG1 4.15Å; T165-V178 HydrophobicContact CG2-CG2 4.32Å; L167-V178 HydrophobicContact CD1-CG2 3.88Å; L169-V178 HydrophobicContact CD1-CG2 4.15Å; L169-V178 HydrophobicContact CD2-CG2 4Å; I175-V178 PolarHBondContact O-N 2.87Å; Y176-V178 PolarHBondContact O-N 3.28Å; V178-L182 HydrophobicContact CG1-CD1 3.92Å; V178-L182 WeakPolarHBondContact O-CG 3.5Å; V178-L182 PolarHBondContact O-N 3.46Å; V178-W198 HydrophobicContact CG1-CH2 4.06Å; V178-I207 HydrophobicContact CG1-CD1 4.04Å; V178-I207 HydrophobicContact CG1-CG2 4.48Å |
| 179 | Y | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -53.1 | -176.7 | 171.6 | -103 | 0 | 0 | 0 | 112.6 | I175 Y176 L182 Y183 F204 I207 E208 Y211 H212 | I175-Y179 PolarHBondContact O-N 3.35Å; Y176-Y179 PolarHBondContact O-N 3.37Å; Y179-L182 PolarHBondContact O-N 3.45Å; Y179-L182 VanDerWaalsContact O-N 3.16Å; Y179-Y183 HydrophobicContact CE1-CD2 4.35Å; Y179-Y183 HydrophobicContact CE1-CG 4.28Å; Y179-Y183 AromaticContact CE2-CD2 3.9Å; Y179-Y183 HydrophobicContact CE2-CD2 3.9Å; Y179-Y183 HydrophobicContact CE2-CG 4.38Å; Y179-Y183 AromaticContact CZ-CD2 3.56Å; Y179-Y183 AromaticContact CZ-CG 3.92Å; Y179-Y183 WeakPolarHBondContact O-CB 3.17Å; Y179-Y183 PolarHBondContact O-N 3.01Å; Y179-Y183 WeakPolarHBondContact OH-CD2 3.4Å; Y179-Y183 WeakPolarHBondContact OH-CE2 3.34Å; Y179-F204 HydrophobicContact CD2-CE2 4.26Å; Y179-F204 HydrophobicContact CE2-CE2 4.34Å; Y179-F204 HydrophobicContact CE2-CZ 4.27Å; Y179-I207 HydrophobicContact CD2-CG2 4.26Å; Y179-E208 HydrophobicContact CD2-CB 4.04Å; Y179-E208 HydrophobicContact CD2-CG 4.44Å; Y179-E208 HydrophobicContact CE2-CB 3.65Å; Y179-E208 HydrophobicContact CE2-CG 3.6Å; Y179-Y211 AromaticContact CD1-CD1 3.15Å; Y179-Y211 HydrophobicContact CD1-CD1 3.15Å; Y179-Y211 HydrophobicContact CD1-CD2 4.1Å; Y179-Y211 AromaticContact CD1-CE1 3.56Å; Y179-Y211 HydrophobicContact CD1-CE1 3.56Å; Y179-Y211 HydrophobicContact CD1-CE2 4.47Å; Y179-Y211 AromaticContact CD1-CG 3.43Å; Y179-Y211 HydrophobicContact CD1-CG 3.43Å; Y179-Y211 VanDerWaalsContact CD1-CG 3.43Å; Y179-Y211 HydrophobicContact CD2-CD1 4.43Å; Y179-Y211 AromaticContact CE1-CD1 3.04Å; Y179-Y211 HydrophobicContact CE1-CD1 3.04Å; Y179-Y211 AromaticContact CE1-CE1 3.26Å; Y179-Y211 HydrophobicContact CE1-CE1 3.26Å; Y179-Y211 AromaticContact CE1-CG 3.86Å; Y179-Y211 HydrophobicContact CE1-CG 3.86Å; Y179-Y211 HydrophobicContact CE2-CD1 4.34Å; Y179-Y211 AromaticContact CG-CD1 3.86Å; Y179-Y211 HydrophobicContact CG-CD1 3.86Å; Y179-Y211 AromaticContact CG-CG 3.81Å; Y179-Y211 HydrophobicContact CG-CG 3.81Å; Y179-Y211 AromaticContact CZ-CD1 3.66Å; Y179-H212 PolarHBondContact OH-NE2 2.89Å |
| 180 | E | 93.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | -170.9 | -93.7 | -64.4 | 150.2 | 0 | 0 | 114.1 | R13 L16 Y176 L182 Y183 S184 | R13-E180 IonicContact CZ-OE2 3.34Å; R13-E180 IonicContact NH1-OE2 3.74Å; R13-E180 PolarHBondContact NH1-OE2 2.84Å; R13-E180 IonicContact NH2-OE1 2.84Å; R13-E180 IonicContact NH2-OE2 3.68Å; R13-E180 PolarHBondContact NH2-OE2 3.02Å; L16-E180 HydrophobicContact CD1-CG 4.42Å; Y176-E180 HydrophobicContact CD2-CB 4.33Å; Y176-E180 HydrophobicContact CD2-CG 3.43Å; Y176-E180 VanDerWaalsContact CD2-CG 3.43Å; Y176-E180 HydrophobicContact CE1-CG 4.45Å; Y176-E180 HydrophobicContact CE2-CB 4.18Å; Y176-E180 HydrophobicContact CE2-CG 3.07Å; Y176-E180 HydrophobicContact CG-CG 4.32Å; Y176-E180 WeakPolarHBondContact O-CB 3.43Å; Y176-E180 PolarHBondContact O-N 2.75Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-Y183 PolarHBondContact O-N 3.4Å; E180-S184 WeakPolarHBondContact O-CB 3.46Å; E180-S184 PolarHBondContact O-N 2.95Å; E180-S184 PolarHBondContact O-OG 3.39Å |
| 181 | P | 92.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 174.9 | -24.1 | 35.7 | 0 | 0 | 0 | 112.3 | P15 F21 Q177 V185 | P15-P181 HydrophobicContact CB-CB 4.07Å; P15-P181 HydrophobicContact CG-CB 4.29Å; F21-P181 HydrophobicContact CE2-CB 3.6Å; F21-P181 HydrophobicContact CZ-CB 3.81Å; F21-P181 HydrophobicContact CZ-CG 4.37Å; Q177-P181 WeakPolarHBondContact O-CD 2.88Å; Q177-P181 WeakPolarHBondContact O-CG 3.12Å; P181-V185 VanDerWaalsContact O-CG2 3.26Å; P181-V185 WeakPolarHBondContact O-CG2 3.2Å; P181-V185 PolarHBondContact O-N 2.93Å; P181-V185 VanDerWaalsContact O-N 3.14Å |
| 182 | L | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -48.7 | 175.6 | -71.9 | -179.3 | 0 | 0 | 0 | 111.4 | F21 V178 Y179 E180 S184 V185 V186 L195 P196 W198 F199 F204 I207 | F21-L182 HydrophobicContact CD2-CD2 4.22Å; F21-L182 HydrophobicContact CE2-CD2 3.55Å; F21-L182 HydrophobicContact CE2-CG 3.82Å; F21-L182 HydrophobicContact CZ-CD2 3.85Å; F21-L182 HydrophobicContact CZ-CG 3.68Å; V178-L182 HydrophobicContact CG1-CD1 3.92Å; V178-L182 WeakPolarHBondContact O-CG 3.5Å; V178-L182 PolarHBondContact O-N 3.46Å; Y179-L182 PolarHBondContact O-N 3.45Å; Y179-L182 VanDerWaalsContact O-N 3.16Å; E180-L182 VanDerWaalsContact C-N 3.34Å; L182-S184 VanDerWaalsContact C-N 3.31Å; L182-S184 PolarHBondContact O-N 3.19Å; L182-V185 CarbonylContact O-C 3.55Å; L182-V185 PolarHBondContact O-N 2.88Å; L182-V186 WeakPolarHBondContact O-CB 3.28Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 3.08Å; L182-L195 HydrophobicContact CD2-CD2 4.16Å; L182-P196 HydrophobicContact CD2-CG 4.04Å; L182-W198 HydrophobicContact CD1-CH2 3.95Å; L182-W198 HydrophobicContact CD1-CZ3 4.04Å; L182-W198 HydrophobicContact CD2-CH2 4.22Å; L182-W198 HydrophobicContact CG-CH2 4.45Å; L182-F199 HydrophobicContact CD1-CD2 4.28Å; L182-F199 HydrophobicContact CD2-CD2 3.85Å; L182-F199 HydrophobicContact CD2-CE2 4.35Å; L182-F204 HydrophobicContact CB-CD2 3.88Å; L182-F204 HydrophobicContact CB-CE2 3.68Å; L182-F204 HydrophobicContact CD1-CD2 4.07Å; L182-I207 HydrophobicContact CD1-CD1 4Å |
| 183 | Y | 95.1 | Very high | 92 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 178.8 | -174.8 | -94 | 0 | 0 | 0 | 111.4 | R9 Y179 E180 V185 V186 H187 F204 E280 F281 | R9-Y183 PolarHBondContact NH1-OH 3.03Å; Y179-Y183 HydrophobicContact CE1-CD2 4.35Å; Y179-Y183 HydrophobicContact CE1-CG 4.28Å; Y179-Y183 AromaticContact CE2-CD2 3.9Å; Y179-Y183 HydrophobicContact CE2-CD2 3.9Å; Y179-Y183 HydrophobicContact CE2-CG 4.38Å; Y179-Y183 AromaticContact CZ-CD2 3.56Å; Y179-Y183 AromaticContact CZ-CG 3.92Å; Y179-Y183 WeakPolarHBondContact O-CB 3.17Å; Y179-Y183 PolarHBondContact O-N 3.01Å; Y179-Y183 WeakPolarHBondContact OH-CD2 3.4Å; Y179-Y183 WeakPolarHBondContact OH-CE2 3.34Å; E180-Y183 PolarHBondContact O-N 3.4Å; Y183-V185 VanDerWaalsContact C-N 3.28Å; Y183-V185 PolarHBondContact O-N 3.44Å; Y183-V186 PolarHBondContact O-N 2.93Å; Y183-H187 AromaticContact CD1-CD2 3.77Å; Y183-H187 AromaticContact CD2-CD2 3.62Å; Y183-H187 AromaticContact CD2-NE2 3.44Å; Y183-H187 WeakPolarHBondContact CD2-NE2 3.47Å; Y183-H187 AromaticContact CE1-CD2 3.58Å; Y183-H187 AromaticContact CE2-CD2 3.41Å; Y183-H187 VanDerWaalsContact CE2-CD2 3.41Å; Y183-H187 WeakPolarHBondContact CE2-CD2 3.11Å; Y183-H187 AromaticContact CE2-NE2 3.07Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.4Å; Y183-H187 AromaticContact CG-CD2 3.77Å; Y183-H187 AromaticContact CZ-CD2 3.35Å; Y183-H187 AromaticContact CZ-NE2 3.44Å; Y183-H187 PolarHBondContact O-CD2 3.32Å; Y183-H187 PolarHBondContact O-N 3.22Å; Y183-F204 HydrophobicContact CD2-CZ 4.1Å; Y183-E280 WeakPolarHBondContact OH-CA 3.35Å; Y183-F281 HydrophobicContact CD1-CD2 4.45Å; Y183-F281 AromaticContact CD1-CE2 3.66Å; Y183-F281 HydrophobicContact CD1-CE2 3.66Å; Y183-F281 AromaticContact CD1-CZ 3.69Å; Y183-F281 HydrophobicContact CD1-CZ 3.69Å; Y183-F281 HydrophobicContact CE1-CD1 4.39Å; Y183-F281 AromaticContact CE1-CD2 3.62Å; Y183-F281 HydrophobicContact CE1-CD2 3.62Å; Y183-F281 HydrophobicContact CE1-CE1 4.06Å; Y183-F281 AromaticContact CE1-CE2 3.26Å; Y183-F281 HydrophobicContact CE1-CE2 3.26Å; Y183-F281 HydrophobicContact CE1-CG 4.19Å; Y183-F281 AromaticContact CE1-CZ 3.51Å; Y183-F281 HydrophobicContact CE1-CZ 3.51Å; Y183-F281 PolarHBondContact OH-N 3.42Å |
| 184 | S | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | R13 E180 L182 D188 | R13-S184 PolarHBondContact NH1-OG 3.4Å; R13-S184 VanDerWaalsContact O-CB 3.3Å; R13-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 WeakPolarHBondContact O-CB 3.46Å; E180-S184 PolarHBondContact O-N 2.95Å; E180-S184 PolarHBondContact O-OG 3.39Å; L182-S184 VanDerWaalsContact C-N 3.31Å; L182-S184 PolarHBondContact O-N 3.19Å; S184-D188 PolarHBondContact O-N 3.39Å |
| 185 | V | 92 | Very high | 91.1 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.5 | -42 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | P15 P181 L182 Y183 H187 D188 G191 K194 L195 | P15-V185 HydrophobicContact CG-CG2 4.09Å; P181-V185 VanDerWaalsContact O-CG2 3.26Å; P181-V185 WeakPolarHBondContact O-CG2 3.2Å; P181-V185 PolarHBondContact O-N 2.93Å; P181-V185 VanDerWaalsContact O-N 3.14Å; L182-V185 CarbonylContact O-C 3.55Å; L182-V185 PolarHBondContact O-N 2.88Å; Y183-V185 VanDerWaalsContact C-N 3.28Å; Y183-V185 PolarHBondContact O-N 3.44Å; V185-H187 PolarHBondContact O-N 3.2Å; V185-D188 PolarHBondContact O-N 3Å; V185-D188 VanDerWaalsContact O-N 3.14Å; V185-G191 WeakPolarHBondContact CG1-O 3.46Å; V185-G191 VanDerWaalsContact O-CA 3.26Å; V185-G191 WeakPolarHBondContact O-CA 3.24Å; V185-K194 HydrophobicContact CG1-CB 4.02Å; V185-L195 HydrophobicContact CB-CD2 4.14Å; V185-L195 HydrophobicContact CG1-CD2 3.56Å; V185-L195 HydrophobicContact CG1-CG 3.82Å |
| 186 | V | 93.9 | Very high | 90.9 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.5 | -33.5 | 177.2 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | L182 Y183 L195 F199 F204 | L182-V186 WeakPolarHBondContact O-CB 3.28Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 3.08Å; Y183-V186 PolarHBondContact O-N 2.93Å; V186-L195 HydrophobicContact CG2-CD2 4.11Å; V186-F199 HydrophobicContact CG2-CE2 3.85Å; V186-F199 HydrophobicContact CG2-CZ 3.73Å; V186-F204 HydrophobicContact CB-CZ 4.38Å; V186-F204 HydrophobicContact CG1-CE1 4.24Å; V186-F204 HydrophobicContact CG2-CD1 4.48Å; V186-F204 HydrophobicContact CG2-CD2 4.48Å; V186-F204 HydrophobicContact CG2-CE1 4.23Å; V186-F204 HydrophobicContact CG2-CE2 4.24Å; V186-F204 HydrophobicContact CG2-CZ 4.1Å |
| 187 | H | 93.5 | Very high | 90.7 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 11.2 | -178.4 | -57.9 | -50.6 | 0 | 0 | 0 | 114.4 | Y183 V185 F281 M306 Y307 | Y183-H187 AromaticContact CD1-CD2 3.77Å; Y183-H187 AromaticContact CD2-CD2 3.62Å; Y183-H187 AromaticContact CD2-NE2 3.44Å; Y183-H187 WeakPolarHBondContact CD2-NE2 3.47Å; Y183-H187 AromaticContact CE1-CD2 3.58Å; Y183-H187 AromaticContact CE2-CD2 3.41Å; Y183-H187 VanDerWaalsContact CE2-CD2 3.41Å; Y183-H187 WeakPolarHBondContact CE2-CD2 3.11Å; Y183-H187 AromaticContact CE2-NE2 3.07Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.4Å; Y183-H187 AromaticContact CG-CD2 3.77Å; Y183-H187 AromaticContact CZ-CD2 3.35Å; Y183-H187 AromaticContact CZ-NE2 3.44Å; Y183-H187 PolarHBondContact O-CD2 3.32Å; Y183-H187 PolarHBondContact O-N 3.22Å; V185-H187 PolarHBondContact O-N 3.2Å; H187-F281 HydrophobicContact CB-CD2 4.09Å; H187-F281 HydrophobicContact CB-CE2 3.98Å; H187-M306 HydrophobicContact CB-CE 4.33Å; H187-M306 HydrophobicContact CB-SD 4.14Å; H187-Y307 AromaticContact CE1-CE2 3.25Å; H187-Y307 WeakPolarHBondContact CE1-CE2 3.45Å; H187-Y307 AromaticContact CE1-CZ 3.84Å; H187-Y307 AromaticContact ND1-CE2 3.14Å; H187-Y307 WeakPolarHBondContact ND1-CE2 3.13Å; H187-Y307 AromaticContact ND1-CZ 3.38Å; H187-Y307 PolarHBondContact ND1-OH 3.46Å |
| 188 | D | 90.9 | Very high | 90.7 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -93.7 | 137.3 | 169.2 | -179.2 | 29.6 | 0 | 0 | 0 | 110.3 | T43 S184 V185 N190 G191 K194 | T43-D188 HydrophobicContact CG2-CB 4.43Å; S184-D188 PolarHBondContact O-N 3.39Å; V185-D188 PolarHBondContact O-N 3Å; V185-D188 VanDerWaalsContact O-N 3.14Å; D188-N190 PolarHBondContact O-N 3.1Å; D188-N190 VanDerWaalsContact O-N 3.12Å; D188-G191 PolarHBondContact O-N 3.11Å; D188-K194 IonicContact OD2-NZ 2.91Å; D188-K194 PolarHBondContact OD2-NZ 2.96Å |
| 189 | A | 86.9 | Confident | 90.7 | Very high | 67 Ų | 67 | 44 Ų | 44 | 55% | 0.554 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V45 | V45-A189 HydrophobicContact CG2-CB 3.72Š|
| 190 | N | 84.2 | Confident | 90.7 | Very high | 109 Ų | 109 | 46.7 Ų | 46.7 | 58% | 0.583 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 10.4 | 177.2 | -63.8 | -47.5 | 0 | 0 | 0 | 112.7 | D188 F192 S193 | D188-N190 PolarHBondContact O-N 3.1Å; D188-N190 VanDerWaalsContact O-N 3.12Å; N190-F192 PolarHBondContact O-N 2.99Å; N190-S193 PolarHBondContact O-OG 2.7Å |
| 191 | G | 85.1 | Confident | 90.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -72.9 | -27.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | V185 D188 S193 K194 L195 | V185-G191 WeakPolarHBondContact CG1-O 3.46Å; V185-G191 VanDerWaalsContact O-CA 3.26Å; V185-G191 WeakPolarHBondContact O-CA 3.24Å; D188-G191 PolarHBondContact O-N 3.11Å; G191-S193 PolarHBondContact O-N 2.94Å; G191-S193 VanDerWaalsContact O-N 3.14Å; G191-K194 WeakPolarHBondContact O-CA 3.45Å; G191-K194 WeakPolarHBondContact O-CB 3.27Å; G191-K194 PolarHBondContact O-N 2.85Å; G191-L195 PolarHBondContact O-N 3.34Å |
| 192 | F | 85.5 | Confident | 91.1 | Very high | 176 Ų | 176 | 56.4 Ų | 56.4 | 77% | 0.772 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -53.8 | -40.4 | -180 | -173.9 | -97.5 | 0 | 0 | 0 | 113.2 | N190 K194 L195 | N190-F192 PolarHBondContact O-N 2.99Å; F192-K194 PolarHBondContact O-N 3.11Å; F192-L195 HydrophobicContact CD2-CD1 3.81Å; F192-L195 HydrophobicContact CE2-CD1 4.35Å; F192-L195 HydrophobicContact CG-CD1 4.46Å; F192-L195 PolarHBondContact O-N 2.7Å |
| 193 | S | 84.1 | Confident | 91.2 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -66.5 | -14.7 | 177.1 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | N190 G191 | N190-S193 PolarHBondContact O-OG 2.7Å; G191-S193 PolarHBondContact O-N 2.94Å; G191-S193 VanDerWaalsContact O-N 3.14Å |
| 194 | K | 85.2 | Confident | 91.3 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -104 | -0.4 | -178 | -52.5 | 172.2 | -171 | 162.3 | 0 | 112.2 | V185 D188 G191 F192 | V185-K194 HydrophobicContact CG1-CB 4.02Å; D188-K194 IonicContact OD2-NZ 2.91Å; D188-K194 PolarHBondContact OD2-NZ 2.96Å; G191-K194 WeakPolarHBondContact O-CA 3.45Å; G191-K194 WeakPolarHBondContact O-CB 3.27Å; G191-K194 PolarHBondContact O-N 2.85Å; F192-K194 PolarHBondContact O-N 3.11Å |
| 195 | L | 90 | Very high | 91.5 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -72 | 141.7 | 177.2 | -70 | 169.1 | 0 | 0 | 0 | 110.1 | L182 V185 V186 G191 F192 F199 | L182-L195 HydrophobicContact CD2-CD2 4.16Å; V185-L195 HydrophobicContact CB-CD2 4.14Å; V185-L195 HydrophobicContact CG1-CD2 3.56Å; V185-L195 HydrophobicContact CG1-CG 3.82Å; V186-L195 HydrophobicContact CG2-CD2 4.11Å; G191-L195 PolarHBondContact O-N 3.34Å; F192-L195 HydrophobicContact CD2-CD1 3.81Å; F192-L195 HydrophobicContact CE2-CD1 4.35Å; F192-L195 HydrophobicContact CG-CD1 4.46Å; F192-L195 PolarHBondContact O-N 2.7Å; L195-F199 HydrophobicContact CB-CB 4.21Å; L195-F199 HydrophobicContact CB-CD1 4.39Å; L195-F199 HydrophobicContact CB-CG 4.22Å; L195-F199 HydrophobicContact CD1-CD1 3.73Å; L195-F199 HydrophobicContact CD1-CE1 3.69Å; L195-F199 HydrophobicContact CD1-CG 4.19Å; L195-F199 HydrophobicContact CD1-CZ 4.1Å; L195-F199 HydrophobicContact CD2-CD1 4.41Å; L195-F199 HydrophobicContact CD2-CD2 3.84Å; L195-F199 HydrophobicContact CD2-CE2 3.92Å; L195-F199 HydrophobicContact CD2-CG 4.07Å; L195-F199 HydrophobicContact CD2-CZ 4.28Å; L195-F199 HydrophobicContact CG-CD1 4.41Å; L195-F199 HydrophobicContact CG-CG 4.39Å |
| 196 | P | 90.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | trans | -67.1 | 154.1 | 178 | 24.8 | -30.2 | 0 | 0 | 0 | 111.9 | F21 L182 W198 F199 | F21-P196 HydrophobicContact CB-CB 4.1Å; F21-P196 HydrophobicContact CB-CG 4.28Å; F21-P196 HydrophobicContact CD2-CG 4.19Å; F21-P196 HydrophobicContact CG-CB 4.49Å; F21-P196 HydrophobicContact CG-CG 4.13Å; L182-P196 HydrophobicContact CD2-CG 4.04Å; P196-W198 HydrophobicContact CB-CD2 4Å; P196-W198 VanDerWaalsContact CB-CE2 3.48Å; P196-W198 HydrophobicContact CB-CG 4.22Å; P196-W198 HydrophobicContact CB-CZ2 3.88Å; P196-W198 HydrophobicContact CG-CD2 3.84Å; P196-W198 HydrophobicContact CG-CE3 4.19Å; P196-W198 HydrophobicContact CG-CH2 3.74Å; P196-W198 HydrophobicContact CG-CZ2 3.36Å; P196-W198 HydrophobicContact CG-CZ3 4.14Å; P196-W198 PolarHBondContact O-N 2.88Å; P196-W198 VanDerWaalsContact O-N 3.09Å; P196-F199 HydrophobicContact CG-CB 4.15Å; P196-F199 WeakPolarHBondContact O-CB 3.32Å; P196-F199 PolarHBondContact O-N 3.31Å | ||
| 197 | K | 91.5 | Very high | 91.9 | Very high | 172 Ų | 172 | 63.8 Ų | 63.8 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.8 | -177.5 | -68.2 | 178.2 | 179.9 | 171 | 0 | 113.7 | F199 | K197-F199 VanDerWaalsContact C-N 3.34Š|
| 198 | W | 92.9 | Very high | 92.1 | Very high | 39 Ų | 39 | 65 Ų | 65 | 15% | 0.148 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.3 | 178.6 | 53.1 | -105.2 | 0 | 0 | 0 | 113.9 | F21 L161 E164 T165 V178 L182 P196 T200 L203 | F21-W198 HydrophobicContact CD1-CH2 4.17Å; F21-W198 AromaticContact CD1-CZ2 3.56Å; F21-W198 HydrophobicContact CD1-CZ2 3.56Å; F21-W198 AromaticContact CE1-CH2 3.97Å; F21-W198 HydrophobicContact CE1-CH2 3.97Å; F21-W198 AromaticContact CE1-CZ2 3.82Å; F21-W198 HydrophobicContact CE1-CZ2 3.82Å; F21-W198 HydrophobicContact CG-CZ2 4.17Å; F21-W198 HydrophobicContact CZ-CH2 4.48Å; L161-W198 HydrophobicContact CD2-CH2 4.45Å; L161-W198 HydrophobicContact CD2-CZ3 4.21Å; E164-W198 HydrophobicContact CB-CD2 4.11Å; E164-W198 HydrophobicContact CB-CG 3.9Å; E164-W198 HydrophobicContact CG-CB 4.08Å; E164-W198 HydrophobicContact CG-CD2 4.43Å; E164-W198 HydrophobicContact CG-CG 3.89Å; E164-W198 PolarHBondContact O-NE1 3.28Å; E164-W198 VanDerWaalsContact OE2-CD1 3.22Å; T165-W198 HydrophobicContact CG2-CH2 4.36Å; T165-W198 HydrophobicContact CG2-CZ2 3.79Å; V178-W198 HydrophobicContact CG1-CH2 4.06Å; L182-W198 HydrophobicContact CD1-CH2 3.95Å; L182-W198 HydrophobicContact CD1-CZ3 4.04Å; L182-W198 HydrophobicContact CD2-CH2 4.22Å; L182-W198 HydrophobicContact CG-CH2 4.45Å; P196-W198 HydrophobicContact CB-CD2 4Å; P196-W198 VanDerWaalsContact CB-CE2 3.48Å; P196-W198 HydrophobicContact CB-CG 4.22Å; P196-W198 HydrophobicContact CB-CZ2 3.88Å; P196-W198 HydrophobicContact CG-CD2 3.84Å; P196-W198 HydrophobicContact CG-CE3 4.19Å; P196-W198 HydrophobicContact CG-CH2 3.74Å; P196-W198 HydrophobicContact CG-CZ2 3.36Å; P196-W198 HydrophobicContact CG-CZ3 4.14Å; P196-W198 PolarHBondContact O-N 2.88Å; P196-W198 VanDerWaalsContact O-N 3.09Å; W198-T200 PolarHBondContact O-N 2.99Å; W198-L203 HydrophobicContact CE3-CD2 3.7Å; W198-L203 HydrophobicContact CZ3-CD2 4.01Å |
| 199 | F | 94.7 | Very high | 92.4 | Very high | 36 Ų | 36 | 67 Ų | 67 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | trans | -64.9 | 132.8 | 179.9 | 177.6 | -88.1 | 0 | 0 | 0 | 111.3 | L182 V186 L195 P196 K197 F204 | L182-F199 HydrophobicContact CD1-CD2 4.28Å; L182-F199 HydrophobicContact CD2-CD2 3.85Å; L182-F199 HydrophobicContact CD2-CE2 4.35Å; V186-F199 HydrophobicContact CG2-CE2 3.85Å; V186-F199 HydrophobicContact CG2-CZ 3.73Å; L195-F199 HydrophobicContact CB-CB 4.21Å; L195-F199 HydrophobicContact CB-CD1 4.39Å; L195-F199 HydrophobicContact CB-CG 4.22Å; L195-F199 HydrophobicContact CD1-CD1 3.73Å; L195-F199 HydrophobicContact CD1-CE1 3.69Å; L195-F199 HydrophobicContact CD1-CG 4.19Å; L195-F199 HydrophobicContact CD1-CZ 4.1Å; L195-F199 HydrophobicContact CD2-CD1 4.41Å; L195-F199 HydrophobicContact CD2-CD2 3.84Å; L195-F199 HydrophobicContact CD2-CE2 3.92Å; L195-F199 HydrophobicContact CD2-CG 4.07Å; L195-F199 HydrophobicContact CD2-CZ 4.28Å; L195-F199 HydrophobicContact CG-CD1 4.41Å; L195-F199 HydrophobicContact CG-CG 4.39Å; P196-F199 HydrophobicContact CG-CB 4.15Å; P196-F199 WeakPolarHBondContact O-CB 3.32Å; P196-F199 PolarHBondContact O-N 3.31Å; K197-F199 VanDerWaalsContact C-N 3.34Å; F199-F204 HydrophobicContact CD2-CB 4.47Å; F199-F204 HydrophobicContact CE2-CB 3.59Å; F199-F204 AromaticContact CE2-CD2 3.89Å; F199-F204 HydrophobicContact CE2-CD2 3.89Å; F199-F204 AromaticContact CE2-CG 3.79Å; F199-F204 HydrophobicContact CE2-CG 3.79Å; F199-F204 HydrophobicContact CZ-CB 3.86Å; F199-F204 HydrophobicContact CZ-CG 4.11Å | ||
| 200 | T | 95.9 | Very high | 92.9 | Very high | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | trans | -135.7 | 153.2 | 162.7 | 74.6 | 0 | 0 | 0 | 0 | 110 | W198 E202 L203 F204 | W198-T200 PolarHBondContact O-N 2.99Å; T200-E202 VanDerWaalsContact C-N 3.26Å; T200-E202 PolarHBondContact O-N 3.43Å; T200-E202 PolarHBondContact OG1-OE2 3.25Å; T200-L203 PolarHBondContact O-N 3Å; T200-L203 VanDerWaalsContact OG1-CB 3.3Å; T200-L203 WeakPolarHBondContact OG1-CB 3.42Å; T200-L203 PolarHBondContact OG1-N 3.48Å; T200-L203 VanDerWaalsContact OG1-N 3.15Å; T200-F204 WeakPolarHBondContact O-CB 3.44Å; T200-F204 PolarHBondContact O-N 3.21Å | ||
| 201 | P | 96.2 | Very high | 93.5 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.4 | -38.7 | 174.8 | -26 | 35.7 | 0 | 0 | 0 | 113.2 | F204 N205 | P201-F204 PolarHBondContact O-N 3.02Å; P201-N205 VanDerWaalsContact O-CG 3.22Å; P201-N205 PolarHBondContact O-N 3.3Å; P201-N205 PolarHBondContact O-ND2 3.27Å |
| 202 | E | 97.5 | Very high | 94 | Very high | 136 Ų | 136 | 60.2 Ų | 60.2 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 179.3 | -61.9 | 72.3 | -156.4 | 0 | 0 | 111.4 | T200 F204 N205 E206 | T200-E202 VanDerWaalsContact C-N 3.26Å; T200-E202 PolarHBondContact O-N 3.43Å; T200-E202 PolarHBondContact OG1-OE2 3.25Å; E202-F204 VanDerWaalsContact C-N 3.34Å; E202-N205 PolarHBondContact O-N 3.3Å; E202-E206 PolarHBondContact O-N 2.86Å |
| 203 | L | 96.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.9 | 176 | 61.5 | 0 | 0 | 0 | 111.1 | L157 W198 T200 E206 I207 | L157-L203 HydrophobicContact CD1-CD1 3.18Å; W198-L203 HydrophobicContact CE3-CD2 3.7Å; W198-L203 HydrophobicContact CZ3-CD2 4.01Å; T200-L203 PolarHBondContact O-N 3Å; T200-L203 VanDerWaalsContact OG1-CB 3.3Å; T200-L203 WeakPolarHBondContact OG1-CB 3.42Å; T200-L203 PolarHBondContact OG1-N 3.48Å; T200-L203 VanDerWaalsContact OG1-N 3.15Å; L203-E206 PolarHBondContact O-N 3.26Å; L203-I207 HydrophobicContact CD1-CD1 4.1Å; L203-I207 HydrophobicContact CD1-CG1 4.36Å; L203-I207 HydrophobicContact CG-CD1 3.87Å; L203-I207 VanDerWaalsContact O-CG1 3.26Å; L203-I207 WeakPolarHBondContact O-CG1 3.19Å; L203-I207 PolarHBondContact O-N 2.88Å |
| 204 | F | 97.1 | Very high | 95 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.6 | -178.6 | -111.8 | 0 | 0 | 0 | 112.2 | Y179 L182 Y183 V186 F199 T200 P201 E202 E206 I207 E208 | Y179-F204 HydrophobicContact CD2-CE2 4.26Å; Y179-F204 HydrophobicContact CE2-CE2 4.34Å; Y179-F204 HydrophobicContact CE2-CZ 4.27Å; L182-F204 HydrophobicContact CB-CD2 3.88Å; L182-F204 HydrophobicContact CB-CE2 3.68Å; L182-F204 HydrophobicContact CD1-CD2 4.07Å; Y183-F204 HydrophobicContact CD2-CZ 4.1Å; V186-F204 HydrophobicContact CB-CZ 4.38Å; V186-F204 HydrophobicContact CG1-CE1 4.24Å; V186-F204 HydrophobicContact CG2-CD1 4.48Å; V186-F204 HydrophobicContact CG2-CD2 4.48Å; V186-F204 HydrophobicContact CG2-CE1 4.23Å; V186-F204 HydrophobicContact CG2-CE2 4.24Å; V186-F204 HydrophobicContact CG2-CZ 4.1Å; F199-F204 HydrophobicContact CD2-CB 4.47Å; F199-F204 HydrophobicContact CE2-CB 3.59Å; F199-F204 AromaticContact CE2-CD2 3.89Å; F199-F204 HydrophobicContact CE2-CD2 3.89Å; F199-F204 AromaticContact CE2-CG 3.79Å; F199-F204 HydrophobicContact CE2-CG 3.79Å; F199-F204 HydrophobicContact CZ-CB 3.86Å; F199-F204 HydrophobicContact CZ-CG 4.11Å; T200-F204 WeakPolarHBondContact O-CB 3.44Å; T200-F204 PolarHBondContact O-N 3.21Å; P201-F204 PolarHBondContact O-N 3.02Å; E202-F204 VanDerWaalsContact C-N 3.34Å; F204-E206 VanDerWaalsContact C-N 3.31Å; F204-E206 PolarHBondContact O-N 3.48Å; F204-I207 PolarHBondContact O-N 2.88Å; F204-E208 VanDerWaalsContact O-CB 3.28Å; F204-E208 WeakPolarHBondContact O-CB 3.24Å; F204-E208 PolarHBondContact O-N 3.48Å |
| 205 | N | 96.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 176.4 | -68.4 | -20.6 | 0 | 0 | 0 | 112.4 | P201 E202 S209 | P201-N205 VanDerWaalsContact O-CG 3.22Å; P201-N205 PolarHBondContact O-N 3.3Å; P201-N205 PolarHBondContact O-ND2 3.27Å; E202-N205 PolarHBondContact O-N 3.3Å; N205-S209 WeakPolarHBondContact O-CB 3.42Å; N205-S209 PolarHBondContact O-N 3.12Å |
| 206 | E | 97.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.5 | -44.6 | 176.2 | -163.8 | -179.3 | 169.3 | 0 | 0 | 111.4 | H154 L157 E202 L203 F204 S209 L210 | H154-E206 IonicContact CD2-OE1 3.28Å; H154-E206 PolarHBondContact CD2-OE1 2.78Å; L157-E206 HydrophobicContact CD2-CB 4.49Å; L157-E206 HydrophobicContact CD2-CG 3.85Å; E202-E206 PolarHBondContact O-N 2.86Å; L203-E206 PolarHBondContact O-N 3.26Å; F204-E206 VanDerWaalsContact C-N 3.31Å; F204-E206 PolarHBondContact O-N 3.48Å; E206-S209 PolarHBondContact O-N 3.46Å; E206-L210 WeakPolarHBondContact O-CG 3.46Å; E206-L210 PolarHBondContact O-N 2.93Å; E206-L210 VanDerWaalsContact O-N 3.11Å |
| 207 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.8 | -68.5 | 165.9 | 0 | 0 | 0 | 110.9 | L157 L161 I175 V178 Y179 L182 L203 F204 L210 Y211 | L157-I207 HydrophobicContact CD1-CG1 4.49Å; L161-I207 HydrophobicContact CD1-CD1 4.26Å; L161-I207 HydrophobicContact CD1-CG1 4.1Å; L161-I207 HydrophobicContact CD2-CD1 3.98Å; I175-I207 HydrophobicContact CD1-CG1 4.45Å; I175-I207 HydrophobicContact CD1-CG2 4.2Å; I175-I207 HydrophobicContact CG1-CG2 4.09Å; V178-I207 HydrophobicContact CG1-CD1 4.04Å; V178-I207 HydrophobicContact CG1-CG2 4.48Å; Y179-I207 HydrophobicContact CD2-CG2 4.26Å; L182-I207 HydrophobicContact CD1-CD1 4Å; L203-I207 HydrophobicContact CD1-CD1 4.1Å; L203-I207 HydrophobicContact CD1-CG1 4.36Å; L203-I207 HydrophobicContact CG-CD1 3.87Å; L203-I207 VanDerWaalsContact O-CG1 3.26Å; L203-I207 WeakPolarHBondContact O-CG1 3.19Å; L203-I207 PolarHBondContact O-N 2.88Å; F204-I207 PolarHBondContact O-N 2.88Å; I207-L210 PolarHBondContact O-N 3.1Å; I207-Y211 PolarHBondContact O-N 3.18Å |
| 208 | E | 97.2 | Very high | 96 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 178.4 | 177.8 | 171.5 | -106 | 0 | 0 | 111.3 | Y179 F204 L210 Y211 H212 | Y179-E208 HydrophobicContact CD2-CB 4.04Å; Y179-E208 HydrophobicContact CD2-CG 4.44Å; Y179-E208 HydrophobicContact CE2-CB 3.65Å; Y179-E208 HydrophobicContact CE2-CG 3.6Å; F204-E208 VanDerWaalsContact O-CB 3.28Å; F204-E208 WeakPolarHBondContact O-CB 3.24Å; F204-E208 PolarHBondContact O-N 3.48Å; E208-L210 VanDerWaalsContact C-N 3.29Å; E208-L210 PolarHBondContact O-N 3.26Å; E208-Y211 PolarHBondContact O-N 2.93Å; E208-Y211 VanDerWaalsContact O-N 3.11Å; E208-H212 WeakPolarHBondContact CG-CE1 3.38Å; E208-H212 WeakPolarHBondContact CG-NE2 3.44Å; E208-H212 PolarHBondContact O-CD2 3.2Å; E208-H212 PolarHBondContact O-N 2.66Å; E208-H212 IonicContact OE1-CE1 3.52Å; E208-H212 IonicContact OE1-NE2 3.2Å |
| 209 | S | 96.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 40.9 Ų | 40.9 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 178 | -174 | 0 | 0 | 0 | 0 | 112.4 | N205 E206 T213 | N205-S209 WeakPolarHBondContact O-CB 3.42Å; N205-S209 PolarHBondContact O-N 3.12Å; E206-S209 PolarHBondContact O-N 3.46Å; S209-T213 WeakPolarHBondContact O-CB 3.42Å; S209-T213 PolarHBondContact O-N 3.37Å; S209-T213 PolarHBondContact O-OG1 2.88Å |
| 210 | L | 97.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 175.5 | -72.7 | 175.3 | 0 | 0 | 0 | 112.4 | L150 H154 L157 F158 L172 I175 E206 I207 E208 T213 S214 | L150-L210 HydrophobicContact CD1-CD2 4.21Å; L150-L210 HydrophobicContact CD2-CD2 4.06Å; L150-L210 HydrophobicContact CG-CD2 4.04Å; H154-L210 HydrophobicContact CB-CD1 4.16Å; L157-L210 HydrophobicContact CD2-CD1 3.46Å; L157-L210 VanDerWaalsContact CD2-CD1 3.46Å; F158-L210 HydrophobicContact CE2-CD1 4.03Å; L172-L210 HydrophobicContact CD1-CB 4.4Å; L172-L210 HydrophobicContact CD1-CD2 4.07Å; I175-L210 HydrophobicContact CG1-CB 4.24Å; E206-L210 WeakPolarHBondContact O-CG 3.46Å; E206-L210 PolarHBondContact O-N 2.93Å; E206-L210 VanDerWaalsContact O-N 3.11Å; I207-L210 PolarHBondContact O-N 3.1Å; E208-L210 VanDerWaalsContact C-N 3.29Å; E208-L210 PolarHBondContact O-N 3.26Å; L210-T213 PolarHBondContact O-N 3.33Å; L210-S214 WeakPolarHBondContact O-CB 3.15Å; L210-S214 PolarHBondContact O-N 2.83Å |
| 211 | Y | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | 175.3 | 174.3 | -111.4 | 0 | 0 | 0 | 111.7 | Y176 Y179 I207 E208 T213 S214 T215 H278 | Y176-Y211 HydrophobicContact CD2-CD2 4.15Å; Y176-Y211 AromaticContact CD2-CE2 3.4Å; Y176-Y211 HydrophobicContact CD2-CE2 3.4Å; Y176-Y211 AromaticContact CD2-CZ 3.87Å; Y176-Y211 HydrophobicContact CE2-CE2 4.27Å; Y176-Y211 HydrophobicContact CG-CE2 4.18Å; Y179-Y211 AromaticContact CD1-CD1 3.15Å; Y179-Y211 HydrophobicContact CD1-CD1 3.15Å; Y179-Y211 HydrophobicContact CD1-CD2 4.1Å; Y179-Y211 AromaticContact CD1-CE1 3.56Å; Y179-Y211 HydrophobicContact CD1-CE1 3.56Å; Y179-Y211 HydrophobicContact CD1-CE2 4.47Å; Y179-Y211 AromaticContact CD1-CG 3.43Å; Y179-Y211 HydrophobicContact CD1-CG 3.43Å; Y179-Y211 VanDerWaalsContact CD1-CG 3.43Å; Y179-Y211 HydrophobicContact CD2-CD1 4.43Å; Y179-Y211 AromaticContact CE1-CD1 3.04Å; Y179-Y211 HydrophobicContact CE1-CD1 3.04Å; Y179-Y211 AromaticContact CE1-CE1 3.26Å; Y179-Y211 HydrophobicContact CE1-CE1 3.26Å; Y179-Y211 AromaticContact CE1-CG 3.86Å; Y179-Y211 HydrophobicContact CE1-CG 3.86Å; Y179-Y211 HydrophobicContact CE2-CD1 4.34Å; Y179-Y211 AromaticContact CG-CD1 3.86Å; Y179-Y211 HydrophobicContact CG-CD1 3.86Å; Y179-Y211 AromaticContact CG-CG 3.81Å; Y179-Y211 HydrophobicContact CG-CG 3.81Å; Y179-Y211 AromaticContact CZ-CD1 3.66Å; I207-Y211 PolarHBondContact O-N 3.18Å; E208-Y211 PolarHBondContact O-N 2.93Å; E208-Y211 VanDerWaalsContact O-N 3.11Å; Y211-T213 VanDerWaalsContact C-N 3.28Å; Y211-T213 PolarHBondContact O-N 2.91Å; Y211-S214 WeakPolarHBondContact O-CB 3.26Å; Y211-S214 PolarHBondContact O-N 3.31Å; Y211-S214 VanDerWaalsContact O-N 3.11Å; Y211-T215 HydrophobicContact CD2-CG2 4.18Å; Y211-T215 HydrophobicContact CE1-CG2 4.08Å; Y211-T215 HydrophobicContact CE2-CG2 3.56Å; Y211-T215 PolarHBondContact O-N 2.89Å; Y211-H278 AromaticContact CE1-CE1 3.47Å; Y211-H278 VanDerWaalsContact CE1-CE1 3.47Å; Y211-H278 WeakPolarHBondContact CE1-CE1 3.37Å; Y211-H278 AromaticContact CE1-NE2 3.78Å |
| 212 | H | 96.5 | Very high | 96 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 177.3 | -64 | 177 | 0 | 0 | 0 | 110.5 | Y179 E208 S214 T215 T216 A275 H278 | Y179-H212 PolarHBondContact OH-NE2 2.89Å; E208-H212 WeakPolarHBondContact CG-CE1 3.38Å; E208-H212 WeakPolarHBondContact CG-NE2 3.44Å; E208-H212 PolarHBondContact O-CD2 3.2Å; E208-H212 PolarHBondContact O-N 2.66Å; E208-H212 IonicContact OE1-CE1 3.52Å; E208-H212 IonicContact OE1-NE2 3.2Å; H212-S214 PolarHBondContact O-N 3.03Å; H212-T215 PolarHBondContact O-N 2.9Å; H212-T215 PolarHBondContact O-OG1 2.89Å; H212-T216 PolarHBondContact O-N 3.24Å; H212-T216 PolarHBondContact O-OG1 2.99Å; H212-A275 HydrophobicContact CB-CB 4.4Å; H212-A275 PolarHBondContact ND1-O 3.29Å; H212-H278 AromaticContact CD2-CD2 3.75Å; H212-H278 AromaticContact CD2-CE1 3.89Å; H212-H278 AromaticContact CD2-CG 3.32Å; H212-H278 AromaticContact CD2-ND1 3.44Å; H212-H278 PolarHBondContact CD2-ND1 3.23Å; H212-H278 VanDerWaalsContact CE1-CB 3.47Å; H212-H278 WeakPolarHBondContact CE1-CB 3.45Å; H212-H278 AromaticContact CE1-CG 3.83Å; H212-H278 AromaticContact CG-CG 3.9Å; H212-H278 WeakPolarHBondContact NE2-CB 3.44Å; H212-H278 AromaticContact NE2-CD2 3.39Å; H212-H278 PolarHBondContact NE2-CD2 2.85Å; H212-H278 AromaticContact NE2-CG 3.28Å; H212-H278 VanDerWaalsContact NE2-CG 3.28Å; H212-H278 AromaticContact NE2-ND1 3.89Å |
| 213 | T | 95.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.2 | -58 | 0 | 0 | 0 | 0 | 112.2 | L150 S209 L210 Y211 T215 T216 F217 | L150-T213 HydrophobicContact CD2-CG2 3.69Å; S209-T213 WeakPolarHBondContact O-CB 3.42Å; S209-T213 PolarHBondContact O-N 3.37Å; S209-T213 PolarHBondContact O-OG1 2.88Å; L210-T213 PolarHBondContact O-N 3.33Å; Y211-T213 VanDerWaalsContact C-N 3.28Å; Y211-T213 PolarHBondContact O-N 2.91Å; T213-T215 PolarHBondContact O-N 3.32Å; T213-T216 WeakPolarHBondContact O-CB 3.49Å; T213-T216 PolarHBondContact O-N 2.85Å; T213-F217 HydrophobicContact CG2-CD2 4.14Å; T213-F217 HydrophobicContact CG2-CE2 3.76Å; T213-F217 VanDerWaalsContact O-CD2 3.32Å; T213-F217 WeakPolarHBondContact O-CD2 3.48Å; T213-F217 PolarHBondContact O-N 3.44Å |
| 214 | S | 94.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | Y137 D173 L210 Y211 H212 T216 F217 Y218 | Y137-S214 PolarHBondContact OH-OG 2.83Å; D173-S214 WeakPolarHBondContact CA-OG 3.47Å; L210-S214 WeakPolarHBondContact O-CB 3.15Å; L210-S214 PolarHBondContact O-N 2.83Å; Y211-S214 WeakPolarHBondContact O-CB 3.26Å; Y211-S214 PolarHBondContact O-N 3.31Å; Y211-S214 VanDerWaalsContact O-N 3.11Å; H212-S214 PolarHBondContact O-N 3.03Å; S214-T216 VanDerWaalsContact C-N 3.35Å; S214-T216 PolarHBondContact O-N 2.82Å; S214-F217 PolarHBondContact O-N 3.34Å; S214-Y218 PolarHBondContact O-N 3Å |
| 215 | T | 94.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | Y211 H212 T213 F217 Y218 Y219 | Y211-T215 HydrophobicContact CD2-CG2 4.18Å; Y211-T215 HydrophobicContact CE1-CG2 4.08Å; Y211-T215 HydrophobicContact CE2-CG2 3.56Å; Y211-T215 PolarHBondContact O-N 2.89Å; H212-T215 PolarHBondContact O-N 2.9Å; H212-T215 PolarHBondContact O-OG1 2.89Å; T213-T215 PolarHBondContact O-N 3.32Å; T215-F217 VanDerWaalsContact C-N 3.34Å; T215-F217 PolarHBondContact O-N 3.23Å; T215-Y218 PolarHBondContact O-N 2.86Å; T215-Y218 VanDerWaalsContact O-N 3.09Å; T215-Y219 WeakPolarHBondContact O-CD2 3.16Å; T215-Y219 PolarHBondContact O-N 3.45Å |
| 216 | T | 94.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 22% | 0.221 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.4 | -46.9 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | H212 T213 S214 Y218 Y219 S220 | H212-T216 PolarHBondContact O-N 3.24Å; H212-T216 PolarHBondContact O-OG1 2.99Å; T213-T216 WeakPolarHBondContact O-CB 3.49Å; T213-T216 PolarHBondContact O-N 2.85Å; S214-T216 VanDerWaalsContact C-N 3.35Å; S214-T216 PolarHBondContact O-N 2.82Å; T216-Y218 PolarHBondContact O-N 3.38Å; T216-Y218 VanDerWaalsContact O-N 3.14Å; T216-Y219 PolarHBondContact O-N 3.18Å; T216-S220 WeakPolarHBondContact O-CB 3.33Å; T216-S220 PolarHBondContact O-N 2.92Å; T216-S220 PolarHBondContact O-OG 3.17Å |
| 217 | F | 95.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 33.2 Ų | 33.2 | 25% | 0.25 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.3 | -34.3 | 178 | -82.8 | -66.3 | 0 | 0 | 0 | 113.6 | I141 P146 V147 L150 L172 T213 S214 T215 | I141-F217 HydrophobicContact CG2-CB 3.87Å; I141-F217 HydrophobicContact CG2-CD1 4.45Å; I141-F217 HydrophobicContact CG2-CG 4.45Å; P146-F217 HydrophobicContact CB-CE1 4.26Å; P146-F217 HydrophobicContact CB-CZ 4.18Å; V147-F217 HydrophobicContact CG2-CD1 4.01Å; V147-F217 HydrophobicContact CG2-CD2 3.87Å; V147-F217 HydrophobicContact CG2-CE1 3.91Å; V147-F217 HydrophobicContact CG2-CE2 3.76Å; V147-F217 HydrophobicContact CG2-CG 4Å; V147-F217 HydrophobicContact CG2-CZ 3.79Å; L150-F217 HydrophobicContact CD2-CE2 4.42Å; L172-F217 HydrophobicContact CD2-CD2 3.96Å; L172-F217 HydrophobicContact CD2-CE2 4.06Å; T213-F217 HydrophobicContact CG2-CD2 4.14Å; T213-F217 HydrophobicContact CG2-CE2 3.76Å; T213-F217 VanDerWaalsContact O-CD2 3.32Å; T213-F217 WeakPolarHBondContact O-CD2 3.48Å; T213-F217 PolarHBondContact O-N 3.44Å; S214-F217 PolarHBondContact O-N 3.34Å; T215-F217 VanDerWaalsContact C-N 3.34Å; T215-F217 PolarHBondContact O-N 3.23Å |
| 218 | Y | 94.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 33.5 Ų | 33.5 | 8% | 0.078 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.8 | -54 | 178.2 | -173.9 | -114.3 | 0 | 0 | 0 | 112.3 | D134 Y137 S214 T215 T216 S220 I224 R228 | D134-Y218 PolarHBondContact OD1-OH 3.26Å; Y137-Y218 HydrophobicContact CD1-CD2 4.07Å; Y137-Y218 HydrophobicContact CD1-CE2 4.24Å; Y137-Y218 AromaticContact CD2-CD2 3.32Å; Y137-Y218 HydrophobicContact CD2-CD2 3.32Å; Y137-Y218 HydrophobicContact CD2-CE2 4.14Å; Y137-Y218 HydrophobicContact CD2-CG 4.14Å; Y137-Y218 AromaticContact CE2-CD2 3.8Å; Y137-Y218 HydrophobicContact CE2-CD2 3.8Å; Y137-Y218 HydrophobicContact CE2-CG 4.19Å; Y137-Y218 AromaticContact CG-CD2 3.43Å; Y137-Y218 HydrophobicContact CG-CD2 3.43Å; Y137-Y218 VanDerWaalsContact CG-CD2 3.43Å; Y137-Y218 AromaticContact CG-CE2 3.76Å; Y137-Y218 HydrophobicContact CG-CE2 3.76Å; S214-Y218 PolarHBondContact O-N 3Å; T215-Y218 PolarHBondContact O-N 2.86Å; T215-Y218 VanDerWaalsContact O-N 3.09Å; T216-Y218 PolarHBondContact O-N 3.38Å; T216-Y218 VanDerWaalsContact O-N 3.14Å; Y218-S220 VanDerWaalsContact C-N 3.32Å; Y218-S220 PolarHBondContact O-N 3.01Å; Y218-I224 HydrophobicContact CD1-CG2 4.31Å; Y218-I224 HydrophobicContact CD2-CD1 3.71Å; Y218-I224 HydrophobicContact CD2-CG2 4.14Å; Y218-I224 HydrophobicContact CE1-CG2 4.01Å; Y218-I224 HydrophobicContact CE2-CD1 3.72Å; Y218-I224 HydrophobicContact CE2-CG2 3.88Å; Y218-I224 HydrophobicContact CG-CG2 4.4Å; Y218-I224 WeakPolarHBondContact O-CG2 3.44Å; Y218-R228 HydrophobicContact CE1-CG 3.95Å; Y218-R228 VanDerWaalsContact OH-CZ 3.29Å; Y218-R228 PolarHBondContact OH-NE 2.88Å; Y218-R228 PolarHBondContact OH-NH2 3.24Å |
| 219 | Y | 94.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -76.5 | -19.2 | -171.7 | -65.4 | -71 | 0 | 0 | 0 | 113.4 | V126 T215 T216 K225 R228 V261 I264 | V126-Y219 HydrophobicContact CG1-CE1 3.71Å; T215-Y219 WeakPolarHBondContact O-CD2 3.16Å; T215-Y219 PolarHBondContact O-N 3.45Å; T216-Y219 PolarHBondContact O-N 3.18Å; Y219-K225 WeakPolarHBondContact O-CB 3.39Å; Y219-K225 WeakPolarHBondContact O-CE 3.19Å; Y219-R228 HydrophobicContact CD1-CB 3.71Å; Y219-R228 HydrophobicContact CD1-CG 4.14Å; Y219-R228 HydrophobicContact CE1-CB 3.87Å; Y219-R228 HydrophobicContact CE1-CG 4.06Å; Y219-V261 HydrophobicContact CE1-CB 4.46Å; Y219-V261 HydrophobicContact CE2-CB 4.17Å; Y219-V261 HydrophobicContact CE2-CG1 3.93Å; Y219-V261 VanDerWaalsContact OH-CB 3.24Å; Y219-V261 WeakPolarHBondContact OH-CB 3.47Å; Y219-V261 VanDerWaalsContact OH-CG1 3.27Å; Y219-V261 WeakPolarHBondContact OH-CG1 3.41Å; Y219-I264 HydrophobicContact CD2-CB 4.43Å; Y219-I264 HydrophobicContact CD2-CG2 3.66Å; Y219-I264 HydrophobicContact CE2-CG2 4.45Å; Y219-I264 HydrophobicContact CG-CG2 3.87Å |
| 220 | S | 94.3 | Very high | 95 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 30% | 0.301 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -13 | 179.1 | 80.1 | 0 | 0 | 0 | 0 | 114.4 | T216 Y218 E222 K225 | T216-S220 WeakPolarHBondContact O-CB 3.33Å; T216-S220 PolarHBondContact O-N 2.92Å; T216-S220 PolarHBondContact O-OG 3.17Å; Y218-S220 VanDerWaalsContact C-N 3.32Å; Y218-S220 PolarHBondContact O-N 3.01Å; S220-E222 PolarHBondContact O-N 3Å; S220-K225 WeakPolarHBondContact O-CE 3.41Å; S220-K225 PolarHBondContact O-NZ 3.02Å |
| 221 | D | 95.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | trans | -68 | 122.3 | 179.1 | -174.1 | -61.6 | 0 | 0 | 0 | 110 | I141 R223 I224 K225 | I141-D221 HydrophobicContact CD1-CB 3.74Å; I141-D221 WeakPolarHBondContact CD1-OD2 2.97Å; D221-R223 PolarHBondContact O-N 3.02Å; D221-R223 VanDerWaalsContact OD1-CB 3.25Å; D221-R223 WeakPolarHBondContact OD1-CB 3.24Å; D221-R223 IonicContact OD1-CZ 3.7Å; D221-R223 PolarHBondContact OD1-N 3.41Å; D221-R223 IonicContact OD1-NE 2.84Å; D221-R223 PolarHBondContact OD1-NE 3.44Å; D221-R223 IonicContact OD1-NH2 2.68Å; D221-R223 IonicContact OD2-CZ 3.83Å; D221-R223 IonicContact OD2-NE 2.8Å; D221-R223 IonicContact OD2-NH2 3.22Å; D221-R223 PolarHBondContact OD2-NH2 2.78Å; D221-I224 HydrophobicContact CB-CB 4.29Å; D221-I224 HydrophobicContact CB-CD1 4.22Å; D221-I224 HydrophobicContact CB-CG1 4.27Å; D221-I224 PolarHBondContact O-N 2.85Å; D221-K225 VanDerWaalsContact O-CB 3.3Å; D221-K225 WeakPolarHBondContact O-CB 3.46Å; D221-K225 PolarHBondContact O-N 3.25Å | ||
| 222 | E | 94.6 | Very high | 94.9 | Very high | 135 Ų | 135 | 29 Ų | 29 | 63% | 0.631 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.1 | -175.3 | -65.3 | -59.3 | 137.9 | 0 | 0 | 114.2 | S220 K225 P226 | S220-E222 PolarHBondContact O-N 3Å; E222-K225 IonicContact OE1-NZ 3.14Å; E222-K225 PolarHBondContact OE1-NZ 3.14Å; E222-P226 VanDerWaalsContact O-CD 3.23Å; E222-P226 WeakPolarHBondContact O-CD 3.48Å |
| 223 | R | 94.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 28 Ų | 28 | 36% | 0.355 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -19.6 | 178.5 | -54.9 | 166.5 | -68.2 | 176.5 | -3.7 | 112.8 | I136 E140 D221 | I136-R223 HydrophobicContact CD1-CB 3.72Å; I136-R223 VanDerWaalsContact CG2-NH2 3.27Å; E140-R223 IonicContact OE1-NH1 2.71Å; E140-R223 IonicContact OE2-CZ 3.8Å; E140-R223 IonicContact OE2-NH1 3.76Å; E140-R223 PolarHBondContact OE2-NH1 3.39Å; E140-R223 IonicContact OE2-NH2 2.98Å; E140-R223 PolarHBondContact OE2-NH2 3.08Å; D221-R223 PolarHBondContact O-N 3.02Å; D221-R223 VanDerWaalsContact OD1-CB 3.25Å; D221-R223 WeakPolarHBondContact OD1-CB 3.24Å; D221-R223 IonicContact OD1-CZ 3.7Å; D221-R223 PolarHBondContact OD1-N 3.41Å; D221-R223 IonicContact OD1-NE 2.84Å; D221-R223 PolarHBondContact OD1-NE 3.44Å; D221-R223 IonicContact OD1-NH2 2.68Å; D221-R223 IonicContact OD2-CZ 3.83Å; D221-R223 IonicContact OD2-NE 2.8Å; D221-R223 IonicContact OD2-NH2 3.22Å; D221-R223 PolarHBondContact OD2-NH2 2.78Å |
| 224 | I | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -38.7 | -179.3 | -62.8 | 179.6 | 0 | 0 | 0 | 110.6 | A133 I136 I141 Y218 D221 L227 R228 | A133-I224 HydrophobicContact CB-CG1 4.15Å; A133-I224 HydrophobicContact CB-CG2 4.17Å; I136-I224 HydrophobicContact CB-CD1 4.19Å; I136-I224 HydrophobicContact CB-CG1 4.4Å; I136-I224 HydrophobicContact CD1-CG1 4.48Å; I136-I224 HydrophobicContact CG2-CD1 3.92Å; I136-I224 HydrophobicContact CG2-CG1 4.24Å; I141-I224 HydrophobicContact CD1-CD1 3.58Å; Y218-I224 HydrophobicContact CD1-CG2 4.31Å; Y218-I224 HydrophobicContact CD2-CD1 3.71Å; Y218-I224 HydrophobicContact CD2-CG2 4.14Å; Y218-I224 HydrophobicContact CE1-CG2 4.01Å; Y218-I224 HydrophobicContact CE2-CD1 3.72Å; Y218-I224 HydrophobicContact CE2-CG2 3.88Å; Y218-I224 HydrophobicContact CG-CG2 4.4Å; Y218-I224 WeakPolarHBondContact O-CG2 3.44Å; D221-I224 HydrophobicContact CB-CB 4.29Å; D221-I224 HydrophobicContact CB-CD1 4.22Å; D221-I224 HydrophobicContact CB-CG1 4.27Å; D221-I224 PolarHBondContact O-N 2.85Å; I224-L227 WeakPolarHBondContact O-CA 3.28Å; I224-L227 WeakPolarHBondContact O-CB 3.27Å; I224-L227 PolarHBondContact O-N 3.18Å; I224-R228 HydrophobicContact CG2-CG 3.69Å; I224-R228 PolarHBondContact O-N 3.04Å |
| 225 | K | 93.3 | Very high | 95 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 11% | 0.109 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -49.2 | -45.3 | -176.2 | -179.3 | -176.1 | -59.6 | 172.5 | 0 | 114 | Y219 S220 D221 E222 L227 R228 E268 N269 | Y219-K225 WeakPolarHBondContact O-CB 3.39Å; Y219-K225 WeakPolarHBondContact O-CE 3.19Å; S220-K225 WeakPolarHBondContact O-CE 3.41Å; S220-K225 PolarHBondContact O-NZ 3.02Å; D221-K225 VanDerWaalsContact O-CB 3.3Å; D221-K225 WeakPolarHBondContact O-CB 3.46Å; D221-K225 PolarHBondContact O-N 3.25Å; E222-K225 IonicContact OE1-NZ 3.14Å; E222-K225 PolarHBondContact OE1-NZ 3.14Å; K225-L227 PolarHBondContact O-N 3.05Å; K225-L227 VanDerWaalsContact O-N 3.16Å; K225-R228 PolarHBondContact O-N 3.05Å; K225-R228 VanDerWaalsContact O-N 3.09Å; K225-E268 IonicContact NZ-OE2 2.72Å; K225-N269 PolarHBondContact O-ND2 3.36Å; K225-N269 VanDerWaalsContact O-ND2 3.14Å; K225-N269 PolarHBondContact O-OD1 3.1Å |
| 226 | P | 93 | Very high | 95.2 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 20% | 0.195 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.5 | 174 | -27.9 | 38.2 | 0 | 0 | 0 | 115.3 | E222 A230 Q335 E337 | E222-P226 VanDerWaalsContact O-CD 3.23Å; E222-P226 WeakPolarHBondContact O-CD 3.48Å; P226-A230 VanDerWaalsContact O-CB 3.25Å; P226-A230 WeakPolarHBondContact O-CB 3.38Å; P226-Q335 WeakPolarHBondContact CB-O 3.44Å; P226-E337 HydrophobicContact CB-CG 4.34Å |
| 227 | L | 95 | Very high | 95.4 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -93.3 | -5.3 | -179.7 | -63.8 | 167.3 | 0 | 0 | 0 | 112.7 | Y132 A133 I224 K225 E337 W340 R343 | Y132-L227 HydrophobicContact CD1-CD1 3.75Å; Y132-L227 HydrophobicContact CE1-CD1 4.26Å; A133-L227 HydrophobicContact CB-CD1 4.18Å; I224-L227 WeakPolarHBondContact O-CA 3.28Å; I224-L227 WeakPolarHBondContact O-CB 3.27Å; I224-L227 PolarHBondContact O-N 3.18Å; K225-L227 PolarHBondContact O-N 3.05Å; K225-L227 VanDerWaalsContact O-N 3.16Å; L227-E337 HydrophobicContact CD2-CB 4.39Å; L227-E337 HydrophobicContact CD2-CG 3.94Å; L227-W340 HydrophobicContact CD2-CG 4.32Å; L227-W340 PolarHBondContact O-NE1 3.33Å; L227-R343 HydrophobicContact CD1-CG 4.37Å; L227-R343 HydrophobicContact CD2-CB 4.17Å; L227-R343 HydrophobicContact CD2-CG 3.75Å |
| 228 | R | 95.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 89.7 | -172.6 | -61 | -61.4 | -178.4 | -154.4 | 3.4 | 110.9 | V126 L128 D134 Y218 Y219 I224 K225 G265 N269 | V126-R228 HydrophobicContact CG1-CB 3.96Å; V126-R228 HydrophobicContact CG1-CG 4.47Å; V126-R228 WeakPolarHBondContact O-CD 3.48Å; V126-R228 PolarHBondContact O-NH1 3.2Å; L128-R228 PolarHBondContact O-NH1 3.39Å; L128-R228 PolarHBondContact O-NH2 3.47Å; L128-R228 VanDerWaalsContact O-NH2 3.11Å; D134-R228 IonicContact OD1-NH2 2.73Å; Y218-R228 HydrophobicContact CE1-CG 3.95Å; Y218-R228 VanDerWaalsContact OH-CZ 3.29Å; Y218-R228 PolarHBondContact OH-NE 2.88Å; Y218-R228 PolarHBondContact OH-NH2 3.24Å; Y219-R228 HydrophobicContact CD1-CB 3.71Å; Y219-R228 HydrophobicContact CD1-CG 4.14Å; Y219-R228 HydrophobicContact CE1-CB 3.87Å; Y219-R228 HydrophobicContact CE1-CG 4.06Å; I224-R228 HydrophobicContact CG2-CG 3.69Å; I224-R228 PolarHBondContact O-N 3.04Å; K225-R228 PolarHBondContact O-N 3.05Å; K225-R228 VanDerWaalsContact O-N 3.09Å; R228-G265 WeakPolarHBondContact O-CA 3.46Å; R228-N269 PolarHBondContact O-ND2 3.14Å |
| 229 | G | 94.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 28 Ų | 28 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -18.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q231 L232 L233 | G229-Q231 VanDerWaalsContact C-N 3.3Å; G229-Q231 PolarHBondContact O-N 3.37Å; G229-L232 WeakPolarHBondContact O-CB 3.04Å; G229-L232 PolarHBondContact O-N 2.87Å; G229-L232 VanDerWaalsContact O-N 3.16Å; G229-L233 PolarHBondContact O-N 2.97Å |
| 230 | A | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P226 L232 L233 Q234 N269 Q335 | P226-A230 VanDerWaalsContact O-CB 3.25Å; P226-A230 WeakPolarHBondContact O-CB 3.38Å; A230-L232 VanDerWaalsContact C-N 3.33Å; A230-L232 PolarHBondContact O-N 2.79Å; A230-L233 PolarHBondContact O-N 3.31Å; A230-Q234 WeakPolarHBondContact O-CB 3.48Å; A230-Q234 PolarHBondContact O-N 2.82Å; A230-N269 WeakPolarHBondContact CB-OD1 3.33Å; A230-N269 PolarHBondContact N-ND2 2.9Å; A230-Q335 HydrophobicContact CB-CB 4.45Å |
| 231 | Q | 95 | Very high | 96 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 176.5 | -70.5 | -168.1 | -40.4 | 0 | 0 | 112.7 | S122 V123 G229 L235 | S122-Q231 PolarHBondContact O-OE1 2.56Å; S122-Q231 PolarHBondContact OG-OE1 3.49Å; V123-Q231 HydrophobicContact CG2-CB 4.34Å; G229-Q231 VanDerWaalsContact C-N 3.3Å; G229-Q231 PolarHBondContact O-N 3.37Å; Q231-L235 PolarHBondContact O-N 2.03Å |
| 232 | L | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | 171.9 | 176.5 | 53.1 | 0 | 0 | 0 | 110.6 | V7 V123 L124 G229 A230 Q234 L235 L236 Y256 T262 L266 | V7-L232 HydrophobicContact CG1-CD2 3.96Å; V7-L232 HydrophobicContact CG2-CD2 4.15Å; V123-L232 HydrophobicContact CG1-CB 4.27Å; V123-L232 HydrophobicContact CG1-CD1 4.37Å; L124-L232 HydrophobicContact CD2-CD1 3.65Å; L124-L232 HydrophobicContact CD2-CD2 4.18Å; L124-L232 HydrophobicContact CD2-CG 4.44Å; G229-L232 WeakPolarHBondContact O-CB 3.04Å; G229-L232 PolarHBondContact O-N 2.87Å; G229-L232 VanDerWaalsContact O-N 3.16Å; A230-L232 VanDerWaalsContact C-N 3.33Å; A230-L232 PolarHBondContact O-N 2.79Å; L232-Q234 VanDerWaalsContact C-N 3.28Å; L232-Q234 PolarHBondContact O-N 2.95Å; L232-L235 HydrophobicContact CD1-CD2 4.33Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 3.39Å; L232-L235 VanDerWaalsContact O-N 3.14Å; L232-L236 HydrophobicContact CD1-CD1 4.11Å; L232-L236 HydrophobicContact CD1-CG 4.17Å; L232-L236 HydrophobicContact CG-CD1 4.03Å; L232-L236 WeakPolarHBondContact O-CD1 3.4Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.27Å; L232-L236 PolarHBondContact O-N 3.09Å; L232-Y256 HydrophobicContact CD1-CD2 4.44Å; L232-T262 HydrophobicContact CD2-CG2 3.6Å; L232-L266 HydrophobicContact CD2-CD2 4.19Å; L232-L266 HydrophobicContact CG-CD1 4.49Å; L232-L266 HydrophobicContact CG-CD2 4.5Å |
| 233 | L | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 176.4 | -169.5 | 56.7 | 0 | 0 | 0 | 111.1 | G229 A230 L235 L236 A237 L266 N269 M270 F328 T332 | G229-L233 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 3.31Å; L233-L235 PolarHBondContact O-N 2.92Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-A237 PolarHBondContact O-N 3.14Å; L233-L266 HydrophobicContact CB-CD1 3.67Å; L233-L266 HydrophobicContact CD1-CD1 3.65Å; L233-L266 HydrophobicContact CG-CD1 4.13Å; L233-N269 HydrophobicContact CD2-CB 3.71Å; L233-M270 HydrophobicContact CD1-CG 3.64Å; L233-M270 HydrophobicContact CD1-SD 3.84Å; L233-M270 HydrophobicContact CD2-CG 3.8Å; L233-M270 HydrophobicContact CG-CG 4.38Å; L233-F328 HydrophobicContact CD1-CZ 4.11Å; L233-T332 VanDerWaalsContact C-CG2 3.49Å; L233-T332 HydrophobicContact CB-CG2 4.25Å; L233-T332 HydrophobicContact CD1-CG2 4.3Å; L233-T332 HydrophobicContact CD2-CG2 4.22Å; L233-T332 HydrophobicContact CG-CG2 3.55Å; L233-T332 WeakPolarHBondContact O-CG2 3.38Å |
| 234 | Q | 95.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 23.4 Ų | 23.4 | 19% | 0.187 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 175.2 | -179.3 | 157.6 | -26.3 | 0 | 0 | 112.9 | A230 L232 A237 V238 S336 | A230-Q234 WeakPolarHBondContact O-CB 3.48Å; A230-Q234 PolarHBondContact O-N 2.82Å; L232-Q234 VanDerWaalsContact C-N 3.28Å; L232-Q234 PolarHBondContact O-N 2.95Å; Q234-A237 PolarHBondContact O-N 2.84Å; Q234-V238 HydrophobicContact CG-CG2 4.4Å; Q234-V238 WeakPolarHBondContact O-CB 3.01Å; Q234-V238 VanDerWaalsContact O-CG2 3.28Å; Q234-V238 WeakPolarHBondContact O-CG2 3.44Å; Q234-V238 PolarHBondContact O-N 2.91Å; Q234-S336 VanDerWaalsContact CD-OG 3.22Å; Q234-S336 PolarHBondContact OE1-OG 2.99Å |
| 235 | L | 96.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.257 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.1 | 171.9 | 62.6 | 0 | 0 | 0 | 111.3 | V123 Q231 L232 L233 A237 V238 Q239 Y256 | V123-L235 HydrophobicContact CG1-CB 4.44Å; V123-L235 HydrophobicContact CG1-CD2 3.89Å; Q231-L235 PolarHBondContact O-N 2.03Å; L232-L235 HydrophobicContact CD1-CD2 4.33Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 3.39Å; L232-L235 VanDerWaalsContact O-N 3.14Å; L233-L235 PolarHBondContact O-N 2.92Å; L235-A237 PolarHBondContact O-N 2.66Å; L235-V238 PolarHBondContact O-N 3.33Å; L235-Q239 HydrophobicContact CD1-CG 4.26Å; L235-Q239 WeakPolarHBondContact O-CG 3.42Å; L235-Q239 PolarHBondContact O-N 3.41Å; L235-Y256 HydrophobicContact CD2-CE1 3.98Å |
| 236 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | -179.9 | -63.7 | 162.9 | 0 | 0 | 0 | 111.1 | E5 V7 L232 L233 V238 Q239 I240 Y256 L266 I287 | E5-L236 HydrophobicContact CB-CD2 3.54Å; E5-L236 HydrophobicContact CG-CD2 4.14Å; E5-L236 WeakPolarHBondContact OE1-CA 3.34Å; V7-L236 HydrophobicContact CG2-CD1 4.24Å; V7-L236 HydrophobicContact CG2-CD2 4.49Å; L232-L236 HydrophobicContact CD1-CD1 4.11Å; L232-L236 HydrophobicContact CD1-CG 4.17Å; L232-L236 HydrophobicContact CG-CD1 4.03Å; L232-L236 WeakPolarHBondContact O-CD1 3.4Å; L232-L236 VanDerWaalsContact O-CG 3.27Å; L232-L236 WeakPolarHBondContact O-CG 3.27Å; L232-L236 PolarHBondContact O-N 3.09Å; L233-L236 PolarHBondContact O-N 2.86Å; L236-V238 PolarHBondContact O-N 2.82Å; L236-Q239 PolarHBondContact O-N 3Å; L236-I240 PolarHBondContact O-N 2.79Å; L236-Y256 HydrophobicContact CD2-CD2 4.14Å; L236-Y256 HydrophobicContact CD2-CE2 3.64Å; L236-L266 HydrophobicContact CD1-CD1 4.02Å; L236-L266 HydrophobicContact CD1-CD2 4.03Å; L236-I287 HydrophobicContact CB-CD1 4.39Å; L236-I287 HydrophobicContact CD1-CD1 3.87Å |
| 237 | A | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L233 Q234 L235 K241 F328 V329 T332 I333 | L233-A237 PolarHBondContact O-N 3.14Å; Q234-A237 PolarHBondContact O-N 2.84Å; L235-A237 PolarHBondContact O-N 2.66Å; A237-K241 WeakPolarHBondContact O-CB 3.33Å; A237-K241 PolarHBondContact O-N 2.82Å; A237-F328 HydrophobicContact CB-CE1 4.17Å; A237-V329 HydrophobicContact CB-CG2 4.39Å; A237-T332 HydrophobicContact CB-CG2 3.32Å; A237-I333 HydrophobicContact CB-CG1 4.21Å |
| 238 | V | 97.2 | Very high | 97.2 | Very high | 52 Ų | 52 | 34.9 Ų | 34.9 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.5 | -41 | 175.6 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | Q234 L235 L236 K241 D242 | Q234-V238 HydrophobicContact CG-CG2 4.4Å; Q234-V238 WeakPolarHBondContact O-CB 3.01Å; Q234-V238 VanDerWaalsContact O-CG2 3.28Å; Q234-V238 WeakPolarHBondContact O-CG2 3.44Å; Q234-V238 PolarHBondContact O-N 2.91Å; L235-V238 PolarHBondContact O-N 3.33Å; L236-V238 PolarHBondContact O-N 2.82Å; V238-K241 WeakPolarHBondContact O-CB 3.3Å; V238-K241 PolarHBondContact O-N 2.98Å; V238-D242 WeakPolarHBondContact O-CB 3.4Å; V238-D242 PolarHBondContact O-N 3.34Å |
| 239 | Q | 98.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 39 Ų | 39 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 177 | -76 | 173.2 | -33.7 | 0 | 0 | 112 | L3 E5 L235 L236 K241 D242 K243 F254 Y256 | L3-Q239 HydrophobicContact CD2-CB 4.49Å; E5-Q239 WeakPolarHBondContact OE1-CB 3.45Å; E5-Q239 PolarHBondContact OE1-OE1 3.08Å; L235-Q239 HydrophobicContact CD1-CG 4.26Å; L235-Q239 WeakPolarHBondContact O-CG 3.42Å; L235-Q239 PolarHBondContact O-N 3.41Å; L236-Q239 PolarHBondContact O-N 3Å; Q239-K241 PolarHBondContact O-N 2.88Å; Q239-D242 PolarHBondContact O-N 2.98Å; Q239-K243 WeakPolarHBondContact O-CB 3.25Å; Q239-K243 PolarHBondContact O-N 3.33Å; Q239-F254 HydrophobicContact CB-CD2 4.23Å; Q239-F254 HydrophobicContact CB-CE2 4Å; Q239-F254 HydrophobicContact CG-CD2 4.25Å; Q239-F254 HydrophobicContact CG-CE2 3.96Å; Q239-F254 HydrophobicContact CG-CZ 4.21Å; Q239-F254 VanDerWaalsContact NE2-CD1 3.33Å; Q239-Y256 PolarHBondContact NE2-OH 2.9Å; Q239-Y256 PolarHBondContact OE1-OH 3.37Å |
| 240 | I | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 171 | -72.1 | 169.6 | 0 | 0 | 0 | 111.3 | L3 L236 D242 K243 I244 I287 L289 V298 A325 F328 V329 | L3-I240 HydrophobicContact CD2-CG1 4.32Å; L236-I240 PolarHBondContact O-N 2.79Å; I240-D242 VanDerWaalsContact C-N 3.33Å; I240-D242 PolarHBondContact O-N 3.28Å; I240-K243 PolarHBondContact O-N 3.29Å; I240-I244 HydrophobicContact CG2-CD1 3.91Å; I240-I244 WeakPolarHBondContact O-CG1 3.36Å; I240-I244 PolarHBondContact O-N 3.4Å; I240-I287 HydrophobicContact CD1-CG2 3.88Å; I240-L289 HydrophobicContact CG2-CD1 4.04Å; I240-L289 HydrophobicContact CG2-CD2 4.24Å; I240-V298 HydrophobicContact CD1-CG2 4.06Å; I240-A325 HydrophobicContact CG2-CB 4.21Å; I240-F328 HydrophobicContact CD1-CD1 3.86Å; I240-F328 HydrophobicContact CD1-CE1 3.66Å; I240-V329 HydrophobicContact CG2-CG2 4.27Å |
| 241 | K | 98 | Very high | 97.6 | Very high | 108 Ų | 108 | 41 Ų | 41 | 47% | 0.47 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 178.3 | -179 | -178.7 | 176.8 | -178.8 | 0 | 112.1 | A237 V238 Q239 I244 S245 I333 | A237-K241 WeakPolarHBondContact O-CB 3.33Å; A237-K241 PolarHBondContact O-N 2.82Å; V238-K241 WeakPolarHBondContact O-CB 3.3Å; V238-K241 PolarHBondContact O-N 2.98Å; Q239-K241 PolarHBondContact O-N 2.88Å; K241-I244 PolarHBondContact O-N 3.09Å; K241-S245 WeakPolarHBondContact O-CB 3.39Å; K241-S245 PolarHBondContact O-N 2.86Å; K241-S245 PolarHBondContact O-OG 3.02Å; K241-I333 HydrophobicContact CD-CD1 4.35Å |
| 242 | D | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.3 | -31.5 | 179.9 | -76.6 | -6.4 | 0 | 0 | 0 | 111.7 | V238 Q239 I240 S245 G246 K247 I248 | V238-D242 WeakPolarHBondContact O-CB 3.4Å; V238-D242 PolarHBondContact O-N 3.34Å; Q239-D242 PolarHBondContact O-N 2.98Å; I240-D242 VanDerWaalsContact C-N 3.33Å; I240-D242 PolarHBondContact O-N 3.28Å; D242-S245 WeakPolarHBondContact CA-OG 3.32Å; D242-S245 PolarHBondContact O-OG 2.95Å; D242-G246 PolarHBondContact O-N 2.94Å; D242-K247 HydrophobicContact CB-CB 4.13Å; D242-K247 HydrophobicContact CB-CD 4.28Å; D242-K247 PolarHBondContact O-N 3.33Å; D242-K247 WeakPolarHBondContact OD1-CD 3.34Å; D242-K247 IonicContact OD1-NZ 3.93Å; D242-K247 PolarHBondContact OD1-NZ 3.47Å; D242-I248 HydrophobicContact CB-CD1 4.13Å; D242-I248 HydrophobicContact CB-CG1 3.95Å; D242-I248 PolarHBondContact O-N 2.83Å |
| 243 | K | 98.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 42 Ų | 42 | 12% | 0.122 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -49.2 | 170.5 | -178.4 | 66.9 | 179 | -164 | 0 | 111.8 | L2 L3 Q239 I240 S245 G246 I248 P249 A251 L289 | L2-K243 WeakPolarHBondContact O-CE 2.98Å; L2-K243 PolarHBondContact O-NZ 2.84Å; L3-K243 HydrophobicContact CB-CG 4.18Å; L3-K243 HydrophobicContact CD2-CB 4.14Å; Q239-K243 WeakPolarHBondContact O-CB 3.25Å; Q239-K243 PolarHBondContact O-N 3.33Å; I240-K243 PolarHBondContact O-N 3.29Å; K243-S245 VanDerWaalsContact C-N 3.32Å; K243-S245 PolarHBondContact O-N 3.48Å; K243-G246 PolarHBondContact O-N 3.23Å; K243-G246 VanDerWaalsContact O-N 3.14Å; K243-I248 HydrophobicContact CB-CD1 4.38Å; K243-I248 HydrophobicContact CB-CG1 4.19Å; K243-I248 WeakPolarHBondContact CD-O 3.3Å; K243-P249 PolarHBondContact NZ-O 2.62Å; K243-A251 PolarHBondContact NZ-O 3.39Å; K243-L289 HydrophobicContact CB-CD2 4.18Å; K243-L289 HydrophobicContact CG-CD2 3.91Å |
| 244 | I | 98.1 | Very high | 98 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 180 | -66.8 | 169.5 | 0 | 0 | 0 | 111.3 | I240 K241 G246 L289 Y296 A325 | I240-I244 HydrophobicContact CG2-CD1 3.91Å; I240-I244 WeakPolarHBondContact O-CG1 3.36Å; I240-I244 PolarHBondContact O-N 3.4Å; K241-I244 PolarHBondContact O-N 3.09Å; I244-G246 PolarHBondContact O-N 3.16Å; I244-L289 HydrophobicContact CD1-CD1 4.16Å; I244-L289 HydrophobicContact CD1-CD2 4.44Å; I244-L289 HydrophobicContact CG1-CD1 4.47Å; I244-L289 HydrophobicContact CG1-CD2 3.98Å; I244-Y296 HydrophobicContact CD1-CD1 4.24Å; I244-Y296 HydrophobicContact CD1-CD2 4.45Å; I244-Y296 HydrophobicContact CD1-CG 3.96Å; I244-Y296 HydrophobicContact CG1-CD1 3.83Å; I244-Y296 HydrophobicContact CG1-CD2 4.46Å; I244-Y296 HydrophobicContact CG1-CE1 4.11Å; I244-Y296 HydrophobicContact CG1-CG 4Å; I244-Y296 HydrophobicContact CG2-CD2 4.04Å; I244-Y296 HydrophobicContact CG2-CE1 4.43Å; I244-Y296 HydrophobicContact CG2-CE2 3.86Å; I244-Y296 HydrophobicContact CG2-CG 4.43Å; I244-A325 HydrophobicContact CD1-CB 3.56Å |
| 245 | S | 97.6 | Very high | 98.1 | Very high | 71 Ų | 71 | 41 Ų | 41 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -4.6 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | K241 D242 K243 | K241-S245 WeakPolarHBondContact O-CB 3.39Å; K241-S245 PolarHBondContact O-N 2.86Å; K241-S245 PolarHBondContact O-OG 3.02Å; D242-S245 WeakPolarHBondContact CA-OG 3.32Å; D242-S245 PolarHBondContact O-OG 2.95Å; K243-S245 VanDerWaalsContact C-N 3.32Å; K243-S245 PolarHBondContact O-N 3.48Å |
| 246 | G | 97.7 | Very high | 98.3 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 45% | 0.454 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 16.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D242 K243 I244 P249 | D242-G246 PolarHBondContact O-N 2.94Å; K243-G246 PolarHBondContact O-N 3.23Å; K243-G246 VanDerWaalsContact O-N 3.14Å; I244-G246 PolarHBondContact O-N 3.16Å; G246-P249 WeakPolarHBondContact O-CD 3.33Å |
| 247 | K | 98.4 | Very high | 98.3 | Very high | 140 Ų | 140 | 38.8 Ų | 38.8 | 61% | 0.609 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -74.7 | -32.3 | 175.2 | -68.5 | -177.7 | -164.9 | 162.7 | 0 | 113 | D242 P249 | D242-K247 HydrophobicContact CB-CB 4.13Å; D242-K247 HydrophobicContact CB-CD 4.28Å; D242-K247 PolarHBondContact O-N 3.33Å; D242-K247 WeakPolarHBondContact OD1-CD 3.34Å; D242-K247 IonicContact OD1-NZ 3.93Å; D242-K247 PolarHBondContact OD1-NZ 3.47Å; K247-P249 WeakPolarHBondContact O-CD 3.34Å |
| 248 | I | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -121 | 61.2 | 175.8 | 54.9 | 170.2 | 0 | 0 | 0 | 110.8 | D242 K243 A250 A251 F254 | D242-I248 HydrophobicContact CB-CD1 4.13Å; D242-I248 HydrophobicContact CB-CG1 3.95Å; D242-I248 PolarHBondContact O-N 2.83Å; K243-I248 HydrophobicContact CB-CD1 4.38Å; K243-I248 HydrophobicContact CB-CG1 4.19Å; K243-I248 WeakPolarHBondContact CD-O 3.3Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 2.71Å; I248-A251 HydrophobicContact CB-CB 4.01Å; I248-A251 HydrophobicContact CD1-CB 4.03Å; I248-A251 HydrophobicContact CG1-CB 4.26Å; I248-A251 PolarHBondContact O-N 2.8Å; I248-F254 HydrophobicContact CD1-CE2 3.85Å; I248-F254 HydrophobicContact CD1-CZ 3.91Å |
| 249 | P | 97.7 | Very high | 98.4 | Very high | 94 Ų | 94 | 36.6 Ų | 36.6 | 61% | 0.61 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -64.4 | -33 | -168.2 | 27.2 | -34.2 | 0 | 0 | 0 | 112.9 | K243 G246 K247 | K243-P249 PolarHBondContact NZ-O 2.62Å; G246-P249 WeakPolarHBondContact O-CD 3.33Å; K247-P249 WeakPolarHBondContact O-CD 3.34Å |
| 250 | A | 98.2 | Very high | 98.3 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -78.1 | -27.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E71 E72 I248 K252 | E71-A250 HydrophobicContact CB-CB 3.94Å; E71-A250 CarbonylContact O-C 3.55Å; E72-A250 WeakPolarHBondContact CG-O 3.37Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 2.71Å; A250-K252 PolarHBondContact O-N 2.8Å |
| 251 | A | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | trans | -59.6 | 129.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3 K243 I248 F254 | L3-A251 HydrophobicContact CD1-CB 4.43Å; K243-A251 PolarHBondContact NZ-O 3.39Å; I248-A251 HydrophobicContact CB-CB 4.01Å; I248-A251 HydrophobicContact CD1-CB 4.03Å; I248-A251 HydrophobicContact CG1-CB 4.26Å; I248-A251 PolarHBondContact O-N 2.8Å; A251-F254 HydrophobicContact CB-CE2 4.09Å; A251-F254 HydrophobicContact CB-CZ 3.98Å | ||
| 252 | K | 98.8 | Very high | 98.2 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 21% | 0.213 | 18% | 0.184 | C | C | . | . | trans | -124.6 | -28.1 | 177.9 | -69.4 | -170.4 | -170.1 | 157.3 | 0 | 113 | T4 F64 L65 E72 A250 | T4-K252 WeakPolarHBondContact CG2-O 3.48Å; T4-K252 PolarHBondContact N-O 3.28Å; F64-K252 HydrophobicContact CD2-CD 4.47Å; F64-K252 HydrophobicContact CE1-CB 3.7Å; F64-K252 HydrophobicContact CE1-CD 4.26Å; F64-K252 HydrophobicContact CE1-CG 4.2Å; F64-K252 WeakPolarHBondContact CE1-O 3.22Å; F64-K252 HydrophobicContact CE2-CB 4.45Å; F64-K252 HydrophobicContact CE2-CD 3.92Å; F64-K252 HydrophobicContact CE2-CG 4.06Å; F64-K252 HydrophobicContact CZ-CB 3.53Å; F64-K252 HydrophobicContact CZ-CD 3.8Å; F64-K252 HydrophobicContact CZ-CG 3.58Å; F64-K252 PolarHBondContact O-NZ 3Å; L65-K252 HydrophobicContact CD1-CB 4.26Å; L65-K252 HydrophobicContact CD1-CD 4.16Å; E72-K252 HydrophobicContact CB-CB 4.18Å; E72-K252 HydrophobicContact CB-CD 4.4Å; E72-K252 HydrophobicContact CB-CG 4.23Å; E72-K252 VanDerWaalsContact CD-CE 3.43Å; E72-K252 HydrophobicContact CG-CD 4.36Å; E72-K252 HydrophobicContact CG-CG 4.39Å; E72-K252 PolarHBondContact O-N 3.07Å; E72-K252 WeakPolarHBondContact OE1-CE 3.45Å; E72-K252 IonicContact OE1-NZ 3.66Å; E72-K252 PolarHBondContact OE1-NZ 3.36Å; E72-K252 WeakPolarHBondContact OE2-CD 3.43Å; E72-K252 WeakPolarHBondContact OE2-CE 3.39Å; E72-K252 IonicContact OE2-NZ 3.73Å; E72-K252 PolarHBondContact OE2-NZ 2.9Å; A250-K252 PolarHBondContact O-N 2.8Å | ||
| 253 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 126.8 | -176.9 | -177.6 | -89 | 0 | 0 | 0 | 112.6 | T4 V6 W8 L65 E72 V73 Y74 V75 M94 | T4-F253 HydrophobicContact CG2-CB 4.41Å; T4-F253 HydrophobicContact CG2-CD2 3.67Å; T4-F253 HydrophobicContact CG2-CE2 4.49Å; T4-F253 HydrophobicContact CG2-CG 4.5Å; T4-F253 VanDerWaalsContact O-CA 3.3Å; T4-F253 WeakPolarHBondContact O-CA 3.32Å; V6-F253 HydrophobicContact CB-CE2 4.13Å; V6-F253 HydrophobicContact CB-CZ 4.18Å; V6-F253 HydrophobicContact CG2-CD2 4.36Å; V6-F253 HydrophobicContact CG2-CE2 3.5Å; V6-F253 HydrophobicContact CG2-CZ 4.07Å; W8-F253 HydrophobicContact CH2-CZ 4.48Å; W8-F253 HydrophobicContact CZ3-CZ 4.18Å; L65-F253 HydrophobicContact CD2-CB 3.49Å; L65-F253 VanDerWaalsContact CD2-CB 3.49Å; L65-F253 HydrophobicContact CD2-CD2 4.24Å; L65-F253 HydrophobicContact CD2-CG 4.08Å; E72-F253 PolarHBondContact O-N 3.17Å; V73-F253 HydrophobicContact CG1-CD1 3.99Å; V73-F253 HydrophobicContact CG2-CB 4.37Å; Y74-F253 PolarHBondContact N-O 2.72Å; V75-F253 HydrophobicContact CG2-CD1 4.43Å; V75-F253 HydrophobicContact CG2-CE1 4.01Å; M94-F253 HydrophobicContact CE-CD2 3.64Å; M94-F253 HydrophobicContact CE-CE2 3.6Å; M94-F253 HydrophobicContact CE-CG 4.28Å; M94-F253 HydrophobicContact CE-CZ 4.18Å; M94-F253 HydrophobicContact SD-CD2 4.34Å; M94-F253 HydrophobicContact SD-CE1 4.34Å; M94-F253 HydrophobicContact SD-CE2 3.78Å; M94-F253 HydrophobicContact SD-CZ 3.78Å |
| 254 | F | 98.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.4 | 163.7 | -68.2 | -73 | 0 | 0 | 0 | 109.7 | L3 T4 E5 V6 Y74 Q239 I248 A251 Y256 | L3-F254 HydrophobicContact CD1-CD2 3.72Å; L3-F254 HydrophobicContact CD1-CE2 3.75Å; L3-F254 HydrophobicContact CD2-CD2 4.28Å; L3-F254 HydrophobicContact CD2-CE2 4.24Å; L3-F254 HydrophobicContact CG-CD2 4.41Å; T4-F254 PolarHBondContact O-N 3.2Å; E5-F254 CarbonylContact C-O 3.54Å; E5-F254 VanDerWaalsContact CA-O 3.29Å; E5-F254 WeakPolarHBondContact CA-O 3.35Å; E5-F254 HydrophobicContact CB-CB 4.41Å; E5-F254 HydrophobicContact CG-CB 4.29Å; E5-F254 HydrophobicContact CG-CD2 4.24Å; V6-F254 PolarHBondContact N-O 3.13Å; Y74-F254 AromaticContact CD1-CD1 3.74Å; Y74-F254 HydrophobicContact CD1-CD1 3.74Å; Y74-F254 HydrophobicContact CD1-CE1 4.18Å; Y74-F254 HydrophobicContact CG-CD1 4.07Å; Y74-F254 HydrophobicContact CG-CE1 4.17Å; Y74-F254 CarbonylContact O-C 3.59Å; Y74-F254 WeakPolarHBondContact O-CA 3.32Å; Q239-F254 HydrophobicContact CB-CD2 4.23Å; Q239-F254 HydrophobicContact CB-CE2 4Å; Q239-F254 HydrophobicContact CG-CD2 4.25Å; Q239-F254 HydrophobicContact CG-CE2 3.96Å; Q239-F254 HydrophobicContact CG-CZ 4.21Å; Q239-F254 VanDerWaalsContact NE2-CD1 3.33Å; I248-F254 HydrophobicContact CD1-CE2 3.85Å; I248-F254 HydrophobicContact CD1-CZ 3.91Å; A251-F254 HydrophobicContact CB-CE2 4.09Å; A251-F254 HydrophobicContact CB-CZ 3.98Å; F254-Y256 HydrophobicContact CB-CE2 3.78Å |
| 255 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V6 W8 Y74 V75 R76 | V6-G255 CarbonylContact O-C 3.52Å; V6-G255 WeakPolarHBondContact O-CA 3.36Å; W8-G255 VanDerWaalsContact CZ3-CA 3.45Å; Y74-G255 PolarHBondContact O-N 3.32Å; V75-G255 CarbonylContact C-O 3.6Å; V75-G255 WeakPolarHBondContact CA-O 3.49Å; R76-G255 PolarHBondContact N-O 3.19Å |
| 256 | Y | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 108.8 | -178.4 | -57.4 | -70.5 | 0 | 0 | 0 | 111.5 | V6 V7 W8 R76 L124 L232 L235 L236 Q239 F254 | V6-Y256 PolarHBondContact O-N 3.4Å; V7-Y256 WeakPolarHBondContact CA-O 3.4Å; V7-Y256 HydrophobicContact CG2-CD2 3.89Å; V7-Y256 HydrophobicContact CG2-CG 4.42Å; W8-Y256 PolarHBondContact N-O 2.96Å; R76-Y256 HydrophobicContact CB-CD1 4.12Å; R76-Y256 HydrophobicContact CB-CE1 4.29Å; R76-Y256 VanDerWaalsContact O-CA 3.27Å; R76-Y256 WeakPolarHBondContact O-CA 3.25Å; L124-Y256 HydrophobicContact CD1-CD1 3.99Å; L124-Y256 HydrophobicContact CD2-CD1 3.82Å; L124-Y256 HydrophobicContact CD2-CG 4.17Å; L232-Y256 HydrophobicContact CD1-CD2 4.44Å; L235-Y256 HydrophobicContact CD2-CE1 3.98Å; L236-Y256 HydrophobicContact CD2-CD2 4.14Å; L236-Y256 HydrophobicContact CD2-CE2 3.64Å; Q239-Y256 PolarHBondContact NE2-OH 2.9Å; Q239-Y256 PolarHBondContact OE1-OH 3.37Å; F254-Y256 HydrophobicContact CB-CE2 3.78Å |
| 257 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.7 | 176.2 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | W8 R76 S77 T78 T83 | W8-S257 PolarHBondContact NE1-OG 3.17Å; W8-S257 VanDerWaalsContact NE1-OG 3.08Å; R76-S257 PolarHBondContact O-N 3.39Å; S77-S257 WeakPolarHBondContact CA-O 3.32Å; S77-S257 PolarHBondContact OG-O 3.18Å; T78-S257 PolarHBondContact N-O 3.03Å; T78-S257 VanDerWaalsContact N-O 3.1Å; T83-S257 PolarHBondContact O-OG 3.18Å |
| 258 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | -149.3 | -161.9 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | V7 W8 H10 L124 T262 | V7-T258 HydrophobicContact CG1-CG2 4.14Å; W8-T258 WeakPolarHBondContact O-CA 3.29Å; W8-T258 PolarHBondContact O-N 3.39Å; W8-T258 PolarHBondContact O-OG1 2.96Å; H10-T258 PolarHBondContact CD2-O 3.09Å; H10-T258 PolarHBondContact N-O 2.89Å; L124-T258 HydrophobicContact CB-CG2 4.2Å; L124-T258 HydrophobicContact CD2-CG2 4.21Å; T258-T262 HydrophobicContact CG2-CG2 3.95Å |
| 259 | H | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 12.8 Ų | 12.8 | 3% | 0.032 | 8% | 0.076 | C | C | . | . | trans | -126.4 | 164 | -173.6 | -56.1 | -81.3 | 0 | 0 | 0 | 110.6 | H10 T78 Y125 V261 T262 I263 | H10-H259 AromaticContact CD2-CE1 3.94Å; H10-H259 AromaticContact CD2-ND1 3.39Å; H10-H259 PolarHBondContact CD2-ND1 3.46Å; H10-H259 AromaticContact NE2-ND1 3.55Å; T78-H259 PolarHBondContact OG1-NE2 3.01Å; Y125-H259 AromaticContact CD2-CD2 3.96Å; Y125-H259 AromaticContact CD2-NE2 3.68Å; Y125-H259 AromaticContact CE2-NE2 3.82Å; H259-V261 VanDerWaalsContact C-N 3.32Å; H259-V261 HydrophobicContact CB-CG2 4.15Å; H259-V261 PolarHBondContact O-N 2.92Å; H259-T262 WeakPolarHBondContact O-CB 3.48Å; H259-T262 PolarHBondContact O-N 3.07Å; H259-T262 VanDerWaalsContact O-N 3.1Å; H259-I263 PolarHBondContact O-N 3.37Å | ||
| 260 | D | 97 | Very high | 97.6 | Very high | 10 Ų | 10 | 8.4 Ų | 8.4 | 5% | 0.053 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -47 | -54.5 | 169.9 | 31.4 | 30.5 | 0 | 0 | 0 | 111.4 | R9 T262 I263 I264 | R9-D260 IonicContact CZ-OD2 3.91Å; R9-D260 IonicContact NE-OD2 3.08Å; R9-D260 PolarHBondContact NE-OD2 3.18Å; R9-D260 VanDerWaalsContact NE-OD2 3.12Å; R9-D260 IonicContact NH2-OD2 3.98Å; R9-D260 PolarHBondContact NH2-OD2 3.34Å; D260-T262 PolarHBondContact O-N 2.86Å; D260-I263 WeakPolarHBondContact O-CA 3.49Å; D260-I263 WeakPolarHBondContact O-CB 3.33Å; D260-I263 PolarHBondContact O-N 2.94Å; D260-I264 WeakPolarHBondContact O-CG1 3.4Å; D260-I264 PolarHBondContact O-N 3.42Å |
| 261 | V | 96.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 12.2 Ų | 12.2 | 8% | 0.079 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64 | -24.4 | -177.8 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | V126 P127 Y219 H259 G265 | V126-V261 HydrophobicContact CB-CG2 4.45Å; P127-V261 HydrophobicContact CG-CG2 3.68Å; Y219-V261 HydrophobicContact CE1-CB 4.46Å; Y219-V261 HydrophobicContact CE2-CB 4.17Å; Y219-V261 HydrophobicContact CE2-CG1 3.93Å; Y219-V261 VanDerWaalsContact OH-CB 3.24Å; Y219-V261 WeakPolarHBondContact OH-CB 3.47Å; Y219-V261 VanDerWaalsContact OH-CG1 3.27Å; Y219-V261 WeakPolarHBondContact OH-CG1 3.41Å; H259-V261 VanDerWaalsContact C-N 3.32Å; H259-V261 HydrophobicContact CB-CG2 4.15Å; H259-V261 PolarHBondContact O-N 2.92Å; V261-G265 PolarHBondContact O-N 3.15Å |
| 262 | T | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 173.2 | -56 | 0 | 0 | 0 | 0 | 110.3 | L124 V126 L232 T258 H259 D260 L266 | L124-T262 PolarHBondContact O-OG1 2.97Å; V126-T262 HydrophobicContact CG2-CG2 3.98Å; L232-T262 HydrophobicContact CD2-CG2 3.6Å; T258-T262 HydrophobicContact CG2-CG2 3.95Å; H259-T262 WeakPolarHBondContact O-CB 3.48Å; H259-T262 PolarHBondContact O-N 3.07Å; H259-T262 VanDerWaalsContact O-N 3.1Å; D260-T262 PolarHBondContact O-N 2.86Å; T262-L266 WeakPolarHBondContact O-CB 3.5Å; T262-L266 PolarHBondContact O-N 2.59Å |
| 263 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 174.2 | -66.5 | -177.4 | 0 | 0 | 0 | 110.6 | V7 R9 H259 D260 L266 L267 P279 A283 I285 Y302 | V7-I263 HydrophobicContact CG1-CG1 4.45Å; R9-I263 HydrophobicContact CB-CD1 4.04Å; H259-I263 PolarHBondContact O-N 3.37Å; D260-I263 WeakPolarHBondContact O-CA 3.49Å; D260-I263 WeakPolarHBondContact O-CB 3.33Å; D260-I263 PolarHBondContact O-N 2.94Å; I263-L266 PolarHBondContact O-N 2.93Å; I263-L267 HydrophobicContact CG2-CD1 3.92Å; I263-L267 HydrophobicContact CG2-CG 4.37Å; I263-L267 WeakPolarHBondContact O-CG 3.37Å; I263-L267 PolarHBondContact O-N 3.2Å; I263-P279 HydrophobicContact CB-CB 4.12Å; I263-P279 HydrophobicContact CB-CG 3.7Å; I263-P279 HydrophobicContact CD1-CB 4.2Å; I263-P279 HydrophobicContact CG2-CB 3.88Å; I263-P279 HydrophobicContact CG2-CG 3.39Å; I263-A283 HydrophobicContact CD1-CB 3.92Å; I263-A283 WeakPolarHBondContact CD1-O 3.49Å; I263-I285 HydrophobicContact CB-CD1 4.46Å; I263-I285 HydrophobicContact CG2-CD1 3.7Å; I263-I285 HydrophobicContact CG2-CG1 4.17Å; I263-Y302 HydrophobicContact CG2-CE2 3.92Å |
| 264 | I | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.6 | -52.4 | 175.6 | -61.7 | 172.6 | 0 | 0 | 0 | 110.2 | Y219 D260 L266 L267 E268 Y273 P279 | Y219-I264 HydrophobicContact CD2-CB 4.43Å; Y219-I264 HydrophobicContact CD2-CG2 3.66Å; Y219-I264 HydrophobicContact CE2-CG2 4.45Å; Y219-I264 HydrophobicContact CG-CG2 3.87Å; D260-I264 WeakPolarHBondContact O-CG1 3.4Å; D260-I264 PolarHBondContact O-N 3.42Å; I264-L266 VanDerWaalsContact C-N 3.27Å; I264-L266 PolarHBondContact O-N 2.88Å; I264-L267 PolarHBondContact O-N 2.82Å; I264-E268 HydrophobicContact CG2-CG 4.27Å; I264-E268 WeakPolarHBondContact O-CB 3.29Å; I264-E268 WeakPolarHBondContact O-CG 3.36Å; I264-E268 PolarHBondContact O-N 2.99Å; I264-Y273 HydrophobicContact CB-CE2 4.18Å; I264-Y273 HydrophobicContact CG1-CE2 3.73Å; I264-Y273 HydrophobicContact CG2-CD1 4.23Å; I264-Y273 HydrophobicContact CG2-CD2 4.17Å; I264-Y273 HydrophobicContact CG2-CE1 3.92Å; I264-Y273 HydrophobicContact CG2-CE2 3.9Å; I264-Y273 HydrophobicContact CG2-CG 4.32Å; I264-P279 HydrophobicContact CG1-CG 3.94Å |
| 265 | G | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.3 | -38 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R228 V261 N269 | R228-G265 WeakPolarHBondContact O-CA 3.46Å; V261-G265 PolarHBondContact O-N 3.15Å; G265-N269 PolarHBondContact O-N 2.67Å; G265-N269 VanDerWaalsContact O-N 3.08Å; G265-N269 PolarHBondContact O-ND2 2.99Å |
| 266 | L | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 176.3 | -173.5 | 56 | 0 | 0 | 0 | 112 | V7 L232 L233 L236 T262 I263 I264 N269 M270 I285 | V7-L266 HydrophobicContact CB-CD2 4.2Å; V7-L266 HydrophobicContact CG1-CD2 4.36Å; V7-L266 HydrophobicContact CG2-CD2 3.88Å; L232-L266 HydrophobicContact CD2-CD2 4.19Å; L232-L266 HydrophobicContact CG-CD1 4.49Å; L232-L266 HydrophobicContact CG-CD2 4.5Å; L233-L266 HydrophobicContact CB-CD1 3.67Å; L233-L266 HydrophobicContact CD1-CD1 3.65Å; L233-L266 HydrophobicContact CG-CD1 4.13Å; L236-L266 HydrophobicContact CD1-CD1 4.02Å; L236-L266 HydrophobicContact CD1-CD2 4.03Å; T262-L266 WeakPolarHBondContact O-CB 3.5Å; T262-L266 PolarHBondContact O-N 2.59Å; I263-L266 PolarHBondContact O-N 2.93Å; I264-L266 VanDerWaalsContact C-N 3.27Å; I264-L266 PolarHBondContact O-N 2.88Å; L266-N269 PolarHBondContact O-N 3.14Å; L266-M270 HydrophobicContact CD1-CE 4.38Å; L266-M270 HydrophobicContact CG-CE 3.91Å; L266-M270 PolarHBondContact O-N 3.48Å; L266-M270 VanDerWaalsContact O-N 3.16Å; L266-I285 HydrophobicContact CB-CD1 4.3Å; L266-I285 HydrophobicContact CD2-CD1 3.86Å; L266-I285 HydrophobicContact CG-CD1 4.12Å |
| 267 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.6 | -68.9 | 170.4 | 0 | 0 | 0 | 112.1 | I263 I264 M270 Q271 L272 Y273 M277 I285 Y302 L314 | I263-L267 HydrophobicContact CG2-CD1 3.92Å; I263-L267 HydrophobicContact CG2-CG 4.37Å; I263-L267 WeakPolarHBondContact O-CG 3.37Å; I263-L267 PolarHBondContact O-N 3.2Å; I264-L267 PolarHBondContact O-N 2.82Å; L267-M270 HydrophobicContact CD2-CE 4.2Å; L267-M270 CarbonylContact O-C 3.57Å; L267-M270 PolarHBondContact O-N 3.16Å; L267-Q271 PolarHBondContact O-N 2.84Å; L267-L272 HydrophobicContact CB-CB 4.49Å; L267-L272 HydrophobicContact CD2-CB 4.01Å; L267-L272 PolarHBondContact O-N 2.8Å; L267-Y273 HydrophobicContact CB-CD2 4.06Å; L267-Y273 HydrophobicContact CB-CG 4.37Å; L267-Y273 HydrophobicContact CD1-CD2 3.91Å; L267-M277 HydrophobicContact CD1-CE 4.47Å; L267-I285 HydrophobicContact CD1-CD1 4.4Å; L267-I285 HydrophobicContact CD2-CD1 3.69Å; L267-I285 HydrophobicContact CD2-CG1 4.29Å; L267-I285 HydrophobicContact CG-CD1 3.72Å; L267-Y302 HydrophobicContact CD1-CE2 4.3Å; L267-L314 HydrophobicContact CD2-CD1 3.76Å |
| 268 | E | 95.5 | Very high | 95.3 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 177.1 | -83.3 | -71.9 | 174.4 | 0 | 0 | 112 | K225 I264 M270 Q271 Y273 | K225-E268 IonicContact NZ-OE2 2.72Å; I264-E268 HydrophobicContact CG2-CG 4.27Å; I264-E268 WeakPolarHBondContact O-CB 3.29Å; I264-E268 WeakPolarHBondContact O-CG 3.36Å; I264-E268 PolarHBondContact O-N 2.99Å; E268-M270 PolarHBondContact O-N 3.32Å; E268-Q271 PolarHBondContact O-N 3.26Å; E268-Y273 HydrophobicContact CG-CD1 4.06Å; E268-Y273 HydrophobicContact CG-CG 4.06Å; E268-Y273 WeakPolarHBondContact OE1-CD1 3.48Å |
| 269 | N | 95.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.3 | -24.7 | 176.6 | -79.7 | -81.4 | 0 | 0 | 0 | 112.7 | K225 R228 A230 L233 G265 L266 Q335 | K225-N269 PolarHBondContact O-ND2 3.36Å; K225-N269 VanDerWaalsContact O-ND2 3.14Å; K225-N269 PolarHBondContact O-OD1 3.1Å; R228-N269 PolarHBondContact O-ND2 3.14Å; A230-N269 WeakPolarHBondContact CB-OD1 3.33Å; A230-N269 PolarHBondContact N-ND2 2.9Å; L233-N269 HydrophobicContact CD2-CB 3.71Å; G265-N269 PolarHBondContact O-N 2.67Å; G265-N269 VanDerWaalsContact O-N 3.08Å; G265-N269 PolarHBondContact O-ND2 2.99Å; L266-N269 PolarHBondContact O-N 3.14Å; N269-Q335 PolarHBondContact O-NE2 3.04Å; N269-Q335 PolarHBondContact O-OE1 3.24Å |
| 270 | M | 95.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.6 | 169.5 | -69 | -172.3 | -65.7 | 0 | 0 | 114.1 | L233 L266 L267 E268 L272 I285 I287 V300 L316 F328 | L233-M270 HydrophobicContact CD1-CG 3.64Å; L233-M270 HydrophobicContact CD1-SD 3.84Å; L233-M270 HydrophobicContact CD2-CG 3.8Å; L233-M270 HydrophobicContact CG-CG 4.38Å; L266-M270 HydrophobicContact CD1-CE 4.38Å; L266-M270 HydrophobicContact CG-CE 3.91Å; L266-M270 PolarHBondContact O-N 3.48Å; L266-M270 VanDerWaalsContact O-N 3.16Å; L267-M270 HydrophobicContact CD2-CE 4.2Å; L267-M270 CarbonylContact O-C 3.57Å; L267-M270 PolarHBondContact O-N 3.16Å; E268-M270 PolarHBondContact O-N 3.32Å; M270-L272 VanDerWaalsContact C-N 3.25Å; M270-L272 HydrophobicContact CB-CB 4.43Å; M270-L272 HydrophobicContact CB-CD1 3.81Å; M270-L272 HydrophobicContact CB-CG 4.02Å; M270-L272 HydrophobicContact CE-CD1 4.15Å; M270-L272 PolarHBondContact O-N 3.38Å; M270-L272 HydrophobicContact SD-CD1 4.3Å; M270-I285 HydrophobicContact CE-CD1 4.45Å; M270-I287 HydrophobicContact SD-CD1 4.49Å; M270-V300 HydrophobicContact CE-CG1 4.29Å; M270-V300 HydrophobicContact SD-CG1 4.4Å; M270-V300 HydrophobicContact SD-CG2 4.4Å; M270-L316 HydrophobicContact CB-CD2 3.86Å; M270-L316 HydrophobicContact CG-CD2 4.11Å; M270-L316 HydrophobicContact SD-CD2 4.08Å; M270-F328 HydrophobicContact SD-CE2 4.45Å |
| 271 | Q | 94.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 25.7 Ų | 25.7 | 54% | 0.537 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 35 | -174.6 | -55.8 | 175.3 | 20.4 | 0 | 0 | 113.6 | L267 E268 P317 | L267-Q271 PolarHBondContact O-N 2.84Å; E268-Q271 PolarHBondContact O-N 3.26Å; Q271-P317 HydrophobicContact CB-CG 3.92Å; Q271-P317 WeakPolarHBondContact O-CG 3.17Å |
| 272 | L | 95.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 25 Ų | 25 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | trans | -110.7 | -5.7 | -177.7 | -70.9 | 174.3 | 0 | 0 | 0 | 113.3 | L267 M270 V300 L314 R315 L316 | L267-L272 HydrophobicContact CB-CB 4.49Å; L267-L272 HydrophobicContact CD2-CB 4.01Å; L267-L272 PolarHBondContact O-N 2.8Å; M270-L272 VanDerWaalsContact C-N 3.25Å; M270-L272 HydrophobicContact CB-CB 4.43Å; M270-L272 HydrophobicContact CB-CD1 3.81Å; M270-L272 HydrophobicContact CB-CG 4.02Å; M270-L272 HydrophobicContact CE-CD1 4.15Å; M270-L272 PolarHBondContact O-N 3.38Å; M270-L272 HydrophobicContact SD-CD1 4.3Å; L272-V300 HydrophobicContact CD1-CG1 4.29Å; L272-L314 HydrophobicContact CB-CD1 4.27Å; L272-L314 HydrophobicContact CD1-CB 3.8Å; L272-L314 HydrophobicContact CD1-CD1 3.89Å; L272-L314 HydrophobicContact CD2-CB 4.05Å; L272-L314 HydrophobicContact CG-CB 4.5Å; L272-R315 WeakPolarHBondContact CD2-O 3.27Å; L272-L316 HydrophobicContact CD1-CD2 3.79Å; L272-L316 HydrophobicContact CG-CD2 4.35Å | ||
| 273 | Y | 95.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 25 Ų | 25 | 6% | 0.059 | 13% | 0.128 | C | C | . | . | trans | -81.4 | 136.1 | -173.7 | -170.6 | -107.5 | 0 | 0 | 0 | 112.7 | I264 L267 E268 | I264-Y273 HydrophobicContact CB-CE2 4.18Å; I264-Y273 HydrophobicContact CG1-CE2 3.73Å; I264-Y273 HydrophobicContact CG2-CD1 4.23Å; I264-Y273 HydrophobicContact CG2-CD2 4.17Å; I264-Y273 HydrophobicContact CG2-CE1 3.92Å; I264-Y273 HydrophobicContact CG2-CE2 3.9Å; I264-Y273 HydrophobicContact CG2-CG 4.32Å; L267-Y273 HydrophobicContact CB-CD2 4.06Å; L267-Y273 HydrophobicContact CB-CG 4.37Å; L267-Y273 HydrophobicContact CD1-CD2 3.91Å; E268-Y273 HydrophobicContact CG-CD1 4.06Å; E268-Y273 HydrophobicContact CG-CG 4.06Å; E268-Y273 WeakPolarHBondContact OE1-CD1 3.48Å | ||
| 274 | H | 91.5 | Very high | 95.4 | Very high | 117 Ų | 117 | 25 Ų | 25 | 54% | 0.542 | 13% | 0.128 | S | C | . | . | trans | -133.8 | 148.9 | 166.6 | -60.3 | -54.8 | 0 | 0 | 0 | 108.3 | N276 M277 | H274-N276 VanDerWaalsContact CB-OD1 3.24Å; H274-N276 WeakPolarHBondContact CB-OD1 3.44Å; H274-N276 PolarHBondContact O-N 3.06Å; H274-N276 VanDerWaalsContact O-N 3.13Å; H274-M277 HydrophobicContact CB-CG 4.14Å; H274-M277 HydrophobicContact CB-SD 4.03Å; H274-M277 WeakPolarHBondContact O-CA 3.25Å; H274-M277 VanDerWaalsContact O-CB 3.27Å; H274-M277 WeakPolarHBondContact O-CB 3.38Å; H274-M277 PolarHBondContact O-N 3.16Å | ||
| 275 | A | 86.5 | Confident | 95.4 | Very high | 38 Ų | 38 | 25 Ų | 25 | 31% | 0.314 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -58 | -32.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H212 M277 H278 | H212-A275 HydrophobicContact CB-CB 4.4Å; H212-A275 PolarHBondContact ND1-O 3.29Å; A275-M277 PolarHBondContact O-N 3.37Å; A275-H278 PolarHBondContact O-N 2.83Å |
| 276 | N | 87.7 | Confident | 95.5 | Very high | 131 Ų | 131 | 25 Ų | 25 | 70% | 0.701 | 13% | 0.128 | S | C | * | . | G | 310 helix | trans | -74.6 | -1.9 | 175.4 | 68.1 | -23.9 | 0 | 0 | 0 | 114.3 | H274 | H274-N276 VanDerWaalsContact CB-OD1 3.24Å; H274-N276 WeakPolarHBondContact CB-OD1 3.44Å; H274-N276 PolarHBondContact O-N 3.06Å; H274-N276 VanDerWaalsContact O-N 3.13Å |
| 277 | M | 93.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 11% | 0.113 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -99 | 14.2 | 172.9 | -58.5 | 175.9 | 61.9 | 0 | 0 | 111.8 | L267 H274 A275 Y302 L314 | L267-M277 HydrophobicContact CD1-CE 4.47Å; H274-M277 HydrophobicContact CB-CG 4.14Å; H274-M277 HydrophobicContact CB-SD 4.03Å; H274-M277 WeakPolarHBondContact O-CA 3.25Å; H274-M277 VanDerWaalsContact O-CB 3.27Å; H274-M277 WeakPolarHBondContact O-CB 3.38Å; H274-M277 PolarHBondContact O-N 3.16Å; A275-M277 PolarHBondContact O-N 3.37Å; M277-Y302 HydrophobicContact CB-CE1 4.27Å; M277-Y302 HydrophobicContact CE-CD1 3.85Å; M277-Y302 HydrophobicContact CE-CE1 4.12Å; M277-Y302 PolarHBondContact O-OH 2.89Å; M277-L314 HydrophobicContact CE-CD1 4.02Å; M277-L314 HydrophobicContact CE-CD2 4.04Å |
| 278 | H | 95.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | trans | -51.2 | 125.3 | -179.9 | -172.4 | 85.8 | 0 | 0 | 0 | 110.7 | Y211 H212 A275 E280 N304 | Y211-H278 AromaticContact CE1-CE1 3.47Å; Y211-H278 VanDerWaalsContact CE1-CE1 3.47Å; Y211-H278 WeakPolarHBondContact CE1-CE1 3.37Å; Y211-H278 AromaticContact CE1-NE2 3.78Å; H212-H278 AromaticContact CD2-CD2 3.75Å; H212-H278 AromaticContact CD2-CE1 3.89Å; H212-H278 AromaticContact CD2-CG 3.32Å; H212-H278 AromaticContact CD2-ND1 3.44Å; H212-H278 PolarHBondContact CD2-ND1 3.23Å; H212-H278 VanDerWaalsContact CE1-CB 3.47Å; H212-H278 WeakPolarHBondContact CE1-CB 3.45Å; H212-H278 AromaticContact CE1-CG 3.83Å; H212-H278 AromaticContact CG-CG 3.9Å; H212-H278 WeakPolarHBondContact NE2-CB 3.44Å; H212-H278 AromaticContact NE2-CD2 3.39Å; H212-H278 PolarHBondContact NE2-CD2 2.85Å; H212-H278 AromaticContact NE2-CG 3.28Å; H212-H278 VanDerWaalsContact NE2-CG 3.28Å; H212-H278 AromaticContact NE2-ND1 3.89Å; A275-H278 PolarHBondContact O-N 2.83Å; H278-E280 PolarHBondContact O-N 3.17Å; H278-N304 PolarHBondContact O-OD1 3.5Å | ||
| 279 | P | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -71.3 | 114.9 | -167.6 | -18.2 | 32.4 | 0 | 0 | 0 | 112.3 | R9 I263 I264 A283 Y302 | R9-P279 WeakPolarHBondContact CD-O 3.41Å; R9-P279 PolarHBondContact NH1-O 3.43Å; I263-P279 HydrophobicContact CB-CB 4.12Å; I263-P279 HydrophobicContact CB-CG 3.7Å; I263-P279 HydrophobicContact CD1-CB 4.2Å; I263-P279 HydrophobicContact CG2-CB 3.88Å; I263-P279 HydrophobicContact CG2-CG 3.39Å; I264-P279 HydrophobicContact CG1-CG 3.94Å; P279-A283 HydrophobicContact CB-CB 3.51Å; P279-Y302 VanDerWaalsContact CA-OH 3.31Å; P279-Y302 WeakPolarHBondContact CA-OH 3.43Å | ||
| 280 | E | 97.4 | Very high | 96 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 18% | 0.178 | 13% | 0.134 | C | C | . | . | trans | -68.6 | 170 | 172.8 | -53.4 | 171 | -178.1 | 0 | 0 | 111.2 | R9 Y183 H278 M282 A283 N304 M306 Y307 N308 | R9-E280 WeakPolarHBondContact CD-O 2.97Å; Y183-E280 WeakPolarHBondContact OH-CA 3.35Å; H278-E280 PolarHBondContact O-N 3.17Å; E280-M282 PolarHBondContact O-N 2.92Å; E280-A283 WeakPolarHBondContact O-CB 3.43Å; E280-A283 PolarHBondContact O-N 2.68Å; E280-N304 WeakPolarHBondContact CA-O 3.3Å; E280-N304 WeakPolarHBondContact CB-O 3.42Å; E280-N304 WeakPolarHBondContact CG-O 3.23Å; E280-N304 PolarHBondContact N-O 3.15Å; E280-M306 HydrophobicContact CB-CG 4.49Å; E280-M306 PolarHBondContact OE2-N 2.95Å; E280-Y307 WeakPolarHBondContact OE2-CB 3.42Å; E280-Y307 PolarHBondContact OE2-N 2.58Å; E280-N308 PolarHBondContact OE2-N 2.87Å | ||
| 281 | F | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 137.4 | 171 | -67.6 | -54 | 0 | 0 | 0 | 110.3 | R9 H10 G11 A12 R13 Y183 H187 A283 G305 M306 | R9-F281 VanDerWaalsContact NH1-N 3.1Å; H10-F281 AromaticContact CE1-CE1 3.86Å; G11-F281 WeakPolarHBondContact O-CD1 3.43Å; A12-F281 VanDerWaalsContact CA-CD2 3.46Å; A12-F281 VanDerWaalsContact CA-CG 3.44Å; A12-F281 HydrophobicContact CB-CB 4.31Å; A12-F281 HydrophobicContact CB-CD2 3.46Å; A12-F281 VanDerWaalsContact CB-CD2 3.46Å; A12-F281 HydrophobicContact CB-CE2 3.77Å; A12-F281 HydrophobicContact CB-CG 3.88Å; A12-F281 HydrophobicContact CB-CZ 4.45Å; R13-F281 HydrophobicContact CG-CE1 3.97Å; R13-F281 HydrophobicContact CG-CZ 4.13Å; Y183-F281 HydrophobicContact CD1-CD2 4.45Å; Y183-F281 AromaticContact CD1-CE2 3.66Å; Y183-F281 HydrophobicContact CD1-CE2 3.66Å; Y183-F281 AromaticContact CD1-CZ 3.69Å; Y183-F281 HydrophobicContact CD1-CZ 3.69Å; Y183-F281 HydrophobicContact CE1-CD1 4.39Å; Y183-F281 AromaticContact CE1-CD2 3.62Å; Y183-F281 HydrophobicContact CE1-CD2 3.62Å; Y183-F281 HydrophobicContact CE1-CE1 4.06Å; Y183-F281 AromaticContact CE1-CE2 3.26Å; Y183-F281 HydrophobicContact CE1-CE2 3.26Å; Y183-F281 HydrophobicContact CE1-CG 4.19Å; Y183-F281 AromaticContact CE1-CZ 3.51Å; Y183-F281 HydrophobicContact CE1-CZ 3.51Å; Y183-F281 PolarHBondContact OH-N 3.42Å; H187-F281 HydrophobicContact CB-CD2 4.09Å; H187-F281 HydrophobicContact CB-CE2 3.98Å; F281-A283 PolarHBondContact O-N 2.77Å; F281-G305 WeakPolarHBondContact O-CA 3.5Å; F281-M306 HydrophobicContact CB-SD 3.98Å; F281-M306 HydrophobicContact CD2-SD 3.97Å; F281-M306 HydrophobicContact CG-SD 4.5Å; F281-M306 PolarHBondContact O-N 3.44Å |
| 282 | M | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 19.2 | -173.8 | -55.2 | -53.5 | -50.5 | 0 | 0 | 116.1 | H10 G11 D49 S50 L53 T86 E280 R303 | H10-M282 PolarHBondContact O-N 2.92Å; G11-M282 WeakPolarHBondContact CA-SD 3.19Å; G11-M282 PolarHBondContact N-SD 2.8Å; D49-M282 HydrophobicContact CB-CG 3.82Å; S50-M282 PolarHBondContact OG-SD 3.19Å; L53-M282 HydrophobicContact CB-CE 3.59Å; L53-M282 HydrophobicContact CD2-CE 3.28Å; L53-M282 HydrophobicContact CG-CE 4.04Å; T86-M282 HydrophobicContact CG2-CE 3.79Å; T86-M282 HydrophobicContact CG2-SD 3.68Å; E280-M282 PolarHBondContact O-N 2.92Å; M282-R303 PolarHBondContact O-NH1 2.96Å |
| 283 | A | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -55.5 | 146.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W8 R9 I263 P279 E280 F281 Y302 R303 N304 | W8-A283 CarbonylContact C-O 3.28Å; W8-A283 WeakPolarHBondContact CA-O 3.37Å; W8-A283 WeakPolarHBondContact CB-O 3.33Å; R9-A283 HydrophobicContact CB-CB 4.46Å; R9-A283 PolarHBondContact N-O 2.84Å; I263-A283 HydrophobicContact CD1-CB 3.92Å; I263-A283 WeakPolarHBondContact CD1-O 3.49Å; P279-A283 HydrophobicContact CB-CB 3.51Å; E280-A283 WeakPolarHBondContact O-CB 3.43Å; E280-A283 PolarHBondContact O-N 2.68Å; F281-A283 PolarHBondContact O-N 2.77Å; A283-Y302 HydrophobicContact CB-CE2 4.4Å; A283-R303 CarbonylContact C-O 3.58Å; A283-R303 WeakPolarHBondContact CA-O 3.43Å; A283-N304 WeakPolarHBondContact CB-O 3.13Å | ||
| 284 | A | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 142.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V6 V7 W8 L53 M286 Y302 R303 | V6-A284 HydrophobicContact CG1-CB 4.45Å; V7-A284 CarbonylContact O-C 3.48Å; V7-A284 VanDerWaalsContact O-CA 3.24Å; V7-A284 WeakPolarHBondContact O-CA 3.37Å; W8-A284 HydrophobicContact CB-CB 4.02Å; L53-A284 HydrophobicContact CD1-CB 4.34Å; L53-A284 HydrophobicContact CD2-CB 4.27Å; A284-M286 HydrophobicContact CB-SD 4.05Å; A284-Y302 WeakPolarHBondContact O-CA 3.42Å; A284-Y302 VanDerWaalsContact O-CD2 3.26Å; A284-Y302 WeakPolarHBondContact O-CD2 3.43Å; A284-R303 HydrophobicContact CB-CB 4.35Å; A284-R303 PolarHBondContact N-O 2.89Å; A284-R303 PolarHBondContact O-N 2.83Å |
| 285 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.8 | 165.9 | -65.7 | 167.4 | 0 | 0 | 0 | 107.6 | V6 V7 I263 L266 L267 M270 I287 V300 W301 Y302 | V6-I285 CarbonylContact C-O 3.57Å; V6-I285 WeakPolarHBondContact CA-O 3.46Å; V7-I285 PolarHBondContact N-O 3.3Å; V7-I285 PolarHBondContact O-N 2.83Å; I263-I285 HydrophobicContact CB-CD1 4.46Å; I263-I285 HydrophobicContact CG2-CD1 3.7Å; I263-I285 HydrophobicContact CG2-CG1 4.17Å; L266-I285 HydrophobicContact CB-CD1 4.3Å; L266-I285 HydrophobicContact CD2-CD1 3.86Å; L266-I285 HydrophobicContact CG-CD1 4.12Å; L267-I285 HydrophobicContact CD1-CD1 4.4Å; L267-I285 HydrophobicContact CD2-CD1 3.69Å; L267-I285 HydrophobicContact CD2-CG1 4.29Å; L267-I285 HydrophobicContact CG-CD1 3.72Å; M270-I285 HydrophobicContact CE-CD1 4.45Å; I285-I287 HydrophobicContact CG2-CG1 4.13Å; I285-V300 HydrophobicContact CG2-CG1 4.08Å; I285-W301 CarbonylContact C-O 3.39Å; I285-W301 WeakPolarHBondContact CA-O 3.39Å; I285-Y302 HydrophobicContact CG1-CD2 3.68Å; I285-Y302 HydrophobicContact CG1-CE2 4.18Å |
| 286 | M | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.2 | 171.4 | -55.6 | 76.1 | 68.4 | 0 | 0 | 109.4 | E5 V6 L57 Y61 A284 V300 W301 M311 | E5-M286 CarbonylContact O-C 3.52Å; E5-M286 WeakPolarHBondContact O-CA 3.41Å; V6-M286 HydrophobicContact CB-CG 4.36Å; V6-M286 HydrophobicContact CG1-CG 3.96Å; V6-M286 HydrophobicContact CG2-CB 4.39Å; V6-M286 HydrophobicContact CG2-CG 3.82Å; L57-M286 HydrophobicContact CD2-CG 4.46Å; Y61-M286 WeakPolarHBondContact OH-CB 3.48Å; Y61-M286 WeakPolarHBondContact OH-CG 3.08Å; A284-M286 HydrophobicContact CB-SD 4.05Å; M286-V300 CarbonylContact O-C 3.52Å; M286-V300 WeakPolarHBondContact O-CA 3.4Å; M286-W301 HydrophobicContact CB-CB 4.3Å; M286-W301 HydrophobicContact CE-CB 3.53Å; M286-W301 PolarHBondContact N-O 2.98Å; M286-W301 PolarHBondContact O-N 2.72Å; M286-M311 HydrophobicContact CE-CE 3.54Å; M286-M311 HydrophobicContact CE-CG 4.38Å; M286-M311 HydrophobicContact CE-SD 3.15Å; M286-M311 WeakPolarHBondContact CE-SD 3.36Å; M286-M311 HydrophobicContact SD-CE 4.24Å; M286-M311 HydrophobicContact SD-SD 4.28Å |
| 287 | I | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.3 | 172 | -53.3 | -172.6 | 0 | 0 | 0 | 107.1 | T4 E5 L236 I240 M270 I285 V298 E299 V300 F328 | T4-I287 CarbonylContact C-O 3.57Å; T4-I287 WeakPolarHBondContact CA-O 3.17Å; E5-I287 HydrophobicContact CB-CB 4.45Å; E5-I287 PolarHBondContact N-O 3.48Å; E5-I287 PolarHBondContact O-N 2.77Å; L236-I287 HydrophobicContact CB-CD1 4.39Å; L236-I287 HydrophobicContact CD1-CD1 3.87Å; I240-I287 HydrophobicContact CD1-CG2 3.88Å; M270-I287 HydrophobicContact SD-CD1 4.49Å; I285-I287 HydrophobicContact CG2-CG1 4.13Å; I287-V298 HydrophobicContact CG2-CG1 3.6Å; I287-E299 WeakPolarHBondContact CA-O 3.28Å; I287-V300 HydrophobicContact CG1-CG2 4.44Å; I287-F328 HydrophobicContact CD1-CZ 3.97Å; I287-F328 HydrophobicContact CG2-CE1 4.47Å; I287-F328 HydrophobicContact CG2-CZ 4.22Å |
| 288 | E | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.4 | -171.2 | -67.4 | 172.8 | 174.8 | 0 | 0 | 110.8 | M1 R60 Y61 Y290 V298 E299 W301 | M1-E288 HydrophobicContact CE-CB 4.38Å; M1-E288 HydrophobicContact CE-CG 4.14Å; R60-E288 IonicContact CZ-OE1 2.82Å; R60-E288 IonicContact CZ-OE2 2.72Å; R60-E288 IonicContact NE-OE1 2.78Å; R60-E288 PolarHBondContact NE-OE1 2.89Å; R60-E288 IonicContact NH2-OE1 2.88Å; R60-E288 PolarHBondContact NH2-OE1 3.33Å; R60-E288 IonicContact NH2-OE2 2.9Å; R60-E288 PolarHBondContact NH2-OE2 2.94Å; Y61-E288 HydrophobicContact CE1-CG 4.38Å; Y61-E288 WeakPolarHBondContact CE1-OE1 3.46Å; Y61-E288 VanDerWaalsContact CZ-OE1 3.32Å; Y61-E288 PolarHBondContact OH-OE1 3.12Å; E288-Y290 HydrophobicContact CB-CD2 4.23Å; E288-Y290 HydrophobicContact CB-CE2 3.46Å; E288-Y290 VanDerWaalsContact CB-CE2 3.46Å; E288-Y290 PolarHBondContact OE2-OH 3.23Å; E288-V298 VanDerWaalsContact O-CA 3.3Å; E288-V298 WeakPolarHBondContact O-CA 3.46Å; E288-E299 PolarHBondContact N-O 2.61Å; E288-E299 PolarHBondContact O-N 3.23Å; E288-W301 PolarHBondContact OE2-NE1 3.07Å |
| 289 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.1 | 175.4 | 179.8 | 64.2 | 0 | 0 | 0 | 110 | M1 L2 L3 I240 K243 I244 Y296 V298 A325 | M1-L289 CarbonylContact C-O 3.47Å; M1-L289 WeakPolarHBondContact CA-O 3.35Å; L2-L289 HydrophobicContact CB-CD2 4.17Å; L2-L289 HydrophobicContact CB-CG 4.26Å; L2-L289 HydrophobicContact CD1-CD2 4.49Å; L2-L289 PolarHBondContact N-O 3.09Å; L3-L289 HydrophobicContact CB-CB 4.05Å; L3-L289 HydrophobicContact CB-CD2 4.26Å; L3-L289 PolarHBondContact O-N 2.97Å; I240-L289 HydrophobicContact CG2-CD1 4.04Å; I240-L289 HydrophobicContact CG2-CD2 4.24Å; K243-L289 HydrophobicContact CB-CD2 4.18Å; K243-L289 HydrophobicContact CG-CD2 3.91Å; I244-L289 HydrophobicContact CD1-CD1 4.16Å; I244-L289 HydrophobicContact CD1-CD2 4.44Å; I244-L289 HydrophobicContact CG1-CD1 4.47Å; I244-L289 HydrophobicContact CG1-CD2 3.98Å; L289-Y296 HydrophobicContact CD1-CD1 4.48Å; L289-V298 HydrophobicContact CD1-CG2 4.22Å; L289-A325 HydrophobicContact CD1-CB 3.94Å |
| 290 | Y | 98.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.5 | 174.9 | -64.1 | -92.8 | 0 | 0 | 0 | 110.4 | M1 E288 Y296 T297 E299 | M1-Y290 HydrophobicContact CB-CD1 4.22Å; M1-Y290 HydrophobicContact CB-CE1 4.05Å; M1-Y290 HydrophobicContact CE-CE1 3.86Å; M1-Y290 WeakPolarHBondContact CE-OH 3.41Å; M1-Y290 HydrophobicContact CG-CE1 4.45Å; E288-Y290 HydrophobicContact CB-CD2 4.23Å; E288-Y290 HydrophobicContact CB-CE2 3.46Å; E288-Y290 VanDerWaalsContact CB-CE2 3.46Å; E288-Y290 PolarHBondContact OE2-OH 3.23Å; Y290-Y296 VanDerWaalsContact O-CA 3.28Å; Y290-Y296 WeakPolarHBondContact O-CA 3.48Å; Y290-T297 PolarHBondContact N-O 3.14Å; Y290-T297 PolarHBondContact O-N 3.49Å; Y290-E299 HydrophobicContact CD2-CG 4.19Å; Y290-E299 HydrophobicContact CE2-CB 4.15Å; Y290-E299 HydrophobicContact CE2-CG 3.88Å |
| 291 | E | 97.2 | Very high | 97.7 | Very high | 93 Ų | 93 | 39.1 Ų | 39.1 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.9 | 168.9 | -175.2 | -131.9 | 153.7 | 0 | 0 | 108.3 | L2 G294 N295 Y296 | L2-E291 HydrophobicContact CD1-CB 3.55Å; L2-E291 HydrophobicContact CD1-CG 4.38Å; L2-E291 HydrophobicContact CD2-CB 4.45Å; L2-E291 HydrophobicContact CG-CB 3.91Å; E291-G294 PolarHBondContact OE1-N 3.4Å; E291-N295 CarbonylContact C-O 3.58Å; E291-N295 VanDerWaalsContact CA-O 3.29Å; E291-N295 WeakPolarHBondContact CA-O 3.49Å; E291-Y296 HydrophobicContact CB-CD1 3.93Å; E291-Y296 HydrophobicContact CB-CE1 3.92Å; E291-Y296 HydrophobicContact CG-CD1 4Å; E291-Y296 HydrophobicContact CG-CE1 3.67Å |
| 292 | Q | 95.1 | Very high | 97.7 | Very high | 128 Ų | 128 | 39.4 Ų | 39.4 | 60% | 0.598 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 119.4 | 173.3 | -162.7 | -172.9 | 12.1 | 0 | 0 | 109.5 | G294 N295 | Q292-G294 PolarHBondContact O-N 3.39Å; Q292-N295 PolarHBondContact N-O 3.17Å; Q292-N295 WeakPolarHBondContact O-CB 3.43Å; Q292-N295 PolarHBondContact O-N 3.4Å |
| 293 | F | 94.1 | Very high | 97.7 | Very high | 184 Ų | 184 | 39.5 Ų | 39.5 | 81% | 0.807 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 40.7 | 179.8 | -49.2 | -60.9 | 0 | 0 | 0 | 113.1 | N295 | F293-N295 VanDerWaalsContact C-N 3.25Å; F293-N295 PolarHBondContact O-N 2.9Å |
| 294 | G | 93.1 | Very high | 97.6 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 44% | 0.443 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -2.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E291 Q292 | E291-G294 PolarHBondContact OE1-N 3.4Å; Q292-G294 PolarHBondContact O-N 3.39Å |
| 295 | N | 97 | Very high | 97.5 | Very high | 113 Ų | 113 | 40.3 Ų | 40.3 | 60% | 0.604 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.7 | 172.1 | -65.4 | -55.3 | 0 | 0 | 0 | 110.8 | E291 Q292 F293 | E291-N295 CarbonylContact C-O 3.58Å; E291-N295 VanDerWaalsContact CA-O 3.29Å; E291-N295 WeakPolarHBondContact CA-O 3.49Å; Q292-N295 PolarHBondContact N-O 3.17Å; Q292-N295 WeakPolarHBondContact O-CB 3.43Å; Q292-N295 PolarHBondContact O-N 3.4Å; F293-N295 VanDerWaalsContact C-N 3.25Å; F293-N295 PolarHBondContact O-N 2.9Å |
| 296 | Y | 98.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.1 | 178.9 | -59.4 | -84.7 | 0 | 0 | 0 | 111.1 | L2 I244 L289 Y290 E291 S324 A325 | L2-Y296 HydrophobicContact CD1-CD1 3.93Å; L2-Y296 HydrophobicContact CD1-CE1 3.58Å; I244-Y296 HydrophobicContact CD1-CD1 4.24Å; I244-Y296 HydrophobicContact CD1-CD2 4.45Å; I244-Y296 HydrophobicContact CD1-CG 3.96Å; I244-Y296 HydrophobicContact CG1-CD1 3.83Å; I244-Y296 HydrophobicContact CG1-CD2 4.46Å; I244-Y296 HydrophobicContact CG1-CE1 4.11Å; I244-Y296 HydrophobicContact CG1-CG 4Å; I244-Y296 HydrophobicContact CG2-CD2 4.04Å; I244-Y296 HydrophobicContact CG2-CE1 4.43Å; I244-Y296 HydrophobicContact CG2-CE2 3.86Å; I244-Y296 HydrophobicContact CG2-CG 4.43Å; L289-Y296 HydrophobicContact CD1-CD1 4.48Å; Y290-Y296 VanDerWaalsContact O-CA 3.28Å; Y290-Y296 WeakPolarHBondContact O-CA 3.48Å; E291-Y296 HydrophobicContact CB-CD1 3.93Å; E291-Y296 HydrophobicContact CB-CE1 3.92Å; E291-Y296 HydrophobicContact CG-CD1 4Å; E291-Y296 HydrophobicContact CG-CE1 3.67Å; Y296-S324 WeakPolarHBondContact O-CA 3.22Å; Y296-A325 PolarHBondContact O-N 2.03Å |
| 297 | T | 98.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 151 | 179.3 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | Y290 P322 C323 | Y290-T297 PolarHBondContact N-O 3.14Å; Y290-T297 PolarHBondContact O-N 3.49Å; T297-P322 HydrophobicContact CG2-CB 3.91Å; T297-P322 HydrophobicContact CG2-CG 4.06Å; T297-C323 CarbonylContact C-O 3.47Å; T297-C323 WeakPolarHBondContact CA-O 3.06Å; T297-C323 WeakPolarHBondContact CB-O 3.42Å |
| 298 | V | 98.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.6 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | I240 I287 E288 L289 V300 C323 A325 F328 | I240-V298 HydrophobicContact CD1-CG2 4.06Å; I287-V298 HydrophobicContact CG2-CG1 3.6Å; E288-V298 VanDerWaalsContact O-CA 3.3Å; E288-V298 WeakPolarHBondContact O-CA 3.46Å; L289-V298 HydrophobicContact CD1-CG2 4.22Å; V298-V300 HydrophobicContact CG1-CG2 4.46Å; V298-C323 PolarHBondContact N-O 2.81Å; V298-A325 HydrophobicContact CG2-CB 4.01Å; V298-F328 HydrophobicContact CB-CB 4.26Å; V298-F328 HydrophobicContact CB-CG 4.27Å; V298-F328 HydrophobicContact CG1-CD1 4.35Å; V298-F328 HydrophobicContact CG1-CD2 4.06Å; V298-F328 HydrophobicContact CG1-CE2 4.38Å; V298-F328 HydrophobicContact CG1-CG 4.04Å; V298-F328 HydrophobicContact CG2-CB 4.14Å; V298-F328 HydrophobicContact CG2-CD1 4.24Å; V298-F328 HydrophobicContact CG2-CG 4.2Å |
| 299 | E | 97.9 | Very high | 96.5 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140 | 167.6 | -60.8 | -173.9 | 168.5 | 0 | 0 | 110.1 | I287 E288 Y290 W301 | I287-E299 WeakPolarHBondContact CA-O 3.28Å; E288-E299 PolarHBondContact N-O 2.61Å; E288-E299 PolarHBondContact O-N 3.23Å; Y290-E299 HydrophobicContact CD2-CG 4.19Å; Y290-E299 HydrophobicContact CE2-CB 4.15Å; Y290-E299 HydrophobicContact CE2-CG 3.88Å; E299-W301 WeakPolarHBondContact OE2-CZ2 3.42Å; E299-W301 PolarHBondContact OE2-NE1 2.96Å |
| 300 | V | 98.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.4 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | M270 L272 I285 M286 I287 V298 L314 L316 | M270-V300 HydrophobicContact CE-CG1 4.29Å; M270-V300 HydrophobicContact SD-CG1 4.4Å; M270-V300 HydrophobicContact SD-CG2 4.4Å; L272-V300 HydrophobicContact CD1-CG1 4.29Å; I285-V300 HydrophobicContact CG2-CG1 4.08Å; M286-V300 CarbonylContact O-C 3.52Å; M286-V300 WeakPolarHBondContact O-CA 3.4Å; I287-V300 HydrophobicContact CG1-CG2 4.44Å; V298-V300 HydrophobicContact CG1-CG2 4.46Å; V300-L314 HydrophobicContact CG1-CB 4.36Å; V300-L314 PolarHBondContact O-N 2.94Å; V300-L316 HydrophobicContact CG2-CD1 4.02Å; V300-L316 HydrophobicContact CG2-CD2 4.46Å; V300-L316 HydrophobicContact CG2-CG 4.25Å |
| 301 | W | 98.3 | Very high | 96.2 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 16% | 0.163 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.5 | -179.6 | -65.5 | 86.2 | 0 | 0 | 0 | 109.9 | R60 I285 M286 E288 E299 M311 Q312 M313 | R60-W301 VanDerWaalsContact NH2-CE2 3.34Å; I285-W301 CarbonylContact C-O 3.39Å; I285-W301 WeakPolarHBondContact CA-O 3.39Å; M286-W301 HydrophobicContact CB-CB 4.3Å; M286-W301 HydrophobicContact CE-CB 3.53Å; M286-W301 PolarHBondContact N-O 2.98Å; M286-W301 PolarHBondContact O-N 2.72Å; E288-W301 PolarHBondContact OE2-NE1 3.07Å; E299-W301 WeakPolarHBondContact OE2-CZ2 3.42Å; E299-W301 PolarHBondContact OE2-NE1 2.96Å; W301-M311 HydrophobicContact CE3-CB 4.29Å; W301-Q312 CarbonylContact C-O 3.5Å; W301-Q312 WeakPolarHBondContact CA-O 3.3Å; W301-M313 HydrophobicContact CD2-CB 4.11Å; W301-M313 HydrophobicContact CD2-CG 4.41Å; W301-M313 HydrophobicContact CE3-CB 3.85Å; W301-M313 HydrophobicContact CH2-CB 3.91Å; W301-M313 HydrophobicContact CH2-CE 3.69Å; W301-M313 HydrophobicContact CH2-CG 4.44Å; W301-M313 HydrophobicContact CZ2-CB 4.16Å; W301-M313 HydrophobicContact CZ2-CE 3.65Å; W301-M313 HydrophobicContact CZ2-CG 4.22Å; W301-M313 HydrophobicContact CZ3-CB 3.75Å |
| 302 | Y | 98.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.8 | 179.2 | -176.1 | -124 | 0 | 0 | 0 | 111.6 | I263 L267 M277 P279 A283 A284 I285 N304 Q312 L314 | I263-Y302 HydrophobicContact CG2-CE2 3.92Å; L267-Y302 HydrophobicContact CD1-CE2 4.3Å; M277-Y302 HydrophobicContact CB-CE1 4.27Å; M277-Y302 HydrophobicContact CE-CD1 3.85Å; M277-Y302 HydrophobicContact CE-CE1 4.12Å; M277-Y302 PolarHBondContact O-OH 2.89Å; P279-Y302 VanDerWaalsContact CA-OH 3.31Å; P279-Y302 WeakPolarHBondContact CA-OH 3.43Å; A283-Y302 HydrophobicContact CB-CE2 4.4Å; A284-Y302 WeakPolarHBondContact O-CA 3.42Å; A284-Y302 VanDerWaalsContact O-CD2 3.26Å; A284-Y302 WeakPolarHBondContact O-CD2 3.43Å; I285-Y302 HydrophobicContact CG1-CD2 3.68Å; I285-Y302 HydrophobicContact CG1-CE2 4.18Å; Y302-N304 HydrophobicContact CD1-CB 4.43Å; Y302-N304 HydrophobicContact CE1-CB 3.72Å; Y302-N304 PolarHBondContact OH-OD1 2.97Å; Y302-Q312 PolarHBondContact N-O 2.79Å; Y302-Q312 PolarHBondContact O-N 3.16Å; Y302-L314 HydrophobicContact CG-CD1 4.3Å |
| 303 | R | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.7 | 167.1 | -172 | -174.4 | 177.9 | -131.7 | 12.1 | 107.6 | E52 M282 A283 A284 G305 M311 | E52-R303 IonicContact OE1-NH2 3.33Å; E52-R303 PolarHBondContact OE1-NH2 3.22Å; E52-R303 IonicContact OE2-CZ 3.73Å; E52-R303 IonicContact OE2-NH1 3.83Å; E52-R303 IonicContact OE2-NH2 3.87Å; E52-R303 PolarHBondContact OE2-NH2 2.83Å; M282-R303 PolarHBondContact O-NH1 2.96Å; A283-R303 CarbonylContact C-O 3.58Å; A283-R303 WeakPolarHBondContact CA-O 3.43Å; A284-R303 HydrophobicContact CB-CB 4.35Å; A284-R303 PolarHBondContact N-O 2.89Å; A284-R303 PolarHBondContact O-N 2.83Å; R303-G305 VanDerWaalsContact C-N 3.31Å; R303-G305 PolarHBondContact O-N 3.49Å; R303-M311 HydrophobicContact CB-CE 4.03Å; R303-M311 HydrophobicContact CB-SD 3.58Å; R303-M311 VanDerWaalsContact CB-SD 3.58Å; R303-M311 HydrophobicContact CG-CE 4.24Å; R303-M311 HydrophobicContact CG-SD 4.1Å |
| 304 | N | 96.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | trans | -78.5 | -15.8 | -174.9 | -160.7 | 9.7 | 0 | 0 | 0 | 113.6 | H278 E280 A283 Y302 N308 | H278-N304 PolarHBondContact O-OD1 3.5Å; E280-N304 WeakPolarHBondContact CA-O 3.3Å; E280-N304 WeakPolarHBondContact CB-O 3.42Å; E280-N304 WeakPolarHBondContact CG-O 3.23Å; E280-N304 PolarHBondContact N-O 3.15Å; A283-N304 WeakPolarHBondContact CB-O 3.13Å; Y302-N304 HydrophobicContact CD1-CB 4.43Å; Y302-N304 HydrophobicContact CE1-CB 3.72Å; Y302-N304 PolarHBondContact OH-OD1 2.97Å; N304-N308 HydrophobicContact CB-CB 4.03Å; N304-N308 PolarHBondContact N-O 3.03Å | ||
| 305 | G | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | 133.8 | -140 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F281 R303 Y307 N308 K309 | F281-G305 WeakPolarHBondContact O-CA 3.5Å; R303-G305 VanDerWaalsContact C-N 3.31Å; R303-G305 PolarHBondContact O-N 3.49Å; G305-Y307 PolarHBondContact O-N 2.88Å; G305-N308 PolarHBondContact N-O 3.25Å; G305-N308 CarbonylContact O-C 3.56Å; G305-K309 WeakPolarHBondContact O-CG 3.28Å | ||
| 306 | M | 92.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -64.3 | -34.9 | -167.4 | 66.9 | -176.3 | -63.3 | 0 | 0 | 114.6 | V45 H187 E280 F281 K309 | V45-M306 HydrophobicContact CG1-CE 3.88Å; H187-M306 HydrophobicContact CB-CE 4.33Å; H187-M306 HydrophobicContact CB-SD 4.14Å; E280-M306 HydrophobicContact CB-CG 4.49Å; E280-M306 PolarHBondContact OE2-N 2.95Å; F281-M306 HydrophobicContact CB-SD 3.98Å; F281-M306 HydrophobicContact CD2-SD 3.97Å; F281-M306 HydrophobicContact CG-SD 4.5Å; F281-M306 PolarHBondContact O-N 3.44Å; M306-K309 WeakPolarHBondContact O-CE 3.19Å |
| 307 | Y | 92.2 | Very high | 96.1 | Very high | 139 Ų | 139 | 50 Ų | 50 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -97.9 | -44.7 | 178.5 | -59.8 | -73.5 | 0 | 0 | 0 | 111.6 | H187 E280 G305 K309 | H187-Y307 AromaticContact CE1-CE2 3.25Å; H187-Y307 WeakPolarHBondContact CE1-CE2 3.45Å; H187-Y307 AromaticContact CE1-CZ 3.84Å; H187-Y307 AromaticContact ND1-CE2 3.14Å; H187-Y307 WeakPolarHBondContact ND1-CE2 3.13Å; H187-Y307 AromaticContact ND1-CZ 3.38Å; H187-Y307 PolarHBondContact ND1-OH 3.46Å; E280-Y307 WeakPolarHBondContact OE2-CB 3.42Å; E280-Y307 PolarHBondContact OE2-N 2.58Å; G305-Y307 PolarHBondContact O-N 2.88Å; Y307-K309 PolarHBondContact O-N 2.82Å |
| 308 | N | 93.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | trans | -96.2 | 84.8 | 172.9 | -174.3 | -3 | 0 | 0 | 0 | 111 | E280 N304 G305 T310 | E280-N308 PolarHBondContact OE2-N 2.87Å; N304-N308 HydrophobicContact CB-CB 4.03Å; N304-N308 PolarHBondContact N-O 3.03Å; G305-N308 PolarHBondContact N-O 3.25Å; G305-N308 CarbonylContact O-C 3.56Å; N308-T310 VanDerWaalsContact C-N 3.3Å; N308-T310 PolarHBondContact O-N 3.39Å; N308-T310 PolarHBondContact OD1-N 2.88Å | ||
| 309 | K | 95.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | trans | -82.6 | -2 | -177.8 | -61.6 | -173.1 | 172 | -155.1 | 0 | 114.3 | E52 G305 M306 Y307 M311 | E52-K309 IonicContact OE1-NZ 3.99Å; E52-K309 PolarHBondContact OE1-NZ 3.3Å; E52-K309 IonicContact OE2-NZ 2.85Å; G305-K309 WeakPolarHBondContact O-CG 3.28Å; M306-K309 WeakPolarHBondContact O-CE 3.19Å; Y307-K309 PolarHBondContact O-N 2.82Å; K309-M311 PolarHBondContact O-N 3.03Å | ||
| 310 | T | 95.6 | Very high | 95.1 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | trans | -69.6 | 131.3 | -176.5 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | N308 Q312 | N308-T310 VanDerWaalsContact C-N 3.3Å; N308-T310 PolarHBondContact O-N 3.39Å; N308-T310 PolarHBondContact OD1-N 2.88Å; T310-Q312 PolarHBondContact O-N 3.33Å | ||
| 311 | M | 95.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 22% | 0.222 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.8 | 171.3 | -63.9 | -61.9 | -169.6 | 0 | 0 | 109.6 | V56 M286 W301 R303 K309 | V56-M311 HydrophobicContact CG1-CE 3.54Å; M286-M311 HydrophobicContact CE-CE 3.54Å; M286-M311 HydrophobicContact CE-CG 4.38Å; M286-M311 HydrophobicContact CE-SD 3.15Å; M286-M311 WeakPolarHBondContact CE-SD 3.36Å; M286-M311 HydrophobicContact SD-CE 4.24Å; M286-M311 HydrophobicContact SD-SD 4.28Å; W301-M311 HydrophobicContact CE3-CB 4.29Å; R303-M311 HydrophobicContact CB-CE 4.03Å; R303-M311 HydrophobicContact CB-SD 3.58Å; R303-M311 VanDerWaalsContact CB-SD 3.58Å; R303-M311 HydrophobicContact CG-CE 4.24Å; R303-M311 HydrophobicContact CG-SD 4.1Å; K309-M311 PolarHBondContact O-N 3.03Å |
| 312 | Q | 96.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 68.2 Ų | 68.2 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.1 | 177 | -177.9 | 178.8 | -17.1 | 0 | 0 | 110.5 | W301 Y302 T310 L314 | W301-Q312 CarbonylContact C-O 3.5Å; W301-Q312 WeakPolarHBondContact CA-O 3.3Å; Y302-Q312 PolarHBondContact N-O 2.79Å; Y302-Q312 PolarHBondContact O-N 3.16Å; T310-Q312 PolarHBondContact O-N 3.33Å; Q312-L314 HydrophobicContact CG-CD2 4.24Å; Q312-L314 PolarHBondContact O-N 2.86Å |
| 313 | M | 97.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 125.7 | 169.4 | -168.8 | -161.6 | -55.4 | 0 | 0 | 109.5 | W301 Y321 | W301-M313 HydrophobicContact CD2-CB 4.11Å; W301-M313 HydrophobicContact CD2-CG 4.41Å; W301-M313 HydrophobicContact CE3-CB 3.85Å; W301-M313 HydrophobicContact CH2-CB 3.91Å; W301-M313 HydrophobicContact CH2-CE 3.69Å; W301-M313 HydrophobicContact CH2-CG 4.44Å; W301-M313 HydrophobicContact CZ2-CB 4.16Å; W301-M313 HydrophobicContact CZ2-CE 3.65Å; W301-M313 HydrophobicContact CZ2-CG 4.22Å; W301-M313 HydrophobicContact CZ3-CB 3.75Å; M313-Y321 HydrophobicContact SD-CE2 3.79Å |
| 314 | L | 97 | Very high | 94.5 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.7 | 176.6 | -58.1 | -172.3 | 0 | 0 | 0 | 109.9 | L267 L272 M277 V300 Y302 Q312 | L267-L314 HydrophobicContact CD2-CD1 3.76Å; L272-L314 HydrophobicContact CB-CD1 4.27Å; L272-L314 HydrophobicContact CD1-CB 3.8Å; L272-L314 HydrophobicContact CD1-CD1 3.89Å; L272-L314 HydrophobicContact CD2-CB 4.05Å; L272-L314 HydrophobicContact CG-CB 4.5Å; M277-L314 HydrophobicContact CE-CD1 4.02Å; M277-L314 HydrophobicContact CE-CD2 4.04Å; V300-L314 HydrophobicContact CG1-CB 4.36Å; V300-L314 PolarHBondContact O-N 2.94Å; Y302-L314 HydrophobicContact CG-CD1 4.3Å; Q312-L314 HydrophobicContact CG-CD2 4.24Å; Q312-L314 PolarHBondContact O-N 2.86Å |
| 315 | R | 95.7 | Very high | 94.5 | Very high | 193 Ų | 193 | 69.1 Ų | 69.1 | 73% | 0.728 | 34% | 0.341 | S | S | * | . | trans | -94.3 | 110.7 | 177.7 | -68.8 | -173.9 | 177.8 | 172.5 | 0.8 | 109.8 | L272 P317 | L272-R315 WeakPolarHBondContact CD2-O 3.27Å; R315-P317 WeakPolarHBondContact O-CD 3.37Å | ||
| 316 | L | 95.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 76.6 Ų | 76.6 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | trans | -59.3 | 124.9 | 176.9 | -71.7 | 163.5 | 0 | 0 | 0 | 111 | M270 L272 V300 N318 C319 F328 M331 | M270-L316 HydrophobicContact CB-CD2 3.86Å; M270-L316 HydrophobicContact CG-CD2 4.11Å; M270-L316 HydrophobicContact SD-CD2 4.08Å; L272-L316 HydrophobicContact CD1-CD2 3.79Å; L272-L316 HydrophobicContact CG-CD2 4.35Å; V300-L316 HydrophobicContact CG2-CD1 4.02Å; V300-L316 HydrophobicContact CG2-CD2 4.46Å; V300-L316 HydrophobicContact CG2-CG 4.25Å; L316-N318 PolarHBondContact O-N 3.5Å; L316-C319 HydrophobicContact CB-CB 3.85Å; L316-C319 PolarHBondContact O-N 3.21Å; L316-F328 HydrophobicContact CD1-CD2 3.57Å; L316-F328 HydrophobicContact CD1-CE2 4.01Å; L316-M331 HydrophobicContact CB-CE 4.41Å; L316-M331 HydrophobicContact CD1-SD 4.29Å; L316-M331 HydrophobicContact CD2-CE 4.37Å | ||
| 317 | P | 91.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 79 Ų | 79 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 140.5 | 171.7 | -24.5 | 35.9 | 0 | 0 | 0 | 110.4 | Q271 R315 C319 | Q271-P317 HydrophobicContact CB-CG 3.92Å; Q271-P317 WeakPolarHBondContact O-CG 3.17Å; R315-P317 WeakPolarHBondContact O-CD 3.37Å; P317-C319 PolarHBondContact O-N 3.28Å; P317-C319 VanDerWaalsContact O-N 3.14Å |
| 318 | N | 87.7 | Confident | 94.9 | Very high | 146 Ų | 146 | 72.4 Ų | 72.4 | 78% | 0.781 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 12.7 | -179.2 | -46.9 | -55.9 | 0 | 0 | 0 | 115.6 | L316 | L316-N318 PolarHBondContact O-N 3.5Š|
| 319 | C | 93.5 | Very high | 95 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | trans | -108.2 | 126.5 | 164.7 | -152.5 | 0 | 0 | 0 | 0 | 110.1 | L316 P317 C323 Q327 | L316-C319 HydrophobicContact CB-CB 3.85Å; L316-C319 PolarHBondContact O-N 3.21Å; P317-C319 PolarHBondContact O-N 3.28Å; P317-C319 VanDerWaalsContact O-N 3.14Å; C319-C323 HydrophobicContact CB-CB 3.88Å; C319-C323 WeakPolarHBondContact CB-SG 3.5Å; C319-C323 WeakPolarHBondContact SG-CA 3.11Å; C319-C323 WeakPolarHBondContact SG-CB 3.01Å; C319-C323 CovalentContact SG-SG 2.03Å; C319-C323 PolarHBondContact SG-SG 2.98Å; C319-Q327 VanDerWaalsContact SG-CB 3.56Å | ||
| 320 | N | 91.9 | Very high | 94.9 | Very high | 119 Ų | 119 | 74.1 Ų | 74.1 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 149.4 | 174.7 | -70.1 | -30.8 | 0 | 0 | 0 | 109.1 | P322 C323 | N320-P322 CarbonylContact O-C 2.95Å; N320-C323 WeakPolarHBondContact O-CA 3.36Å; N320-C323 PolarHBondContact O-N 2.86Å |
| 321 | Y | 91.8 | Very high | 94.7 | Very high | 144 Ų | 144 | 71.8 Ų | 71.8 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -94.7 | 129.2 | 173.9 | -178.5 | -93.4 | 0 | 0 | 0 | 110.5 | M313 | M313-Y321 HydrophobicContact SD-CE2 3.79Š|
| 322 | P | 93 | Very high | 94.4 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | S | Bend | cis | -71.1 | 142.8 | -4.7 | 31.2 | -35.8 | 0 | 0 | 0 | 112.3 | T297 N320 S324 | T297-P322 HydrophobicContact CG2-CB 3.91Å; T297-P322 HydrophobicContact CG2-CG 4.06Å; N320-P322 CarbonylContact O-C 2.95Å; P322-S324 PolarHBondContact O-N 2.95Å |
| 323 | C | 97.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 67.4 Ų | 67.4 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 120.8 | -176.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | T297 V298 C319 N320 | T297-C323 CarbonylContact C-O 3.47Å; T297-C323 WeakPolarHBondContact CA-O 3.06Å; T297-C323 WeakPolarHBondContact CB-O 3.42Å; V298-C323 PolarHBondContact N-O 2.81Å; C319-C323 HydrophobicContact CB-CB 3.88Å; C319-C323 WeakPolarHBondContact CB-SG 3.5Å; C319-C323 WeakPolarHBondContact SG-CA 3.11Å; C319-C323 WeakPolarHBondContact SG-CB 3.01Å; C319-C323 CovalentContact SG-SG 2.03Å; C319-C323 PolarHBondContact SG-SG 2.98Å; N320-C323 WeakPolarHBondContact O-CA 3.36Å; N320-C323 PolarHBondContact O-N 2.86Å |
| 324 | S | 97.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 67.4 Ų | 67.4 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 145.8 | 177.9 | 80.6 | 0 | 0 | 0 | 0 | 110.4 | Y296 P322 E326 Q327 F328 | Y296-S324 WeakPolarHBondContact O-CA 3.22Å; P322-S324 PolarHBondContact O-N 2.95Å; S324-E326 PolarHBondContact O-N 3.33Å; S324-Q327 PolarHBondContact O-N 3.47Å; S324-Q327 VanDerWaalsContact O-N 3.1Å; S324-Q327 WeakPolarHBondContact OG-CB 3.33Å; S324-Q327 VanDerWaalsContact OG-CG 3.31Å; S324-Q327 WeakPolarHBondContact OG-CG 3.43Å; S324-Q327 PolarHBondContact OG-N 3.2Å; S324-Q327 VanDerWaalsContact OG-N 3.07Å; S324-F328 PolarHBondContact O-N 3.34Å |
| 325 | A | 97.6 | Very high | 92 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.5 | -32.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I240 I244 L289 Y296 V298 F328 V329 | I240-A325 HydrophobicContact CG2-CB 4.21Å; I244-A325 HydrophobicContact CD1-CB 3.56Å; L289-A325 HydrophobicContact CD1-CB 3.94Å; Y296-A325 PolarHBondContact O-N 2.03Å; V298-A325 HydrophobicContact CG2-CB 4.01Å; A325-F328 PolarHBondContact O-N 3Å; A325-V329 WeakPolarHBondContact O-CB 3.47Å; A325-V329 WeakPolarHBondContact O-CG2 3.36Å; A325-V329 PolarHBondContact O-N 3.33Å |
| 326 | E | 96.2 | Very high | 91.2 | Very high | 156 Ų | 156 | 60.5 Ų | 60.5 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 173.7 | -174.1 | -174 | 174 | 0 | 0 | 112.1 | S324 V329 K330 | S324-E326 PolarHBondContact O-N 3.33Å; E326-V329 PolarHBondContact O-N 3.26Å; E326-K330 VanDerWaalsContact O-CB 3.25Å; E326-K330 WeakPolarHBondContact O-CB 3.48Å; E326-K330 PolarHBondContact O-N 2.74Å |
| 327 | Q | 95.9 | Very high | 90.3 | Very high | 68 Ų | 68 | 63 Ų | 63 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.9 | -75.8 | -179.9 | -52.1 | 0 | 0 | 111.2 | C319 S324 K330 M331 | C319-Q327 VanDerWaalsContact SG-CB 3.56Å; S324-Q327 PolarHBondContact O-N 3.47Å; S324-Q327 VanDerWaalsContact O-N 3.1Å; S324-Q327 WeakPolarHBondContact OG-CB 3.33Å; S324-Q327 VanDerWaalsContact OG-CG 3.31Å; S324-Q327 WeakPolarHBondContact OG-CG 3.43Å; S324-Q327 PolarHBondContact OG-N 3.2Å; S324-Q327 VanDerWaalsContact OG-N 3.07Å; Q327-K330 PolarHBondContact O-N 2.77Å; Q327-M331 WeakPolarHBondContact O-CG 3.42Å; Q327-M331 PolarHBondContact O-N 3.29Å |
| 328 | F | 96.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 176.5 | -179.3 | -99.7 | 0 | 0 | 0 | 112.7 | L233 A237 I240 M270 I287 V298 L316 S324 A325 M331 T332 | L233-F328 HydrophobicContact CD1-CZ 4.11Å; A237-F328 HydrophobicContact CB-CE1 4.17Å; I240-F328 HydrophobicContact CD1-CD1 3.86Å; I240-F328 HydrophobicContact CD1-CE1 3.66Å; M270-F328 HydrophobicContact SD-CE2 4.45Å; I287-F328 HydrophobicContact CD1-CZ 3.97Å; I287-F328 HydrophobicContact CG2-CE1 4.47Å; I287-F328 HydrophobicContact CG2-CZ 4.22Å; V298-F328 HydrophobicContact CB-CB 4.26Å; V298-F328 HydrophobicContact CB-CG 4.27Å; V298-F328 HydrophobicContact CG1-CD1 4.35Å; V298-F328 HydrophobicContact CG1-CD2 4.06Å; V298-F328 HydrophobicContact CG1-CE2 4.38Å; V298-F328 HydrophobicContact CG1-CG 4.04Å; V298-F328 HydrophobicContact CG2-CB 4.14Å; V298-F328 HydrophobicContact CG2-CD1 4.24Å; V298-F328 HydrophobicContact CG2-CG 4.2Å; L316-F328 HydrophobicContact CD1-CD2 3.57Å; L316-F328 HydrophobicContact CD1-CE2 4.01Å; S324-F328 PolarHBondContact O-N 3.34Å; A325-F328 PolarHBondContact O-N 3Å; F328-M331 WeakPolarHBondContact O-CG 3.21Å; F328-T332 VanDerWaalsContact O-CB 3.28Å; F328-T332 WeakPolarHBondContact O-CB 3.13Å; F328-T332 PolarHBondContact O-N 3Å; F328-T332 PolarHBondContact O-OG1 3.24Å |
| 329 | V | 95.6 | Very high | 89.7 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 178.1 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | A237 I240 A325 E326 M331 T332 I333 | A237-V329 HydrophobicContact CB-CG2 4.39Å; I240-V329 HydrophobicContact CG2-CG2 4.27Å; A325-V329 WeakPolarHBondContact O-CB 3.47Å; A325-V329 WeakPolarHBondContact O-CG2 3.36Å; A325-V329 PolarHBondContact O-N 3.33Å; E326-V329 PolarHBondContact O-N 3.26Å; V329-M331 PolarHBondContact O-N 3.28Å; V329-T332 PolarHBondContact O-N 2.89Å; V329-I333 HydrophobicContact CG1-CD1 3.41Å; V329-I333 VanDerWaalsContact CG1-CD1 3.41Å; V329-I333 HydrophobicContact CG1-CG1 3.94Å; V329-I333 WeakPolarHBondContact O-CB 3.18Å; V329-I333 WeakPolarHBondContact O-CG1 3.32Å; V329-I333 PolarHBondContact O-N 2.81Å |
| 330 | K | 93.7 | Very high | 89.7 | Confident | 173 Ų | 173 | 64.7 Ų | 64.7 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | 179.8 | -177.6 | 179.7 | 178.1 | -178.9 | 0 | 112.8 | E326 Q327 T332 | E326-K330 VanDerWaalsContact O-CB 3.25Å; E326-K330 WeakPolarHBondContact O-CB 3.48Å; E326-K330 PolarHBondContact O-N 2.74Å; Q327-K330 PolarHBondContact O-N 2.77Å; K330-T332 VanDerWaalsContact C-N 3.28Å |
| 331 | M | 91.6 | Very high | 89.7 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.8 | -23.5 | 178.5 | 68.7 | -172.7 | -60.3 | 0 | 0 | 112.5 | L316 Q327 F328 V329 Q335 | L316-M331 HydrophobicContact CB-CE 4.41Å; L316-M331 HydrophobicContact CD1-SD 4.29Å; L316-M331 HydrophobicContact CD2-CE 4.37Å; Q327-M331 WeakPolarHBondContact O-CG 3.42Å; Q327-M331 PolarHBondContact O-N 3.29Å; F328-M331 WeakPolarHBondContact O-CG 3.21Å; V329-M331 PolarHBondContact O-N 3.28Å; M331-Q335 WeakPolarHBondContact O-CG 3.25Å; M331-Q335 PolarHBondContact O-NE2 3.47Å |
| 332 | T | 90.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -95.1 | -47 | -174.8 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | L233 A237 F328 V329 K330 G334 Q335 | L233-T332 VanDerWaalsContact C-CG2 3.49Å; L233-T332 HydrophobicContact CB-CG2 4.25Å; L233-T332 HydrophobicContact CD1-CG2 4.3Å; L233-T332 HydrophobicContact CD2-CG2 4.22Å; L233-T332 HydrophobicContact CG-CG2 3.55Å; L233-T332 WeakPolarHBondContact O-CG2 3.38Å; A237-T332 HydrophobicContact CB-CG2 3.32Å; F328-T332 VanDerWaalsContact O-CB 3.28Å; F328-T332 WeakPolarHBondContact O-CB 3.13Å; F328-T332 PolarHBondContact O-N 3Å; F328-T332 PolarHBondContact O-OG1 3.24Å; V329-T332 PolarHBondContact O-N 2.89Å; K330-T332 VanDerWaalsContact C-N 3.28Å; T332-G334 PolarHBondContact O-N 3.43Å; T332-Q335 WeakPolarHBondContact O-CB 3.45Å; T332-Q335 WeakPolarHBondContact O-CG 3.44Å; T332-Q335 PolarHBondContact O-N 3.31Å; T332-Q335 VanDerWaalsContact O-N 3.16Å |
| 333 | I | 82.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 35% | 0.349 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 128.5 | -174.5 | -69.1 | -172.2 | 0 | 0 | 0 | 109.4 | A237 K241 V329 | A237-I333 HydrophobicContact CB-CG1 4.21Å; K241-I333 HydrophobicContact CD-CD1 4.35Å; V329-I333 HydrophobicContact CG1-CD1 3.41Å; V329-I333 VanDerWaalsContact CG1-CD1 3.41Å; V329-I333 HydrophobicContact CG1-CG1 3.94Å; V329-I333 WeakPolarHBondContact O-CB 3.18Å; V329-I333 WeakPolarHBondContact O-CG1 3.32Å; V329-I333 PolarHBondContact O-N 2.81Å |
| 334 | G | 78.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 62% | 0.619 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 0.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T332 S336 | T332-G334 PolarHBondContact O-N 3.43Å; G334-S336 VanDerWaalsContact C-N 3.32Å |
| 335 | Q | 78.6 | Confident | 89.3 | Confident | 50 Ų | 50 | 58 Ų | 58 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -72 | -29.1 | 166.1 | -68.8 | -167.2 | 5.3 | 0 | 0 | 112.3 | P226 A230 N269 M331 T332 | P226-Q335 WeakPolarHBondContact CB-O 3.44Å; A230-Q335 HydrophobicContact CB-CB 4.45Å; N269-Q335 PolarHBondContact O-NE2 3.04Å; N269-Q335 PolarHBondContact O-OE1 3.24Å; M331-Q335 WeakPolarHBondContact O-CG 3.25Å; M331-Q335 PolarHBondContact O-NE2 3.47Å; T332-Q335 WeakPolarHBondContact O-CB 3.45Å; T332-Q335 WeakPolarHBondContact O-CG 3.44Å; T332-Q335 PolarHBondContact O-N 3.31Å; T332-Q335 VanDerWaalsContact O-N 3.16Å |
| 336 | S | 78.2 | Confident | 88.5 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -86.8 | 153.4 | 178.7 | 92.7 | 0 | 0 | 0 | 0 | 111.5 | Q234 G334 | Q234-S336 VanDerWaalsContact CD-OG 3.22Å; Q234-S336 PolarHBondContact OE1-OG 2.99Å; G334-S336 VanDerWaalsContact C-N 3.32Å |
| 337 | E | 76.9 | Confident | 87.3 | Confident | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | trans | -80 | 125.1 | 175.5 | -63.8 | -82.5 | -162.9 | 0 | 0 | 109.7 | P226 L227 D339 R343 | P226-E337 HydrophobicContact CB-CG 4.34Å; L227-E337 HydrophobicContact CD2-CB 4.39Å; L227-E337 HydrophobicContact CD2-CG 3.94Å; E337-D339 PolarHBondContact O-N 3.01Å; E337-R343 HydrophobicContact CB-CB 4.43Å; E337-R343 HydrophobicContact CB-CG 4.44Å; E337-R343 HydrophobicContact CG-CG 4Å; E337-R343 IonicContact OE1-NE 2.64Å; E337-R343 PolarHBondContact OE1-NE 3.1Å | ||
| 338 | D | 77.9 | Confident | 85.2 | Confident | 158 Ų | 158 | 61.4 Ų | 61.4 | 85% | 0.845 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.3 | -176.4 | -75.1 | -29.2 | 0 | 0 | 0 | 112.6 | ||
| 339 | D | 88.8 | Confident | 82.7 | Confident | 79 Ų | 79 | 69 Ų | 69 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 86 | 171.6 | -170.2 | -17.3 | 0 | 0 | 0 | 110.7 | E337 F341 A342 R343 | E337-D339 PolarHBondContact O-N 3.01Å; D339-F341 VanDerWaalsContact C-N 3.26Å; D339-F341 PolarHBondContact O-N 2.9Å; D339-F341 PolarHBondContact OD1-N 2.9Å; D339-F341 VanDerWaalsContact OD1-N 3.13Å; D339-A342 HydrophobicContact CB-CB 3.94Å; D339-A342 PolarHBondContact O-N 3Å; D339-A342 PolarHBondContact OD1-N 2.9Å; D339-A342 WeakPolarHBondContact OD2-CB 3.29Å; D339-R343 WeakPolarHBondContact O-CB 3.45Å; D339-R343 PolarHBondContact O-N 3.07Å |
| 340 | W | 92.5 | Very high | 80.1 | Confident | 6 Ų | 6 | 76 Ų | 76 | 2% | 0.023 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.2 | -38.5 | 176.8 | -176.1 | 103.1 | 0 | 0 | 0 | 112.7 | L128 K129 C130 L227 R343 C344 | L128-W340 HydrophobicContact CB-CH2 3.91Å; L128-W340 HydrophobicContact CB-CZ2 4.2Å; L128-W340 HydrophobicContact CD2-CE3 4.32Å; L128-W340 HydrophobicContact CD2-CH2 3.59Å; L128-W340 HydrophobicContact CD2-CZ2 4.28Å; L128-W340 HydrophobicContact CD2-CZ3 3.6Å; L128-W340 HydrophobicContact CG-CH2 3.58Å; L128-W340 HydrophobicContact CG-CZ2 4.34Å; L128-W340 HydrophobicContact CG-CZ3 4.02Å; K129-W340 WeakPolarHBondContact O-CH2 3.28Å; C130-W340 HydrophobicContact CB-CH2 4Å; C130-W340 HydrophobicContact CB-CZ2 3.88Å; L227-W340 HydrophobicContact CD2-CG 4.32Å; L227-W340 PolarHBondContact O-NE1 3.33Å; W340-R343 PolarHBondContact O-N 2.9Å; W340-C344 HydrophobicContact CE3-CB 4.3Å; W340-C344 HydrophobicContact CH2-CB 4.26Å; W340-C344 VanDerWaalsContact CH2-SG 3.52Å; W340-C344 WeakPolarHBondContact CZ2-SG 3.48Å; W340-C344 HydrophobicContact CZ3-CB 4.08Å; W340-C344 VanDerWaalsContact O-CB 3.31Å; W340-C344 WeakPolarHBondContact O-CB 3.41Å; W340-C344 PolarHBondContact O-N 3.44Å; W340-C344 PolarHBondContact O-SG 3.47Å; W340-C344 VanDerWaalsContact O-SG 3.4Å |
| 341 | F | 93 | Very high | 77.5 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | -177.5 | -71.3 | -75.6 | 0 | 0 | 0 | 111.9 | L128 D339 N345 | L128-F341 HydrophobicContact CD2-CE1 4.17Å; L128-F341 HydrophobicContact CD2-CZ 4.38Å; D339-F341 VanDerWaalsContact C-N 3.26Å; D339-F341 PolarHBondContact O-N 2.9Å; D339-F341 PolarHBondContact OD1-N 2.9Å; D339-F341 VanDerWaalsContact OD1-N 3.13Å; F341-N345 PolarHBondContact O-N 3.45Å; F341-N345 PolarHBondContact O-ND2 3.36Å |
| 342 | A | 93 | Very high | 75 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D339 C344 N345 | D339-A342 HydrophobicContact CB-CB 3.94Å; D339-A342 PolarHBondContact O-N 3Å; D339-A342 PolarHBondContact OD1-N 2.9Å; D339-A342 WeakPolarHBondContact OD2-CB 3.29Å; A342-C344 VanDerWaalsContact C-N 3.32Å; A342-C344 PolarHBondContact O-N 3.25Å; A342-N345 CarbonylContact O-C 3.46Å; A342-N345 VanDerWaalsContact O-C 3.28Å; A342-N345 PolarHBondContact O-N 3.08Å; A342-N345 VanDerWaalsContact O-N 3.17Å |
| 343 | R | 91.6 | Very high | 72.6 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 180 | -173.8 | 64.7 | 179.3 | 93 | 0.3 | 113 | Y132 L227 E337 D339 W340 N345 | Y132-R343 VanDerWaalsContact CD2-NH1 3.32Å; Y132-R343 VanDerWaalsContact CG-NH1 3.33Å; Y132-R343 VanDerWaalsContact CZ-CZ 3.49Å; Y132-R343 PolarHBondContact OH-NH2 3.37Å; L227-R343 HydrophobicContact CD1-CG 4.37Å; L227-R343 HydrophobicContact CD2-CB 4.17Å; L227-R343 HydrophobicContact CD2-CG 3.75Å; E337-R343 HydrophobicContact CB-CB 4.43Å; E337-R343 HydrophobicContact CB-CG 4.44Å; E337-R343 HydrophobicContact CG-CG 4Å; E337-R343 IonicContact OE1-NE 2.64Å; E337-R343 PolarHBondContact OE1-NE 3.1Å; D339-R343 WeakPolarHBondContact O-CB 3.45Å; D339-R343 PolarHBondContact O-N 3.07Å; W340-R343 PolarHBondContact O-N 2.9Å; R343-N345 VanDerWaalsContact C-N 3.35Å |
| 344 | C | 94.3 | Very high | 70.8 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -74.3 | -22.9 | 177 | -78.4 | 0 | 0 | 0 | 0 | 113.9 | C130 P131 Y132 W340 A342 P346 | C130-C344 HydrophobicContact CB-CB 3.86Å; C130-C344 WeakPolarHBondContact CB-SG 3.41Å; C130-C344 WeakPolarHBondContact SG-CA 3.31Å; C130-C344 WeakPolarHBondContact SG-CB 3.43Å; C130-C344 CovalentContact SG-SG 2.03Å; C130-C344 PolarHBondContact SG-SG 2.74Å; P131-C344 WeakPolarHBondContact CD-O 3.33Å; Y132-C344 PolarHBondContact N-O 3.01Å; Y132-C344 VanDerWaalsContact N-O 3.14Å; W340-C344 HydrophobicContact CE3-CB 4.3Å; W340-C344 HydrophobicContact CH2-CB 4.26Å; W340-C344 VanDerWaalsContact CH2-SG 3.52Å; W340-C344 WeakPolarHBondContact CZ2-SG 3.48Å; W340-C344 HydrophobicContact CZ3-CB 4.08Å; W340-C344 VanDerWaalsContact O-CB 3.31Å; W340-C344 WeakPolarHBondContact O-CB 3.41Å; W340-C344 PolarHBondContact O-N 3.44Å; W340-C344 PolarHBondContact O-SG 3.47Å; W340-C344 VanDerWaalsContact O-SG 3.4Å; A342-C344 VanDerWaalsContact C-N 3.32Å; A342-C344 PolarHBondContact O-N 3.25Å; C344-P346 VanDerWaalsContact C-CD 3.44Å; C344-P346 WeakPolarHBondContact O-CD 3.42Å |
| 345 | N | 92.7 | Very high | 68.9 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | trans | -126.6 | 61.6 | -177.9 | -59.4 | -82.5 | 0 | 0 | 0 | 112.2 | F341 A342 R343 T347 N348 | F341-N345 PolarHBondContact O-N 3.45Å; F341-N345 PolarHBondContact O-ND2 3.36Å; A342-N345 CarbonylContact O-C 3.46Å; A342-N345 VanDerWaalsContact O-C 3.28Å; A342-N345 PolarHBondContact O-N 3.08Å; A342-N345 VanDerWaalsContact O-N 3.17Å; R343-N345 VanDerWaalsContact C-N 3.35Å; N345-T347 PolarHBondContact O-N 2.9Å; N345-T347 VanDerWaalsContact O-N 3.15Å; N345-N348 PolarHBondContact O-N 3.14Å | ||
| 346 | P | 80.7 | Confident | 66.9 | Low | 69 Ų | 69 | 84.2 Ų | 84.2 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18 | -170.9 | 26.8 | -35 | 0 | 0 | 0 | 114.5 | Y132 C344 | Y132-P346 HydrophobicContact CD2-CG 4.35Å; C344-P346 VanDerWaalsContact C-CD 3.44Å; C344-P346 WeakPolarHBondContact O-CD 3.42Å |
| 347 | T | 70.3 | Confident | 64.7 | Low | 130 Ų | 130 | 86.2 Ų | 86.2 | 80% | 0.798 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.8 | -179 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | N345 N349 | N345-T347 PolarHBondContact O-N 2.9Å; N345-T347 VanDerWaalsContact O-N 3.15Å; T347-N349 PolarHBondContact O-N 2.78Å |
| 348 | N | 52.1 | Low | 62.6 | Low | 99 Ų | 99 | 90.9 Ų | 90.9 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | trans | -80.6 | 44 | 172.1 | -76.9 | -8.8 | 0 | 0 | 0 | 112.7 | N345 E350 | N345-N348 PolarHBondContact O-N 3.14Å; N348-E350 PolarHBondContact O-N 3.28Å | ||
| 349 | N | 43.5 | Very low | 60.6 | Low | 159 Ų | 159 | 91.4 Ų | 91.4 | 85% | 0.85 | 50% | 0.496 | S | S | * | . | trans | -79.4 | 2.6 | 172.2 | -94 | -10 | 0 | 0 | 0 | 113.5 | T347 | T347-N349 PolarHBondContact O-N 2.78Š| ||
| 350 | E | 40.7 | Very low | 58 | Low | 171 Ų | 171 | 93.1 Ų | 93.1 | 80% | 0.799 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -105.7 | 117.3 | 162.3 | -65.4 | -172.6 | 177 | 0 | 0 | 108.5 | N348 | N348-E350 PolarHBondContact O-N 3.28Š|
| 351 | T | 38.7 | Very low | 55 | Low | 122 Ų | 122 | 100.9 Ų | 100.9 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 69.3 | 43.1 | 164 | 58.6 | 0 | 0 | 0 | 0 | 121.4 | ||
| 352 | S | 40.7 | Very low | 52.2 | Low | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 56% | 0.555 | S | S | . | * | trans | -110.9 | 25.1 | 163.5 | -151 | 0 | 0 | 0 | 0 | 116.3 | T354 | S352-T354 VanDerWaalsContact C-N 3.28Š| ||
| 353 | T | 39.6 | Very low | 49.3 | Very low | 131 Ų | 131 | 104.6 Ų | 104.6 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -80.9 | 0.2 | 164.4 | 36.7 | 0 | 0 | 0 | 0 | 114 | ||
| 354 | T | 43.5 | Very low | 46.5 | Very low | 92 Ų | 92 | 105.3 Ų | 105.3 | 56% | 0.564 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -124.1 | 0.9 | -175.1 | 41.5 | 0 | 0 | 0 | 0 | 117.8 | S352 | S352-T354 VanDerWaalsContact C-N 3.28Š|
| 355 | T | 39.2 | Very low | 43.4 | Very low | 85 Ų | 85 | 112.1 Ų | 112.1 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -111.9 | -30.7 | 177.6 | -32 | 0 | 0 | 0 | 0 | 114.3 | K358 | T355-K358 PolarHBondContact O-N 3.35Š|
| 356 | L | 36.7 | Very low | 40.4 | Very low | 82 Ų | 82 | 113.7 Ų | 113.7 | 43% | 0.429 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -25.8 | 177 | -91.7 | 150.1 | 0 | 0 | 0 | 113.6 | K358 Y359 L360 | L356-K358 PolarHBondContact O-N 3.46Å; L356-Y359 PolarHBondContact O-N 3.43Å; L356-L360 HydrophobicContact CD2-CD1 4.26Å; L356-L360 PolarHBondContact O-N 2.9Å |
| 357 | S | 33.3 | Very low | 38.1 | Very low | 56 Ų | 56 | 116.5 Ų | 116.5 | 39% | 0.392 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.3 | -18.6 | 172.8 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | F361 | S357-F361 WeakPolarHBondContact O-CD2 3.44Å |
| 358 | K | 30.9 | Very low | 36.1 | Very low | 162 Ų | 162 | 117.8 Ų | 117.8 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.9 | -21.6 | 176.7 | -76.7 | -175.9 | 178.7 | 176.6 | 0 | 114 | T355 L356 | T355-K358 PolarHBondContact O-N 3.35Å; L356-K358 PolarHBondContact O-N 3.46Å |
| 359 | Y | 37 | Very low | 34.9 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -106.5 | -25.6 | -179.6 | -74.1 | -81.4 | 0 | 0 | 0 | 113.7 | L356 F361 | L356-Y359 PolarHBondContact O-N 3.43Å; Y359-F361 VanDerWaalsContact C-N 3.35Å; Y359-F361 PolarHBondContact O-N 3.3Å |
| 360 | L | 33.9 | Very low | 34.2 | Very low | 116 Ų | 116 | 122 Ų | 122 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.7 | -15.3 | 177 | -78.3 | 160.5 | 0 | 0 | 0 | 114.4 | L356 | L356-L360 HydrophobicContact CD2-CD1 4.26Å; L356-L360 PolarHBondContact O-N 2.9Å |
| 361 | F | 30.6 | Very low | 33.6 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 74% | 0.737 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 13.9 | 175.9 | -82.4 | -76.3 | 0 | 0 | 0 | 115.1 | S357 Y359 | S357-F361 WeakPolarHBondContact O-CD2 3.44Å; Y359-F361 VanDerWaalsContact C-N 3.35Å; Y359-F361 PolarHBondContact O-N 3.3Å |
| 362 | S | 33.9 | Very low | 33.8 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -0.8 | 172.8 | 79.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 363 | T | 32.1 | Very low | 33.4 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -118.7 | 1.7 | 178.2 | 55 | 0 | 0 | 0 | 0 | 115.1 | N365 | T363-N365 PolarHBondContact O-N 2.97Š|
| 364 | S | 32.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 48.4 | 164.1 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 365 | N | 28 | Very low | 32.5 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.1 | 46 | 161.8 | -93.6 | -32.9 | 0 | 0 | 0 | 111.5 | T363 N367 | T363-N365 PolarHBondContact O-N 2.97Å; N365-N367 PolarHBondContact O-N 3.39Å |
| 366 | A | 31.3 | Very low | 32.2 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | trans | -92.1 | 53.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L368 | A366-L368 VanDerWaalsContact C-N 3.31Å; A366-L368 PolarHBondContact O-N 3.34Å; A366-L368 VanDerWaalsContact O-N 3.08Å | ||
| 367 | N | 30.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | trans | -69.4 | 101 | 157.2 | -90.3 | -48.9 | 0 | 0 | 0 | 105.7 | N365 R369 | N365-N367 PolarHBondContact O-N 3.39Å; N367-R369 PolarHBondContact O-N 2.96Å | ||
| 368 | L | 29.2 | Very low | 31.8 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 73.9 | 167.7 | -141.7 | 94.2 | 0 | 0 | 0 | 108.2 | A366 I370 | A366-L368 VanDerWaalsContact C-N 3.31Å; A366-L368 PolarHBondContact O-N 3.34Å; A366-L368 VanDerWaalsContact O-N 3.08Å; L368-I370 HydrophobicContact CD2-CD1 4.49Å | ||
| 369 | R | 26.6 | Very low | 31.8 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -94.3 | 93.9 | 161.4 | -77.3 | -167.1 | 177.6 | -151.3 | 0.7 | 106.2 | N367 L371 | N367-R369 PolarHBondContact O-N 2.96Å; R369-L371 PolarHBondContact O-N 3.23Å | ||
| 370 | I | 29.4 | Very low | 31.4 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | -58.7 | 104 | 164.8 | -61.7 | 171.2 | 0 | 0 | 0 | 106 | L368 | L368-I370 HydrophobicContact CD2-CD1 4.49Š| ||
| 371 | L | 27.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -93 | 116.9 | 171.5 | -78.4 | 163.6 | 0 | 0 | 0 | 107.8 | R369 | R369-L371 PolarHBondContact O-N 3.23Š| ||
| 372 | F | 43.3 | Very low | 31.3 | Very low | 269 Ų | 269 | 142.5 Ų | 142.5 | 100% | 1.18 | 76% | 0.76 | S | S | * | * | trans | -92.3 | 0 | 138.8 | -80.5 | -76.6 | 0 | 0 | 0 | 108 |
Retrieved 372 of 372 residues in 214.3 ms
(Link to these results)