A0A3Q0KGV2_SCHMA Loading...

L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase

AlphaFold DB , UniProt , Accession A0A3Q0KGV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 aa.

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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
1M37.5Very low59.7Low209 Ų209119.4 Ų119.4100%1.0359%0.59SS**  01120-148.8171.3-168.100106.1Y3M1-Y3 PolarHBondContact O-N 3.29Å; M1-Y3 HydrophobicContact SD-CE2 4.43Å
2F41.4Very low62.6Low212 Ų212112 Ų11293%0.9355%0.554SS**  trans-77.695.7-176.4-77.3-87.3000109.5S4F2-S4 PolarHBondContact O-N 3.18Å
3Y49.9Very low65.2Low139 Ų139104.5 Ų104.555%0.54552%0.515SS..  trans-77.676.2161.9-76.6-82.8000108M1M1-Y3 PolarHBondContact O-N 3.29Å; M1-Y3 HydrophobicContact SD-CE2 4.43Å
4S41.3Very low67.5Low89 Ų8998.6 Ų98.662%0.62249%0.486SS*.  trans-104.947.5170.3177.80000109.6F2F2-S4 PolarHBondContact O-N 3.18Å
5T50.1Low69.6Low113 Ų11392 Ų9269%0.69345%0.453SS*.SBendtrans-83121.7154.1-46.70000104.5M7T5-M7 PolarHBondContact O-N 2.59Å
6F52.3Low71.4Confident196 Ų19686.8 Ų86.886%0.8643%0.427SS*.  trans-54.284178.4-79-99.1000110.2K8F6-K8 PolarHBondContact O-N 2.78Å
7M62.2Low72.9Confident67 Ų6782.5 Ų82.533%0.3341%0.408SS..  trans-66.6122.4171.8-70.8-164175.900106.3T5 A9 Y69 V95T5-M7 PolarHBondContact O-N 2.59Å; M7-A9 PolarHBondContact O-N 3.25Å; M7-A9 VanDerWaalsContact O-N 3.16Å; M7-Y69 HydrophobicContact SD-CD1 4.24Å; M7-Y69 HydrophobicContact SD-CE1 3.7Å; M7-V95 HydrophobicContact SD-CG1 4.08Å
8K68.3Low74.3Confident180 Ų18078.2 Ų78.278%0.78339%0.387SS*.  trans-59.4125.3176.2-75.2-178.3179.7177.70108.3F6 T10 Y69F6-K8 PolarHBondContact O-N 2.78Å; K8-T10 WeakPolarHBondContact O-CB 3.14Å; K8-T10 PolarHBondContact O-N 2.79Å; K8-T10 PolarHBondContact O-OG1 2.79Å; K8-Y69 PolarHBondContact O-OH 3.42Å
9A76.6Confident75.4Confident45 Ų4574.5 Ų74.537%0.37237%0.37SS..  trans-23.3102.7155.200000112.9M7 E114 K241M7-A9 PolarHBondContact O-N 3.25Å; M7-A9 VanDerWaalsContact O-N 3.16Å; A9-E114 HydrophobicContact CB-CG 4.12Å; A9-E114 WeakPolarHBondContact CB-OE1 3.5Å; A9-E114 VanDerWaalsContact CB-OE2 3.31Å; A9-E114 WeakPolarHBondContact CB-OE2 3.11Å; A9-K241 PolarHBondContact O-NZ 2.83Å
10T85.1Confident76.3Confident36 Ų3676 Ų7622%0.22138%0.379CS..  trans-125.9141.9-168.2-76.30000112.4K8 I12 Y69 T112 S113K8-T10 WeakPolarHBondContact O-CB 3.14Å; K8-T10 PolarHBondContact O-N 2.79Å; K8-T10 PolarHBondContact O-OG1 2.79Å; T10-I12 HydrophobicContact CG2-CD1 3.95Å; T10-I12 HydrophobicContact CG2-CG1 3.53Å; T10-Y69 VanDerWaalsContact CB-CE2 3.49Å; T10-Y69 HydrophobicContact CG2-CD2 4.05Å; T10-Y69 HydrophobicContact CG2-CE2 3.67Å; T10-T112 VanDerWaalsContact O-CA 3.29Å; T10-T112 WeakPolarHBondContact O-CA 3.37Å; T10-T112 PolarHBondContact O-OG1 3.14Å; T10-S113 PolarHBondContact N-OG 3.16Å; T10-S113 VanDerWaalsContact N-OG 3.15Å; T10-S113 PolarHBondContact O-N 3.39Å
11R91.6Very high77.3Confident27 Ų2774 Ų7410%0.10237%0.367CS..EExtended strand (participates in β ladder)trans-125.2115.5164.3-66.3-176.1-1751765.8108.4R13 A111 E218 W232 E234R11-R13 PolarHBondContact O-NH1 2.74Å; R11-A111 CarbonylContact C-O 3.49Å; R11-A111 WeakPolarHBondContact CA-O 3.19Å; R11-E218 IonicContact NH1-OE1 3.88Å; R11-E218 PolarHBondContact NH1-OE1 2.83Å; R11-W232 HydrophobicContact CB-CH2 3.92Å; R11-W232 HydrophobicContact CB-CZ2 3.98Å; R11-W232 HydrophobicContact CB-CZ3 4.34Å; R11-W232 HydrophobicContact CG-CD2 4.27Å; R11-W232 HydrophobicContact CG-CE3 4.22Å; R11-W232 HydrophobicContact CG-CH2 4.26Å; R11-W232 HydrophobicContact CG-CZ2 4.27Å; R11-W232 HydrophobicContact CG-CZ3 4.25Å; R11-E234 IonicContact CZ-OE1 2.72Å; R11-E234 IonicContact NE-OE1 3.65Å; R11-E234 PolarHBondContact NE-OE1 3.35Å; R11-E234 IonicContact NH2-OE1 2.65Å; R11-E234 PolarHBondContact NH2-OE1 2.86Å; R11-E234 IonicContact NH2-OE2 3.18Å; R11-E234 PolarHBondContact NH2-OE2 2.74Å; R11-E234 VanDerWaalsContact NH2-OE2 3.07Å
12I94.5Very high80Confident31 Ų3169.3 Ų69.316%0.15936%0.355CS..EExtended strand (participates in β ladder)trans-103.2137.6178.3-62.8168.6000108.8T10 E14 T65 Y69 A110 A111T10-I12 HydrophobicContact CG2-CD1 3.95Å; T10-I12 HydrophobicContact CG2-CG1 3.53Å; I12-E14 HydrophobicContact CG2-CG 3.77Å; I12-T65 HydrophobicContact CD1-CG2 3.82Å; I12-Y69 HydrophobicContact CD1-CD2 4.21Å; I12-A110 WeakPolarHBondContact O-CA 3.17Å; I12-A111 HydrophobicContact CB-CB 4.16Å; I12-A111 HydrophobicContact CD1-CB 4.46Å; I12-A111 PolarHBondContact N-O 2.7Å; I12-A111 PolarHBondContact O-N 2.71Å
13R96.1Very high82.7Confident14 Ų1460 Ų605%0.05332%0.316CS..EExtended strand (participates in β ladder)trans-136.8103.3175.4-61.5164.6-162.580.9-1.5107.7R11 E218 W232 T244 F246 S247R11-R13 PolarHBondContact O-NH1 2.74Å; R13-E218 IonicContact CZ-OE1 3.25Å; R13-E218 IonicContact CZ-OE2 2.74Å; R13-E218 IonicContact NE-OE1 3.51Å; R13-E218 IonicContact NE-OE2 3.99Å; R13-E218 PolarHBondContact NE-OE2 3.44Å; R13-E218 VanDerWaalsContact NH2-CD 3.35Å; R13-E218 IonicContact NH2-OE1 3.44Å; R13-E218 PolarHBondContact NH2-OE1 3.2Å; R13-E218 IonicContact NH2-OE2 3.31Å; R13-E218 PolarHBondContact NH2-OE2 3.29Å; R13-W232 HydrophobicContact CG-CZ2 4.09Å; R13-T244 WeakPolarHBondContact CD-O 3.49Å; R13-T244 PolarHBondContact NH1-OG1 3.44Å; R13-T244 VanDerWaalsContact NH1-OG1 3.1Å; R13-F246 HydrophobicContact CB-CD1 3.73Å; R13-F246 HydrophobicContact CB-CD2 4.13Å; R13-F246 HydrophobicContact CB-CE1 3.81Å; R13-F246 HydrophobicContact CB-CE2 4.23Å; R13-F246 HydrophobicContact CB-CG 3.9Å; R13-F246 HydrophobicContact CB-CZ 4.08Å; R13-F246 HydrophobicContact CG-CE2 4.45Å; R13-F246 HydrophobicContact CG-CZ 4.38Å; R13-S247 PolarHBondContact O-N 2.97Å
14E97.9Very high85Confident22 Ų2256.9 Ų56.910%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-126.2141.1-179.7-66.5178.8157.900110.1I12 L61 R64 I108 I109 S247 L249I12-E14 HydrophobicContact CG2-CG 3.77Å; E14-L61 HydrophobicContact CB-CD2 4.26Å; E14-R64 IonicContact OE1-CZ 2.74Å; E14-R64 IonicContact OE1-NH1 3.48Å; E14-R64 PolarHBondContact OE1-NH1 3.12Å; E14-R64 IonicContact OE1-NH2 3.34Å; E14-R64 PolarHBondContact OE1-NH2 3.13Å; E14-R64 IonicContact OE2-CZ 3.48Å; E14-R64 IonicContact OE2-NH1 3.9Å; E14-R64 PolarHBondContact OE2-NH1 3.13Å; E14-I108 CarbonylContact O-C 3.57Å; E14-I108 WeakPolarHBondContact O-CA 3.01Å; E14-I109 HydrophobicContact CB-CG2 3.74Å; E14-I109 PolarHBondContact N-O 3.21Å; E14-I109 PolarHBondContact O-N 3.11Å; E14-S247 WeakPolarHBondContact CA-O 3.45Å; E14-L249 HydrophobicContact CB-CD1 4.15Å; E14-L249 HydrophobicContact CB-CG 4.32Å; E14-L249 HydrophobicContact CG-CD1 4.44Å; E14-L249 HydrophobicContact CG-CD2 4.39Å
15A98.4Very high87.7Confident0 Ų056.8 Ų56.80%030%0.3CS..EExtended strand (participates in β ladder)trans-130.1145.3-177.900000109.6F106 I108 L222 F246 S247 Q248 L249A15-F106 HydrophobicContact CB-CD1 4.12Å; A15-F106 HydrophobicContact CB-CE1 4.47Å; A15-I108 HydrophobicContact CB-CG2 3.72Å; A15-L222 HydrophobicContact CB-CD1 4.47Å; A15-F246 HydrophobicContact CB-CB 4.21Å; A15-F246 HydrophobicContact CB-CD1 3.93Å; A15-F246 HydrophobicContact CB-CG 4.4Å; A15-S247 PolarHBondContact N-O 2.94Å; A15-Q248 CarbonylContact O-C 3.57Å; A15-Q248 WeakPolarHBondContact O-CA 3.36Å; A15-L249 PolarHBondContact O-N 3.48Å
16F98.7Very high90Very high8 Ų855.5 Ų55.54%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-134.3127.7171.2-172.6-87.2000109.5H18 W21 V57 T107 L249 F251 L254F16-H18 VanDerWaalsContact C-N 3.31Å; F16-H18 HydrophobicContact CD1-CB 4.17Å; F16-H18 HydrophobicContact CE1-CB 4.48Å; F16-H18 PolarHBondContact O-N 3.13Å; F16-W21 HydrophobicContact CE1-CB 3.99Å; F16-W21 AromaticContact CE1-CD2 3.8Å; F16-W21 HydrophobicContact CE1-CD2 3.8Å; F16-W21 AromaticContact CE1-CE3 3.74Å; F16-W21 HydrophobicContact CE1-CE3 3.74Å; F16-W21 AromaticContact CE1-CG 3.94Å; F16-W21 HydrophobicContact CE1-CG 3.94Å; F16-W21 HydrophobicContact CE1-CZ3 4.42Å; F16-W21 HydrophobicContact CZ-CB 4.33Å; F16-W21 AromaticContact CZ-CD2 3.82Å; F16-W21 HydrophobicContact CZ-CD2 3.82Å; F16-W21 HydrophobicContact CZ-CE3 4.14Å; F16-W21 AromaticContact CZ-CG 3.92Å; F16-W21 HydrophobicContact CZ-CG 3.92Å; F16-V57 HydrophobicContact CB-CG1 3.61Å; F16-V57 HydrophobicContact CD1-CB 4.28Å; F16-V57 HydrophobicContact CD1-CG1 3.62Å; F16-V57 HydrophobicContact CD1-CG2 3.61Å; F16-V57 HydrophobicContact CE1-CG2 3.8Å; F16-V57 HydrophobicContact CG-CG1 3.83Å; F16-V57 HydrophobicContact CG-CG2 4.48Å; F16-T107 PolarHBondContact N-O 3.1Å; F16-T107 PolarHBondContact O-N 2.92Å; F16-L249 HydrophobicContact CD2-CB 4.29Å; F16-L249 VanDerWaalsContact CD2-O 3.32Å; F16-L249 WeakPolarHBondContact CD2-O 3.45Å; F16-F251 HydrophobicContact CE2-CB 4.47Å; F16-L254 HydrophobicContact CD1-CD2 4.25Å; F16-L254 HydrophobicContact CD2-CB 4.08Å; F16-L254 HydrophobicContact CD2-CD2 3.74Å; F16-L254 HydrophobicContact CD2-CG 4.35Å; F16-L254 HydrophobicContact CE1-CD2 4.25Å; F16-L254 HydrophobicContact CE2-CB 4.11Å; F16-L254 HydrophobicContact CE2-CD2 3.73Å; F16-L254 HydrophobicContact CG-CD2 4Å; F16-L254 HydrophobicContact CZ-CD2 3.99Å
17C98.1Very high92.2Very high15 Ų1548 Ų4810%0.10126%0.264CS..  trans-83.273.5-177.9-167.50000110.4G19 L20 W21 D105 F106C17-G19 PolarHBondContact O-N 2.93Å; C17-L20 PolarHBondContact O-N 3.41Å; C17-W21 PolarHBondContact O-N 3.41Å; C17-D105 CarbonylContact C-O 3.53Å; C17-D105 VanDerWaalsContact CA-O 3.24Å; C17-D105 WeakPolarHBondContact CA-O 3.37Å; C17-F106 HydrophobicContact CB-CD1 4.17Å; C17-F106 HydrophobicContact CB-CE1 3.7Å; C17-F106 HydrophobicContact CB-CE2 4.48Å; C17-F106 HydrophobicContact CB-CZ 3.86Å
18H97.8Very high93.9Very high5 Ų544.8 Ų44.82%0.02325%0.249CC..THydrogen-bonded Turntrans-63.4-27.8-178.670.7-94.6000112.9F16 L20 W21 L53 S54 V57 G104 D105 F106 T107F16-H18 VanDerWaalsContact C-N 3.31Å; F16-H18 HydrophobicContact CD1-CB 4.17Å; F16-H18 HydrophobicContact CE1-CB 4.48Å; F16-H18 PolarHBondContact O-N 3.13Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-L20 PolarHBondContact O-N 2.99Å; H18-W21 PolarHBondContact O-N 2.92Å; H18-L53 HydrophobicContact CB-CB 4.23Å; H18-S54 WeakPolarHBondContact NE2-CB 3.4Å; H18-V57 HydrophobicContact CB-CB 4.47Å; H18-V57 HydrophobicContact CB-CG2 4.02Å; H18-G104 PolarHBondContact NE2-O 3.49Å; H18-D105 VanDerWaalsContact CE1-C 3.49Å; H18-D105 PolarHBondContact N-O 2.76Å; H18-D105 PolarHBondContact ND1-O 3.21Å; H18-F106 PolarHBondContact CE1-N 3.17Å; H18-F106 PolarHBondContact CE1-O 3.45Å; H18-F106 VanDerWaalsContact CE1-O 3.28Å; H18-T107 PolarHBondContact CE1-OG1 3.42Å; H18-T107 PolarHBondContact ND1-N 3.49Å; H18-T107 VanDerWaalsContact ND1-N 3.19Å; H18-T107 PolarHBondContact ND1-OG1 2.65Å
19G95Very high95.3Very high7 Ų737 Ų377%0.07222%0.215CC..THydrogen-bonded Turntrans-74.4-19.6-176.600000114.5C17 D105C17-G19 PolarHBondContact O-N 2.93Å; G19-D105 PolarHBondContact N-O 3.38Å
20L93.2Very high96.4Very high104 Ų10438 Ų3855%0.54521%0.211SC..THydrogen-bonded Turntrans-108.5-1.2173.9-59.9-178.7000112.6C17 H18 S22 Q224C17-L20 PolarHBondContact O-N 3.41Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-L20 PolarHBondContact O-N 2.99Å; L20-S22 PolarHBondContact O-N 3.5Å; L20-Q224 HydrophobicContact CD1-CG 4.06Å
21W96.4Very high97Very high35 Ų3536.2 Ų36.213%0.13320%0.201CC..  trans-78.6118.2178.4-179.543.1000110.5F16 C17 H18 P23 D27 L53 V57 F251F16-W21 HydrophobicContact CE1-CB 3.99Å; F16-W21 AromaticContact CE1-CD2 3.8Å; F16-W21 HydrophobicContact CE1-CD2 3.8Å; F16-W21 AromaticContact CE1-CE3 3.74Å; F16-W21 HydrophobicContact CE1-CE3 3.74Å; F16-W21 AromaticContact CE1-CG 3.94Å; F16-W21 HydrophobicContact CE1-CG 3.94Å; F16-W21 HydrophobicContact CE1-CZ3 4.42Å; F16-W21 HydrophobicContact CZ-CB 4.33Å; F16-W21 AromaticContact CZ-CD2 3.82Å; F16-W21 HydrophobicContact CZ-CD2 3.82Å; F16-W21 HydrophobicContact CZ-CE3 4.14Å; F16-W21 AromaticContact CZ-CG 3.92Å; F16-W21 HydrophobicContact CZ-CG 3.92Å; C17-W21 PolarHBondContact O-N 3.41Å; H18-W21 PolarHBondContact O-N 2.92Å; W21-P23 HydrophobicContact CD2-CB 4.17Å; W21-P23 HydrophobicContact CD2-CG 4.5Å; W21-P23 HydrophobicContact CE3-CB 4.47Å; W21-P23 HydrophobicContact CH2-CB 3.96Å; W21-P23 HydrophobicContact CZ2-CB 3.6Å; W21-P23 HydrophobicContact CZ3-CB 4.38Å; W21-P23 WeakPolarHBondContact O-CD 3.28Å; W21-D27 HydrophobicContact CZ2-CB 3.95Å; W21-L53 HydrophobicContact CE3-CD1 4.33Å; W21-L53 HydrophobicContact CE3-CD2 4.01Å; W21-L53 HydrophobicContact CZ3-CD2 3.85Å; W21-V57 HydrophobicContact CE3-CG2 4.4Å; W21-V57 HydrophobicContact CZ3-CG2 4.19Å; W21-F251 AromaticContact CH2-CD2 3.88Å; W21-F251 HydrophobicContact CH2-CD2 3.88Å; W21-F251 AromaticContact CH2-CE2 3.82Å; W21-F251 HydrophobicContact CH2-CE2 3.82Å; W21-F251 AromaticContact CZ2-CD2 3.29Å; W21-F251 HydrophobicContact CZ2-CD2 3.29Å; W21-F251 AromaticContact CZ2-CE2 3.53Å; W21-F251 HydrophobicContact CZ2-CE2 3.53Å; W21-F251 AromaticContact CZ2-CG 3.95Å; W21-F251 HydrophobicContact CZ2-CG 3.95Å; W21-F251 HydrophobicContact CZ2-CZ 4.34Å
22S95.2Very high97.3Very high111 Ų11135 Ų3578%0.77620%0.196SC*.  trans-100.487170.6-64.40000109.1L20L20-S22 PolarHBondContact O-N 3.5Å
23P97.6Very high97.5Very high16 Ų1634.9 Ų34.910%0.10420%0.196CC..  trans-63.8142.3-176.826.6-35.6000111.4W21 D27 F28 L53 W269 F272W21-P23 HydrophobicContact CD2-CB 4.17Å; W21-P23 HydrophobicContact CD2-CG 4.5Å; W21-P23 HydrophobicContact CE3-CB 4.47Å; W21-P23 HydrophobicContact CH2-CB 3.96Å; W21-P23 HydrophobicContact CZ2-CB 3.6Å; W21-P23 HydrophobicContact CZ3-CB 4.38Å; W21-P23 WeakPolarHBondContact O-CD 3.28Å; P23-D27 HydrophobicContact CB-CB 4.25Å; P23-F28 HydrophobicContact CB-CB 4.15Å; P23-F28 HydrophobicContact CG-CB 4.44Å; P23-F28 HydrophobicContact CG-CD2 4.47Å; P23-L53 HydrophobicContact CG-CD2 4.07Å; P23-W269 WeakPolarHBondContact O-CH2 3.32Å; P23-F272 HydrophobicContact CG-CE1 4.29Å; P23-F272 HydrophobicContact CG-CZ 4.42Å
24T98Very high97.6Very high74 Ų7434.2 Ų34.245%0.45419%0.193SC..  trans-69.7164.8161.171.70000109.9S26 D27 F28T24-S26 PolarHBondContact O-N 2.99Å; T24-S26 PolarHBondContact OG1-N 3.19Å; T24-D27 WeakPolarHBondContact CB-OD2 3.43Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D27 PolarHBondContact N-OD2 2.63Å; T24-D27 VanDerWaalsContact N-OD2 3.1Å; T24-D27 PolarHBondContact O-N 2.84Å; T24-D27 PolarHBondContact OG1-N 3.21Å; T24-D27 PolarHBondContact OG1-OD1 2.64Å; T24-D27 PolarHBondContact OG1-OD2 3.4Å; T24-F28 WeakPolarHBondContact O-CB 3.4Å; T24-F28 PolarHBondContact O-N 3.33Å
25K98.2Very high97.6Very high86 Ų8633.2 Ų33.237%0.37419%0.188SC..Hα-helixtrans-53.2-41.4172.3179.5171.1-174171.20111.7L29 W269K25-L29 HydrophobicContact CD-CD1 4.44Å; K25-L29 HydrophobicContact CG-CD1 3.77Å; K25-L29 HydrophobicContact CG-CG 4.34Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 VanDerWaalsContact O-CG 3.22Å; K25-L29 WeakPolarHBondContact O-CG 3.27Å; K25-L29 PolarHBondContact O-N 3.34Å; K25-W269 HydrophobicContact CB-CD2 3.83Å; K25-W269 HydrophobicContact CB-CE3 4.37Å; K25-W269 HydrophobicContact CB-CG 4.11Å; K25-W269 HydrophobicContact CB-CZ2 4.11Å; K25-W269 HydrophobicContact CD-CB 4.33Å; K25-W269 HydrophobicContact CD-CD2 4.45Å; K25-W269 HydrophobicContact CD-CG 3.84Å; K25-W269 HydrophobicContact CG-CB 4.07Å; K25-W269 HydrophobicContact CG-CD2 3.83Å; K25-W269 HydrophobicContact CG-CG 3.59Å
26S98Very high97.5Very high86 Ų8635 Ų3560%0.60120%0.201SC*.Hα-helixtrans-64-48179.5-172.60000111.3T24 F28 L29 F30T24-S26 PolarHBondContact O-N 2.99Å; T24-S26 PolarHBondContact OG1-N 3.19Å; S26-F28 VanDerWaalsContact C-N 3.35Å; S26-F28 PolarHBondContact O-N 3.5Å; S26-L29 PolarHBondContact O-N 2.99Å; S26-F30 VanDerWaalsContact O-CB 3.28Å; S26-F30 WeakPolarHBondContact O-CB 3.32Å; S26-F30 PolarHBondContact O-N 3.29Å
27D98.3Very high97.5Very high39 Ų3939.6 Ų39.621%0.20923%0.225CC..Hα-helixtrans-63.6-42.3-178.3-53.5-30.8000111.8W21 P23 T24 S31 F251W21-D27 HydrophobicContact CZ2-CB 3.95Å; P23-D27 HydrophobicContact CB-CB 4.25Å; T24-D27 WeakPolarHBondContact CB-OD2 3.43Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D27 PolarHBondContact N-OD2 2.63Å; T24-D27 VanDerWaalsContact N-OD2 3.1Å; T24-D27 PolarHBondContact O-N 2.84Å; T24-D27 PolarHBondContact OG1-N 3.21Å; T24-D27 PolarHBondContact OG1-OD1 2.64Å; T24-D27 PolarHBondContact OG1-OD2 3.4Å; D27-S31 VanDerWaalsContact O-CB 3.26Å; D27-S31 WeakPolarHBondContact O-CB 3.28Å; D27-S31 PolarHBondContact O-N 3.11Å; D27-S31 PolarHBondContact O-OG 3.42Å; D27-F251 HydrophobicContact CB-CD1 4.05Å; D27-F251 HydrophobicContact CB-CE1 3.48Å; D27-F251 VanDerWaalsContact CB-CE1 3.48Å; D27-F251 HydrophobicContact CB-CE2 4.15Å; D27-F251 HydrophobicContact CB-CZ 3.53Å; D27-F251 VanDerWaalsContact CG-CE1 3.46Å; D27-F251 WeakPolarHBondContact OD1-CE1 3.39Å
28F98.7Very high97.4Very high0 Ų043.9 Ų43.90%025%0.248CC..Hα-helixtrans-63.2-49.4177.8-179.6-95.4000111.9P23 T24 S26 S31 L32 L44 V52 L53 M56 A268 W269 F272P23-F28 HydrophobicContact CB-CB 4.15Å; P23-F28 HydrophobicContact CG-CB 4.44Å; P23-F28 HydrophobicContact CG-CD2 4.47Å; T24-F28 WeakPolarHBondContact O-CB 3.4Å; T24-F28 PolarHBondContact O-N 3.33Å; S26-F28 VanDerWaalsContact C-N 3.35Å; S26-F28 PolarHBondContact O-N 3.5Å; F28-S31 WeakPolarHBondContact O-CB 3.29Å; F28-S31 PolarHBondContact O-N 2.74Å; F28-L32 HydrophobicContact CD1-CD1 3.99Å; F28-L32 HydrophobicContact CE1-CD1 3.33Å; F28-L32 HydrophobicContact CE1-CG 4.3Å; F28-L32 HydrophobicContact CZ-CD1 3.65Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 PolarHBondContact O-N 3.17Å; F28-L32 VanDerWaalsContact O-N 3.08Å; F28-L44 HydrophobicContact CZ-CD2 4.08Å; F28-V52 HydrophobicContact CE2-CG1 4.15Å; F28-V52 HydrophobicContact CZ-CG1 4.39Å; F28-L53 HydrophobicContact CD2-CD2 4.21Å; F28-L53 HydrophobicContact CE2-CD2 4.36Å; F28-M56 HydrophobicContact CD2-CE 3.98Å; F28-M56 HydrophobicContact CD2-SD 4.26Å; F28-M56 HydrophobicContact CE2-CE 3.98Å; F28-M56 HydrophobicContact CE2-SD 3.68Å; F28-M56 HydrophobicContact CZ-SD 4.23Å; F28-A268 HydrophobicContact CE1-CB 4.47Å; F28-W269 HydrophobicContact CB-CE3 3.66Å; F28-W269 HydrophobicContact CB-CZ3 3.61Å; F28-W269 AromaticContact CD1-CE3 3.64Å; F28-W269 HydrophobicContact CD1-CE3 3.64Å; F28-W269 HydrophobicContact CD1-CZ3 4.31Å; F28-W269 HydrophobicContact CD2-CE3 4.5Å; F28-W269 HydrophobicContact CD2-CZ3 4.43Å; F28-W269 HydrophobicContact CE1-CE3 4.42Å; F28-W269 AromaticContact CG-CE3 3.67Å; F28-W269 HydrophobicContact CG-CE3 3.67Å; F28-W269 AromaticContact CG-CZ3 3.88Å; F28-W269 HydrophobicContact CG-CZ3 3.88Å; F28-F272 HydrophobicContact CD2-CD1 4.08Å; F28-F272 HydrophobicContact CD2-CD2 4.32Å; F28-F272 HydrophobicContact CD2-CE1 4.23Å; F28-F272 HydrophobicContact CD2-CE2 4.44Å; F28-F272 HydrophobicContact CD2-CG 4.13Å; F28-F272 HydrophobicContact CD2-CZ 4.41Å; F28-F272 HydrophobicContact CE1-CB 3.88Å; F28-F272 HydrophobicContact CE1-CG 4.27Å; F28-F272 HydrophobicContact CE2-CB 3.94Å; F28-F272 AromaticContact CE2-CD1 3.93Å; F28-F272 HydrophobicContact CE2-CD1 3.93Å; F28-F272 AromaticContact CE2-CD2 3.47Å; F28-F272 HydrophobicContact CE2-CD2 3.47Å; F28-F272 VanDerWaalsContact CE2-CD2 3.47Å; F28-F272 HydrophobicContact CE2-CE1 4.3Å; F28-F272 AromaticContact CE2-CE2 3.88Å; F28-F272 HydrophobicContact CE2-CE2 3.88Å; F28-F272 AromaticContact CE2-CG 3.49Å; F28-F272 HydrophobicContact CE2-CG 3.49Å; F28-F272 VanDerWaalsContact CE2-CG 3.49Å; F28-F272 HydrophobicContact CE2-CZ 4.28Å; F28-F272 HydrophobicContact CZ-CB 3.45Å; F28-F272 VanDerWaalsContact CZ-CB 3.45Å; F28-F272 HydrophobicContact CZ-CD1 4.25Å; F28-F272 AromaticContact CZ-CD2 3.82Å; F28-F272 HydrophobicContact CZ-CD2 3.82Å; F28-F272 AromaticContact CZ-CG 3.58Å; F28-F272 HydrophobicContact CZ-CG 3.58Å
29L98.4Very high97.3Very high17 Ų1744.4 Ų44.49%0.08925%0.25CS..Hα-helixtrans-67.1-40.1-179.9-66.8174.7000111.3K25 S26 S31 L32 N33 V264 N266 A268 W269K25-L29 HydrophobicContact CD-CD1 4.44Å; K25-L29 HydrophobicContact CG-CD1 3.77Å; K25-L29 HydrophobicContact CG-CG 4.34Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 VanDerWaalsContact O-CG 3.22Å; K25-L29 WeakPolarHBondContact O-CG 3.27Å; K25-L29 PolarHBondContact O-N 3.34Å; S26-L29 PolarHBondContact O-N 2.99Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.93Å; L29-L32 PolarHBondContact O-N 2.99Å; L29-N33 WeakPolarHBondContact O-CB 3.19Å; L29-N33 PolarHBondContact O-N 2.93Å; L29-N33 PolarHBondContact O-ND2 2.89Å; L29-V264 HydrophobicContact CB-CG1 4.4Å; L29-V264 HydrophobicContact CD2-CG1 3.74Å; L29-N266 VanDerWaalsContact CD1-OD1 3.29Å; L29-N266 WeakPolarHBondContact CD1-OD1 3.15Å; L29-A268 HydrophobicContact CD2-CB 4.36Å; L29-W269 HydrophobicContact CD2-CB 4.27Å
30F98.5Very high97.5Very high64 Ų6444.6 Ų44.628%0.28125%0.249SC..Hα-helixtrans-62.5-42.4175-174.5-114.7000111.8S26 L32 N33 C34 F251 V255 V260S26-F30 VanDerWaalsContact O-CB 3.28Å; S26-F30 WeakPolarHBondContact O-CB 3.32Å; S26-F30 PolarHBondContact O-N 3.29Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 2.82Å; F30-N33 WeakPolarHBondContact O-CB 3.46Å; F30-N33 PolarHBondContact O-N 3.23Å; F30-N33 VanDerWaalsContact O-N 3.15Å; F30-C34 PolarHBondContact O-N 3Å; F30-C34 VanDerWaalsContact O-N 3.09Å; F30-C34 PolarHBondContact O-SG 2.76Å; F30-C34 VanDerWaalsContact O-SG 3.33Å; F30-F251 HydrophobicContact CD1-CZ 4.33Å; F30-V255 HydrophobicContact CD1-CB 4.16Å; F30-V255 HydrophobicContact CD1-CG1 4.32Å; F30-V255 HydrophobicContact CD1-CG2 4.06Å; F30-V255 HydrophobicContact CE1-CB 3.69Å; F30-V255 HydrophobicContact CE1-CG1 4.32Å; F30-V255 HydrophobicContact CE1-CG2 3.65Å; F30-V260 HydrophobicContact CE2-CG2 4.25Å
31S98.6Very high97.7Very high0 Ų045.5 Ų45.50%025%0.25CS..Hα-helixtrans-57.8-44.4175.1-65.40000112.4D27 F28 L29 C34 L35 F251D27-S31 VanDerWaalsContact O-CB 3.26Å; D27-S31 WeakPolarHBondContact O-CB 3.28Å; D27-S31 PolarHBondContact O-N 3.11Å; D27-S31 PolarHBondContact O-OG 3.42Å; F28-S31 WeakPolarHBondContact O-CB 3.29Å; F28-S31 PolarHBondContact O-N 2.74Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.93Å; S31-C34 PolarHBondContact O-N 2.82Å; S31-L35 WeakPolarHBondContact O-CG 3.36Å; S31-F251 WeakPolarHBondContact OG-CE2 3.48Å
32L98.5Very high97.7Very high0 Ų045.8 Ų45.80%026%0.256CS..Hα-helixtrans-66.6-41.3174.8-76174.8000111.9F28 L29 F30 C34 L35 Q40 L44 M56 V264 A268F28-L32 HydrophobicContact CD1-CD1 3.99Å; F28-L32 HydrophobicContact CE1-CD1 3.33Å; F28-L32 HydrophobicContact CE1-CG 4.3Å; F28-L32 HydrophobicContact CZ-CD1 3.65Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 PolarHBondContact O-N 3.17Å; F28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 2.99Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 2.82Å; L32-C34 PolarHBondContact O-N 3.49Å; L32-L35 HydrophobicContact CD2-CD1 4.41Å; L32-L35 WeakPolarHBondContact O-CB 3.28Å; L32-L35 PolarHBondContact O-N 3.01Å; L32-Q40 HydrophobicContact CB-CG 4.42Å; L32-Q40 HydrophobicContact CD2-CB 4.38Å; L32-Q40 HydrophobicContact CD2-CG 4.24Å; L32-Q40 WeakPolarHBondContact O-CG 3.4Å; L32-Q40 PolarHBondContact O-NE2 2.74Å; L32-L44 HydrophobicContact CD1-CD1 4.38Å; L32-L44 HydrophobicContact CD1-CD2 4.16Å; L32-L44 HydrophobicContact CD2-CG 4.44Å; L32-M56 HydrophobicContact CD2-CE 3.99Å; L32-M56 HydrophobicContact CD2-CG 4.01Å; L32-M56 HydrophobicContact CD2-SD 3.67Å; L32-M56 HydrophobicContact CG-CE 3.76Å; L32-M56 HydrophobicContact CG-SD 4Å; L32-V264 HydrophobicContact CB-CB 4.22Å; L32-V264 HydrophobicContact CB-CG1 3.86Å; L32-V264 HydrophobicContact CB-CG2 4.45Å; L32-V264 HydrophobicContact CD1-CG1 4.28Å; L32-V264 HydrophobicContact CD1-CG2 4.18Å; L32-A268 HydrophobicContact CD1-CB 4.01Å
33N98.4Very high97.8Very high29 Ų2940.5 Ų40.516%0.15522%0.219CC..Hα-helixtrans-57.6-32.2178.4-76.3-26000112.6L29 F30 L35 V260 L261 S262 P263 V264L29-N33 WeakPolarHBondContact O-CB 3.19Å; L29-N33 PolarHBondContact O-N 2.93Å; L29-N33 PolarHBondContact O-ND2 2.89Å; F30-N33 WeakPolarHBondContact O-CB 3.46Å; F30-N33 PolarHBondContact O-N 3.23Å; F30-N33 VanDerWaalsContact O-N 3.15Å; N33-L35 PolarHBondContact O-N 3.02Å; N33-V260 HydrophobicContact CB-CB 4.34Å; N33-V260 HydrophobicContact CB-CG1 3.99Å; N33-V260 HydrophobicContact CB-CG2 3.99Å; N33-V260 CarbonylContact O-C 3.6Å; N33-L261 PolarHBondContact O-N 2.95Å; N33-S262 WeakPolarHBondContact CA-O 3.46Å; N33-S262 PolarHBondContact O-N 3.37Å; N33-S262 VanDerWaalsContact O-N 3.13Å; N33-S262 PolarHBondContact OD1-O 3.04Å; N33-P263 WeakPolarHBondContact OD1-CA 3.23Å; N33-V264 WeakPolarHBondContact OD1-CG1 3.34Å; N33-V264 PolarHBondContact OD1-N 3.33Å
34C98.4Very high97.8Very high1 Ų141.1 Ų41.11%0.00722%0.221CC..THydrogen-bonded Turntrans-73.2-2.4175.6-67.30000114.2F30 S31 L32 L60 R63 L258 A259 L261F30-C34 PolarHBondContact O-N 3Å; F30-C34 VanDerWaalsContact O-N 3.09Å; F30-C34 PolarHBondContact O-SG 2.76Å; F30-C34 VanDerWaalsContact O-SG 3.33Å; S31-C34 PolarHBondContact O-N 2.82Å; L32-C34 PolarHBondContact O-N 3.49Å; C34-L60 HydrophobicContact CB-CD2 3.62Å; C34-R63 WeakPolarHBondContact O-CD 3.42Å; C34-R63 PolarHBondContact O-NE 2.86Å; C34-R63 VanDerWaalsContact O-NE 3.09Å; C34-L258 HydrophobicContact CB-CB 4.45Å; C34-L258 HydrophobicContact CB-CD1 4.38Å; C34-A259 WeakPolarHBondContact CA-O 3.5Å; C34-L261 VanDerWaalsContact O-CD1 3.28Å; C34-L261 WeakPolarHBondContact O-CD1 3.28Å
35L98Very high97.7Very high0 Ų046.6 Ų46.60%023%0.234CC..SBendtrans-106.8157.6179.4-51.3-173.6000111.2S31 L32 N33 E39 Q40 M56 K59 L60 S262S31-L35 WeakPolarHBondContact O-CG 3.36Å; L32-L35 HydrophobicContact CD2-CD1 4.41Å; L32-L35 WeakPolarHBondContact O-CB 3.28Å; L32-L35 PolarHBondContact O-N 3.01Å; N33-L35 PolarHBondContact O-N 3.02Å; L35-E39 HydrophobicContact CB-CB 3.93Å; L35-E39 HydrophobicContact CD1-CB 4.37Å; L35-Q40 HydrophobicContact CB-CG 3.94Å; L35-Q40 PolarHBondContact O-NE2 3.49Å; L35-M56 HydrophobicContact CD1-CG 4.15Å; L35-K59 HydrophobicContact CD1-CB 4.43Å; L35-K59 HydrophobicContact CD2-CB 3.4Å; L35-K59 HydrophobicContact CD2-CG 4.29Å; L35-L60 HydrophobicContact CD2-CD2 4.17Å; L35-S262 WeakPolarHBondContact O-CB 3.38Å
36S96.4Very high97.7Very high38 Ų3846.4 Ų46.427%0.26623%0.233SC..  trans-69.4158167.767.50000111.5N38 E39 Q40S36-N38 VanDerWaalsContact C-N 3.25Å; S36-N38 PolarHBondContact O-N 3.31Å; S36-E39 VanDerWaalsContact CB-OE2 3.27Å; S36-E39 WeakPolarHBondContact CB-OE2 3.49Å; S36-E39 PolarHBondContact N-OE2 3.25Å; S36-E39 PolarHBondContact O-N 3.16Å; S36-E39 VanDerWaalsContact OG-CD 3.27Å; S36-E39 WeakPolarHBondContact OG-CG 3.3Å; S36-E39 PolarHBondContact OG-N 2.95Å; S36-E39 PolarHBondContact OG-OE2 3.24Å; S36-Q40 WeakPolarHBondContact O-CG 3.33Å; S36-Q40 PolarHBondContact O-N 3.49Å
37L96.7Very high97.6Very high104 Ų10445.2 Ų45.255%0.54523%0.228SC..Hα-helixtrans-50.2-43.2176-66.7175.7000113.2E39 Q40 Q41L37-E39 PolarHBondContact O-N 3.27Å; L37-Q40 PolarHBondContact O-N 2.87Å; L37-Q41 VanDerWaalsContact O-CG 3.28Å; L37-Q41 WeakPolarHBondContact O-CG 3.48Å; L37-Q41 PolarHBondContact O-N 3.46Å
38N96.3Very high97.5Very high106 Ų10646.5 Ų46.557%0.56723%0.231SC*.Hα-helixtrans-64.9-40.8178.7178.754.7000111.8S36 Q41 V42S36-N38 VanDerWaalsContact C-N 3.25Å; S36-N38 PolarHBondContact O-N 3.31Å; N38-Q41 PolarHBondContact O-N 2.93Å; N38-V42 WeakPolarHBondContact O-CG2 3.37Å; N38-V42 PolarHBondContact O-N 3.4Å
39E97Very high97.4Very high16 Ų1648.1 Ų48.18%0.07524%0.238CC..Hα-helixtrans-69.7-37.6178.1-70.4164.5127.400112.4L35 S36 L37 V42 A43 K59 R63 L79L35-E39 HydrophobicContact CB-CB 3.93Å; L35-E39 HydrophobicContact CD1-CB 4.37Å; S36-E39 VanDerWaalsContact CB-OE2 3.27Å; S36-E39 WeakPolarHBondContact CB-OE2 3.49Å; S36-E39 PolarHBondContact N-OE2 3.25Å; S36-E39 PolarHBondContact O-N 3.16Å; S36-E39 VanDerWaalsContact OG-CD 3.27Å; S36-E39 WeakPolarHBondContact OG-CG 3.3Å; S36-E39 PolarHBondContact OG-N 2.95Å; S36-E39 PolarHBondContact OG-OE2 3.24Å; L37-E39 PolarHBondContact O-N 3.27Å; E39-V42 PolarHBondContact O-N 3.48Å; E39-A43 WeakPolarHBondContact O-CB 3.29Å; E39-A43 PolarHBondContact O-N 3.33Å; E39-K59 WeakPolarHBondContact OE1-CD 3.32Å; E39-R63 VanDerWaalsContact CD-NH1 3.3Å; E39-R63 IonicContact OE1-CZ 2.91Å; E39-R63 IonicContact OE1-NH1 3.16Å; E39-R63 PolarHBondContact OE1-NH1 3.31Å; E39-R63 IonicContact OE1-NH2 2.97Å; E39-R63 PolarHBondContact OE1-NH2 3.12Å; E39-R63 IonicContact OE2-CZ 2.67Å; E39-R63 VanDerWaalsContact OE2-CZ 3.26Å; E39-R63 IonicContact OE2-NH1 3.07Å; E39-R63 PolarHBondContact OE2-NH1 3.03Å; E39-R63 IonicContact OE2-NH2 2.64Å; E39-R63 PolarHBondContact OE2-NH2 3.31Å; E39-L79 WeakPolarHBondContact OE1-CD2 3.42Å
40Q98.1Very high97.3Very high11 Ų1150.4 Ų50.45%0.05125%0.245CC..Hα-helixtrans-58.7-49.4171.9-66.4174.34.300110.6L32 L35 S36 L37 V42 A43 L44 S262L32-Q40 HydrophobicContact CB-CG 4.42Å; L32-Q40 HydrophobicContact CD2-CB 4.38Å; L32-Q40 HydrophobicContact CD2-CG 4.24Å; L32-Q40 WeakPolarHBondContact O-CG 3.4Å; L32-Q40 PolarHBondContact O-NE2 2.74Å; L35-Q40 HydrophobicContact CB-CG 3.94Å; L35-Q40 PolarHBondContact O-NE2 3.49Å; S36-Q40 WeakPolarHBondContact O-CG 3.33Å; S36-Q40 PolarHBondContact O-N 3.49Å; L37-Q40 PolarHBondContact O-N 2.87Å; Q40-V42 PolarHBondContact O-N 3.21Å; Q40-A43 PolarHBondContact O-N 3.45Å; Q40-L44 WeakPolarHBondContact O-CB 3.45Å; Q40-L44 WeakPolarHBondContact O-CG 3.45Å; Q40-L44 PolarHBondContact O-N 2.84Å; Q40-S262 PolarHBondContact NE2-O 3.3Å
41Q97.2Very high97.3Very high122 Ų12249.4 Ų49.457%0.5724%0.243SC*.Hα-helixtrans-59.7-45.6177.5-72.9173.2-2.900111.6L37 N38 A43 L44 R45L37-Q41 VanDerWaalsContact O-CG 3.28Å; L37-Q41 WeakPolarHBondContact O-CG 3.48Å; L37-Q41 PolarHBondContact O-N 3.46Å; N38-Q41 PolarHBondContact O-N 2.93Å; Q41-A43 PolarHBondContact O-N 2.92Å; Q41-L44 PolarHBondContact O-N 3.21Å; Q41-R45 VanDerWaalsContact O-CG 3.29Å; Q41-R45 WeakPolarHBondContact O-CG 3.42Å; Q41-R45 PolarHBondContact O-N 3.08Å
42V96.5Very high97.2Very high41 Ų4149.4 Ų49.425%0.24824%0.243CC..Hα-helixtrans-58.7-48.8177170.70000111.1N38 E39 Q40 R45N38-V42 WeakPolarHBondContact O-CG2 3.37Å; N38-V42 PolarHBondContact O-N 3.4Å; E39-V42 PolarHBondContact O-N 3.48Å; Q40-V42 PolarHBondContact O-N 3.21Å; V42-R45 PolarHBondContact O-N 3.29Å
43A97.7Very high97.2Very high0 Ų049.7 Ų49.70%025%0.245CC..Hα-helixtrans-63.1-45.1-179.300000112E39 Q40 Q41 R45 F46 V52 M56E39-A43 WeakPolarHBondContact O-CB 3.29Å; E39-A43 PolarHBondContact O-N 3.33Å; Q40-A43 PolarHBondContact O-N 3.45Å; Q41-A43 PolarHBondContact O-N 2.92Å; A43-R45 VanDerWaalsContact C-N 3.25Å; A43-R45 PolarHBondContact O-N 3.15Å; A43-F46 WeakPolarHBondContact O-CD2 3.28Å; A43-F46 PolarHBondContact O-N 3.31Å; A43-V52 WeakPolarHBondContact O-CG2 3.19Å; A43-M56 HydrophobicContact CB-CG 3.78Å
44L97.5Very high97.2Very high29 Ų2948.5 Ų48.515%0.15224%0.239CC..Hα-helixtrans-70.9-17.7-177.1-69.8171.5000114F28 L32 Q40 Q41 F46 V52 A268 K275F28-L44 HydrophobicContact CZ-CD2 4.08Å; L32-L44 HydrophobicContact CD1-CD1 4.38Å; L32-L44 HydrophobicContact CD1-CD2 4.16Å; L32-L44 HydrophobicContact CD2-CG 4.44Å; Q40-L44 WeakPolarHBondContact O-CB 3.45Å; Q40-L44 WeakPolarHBondContact O-CG 3.45Å; Q40-L44 PolarHBondContact O-N 2.84Å; Q41-L44 PolarHBondContact O-N 3.21Å; L44-F46 VanDerWaalsContact C-N 3.31Å; L44-F46 PolarHBondContact O-N 3.09Å; L44-V52 HydrophobicContact CD2-CG1 4.47Å; L44-A268 HydrophobicContact CD1-CB 4.21Å; L44-K275 WeakPolarHBondContact O-CE 3.39Å; L44-K275 PolarHBondContact O-NZ 3.31Å
45R97.3Very high97.2Very high190 Ų19049.5 Ų49.572%0.71725%0.246SC*.THydrogen-bonded Turntrans-70.9-21.3175-79.4-174.8-50.1-166.86.6113.9Q41 V42 A43Q41-R45 VanDerWaalsContact O-CG 3.29Å; Q41-R45 WeakPolarHBondContact O-CG 3.42Å; Q41-R45 PolarHBondContact O-N 3.08Å; V42-R45 PolarHBondContact O-N 3.29Å; A43-R45 VanDerWaalsContact C-N 3.25Å; A43-R45 PolarHBondContact O-N 3.15Å
46F97.2Very high97.2Very high82 Ų8249.5 Ų49.536%0.3625%0.246SC..  trans-60.9141.4177.9-76.8-75.4000111.5A43 L44 D51 V52 K275A43-F46 WeakPolarHBondContact O-CD2 3.28Å; A43-F46 PolarHBondContact O-N 3.31Å; L44-F46 VanDerWaalsContact C-N 3.31Å; L44-F46 PolarHBondContact O-N 3.09Å; F46-D51 HydrophobicContact CB-CB 3.74Å; F46-D51 HydrophobicContact CD1-CB 3.64Å; F46-D51 HydrophobicContact CE1-CB 4.4Å; F46-D51 HydrophobicContact CG-CB 3.75Å; F46-V52 HydrophobicContact CB-CG2 3.9Å; F46-K275 WeakPolarHBondContact O-CE 3.43Å; F46-K275 PolarHBondContact O-NZ 3.45Å
47A96.6Very high97.3Very high61 Ų6147.7 Ų47.750%0.50423%0.233SC..SBendtrans-74.6-26.8-174.100000113.2
48Y96Very high97.4Very high66 Ų6643 Ų4326%0.25921%0.21SC..SBendtrans-116.1146-173.4-58.3-79.8000111.6R50 D51 V52 P276 S278 P279Y48-R50 VanDerWaalsContact C-N 3.3Å; Y48-R50 PolarHBondContact O-N 3.28Å; Y48-D51 WeakPolarHBondContact CD2-OD2 3.34Å; Y48-D51 PolarHBondContact O-N 3.42Å; Y48-V52 WeakPolarHBondContact O-CG2 3.49Å; Y48-V52 PolarHBondContact O-N 3.23Å; Y48-V52 VanDerWaalsContact O-N 3.12Å; Y48-P276 WeakPolarHBondContact CA-O 3.24Å; Y48-P276 HydrophobicContact CD1-CB 4.11Å; Y48-P276 HydrophobicContact CD1-CG 3.59Å; Y48-P276 HydrophobicContact CE1-CB 4.32Å; Y48-P276 HydrophobicContact CE1-CG 3.69Å; Y48-S278 WeakPolarHBondContact CD1-O 3.34Å; Y48-P279 HydrophobicContact CD1-CG 4.31Å; Y48-P279 VanDerWaalsContact CD1-N 3.31Å; Y48-P279 HydrophobicContact CD2-CG 3.72Å; Y48-P279 VanDerWaalsContact CE1-CA 3.43Å; Y48-P279 HydrophobicContact CE1-CB 4.19Å; Y48-P279 HydrophobicContact CE1-CG 4.2Å; Y48-P279 HydrophobicContact CE2-CB 4.12Å; Y48-P279 HydrophobicContact CE2-CG 3.59Å; Y48-P279 HydrophobicContact CG-CG 4.09Å
49Q97.1Very high97.5Very high33 Ų3339.2 Ų39.215%0.15419%0.189CC..Hα-helixtrans-56.2-45.4178.8-66.5-179.5-9.500111.6D51 V52 L53 F272 K275 P276 H277Q49-D51 VanDerWaalsContact C-N 3.27Å; Q49-D51 PolarHBondContact O-N 3.26Å; Q49-V52 WeakPolarHBondContact O-CB 3.37Å; Q49-V52 PolarHBondContact O-N 3.25Å; Q49-V52 VanDerWaalsContact O-N 3.13Å; Q49-L53 WeakPolarHBondContact O-CG 3.31Å; Q49-L53 PolarHBondContact O-N 2.86Å; Q49-F272 HydrophobicContact CB-CD2 4.31Å; Q49-F272 HydrophobicContact CB-CE2 3.48Å; Q49-F272 VanDerWaalsContact CB-CE2 3.48Å; Q49-F272 HydrophobicContact CB-CZ 3.75Å; Q49-F272 HydrophobicContact CG-CD2 4.07Å; Q49-F272 HydrophobicContact CG-CE1 4.44Å; Q49-F272 HydrophobicContact CG-CE2 3.63Å; Q49-F272 HydrophobicContact CG-CZ 3.83Å; Q49-F272 PolarHBondContact NE2-O 2.98Å; Q49-K275 HydrophobicContact CG-CB 3.88Å; Q49-K275 WeakPolarHBondContact CG-O 3.32Å; Q49-K275 PolarHBondContact NE2-O 3.09Å; Q49-P276 PolarHBondContact N-O 2.81Å; Q49-H277 PolarHBondContact N-O 2.92Å
50R96.3Very high97.6Very high65 Ų6538.5 Ų38.525%0.24519%0.185CC..Hα-helixtrans-57-39.6-179.6-170.4176.466.8175.81.1112.8Y48 L53 S54 H277Y48-R50 VanDerWaalsContact C-N 3.3Å; Y48-R50 PolarHBondContact O-N 3.28Å; R50-L53 PolarHBondContact O-N 2.92Å; R50-S54 WeakPolarHBondContact O-CB 3.47Å; R50-S54 PolarHBondContact O-N 3.07Å; R50-S54 PolarHBondContact O-OG 3.42Å; R50-H277 WeakPolarHBondContact CB-O 3.31Å; R50-H277 PolarHBondContact N-O 3.2Å
51D97Very high97.6Very high43 Ų4338 Ų3823%0.2318%0.183CC..Hα-helixtrans-75.7-33.4-179.6-60-29.3000112F46 Y48 Q49 S54 S55F46-D51 HydrophobicContact CB-CB 3.74Å; F46-D51 HydrophobicContact CD1-CB 3.64Å; F46-D51 HydrophobicContact CE1-CB 4.4Å; F46-D51 HydrophobicContact CG-CB 3.75Å; Y48-D51 WeakPolarHBondContact CD2-OD2 3.34Å; Y48-D51 PolarHBondContact O-N 3.42Å; Q49-D51 VanDerWaalsContact C-N 3.27Å; Q49-D51 PolarHBondContact O-N 3.26Å; D51-S54 WeakPolarHBondContact CA-OG 3.5Å; D51-S54 PolarHBondContact O-OG 3.27Å; D51-S54 VanDerWaalsContact O-OG 3.13Å; D51-S55 VanDerWaalsContact O-CB 3.28Å; D51-S55 WeakPolarHBondContact O-CB 3.39Å; D51-S55 PolarHBondContact O-N 2.86Å; D51-S55 VanDerWaalsContact O-N 3.08Å
52V98Very high97.7Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-59.7-50.2169.4177.70000109.5F28 A43 L44 F46 Y48 Q49 S55 M56 F272 K275F28-V52 HydrophobicContact CE2-CG1 4.15Å; F28-V52 HydrophobicContact CZ-CG1 4.39Å; A43-V52 WeakPolarHBondContact O-CG2 3.19Å; L44-V52 HydrophobicContact CD2-CG1 4.47Å; F46-V52 HydrophobicContact CB-CG2 3.9Å; Y48-V52 WeakPolarHBondContact O-CG2 3.49Å; Y48-V52 PolarHBondContact O-N 3.23Å; Y48-V52 VanDerWaalsContact O-N 3.12Å; Q49-V52 WeakPolarHBondContact O-CB 3.37Å; Q49-V52 PolarHBondContact O-N 3.25Å; Q49-V52 VanDerWaalsContact O-N 3.13Å; V52-S55 PolarHBondContact O-N 3.43Å; V52-M56 HydrophobicContact CG1-SD 3.71Å; V52-M56 WeakPolarHBondContact O-CB 3.41Å; V52-M56 VanDerWaalsContact O-CG 3.28Å; V52-M56 WeakPolarHBondContact O-CG 3.27Å; V52-M56 PolarHBondContact O-N 3.4Å; V52-F272 HydrophobicContact CB-CD2 4.23Å; V52-F272 HydrophobicContact CB-CE2 4.28Å; V52-F272 HydrophobicContact CG1-CD2 4.03Å; V52-F272 HydrophobicContact CG1-CE2 4.34Å; V52-K275 HydrophobicContact CG2-CD 3.78Å
53L98.4Very high97.8Very high6 Ų631 Ų313%0.03115%0.147CC..Hα-helixtrans-64.7-45.3-178.7-63.1-179.6000112H18 W21 P23 F28 Q49 R50 S55 M56 V57 F272H18-L53 HydrophobicContact CB-CB 4.23Å; W21-L53 HydrophobicContact CE3-CD1 4.33Å; W21-L53 HydrophobicContact CE3-CD2 4.01Å; W21-L53 HydrophobicContact CZ3-CD2 3.85Å; P23-L53 HydrophobicContact CG-CD2 4.07Å; F28-L53 HydrophobicContact CD2-CD2 4.21Å; F28-L53 HydrophobicContact CE2-CD2 4.36Å; Q49-L53 WeakPolarHBondContact O-CG 3.31Å; Q49-L53 PolarHBondContact O-N 2.86Å; R50-L53 PolarHBondContact O-N 2.92Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.87Å; L53-M56 PolarHBondContact O-N 2.76Å; L53-V57 WeakPolarHBondContact O-CB 3.41Å; L53-V57 VanDerWaalsContact O-CG2 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.34Å; L53-V57 PolarHBondContact O-N 3.38Å; L53-F272 HydrophobicContact CD1-CZ 4.23Å; L53-F272 HydrophobicContact CD2-CE2 3.96Å; L53-F272 HydrophobicContact CD2-CZ 3.91Å; L53-F272 HydrophobicContact CG-CE2 4.04Å; L53-F272 HydrophobicContact CG-CZ 4.1Å
54S98.1Very high97.8Very high4 Ų431.9 Ų31.93%0.02815%0.15CC..Hα-helixtrans-62.1-40.6179.473.90000111.9H18 R50 D51 G58H18-S54 WeakPolarHBondContact NE2-CB 3.4Å; R50-S54 WeakPolarHBondContact O-CB 3.47Å; R50-S54 PolarHBondContact O-N 3.07Å; R50-S54 PolarHBondContact O-OG 3.42Å; D51-S54 WeakPolarHBondContact CA-OG 3.5Å; D51-S54 PolarHBondContact O-OG 3.27Å; D51-S54 VanDerWaalsContact O-OG 3.13Å; S54-G58 PolarHBondContact O-N 2.67Å
55S98.1Very high97.8Very high23 Ų2330.6 Ų30.616%0.16114%0.144CC..Hα-helixtrans-63.8-46.4174.5179.10000111.6D51 V52 L53 K59D51-S55 VanDerWaalsContact O-CB 3.28Å; D51-S55 WeakPolarHBondContact O-CB 3.39Å; D51-S55 PolarHBondContact O-N 2.86Å; D51-S55 VanDerWaalsContact O-N 3.08Å; V52-S55 PolarHBondContact O-N 3.43Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.87Å; S55-K59 WeakPolarHBondContact O-CG 3.4Å; S55-K59 PolarHBondContact O-N 3.37Å
56M98.4Very high97.8Very high0 Ų021.6 Ų21.60%011%0.11CC..Hα-helixtrans-61.7-52.9177.8-74.3169.454.700111.5F28 L32 L35 A43 V52 L53 G58 K59 L60F28-M56 HydrophobicContact CD2-CE 3.98Å; F28-M56 HydrophobicContact CD2-SD 4.26Å; F28-M56 HydrophobicContact CE2-CE 3.98Å; F28-M56 HydrophobicContact CE2-SD 3.68Å; F28-M56 HydrophobicContact CZ-SD 4.23Å; L32-M56 HydrophobicContact CD2-CE 3.99Å; L32-M56 HydrophobicContact CD2-CG 4.01Å; L32-M56 HydrophobicContact CD2-SD 3.67Å; L32-M56 HydrophobicContact CG-CE 3.76Å; L32-M56 HydrophobicContact CG-SD 4Å; L35-M56 HydrophobicContact CD1-CG 4.15Å; A43-M56 HydrophobicContact CB-CG 3.78Å; V52-M56 HydrophobicContact CG1-SD 3.71Å; V52-M56 WeakPolarHBondContact O-CB 3.41Å; V52-M56 VanDerWaalsContact O-CG 3.28Å; V52-M56 WeakPolarHBondContact O-CG 3.27Å; V52-M56 PolarHBondContact O-N 3.4Å; L53-M56 PolarHBondContact O-N 2.76Å; M56-G58 VanDerWaalsContact C-N 3.26Å; M56-G58 PolarHBondContact O-N 2.87Å; M56-K59 WeakPolarHBondContact O-CB 3.18Å; M56-K59 PolarHBondContact O-N 2.89Å; M56-L60 WeakPolarHBondContact O-CG 3.45Å; M56-L60 PolarHBondContact O-N 3.46Å
57V98.7Very high97.8Very high0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-58.3-39.8-179.61690000111.1F16 H18 W21 L53 K59 L60 L61 T107 L254F16-V57 HydrophobicContact CB-CG1 3.61Å; F16-V57 HydrophobicContact CD1-CB 4.28Å; F16-V57 HydrophobicContact CD1-CG1 3.62Å; F16-V57 HydrophobicContact CD1-CG2 3.61Å; F16-V57 HydrophobicContact CE1-CG2 3.8Å; F16-V57 HydrophobicContact CG-CG1 3.83Å; F16-V57 HydrophobicContact CG-CG2 4.48Å; H18-V57 HydrophobicContact CB-CB 4.47Å; H18-V57 HydrophobicContact CB-CG2 4.02Å; W21-V57 HydrophobicContact CE3-CG2 4.4Å; W21-V57 HydrophobicContact CZ3-CG2 4.19Å; L53-V57 WeakPolarHBondContact O-CB 3.41Å; L53-V57 VanDerWaalsContact O-CG2 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.34Å; L53-V57 PolarHBondContact O-N 3.38Å; V57-K59 VanDerWaalsContact C-N 3.25Å; V57-K59 PolarHBondContact O-N 3.02Å; V57-L60 PolarHBondContact O-N 3.03Å; V57-L60 VanDerWaalsContact O-N 3.16Å; V57-L61 HydrophobicContact CG1-CD1 4.01Å; V57-L61 HydrophobicContact CG1-CG 4.26Å; V57-L61 WeakPolarHBondContact O-CB 3.44Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.39Å; V57-T107 HydrophobicContact CG1-CG2 4.09Å; V57-L254 HydrophobicContact CG1-CD2 4.32Å; V57-L254 HydrophobicContact CG2-CD2 4.13Å
58G98.5Very high97.7Very high6 Ų620.3 Ų20.36%0.0629%0.091CC..Hα-helixtrans-58.5-37.7176.100000112.7S54 M56 I62S54-G58 PolarHBondContact O-N 2.67Å; M56-G58 VanDerWaalsContact C-N 3.26Å; M56-G58 PolarHBondContact O-N 2.87Å; G58-I62 WeakPolarHBondContact O-CD1 3.29Å; G58-I62 VanDerWaalsContact O-CG1 3.26Å; G58-I62 WeakPolarHBondContact O-CG1 3.12Å; G58-I62 PolarHBondContact O-N 3.24Å
59K98.4Very high97.7Very high26 Ų2618.7 Ų18.711%0.1139%0.085CC..Hα-helixtrans-75.1-35.7175.9-60.8-52.2-173.4179.60113.1L35 E39 S55 M56 V57 I62 R63 L79L35-K59 HydrophobicContact CD1-CB 4.43Å; L35-K59 HydrophobicContact CD2-CB 3.4Å; L35-K59 HydrophobicContact CD2-CG 4.29Å; E39-K59 WeakPolarHBondContact OE1-CD 3.32Å; S55-K59 WeakPolarHBondContact O-CG 3.4Å; S55-K59 PolarHBondContact O-N 3.37Å; M56-K59 WeakPolarHBondContact O-CB 3.18Å; M56-K59 PolarHBondContact O-N 2.89Å; V57-K59 VanDerWaalsContact C-N 3.25Å; V57-K59 PolarHBondContact O-N 3.02Å; K59-I62 HydrophobicContact CD-CD1 4.46Å; K59-R63 WeakPolarHBondContact O-CG 3.22Å; K59-R63 PolarHBondContact O-N 3.48Å; K59-R63 VanDerWaalsContact O-N 3.07Å; K59-L79 HydrophobicContact CD-CD2 3.61Å
60L98.8Very high97.6Very high0 Ų017.3 Ų17.30%08%0.078CC..Hα-helixtrans-66.2-44.8175.9-65.4174.9000111.4C34 L35 M56 V57 I62 R63 R64 L254 V255 L258C34-L60 HydrophobicContact CB-CD2 3.62Å; L35-L60 HydrophobicContact CD2-CD2 4.17Å; M56-L60 WeakPolarHBondContact O-CG 3.45Å; M56-L60 PolarHBondContact O-N 3.46Å; V57-L60 PolarHBondContact O-N 3.03Å; V57-L60 VanDerWaalsContact O-N 3.16Å; L60-I62 PolarHBondContact O-N 2.98Å; L60-R63 PolarHBondContact O-N 3.05Å; L60-R64 VanDerWaalsContact O-CB 3.26Å; L60-R64 WeakPolarHBondContact O-CB 3.35Å; L60-R64 PolarHBondContact O-N 3.25Å; L60-L254 HydrophobicContact CB-CD1 3.84Å; L60-L254 HydrophobicContact CB-CD2 4.22Å; L60-L254 HydrophobicContact CB-CG 3.97Å; L60-L254 HydrophobicContact CD1-CD2 3.81Å; L60-L254 HydrophobicContact CD1-CG 4.21Å; L60-V255 HydrophobicContact CD1-CG1 4.34Å; L60-L258 HydrophobicContact CB-CD1 4.4Å; L60-L258 HydrophobicContact CD2-CD1 3.69Å
61L98.7Very high97.5Very high0 Ų022.2 Ų22.20%010%0.104CC..Hα-helixtrans-56.3-49.4174.7-76.2171.1000111.1E14 V57 R63 R64 T65 I100 T107 I109 L249 L254E14-L61 HydrophobicContact CB-CD2 4.26Å; V57-L61 HydrophobicContact CG1-CD1 4.01Å; V57-L61 HydrophobicContact CG1-CG 4.26Å; V57-L61 WeakPolarHBondContact O-CB 3.44Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.39Å; L61-R63 PolarHBondContact O-N 3.4Å; L61-R64 PolarHBondContact O-N 2.95Å; L61-T65 WeakPolarHBondContact O-CB 3.44Å; L61-T65 PolarHBondContact O-N 3.29Å; L61-T65 PolarHBondContact O-OG1 3.16Å; L61-I100 HydrophobicContact CB-CD1 4.12Å; L61-T107 HydrophobicContact CD1-CG2 3.89Å; L61-I109 HydrophobicContact CB-CB 4.23Å; L61-I109 HydrophobicContact CB-CD1 4.49Å; L61-I109 HydrophobicContact CB-CG2 4.12Å; L61-I109 HydrophobicContact CD1-CB 4.45Å; L61-I109 HydrophobicContact CD1-CG2 4.43Å; L61-I109 HydrophobicContact CD2-CG2 4.13Å; L61-I109 HydrophobicContact CG-CG2 4.46Å; L61-L249 HydrophobicContact CD2-CD1 3.78Å; L61-L254 HydrophobicContact CD2-CD1 3.7Å; L61-L254 HydrophobicContact CG-CD1 3.84Å
62I98.3Very high97.4Very high5 Ų521 Ų213%0.02610%0.097CC..Hα-helixtrans-56-51.7176.9-67.6167.1000111.1G58 K59 L60 R64 T65 A66 L79 P87 I89 F98 I100 I109G58-I62 WeakPolarHBondContact O-CD1 3.29Å; G58-I62 VanDerWaalsContact O-CG1 3.26Å; G58-I62 WeakPolarHBondContact O-CG1 3.12Å; G58-I62 PolarHBondContact O-N 3.24Å; K59-I62 HydrophobicContact CD-CD1 4.46Å; L60-I62 PolarHBondContact O-N 2.98Å; I62-R64 PolarHBondContact O-N 2.71Å; I62-T65 PolarHBondContact O-N 3.08Å; I62-A66 WeakPolarHBondContact O-CB 3.39Å; I62-A66 PolarHBondContact O-N 3.41Å; I62-L79 HydrophobicContact CD1-CD1 4.31Å; I62-L79 HydrophobicContact CD1-CD2 3.93Å; I62-L79 HydrophobicContact CG2-CD1 3.86Å; I62-L79 HydrophobicContact CG2-CD2 4.24Å; I62-P87 HydrophobicContact CD1-CB 4.23Å; I62-P87 HydrophobicContact CD1-CG 4.35Å; I62-I89 HydrophobicContact CG2-CD1 3.76Å; I62-F98 HydrophobicContact CB-CE2 4.21Å; I62-F98 HydrophobicContact CD1-CD2 4.47Å; I62-F98 HydrophobicContact CD1-CE2 3.79Å; I62-F98 HydrophobicContact CG1-CD2 3.94Å; I62-F98 HydrophobicContact CG1-CE2 3.6Å; I62-F98 HydrophobicContact CG1-CZ 4.5Å; I62-F98 HydrophobicContact CG2-CD2 4.39Å; I62-F98 HydrophobicContact CG2-CE1 4.48Å; I62-F98 HydrophobicContact CG2-CE2 3.6Å; I62-F98 HydrophobicContact CG2-CZ 3.66Å; I62-I100 HydrophobicContact CD1-CD1 4.4Å; I62-I100 HydrophobicContact CD1-CG1 3.71Å; I62-I100 HydrophobicContact CG1-CD1 3.79Å; I62-I100 HydrophobicContact CG1-CG1 3.6Å; I62-I109 HydrophobicContact CG1-CD1 4.34Å
63R98.4Very high97.4Very high12 Ų1223.2 Ų23.25%0.04511%0.113CC..Hα-helixtrans-62.8-44.6-177.3-77.2178.2163.772.73.9112C34 E39 K59 L60 L61 A66 V67 V77 L258C34-R63 WeakPolarHBondContact O-CD 3.42Å; C34-R63 PolarHBondContact O-NE 2.86Å; C34-R63 VanDerWaalsContact O-NE 3.09Å; E39-R63 VanDerWaalsContact CD-NH1 3.3Å; E39-R63 IonicContact OE1-CZ 2.91Å; E39-R63 IonicContact OE1-NH1 3.16Å; E39-R63 PolarHBondContact OE1-NH1 3.31Å; E39-R63 IonicContact OE1-NH2 2.97Å; E39-R63 PolarHBondContact OE1-NH2 3.12Å; E39-R63 IonicContact OE2-CZ 2.67Å; E39-R63 VanDerWaalsContact OE2-CZ 3.26Å; E39-R63 IonicContact OE2-NH1 3.07Å; E39-R63 PolarHBondContact OE2-NH1 3.03Å; E39-R63 IonicContact OE2-NH2 2.64Å; E39-R63 PolarHBondContact OE2-NH2 3.31Å; K59-R63 WeakPolarHBondContact O-CG 3.22Å; K59-R63 PolarHBondContact O-N 3.48Å; K59-R63 VanDerWaalsContact O-N 3.07Å; L60-R63 PolarHBondContact O-N 3.05Å; L61-R63 PolarHBondContact O-N 3.4Å; R63-A66 PolarHBondContact O-N 2.99Å; R63-V67 WeakPolarHBondContact O-CG2 3.44Å; R63-V67 PolarHBondContact O-N 3.44Å; R63-V77 HydrophobicContact CG-CG1 4.03Å; R63-L258 HydrophobicContact CB-CD1 4.45Å; R63-L258 HydrophobicContact CB-CD2 3.83Å
64R98Very high97.3Very high18 Ų1824 Ų247%0.06812%0.119CC..Hα-helixtrans-60.9-48.1178.3-176.9-165.5171.8-81.59.1110.7E14 L60 L61 I62 A66 V67 R68 Q253 L254 L258E14-R64 IonicContact OE1-CZ 2.74Å; E14-R64 IonicContact OE1-NH1 3.48Å; E14-R64 PolarHBondContact OE1-NH1 3.12Å; E14-R64 IonicContact OE1-NH2 3.34Å; E14-R64 PolarHBondContact OE1-NH2 3.13Å; E14-R64 IonicContact OE2-CZ 3.48Å; E14-R64 IonicContact OE2-NH1 3.9Å; E14-R64 PolarHBondContact OE2-NH1 3.13Å; L60-R64 VanDerWaalsContact O-CB 3.26Å; L60-R64 WeakPolarHBondContact O-CB 3.35Å; L60-R64 PolarHBondContact O-N 3.25Å; L61-R64 PolarHBondContact O-N 2.95Å; I62-R64 PolarHBondContact O-N 2.71Å; R64-A66 VanDerWaalsContact C-N 3.32Å; R64-A66 PolarHBondContact O-N 3.35Å; R64-V67 PolarHBondContact O-N 3.35Å; R64-R68 HydrophobicContact CG-CG 4.44Å; R64-R68 VanDerWaalsContact CZ-CD 3.45Å; R64-R68 WeakPolarHBondContact O-CB 3.48Å; R64-R68 VanDerWaalsContact O-CG 3.3Å; R64-R68 WeakPolarHBondContact O-CG 3.28Å; R64-R68 PolarHBondContact O-N 2.9Å; R64-Q253 VanDerWaalsContact CD-O 3.26Å; R64-Q253 WeakPolarHBondContact CD-O 3.25Å; R64-Q253 PolarHBondContact NE-O 3.01Å; R64-L254 WeakPolarHBondContact CD-O 3.49Å; R64-L258 HydrophobicContact CB-CD2 4.45Å
65T97.1Very high97.3Very high3 Ų329.4 Ų29.42%0.01814%0.143CC..Hα-helixtrans-60.1-43.7176.9-58.10000110.9I12 L61 I62 Y69 L96 I109 A111I12-T65 HydrophobicContact CD1-CG2 3.82Å; L61-T65 WeakPolarHBondContact O-CB 3.44Å; L61-T65 PolarHBondContact O-N 3.29Å; L61-T65 PolarHBondContact O-OG1 3.16Å; I62-T65 PolarHBondContact O-N 3.08Å; T65-Y69 WeakPolarHBondContact O-CB 3.45Å; T65-Y69 PolarHBondContact O-N 3.2Å; T65-L96 HydrophobicContact CG2-CD2 4.2Å; T65-I109 HydrophobicContact CG2-CD1 4.29Å; T65-A111 HydrophobicContact CG2-CB 3.79Å
66A97.1Very high97.2Very high1 Ų133 Ų331%0.00816%0.161CC..Hα-helixtrans-61.1-53.1176.100000112.4I62 R63 R64 R68 L70 V77 I89I62-A66 WeakPolarHBondContact O-CB 3.39Å; I62-A66 PolarHBondContact O-N 3.41Å; R63-A66 PolarHBondContact O-N 2.99Å; R64-A66 VanDerWaalsContact C-N 3.32Å; R64-A66 PolarHBondContact O-N 3.35Å; A66-R68 VanDerWaalsContact C-N 3.32Å; A66-R68 PolarHBondContact O-N 3.24Å; A66-L70 HydrophobicContact CB-CD1 4.21Å; A66-L70 WeakPolarHBondContact O-CA 3.42Å; A66-L70 WeakPolarHBondContact O-CB 3.26Å; A66-L70 PolarHBondContact O-N 3.44Å; A66-V77 HydrophobicContact CB-CG1 3.95Å; A66-V77 HydrophobicContact CB-CG2 4.17Å; A66-I89 HydrophobicContact CB-CD1 4.14Å; A66-I89 HydrophobicContact CB-CG1 3.91Å
67V97.5Very high97.2Very high11 Ų1133.4 Ų33.47%0.06716%0.163CC..Hα-helixtrans-59-42.8-179.7169.40000111.7R63 R64 E71 P74 V77 K257 L258R63-V67 WeakPolarHBondContact O-CG2 3.44Å; R63-V67 PolarHBondContact O-N 3.44Å; R64-V67 PolarHBondContact O-N 3.35Å; V67-E71 VanDerWaalsContact O-CA 3.31Å; V67-E71 WeakPolarHBondContact O-CA 3.42Å; V67-E71 PolarHBondContact O-N 2.97Å; V67-P74 HydrophobicContact CG2-CB 3.99Å; V67-V77 HydrophobicContact CG2-CG2 3.73Å; V67-K257 HydrophobicContact CG1-CB 3.79Å; V67-K257 HydrophobicContact CG1-CD 4.38Å; V67-L258 HydrophobicContact CG2-CD2 4.25Å
68R95.6Very high97Very high105 Ų10539.3 Ų39.340%0.39619%0.188SC..Hα-helixtrans-78.1-38.8-175.8-67.9-178.371.388-0.2113.3R64 A66 D256 K257R64-R68 HydrophobicContact CG-CG 4.44Å; R64-R68 VanDerWaalsContact CZ-CD 3.45Å; R64-R68 WeakPolarHBondContact O-CB 3.48Å; R64-R68 VanDerWaalsContact O-CG 3.3Å; R64-R68 WeakPolarHBondContact O-CG 3.28Å; R64-R68 PolarHBondContact O-N 2.9Å; A66-R68 VanDerWaalsContact C-N 3.32Å; A66-R68 PolarHBondContact O-N 3.24Å; R68-D256 IonicContact CZ-OD2 3.19Å; R68-D256 IonicContact NH1-OD2 3.33Å; R68-D256 PolarHBondContact NH1-OD2 3.43Å; R68-K257 HydrophobicContact CG-CD 4.44Å
69Y94.5Very high97Very high31 Ų3140.3 Ų40.312%0.12219%0.192CC..Hα-helixtrans-86.3-43.6-175.9-173.2-97.9000112.4M7 K8 T10 I12 T65 E71 L96 S113M7-Y69 HydrophobicContact SD-CD1 4.24Å; M7-Y69 HydrophobicContact SD-CE1 3.7Å; K8-Y69 PolarHBondContact O-OH 3.42Å; T10-Y69 VanDerWaalsContact CB-CE2 3.49Å; T10-Y69 HydrophobicContact CG2-CD2 4.05Å; T10-Y69 HydrophobicContact CG2-CE2 3.67Å; I12-Y69 HydrophobicContact CD1-CD2 4.21Å; T65-Y69 WeakPolarHBondContact O-CB 3.45Å; T65-Y69 PolarHBondContact O-N 3.2Å; Y69-E71 VanDerWaalsContact C-N 3.31Å; Y69-L96 HydrophobicContact CD1-CB 4.23Å; Y69-L96 HydrophobicContact CD1-CD1 3.61Å; Y69-L96 HydrophobicContact CD1-CD2 3.93Å; Y69-L96 HydrophobicContact CD1-CG 4.13Å; Y69-L96 HydrophobicContact CE1-CB 4.42Å; Y69-L96 HydrophobicContact CE1-CD1 3.86Å; Y69-L96 HydrophobicContact CG-CD1 4.2Å; Y69-L96 HydrophobicContact CG-CD2 4.45Å; Y69-S113 WeakPolarHBondContact OH-CB 3.34Å; Y69-S113 PolarHBondContact OH-OG 2.92Å; Y69-S113 VanDerWaalsContact OH-OG 3.14Å
70L95.2Very high96.9Very high5 Ų543.3 Ų43.33%0.02621%0.207CC..Hα-helixtrans-84.9-8.6-179.2-56.1171000112.7A66 I72 I89 Y92 V95 L96A66-L70 HydrophobicContact CB-CD1 4.21Å; A66-L70 WeakPolarHBondContact O-CA 3.42Å; A66-L70 WeakPolarHBondContact O-CB 3.26Å; A66-L70 PolarHBondContact O-N 3.44Å; L70-I72 HydrophobicContact CB-CD1 4.27Å; L70-I72 HydrophobicContact CB-CG1 4.15Å; L70-I72 HydrophobicContact CB-CG2 4.06Å; L70-I72 HydrophobicContact CD1-CD1 4.08Å; L70-I72 PolarHBondContact O-N 2.83Å; L70-I89 HydrophobicContact CD1-CG1 4.49Å; L70-I89 HydrophobicContact CD1-CG2 4.4Å; L70-Y92 HydrophobicContact CB-CD1 4.42Å; L70-Y92 HydrophobicContact CD1-CD1 3.89Å; L70-Y92 HydrophobicContact CD1-CD2 4.17Å; L70-Y92 HydrophobicContact CD1-CG 3.65Å; L70-Y92 HydrophobicContact CD2-CD1 3.8Å; L70-Y92 HydrophobicContact CD2-CG 4.28Å; L70-Y92 HydrophobicContact CG-CD1 4.26Å; L70-Y92 HydrophobicContact CG-CG 4.5Å; L70-V95 HydrophobicContact CD2-CB 4.26Å; L70-V95 HydrophobicContact CD2-CG1 3.71Å; L70-L96 HydrophobicContact CD1-CD2 4.28Å; L70-L96 HydrophobicContact CD2-CB 3.95Å; L70-L96 HydrophobicContact CD2-CD2 4.35Å; L70-L96 HydrophobicContact CG-CD2 4.13Å
71E94.7Very high96.6Very high168 Ų16850.3 Ų50.379%0.78523%0.233SC*.  trans54.335.6-178-57.5-171.2146.500113.2V67 Y69V67-E71 VanDerWaalsContact O-CA 3.31Å; V67-E71 WeakPolarHBondContact O-CA 3.42Å; V67-E71 PolarHBondContact O-N 2.97Å; Y69-E71 VanDerWaalsContact C-N 3.31Å
72I95.8Very high96.3Very high16 Ų1651.6 Ų51.68%0.08224%0.242CC..  trans-97.7155.717861.7-180000111.9L70 V77 I89 Y92L70-I72 HydrophobicContact CB-CD1 4.27Å; L70-I72 HydrophobicContact CB-CG1 4.15Å; L70-I72 HydrophobicContact CB-CG2 4.06Å; L70-I72 HydrophobicContact CD1-CD1 4.08Å; L70-I72 PolarHBondContact O-N 2.83Å; I72-V77 HydrophobicContact CD1-CG2 3.85Å; I72-V77 HydrophobicContact CG1-CG2 4.07Å; I72-I89 HydrophobicContact CD1-CG2 4.46Å; I72-Y92 HydrophobicContact CD1-CE2 4.18Å; I72-Y92 HydrophobicContact CG2-CE1 4.17Å; I72-Y92 HydrophobicContact CG2-CE2 4.26Å; I72-Y92 VanDerWaalsContact CG2-OH 3.3Å; I72-Y92 WeakPolarHBondContact CG2-OH 3.26Å
73S97.1Very high95.9Very high47 Ų4757.6 Ų57.633%0.32928%0.281SS..  trans-58.7141172.1176.30000110.6H75 D76S73-H75 PolarHBondContact O-N 3.3Å; S73-H75 VanDerWaalsContact O-N 3.11Å; S73-H75 PolarHBondContact OG-N 3Å; S73-D76 VanDerWaalsContact CB-OD2 3.29Å; S73-D76 WeakPolarHBondContact CB-OD2 3.4Å; S73-D76 PolarHBondContact O-N 3.01Å
74P97.1Very high95.5Very high24 Ų2461.7 Ų61.716%0.15630%0.301CS..G310 helixtrans-55.7-28.717321.6-33000113V67 D76 A259V67-P74 HydrophobicContact CG2-CB 3.99Å; P74-D76 VanDerWaalsContact C-N 3.31Å; P74-D76 PolarHBondContact O-N 3Å; P74-A259 HydrophobicContact CB-CB 4.05Å; P74-A259 HydrophobicContact CG-CB 3.58Å
75H97.2Very high95.1Very high116 Ų11662.1 Ų62.154%0.53731%0.311SS..G310 helixtrans-73.5-21177.2-59.787.9000113.6S73 V260 L261S73-H75 PolarHBondContact O-N 3.3Å; S73-H75 VanDerWaalsContact O-N 3.11Å; S73-H75 PolarHBondContact OG-N 3Å; H75-V260 PolarHBondContact NE2-O 3.08Å; H75-L261 HydrophobicContact CB-CD2 4.44Å
76D96.5Very high94.8Very high100 Ų10063.1 Ų63.154%0.53532%0.315SS..G310 helixtrans-93.4-3.5-179.1-65.5-37.6000112.5S73 P74 K78S73-D76 VanDerWaalsContact CB-OD2 3.29Å; S73-D76 WeakPolarHBondContact CB-OD2 3.4Å; S73-D76 PolarHBondContact O-N 3.01Å; P74-D76 VanDerWaalsContact C-N 3.31Å; P74-D76 PolarHBondContact O-N 3Å; D76-K78 PolarHBondContact O-N 3.15Å
77V97.3Very high94.7Very high8 Ų863.9 Ų63.95%0.04832%0.319CS..  trans-72.995.2175.5-173.80000110.3R63 A66 V67 I72 I89R63-V77 HydrophobicContact CG-CG1 4.03Å; A66-V77 HydrophobicContact CB-CG1 3.95Å; A66-V77 HydrophobicContact CB-CG2 4.17Å; V67-V77 HydrophobicContact CG2-CG2 3.73Å; I72-V77 HydrophobicContact CD1-CG2 3.85Å; I72-V77 HydrophobicContact CG1-CG2 4.07Å; V77-I89 HydrophobicContact CG1-CD1 3.76Å
78K96.4Very high94.7Very high123 Ų12366.9 Ų66.954%0.53533%0.33SS..  trans-94.998.6175.5-66.9179.4-175.2176.60110.6D76 I89 L90D76-K78 PolarHBondContact O-N 3.15Å; K78-I89 WeakPolarHBondContact O-CA 3.28Å; K78-L90 HydrophobicContact CB-CB 3.94Å; K78-L90 HydrophobicContact CB-CD2 4.44Å; K78-L90 HydrophobicContact CD-CD2 4.17Å; K78-L90 PolarHBondContact O-N 3.38Å
79L97Very high94.8Very high27 Ų2762 Ų6214%0.14131%0.312CS..EExtended strand (participates in β ladder)trans-83.4114.7178.4-17958.3000111.3E39 K59 I62 P87 Y88 I89 F98E39-L79 WeakPolarHBondContact OE1-CD2 3.42Å; K59-L79 HydrophobicContact CD-CD2 3.61Å; I62-L79 HydrophobicContact CD1-CD1 4.31Å; I62-L79 HydrophobicContact CD1-CD2 3.93Å; I62-L79 HydrophobicContact CG2-CD1 3.86Å; I62-L79 HydrophobicContact CG2-CD2 4.24Å; L79-P87 HydrophobicContact CD1-CB 3.82Å; L79-Y88 WeakPolarHBondContact CD1-O 3.34Å; L79-I89 HydrophobicContact CD1-CD1 4.05Å; L79-F98 HydrophobicContact CD1-CZ 4.09Å
80E96.1Very high94.9Very high90 Ų9064.4 Ų64.442%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-114.3173.9177.1-69.6-60.1153.200111.5P87 Y88 L90E80-P87 CarbonylContact O-C 3.59Å; E80-P87 VanDerWaalsContact O-CA 3.28Å; E80-P87 WeakPolarHBondContact O-CA 3.28Å; E80-Y88 HydrophobicContact CB-CD1 4.33Å; E80-Y88 HydrophobicContact CB-CD2 4.38Å; E80-Y88 HydrophobicContact CB-CE1 3.76Å; E80-Y88 HydrophobicContact CB-CE2 3.8Å; E80-Y88 VanDerWaalsContact CB-CZ 3.45Å; E80-Y88 PolarHBondContact N-O 3.39Å; E80-Y88 PolarHBondContact O-N 3Å; E80-L90 HydrophobicContact CG-CB 4.04Å
81R94Very high95Very high146 Ų14667.4 Ų67.455%0.55136%0.358SS*.EExtended strand (participates in β ladder)trans-128.8140.2174.5-70.7-174.1-179.3-11411.1111.7G85 R86 Y88R81-G85 PolarHBondContact NH1-O 3.29Å; R81-R86 CarbonylContact C-O 3.59Å; R81-R86 VanDerWaalsContact CA-O 3.32Å; R81-R86 WeakPolarHBondContact CA-O 3.45Å; R81-Y88 VanDerWaalsContact C-CE1 3.48Å
82S91.9Very high95.1Very high27 Ų2761.3 Ų61.319%0.18933%0.329CS..  trans-66.8166.7169.586.10000110.9E84 G85 R86S82-E84 WeakPolarHBondContact CB-OE2 3.5Å; S82-E84 PolarHBondContact O-N 3.39Å; S82-E84 VanDerWaalsContact O-N 3.17Å; S82-E84 PolarHBondContact OG-N 3.32Å; S82-E84 PolarHBondContact OG-OE2 2.85Å; S82-G85 WeakPolarHBondContact O-CA 3.46Å; S82-G85 PolarHBondContact O-N 3.16Å; S82-R86 PolarHBondContact N-O 2.92Å; S82-R86 PolarHBondContact OG-N 2.97Å
83P90.6Very high94.9Very high131 Ų13163.5 Ų63.585%0.85135%0.345SS*.THydrogen-bonded Turntrans-54.6-30.6173.2-26.936.4000114G85P83-G85 PolarHBondContact O-N 3.44Å
84E88.5Confident94.6Very high99 Ų9968.9 Ų68.946%0.46337%0.37SS..THydrogen-bonded Turntrans-81.91.3175.9-53.972.1-154.200112.6S82S82-E84 WeakPolarHBondContact CB-OE2 3.5Å; S82-E84 PolarHBondContact O-N 3.39Å; S82-E84 VanDerWaalsContact O-N 3.17Å; S82-E84 PolarHBondContact OG-N 3.32Å; S82-E84 PolarHBondContact OG-OE2 2.85Å
85G89.2Confident94.5Very high27 Ų2770.1 Ų70.128%0.27838%0.377SS..  trans85.64.7177.300000114.9R81 S82 P83R81-G85 PolarHBondContact NH1-O 3.29Å; S82-G85 WeakPolarHBondContact O-CA 3.46Å; S82-G85 PolarHBondContact O-N 3.16Å; P83-G85 PolarHBondContact O-N 3.44Å
86R91.7Very high94.4Very high23 Ų2364.9 Ų64.99%0.08735%0.353CS..  trans-71.6125.6-179.2-176176.8176.689.83.6110.4R81 S82 D97 F98 N99 C117 K177R81-R86 CarbonylContact C-O 3.59Å; R81-R86 VanDerWaalsContact CA-O 3.32Å; R81-R86 WeakPolarHBondContact CA-O 3.45Å; S82-R86 PolarHBondContact N-O 2.92Å; S82-R86 PolarHBondContact OG-N 2.97Å; R86-D97 IonicContact CZ-OD1 3.21Å; R86-D97 IonicContact CZ-OD2 3.26Å; R86-D97 IonicContact NE-OD1 2.64Å; R86-D97 PolarHBondContact NE-OD1 3.38Å; R86-D97 IonicContact NH2-OD1 3.56Å; R86-D97 PolarHBondContact NH2-OD1 3.34Å; R86-D97 IonicContact NH2-OD2 3.66Å; R86-D97 PolarHBondContact NH2-OD2 2.99Å; R86-F98 PolarHBondContact NH2-O 2.84Å; R86-F98 VanDerWaalsContact NH2-O 3.12Å; R86-N99 PolarHBondContact NH1-ND2 3.12Å; R86-C117 PolarHBondContact NH1-O 2.84Å; R86-C117 VanDerWaalsContact NH1-O 3.11Å; R86-C117 PolarHBondContact NH2-O 2.88Å; R86-K177 PolarHBondContact NH1-O 3.12Å
87P95Very high94.3Very high17 Ų1760.9 Ų60.911%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-70.8146.7178.429.5-34.2000112.2I62 L79 E80 F98I62-P87 HydrophobicContact CD1-CB 4.23Å; I62-P87 HydrophobicContact CD1-CG 4.35Å; L79-P87 HydrophobicContact CD1-CB 3.82Å; E80-P87 CarbonylContact O-C 3.59Å; E80-P87 VanDerWaalsContact O-CA 3.28Å; E80-P87 WeakPolarHBondContact O-CA 3.28Å; P87-F98 HydrophobicContact CB-CE2 3.84Å; P87-F98 HydrophobicContact CB-CZ 4.27Å; P87-F98 HydrophobicContact CG-CD2 4.5Å; P87-F98 HydrophobicContact CG-CE2 3.86Å
88Y96.8Very high94.4Very high74 Ų7460.8 Ų60.829%0.2933%0.331SS..EExtended strand (participates in β ladder)trans-150.6159.2170.666.7-86.1000110.9L79 E80 R81 L90L79-Y88 WeakPolarHBondContact CD1-O 3.34Å; E80-Y88 HydrophobicContact CB-CD1 4.33Å; E80-Y88 HydrophobicContact CB-CD2 4.38Å; E80-Y88 HydrophobicContact CB-CE1 3.76Å; E80-Y88 HydrophobicContact CB-CE2 3.8Å; E80-Y88 VanDerWaalsContact CB-CZ 3.45Å; E80-Y88 PolarHBondContact N-O 3.39Å; E80-Y88 PolarHBondContact O-N 3Å; R81-Y88 VanDerWaalsContact C-CE1 3.48Å; Y88-L90 HydrophobicContact CE2-CD1 4.24Å
89I98Very high94.4Very high3 Ų355.4 Ų55.42%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-88.8120.9171.8-53.7-47.2000108.8I62 A66 L70 I72 V77 K78 L79 G91 Y92 S93 F98I62-I89 HydrophobicContact CG2-CD1 3.76Å; A66-I89 HydrophobicContact CB-CD1 4.14Å; A66-I89 HydrophobicContact CB-CG1 3.91Å; L70-I89 HydrophobicContact CD1-CG1 4.49Å; L70-I89 HydrophobicContact CD1-CG2 4.4Å; I72-I89 HydrophobicContact CD1-CG2 4.46Å; V77-I89 HydrophobicContact CG1-CD1 3.76Å; K78-I89 WeakPolarHBondContact O-CA 3.28Å; L79-I89 HydrophobicContact CD1-CD1 4.05Å; I89-G91 PolarHBondContact O-N 3.45Å; I89-Y92 HydrophobicContact CG2-CD2 3.79Å; I89-Y92 HydrophobicContact CG2-CG 4.45Å; I89-Y92 PolarHBondContact O-N 2.97Å; I89-S93 PolarHBondContact O-N 3.24Å; I89-F98 HydrophobicContact CD1-CE1 4.11Å; I89-F98 HydrophobicContact CD1-CZ 3.99Å; I89-F98 HydrophobicContact CG1-CE1 3.81Å; I89-F98 HydrophobicContact CG1-CZ 4.21Å
90L97.2Very high94.5Very high82 Ų8255.6 Ų55.643%0.42931%0.309SS..THydrogen-bonded Turntrans-58.7125.4-179.9-178.166.1000110.8K78 E80 Y88 Y92K78-L90 HydrophobicContact CB-CB 3.94Å; K78-L90 HydrophobicContact CB-CD2 4.44Å; K78-L90 HydrophobicContact CD-CD2 4.17Å; K78-L90 PolarHBondContact O-N 3.38Å; E80-L90 HydrophobicContact CG-CB 4.04Å; Y88-L90 HydrophobicContact CE2-CD1 4.24Å; L90-Y92 WeakPolarHBondContact O-CD2 3.45Å
91G96.8Very high94.6Very high67 Ų6751.6 Ų51.669%0.69129%0.291SS*.THydrogen-bonded Turntrans88.1-4-177.900000115.2I89I89-G91 PolarHBondContact O-N 3.45Å
92Y96.3Very high94.7Very high41 Ų4149.7 Ų49.716%0.16129%0.288CS..  trans-130.812.4-176.7-62.5-87.6000113.9L70 I72 I89 L90 D94 V95 L96L70-Y92 HydrophobicContact CB-CD1 4.42Å; L70-Y92 HydrophobicContact CD1-CD1 3.89Å; L70-Y92 HydrophobicContact CD1-CD2 4.17Å; L70-Y92 HydrophobicContact CD1-CG 3.65Å; L70-Y92 HydrophobicContact CD2-CD1 3.8Å; L70-Y92 HydrophobicContact CD2-CG 4.28Å; L70-Y92 HydrophobicContact CG-CD1 4.26Å; L70-Y92 HydrophobicContact CG-CG 4.5Å; I72-Y92 HydrophobicContact CD1-CE2 4.18Å; I72-Y92 HydrophobicContact CG2-CE1 4.17Å; I72-Y92 HydrophobicContact CG2-CE2 4.26Å; I72-Y92 VanDerWaalsContact CG2-OH 3.3Å; I72-Y92 WeakPolarHBondContact CG2-OH 3.26Å; I89-Y92 HydrophobicContact CG2-CD2 3.79Å; I89-Y92 HydrophobicContact CG2-CG 4.45Å; I89-Y92 PolarHBondContact O-N 2.97Å; L90-Y92 WeakPolarHBondContact O-CD2 3.45Å; Y92-D94 PolarHBondContact O-N 3.49Å; Y92-V95 PolarHBondContact O-N 3.36Å; Y92-L96 PolarHBondContact O-N 2.9Å
93S92.6Very high94.9Very high62 Ų6249 Ų4943%0.43428%0.284SS..THydrogen-bonded Turntrans-61.9-26.2-178.852.90000114.2I89I89-S93 PolarHBondContact O-N 3.24Å
94D91.6Very high95Very high159 Ų15943.6 Ų43.685%0.8525%0.253SS*.THydrogen-bonded Turntrans-89.4-6.6177.6-57-32.4000112.7Y92Y92-D94 PolarHBondContact O-N 3.49Å
95V93.4Very high95.4Very high51 Ų5139.5 Ų39.531%0.30923%0.234SC..THydrogen-bonded Turntrans-104.9-40.4-177.1-177.80000111.2M7 L70 Y92 S113M7-V95 HydrophobicContact SD-CG1 4.08Å; L70-V95 HydrophobicContact CD2-CB 4.26Å; L70-V95 HydrophobicContact CD2-CG1 3.71Å; Y92-V95 PolarHBondContact O-N 3.36Å; V95-S113 WeakPolarHBondContact O-CA 3.45Å; V95-S113 WeakPolarHBondContact O-CB 3.5Å
96L95.3Very high95.8Very high5 Ų538.2 Ų38.23%0.02622%0.221CC..  trans-140.9116.6-176.5-177.467.7000110.2T65 Y69 L70 Y92 A111T65-L96 HydrophobicContact CG2-CD2 4.2Å; Y69-L96 HydrophobicContact CD1-CB 4.23Å; Y69-L96 HydrophobicContact CD1-CD1 3.61Å; Y69-L96 HydrophobicContact CD1-CD2 3.93Å; Y69-L96 HydrophobicContact CD1-CG 4.13Å; Y69-L96 HydrophobicContact CE1-CB 4.42Å; Y69-L96 HydrophobicContact CE1-CD1 3.86Å; Y69-L96 HydrophobicContact CG-CD1 4.2Å; Y69-L96 HydrophobicContact CG-CD2 4.45Å; L70-L96 HydrophobicContact CD1-CD2 4.28Å; L70-L96 HydrophobicContact CD2-CB 3.95Å; L70-L96 HydrophobicContact CD2-CD2 4.35Å; L70-L96 HydrophobicContact CG-CD2 4.13Å; Y92-L96 PolarHBondContact O-N 2.9Å; L96-A111 HydrophobicContact CD1-CB 3.97Å
97D95.9Very high96.2Very high17 Ų1737.1 Ų37.19%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-99.2141.6167.3-178.973.1000109.8R86 A111 T112 G115 R116 C117R86-D97 IonicContact CZ-OD1 3.21Å; R86-D97 IonicContact CZ-OD2 3.26Å; R86-D97 IonicContact NE-OD1 2.64Å; R86-D97 PolarHBondContact NE-OD1 3.38Å; R86-D97 IonicContact NH2-OD1 3.56Å; R86-D97 PolarHBondContact NH2-OD1 3.34Å; R86-D97 IonicContact NH2-OD2 3.66Å; R86-D97 PolarHBondContact NH2-OD2 2.99Å; D97-A111 CarbonylContact O-C 3.6Å; D97-A111 VanDerWaalsContact O-CA 3.22Å; D97-A111 WeakPolarHBondContact O-CA 3.39Å; D97-T112 HydrophobicContact CB-CG2 4.34Å; D97-T112 PolarHBondContact N-O 2.88Å; D97-T112 PolarHBondContact O-N 3.26Å; D97-G115 VanDerWaalsContact CB-O 3.27Å; D97-G115 WeakPolarHBondContact CB-O 3.29Å; D97-R116 IonicContact OD1-NE 2.69Å; D97-R116 WeakPolarHBondContact OD2-CA 3.42Å; D97-C117 PolarHBondContact OD2-N 2.79Å; D97-C117 PolarHBondContact OD2-SG 3.03Å
98F97.3Very high96.3Very high5 Ų536.3 Ų36.32%0.02221%0.212CC..EExtended strand (participates in β ladder)trans-148.2158.6178.361.1-88.5000111.8I62 L79 R86 P87 I89 I109 A110 A111I62-F98 HydrophobicContact CB-CE2 4.21Å; I62-F98 HydrophobicContact CD1-CD2 4.47Å; I62-F98 HydrophobicContact CD1-CE2 3.79Å; I62-F98 HydrophobicContact CG1-CD2 3.94Å; I62-F98 HydrophobicContact CG1-CE2 3.6Å; I62-F98 HydrophobicContact CG1-CZ 4.5Å; I62-F98 HydrophobicContact CG2-CD2 4.39Å; I62-F98 HydrophobicContact CG2-CE1 4.48Å; I62-F98 HydrophobicContact CG2-CE2 3.6Å; I62-F98 HydrophobicContact CG2-CZ 3.66Å; L79-F98 HydrophobicContact CD1-CZ 4.09Å; R86-F98 PolarHBondContact NH2-O 2.84Å; R86-F98 VanDerWaalsContact NH2-O 3.12Å; P87-F98 HydrophobicContact CB-CE2 3.84Å; P87-F98 HydrophobicContact CB-CZ 4.27Å; P87-F98 HydrophobicContact CG-CD2 4.5Å; P87-F98 HydrophobicContact CG-CE2 3.86Å; I89-F98 HydrophobicContact CD1-CE1 4.11Å; I89-F98 HydrophobicContact CD1-CZ 3.99Å; I89-F98 HydrophobicContact CG1-CE1 3.81Å; I89-F98 HydrophobicContact CG1-CZ 4.21Å; F98-I109 HydrophobicContact CB-CD1 4.19Å; F98-I109 HydrophobicContact CB-CG1 4.36Å; F98-I109 HydrophobicContact CD2-CD1 4.34Å; F98-I109 HydrophobicContact CG-CD1 4.49Å; F98-A110 CarbonylContact C-O 3.54Å; F98-A110 WeakPolarHBondContact CA-O 3.26Å; F98-A110 WeakPolarHBondContact CB-O 3.32Å; F98-A111 HydrophobicContact CB-CB 3.68Å
99N98Very high96.4Very high11 Ų1132.8 Ų32.86%0.05920%0.198CC..EExtended strand (participates in β ladder)trans-141.8142.4176-170.8-109.4000111R86 I109 A110 T119 K177R86-N99 PolarHBondContact NH1-ND2 3.12Å; N99-I109 WeakPolarHBondContact O-CA 3.42Å; N99-A110 PolarHBondContact N-O 3.24Å; N99-A110 PolarHBondContact O-N 3.43Å; N99-T119 HydrophobicContact CB-CG2 4.41Å; N99-T119 WeakPolarHBondContact O-CG2 3.26Å; N99-T119 PolarHBondContact OD1-N 2.8Å; N99-T119 PolarHBondContact OD1-O 3.14Å; N99-K177 WeakPolarHBondContact OD1-CD 3.3Å
100I97.9Very high96.4Very high30 Ų3032.7 Ų32.715%0.15420%0.197CC..EExtended strand (participates in β ladder)trans-112.5138.6178.2-63-70000109.3L61 I62 T107 I108 I109L61-I100 HydrophobicContact CB-CD1 4.12Å; I62-I100 HydrophobicContact CD1-CD1 4.4Å; I62-I100 HydrophobicContact CD1-CG1 3.71Å; I62-I100 HydrophobicContact CG1-CD1 3.79Å; I62-I100 HydrophobicContact CG1-CG1 3.6Å; I100-T107 HydrophobicContact CG2-CG2 3.99Å; I100-I108 WeakPolarHBondContact CA-O 3.36Å; I100-I109 HydrophobicContact CD1-CB 3.42Å; I100-I109 VanDerWaalsContact CD1-CB 3.42Å; I100-I109 HydrophobicContact CD1-CD1 3.73Å; I100-I109 HydrophobicContact CD1-CG1 3.47Å; I100-I109 VanDerWaalsContact CD1-CG1 3.47Å; I100-I109 HydrophobicContact CG1-CG1 4.42Å
101S98.2Very high96.4Very high6 Ų628.8 Ų28.84%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-130.7158.3161.5-158.20000111.1T107 I108 T119 D120 K177S101-T107 CarbonylContact O-C 3.58Å; S101-T107 WeakPolarHBondContact O-CA 3.22Å; S101-I108 PolarHBondContact N-O 2.97Å; S101-I108 PolarHBondContact O-N 3.04Å; S101-T119 WeakPolarHBondContact CB-O 3.33Å; S101-D120 PolarHBondContact OG-OD1 2.9Å; S101-K177 PolarHBondContact OG-NZ 2.86Å
102H96.7Very high96.2Very high107 Ų10725.7 Ų25.750%0.49514%0.144SC..EExtended strand (participates in β ladder)trans-141.7138.9171.753.4-75.8000108.8F106 T107H102-F106 CarbonylContact C-O 3.18Å; H102-F106 WeakPolarHBondContact CA-O 3.15Å; H102-T107 HydrophobicContact CB-CG2 4.29Å
103G95.4Very high96Very high11 Ų1125.4 Ų25.411%0.11315%0.148CC..EExtended strand (participates in β ladder)trans-167130.1-176.400000110D105 F106 V121 H226G103-D105 PolarHBondContact O-N 2.9Å; G103-D105 VanDerWaalsContact O-N 3.16Å; G103-F106 PolarHBondContact N-O 3.38Å; G103-F106 PolarHBondContact O-N 3.36Å; G103-V121 WeakPolarHBondContact CA-O 3.42Å; G103-H226 PolarHBondContact O-CD2 3.23Å
104G93.8Very high95.8Very high19 Ų1924.3 Ų24.320%0.19614%0.136CC..THydrogen-bonded Turntrans60.1-115.9-173.500000111H18 H226H18-G104 PolarHBondContact NE2-O 3.49Å; G104-H226 WeakPolarHBondContact CA-NE2 3.42Å
105D96.2Very high95.8Very high13 Ų1317.5 Ų17.57%0.0710%0.104CC..THydrogen-bonded Turntrans-98.5-3.4-175.2-57.8-39.6000113.3C17 H18 G19 G103 H226 R285C17-D105 CarbonylContact C-O 3.53Å; C17-D105 VanDerWaalsContact CA-O 3.24Å; C17-D105 WeakPolarHBondContact CA-O 3.37Å; H18-D105 VanDerWaalsContact CE1-C 3.49Å; H18-D105 PolarHBondContact N-O 2.76Å; H18-D105 PolarHBondContact ND1-O 3.21Å; G19-D105 PolarHBondContact N-O 3.38Å; G103-D105 PolarHBondContact O-N 2.9Å; G103-D105 VanDerWaalsContact O-N 3.16Å; D105-H226 PolarHBondContact N-NE2 3.48Å; D105-H226 IonicContact OD2-CE1 3.32Å; D105-R285 IonicContact OD2-NH2 3.33Å; D105-R285 PolarHBondContact OD2-NH2 3.3Å
106F98.4Very high95.8Very high0 Ų019.6 Ų19.60%011%0.106CC..EExtended strand (participates in β ladder)trans-114.3139.9-172.5-78.7-87.2000113.4A15 C17 H18 H102 G103 I108 V121 L222 P223 H226A15-F106 HydrophobicContact CB-CD1 4.12Å; A15-F106 HydrophobicContact CB-CE1 4.47Å; C17-F106 HydrophobicContact CB-CD1 4.17Å; C17-F106 HydrophobicContact CB-CE1 3.7Å; C17-F106 HydrophobicContact CB-CE2 4.48Å; C17-F106 HydrophobicContact CB-CZ 3.86Å; H18-F106 PolarHBondContact CE1-N 3.17Å; H18-F106 PolarHBondContact CE1-O 3.45Å; H18-F106 VanDerWaalsContact CE1-O 3.28Å; H102-F106 CarbonylContact C-O 3.18Å; H102-F106 WeakPolarHBondContact CA-O 3.15Å; G103-F106 PolarHBondContact N-O 3.38Å; G103-F106 PolarHBondContact O-N 3.36Å; F106-I108 HydrophobicContact CB-CG2 4.34Å; F106-V121 HydrophobicContact CB-CG2 4.16Å; F106-L222 HydrophobicContact CB-CD1 4.37Å; F106-L222 HydrophobicContact CD1-CD1 4.09Å; F106-L222 HydrophobicContact CD2-CB 4.48Å; F106-L222 HydrophobicContact CE2-CB 4.3Å; F106-L222 HydrophobicContact CG-CD1 4.07Å; F106-L222 HydrophobicContact CZ-CB 4.37Å; F106-P223 HydrophobicContact CE2-CB 4.39Å; F106-P223 WeakPolarHBondContact CE2-O 3.16Å; F106-P223 HydrophobicContact CZ-CB 4.07Å; F106-P223 HydrophobicContact CZ-CG 4.17Å; F106-H226 HydrophobicContact CD2-CB 4.08Å; F106-H226 AromaticContact CD2-CD2 3.94Å; F106-H226 AromaticContact CD2-CE1 3.97Å; F106-H226 AromaticContact CD2-CG 3.66Å; F106-H226 AromaticContact CD2-ND1 3.67Å; F106-H226 HydrophobicContact CE2-CB 4.49Å; F106-H226 AromaticContact CE2-ND1 3.79Å
107T98.7Very high95.7Very high0 Ų019.3 Ų19.30%011%0.105CC..EExtended strand (participates in β ladder)trans-113.3130.9158.5-55.30000107.5F16 H18 V57 L61 I100 S101 H102F16-T107 PolarHBondContact N-O 3.1Å; F16-T107 PolarHBondContact O-N 2.92Å; H18-T107 PolarHBondContact CE1-OG1 3.42Å; H18-T107 PolarHBondContact ND1-N 3.49Å; H18-T107 VanDerWaalsContact ND1-N 3.19Å; H18-T107 PolarHBondContact ND1-OG1 2.65Å; V57-T107 HydrophobicContact CG1-CG2 4.09Å; L61-T107 HydrophobicContact CD1-CG2 3.89Å; I100-T107 HydrophobicContact CG2-CG2 3.99Å; S101-T107 CarbonylContact O-C 3.58Å; S101-T107 WeakPolarHBondContact O-CA 3.22Å; H102-T107 HydrophobicContact CB-CG2 4.29Å
108I98.7Very high95.8Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-126.9152.2-176.666166.7000111.4E14 A15 I100 S101 F106 T119 V121 L222 A228 F246E14-I108 CarbonylContact O-C 3.57Å; E14-I108 WeakPolarHBondContact O-CA 3.01Å; A15-I108 HydrophobicContact CB-CG2 3.72Å; I100-I108 WeakPolarHBondContact CA-O 3.36Å; S101-I108 PolarHBondContact N-O 2.97Å; S101-I108 PolarHBondContact O-N 3.04Å; F106-I108 HydrophobicContact CB-CG2 4.34Å; I108-T119 HydrophobicContact CD1-CG2 3.95Å; I108-T119 WeakPolarHBondContact CD1-OG1 3.42Å; I108-T119 HydrophobicContact CG1-CG2 3.98Å; I108-V121 HydrophobicContact CD1-CB 3.7Å; I108-V121 HydrophobicContact CD1-CG1 4.07Å; I108-V121 HydrophobicContact CG1-CB 4.07Å; I108-V121 HydrophobicContact CG1-CG1 3.87Å; I108-V121 HydrophobicContact CG2-CB 4.46Å; I108-V121 HydrophobicContact CG2-CG1 4.37Å; I108-L222 HydrophobicContact CG2-CD1 3.91Å; I108-A228 HydrophobicContact CD1-CB 3.81Å; I108-F246 HydrophobicContact CB-CD1 4.44Å; I108-F246 HydrophobicContact CB-CE1 3.82Å; I108-F246 HydrophobicContact CB-CZ 4.44Å; I108-F246 HydrophobicContact CD1-CE1 4.13Å; I108-F246 HydrophobicContact CD1-CZ 3.88Å; I108-F246 HydrophobicContact CG2-CD1 4.44Å; I108-F246 HydrophobicContact CG2-CE1 4.22Å
109I98.6Very high95.8Very high0 Ų018.3 Ų18.30%010%0.1CC..EExtended strand (participates in β ladder)trans-125.3134.9169.9-167.1173.9000110.3E14 L61 I62 T65 F98 N99 I100E14-I109 HydrophobicContact CB-CG2 3.74Å; E14-I109 PolarHBondContact N-O 3.21Å; E14-I109 PolarHBondContact O-N 3.11Å; L61-I109 HydrophobicContact CB-CB 4.23Å; L61-I109 HydrophobicContact CB-CD1 4.49Å; L61-I109 HydrophobicContact CB-CG2 4.12Å; L61-I109 HydrophobicContact CD1-CB 4.45Å; L61-I109 HydrophobicContact CD1-CG2 4.43Å; L61-I109 HydrophobicContact CD2-CG2 4.13Å; L61-I109 HydrophobicContact CG-CG2 4.46Å; I62-I109 HydrophobicContact CG1-CD1 4.34Å; T65-I109 HydrophobicContact CG2-CD1 4.29Å; F98-I109 HydrophobicContact CB-CD1 4.19Å; F98-I109 HydrophobicContact CB-CG1 4.36Å; F98-I109 HydrophobicContact CD2-CD1 4.34Å; F98-I109 HydrophobicContact CG-CD1 4.49Å; N99-I109 WeakPolarHBondContact O-CA 3.42Å; I100-I109 HydrophobicContact CD1-CB 3.42Å; I100-I109 VanDerWaalsContact CD1-CB 3.42Å; I100-I109 HydrophobicContact CD1-CD1 3.73Å; I100-I109 HydrophobicContact CD1-CG1 3.47Å; I100-I109 VanDerWaalsContact CD1-CG1 3.47Å; I100-I109 HydrophobicContact CG1-CG1 4.42Å
110A97.4Very high95.8Very high0 Ų018.1 Ų18.10%010%0.099CC..EExtended strand (participates in β ladder)trans-109.1138159.900000108.5I12 F98 N99 C117 T119 V230 W232I12-A110 WeakPolarHBondContact O-CA 3.17Å; F98-A110 CarbonylContact C-O 3.54Å; F98-A110 WeakPolarHBondContact CA-O 3.26Å; F98-A110 WeakPolarHBondContact CB-O 3.32Å; N99-A110 PolarHBondContact N-O 3.24Å; N99-A110 PolarHBondContact O-N 3.43Å; A110-C117 PolarHBondContact O-SG 2.76Å; A110-T119 HydrophobicContact CB-CG2 4.06Å; A110-V230 HydrophobicContact CB-CG1 3.51Å; A110-V230 HydrophobicContact CB-CG2 4.42Å; A110-W232 HydrophobicContact CB-CH2 3.9Å; A110-W232 HydrophobicContact CB-CZ3 4.29Å
111A96.6Very high95.8Very high0 Ų016.7 Ų16.70%09%0.091CC..EExtended strand (participates in β ladder)trans-141.8145.7173.800000112R11 I12 T65 L96 D97 F98R11-A111 CarbonylContact C-O 3.49Å; R11-A111 WeakPolarHBondContact CA-O 3.19Å; I12-A111 HydrophobicContact CB-CB 4.16Å; I12-A111 HydrophobicContact CD1-CB 4.46Å; I12-A111 PolarHBondContact N-O 2.7Å; I12-A111 PolarHBondContact O-N 2.71Å; T65-A111 HydrophobicContact CG2-CB 3.79Å; L96-A111 HydrophobicContact CD1-CB 3.97Å; D97-A111 CarbonylContact O-C 3.6Å; D97-A111 VanDerWaalsContact O-CA 3.22Å; D97-A111 WeakPolarHBondContact O-CA 3.39Å; F98-A111 HydrophobicContact CB-CB 3.68Å
112T94Very high95.7Very high2 Ų218.3 Ų18.31%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-145.3150.9179.8-174.90000112.4T10 D97 E114 C117 W232T10-T112 VanDerWaalsContact O-CA 3.29Å; T10-T112 WeakPolarHBondContact O-CA 3.37Å; T10-T112 PolarHBondContact O-OG1 3.14Å; D97-T112 HydrophobicContact CB-CG2 4.34Å; D97-T112 PolarHBondContact N-O 2.88Å; D97-T112 PolarHBondContact O-N 3.26Å; T112-E114 PolarHBondContact OG1-N 3.15Å; T112-E114 VanDerWaalsContact OG1-N 3.14Å; T112-C117 HydrophobicContact CG2-CB 3.85Å; T112-W232 HydrophobicContact CG2-CE3 4.17Å; T112-W232 HydrophobicContact CG2-CZ3 4.21Å
113S92.3Very high95.7Very high35 Ų3513.7 Ų13.725%0.2458%0.078CC..SBendtrans-102.81.9171.865.60000113.8T10 Y69 V95T10-S113 PolarHBondContact N-OG 3.16Å; T10-S113 VanDerWaalsContact N-OG 3.15Å; T10-S113 PolarHBondContact O-N 3.39Å; Y69-S113 WeakPolarHBondContact OH-CB 3.34Å; Y69-S113 PolarHBondContact OH-OG 2.92Å; Y69-S113 VanDerWaalsContact OH-OG 3.14Å; V95-S113 WeakPolarHBondContact O-CA 3.45Å; V95-S113 WeakPolarHBondContact O-CB 3.5Å
114E88Confident95.6Very high39 Ų3913.5 Ų13.518%0.1828%0.075CC..SBendtrans-117.919.6-168.9-63.8-17511200113.6A9 T112 E234 N235 K241A9-E114 HydrophobicContact CB-CG 4.12Å; A9-E114 WeakPolarHBondContact CB-OE1 3.5Å; A9-E114 VanDerWaalsContact CB-OE2 3.31Å; A9-E114 WeakPolarHBondContact CB-OE2 3.11Å; T112-E114 PolarHBondContact OG1-N 3.15Å; T112-E114 VanDerWaalsContact OG1-N 3.14Å; E114-E234 WeakPolarHBondContact O-CA 3.31Å; E114-N235 PolarHBondContact O-N 3.03Å; E114-N235 VanDerWaalsContact O-N 3.09Å; E114-K241 IonicContact OE2-NZ 2.76Å; E114-K241 PolarHBondContact OE2-NZ 2.91Å
115G90.9Very high95.5Very high16 Ų1613.6 Ų13.617%0.1657%0.07CC..EExtended strand (participates in β ladder)trans149.2-129.9178.800000111.7D97 S233D97-G115 VanDerWaalsContact CB-O 3.27Å; D97-G115 WeakPolarHBondContact CB-O 3.29Å; G115-S233 WeakPolarHBondContact CA-O 3.46Å
116R93.1Very high95.3Very high95 Ų9513.4 Ų13.436%0.3587%0.069SC..EExtended strand (participates in β ladder)trans-122.4146.7-174.9-64.6-73.8-70-133.5-9.5110.8D97 A178 S233D97-R116 IonicContact OD1-NE 2.69Å; D97-R116 WeakPolarHBondContact OD2-CA 3.42Å; R116-A178 PolarHBondContact NE-O 3Å; R116-S233 PolarHBondContact N-O 3.39Å; R116-S233 PolarHBondContact O-N 2.93Å
117C94.7Very high94.7Very high0 Ų014.8 Ų14.80%08%0.078CC..EExtended strand (participates in β ladder)trans-135.7154.9176.970.80000112.9R86 D97 A110 T112 A178 A231 W232R86-C117 PolarHBondContact NH1-O 2.84Å; R86-C117 VanDerWaalsContact NH1-O 3.11Å; R86-C117 PolarHBondContact NH2-O 2.88Å; D97-C117 PolarHBondContact OD2-N 2.79Å; D97-C117 PolarHBondContact OD2-SG 3.03Å; A110-C117 PolarHBondContact O-SG 2.76Å; T112-C117 HydrophobicContact CG2-CB 3.85Å; C117-A178 WeakPolarHBondContact O-CA 3.44Å; C117-A231 CarbonylContact C-O 3.2Å; C117-A231 WeakPolarHBondContact CA-O 3.44Å; C117-W232 HydrophobicContact CB-CE3 3.47Å; C117-W232 VanDerWaalsContact CB-CE3 3.47Å; C117-W232 HydrophobicContact CB-CZ3 3.49Å; C117-W232 VanDerWaalsContact CB-CZ3 3.49Å
118G96.1Very high93.8Very high0 Ų016 Ų160%09%0.088CC..EExtended strand (participates in β ladder)trans-145.1148172.900000109.2A174 V230 A231G118-A174 VanDerWaalsContact CA-O 3.32Å; G118-A174 WeakPolarHBondContact CA-O 3.49Å; G118-V230 CarbonylContact O-C 3.48Å; G118-V230 WeakPolarHBondContact O-CA 3.42Å; G118-A231 PolarHBondContact N-O 3.09Å; G118-A231 PolarHBondContact O-N 3.33Å
119T97.6Very high92.9Very high0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-140.8149.4180-167.30000111.3N99 S101 I108 A110 K177 V229N99-T119 HydrophobicContact CB-CG2 4.41Å; N99-T119 WeakPolarHBondContact O-CG2 3.26Å; N99-T119 PolarHBondContact OD1-N 2.8Å; N99-T119 PolarHBondContact OD1-O 3.14Å; S101-T119 WeakPolarHBondContact CB-O 3.33Å; I108-T119 HydrophobicContact CD1-CG2 3.95Å; I108-T119 WeakPolarHBondContact CD1-OG1 3.42Å; I108-T119 HydrophobicContact CG1-CG2 3.98Å; A110-T119 HydrophobicContact CB-CG2 4.06Å; T119-K177 WeakPolarHBondContact O-CD 3.39Å; T119-K177 PolarHBondContact O-NZ 3.19Å; T119-V229 CarbonylContact C-O 3.46Å; T119-V229 WeakPolarHBondContact CA-O 3.42Å; T119-V229 PolarHBondContact OG1-O 2.87Å
120D98Very high92.2Very high7 Ų727.1 Ų27.14%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-136153171.4-160.145.1000111.4S101 C170 E173 K177 A228 V229S101-D120 PolarHBondContact OG-OD1 2.9Å; D120-C170 HydrophobicContact CB-CB 4.13Å; D120-C170 PolarHBondContact OD2-SG 3.48Å; D120-E173 HydrophobicContact CB-CB 3.69Å; D120-K177 IonicContact OD1-NZ 3.4Å; D120-K177 PolarHBondContact OD1-NZ 2.86Å; D120-A228 CarbonylContact O-C 3.47Å; D120-A228 WeakPolarHBondContact O-CA 3.39Å; D120-V229 PolarHBondContact N-O 2.98Å; D120-V229 PolarHBondContact O-N 2.94Å
121V98.1Very high91.6Very high0 Ų038.2 Ų38.20%018%0.179CC..EExtended strand (participates in β ladder)trans-142.4132.2175.161.30000109.4G103 F106 I108 L222 H226 L227 A228G103-V121 WeakPolarHBondContact CA-O 3.42Å; F106-V121 HydrophobicContact CB-CG2 4.16Å; I108-V121 HydrophobicContact CD1-CB 3.7Å; I108-V121 HydrophobicContact CD1-CG1 4.07Å; I108-V121 HydrophobicContact CG1-CB 4.07Å; I108-V121 HydrophobicContact CG1-CG1 3.87Å; I108-V121 HydrophobicContact CG2-CB 4.46Å; I108-V121 HydrophobicContact CG2-CG1 4.37Å; V121-L222 HydrophobicContact CG2-CD1 3.99Å; V121-H226 HydrophobicContact CG2-CB 4.3Å; V121-L227 CarbonylContact C-O 3.57Å; V121-L227 VanDerWaalsContact CA-O 3.28Å; V121-L227 WeakPolarHBondContact CA-O 3.41Å; V121-A228 HydrophobicContact CB-CB 4.24Å; V121-A228 HydrophobicContact CG2-CB 4.22Å
122M97.1Very high91.3Very high40 Ų4039.7 Ų39.720%0.19719%0.189CC..EExtended strand (participates in β ladder)trans-139.2138.2178.5-68.2-61.7-69.900110.8Y166 C170 H226 L227M122-Y166 HydrophobicContact CB-CD1 3.72Å; M122-Y166 HydrophobicContact CB-CE1 4.04Å; M122-Y166 HydrophobicContact CB-CG 4.43Å; M122-Y166 HydrophobicContact CE-CD1 4.48Å; M122-Y166 HydrophobicContact CE-CE1 3.8Å; M122-Y166 HydrophobicContact CG-CD1 4.13Å; M122-Y166 HydrophobicContact CG-CE1 4.37Å; M122-C170 VanDerWaalsContact CG-SG 3.55Å; M122-H226 WeakPolarHBondContact O-CA 3.06Å; M122-L227 PolarHBondContact N-O 3.32Å; M122-L227 PolarHBondContact O-N 3.21Å
123P95.5Very high91.2Very high11 Ų1139.6 Ų39.67%0.07119%0.189CC..EExtended strand (participates in β ladder)trans-66.1136.8162.528.5-32.6000109.4E125P123-E125 HydrophobicContact CB-CG 4.42Å; P123-E125 HydrophobicContact CG-CG 4.26Å; P123-E125 WeakPolarHBondContact CG-OE1 3.4Å; P123-E125 PolarHBondContact O-N 3.43Å; P123-E125 VanDerWaalsContact O-N 3.13Å
124I93.8Very high91.3Very high7 Ų740.8 Ų40.84%0.03619%0.192CC..  trans-80.896.1173.7-59.8171.2000108.2M162 R163 Y166 N225 L227I124-M162 HydrophobicContact CG2-CB 4.15Å; I124-R163 HydrophobicContact CD1-CB 4.15Å; I124-R163 HydrophobicContact CD1-CG 3.87Å; I124-R163 HydrophobicContact CG2-CB 4.45Å; I124-Y166 HydrophobicContact CB-CD2 4.18Å; I124-Y166 HydrophobicContact CG1-CD2 4.13Å; I124-Y166 HydrophobicContact CG2-CD2 4.09Å; I124-N225 PolarHBondContact N-O 3.48Å; I124-N225 PolarHBondContact O-ND2 2.97Å; I124-L227 HydrophobicContact CD1-CB 4.13Å; I124-L227 HydrophobicContact CG1-CB 4.19Å
125E92.4Very high91.5Very high21 Ų2142.7 Ų42.710%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-144.6147.8-179.162.9-173.3178.200112P123 P127 M162 Y166 R283P123-E125 HydrophobicContact CB-CG 4.42Å; P123-E125 HydrophobicContact CG-CG 4.26Å; P123-E125 WeakPolarHBondContact CG-OE1 3.4Å; P123-E125 PolarHBondContact O-N 3.43Å; P123-E125 VanDerWaalsContact O-N 3.13Å; E125-P127 WeakPolarHBondContact O-CD 3.19Å; E125-M162 VanDerWaalsContact O-CE 3.23Å; E125-M162 WeakPolarHBondContact O-CE 3.4Å; E125-Y166 VanDerWaalsContact O-CE2 3.31Å; E125-Y166 WeakPolarHBondContact O-CE2 3.38Å; E125-Y166 PolarHBondContact O-OH 2.72Å; E125-R283 HydrophobicContact CG-CB 4.45Å; E125-R283 WeakPolarHBondContact OE1-CD 3.1Å; E125-R283 IonicContact OE1-CZ 3.63Å; E125-R283 IonicContact OE1-NE 3.95Å; E125-R283 IonicContact OE1-NH1 2.7Å; E125-R283 PolarHBondContact OE1-NH1 2.78Å
126L90.9Very high91.7Very high9 Ų942.8 Ų42.85%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-77.1124.4170-175.765.2000108.7Q130 V133 F136 M162 Q284 I286L126-Q130 HydrophobicContact CD1-CB 3.74Å; L126-Q130 HydrophobicContact CD1-CG 4.35Å; L126-Q130 HydrophobicContact CD2-CB 4.2Å; L126-Q130 HydrophobicContact CG-CB 3.87Å; L126-V133 HydrophobicContact CD1-CG2 4.26Å; L126-F136 HydrophobicContact CD1-CB 4.09Å; L126-F136 HydrophobicContact CD1-CD1 4.46Å; L126-F136 HydrophobicContact CD1-CG 4.43Å; L126-M162 HydrophobicContact CD1-SD 4.12Å; L126-Q284 PolarHBondContact N-O 3.14Å; L126-Q284 PolarHBondContact O-N 3.25Å; L126-I286 HydrophobicContact CB-CD1 4.07Å; L126-I286 HydrophobicContact CB-CG1 4.37Å
127P85.7Confident91.8Very high28 Ų2838.3 Ų38.318%0.18218%0.183CC..PPolyproline II helixtrans-59.2150.7179-26.636.8000112.5E125 Q130 F136E125-P127 WeakPolarHBondContact O-CD 3.19Å; P127-Q130 HydrophobicContact CB-CG 4.04Å; P127-Q130 WeakPolarHBondContact O-CB 3.33Å; P127-Q130 WeakPolarHBondContact O-CG 3.43Å; P127-Q130 PolarHBondContact O-N 2.7Å; P127-F136 HydrophobicContact CG-CD1 4.49Å; P127-F136 HydrophobicContact CG-CD2 4.13Å; P127-F136 HydrophobicContact CG-CE1 4.04Å; P127-F136 HydrophobicContact CG-CE2 3.68Å; P127-F136 HydrophobicContact CG-CZ 3.63Å
128A79.4Confident91.8Very high25 Ų2542.2 Ų42.221%0.20720%0.203CC..THydrogen-bonded Turntrans-49.3142.8175.800000112.2Q130 S282 R283A128-Q130 PolarHBondContact O-N 3.02Å; A128-Q130 VanDerWaalsContact O-N 3.14Å; A128-S282 WeakPolarHBondContact CB-OG 3.24Å; A128-R283 HydrophobicContact CB-CG 4.33Å
129F80.5Confident91.7Very high189 Ų18949.4 Ų49.483%0.82924%0.235SC*.THydrogen-bonded Turntrans64.17.2178.2-43.8-75.5000115.6
130Q84.5Confident91.5Very high45 Ų4551.7 Ų51.721%0.2125%0.246CC..  trans-80.9138167.3-58.7-53.5-53.900109.9L126 P127 A128 F136L126-Q130 HydrophobicContact CD1-CB 3.74Å; L126-Q130 HydrophobicContact CD1-CG 4.35Å; L126-Q130 HydrophobicContact CD2-CB 4.2Å; L126-Q130 HydrophobicContact CG-CB 3.87Å; P127-Q130 HydrophobicContact CB-CG 4.04Å; P127-Q130 WeakPolarHBondContact O-CB 3.33Å; P127-Q130 WeakPolarHBondContact O-CG 3.43Å; P127-Q130 PolarHBondContact O-N 2.7Å; A128-Q130 PolarHBondContact O-N 3.02Å; A128-Q130 VanDerWaalsContact O-N 3.14Å; Q130-F136 HydrophobicContact CB-CB 4.37Å; Q130-F136 HydrophobicContact CG-CB 4.06Å; Q130-F136 HydrophobicContact CG-CD2 3.97Å; Q130-F136 HydrophobicContact CG-CG 4.23Å
131R84Confident91.3Very high233 Ų23356.1 Ų56.188%0.87927%0.265SS*.SBendtrans-84.8-34.1-178-66.1-179.1-179.5179.8-0.6112.8
132S89.9Confident91Very high31 Ų3161.3 Ų61.322%0.21729%0.292CS..  trans-152161.8-177.468.70000110.1N134 D135 F136S132-N134 VanDerWaalsContact C-N 3.31Å; S132-D135 WeakPolarHBondContact OG-CB 3.47Å; S132-D135 PolarHBondContact OG-N 3.1Å; S132-D135 VanDerWaalsContact OG-N 3.08Å; S132-D135 PolarHBondContact OG-OD2 3.36Å; S132-F136 PolarHBondContact O-N 3.08Å
133V92.6Very high90.7Very high1 Ų161.1 Ų61.11%0.00629%0.292CS..Hα-helixtrans-65.4-40.3173.4175.30000110.4L126 D135 F136 V137 E158 K161 M162 I286L126-V133 HydrophobicContact CD1-CG2 4.26Å; V133-D135 PolarHBondContact O-N 3.19Å; V133-F136 PolarHBondContact O-N 3.08Å; V133-V137 HydrophobicContact CG1-CG2 3.98Å; V133-V137 VanDerWaalsContact O-CG2 3.24Å; V133-V137 WeakPolarHBondContact O-CG2 3.13Å; V133-V137 PolarHBondContact O-N 3.41Å; V133-E158 WeakPolarHBondContact CB-OE2 3.36Å; V133-E158 HydrophobicContact CG2-CB 3.81Å; V133-E158 HydrophobicContact CG2-CG 4.33Å; V133-E158 WeakPolarHBondContact CG2-OE2 3.45Å; V133-E158 PolarHBondContact N-OE2 3.35Å; V133-K161 HydrophobicContact CB-CB 4.45Å; V133-K161 HydrophobicContact CG1-CB 3.53Å; V133-K161 HydrophobicContact CG1-CD 4.35Å; V133-M162 HydrophobicContact CB-CG 4Å; V133-M162 HydrophobicContact CB-SD 4.07Å; V133-M162 HydrophobicContact CG1-CG 3.56Å; V133-M162 HydrophobicContact CG1-SD 3.45Å; V133-M162 WeakPolarHBondContact CG1-SD 3.49Å; V133-M162 HydrophobicContact CG2-CG 3.29Å; V133-M162 HydrophobicContact CG2-SD 3.85Å; V133-I286 HydrophobicContact CG2-CD1 4.03Å
134N94Very high90.6Very high59 Ų5960.6 Ų60.632%0.31629%0.289SS..Hα-helixtrans-57.3-48.4178.4-73.23.5000112.2S132 F136 V137 L138 L153 K161S132-N134 VanDerWaalsContact C-N 3.31Å; N134-F136 VanDerWaalsContact C-N 3.3Å; N134-F136 PolarHBondContact O-N 2.93Å; N134-V137 PolarHBondContact O-N 3.05Å; N134-L138 WeakPolarHBondContact O-CB 3.47Å; N134-L138 VanDerWaalsContact O-CG 3.28Å; N134-L138 WeakPolarHBondContact O-CG 3.4Å; N134-L138 PolarHBondContact O-N 3.46Å; N134-L153 HydrophobicContact CB-CD2 4.24Å; N134-K161 WeakPolarHBondContact OD1-CD 3.39Å; N134-K161 PolarHBondContact OD1-NZ 3.2Å
135D93.2Very high90.5Very high79 Ų7961 Ų6142%0.42229%0.292SS..Hα-helixtrans-61.6-41.2178.9-67.6-34.6000111.4S132 V133 L138 K139S132-D135 WeakPolarHBondContact OG-CB 3.47Å; S132-D135 PolarHBondContact OG-N 3.1Å; S132-D135 VanDerWaalsContact OG-N 3.08Å; S132-D135 PolarHBondContact OG-OD2 3.36Å; V133-D135 PolarHBondContact O-N 3.19Å; D135-L138 PolarHBondContact O-N 2.92Å; D135-K139 WeakPolarHBondContact O-CB 3.23Å; D135-K139 PolarHBondContact O-N 3.33Å
136F94.3Very high90.5Very high19 Ų1964 Ų648%0.08332%0.315CS..Hα-helixtrans-64.8-47.3178.4175.7-119.4000111.9L126 P127 Q130 S132 V133 N134 L138 K139 M140 M162 F165L126-F136 HydrophobicContact CD1-CB 4.09Å; L126-F136 HydrophobicContact CD1-CD1 4.46Å; L126-F136 HydrophobicContact CD1-CG 4.43Å; P127-F136 HydrophobicContact CG-CD1 4.49Å; P127-F136 HydrophobicContact CG-CD2 4.13Å; P127-F136 HydrophobicContact CG-CE1 4.04Å; P127-F136 HydrophobicContact CG-CE2 3.68Å; P127-F136 HydrophobicContact CG-CZ 3.63Å; Q130-F136 HydrophobicContact CB-CB 4.37Å; Q130-F136 HydrophobicContact CG-CB 4.06Å; Q130-F136 HydrophobicContact CG-CD2 3.97Å; Q130-F136 HydrophobicContact CG-CG 4.23Å; S132-F136 PolarHBondContact O-N 3.08Å; V133-F136 PolarHBondContact O-N 3.08Å; N134-F136 VanDerWaalsContact C-N 3.3Å; N134-F136 PolarHBondContact O-N 2.93Å; F136-L138 PolarHBondContact O-N 3.25Å; F136-K139 WeakPolarHBondContact O-CB 3.32Å; F136-K139 PolarHBondContact O-N 3.45Å; F136-M140 HydrophobicContact CD2-CG 4.26Å; F136-M140 HydrophobicContact CE2-CG 3.78Å; F136-M140 HydrophobicContact CZ-CG 4.13Å; F136-M140 WeakPolarHBondContact O-CG 3.42Å; F136-M140 PolarHBondContact O-N 2.88Å; F136-M162 HydrophobicContact CD1-CE 3.99Å; F136-M162 HydrophobicContact CD1-SD 3.81Å; F136-M162 HydrophobicContact CE1-CE 3.89Å; F136-M162 HydrophobicContact CE1-SD 4.28Å; F136-F165 HydrophobicContact CD1-CE2 4.43Å; F136-F165 HydrophobicContact CD1-CZ 4.38Å; F136-F165 AromaticContact CE1-CD1 3.84Å; F136-F165 HydrophobicContact CE1-CD1 3.84Å; F136-F165 HydrophobicContact CE1-CD2 4.29Å; F136-F165 AromaticContact CE1-CE1 3.4Å; F136-F165 HydrophobicContact CE1-CE1 3.4Å; F136-F165 AromaticContact CE1-CE2 3.83Å; F136-F165 HydrophobicContact CE1-CE2 3.83Å; F136-F165 HydrophobicContact CE1-CG 4.28Å; F136-F165 AromaticContact CE1-CZ 3.38Å; F136-F165 HydrophobicContact CE1-CZ 3.38Å; F136-F165 AromaticContact CZ-CE1 3.77Å; F136-F165 HydrophobicContact CZ-CE1 3.77Å; F136-F165 HydrophobicContact CZ-CE2 4.22Å; F136-F165 AromaticContact CZ-CZ 3.52Å; F136-F165 HydrophobicContact CZ-CZ 3.52Å
137V94.9Very high90.6Very high0 Ų067.1 Ų67.10%034%0.335CS..Hα-helixtrans-61-44.7177173.10000110.7V133 N134 K139 M140 K141 V149 I152 L153 F165V133-V137 HydrophobicContact CG1-CG2 3.98Å; V133-V137 VanDerWaalsContact O-CG2 3.24Å; V133-V137 WeakPolarHBondContact O-CG2 3.13Å; V133-V137 PolarHBondContact O-N 3.41Å; N134-V137 PolarHBondContact O-N 3.05Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 2.9Å; V137-M140 CarbonylContact O-C 3.59Å; V137-M140 PolarHBondContact O-N 2.74Å; V137-M140 VanDerWaalsContact O-N 3.1Å; V137-K141 PolarHBondContact O-N 3.45Å; V137-V149 HydrophobicContact CG1-CG1 4.49Å; V137-I152 HydrophobicContact CB-CG2 4.4Å; V137-I152 HydrophobicContact CG1-CB 4.37Å; V137-I152 HydrophobicContact CG1-CG2 3.84Å; V137-I152 HydrophobicContact CG2-CG2 3.63Å; V137-L153 HydrophobicContact CB-CD2 3.87Å; V137-L153 HydrophobicContact CG1-CD2 3.74Å; V137-L153 HydrophobicContact CG1-CG 3.97Å; V137-L153 HydrophobicContact CG2-CD2 4.44Å; V137-F165 HydrophobicContact CG2-CB 4.36Å; V137-F165 HydrophobicContact CG2-CD2 3.92Å; V137-F165 HydrophobicContact CG2-CG 4.45Å
138L94.7Very high90.9Very high83 Ų8365.8 Ų65.844%0.43533%0.326SS..Hα-helixtrans-65.3-32.3178.4-73173.9000113N134 D135 F136 M140 K141 L153N134-L138 WeakPolarHBondContact O-CB 3.47Å; N134-L138 VanDerWaalsContact O-CG 3.28Å; N134-L138 WeakPolarHBondContact O-CG 3.4Å; N134-L138 PolarHBondContact O-N 3.46Å; D135-L138 PolarHBondContact O-N 2.92Å; F136-L138 PolarHBondContact O-N 3.25Å; L138-M140 VanDerWaalsContact C-N 3.29Å; L138-K141 VanDerWaalsContact O-CD 3.31Å; L138-K141 WeakPolarHBondContact O-CD 3.49Å; L138-K141 WeakPolarHBondContact O-CG 3.44Å; L138-L153 HydrophobicContact CD2-CD1 3.9Å; L138-L153 HydrophobicContact CG-CD1 4.34Å
139K94.5Very high91.7Very high150 Ų15065.2 Ų65.265%0.65232%0.32SS*.Hα-helixtrans-67.6-30.7173.3-175.7177.8177.6-178.60112.4D135 F136 V137D135-K139 WeakPolarHBondContact O-CB 3.23Å; D135-K139 PolarHBondContact O-N 3.33Å; F136-K139 WeakPolarHBondContact O-CB 3.32Å; F136-K139 PolarHBondContact O-N 3.45Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 2.9Å
140M93.7Very high92.4Very high48 Ų4861.2 Ų61.224%0.23631%0.307CS..THydrogen-bonded Turntrans-99.35.3-177.5-62.4-62.8-78.900113.4F136 V137 L138 D142 I143 F144 F165 W169F136-M140 HydrophobicContact CD2-CG 4.26Å; F136-M140 HydrophobicContact CE2-CG 3.78Å; F136-M140 HydrophobicContact CZ-CG 4.13Å; F136-M140 WeakPolarHBondContact O-CG 3.42Å; F136-M140 PolarHBondContact O-N 2.88Å; V137-M140 CarbonylContact O-C 3.59Å; V137-M140 PolarHBondContact O-N 2.74Å; V137-M140 VanDerWaalsContact O-N 3.1Å; L138-M140 VanDerWaalsContact C-N 3.29Å; M140-D142 PolarHBondContact O-N 2.68Å; M140-I143 HydrophobicContact CB-CD1 4.29Å; M140-I143 HydrophobicContact CE-CD1 3.29Å; M140-I143 WeakPolarHBondContact O-CB 3.41Å; M140-I143 PolarHBondContact O-N 3.44Å; M140-I143 VanDerWaalsContact O-N 3.08Å; M140-I143 HydrophobicContact SD-CD1 4.15Å; M140-F144 HydrophobicContact CB-CE2 4.22Å; M140-F144 WeakPolarHBondContact O-CD2 3.38Å; M140-F165 HydrophobicContact CB-CE2 3.95Å; M140-F165 HydrophobicContact CB-CZ 4.39Å; M140-F165 HydrophobicContact CG-CE2 4.32Å; M140-F165 HydrophobicContact CG-CZ 4.36Å; M140-W169 HydrophobicContact CE-CZ3 3.86Å
141K92.9Very high92.7Very high101 Ų10161 Ų6144%0.43931%0.305SS..G310 helixtrans-57.2-23.2-171.470.4-176.61761760115.3V137 L138 I143 F144 V149V137-K141 PolarHBondContact O-N 3.45Å; L138-K141 VanDerWaalsContact O-CD 3.31Å; L138-K141 WeakPolarHBondContact O-CD 3.49Å; L138-K141 WeakPolarHBondContact O-CG 3.44Å; K141-I143 PolarHBondContact O-N 3.48Å; K141-F144 PolarHBondContact O-N 3.19Å; K141-V149 HydrophobicContact CB-CG2 4.02Å
142D92.3Very high93.2Very high108 Ų10850 Ų5058%0.57826%0.263SS*.G310 helixtrans-78.8-5.4-178.7-70.1-43.9000114.1M140 K188M140-D142 PolarHBondContact O-N 2.68Å; D142-K188 IonicContact OD1-NZ 3.76Å; D142-K188 PolarHBondContact OD1-NZ 2.85Å
143I91.7Very high93.5Very high37 Ų3750.7 Ų50.719%0.1926%0.264CS..G310 helixtrans-85.4-24.5170-68.1149000111.5M140 K141 W169 K172 L187 K188M140-I143 HydrophobicContact CB-CD1 4.29Å; M140-I143 HydrophobicContact CE-CD1 3.29Å; M140-I143 WeakPolarHBondContact O-CB 3.41Å; M140-I143 PolarHBondContact O-N 3.44Å; M140-I143 VanDerWaalsContact O-N 3.08Å; M140-I143 HydrophobicContact SD-CD1 4.15Å; K141-I143 PolarHBondContact O-N 3.48Å; I143-W169 HydrophobicContact CD1-CZ3 3.96Å; I143-K172 HydrophobicContact CG2-CD 4.07Å; I143-K172 VanDerWaalsContact O-CE 3.29Å; I143-K172 WeakPolarHBondContact O-CE 3.34Å; I143-K172 PolarHBondContact O-NZ 3.28Å; I143-L187 HydrophobicContact CG2-CB 4.15Å; I143-L187 HydrophobicContact CG2-CD1 3.88Å; I143-L187 CarbonylContact O-C 3.57Å; I143-L187 WeakPolarHBondContact O-CB 3.31Å; I143-K188 PolarHBondContact O-N 3.39Å
144F92.2Very high93.5Very high0 Ų055.2 Ų55.20%030%0.296CS..SBendtrans-113.1150.6-169.5-57.2-75.8000111.6M140 K141 E148 V149 F165 H168 W169 K172 K188M140-F144 HydrophobicContact CB-CE2 4.22Å; M140-F144 WeakPolarHBondContact O-CD2 3.38Å; K141-F144 PolarHBondContact O-N 3.19Å; F144-E148 WeakPolarHBondContact CA-OE2 3.26Å; F144-E148 HydrophobicContact CB-CB 4.02Å; F144-V149 HydrophobicContact CB-CG2 3.75Å; F144-F165 AromaticContact CE2-CD2 3.96Å; F144-F165 HydrophobicContact CE2-CD2 3.96Å; F144-F165 AromaticContact CE2-CE2 3.45Å; F144-F165 HydrophobicContact CE2-CE2 3.45Å; F144-F165 VanDerWaalsContact CE2-CE2 3.45Å; F144-F165 HydrophobicContact CE2-CZ 4.17Å; F144-F165 HydrophobicContact CZ-CD2 4.07Å; F144-F165 AromaticContact CZ-CE2 3.72Å; F144-F165 HydrophobicContact CZ-CE2 3.72Å; F144-F165 HydrophobicContact CZ-CZ 4.15Å; F144-H168 HydrophobicContact CD1-CB 3.84Å; F144-H168 HydrophobicContact CE1-CB 3.61Å; F144-W169 HydrophobicContact CZ-CB 4.27Å; F144-W169 HydrophobicContact CZ-CE3 4.27Å; F144-K172 HydrophobicContact CD1-CD 4.19Å; F144-K172 HydrophobicContact CE1-CD 4.24Å; F144-K188 WeakPolarHBondContact O-CG 3.46Å
145S91.8Very high93.3Very high14 Ų1453.4 Ų53.410%0.09829%0.288CS..  trans-64.7157.3171.591.10000110.2T147 E148 V149 E191S145-T147 PolarHBondContact O-N 3.32Å; S145-T147 PolarHBondContact OG-N 2.96Å; S145-E148 PolarHBondContact N-OE2 2.85Å; S145-E148 PolarHBondContact O-N 2.78Å; S145-E148 VanDerWaalsContact O-N 3.13Å; S145-E148 WeakPolarHBondContact OG-CG 3.33Å; S145-E148 PolarHBondContact OG-N 3.05Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 2.66Å; S145-E191 PolarHBondContact OG-OE2 3.28Å
146S92.7Very high93.1Very high84 Ų8452.4 Ų52.459%0.58730%0.296SS*.Hα-helixtrans-58.6-35175.2-56.90000112N150S146-N150 WeakPolarHBondContact O-CB 3.2Å; S146-N150 PolarHBondContact O-N 2.87Å; S146-N150 PolarHBondContact O-ND2 2.82Å
147T92.2Very high93Very high75 Ų7553.8 Ų53.846%0.4631%0.308SS..Hα-helixtrans-65.3-44.3175.4-44.30000111.3S145 N150 R151 E191S145-T147 PolarHBondContact O-N 3.32Å; S145-T147 PolarHBondContact OG-N 2.96Å; T147-N150 PolarHBondContact O-N 2.92Å; T147-R151 VanDerWaalsContact O-CB 3.31Å; T147-R151 WeakPolarHBondContact O-CB 3.05Å; T147-R151 PolarHBondContact O-N 3.33Å; T147-E191 VanDerWaalsContact CB-OE2 3.29Å; T147-E191 WeakPolarHBondContact CB-OE2 3.19Å; T147-E191 WeakPolarHBondContact CG2-OE1 3.31Å; T147-E191 PolarHBondContact OG1-OE2 2.74Å
148E93.2Very high92.8Very high0 Ų057.3 Ų57.30%033%0.325CS..Hα-helixtrans-62.8-46.8175.9-68.3175.9140.400111.6F144 S145 N150 R151 I152 H168 K172 E191F144-E148 WeakPolarHBondContact CA-OE2 3.26Å; F144-E148 HydrophobicContact CB-CB 4.02Å; S145-E148 PolarHBondContact N-OE2 2.85Å; S145-E148 PolarHBondContact O-N 2.78Å; S145-E148 VanDerWaalsContact O-N 3.13Å; S145-E148 WeakPolarHBondContact OG-CG 3.33Å; S145-E148 PolarHBondContact OG-N 3.05Å; E148-N150 VanDerWaalsContact C-N 3.35Å; E148-N150 PolarHBondContact O-N 2.82Å; E148-R151 PolarHBondContact O-N 2.83Å; E148-I152 WeakPolarHBondContact O-CD1 3.41Å; E148-I152 VanDerWaalsContact O-CG1 3.23Å; E148-I152 WeakPolarHBondContact O-CG1 3.34Å; E148-I152 PolarHBondContact O-N 2.86Å; E148-H168 IonicContact OE1-CE1 3.87Å; E148-H168 IonicContact OE1-ND1 3.81Å; E148-H168 PolarHBondContact OE1-ND1 2.74Å; E148-K172 IonicContact OE1-NZ 3.66Å; E148-K172 PolarHBondContact OE1-NZ 3.16Å; E148-K172 WeakPolarHBondContact OE2-CE 2.93Å; E148-K172 IonicContact OE2-NZ 2.68Å; E148-K172 PolarHBondContact OE2-NZ 2.93Å; E148-E191 HydrophobicContact CG-CG 3.93Å
149V95Very high92.7Very high14 Ų1453.9 Ų53.99%0.08531%0.309CS..Hα-helixtrans-58.8-47.2177174.50000110.8V137 K141 F144 S145 R151 I152 L153V137-V149 HydrophobicContact CG1-CG1 4.49Å; K141-V149 HydrophobicContact CB-CG2 4.02Å; F144-V149 HydrophobicContact CB-CG2 3.75Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 2.66Å; V149-R151 PolarHBondContact O-N 2.93Å; V149-I152 PolarHBondContact O-N 2.93Å; V149-L153 HydrophobicContact CG1-CD1 3.77Å; V149-L153 HydrophobicContact CG1-CG 4.34Å; V149-L153 WeakPolarHBondContact O-CB 3.37Å; V149-L153 WeakPolarHBondContact O-CG 3.36Å; V149-L153 PolarHBondContact O-N 3.48Å
150N95.1Very high92.6Very high105 Ų10551.8 Ų51.856%0.56130%0.301SS*.Hα-helixtrans-61.2-45.3178.1-73.3-22.3000111.5S146 T147 E148 I152 L153 S154S146-N150 WeakPolarHBondContact O-CB 3.2Å; S146-N150 PolarHBondContact O-N 2.87Å; S146-N150 PolarHBondContact O-ND2 2.82Å; T147-N150 PolarHBondContact O-N 2.92Å; E148-N150 VanDerWaalsContact C-N 3.35Å; E148-N150 PolarHBondContact O-N 2.82Å; N150-I152 VanDerWaalsContact C-N 3.34Å; N150-I152 PolarHBondContact O-N 2.88Å; N150-L153 PolarHBondContact O-N 3.45Å; N150-S154 VanDerWaalsContact O-CB 3.24Å; N150-S154 WeakPolarHBondContact O-CB 3.07Å; N150-S154 PolarHBondContact O-N 2.97Å; N150-S154 PolarHBondContact O-OG 3.04Å
151R92.2Very high92.6Very high41 Ų4150.5 Ų50.516%0.15529%0.294CS..Hα-helixtrans-60-43.3178-171.2-174.3-61.2111.6-3.3112T147 E148 V149 S154 S155 H168 E191T147-R151 VanDerWaalsContact O-CB 3.31Å; T147-R151 WeakPolarHBondContact O-CB 3.05Å; T147-R151 PolarHBondContact O-N 3.33Å; E148-R151 PolarHBondContact O-N 2.83Å; V149-R151 PolarHBondContact O-N 2.93Å; R151-S154 PolarHBondContact O-OG 2.69Å; R151-S155 PolarHBondContact O-N 2.8Å; R151-S155 PolarHBondContact O-OG 2.97Å; R151-H168 PolarHBondContact NH1-CE1 2.91Å; R151-H168 VanDerWaalsContact NH1-CE1 3.29Å; R151-E191 IonicContact CZ-OE1 2.66Å; R151-E191 IonicContact NH1-OE1 2.74Å; R151-E191 IonicContact NH2-OE1 2.97Å; R151-E191 PolarHBondContact NH2-OE1 2.82Å
152I94Very high92.7Very high0 Ų045.7 Ų45.70%027%0.273CS..Hα-helixtrans-62.8-52.2176.2-67.2161.6000109.7V137 E148 V149 N150 S154 S155 K161 K164 F165 H168V137-I152 HydrophobicContact CB-CG2 4.4Å; V137-I152 HydrophobicContact CG1-CB 4.37Å; V137-I152 HydrophobicContact CG1-CG2 3.84Å; V137-I152 HydrophobicContact CG2-CG2 3.63Å; E148-I152 WeakPolarHBondContact O-CD1 3.41Å; E148-I152 VanDerWaalsContact O-CG1 3.23Å; E148-I152 WeakPolarHBondContact O-CG1 3.34Å; E148-I152 PolarHBondContact O-N 2.86Å; V149-I152 PolarHBondContact O-N 2.93Å; N150-I152 VanDerWaalsContact C-N 3.34Å; N150-I152 PolarHBondContact O-N 2.88Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 3.36Å; I152-S155 WeakPolarHBondContact O-CB 3.18Å; I152-S155 PolarHBondContact O-N 3.39Å; I152-S155 PolarHBondContact O-OG 3.41Å; I152-K161 WeakPolarHBondContact O-CG 3.05Å; I152-K164 HydrophobicContact CG1-CB 4.17Å; I152-F165 HydrophobicContact CG2-CB 4.16Å; I152-H168 HydrophobicContact CD1-CB 4.4Å
153L95.5Very high92.7Very high46 Ų4643.2 Ų43.224%0.24126%0.256CS..Hα-helixtrans-70.9-25.7-174.8-67.2177.7000113.8N134 V137 L138 V149 N150 S155N134-L153 HydrophobicContact CB-CD2 4.24Å; V137-L153 HydrophobicContact CB-CD2 3.87Å; V137-L153 HydrophobicContact CG1-CD2 3.74Å; V137-L153 HydrophobicContact CG1-CG 3.97Å; V137-L153 HydrophobicContact CG2-CD2 4.44Å; L138-L153 HydrophobicContact CD2-CD1 3.9Å; L138-L153 HydrophobicContact CG-CD1 4.34Å; V149-L153 HydrophobicContact CG1-CD1 3.77Å; V149-L153 HydrophobicContact CG1-CG 4.34Å; V149-L153 WeakPolarHBondContact O-CB 3.37Å; V149-L153 WeakPolarHBondContact O-CG 3.36Å; V149-L153 PolarHBondContact O-N 3.48Å; N150-L153 PolarHBondContact O-N 3.45Å; L153-S155 VanDerWaalsContact C-N 3.32Å
154S94.2Very high92.8Very high97 Ų9742.9 Ų42.968%0.67825%0.253SS*.THydrogen-bonded Turntrans-85.4-2.317672.40000113.8N150 R151 I152N150-S154 VanDerWaalsContact O-CB 3.24Å; N150-S154 WeakPolarHBondContact O-CB 3.07Å; N150-S154 PolarHBondContact O-N 2.97Å; N150-S154 PolarHBondContact O-OG 3.04Å; R151-S154 PolarHBondContact O-OG 2.69Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 3.36Å
155S89.4Confident92.9Very high21 Ų2143 Ų4315%0.14725%0.254CS..SBendtrans-67.8156.3172.9-59.90000110.3R151 I152 L153 K161R151-S155 PolarHBondContact O-N 2.8Å; R151-S155 PolarHBondContact O-OG 2.97Å; I152-S155 WeakPolarHBondContact O-CB 3.18Å; I152-S155 PolarHBondContact O-N 3.39Å; I152-S155 PolarHBondContact O-OG 3.41Å; L153-S155 VanDerWaalsContact C-N 3.32Å; S155-K161 VanDerWaalsContact O-CE 3.24Å; S155-K161 WeakPolarHBondContact O-CE 3.48Å
156G88Confident93Very high58 Ų5842.7 Ų42.760%0.59825%0.25SS*.SBendtrans-65.7-94.4-16900000113.9E160G156-E160 WeakPolarHBondContact CA-OE2 3.36Å; G156-E160 PolarHBondContact N-OE2 2.67Å
157S92.4Very high93.1Very high48 Ų4839 Ų3934%0.33622%0.224SC..SBendtrans-71160.6-177.373.80000112.4A159 E160 K161S157-A159 PolarHBondContact O-N 2.91Å; S157-A159 PolarHBondContact OG-N 3.14Å; S157-E160 PolarHBondContact N-OE2 3.08Å; S157-E160 PolarHBondContact O-N 3.37Å; S157-E160 VanDerWaalsContact O-N 3.08Å; S157-E160 WeakPolarHBondContact OG-CG 3.31Å; S157-E160 PolarHBondContact OG-N 2.94Å; S157-E160 VanDerWaalsContact OG-N 3.14Å; S157-K161 WeakPolarHBondContact O-CG 3.44Å; S157-K161 PolarHBondContact O-N 2.8Å
158E91.8Very high93.1Very high73 Ų7335.8 Ų35.834%0.34120%0.203SC..Hα-helixtrans-56.9-31.9172.4-67.3-68104.600111.6V133 K161 M162V133-E158 WeakPolarHBondContact CB-OE2 3.36Å; V133-E158 HydrophobicContact CG2-CB 3.81Å; V133-E158 HydrophobicContact CG2-CG 4.33Å; V133-E158 WeakPolarHBondContact CG2-OE2 3.45Å; V133-E158 PolarHBondContact N-OE2 3.35Å; E158-K161 IonicContact OE1-NZ 2.81Å; E158-K161 PolarHBondContact OE1-NZ 3.39Å; E158-M162 PolarHBondContact O-N 2.64Å
159A90.9Very high93.2Very high12 Ų1238.5 Ų38.510%0.09921%0.214CC..Hα-helixtrans-64.4-47174.100000112.1S157 M162 R163 I286S157-A159 PolarHBondContact O-N 2.91Å; S157-A159 PolarHBondContact OG-N 3.14Å; A159-M162 PolarHBondContact O-N 2.91Å; A159-R163 VanDerWaalsContact O-CB 3.32Å; A159-R163 WeakPolarHBondContact O-CB 3.38Å; A159-R163 PolarHBondContact O-N 2.97Å; A159-I286 HydrophobicContact CB-CG2 3.45Å; A159-I286 VanDerWaalsContact CB-CG2 3.45Å
160E92.6Very high93.2Very high105 Ų10537.9 Ų37.949%0.49121%0.21SC..Hα-helixtrans-63.6-42.1177.3-70.6175.213300111.5G156 S157 R163 K164G156-E160 WeakPolarHBondContact CA-OE2 3.36Å; G156-E160 PolarHBondContact N-OE2 2.67Å; S157-E160 PolarHBondContact N-OE2 3.08Å; S157-E160 PolarHBondContact O-N 3.37Å; S157-E160 VanDerWaalsContact O-N 3.08Å; S157-E160 WeakPolarHBondContact OG-CG 3.31Å; S157-E160 PolarHBondContact OG-N 2.94Å; S157-E160 VanDerWaalsContact OG-N 3.14Å; E160-R163 PolarHBondContact O-N 3.48Å; E160-K164 WeakPolarHBondContact O-CB 3.2Å; E160-K164 VanDerWaalsContact O-CG 3.32Å; E160-K164 WeakPolarHBondContact O-CG 3.45Å; E160-K164 PolarHBondContact O-N 2.66Å
161K94.5Very high93.2Very high22 Ų2232.9 Ų32.910%0.09618%0.183CC..Hα-helixtrans-60.8-46.5175.4-64.7179.5-172.21680111.9V133 N134 I152 S155 S157 E158 R163 K164 F165V133-K161 HydrophobicContact CB-CB 4.45Å; V133-K161 HydrophobicContact CG1-CB 3.53Å; V133-K161 HydrophobicContact CG1-CD 4.35Å; N134-K161 WeakPolarHBondContact OD1-CD 3.39Å; N134-K161 PolarHBondContact OD1-NZ 3.2Å; I152-K161 WeakPolarHBondContact O-CG 3.05Å; S155-K161 VanDerWaalsContact O-CE 3.24Å; S155-K161 WeakPolarHBondContact O-CE 3.48Å; S157-K161 WeakPolarHBondContact O-CG 3.44Å; S157-K161 PolarHBondContact O-N 2.8Å; E158-K161 IonicContact OE1-NZ 2.81Å; E158-K161 PolarHBondContact OE1-NZ 3.39Å; K161-R163 VanDerWaalsContact C-N 3.34Å; K161-K164 PolarHBondContact O-N 3.07Å; K161-F165 WeakPolarHBondContact O-CB 3.19Å; K161-F165 PolarHBondContact O-N 3.32Å
162M94.5Very high93.2Very high0 Ų031 Ų310%018%0.176CC..Hα-helixtrans-66.9-37.9177.8-80.6-57.5-55.400112.6I124 E125 L126 V133 F136 E158 A159 F165 Y166 I286I124-M162 HydrophobicContact CG2-CB 4.15Å; E125-M162 VanDerWaalsContact O-CE 3.23Å; E125-M162 WeakPolarHBondContact O-CE 3.4Å; L126-M162 HydrophobicContact CD1-SD 4.12Å; V133-M162 HydrophobicContact CB-CG 4Å; V133-M162 HydrophobicContact CB-SD 4.07Å; V133-M162 HydrophobicContact CG1-CG 3.56Å; V133-M162 HydrophobicContact CG1-SD 3.45Å; V133-M162 WeakPolarHBondContact CG1-SD 3.49Å; V133-M162 HydrophobicContact CG2-CG 3.29Å; V133-M162 HydrophobicContact CG2-SD 3.85Å; F136-M162 HydrophobicContact CD1-CE 3.99Å; F136-M162 HydrophobicContact CD1-SD 3.81Å; F136-M162 HydrophobicContact CE1-CE 3.89Å; F136-M162 HydrophobicContact CE1-SD 4.28Å; E158-M162 PolarHBondContact O-N 2.64Å; A159-M162 PolarHBondContact O-N 2.91Å; M162-F165 HydrophobicContact CE-CD1 4.21Å; M162-F165 WeakPolarHBondContact O-CB 3.37Å; M162-F165 PolarHBondContact O-N 2.79Å; M162-Y166 HydrophobicContact CE-CD2 3.86Å; M162-Y166 HydrophobicContact CE-CE2 3.22Å; M162-Y166 VanDerWaalsContact O-CD2 3.27Å; M162-Y166 WeakPolarHBondContact O-CD2 3.44Å; M162-Y166 PolarHBondContact O-N 3.02Å; M162-I286 HydrophobicContact CB-CD1 3.77Å; M162-I286 HydrophobicContact CG-CD1 3.31Å
163R93.3Very high93.2Very high55 Ų5532.8 Ų32.821%0.20819%0.185CC..Hα-helixtrans-60.2-48.1173.7-179.7166.1-179.193.614.2110.9I124 A159 E160 K161 F165 Y166 E167 N221I124-R163 HydrophobicContact CD1-CB 4.15Å; I124-R163 HydrophobicContact CD1-CG 3.87Å; I124-R163 HydrophobicContact CG2-CB 4.45Å; A159-R163 VanDerWaalsContact O-CB 3.32Å; A159-R163 WeakPolarHBondContact O-CB 3.38Å; A159-R163 PolarHBondContact O-N 2.97Å; E160-R163 PolarHBondContact O-N 3.48Å; K161-R163 VanDerWaalsContact C-N 3.34Å; R163-F165 VanDerWaalsContact C-N 3.34Å; R163-F165 PolarHBondContact O-N 3.26Å; R163-Y166 PolarHBondContact O-N 3.41Å; R163-E167 IonicContact NE-OE1 3.92Å; R163-E167 WeakPolarHBondContact O-CG 3.31Å; R163-E167 PolarHBondContact O-N 3.47Å; R163-N221 VanDerWaalsContact CZ-OD1 3.24Å; R163-N221 PolarHBondContact NH1-OD1 3.26Å; R163-N221 PolarHBondContact NH2-ND2 3.13Å; R163-N221 PolarHBondContact NH2-OD1 2.88Å
164K92.8Very high93.2Very high31 Ų3130.6 Ų30.614%0.13517%0.173CC..Hα-helixtrans-62.1-39.5176.4-73.6-76.2179.4-168.50112.5I152 E160 K161 E167 H168 D196I152-K164 HydrophobicContact CG1-CB 4.17Å; E160-K164 WeakPolarHBondContact O-CB 3.2Å; E160-K164 VanDerWaalsContact O-CG 3.32Å; E160-K164 WeakPolarHBondContact O-CG 3.45Å; E160-K164 PolarHBondContact O-N 2.66Å; K161-K164 PolarHBondContact O-N 3.07Å; K164-E167 WeakPolarHBondContact CD-OE2 3.23Å; K164-E167 IonicContact NZ-OE2 3.28Å; K164-E167 PolarHBondContact NZ-OE2 3.3Å; K164-E167 PolarHBondContact O-N 3.48Å; K164-H168 PolarHBondContact O-CD2 3.43Å; K164-H168 PolarHBondContact O-N 3.47Å; K164-H168 VanDerWaalsContact O-N 3.08Å; K164-D196 IonicContact NZ-OD1 2.69Å; K164-D196 PolarHBondContact NZ-OD1 2.97Å
165F94.8Very high93.1Very high3 Ų326.4 Ų26.41%0.01314%0.142CC..Hα-helixtrans-55.7-51.9172172.3-87.2000111.5F136 V137 M140 F144 I152 K161 M162 R163 E167 H168 W169F136-F165 HydrophobicContact CD1-CE2 4.43Å; F136-F165 HydrophobicContact CD1-CZ 4.38Å; F136-F165 AromaticContact CE1-CD1 3.84Å; F136-F165 HydrophobicContact CE1-CD1 3.84Å; F136-F165 HydrophobicContact CE1-CD2 4.29Å; F136-F165 AromaticContact CE1-CE1 3.4Å; F136-F165 HydrophobicContact CE1-CE1 3.4Å; F136-F165 AromaticContact CE1-CE2 3.83Å; F136-F165 HydrophobicContact CE1-CE2 3.83Å; F136-F165 HydrophobicContact CE1-CG 4.28Å; F136-F165 AromaticContact CE1-CZ 3.38Å; F136-F165 HydrophobicContact CE1-CZ 3.38Å; F136-F165 AromaticContact CZ-CE1 3.77Å; F136-F165 HydrophobicContact CZ-CE1 3.77Å; F136-F165 HydrophobicContact CZ-CE2 4.22Å; F136-F165 AromaticContact CZ-CZ 3.52Å; F136-F165 HydrophobicContact CZ-CZ 3.52Å; V137-F165 HydrophobicContact CG2-CB 4.36Å; V137-F165 HydrophobicContact CG2-CD2 3.92Å; V137-F165 HydrophobicContact CG2-CG 4.45Å; M140-F165 HydrophobicContact CB-CE2 3.95Å; M140-F165 HydrophobicContact CB-CZ 4.39Å; M140-F165 HydrophobicContact CG-CE2 4.32Å; M140-F165 HydrophobicContact CG-CZ 4.36Å; F144-F165 AromaticContact CE2-CD2 3.96Å; F144-F165 HydrophobicContact CE2-CD2 3.96Å; F144-F165 AromaticContact CE2-CE2 3.45Å; F144-F165 HydrophobicContact CE2-CE2 3.45Å; F144-F165 VanDerWaalsContact CE2-CE2 3.45Å; F144-F165 HydrophobicContact CE2-CZ 4.17Å; F144-F165 HydrophobicContact CZ-CD2 4.07Å; F144-F165 AromaticContact CZ-CE2 3.72Å; F144-F165 HydrophobicContact CZ-CE2 3.72Å; F144-F165 HydrophobicContact CZ-CZ 4.15Å; I152-F165 HydrophobicContact CG2-CB 4.16Å; K161-F165 WeakPolarHBondContact O-CB 3.19Å; K161-F165 PolarHBondContact O-N 3.32Å; M162-F165 HydrophobicContact CE-CD1 4.21Å; M162-F165 WeakPolarHBondContact O-CB 3.37Å; M162-F165 PolarHBondContact O-N 2.79Å; R163-F165 VanDerWaalsContact C-N 3.34Å; R163-F165 PolarHBondContact O-N 3.26Å; F165-E167 VanDerWaalsContact C-N 3.35Å; F165-E167 PolarHBondContact O-N 2.97Å; F165-H168 PolarHBondContact O-N 3.03Å; F165-W169 HydrophobicContact CE1-CB 4.37Å; F165-W169 HydrophobicContact CZ-CE3 4.44Å; F165-W169 WeakPolarHBondContact O-CB 3.22Å; F165-W169 PolarHBondContact O-N 3.25Å
166Y95Very high93.2Very high7 Ų725.9 Ų25.93%0.02714%0.138CC..Hα-helixtrans-70.1-29.8-179.8-76.1-65.5000112.9M122 I124 E125 M162 R163 W169 C170M122-Y166 HydrophobicContact CB-CD1 3.72Å; M122-Y166 HydrophobicContact CB-CE1 4.04Å; M122-Y166 HydrophobicContact CB-CG 4.43Å; M122-Y166 HydrophobicContact CE-CD1 4.48Å; M122-Y166 HydrophobicContact CE-CE1 3.8Å; M122-Y166 HydrophobicContact CG-CD1 4.13Å; M122-Y166 HydrophobicContact CG-CE1 4.37Å; I124-Y166 HydrophobicContact CB-CD2 4.18Å; I124-Y166 HydrophobicContact CG1-CD2 4.13Å; I124-Y166 HydrophobicContact CG2-CD2 4.09Å; E125-Y166 VanDerWaalsContact O-CE2 3.31Å; E125-Y166 WeakPolarHBondContact O-CE2 3.38Å; E125-Y166 PolarHBondContact O-OH 2.72Å; M162-Y166 HydrophobicContact CE-CD2 3.86Å; M162-Y166 HydrophobicContact CE-CE2 3.22Å; M162-Y166 VanDerWaalsContact O-CD2 3.27Å; M162-Y166 WeakPolarHBondContact O-CD2 3.44Å; M162-Y166 PolarHBondContact O-N 3.02Å; R163-Y166 PolarHBondContact O-N 3.41Å; Y166-W169 PolarHBondContact O-N 3.41Å; Y166-C170 VanDerWaalsContact O-CB 3.26Å; Y166-C170 WeakPolarHBondContact O-CB 3.32Å; Y166-C170 PolarHBondContact O-N 3.33Å; Y166-C170 PolarHBondContact O-SG 3.3Å
167E93.5Very high93.6Very high7 Ų725.2 Ų25.23%0.03312%0.119CC..Hα-helixtrans-57.3-49.8170.1-75.3-177168.300111R163 K164 F165 F171 F194 K219 L227R163-E167 IonicContact NE-OE1 3.92Å; R163-E167 WeakPolarHBondContact O-CG 3.31Å; R163-E167 PolarHBondContact O-N 3.47Å; K164-E167 WeakPolarHBondContact CD-OE2 3.23Å; K164-E167 IonicContact NZ-OE2 3.28Å; K164-E167 PolarHBondContact NZ-OE2 3.3Å; K164-E167 PolarHBondContact O-N 3.48Å; F165-E167 VanDerWaalsContact C-N 3.35Å; F165-E167 PolarHBondContact O-N 2.97Å; E167-F171 WeakPolarHBondContact O-CB 3.45Å; E167-F171 PolarHBondContact O-N 3.21Å; E167-F171 VanDerWaalsContact O-N 3.12Å; E167-F194 HydrophobicContact CB-CD2 4.32Å; E167-F194 HydrophobicContact CB-CE2 4.49Å; E167-K219 HydrophobicContact CG-CD 4.43Å; E167-K219 IonicContact OE1-NZ 2.82Å; E167-K219 PolarHBondContact OE1-NZ 3.4Å; E167-K219 IonicContact OE2-NZ 3.58Å; E167-L227 HydrophobicContact CB-CD2 4.18Å; E167-L227 HydrophobicContact CG-CD2 3.64Å
168H93.1Very high93.6Very high6 Ų623 Ų233%0.02810%0.103CC..Hα-helixtrans-68.9-38.6177.6-74.6-69.4000112.8F144 E148 R151 I152 K164 F165 K172 C192F144-H168 HydrophobicContact CD1-CB 3.84Å; F144-H168 HydrophobicContact CE1-CB 3.61Å; E148-H168 IonicContact OE1-CE1 3.87Å; E148-H168 IonicContact OE1-ND1 3.81Å; E148-H168 PolarHBondContact OE1-ND1 2.74Å; R151-H168 PolarHBondContact NH1-CE1 2.91Å; R151-H168 VanDerWaalsContact NH1-CE1 3.29Å; I152-H168 HydrophobicContact CD1-CB 4.4Å; K164-H168 PolarHBondContact O-CD2 3.43Å; K164-H168 PolarHBondContact O-N 3.47Å; K164-H168 VanDerWaalsContact O-N 3.08Å; F165-H168 PolarHBondContact O-N 3.03Å; H168-K172 WeakPolarHBondContact O-CG 3.24Å; H168-K172 PolarHBondContact O-N 2.96Å; H168-K172 VanDerWaalsContact O-N 3.14Å; H168-C192 PolarHBondContact CE1-O 3.31Å; H168-C192 VanDerWaalsContact CE1-O 3.28Å
169W95.1Very high93.5Very high58 Ų5821.4 Ų21.422%0.2210%0.097CC..Hα-helixtrans-62.2-57.5177174.2-85.9000111.7M140 I143 F144 F165 Y166 F171 K172 E173M140-W169 HydrophobicContact CE-CZ3 3.86Å; I143-W169 HydrophobicContact CD1-CZ3 3.96Å; F144-W169 HydrophobicContact CZ-CB 4.27Å; F144-W169 HydrophobicContact CZ-CE3 4.27Å; F165-W169 HydrophobicContact CE1-CB 4.37Å; F165-W169 HydrophobicContact CZ-CE3 4.44Å; F165-W169 WeakPolarHBondContact O-CB 3.22Å; F165-W169 PolarHBondContact O-N 3.25Å; Y166-W169 PolarHBondContact O-N 3.41Å; W169-F171 PolarHBondContact O-N 3.03Å; W169-K172 PolarHBondContact O-N 2.93Å; W169-E173 HydrophobicContact CZ2-CG 4.17Å; W169-E173 PolarHBondContact O-N 2.86Å
170C95.6Very high93.3Very high0 Ų021.5 Ų21.50%010%0.099CC..Hα-helixtrans-61.8-34.6-177.4-68.70000111.3D120 M122 Y166 A174 V229D120-C170 HydrophobicContact CB-CB 4.13Å; D120-C170 PolarHBondContact OD2-SG 3.48Å; M122-C170 VanDerWaalsContact CG-SG 3.55Å; Y166-C170 VanDerWaalsContact O-CB 3.26Å; Y166-C170 WeakPolarHBondContact O-CB 3.32Å; Y166-C170 PolarHBondContact O-N 3.33Å; Y166-C170 PolarHBondContact O-SG 3.3Å; C170-A174 WeakPolarHBondContact O-CB 3.43Å; C170-A174 PolarHBondContact O-N 2.93Å; C170-V229 HydrophobicContact CB-CB 3.86Å; C170-V229 HydrophobicContact CB-CG2 3.48Å; C170-V229 VanDerWaalsContact CB-CG2 3.48Å
171F93.8Very high92.8Very high1 Ų118 Ų180%0.0049%0.086CC..Hα-helixtrans-57.5-53.3171.1157.3-99.6000112.3E167 W169 E173 A174 Y175 I190 C192 F194 L207 F217E167-F171 WeakPolarHBondContact O-CB 3.45Å; E167-F171 PolarHBondContact O-N 3.21Å; E167-F171 VanDerWaalsContact O-N 3.12Å; W169-F171 PolarHBondContact O-N 3.03Å; F171-E173 VanDerWaalsContact C-N 3.34Å; F171-E173 PolarHBondContact O-N 3.44Å; F171-A174 PolarHBondContact O-N 3.06Å; F171-Y175 WeakPolarHBondContact O-CB 3.28Å; F171-Y175 PolarHBondContact O-N 2.91Å; F171-I190 HydrophobicContact CE1-CG2 3.91Å; F171-I190 HydrophobicContact CZ-CG2 3.79Å; F171-C192 HydrophobicContact CD1-CB 3.91Å; F171-C192 HydrophobicContact CD2-CB 3.67Å; F171-C192 HydrophobicContact CE1-CB 3.45Å; F171-C192 VanDerWaalsContact CE1-CB 3.45Å; F171-C192 HydrophobicContact CE2-CB 3.14Å; F171-C192 HydrophobicContact CG-CB 4.05Å; F171-C192 HydrophobicContact CZ-CB 3.06Å; F171-F194 HydrophobicContact CB-CE2 4.05Å; F171-F194 HydrophobicContact CB-CZ 4.3Å; F171-L207 HydrophobicContact CE2-CD2 3.74Å; F171-L207 HydrophobicContact CZ-CD2 3.43Å; F171-L207 VanDerWaalsContact CZ-CD2 3.43Å; F171-F217 AromaticContact CD2-CD1 3.56Å; F171-F217 HydrophobicContact CD2-CD1 3.56Å; F171-F217 HydrophobicContact CD2-CD2 4.47Å; F171-F217 AromaticContact CD2-CE1 3.75Å; F171-F217 HydrophobicContact CD2-CE1 3.75Å; F171-F217 AromaticContact CD2-CG 3.97Å; F171-F217 HydrophobicContact CD2-CG 3.97Å; F171-F217 HydrophobicContact CD2-CZ 4.32Å; F171-F217 AromaticContact CE2-CD1 3.64Å; F171-F217 HydrophobicContact CE2-CD1 3.64Å; F171-F217 HydrophobicContact CE2-CD2 4.05Å; F171-F217 AromaticContact CE2-CE1 3.4Å; F171-F217 HydrophobicContact CE2-CE1 3.4Å; F171-F217 VanDerWaalsContact CE2-CE1 3.4Å; F171-F217 AromaticContact CE2-CE2 3.84Å; F171-F217 HydrophobicContact CE2-CE2 3.84Å; F171-F217 AromaticContact CE2-CG 3.97Å; F171-F217 HydrophobicContact CE2-CG 3.97Å; F171-F217 AromaticContact CE2-CZ 3.54Å; F171-F217 HydrophobicContact CE2-CZ 3.54Å; F171-F217 HydrophobicContact CZ-CE1 4.48Å; F171-F217 HydrophobicContact CZ-CZ 4.41Å
172K92.8Very high92Very high1 Ų118.5 Ų18.50%0.00410%0.098CC..Hα-helixtrans-63.5-41.4-178.9-72.4-179.6-165-76.80111.8I143 F144 E148 H168 W169 Y175 V176 L187 I190I143-K172 HydrophobicContact CG2-CD 4.07Å; I143-K172 VanDerWaalsContact O-CE 3.29Å; I143-K172 WeakPolarHBondContact O-CE 3.34Å; I143-K172 PolarHBondContact O-NZ 3.28Å; F144-K172 HydrophobicContact CD1-CD 4.19Å; F144-K172 HydrophobicContact CE1-CD 4.24Å; E148-K172 IonicContact OE1-NZ 3.66Å; E148-K172 PolarHBondContact OE1-NZ 3.16Å; E148-K172 WeakPolarHBondContact OE2-CE 2.93Å; E148-K172 IonicContact OE2-NZ 2.68Å; E148-K172 PolarHBondContact OE2-NZ 2.93Å; H168-K172 WeakPolarHBondContact O-CG 3.24Å; H168-K172 PolarHBondContact O-N 2.96Å; H168-K172 VanDerWaalsContact O-N 3.14Å; W169-K172 PolarHBondContact O-N 2.93Å; K172-Y175 PolarHBondContact O-N 3.42Å; K172-V176 WeakPolarHBondContact O-CG2 3.18Å; K172-V176 PolarHBondContact O-N 2.91Å; K172-L187 HydrophobicContact CB-CD2 3.97Å; K172-L187 HydrophobicContact CD-CB 4.12Å; K172-L187 HydrophobicContact CD-CD2 4.38Å; K172-L187 HydrophobicContact CG-CD2 4.44Å; K172-L187 PolarHBondContact NZ-O 2.79Å; K172-I190 PolarHBondContact NZ-O 3.26Å
173E94.8Very high90.9Very high38 Ų3826 Ų2618%0.17814%0.137CC..Hα-helixtrans-62.7-48.5175.9-77.8-64137.100111.8D120 W169 F171 Y175 V176 K177D120-E173 HydrophobicContact CB-CB 3.69Å; W169-E173 HydrophobicContact CZ2-CG 4.17Å; W169-E173 PolarHBondContact O-N 2.86Å; F171-E173 VanDerWaalsContact C-N 3.34Å; F171-E173 PolarHBondContact O-N 3.44Å; E173-Y175 VanDerWaalsContact C-N 3.31Å; E173-Y175 PolarHBondContact O-N 2.69Å; E173-V176 PolarHBondContact O-N 3.35Å; E173-K177 VanDerWaalsContact O-CB 3.26Å; E173-K177 WeakPolarHBondContact O-CB 3.2Å; E173-K177 WeakPolarHBondContact O-CD 3.47Å; E173-K177 WeakPolarHBondContact O-CG 3.38Å; E173-K177 PolarHBondContact O-N 3.1Å
174A94.8Very high90.2Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-59.8-42176.600000111.5G118 C170 F171 K177 A178 V229 A231G118-A174 VanDerWaalsContact CA-O 3.32Å; G118-A174 WeakPolarHBondContact CA-O 3.49Å; C170-A174 WeakPolarHBondContact O-CB 3.43Å; C170-A174 PolarHBondContact O-N 2.93Å; F171-A174 PolarHBondContact O-N 3.06Å; A174-K177 PolarHBondContact O-N 3.07Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.88Å; A174-V229 HydrophobicContact CB-CB 4.33Å; A174-V229 HydrophobicContact CB-CG1 3.97Å; A174-A231 HydrophobicContact CB-CB 3.92Å
175Y92.3Very high89.6Confident8 Ų833.9 Ų33.93%0.03117%0.168CC..Hα-helixtrans-62.1-52.6176.5174.4-109.9000112.9F171 K172 E173 K177 A178 L179 I190 L207 W215 F217F171-Y175 WeakPolarHBondContact O-CB 3.28Å; F171-Y175 PolarHBondContact O-N 2.91Å; K172-Y175 PolarHBondContact O-N 3.42Å; E173-Y175 VanDerWaalsContact C-N 3.31Å; E173-Y175 PolarHBondContact O-N 2.69Å; Y175-K177 VanDerWaalsContact C-N 3.27Å; Y175-K177 PolarHBondContact O-N 3.27Å; Y175-A178 WeakPolarHBondContact O-CB 3.45Å; Y175-A178 PolarHBondContact O-N 3.19Å; Y175-A178 VanDerWaalsContact O-N 3.1Å; Y175-L179 HydrophobicContact CD1-CD1 4.14Å; Y175-L179 HydrophobicContact CE1-CD1 3.47Å; Y175-L179 VanDerWaalsContact CE1-CD1 3.47Å; Y175-L179 HydrophobicContact CE1-CG 4.33Å; Y175-L179 HydrophobicContact CE2-CD1 4.01Å; Y175-L179 HydrophobicContact CE2-CD2 4.34Å; Y175-L179 HydrophobicContact CE2-CG 4.09Å; Y175-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y175-L179 PolarHBondContact O-N 3.18Å; Y175-I190 HydrophobicContact CD1-CD1 3.66Å; Y175-I190 HydrophobicContact CD1-CG1 4.39Å; Y175-I190 HydrophobicContact CD1-CG2 4.19Å; Y175-I190 HydrophobicContact CE1-CD1 3.38Å; Y175-I190 HydrophobicContact CE1-CG1 3.88Å; Y175-I190 HydrophobicContact CE1-CG2 4.17Å; Y175-L207 HydrophobicContact CD2-CD1 3.79Å; Y175-L207 HydrophobicContact CD2-CD2 4.33Å; Y175-L207 HydrophobicContact CE2-CD1 3.13Å; Y175-L207 HydrophobicContact CE2-CD2 4.37Å; Y175-L207 HydrophobicContact CE2-CG 4.35Å; Y175-W215 HydrophobicContact CD2-CD2 4.31Å; Y175-W215 HydrophobicContact CD2-CE3 4.17Å; Y175-W215 AromaticContact CD2-CH2 3.58Å; Y175-W215 HydrophobicContact CD2-CH2 3.58Å; Y175-W215 AromaticContact CD2-CZ2 3.75Å; Y175-W215 HydrophobicContact CD2-CZ2 3.75Å; Y175-W215 AromaticContact CD2-CZ3 3.81Å; Y175-W215 HydrophobicContact CD2-CZ3 3.81Å; Y175-W215 HydrophobicContact CE2-CD2 4.21Å; Y175-W215 AromaticContact CE2-CE2 3.57Å; Y175-W215 HydrophobicContact CE2-CE3 4.48Å; Y175-W215 AromaticContact CE2-CH2 3.6Å; Y175-W215 HydrophobicContact CE2-CH2 3.6Å; Y175-W215 AromaticContact CE2-CZ2 3.26Å; Y175-W215 HydrophobicContact CE2-CZ2 3.26Å; Y175-W215 HydrophobicContact CE2-CZ3 4.2Å; Y175-F217 HydrophobicContact CD2-CE1 4.3Å; Y175-F217 HydrophobicContact CD2-CZ 4.02Å
176V92.1Very high89Confident11 Ų1137.8 Ų37.87%0.06719%0.194CC..Hα-helixtrans-61.2-39.6178.8167.50000111.2K172 E173 L179 G180 G182 L187K172-V176 WeakPolarHBondContact O-CG2 3.18Å; K172-V176 PolarHBondContact O-N 2.91Å; E173-V176 PolarHBondContact O-N 3.35Å; V176-L179 PolarHBondContact O-N 2.82Å; V176-G180 PolarHBondContact O-N 2.65Å; V176-G182 WeakPolarHBondContact CG1-O 3.26Å; V176-L187 HydrophobicContact CG2-CD2 3.49Å; V176-L187 VanDerWaalsContact CG2-CD2 3.49Å
177K94.4Very high88.7Confident43 Ų4338.9 Ų38.919%0.18720%0.2CC..Hα-helixtrans-60.3-47173.9-75.2168.3179.1178.30110.7R86 N99 S101 T119 D120 E173 A174 Y175 L179 G180R86-K177 PolarHBondContact NH1-O 3.12Å; N99-K177 WeakPolarHBondContact OD1-CD 3.3Å; S101-K177 PolarHBondContact OG-NZ 2.86Å; T119-K177 WeakPolarHBondContact O-CD 3.39Å; T119-K177 PolarHBondContact O-NZ 3.19Å; D120-K177 IonicContact OD1-NZ 3.4Å; D120-K177 PolarHBondContact OD1-NZ 2.86Å; E173-K177 VanDerWaalsContact O-CB 3.26Å; E173-K177 WeakPolarHBondContact O-CB 3.2Å; E173-K177 WeakPolarHBondContact O-CD 3.47Å; E173-K177 WeakPolarHBondContact O-CG 3.38Å; E173-K177 PolarHBondContact O-N 3.1Å; A174-K177 PolarHBondContact O-N 3.07Å; Y175-K177 VanDerWaalsContact C-N 3.27Å; Y175-K177 PolarHBondContact O-N 3.27Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 3.31Å; K177-G180 PolarHBondContact O-N 2.84Å
178A92.7Very high88.5Confident1 Ų142.6 Ų42.61%0.00822%0.216CC..Hα-helixtrans-59.5-42.8178.600000112.7R116 C117 A174 Y175 G180 W215 A231R116-A178 PolarHBondContact NE-O 3Å; C117-A178 WeakPolarHBondContact O-CA 3.44Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.88Å; Y175-A178 WeakPolarHBondContact O-CB 3.45Å; Y175-A178 PolarHBondContact O-N 3.19Å; Y175-A178 VanDerWaalsContact O-N 3.1Å; A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 2.72Å; A178-W215 HydrophobicContact CB-CH2 3.79Å; A178-W215 HydrophobicContact CB-CZ3 3.64Å; A178-A231 HydrophobicContact CB-CB 4.17Å
179L89.8Confident88.2Confident40 Ų4045.8 Ų45.821%0.20924%0.236CC..Hα-helixtrans-62.1-34174-69.6-177.4000112.8Y175 V176 K177 C181 I185 W215Y175-L179 HydrophobicContact CD1-CD1 4.14Å; Y175-L179 HydrophobicContact CE1-CD1 3.47Å; Y175-L179 VanDerWaalsContact CE1-CD1 3.47Å; Y175-L179 HydrophobicContact CE1-CG 4.33Å; Y175-L179 HydrophobicContact CE2-CD1 4.01Å; Y175-L179 HydrophobicContact CE2-CD2 4.34Å; Y175-L179 HydrophobicContact CE2-CG 4.09Å; Y175-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y175-L179 PolarHBondContact O-N 3.18Å; V176-L179 PolarHBondContact O-N 2.82Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 3.31Å; L179-C181 VanDerWaalsContact C-N 3.27Å; L179-C181 HydrophobicContact CB-CB 4.48Å; L179-C181 PolarHBondContact O-N 3.18Å; L179-I185 HydrophobicContact CD1-CD1 3.18Å; L179-W215 HydrophobicContact CD2-CH2 3.93Å; L179-W215 HydrophobicContact CD2-CZ2 3.7Å; L179-W215 HydrophobicContact CG-CH2 4.22Å; L179-W215 HydrophobicContact CG-CZ2 4.35Å
180G87.8Confident87.7Confident14 Ų1443 Ų4314%0.14423%0.226CC..THydrogen-bonded Turntrans70.422.5-179.400000113.5V176 K177 A178V176-G180 PolarHBondContact O-N 2.65Å; K177-G180 PolarHBondContact O-N 2.84Å; A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 2.72Å
181C82.1Confident87.3Confident33 Ų3343.9 Ų43.922%0.22323%0.23CC..  trans-93.4-1.2-178.259.20000114.3L179 R184 I185L179-C181 VanDerWaalsContact C-N 3.27Å; L179-C181 HydrophobicContact CB-CB 4.48Å; L179-C181 PolarHBondContact O-N 3.18Å; C181-R184 WeakPolarHBondContact O-CD 3.31Å; C181-R184 WeakPolarHBondContact O-CG 3.25Å; C181-I185 HydrophobicContact CB-CD1 4.49Å; C181-I185 WeakPolarHBondContact SG-CD1 3.43Å
182G76.4Confident86.7Confident32 Ų3243.9 Ų43.933%0.3323%0.23SC..G310 helixtrans62.4-158.7-170.600000112.9V176 R184V176-G182 WeakPolarHBondContact CG1-O 3.26Å; G182-R184 PolarHBondContact O-N 3.02Å
183L72.7Confident86Confident157 Ų15748.4 Ų48.482%0.82225%0.251SS*.G310 helixtrans-72.523.6-176-61.9175.3000114.9
184R77Confident85.2Confident207 Ų20747 Ų4778%0.78124%0.244SC*.G310 helixtrans-85.6-6.2-171-64.6-176.7-177.1-171.74.2114.5C181 G182C181-R184 WeakPolarHBondContact O-CD 3.31Å; C181-R184 WeakPolarHBondContact O-CG 3.25Å; G182-R184 PolarHBondContact O-N 3.02Å
185I80.2Confident84.1Confident44 Ų4450.2 Ų50.223%0.22627%0.267CS..SBendtrans-102.5133.1-176.4-59.1178.4000110.3L179 C181 L187 I190L179-I185 HydrophobicContact CD1-CD1 3.18Å; C181-I185 HydrophobicContact CB-CD1 4.49Å; C181-I185 WeakPolarHBondContact SG-CD1 3.43Å; I185-L187 PolarHBondContact O-N 3.01Å; I185-I190 HydrophobicContact CG2-CD1 3.68Å; I185-I190 HydrophobicContact CG2-CG1 4.45Å
186P83.7Confident82.8Confident85 Ų8555.7 Ų55.755%0.55230%0.297SS*.  trans-62.395.1171.2-2032.5000110.9K188 T189P186-K188 PolarHBondContact O-N 3.1Å; P186-T189 HydrophobicContact CB-CG2 3.99Å; P186-T189 PolarHBondContact O-N 3.4Å; P186-T189 PolarHBondContact O-OG1 3.01Å
187L88Confident81Confident30 Ų3056.7 Ų56.716%0.15731%0.31CS..G310 helixtrans-53.2-29.3-176.4-77-173.8000113.9I143 K172 V176 I185 T189 I190I143-L187 HydrophobicContact CG2-CB 4.15Å; I143-L187 HydrophobicContact CG2-CD1 3.88Å; I143-L187 CarbonylContact O-C 3.57Å; I143-L187 WeakPolarHBondContact O-CB 3.31Å; K172-L187 HydrophobicContact CB-CD2 3.97Å; K172-L187 HydrophobicContact CD-CB 4.12Å; K172-L187 HydrophobicContact CD-CD2 4.38Å; K172-L187 HydrophobicContact CG-CD2 4.44Å; K172-L187 PolarHBondContact NZ-O 2.79Å; V176-L187 HydrophobicContact CG2-CD2 3.49Å; V176-L187 VanDerWaalsContact CG2-CD2 3.49Å; I185-L187 PolarHBondContact O-N 3.01Å; L187-T189 PolarHBondContact O-N 2.73Å; L187-I190 HydrophobicContact CD2-CD1 4.21Å; L187-I190 PolarHBondContact O-N 2.91Å
188K90.1Very high78.9Confident86 Ų8658.7 Ų58.737%0.37434%0.342SS..G310 helixtrans-61.7-22.9176.6-168.8162.8-164.91740114.7D142 I143 F144 P186D142-K188 IonicContact OD1-NZ 3.76Å; D142-K188 PolarHBondContact OD1-NZ 2.85Å; I143-K188 PolarHBondContact O-N 3.39Å; F144-K188 WeakPolarHBondContact O-CG 3.46Å; P186-K188 PolarHBondContact O-N 3.1Å
189T85.5Confident76.9Confident72 Ų7264.2 Ų64.244%0.44237%0.372SS..G310 helixtrans-89.9-7.3-177.565.40000113.5P186 L187P186-T189 HydrophobicContact CB-CG2 3.99Å; P186-T189 PolarHBondContact O-N 3.4Å; P186-T189 PolarHBondContact O-OG1 3.01Å; L187-T189 PolarHBondContact O-N 2.73Å
190I86Confident75.6Confident0 Ų068.4 Ų68.40%039%0.39CS..  trans-102.6127.2179.8-58.3148.9000107.5F171 K172 Y175 I185 L187 L207F171-I190 HydrophobicContact CE1-CG2 3.91Å; F171-I190 HydrophobicContact CZ-CG2 3.79Å; K172-I190 PolarHBondContact NZ-O 3.26Å; Y175-I190 HydrophobicContact CD1-CD1 3.66Å; Y175-I190 HydrophobicContact CD1-CG1 4.39Å; Y175-I190 HydrophobicContact CD1-CG2 4.19Å; Y175-I190 HydrophobicContact CE1-CD1 3.38Å; Y175-I190 HydrophobicContact CE1-CG1 3.88Å; Y175-I190 HydrophobicContact CE1-CG2 4.17Å; I185-I190 HydrophobicContact CG2-CD1 3.68Å; I185-I190 HydrophobicContact CG2-CG1 4.45Å; L187-I190 HydrophobicContact CD2-CD1 4.21Å; L187-I190 PolarHBondContact O-N 2.91Å; I190-L207 HydrophobicContact CG2-CD2 3.94Å
191E85.2Confident74.3Confident18 Ų1869.8 Ų69.88%0.08439%0.394CS..BIsolated β-bridgetrans-127.3140.7173.5179.8170.1156.600110S145 T147 E148 R151 I208S145-E191 PolarHBondContact OG-OE2 3.28Å; T147-E191 VanDerWaalsContact CB-OE2 3.29Å; T147-E191 WeakPolarHBondContact CB-OE2 3.19Å; T147-E191 WeakPolarHBondContact CG2-OE1 3.31Å; T147-E191 PolarHBondContact OG1-OE2 2.74Å; E148-E191 HydrophobicContact CG-CG 3.93Å; R151-E191 IonicContact CZ-OE1 2.66Å; R151-E191 IonicContact NH1-OE1 2.74Å; R151-E191 IonicContact NH2-OE1 2.97Å; R151-E191 PolarHBondContact NH2-OE1 2.82Å; E191-I208 HydrophobicContact CB-CB 4.22Å; E191-I208 HydrophobicContact CG-CD1 4.23Å; E191-I208 PolarHBondContact O-N 3.13Å
192C82.5Confident73.8Confident1 Ų168.6 Ų68.61%0.00739%0.386CS..  trans-142.3153169.2-174.40000109.5H168 F171 A204H168-C192 PolarHBondContact CE1-O 3.31Å; H168-C192 VanDerWaalsContact CE1-O 3.28Å; F171-C192 HydrophobicContact CD1-CB 3.91Å; F171-C192 HydrophobicContact CD2-CB 3.67Å; F171-C192 HydrophobicContact CE1-CB 3.45Å; F171-C192 VanDerWaalsContact CE1-CB 3.45Å; F171-C192 HydrophobicContact CE2-CB 3.14Å; F171-C192 HydrophobicContact CG-CB 4.05Å; F171-C192 HydrophobicContact CZ-CB 3.06Å; C192-A204 WeakPolarHBondContact SG-CB 3.41Å
193Q78Confident73.1Confident97 Ų9769.9 Ų69.945%0.45339%0.385SS..  trans-129.9120.8177.3179.2173.5-1.900109.2A204Q193-A204 WeakPolarHBondContact O-CB 3.19Å
194F76.9Confident72.9Confident8 Ų862.8 Ų62.84%0.03535%0.349CS..  trans-74.5142.4164.7-67.1-71.8000109.8E167 F171 D196 A204 F217 K219 V229E167-F194 HydrophobicContact CB-CD2 4.32Å; E167-F194 HydrophobicContact CB-CE2 4.49Å; F171-F194 HydrophobicContact CB-CE2 4.05Å; F171-F194 HydrophobicContact CB-CZ 4.3Å; F194-D196 PolarHBondContact O-N 3.25Å; F194-A204 HydrophobicContact CD1-CB 3.87Å; F194-A204 HydrophobicContact CE1-CB 4.14Å; F194-F217 HydrophobicContact CE1-CB 3.94Å; F194-F217 HydrophobicContact CZ-CB 4.27Å; F194-K219 HydrophobicContact CB-CD 4Å; F194-K219 HydrophobicContact CD1-CB 4.22Å; F194-K219 HydrophobicContact CD1-CD 3.96Å; F194-K219 HydrophobicContact CD1-CG 4.16Å; F194-K219 HydrophobicContact CD2-CD 4.04Å; F194-K219 HydrophobicContact CE1-CB 3.91Å; F194-K219 HydrophobicContact CE1-CD 4.47Å; F194-K219 HydrophobicContact CE1-CG 4.34Å; F194-K219 HydrophobicContact CE2-CB 4.35Å; F194-K219 HydrophobicContact CG-CD 3.73Å; F194-K219 HydrophobicContact CG-CG 4.42Å; F194-K219 HydrophobicContact CZ-CB 3.99Å; F194-V229 HydrophobicContact CZ-CG1 4.08Å; F194-V229 HydrophobicContact CZ-CG2 4.26Å
195S72.4Confident72.2Confident68 Ų6857.3 Ų57.348%0.47634%0.335SS..  trans-57.4136.6167.552.40000110.3G197 S202S195-G197 PolarHBondContact O-N 3.31Å; S195-S202 PolarHBondContact O-OG 3.43Å; S195-S202 PolarHBondContact OG-OG 3.29Å
196D64.5Low71.4Confident122 Ų12262.4 Ų62.465%0.65236%0.358SS*.SBendtrans-73.492.3174.1-69.7-42.2000108.8K164 F194K164-D196 IonicContact NZ-OD1 2.69Å; K164-D196 PolarHBondContact NZ-OD1 2.97Å; F194-D196 PolarHBondContact O-N 3.25Å
197G55.3Low70.6Confident33 Ų3359.2 Ų59.234%0.3434%0.336SS..  trans-149.2119172.200000108.8S195 N199S195-G197 PolarHBondContact O-N 3.31Å; G197-N199 PolarHBondContact O-N 3.18Å
198G49.7Very low69.5Low84 Ų8461.1 Ų61.187%0.86635%0.346SS*.  trans-73.132.7-173.300000115.6
199N51.4Low68.3Low118 Ų11862.6 Ų62.663%0.63136%0.358SS*.SBendtrans-89.3163-179.6-70-13.7000111.5G197 L201 N221G197-N199 PolarHBondContact O-N 3.18Å; N199-L201 PolarHBondContact O-N 2.66Å; N199-N221 PolarHBondContact O-ND2 2.84Å
200E62.9Low67.4Low128 Ų12863.1 Ų63.160%0.59836%0.355SS*.SBendtrans-50-23.8171.5-68.2-177.2177.800112.8H220 N221E200-H220 CarbonylContact O-C 3.54Å; E200-H220 WeakPolarHBondContact O-CA 3.29Å; E200-N221 PolarHBondContact O-N 2.78Å
201L59.7Low65.9Low42 Ų4268.4 Ų68.422%0.2239%0.389CS..EExtended strand (participates in β ladder)trans-139.1130.9-175.2173.464.6000111.9N199 E218 K219 S243N199-L201 PolarHBondContact O-N 2.66Å; L201-E218 HydrophobicContact CD1-CB 3.95Å; L201-E218 HydrophobicContact CD1-CG 4.22Å; L201-K219 VanDerWaalsContact CA-O 3.25Å; L201-K219 WeakPolarHBondContact CA-O 3.38Å; L201-S243 WeakPolarHBondContact CD1-OG 3.29Å; L201-S243 WeakPolarHBondContact CD2-O 3.24Å; L201-S243 WeakPolarHBondContact CD2-OG 3.48Å; L201-S243 WeakPolarHBondContact CG-OG 3.13Å
202S71.7Confident64.8Low8 Ų874.2 Ų74.26%0.05642%0.421CS..EExtended strand (participates in β ladder)trans-139.2151.8161.9127.10000112.9S195 E218 K219S195-S202 PolarHBondContact O-OG 3.43Å; S195-S202 PolarHBondContact OG-OG 3.29Å; S202-E218 WeakPolarHBondContact O-CA 3.4Å; S202-K219 VanDerWaalsContact CB-CE 3.45Å; S202-K219 PolarHBondContact N-O 2.84Å; S202-K219 PolarHBondContact O-N 3.26Å; S202-K219 VanDerWaalsContact OG-CE 3.27Å; S202-K219 WeakPolarHBondContact OG-CE 3.43Å
203L61.7Low64Low59 Ų5979.2 Ų79.231%0.30944%0.443SS..EExtended strand (participates in β ladder)trans-108.8140.6-172-67.2174.1000111.1F217 E218L203-F217 VanDerWaalsContact CA-O 3.27Å; L203-F217 WeakPolarHBondContact CA-O 3.39Å; L203-E218 HydrophobicContact CD2-CB 4.35Å; L203-E218 HydrophobicContact CD2-CG 3.4Å; L203-E218 VanDerWaalsContact CD2-CG 3.4Å
204A68Low64.2Low8 Ų877.7 Ų77.77%0.06644%0.438CS..EExtended strand (participates in β ladder)trans-128.9132.9161.600000108.6C192 Q193 F194 F217C192-A204 WeakPolarHBondContact SG-CB 3.41Å; Q193-A204 WeakPolarHBondContact O-CB 3.19Å; F194-A204 HydrophobicContact CD1-CB 3.87Å; F194-A204 HydrophobicContact CE1-CB 4.14Å; A204-F217 HydrophobicContact CB-CB 4.26Å; A204-F217 PolarHBondContact N-O 3.18Å; A204-F217 WeakPolarHBondContact O-CB 3.27Å; A204-F217 WeakPolarHBondContact O-CD2 3.34Å; A204-F217 PolarHBondContact O-N 3.14Å
205N61.9Low64.7Low92 Ų9278 Ų7849%0.49244%0.439SS..  trans-109.9-8.2-175.2-66.5-28.3000113.3W215N205-W215 CarbonylContact C-O 3.54Å; N205-W215 WeakPolarHBondContact CA-O 3.5Å
206E64.8Low65.4Low152 Ų15275.2 Ų75.271%0.7142%0.42SS*.  trans-121.2127.6-171.2-66.6179.6-167.100110.8
207L67.3Low66.5Low18 Ų1869.4 Ų69.49%0.09439%0.389CS..  trans-87.1119.7158.5-70.8178.5000108.2F171 Y175 I190 N209 Q210 W215 F217F171-L207 HydrophobicContact CE2-CD2 3.74Å; F171-L207 HydrophobicContact CZ-CD2 3.43Å; F171-L207 VanDerWaalsContact CZ-CD2 3.43Å; Y175-L207 HydrophobicContact CD2-CD1 3.79Å; Y175-L207 HydrophobicContact CD2-CD2 4.33Å; Y175-L207 HydrophobicContact CE2-CD1 3.13Å; Y175-L207 HydrophobicContact CE2-CD2 4.37Å; Y175-L207 HydrophobicContact CE2-CG 4.35Å; I190-L207 HydrophobicContact CG2-CD2 3.94Å; L207-N209 PolarHBondContact O-N 3.26Å; L207-Q210 HydrophobicContact CB-CB 4.12Å; L207-Q210 HydrophobicContact CD1-CB 4.17Å; L207-W215 HydrophobicContact CD1-CD2 3.98Å; L207-W215 HydrophobicContact CD1-CG 3.76Å; L207-W215 VanDerWaalsContact CD1-NE1 3.26Å; L207-W215 HydrophobicContact CG-CB 4.48Å; L207-W215 HydrophobicContact CG-CG 4.12Å; L207-F217 HydrophobicContact CD1-CZ 4.3Å; L207-F217 HydrophobicContact CD2-CE2 3.65Å; L207-F217 HydrophobicContact CD2-CZ 3.55Å; L207-F217 HydrophobicContact CG-CE2 3.86Å; L207-F217 HydrophobicContact CG-CZ 3.95Å
208I64Low68.2Low70 Ų7067.9 Ų67.936%0.35937%0.373SS..BIsolated β-bridgetrans-75.9125.8171.9-54.1176.9000106.3E191E191-I208 HydrophobicContact CB-CB 4.22Å; E191-I208 HydrophobicContact CG-CD1 4.23Å; E191-I208 PolarHBondContact O-N 3.13Å
209N64Low70.2Confident116 Ų11664.2 Ų64.262%0.6233%0.333SS*.THydrogen-bonded Turntrans81.717.5179.5-43.3-52.3000118.1L207L207-N209 PolarHBondContact O-N 3.26Å
210Q67.7Low72.2Confident83 Ų8358.8 Ų58.839%0.38830%0.304SS..  trans-134.6113.2173.4-67.7-66.4-29.200111.1L207L207-Q210 HydrophobicContact CB-CB 4.12Å; L207-Q210 HydrophobicContact CD1-CB 4.17Å
211P55.3Low73.7Confident111 Ų11155.3 Ų55.372%0.72129%0.29SS*.  trans-83-15-164.226.7-31.2000117.5
212D60.2Low75.3Confident141 Ų14154.2 Ų54.275%0.75428%0.284SS*.SBendtrans-11616.3-152.9-65.2-36.8000118.6
213K67.3Low76.4Confident105 Ų10556.5 Ų56.546%0.45730%0.298SS..  trans-145.1147.6174.2-43.9-178.1177.8-176.40114.4W215 S233K213-W215 HydrophobicContact CD-CZ2 3.72Å; K213-W215 PolarHBondContact O-N 3.35Å; K213-S233 WeakPolarHBondContact CD-OG 3.23Å
214N82Confident77.9Confident65 Ų6557.4 Ų57.435%0.34830%0.301SS..EExtended strand (participates in β ladder)trans-67.997.7166.1-60.8-50.7000108.3S233 E234 Y237N214-S233 WeakPolarHBondContact O-CA 3.38Å; N214-E234 HydrophobicContact CB-CB 4.47Å; N214-E234 PolarHBondContact O-N 2.89Å; N214-Y237 PolarHBondContact ND2-N 3.44Å
215W85.9Confident79.1Confident15 Ų1559.2 Ų59.26%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-99.1137.2176.5-71.9100.3000110.9Y175 A178 L179 N205 L207 K213 F217 A231 W232 S233Y175-W215 HydrophobicContact CD2-CD2 4.31Å; Y175-W215 HydrophobicContact CD2-CE3 4.17Å; Y175-W215 AromaticContact CD2-CH2 3.58Å; Y175-W215 HydrophobicContact CD2-CH2 3.58Å; Y175-W215 AromaticContact CD2-CZ2 3.75Å; Y175-W215 HydrophobicContact CD2-CZ2 3.75Å; Y175-W215 AromaticContact CD2-CZ3 3.81Å; Y175-W215 HydrophobicContact CD2-CZ3 3.81Å; Y175-W215 HydrophobicContact CE2-CD2 4.21Å; Y175-W215 AromaticContact CE2-CE2 3.57Å; Y175-W215 HydrophobicContact CE2-CE3 4.48Å; Y175-W215 AromaticContact CE2-CH2 3.6Å; Y175-W215 HydrophobicContact CE2-CH2 3.6Å; Y175-W215 AromaticContact CE2-CZ2 3.26Å; Y175-W215 HydrophobicContact CE2-CZ2 3.26Å; Y175-W215 HydrophobicContact CE2-CZ3 4.2Å; A178-W215 HydrophobicContact CB-CH2 3.79Å; A178-W215 HydrophobicContact CB-CZ3 3.64Å; L179-W215 HydrophobicContact CD2-CH2 3.93Å; L179-W215 HydrophobicContact CD2-CZ2 3.7Å; L179-W215 HydrophobicContact CG-CH2 4.22Å; L179-W215 HydrophobicContact CG-CZ2 4.35Å; N205-W215 CarbonylContact C-O 3.54Å; N205-W215 WeakPolarHBondContact CA-O 3.5Å; L207-W215 HydrophobicContact CD1-CD2 3.98Å; L207-W215 HydrophobicContact CD1-CG 3.76Å; L207-W215 VanDerWaalsContact CD1-NE1 3.26Å; L207-W215 HydrophobicContact CG-CB 4.48Å; L207-W215 HydrophobicContact CG-CG 4.12Å; K213-W215 HydrophobicContact CD-CZ2 3.72Å; K213-W215 PolarHBondContact O-N 3.35Å; W215-F217 HydrophobicContact CB-CD2 4.34Å; W215-F217 HydrophobicContact CB-CE2 3.53Å; W215-F217 HydrophobicContact CB-CZ 4Å; W215-F217 HydrophobicContact CD2-CE2 4.4Å; W215-F217 AromaticContact CD2-CZ 3.94Å; W215-F217 HydrophobicContact CD2-CZ 3.94Å; W215-F217 HydrophobicContact CE3-CE1 4.15Å; W215-F217 HydrophobicContact CE3-CE2 4.36Å; W215-F217 AromaticContact CE3-CZ 3.66Å; W215-F217 HydrophobicContact CE3-CZ 3.66Å; W215-F217 HydrophobicContact CG-CE2 4.09Å; W215-F217 HydrophobicContact CG-CZ 4.1Å; W215-F217 HydrophobicContact CZ3-CZ 4.43Å; W215-A231 HydrophobicContact CE3-CB 4.46Å; W215-A231 HydrophobicContact CZ3-CB 4.15Å; W215-W232 CarbonylContact C-O 3.57Å; W215-W232 VanDerWaalsContact CA-O 3.31Å; W215-W232 WeakPolarHBondContact CA-O 3.41Å; W215-S233 VanDerWaalsContact CZ3-CB 3.49Å
216A87.2Confident80.7Confident10 Ų1054.9 Ų54.98%0.08329%0.286CS..EExtended strand (participates in β ladder)trans-128.6129.8163.600000108.6W232A216-W232 HydrophobicContact CB-CB 4.34Å; A216-W232 PolarHBondContact N-O 3.21Å; A216-W232 PolarHBondContact O-N 3.4Å
217F88.6Confident82.2Confident0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-115.1135.4176.2-60.2-86.5000109.4F171 Y175 F194 L203 A204 L207 W215 V230 A231F171-F217 AromaticContact CD2-CD1 3.56Å; F171-F217 HydrophobicContact CD2-CD1 3.56Å; F171-F217 HydrophobicContact CD2-CD2 4.47Å; F171-F217 AromaticContact CD2-CE1 3.75Å; F171-F217 HydrophobicContact CD2-CE1 3.75Å; F171-F217 AromaticContact CD2-CG 3.97Å; F171-F217 HydrophobicContact CD2-CG 3.97Å; F171-F217 HydrophobicContact CD2-CZ 4.32Å; F171-F217 AromaticContact CE2-CD1 3.64Å; F171-F217 HydrophobicContact CE2-CD1 3.64Å; F171-F217 HydrophobicContact CE2-CD2 4.05Å; F171-F217 AromaticContact CE2-CE1 3.4Å; F171-F217 HydrophobicContact CE2-CE1 3.4Å; F171-F217 VanDerWaalsContact CE2-CE1 3.4Å; F171-F217 AromaticContact CE2-CE2 3.84Å; F171-F217 HydrophobicContact CE2-CE2 3.84Å; F171-F217 AromaticContact CE2-CG 3.97Å; F171-F217 HydrophobicContact CE2-CG 3.97Å; F171-F217 AromaticContact CE2-CZ 3.54Å; F171-F217 HydrophobicContact CE2-CZ 3.54Å; F171-F217 HydrophobicContact CZ-CE1 4.48Å; F171-F217 HydrophobicContact CZ-CZ 4.41Å; Y175-F217 HydrophobicContact CD2-CE1 4.3Å; Y175-F217 HydrophobicContact CD2-CZ 4.02Å; F194-F217 HydrophobicContact CE1-CB 3.94Å; F194-F217 HydrophobicContact CZ-CB 4.27Å; L203-F217 VanDerWaalsContact CA-O 3.27Å; L203-F217 WeakPolarHBondContact CA-O 3.39Å; A204-F217 HydrophobicContact CB-CB 4.26Å; A204-F217 PolarHBondContact N-O 3.18Å; A204-F217 WeakPolarHBondContact O-CB 3.27Å; A204-F217 WeakPolarHBondContact O-CD2 3.34Å; A204-F217 PolarHBondContact O-N 3.14Å; L207-F217 HydrophobicContact CD1-CZ 4.3Å; L207-F217 HydrophobicContact CD2-CE2 3.65Å; L207-F217 HydrophobicContact CD2-CZ 3.55Å; L207-F217 HydrophobicContact CG-CE2 3.86Å; L207-F217 HydrophobicContact CG-CZ 3.95Å; W215-F217 HydrophobicContact CB-CD2 4.34Å; W215-F217 HydrophobicContact CB-CE2 3.53Å; W215-F217 HydrophobicContact CB-CZ 4Å; W215-F217 HydrophobicContact CD2-CE2 4.4Å; W215-F217 AromaticContact CD2-CZ 3.94Å; W215-F217 HydrophobicContact CD2-CZ 3.94Å; W215-F217 HydrophobicContact CE3-CE1 4.15Å; W215-F217 HydrophobicContact CE3-CE2 4.36Å; W215-F217 AromaticContact CE3-CZ 3.66Å; W215-F217 HydrophobicContact CE3-CZ 3.66Å; W215-F217 HydrophobicContact CG-CE2 4.09Å; W215-F217 HydrophobicContact CG-CZ 4.1Å; W215-F217 HydrophobicContact CZ3-CZ 4.43Å; F217-V230 CarbonylContact C-O 3.58Å; F217-V230 VanDerWaalsContact CA-O 3.31Å; F217-V230 WeakPolarHBondContact CA-O 3.43Å; F217-A231 HydrophobicContact CD1-CB 3.59Å; F217-A231 HydrophobicContact CE1-CB 3.39Å; F217-A231 HydrophobicContact CZ-CB 4.45Å
218E91Very high83.6Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-124.2125.7177.6-65.8162.7-16700108.7R11 R13 L201 S202 L203 H220 V229 V230 W232R11-E218 IonicContact NH1-OE1 3.88Å; R11-E218 PolarHBondContact NH1-OE1 2.83Å; R13-E218 IonicContact CZ-OE1 3.25Å; R13-E218 IonicContact CZ-OE2 2.74Å; R13-E218 IonicContact NE-OE1 3.51Å; R13-E218 IonicContact NE-OE2 3.99Å; R13-E218 PolarHBondContact NE-OE2 3.44Å; R13-E218 VanDerWaalsContact NH2-CD 3.35Å; R13-E218 IonicContact NH2-OE1 3.44Å; R13-E218 PolarHBondContact NH2-OE1 3.2Å; R13-E218 IonicContact NH2-OE2 3.31Å; R13-E218 PolarHBondContact NH2-OE2 3.29Å; L201-E218 HydrophobicContact CD1-CB 3.95Å; L201-E218 HydrophobicContact CD1-CG 4.22Å; S202-E218 WeakPolarHBondContact O-CA 3.4Å; L203-E218 HydrophobicContact CD2-CB 4.35Å; L203-E218 HydrophobicContact CD2-CG 3.4Å; L203-E218 VanDerWaalsContact CD2-CG 3.4Å; E218-H220 VanDerWaalsContact CB-NE2 3.31Å; E218-H220 WeakPolarHBondContact CB-NE2 3.42Å; E218-H220 IonicContact OE2-CE1 2.78Å; E218-H220 IonicContact OE2-NE2 3.18Å; E218-H220 PolarHBondContact OE2-NE2 2.85Å; E218-V229 CarbonylContact O-C 3.5Å; E218-V229 VanDerWaalsContact O-CA 3.25Å; E218-V229 WeakPolarHBondContact O-CA 3.46Å; E218-V230 PolarHBondContact N-O 2.85Å; E218-V230 PolarHBondContact O-N 3.48Å; E218-W232 PolarHBondContact OE1-NE1 2.99Å; E218-W232 PolarHBondContact OE2-NE1 3.3Å
219K91.2Very high85.1Confident8 Ų843.5 Ų43.54%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-98.2138.5168.273.9-178.7-174.8-178.10110E167 F194 L201 S202 L227 A228 V229E167-K219 HydrophobicContact CG-CD 4.43Å; E167-K219 IonicContact OE1-NZ 2.82Å; E167-K219 PolarHBondContact OE1-NZ 3.4Å; E167-K219 IonicContact OE2-NZ 3.58Å; F194-K219 HydrophobicContact CB-CD 4Å; F194-K219 HydrophobicContact CD1-CB 4.22Å; F194-K219 HydrophobicContact CD1-CD 3.96Å; F194-K219 HydrophobicContact CD1-CG 4.16Å; F194-K219 HydrophobicContact CD2-CD 4.04Å; F194-K219 HydrophobicContact CE1-CB 3.91Å; F194-K219 HydrophobicContact CE1-CD 4.47Å; F194-K219 HydrophobicContact CE1-CG 4.34Å; F194-K219 HydrophobicContact CE2-CB 4.35Å; F194-K219 HydrophobicContact CG-CD 3.73Å; F194-K219 HydrophobicContact CG-CG 4.42Å; F194-K219 HydrophobicContact CZ-CB 3.99Å; L201-K219 VanDerWaalsContact CA-O 3.25Å; L201-K219 WeakPolarHBondContact CA-O 3.38Å; S202-K219 VanDerWaalsContact CB-CE 3.45Å; S202-K219 PolarHBondContact N-O 2.84Å; S202-K219 PolarHBondContact O-N 3.26Å; S202-K219 VanDerWaalsContact OG-CE 3.27Å; S202-K219 WeakPolarHBondContact OG-CE 3.43Å; K219-L227 HydrophobicContact CB-CD1 4.37Å; K219-A228 CarbonylContact C-O 3.57Å; K219-A228 WeakPolarHBondContact CA-O 3.38Å; K219-V229 HydrophobicContact CB-CG2 4.21Å
220H93.6Very high86.5Confident4 Ų438 Ų382%0.01920%0.202CC..EExtended strand (participates in β ladder)trans-131.2131.3-174.4-65.7-98.4000111.1E200 E218 A228 T244 F246E200-H220 CarbonylContact O-C 3.54Å; E200-H220 WeakPolarHBondContact O-CA 3.29Å; E218-H220 VanDerWaalsContact CB-NE2 3.31Å; E218-H220 WeakPolarHBondContact CB-NE2 3.42Å; E218-H220 IonicContact OE2-CE1 2.78Å; E218-H220 IonicContact OE2-NE2 3.18Å; E218-H220 PolarHBondContact OE2-NE2 2.85Å; H220-A228 HydrophobicContact CB-CB 4.21Å; H220-A228 PolarHBondContact N-O 3.43Å; H220-A228 PolarHBondContact O-N 3.41Å; H220-T244 PolarHBondContact CE1-O 3.24Å; H220-T244 VanDerWaalsContact CE1-O 3.24Å; H220-F246 HydrophobicContact CB-CD2 3.8Å; H220-F246 HydrophobicContact CB-CE2 4.04Å; H220-F246 AromaticContact CD2-CD2 3.96Å; H220-F246 AromaticContact CD2-CE2 3.62Å; H220-F246 AromaticContact CG-CD2 3.57Å; H220-F246 AromaticContact CG-CE2 3.7Å; H220-F246 AromaticContact ND1-CD2 3.72Å
221N93.7Very high87.7Confident55 Ų5534 Ų3429%0.29418%0.183SC..EExtended strand (participates in β ladder)trans-84.6121.3168.3-73.4-46.7000110.4R163 N199 E200R163-N221 VanDerWaalsContact CZ-OD1 3.24Å; R163-N221 PolarHBondContact NH1-OD1 3.26Å; R163-N221 PolarHBondContact NH2-ND2 3.13Å; R163-N221 PolarHBondContact NH2-OD1 2.88Å; N199-N221 PolarHBondContact O-ND2 2.84Å; E200-N221 PolarHBondContact O-N 2.78Å
222L94.9Very high89.4Confident18 Ų1828.8 Ų28.89%0.09415%0.149CC..EExtended strand (participates in β ladder)trans-105.4157.8170.7-62-178000109.9A15 F106 I108 V121 H226 A228 F246A15-L222 HydrophobicContact CB-CD1 4.47Å; F106-L222 HydrophobicContact CB-CD1 4.37Å; F106-L222 HydrophobicContact CD1-CD1 4.09Å; F106-L222 HydrophobicContact CD2-CB 4.48Å; F106-L222 HydrophobicContact CE2-CB 4.3Å; F106-L222 HydrophobicContact CG-CD1 4.07Å; F106-L222 HydrophobicContact CZ-CB 4.37Å; I108-L222 HydrophobicContact CG2-CD1 3.91Å; V121-L222 HydrophobicContact CG2-CD1 3.99Å; L222-H226 HydrophobicContact CB-CB 3.86Å; L222-H226 PolarHBondContact N-O 3.05Å; L222-H226 PolarHBondContact O-N 3.37Å; L222-A228 HydrophobicContact CD1-CB 3.87Å; L222-A228 HydrophobicContact CG-CB 4.2Å; L222-F246 HydrophobicContact CD2-CB 3.82Å; L222-F246 HydrophobicContact CD2-CD2 4.37Å; L222-F246 HydrophobicContact CD2-CG 4.18Å
223P94.4Very high90.8Very high56 Ų5622.3 Ų22.336%0.36412%0.115SC..THydrogen-bonded Turntrans-52.8163.9176.9-29.837.7000114.5F106 N225 H226F106-P223 HydrophobicContact CE2-CB 4.39Å; F106-P223 WeakPolarHBondContact CE2-O 3.16Å; F106-P223 HydrophobicContact CZ-CB 4.07Å; F106-P223 HydrophobicContact CZ-CG 4.17Å; P223-N225 PolarHBondContact O-N 3.24Å; P223-H226 PolarHBondContact O-N 3.47Å; P223-H226 PolarHBondContact O-ND1 3.17Å
224Q92.2Very high91.5Very high78 Ų7818 Ų1836%0.36410%0.096SC..THydrogen-bonded Turntrans57.332.6-178.2-65.273.446.300114.3L20 H226L20-Q224 HydrophobicContact CD1-CG 4.06Å; Q224-H226 PolarHBondContact O-ND1 3.25Å
225N93.7Very high91.2Very high47 Ų4721.3 Ų21.325%0.25111%0.114SC..THydrogen-bonded Turntrans6143.3178-159.626.3000113.2I124 P223 I286I124-N225 PolarHBondContact N-O 3.48Å; I124-N225 PolarHBondContact O-ND2 2.97Å; P223-N225 PolarHBondContact O-N 3.24Å; N225-I286 PolarHBondContact ND2-O 2.87Å
226H95.8Very high90.3Very high1 Ų124.7 Ų24.71%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-99.3139.3173.7-68.181.2000110.3G103 G104 D105 F106 V121 M122 L222 P223 Q224G103-H226 PolarHBondContact O-CD2 3.23Å; G104-H226 WeakPolarHBondContact CA-NE2 3.42Å; D105-H226 PolarHBondContact N-NE2 3.48Å; D105-H226 IonicContact OD2-CE1 3.32Å; F106-H226 HydrophobicContact CD2-CB 4.08Å; F106-H226 AromaticContact CD2-CD2 3.94Å; F106-H226 AromaticContact CD2-CE1 3.97Å; F106-H226 AromaticContact CD2-CG 3.66Å; F106-H226 AromaticContact CD2-ND1 3.67Å; F106-H226 HydrophobicContact CE2-CB 4.49Å; F106-H226 AromaticContact CE2-ND1 3.79Å; V121-H226 HydrophobicContact CG2-CB 4.3Å; M122-H226 WeakPolarHBondContact O-CA 3.06Å; L222-H226 HydrophobicContact CB-CB 3.86Å; L222-H226 PolarHBondContact N-O 3.05Å; L222-H226 PolarHBondContact O-N 3.37Å; P223-H226 PolarHBondContact O-N 3.47Å; P223-H226 PolarHBondContact O-ND1 3.17Å; Q224-H226 PolarHBondContact O-ND1 3.25Å
227L95.4Very high88.9Confident0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-110.8122.9173.6178.869.6000108.8V121 M122 I124 E167 K219V121-L227 CarbonylContact C-O 3.57Å; V121-L227 VanDerWaalsContact CA-O 3.28Å; V121-L227 WeakPolarHBondContact CA-O 3.41Å; M122-L227 PolarHBondContact N-O 3.32Å; M122-L227 PolarHBondContact O-N 3.21Å; I124-L227 HydrophobicContact CD1-CB 4.13Å; I124-L227 HydrophobicContact CG1-CB 4.19Å; E167-L227 HydrophobicContact CB-CD2 4.18Å; E167-L227 HydrophobicContact CG-CD2 3.64Å; K219-L227 HydrophobicContact CB-CD1 4.37Å
228A96.8Very high87.2Confident0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-106.6143.8169.600000110.6I108 D120 V121 K219 H220 L222 F246I108-A228 HydrophobicContact CD1-CB 3.81Å; D120-A228 CarbonylContact O-C 3.47Å; D120-A228 WeakPolarHBondContact O-CA 3.39Å; V121-A228 HydrophobicContact CB-CB 4.24Å; V121-A228 HydrophobicContact CG2-CB 4.22Å; K219-A228 CarbonylContact C-O 3.57Å; K219-A228 WeakPolarHBondContact CA-O 3.38Å; H220-A228 HydrophobicContact CB-CB 4.21Å; H220-A228 PolarHBondContact N-O 3.43Å; H220-A228 PolarHBondContact O-N 3.41Å; L222-A228 HydrophobicContact CD1-CB 3.87Å; L222-A228 HydrophobicContact CG-CB 4.2Å; A228-F246 HydrophobicContact CB-CE2 3.98Å; A228-F246 HydrophobicContact CB-CZ 4.37Å
229V95.2Very high85.4Confident0 Ų041.3 Ų41.30%021%0.208CC..EExtended strand (participates in β ladder)trans-125.5140.6169.7176.90000109.2T119 D120 C170 A174 F194 E218 K219T119-V229 CarbonylContact C-O 3.46Å; T119-V229 WeakPolarHBondContact CA-O 3.42Å; T119-V229 PolarHBondContact OG1-O 2.87Å; D120-V229 PolarHBondContact N-O 2.98Å; D120-V229 PolarHBondContact O-N 2.94Å; C170-V229 HydrophobicContact CB-CB 3.86Å; C170-V229 HydrophobicContact CB-CG2 3.48Å; C170-V229 VanDerWaalsContact CB-CG2 3.48Å; A174-V229 HydrophobicContact CB-CB 4.33Å; A174-V229 HydrophobicContact CB-CG1 3.97Å; F194-V229 HydrophobicContact CZ-CG1 4.08Å; F194-V229 HydrophobicContact CZ-CG2 4.26Å; E218-V229 CarbonylContact O-C 3.5Å; E218-V229 VanDerWaalsContact O-CA 3.25Å; E218-V229 WeakPolarHBondContact O-CA 3.46Å; K219-V229 HydrophobicContact CB-CG2 4.21Å
230V94.7Very high83.4Confident0 Ų043.6 Ų43.60%023%0.229CC..EExtended strand (participates in β ladder)trans-121.2131.4171-164.90000109.3A110 G118 F217 E218 W232 F246A110-V230 HydrophobicContact CB-CG1 3.51Å; A110-V230 HydrophobicContact CB-CG2 4.42Å; G118-V230 CarbonylContact O-C 3.48Å; G118-V230 WeakPolarHBondContact O-CA 3.42Å; F217-V230 CarbonylContact C-O 3.58Å; F217-V230 VanDerWaalsContact CA-O 3.31Å; F217-V230 WeakPolarHBondContact CA-O 3.43Å; E218-V230 PolarHBondContact N-O 2.85Å; E218-V230 PolarHBondContact O-N 3.48Å; V230-W232 HydrophobicContact CB-CZ2 4.11Å; V230-W232 HydrophobicContact CG1-CD2 3.9Å; V230-W232 HydrophobicContact CG1-CE3 4.29Å; V230-W232 HydrophobicContact CG1-CH2 3.72Å; V230-W232 HydrophobicContact CG1-CZ2 3.29Å; V230-W232 HydrophobicContact CG1-CZ3 4.19Å; V230-F246 HydrophobicContact CG2-CE2 3.69Å; V230-F246 HydrophobicContact CG2-CZ 3.55Å
231A92.9Very high81.6Confident0 Ų046.5 Ų46.50%024%0.241CC..EExtended strand (participates in β ladder)trans-107.1127.4171.900000108.9C117 G118 A174 A178 W215 F217C117-A231 CarbonylContact C-O 3.2Å; C117-A231 WeakPolarHBondContact CA-O 3.44Å; G118-A231 PolarHBondContact N-O 3.09Å; G118-A231 PolarHBondContact O-N 3.33Å; A174-A231 HydrophobicContact CB-CB 3.92Å; A178-A231 HydrophobicContact CB-CB 4.17Å; W215-A231 HydrophobicContact CE3-CB 4.46Å; W215-A231 HydrophobicContact CZ3-CB 4.15Å; F217-A231 HydrophobicContact CD1-CB 3.59Å; F217-A231 HydrophobicContact CE1-CB 3.39Å; F217-A231 HydrophobicContact CZ-CB 4.45Å
232W90.9Very high79.9Confident1 Ų149.9 Ų49.90%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-114.5126.7174.8-50.3104.7000108.7R11 R13 A110 T112 C117 W215 A216 E218 V230R11-W232 HydrophobicContact CB-CH2 3.92Å; R11-W232 HydrophobicContact CB-CZ2 3.98Å; R11-W232 HydrophobicContact CB-CZ3 4.34Å; R11-W232 HydrophobicContact CG-CD2 4.27Å; R11-W232 HydrophobicContact CG-CE3 4.22Å; R11-W232 HydrophobicContact CG-CH2 4.26Å; R11-W232 HydrophobicContact CG-CZ2 4.27Å; R11-W232 HydrophobicContact CG-CZ3 4.25Å; R13-W232 HydrophobicContact CG-CZ2 4.09Å; A110-W232 HydrophobicContact CB-CH2 3.9Å; A110-W232 HydrophobicContact CB-CZ3 4.29Å; T112-W232 HydrophobicContact CG2-CE3 4.17Å; T112-W232 HydrophobicContact CG2-CZ3 4.21Å; C117-W232 HydrophobicContact CB-CE3 3.47Å; C117-W232 VanDerWaalsContact CB-CE3 3.47Å; C117-W232 HydrophobicContact CB-CZ3 3.49Å; C117-W232 VanDerWaalsContact CB-CZ3 3.49Å; W215-W232 CarbonylContact C-O 3.57Å; W215-W232 VanDerWaalsContact CA-O 3.31Å; W215-W232 WeakPolarHBondContact CA-O 3.41Å; A216-W232 HydrophobicContact CB-CB 4.34Å; A216-W232 PolarHBondContact N-O 3.21Å; A216-W232 PolarHBondContact O-N 3.4Å; E218-W232 PolarHBondContact OE1-NE1 2.99Å; E218-W232 PolarHBondContact OE2-NE1 3.3Å; V230-W232 HydrophobicContact CB-CZ2 4.11Å; V230-W232 HydrophobicContact CG1-CD2 3.9Å; V230-W232 HydrophobicContact CG1-CE3 4.29Å; V230-W232 HydrophobicContact CG1-CH2 3.72Å; V230-W232 HydrophobicContact CG1-CZ2 3.29Å; V230-W232 HydrophobicContact CG1-CZ3 4.19Å
233S89.5Confident78.3Confident6 Ų650.1 Ų50.14%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-116.1102.9172.91560000107.6G115 R116 K213 N214 W215G115-S233 WeakPolarHBondContact CA-O 3.46Å; R116-S233 PolarHBondContact N-O 3.39Å; R116-S233 PolarHBondContact O-N 2.93Å; K213-S233 WeakPolarHBondContact CD-OG 3.23Å; N214-S233 WeakPolarHBondContact O-CA 3.38Å; W215-S233 VanDerWaalsContact CZ3-CB 3.49Å
234E81.8Confident77.7Confident13 Ų1350.9 Ų50.96%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-100142.5-172.1-65.2-178.8152.900112.4R11 E114 N214 T236 V238R11-E234 IonicContact CZ-OE1 2.72Å; R11-E234 IonicContact NE-OE1 3.65Å; R11-E234 PolarHBondContact NE-OE1 3.35Å; R11-E234 IonicContact NH2-OE1 2.65Å; R11-E234 PolarHBondContact NH2-OE1 2.86Å; R11-E234 IonicContact NH2-OE2 3.18Å; R11-E234 PolarHBondContact NH2-OE2 2.74Å; R11-E234 VanDerWaalsContact NH2-OE2 3.07Å; E114-E234 WeakPolarHBondContact O-CA 3.31Å; N214-E234 HydrophobicContact CB-CB 4.47Å; N214-E234 PolarHBondContact O-N 2.89Å; E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 WeakPolarHBondContact CB-O 3.27Å; E234-T236 PolarHBondContact O-N 3.45Å; E234-V238 WeakPolarHBondContact OE2-CB 3.22Å; E234-V238 VanDerWaalsContact OE2-CG2 3.23Å; E234-V238 WeakPolarHBondContact OE2-CG2 3.46Å
235N74.8Confident77.6Confident135 Ų13550.2 Ų50.272%0.72228%0.275SS*.SBendtrans-70.3-28178.9-67.7-23.8000112.4E114E114-N235 PolarHBondContact O-N 3.03Å; E114-N235 VanDerWaalsContact O-N 3.09Å
236T68.3Low77.6Confident86 Ų8649 Ų4953%0.52827%0.267SS..SBendtrans-125.1150.2177.349.40000109.1E234 V238E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 WeakPolarHBondContact CB-O 3.27Å; E234-T236 PolarHBondContact O-N 3.45Å; T236-V238 PolarHBondContact O-N 3.3Å
237Y56.8Low77.6Confident173 Ų17352 Ų5268%0.67829%0.288SS*.  trans-62.1111169.9178.9-93.6000108.4N214 E239N214-Y237 PolarHBondContact ND2-N 3.44Å; Y237-E239 HydrophobicContact CE1-CB 4.19Å
238V54.1Low77.7Confident28 Ų2856.4 Ų56.417%0.1731%0.309CS..  trans-97.8116.9166.8-1700000105.6E234 T236 A240 K241E234-V238 WeakPolarHBondContact OE2-CB 3.22Å; E234-V238 VanDerWaalsContact OE2-CG2 3.23Å; E234-V238 WeakPolarHBondContact OE2-CG2 3.46Å; T236-V238 PolarHBondContact O-N 3.3Å; V238-A240 PolarHBondContact O-N 2.99Å; V238-K241 HydrophobicContact CG1-CD 4.24Å; V238-K241 HydrophobicContact CG1-CG 4Å
239E52Low77.8Confident158 Ų15856.9 Ų56.974%0.73831%0.312SS*.  trans-49.2127.5168.7-163.9172.7-142.600107.5Y237 K241Y237-E239 HydrophobicContact CE1-CB 4.19Å; E239-K241 PolarHBondContact O-N 3.37Å
240A50.1Low77.9Confident57 Ų5760 Ų6047%0.47133%0.331SS..  trans-44.7102.3-167.100000110.3V238 T242V238-A240 PolarHBondContact O-N 2.99Å; A240-T242 PolarHBondContact O-N 3.21Å
241K55.5Low78.1Confident64 Ų6461 Ų6128%0.27834%0.335SS..  trans-52.5139.1171.5-77175.7179164.90105.9A9 E114 V238 E239 S243A9-K241 PolarHBondContact O-NZ 2.83Å; E114-K241 IonicContact OE2-NZ 2.76Å; E114-K241 PolarHBondContact OE2-NZ 2.91Å; V238-K241 HydrophobicContact CG1-CD 4.24Å; V238-K241 HydrophobicContact CG1-CG 4Å; E239-K241 PolarHBondContact O-N 3.37Å; K241-S243 PolarHBondContact O-N 3.08Å
242T57.7Low78.3Confident127 Ų12767.1 Ų67.178%0.77936%0.364SS*.  trans-46.7110.9171.638.40000107.4A240 T244A240-T242 PolarHBondContact O-N 3.21Å; T242-T244 PolarHBondContact O-N 3.33Å
243S62.5Low78.7Confident22 Ų2271.2 Ų71.215%0.15438%0.383CS..  trans-70.4133.3-176.9164.30000107.6L201 K241L201-S243 WeakPolarHBondContact CD1-OG 3.29Å; L201-S243 WeakPolarHBondContact CD2-O 3.24Å; L201-S243 WeakPolarHBondContact CD2-OG 3.48Å; L201-S243 WeakPolarHBondContact CG-OG 3.13Å; K241-S243 PolarHBondContact O-N 3.08Å
244T80.2Confident79.1Confident72 Ų7271 Ų7144%0.44238%0.381SS..  trans-111.2143.1-174.554.60000109.3R13 H220 T242R13-T244 WeakPolarHBondContact CD-O 3.49Å; R13-T244 PolarHBondContact NH1-OG1 3.44Å; R13-T244 VanDerWaalsContact NH1-OG1 3.1Å; H220-T244 PolarHBondContact CE1-O 3.24Å; H220-T244 VanDerWaalsContact CE1-O 3.24Å; T242-T244 PolarHBondContact O-N 3.33Å
245S90.4Very high79.9Confident64 Ų6471.1 Ų71.145%0.44838%0.383SS..  trans-60.6158.2175.4-49.30000111.4S247S245-S247 PolarHBondContact O-N 3.44Å
246F94.2Very high81Confident21 Ų2168.1 Ų68.19%0.09237%0.367CS..  trans-58.9132.7170.3-88.5-96000111.1R13 A15 I108 H220 L222 A228 V230 Q248R13-F246 HydrophobicContact CB-CD1 3.73Å; R13-F246 HydrophobicContact CB-CD2 4.13Å; R13-F246 HydrophobicContact CB-CE1 3.81Å; R13-F246 HydrophobicContact CB-CE2 4.23Å; R13-F246 HydrophobicContact CB-CG 3.9Å; R13-F246 HydrophobicContact CB-CZ 4.08Å; R13-F246 HydrophobicContact CG-CE2 4.45Å; R13-F246 HydrophobicContact CG-CZ 4.38Å; A15-F246 HydrophobicContact CB-CB 4.21Å; A15-F246 HydrophobicContact CB-CD1 3.93Å; A15-F246 HydrophobicContact CB-CG 4.4Å; I108-F246 HydrophobicContact CB-CD1 4.44Å; I108-F246 HydrophobicContact CB-CE1 3.82Å; I108-F246 HydrophobicContact CB-CZ 4.44Å; I108-F246 HydrophobicContact CD1-CE1 4.13Å; I108-F246 HydrophobicContact CD1-CZ 3.88Å; I108-F246 HydrophobicContact CG2-CD1 4.44Å; I108-F246 HydrophobicContact CG2-CE1 4.22Å; H220-F246 HydrophobicContact CB-CD2 3.8Å; H220-F246 HydrophobicContact CB-CE2 4.04Å; H220-F246 AromaticContact CD2-CD2 3.96Å; H220-F246 AromaticContact CD2-CE2 3.62Å; H220-F246 AromaticContact CG-CD2 3.57Å; H220-F246 AromaticContact CG-CE2 3.7Å; H220-F246 AromaticContact ND1-CD2 3.72Å; L222-F246 HydrophobicContact CD2-CB 3.82Å; L222-F246 HydrophobicContact CD2-CD2 4.37Å; L222-F246 HydrophobicContact CD2-CG 4.18Å; A228-F246 HydrophobicContact CB-CE2 3.98Å; A228-F246 HydrophobicContact CB-CZ 4.37Å; V230-F246 HydrophobicContact CG2-CE2 3.69Å; V230-F246 HydrophobicContact CG2-CZ 3.55Å; F246-Q248 PolarHBondContact O-N 3.35Å
247S95.6Very high82.4Confident64 Ų6469.9 Ų69.945%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-79.4110.9168.2-164.50000109R13 E14 A15 S245 L249R13-S247 PolarHBondContact O-N 2.97Å; E14-S247 WeakPolarHBondContact CA-O 3.45Å; A15-S247 PolarHBondContact N-O 2.94Å; S245-S247 PolarHBondContact O-N 3.44Å; S247-L249 PolarHBondContact O-N 2.9Å
248Q97.3Very high84.3Confident94 Ų9462.6 Ų62.644%0.43934%0.34SS..EExtended strand (participates in β ladder)trans-80.1114.5174.4-175.6172.5-3400109.7A15 F246A15-Q248 CarbonylContact O-C 3.57Å; A15-Q248 WeakPolarHBondContact O-CA 3.36Å; F246-Q248 PolarHBondContact O-N 3.35Å
249L98.3Very high86.4Confident10 Ų1062.4 Ų62.45%0.05234%0.341CS..  trans-83.6142.5-174.9-56-177000111.8E14 A15 F16 L61 S247 Q253 L254E14-L249 HydrophobicContact CB-CD1 4.15Å; E14-L249 HydrophobicContact CB-CG 4.32Å; E14-L249 HydrophobicContact CG-CD1 4.44Å; E14-L249 HydrophobicContact CG-CD2 4.39Å; A15-L249 PolarHBondContact O-N 3.48Å; F16-L249 HydrophobicContact CD2-CB 4.29Å; F16-L249 VanDerWaalsContact CD2-O 3.32Å; F16-L249 WeakPolarHBondContact CD2-O 3.45Å; L61-L249 HydrophobicContact CD2-CD1 3.78Å; S247-L249 PolarHBondContact O-N 2.9Å; L249-Q253 HydrophobicContact CB-CB 4.18Å; L249-Q253 HydrophobicContact CD2-CB 4.25Å; L249-L254 HydrophobicContact CD1-CD1 4.43Å
250T98.2Very high88.6Confident65 Ų6558 Ų5840%0.39933%0.325SS..  trans-75.6169.9159.978.60000110.7E252 Q253 L254T250-E252 VanDerWaalsContact C-N 3.33Å; T250-E252 WeakPolarHBondContact CB-OE2 3.47Å; T250-E252 PolarHBondContact O-N 3.21Å; T250-E252 PolarHBondContact OG1-N 2.97Å; T250-E252 PolarHBondContact OG1-OE2 3.27Å; T250-Q253 PolarHBondContact O-N 3.26Å; T250-Q253 PolarHBondContact OG1-N 3.46Å; T250-L254 WeakPolarHBondContact O-CB 2.96Å; T250-L254 PolarHBondContact O-N 3.25Å
251F98.5Very high90.8Very high22 Ų2257.5 Ų57.510%0.09631%0.314CS..Hα-helixtrans-62.3-42.7176.8175.2-112.6000111.6F16 W21 D27 F30 S31 Q253 L254 V255F16-F251 HydrophobicContact CE2-CB 4.47Å; W21-F251 AromaticContact CH2-CD2 3.88Å; W21-F251 HydrophobicContact CH2-CD2 3.88Å; W21-F251 AromaticContact CH2-CE2 3.82Å; W21-F251 HydrophobicContact CH2-CE2 3.82Å; W21-F251 AromaticContact CZ2-CD2 3.29Å; W21-F251 HydrophobicContact CZ2-CD2 3.29Å; W21-F251 AromaticContact CZ2-CE2 3.53Å; W21-F251 HydrophobicContact CZ2-CE2 3.53Å; W21-F251 AromaticContact CZ2-CG 3.95Å; W21-F251 HydrophobicContact CZ2-CG 3.95Å; W21-F251 HydrophobicContact CZ2-CZ 4.34Å; D27-F251 HydrophobicContact CB-CD1 4.05Å; D27-F251 HydrophobicContact CB-CE1 3.48Å; D27-F251 VanDerWaalsContact CB-CE1 3.48Å; D27-F251 HydrophobicContact CB-CE2 4.15Å; D27-F251 HydrophobicContact CB-CZ 3.53Å; D27-F251 VanDerWaalsContact CG-CE1 3.46Å; D27-F251 WeakPolarHBondContact OD1-CE1 3.39Å; F30-F251 HydrophobicContact CD1-CZ 4.33Å; S31-F251 WeakPolarHBondContact OG-CE2 3.48Å; F251-Q253 VanDerWaalsContact C-N 3.28Å; F251-Q253 PolarHBondContact O-N 3.29Å; F251-L254 WeakPolarHBondContact O-CB 3.4Å; F251-L254 PolarHBondContact O-N 3.28Å; F251-L254 VanDerWaalsContact O-N 3.08Å; F251-V255 HydrophobicContact CD2-CG1 4.05Å; F251-V255 HydrophobicContact CE1-CG2 4.26Å; F251-V255 HydrophobicContact CE2-CG1 3.41Å; F251-V255 VanDerWaalsContact CE2-CG1 3.41Å; F251-V255 HydrophobicContact CE2-CG2 4.44Å; F251-V255 HydrophobicContact CZ-CG1 3.76Å; F251-V255 HydrophobicContact CZ-CG2 4.12Å; F251-V255 WeakPolarHBondContact O-CG2 2.98Å; F251-V255 PolarHBondContact O-N 3.05Å; F251-V255 VanDerWaalsContact O-N 3.08Å
252E98.3Very high92.8Very high128 Ų12855.5 Ų55.560%0.59831%0.308SS*.Hα-helixtrans-59.7-41.9178-5772-155.700110.7T250 D256T250-E252 VanDerWaalsContact C-N 3.33Å; T250-E252 WeakPolarHBondContact CB-OE2 3.47Å; T250-E252 PolarHBondContact O-N 3.21Å; T250-E252 PolarHBondContact OG1-N 2.97Å; T250-E252 PolarHBondContact OG1-OE2 3.27Å; E252-D256 PolarHBondContact O-N 2.66Å
253Q98.3Very high94.6Very high87 Ų8754.5 Ų54.541%0.40730%0.304SS..Hα-helixtrans-68.9-37175.5-68.2174.8-30.100112.3R64 L249 T250 F251 V255R64-Q253 VanDerWaalsContact CD-O 3.26Å; R64-Q253 WeakPolarHBondContact CD-O 3.25Å; R64-Q253 PolarHBondContact NE-O 3.01Å; L249-Q253 HydrophobicContact CB-CB 4.18Å; L249-Q253 HydrophobicContact CD2-CB 4.25Å; T250-Q253 PolarHBondContact O-N 3.26Å; T250-Q253 PolarHBondContact OG1-N 3.46Å; F251-Q253 VanDerWaalsContact C-N 3.28Å; F251-Q253 PolarHBondContact O-N 3.29Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 3.47Å
254L98.6Very high96.3Very high0 Ų054.8 Ų54.80%031%0.305CS..Hα-helixtrans-62.5-37.6179.3176.464000111.9F16 V57 L60 L61 R64 L249 T250 F251F16-L254 HydrophobicContact CD1-CD2 4.25Å; F16-L254 HydrophobicContact CD2-CB 4.08Å; F16-L254 HydrophobicContact CD2-CD2 3.74Å; F16-L254 HydrophobicContact CD2-CG 4.35Å; F16-L254 HydrophobicContact CE1-CD2 4.25Å; F16-L254 HydrophobicContact CE2-CB 4.11Å; F16-L254 HydrophobicContact CE2-CD2 3.73Å; F16-L254 HydrophobicContact CG-CD2 4Å; F16-L254 HydrophobicContact CZ-CD2 3.99Å; V57-L254 HydrophobicContact CG1-CD2 4.32Å; V57-L254 HydrophobicContact CG2-CD2 4.13Å; L60-L254 HydrophobicContact CB-CD1 3.84Å; L60-L254 HydrophobicContact CB-CD2 4.22Å; L60-L254 HydrophobicContact CB-CG 3.97Å; L60-L254 HydrophobicContact CD1-CD2 3.81Å; L60-L254 HydrophobicContact CD1-CG 4.21Å; L61-L254 HydrophobicContact CD2-CD1 3.7Å; L61-L254 HydrophobicContact CG-CD1 3.84Å; R64-L254 WeakPolarHBondContact CD-O 3.49Å; L249-L254 HydrophobicContact CD1-CD1 4.43Å; T250-L254 WeakPolarHBondContact O-CB 2.96Å; T250-L254 PolarHBondContact O-N 3.25Å; F251-L254 WeakPolarHBondContact O-CB 3.4Å; F251-L254 PolarHBondContact O-N 3.28Å; F251-L254 VanDerWaalsContact O-N 3.08Å
255V98.2Very high96.9Very high17 Ų1756 Ų5610%0.10331%0.308CS..Hα-helixtrans-103.10.4-175.7-53.20000114.4F30 L60 F251 Q253 K257 L258F30-V255 HydrophobicContact CD1-CB 4.16Å; F30-V255 HydrophobicContact CD1-CG1 4.32Å; F30-V255 HydrophobicContact CD1-CG2 4.06Å; F30-V255 HydrophobicContact CE1-CB 3.69Å; F30-V255 HydrophobicContact CE1-CG1 4.32Å; F30-V255 HydrophobicContact CE1-CG2 3.65Å; L60-V255 HydrophobicContact CD1-CG1 4.34Å; F251-V255 HydrophobicContact CD2-CG1 4.05Å; F251-V255 HydrophobicContact CE1-CG2 4.26Å; F251-V255 HydrophobicContact CE2-CG1 3.41Å; F251-V255 VanDerWaalsContact CE2-CG1 3.41Å; F251-V255 HydrophobicContact CE2-CG2 4.44Å; F251-V255 HydrophobicContact CZ-CG1 3.76Å; F251-V255 HydrophobicContact CZ-CG2 4.12Å; F251-V255 WeakPolarHBondContact O-CG2 2.98Å; F251-V255 PolarHBondContact O-N 3.05Å; F251-V255 VanDerWaalsContact O-N 3.08Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 3.47Å; V255-K257 PolarHBondContact O-N 2.93Å; V255-L258 WeakPolarHBondContact O-CB 3.19Å; V255-L258 PolarHBondContact O-N 3.32Å
256D97.7Very high97.1Very high71 Ų7157.6 Ų57.638%0.3831%0.312SS..THydrogen-bonded Turntrans-52.4132175.1-179.747.2000111.5R68 E252 L258R68-D256 IonicContact CZ-OD2 3.19Å; R68-D256 IonicContact NH1-OD2 3.33Å; R68-D256 PolarHBondContact NH1-OD2 3.43Å; E252-D256 PolarHBondContact O-N 2.66Å; D256-L258 PolarHBondContact O-N 2.88Å; D256-L258 VanDerWaalsContact O-N 3.15Å
257K97.2Very high97.2Very high124 Ų12459.9 Ų59.954%0.53933%0.328SS..THydrogen-bonded Turntrans61.34.5-174.6-53.2-176.2178.7-173.80116.5V67 R68 V255V67-K257 HydrophobicContact CG1-CB 3.79Å; V67-K257 HydrophobicContact CG1-CD 4.38Å; R68-K257 HydrophobicContact CG-CD 4.44Å; V255-K257 PolarHBondContact O-N 2.93Å
258L98.1Very high97.3Very high19 Ų1957 Ų5710%0.09931%0.308CS..  trans-78.6157.7170.6-57.3-171.2000110.8C34 L60 R63 R64 V67 V255 D256C34-L258 HydrophobicContact CB-CB 4.45Å; C34-L258 HydrophobicContact CB-CD1 4.38Å; L60-L258 HydrophobicContact CB-CD1 4.4Å; L60-L258 HydrophobicContact CD2-CD1 3.69Å; R63-L258 HydrophobicContact CB-CD1 4.45Å; R63-L258 HydrophobicContact CB-CD2 3.83Å; R64-L258 HydrophobicContact CB-CD2 4.45Å; V67-L258 HydrophobicContact CG2-CD2 4.25Å; V255-L258 WeakPolarHBondContact O-CB 3.19Å; V255-L258 PolarHBondContact O-N 3.32Å; D256-L258 PolarHBondContact O-N 2.88Å; D256-L258 VanDerWaalsContact O-N 3.15Å
259A97Very high97.3Very high25 Ų2554.3 Ų54.321%0.20729%0.294CS..  trans-136.2161.7-179.300000110.7C34 P74 L261C34-A259 WeakPolarHBondContact CA-O 3.5Å; P74-A259 HydrophobicContact CB-CB 4.05Å; P74-A259 HydrophobicContact CG-CB 3.58Å; A259-L261 PolarHBondContact O-N 3Å
260V97.8Very high97.3Very high64 Ų6457 Ų5739%0.38831%0.308SS..  trans-65.5114.7174.8176.50000109.6F30 N33 H75 P263F30-V260 HydrophobicContact CE2-CG2 4.25Å; N33-V260 HydrophobicContact CB-CB 4.34Å; N33-V260 HydrophobicContact CB-CG1 3.99Å; N33-V260 HydrophobicContact CB-CG2 3.99Å; N33-V260 CarbonylContact O-C 3.6Å; H75-V260 PolarHBondContact NE2-O 3.08Å; V260-P263 HydrophobicContact CG1-CG 4.12Å
261L97.2Very high97.2Very high47 Ų4757.9 Ų57.925%0.24631%0.308CS..SBendtrans-94.4-41.7174.6-61.9-173.1000112.2N33 C34 H75 A259N33-L261 PolarHBondContact O-N 2.95Å; C34-L261 VanDerWaalsContact O-CD1 3.28Å; C34-L261 WeakPolarHBondContact O-CD1 3.28Å; H75-L261 HydrophobicContact CB-CD2 4.44Å; A259-L261 PolarHBondContact O-N 3Å
262S96.9Very high97.2Very high22 Ų2257 Ų5715%0.15430%0.304CS..SBendtrans-144106.9-177-63.60000108.6N33 L35 Q40 V264N33-S262 WeakPolarHBondContact CA-O 3.46Å; N33-S262 PolarHBondContact O-N 3.37Å; N33-S262 VanDerWaalsContact O-N 3.13Å; N33-S262 PolarHBondContact OD1-O 3.04Å; L35-S262 WeakPolarHBondContact O-CB 3.38Å; Q40-S262 PolarHBondContact NE2-O 3.3Å; S262-V264 PolarHBondContact O-N 2.96Å
263P96.9Very high97.1Very high107 Ų10755.1 Ų55.170%0.69530%0.298SS*.PPolyproline II helixtrans-56.2126.8177.2-25.334.7000111.2N33 V260N33-P263 WeakPolarHBondContact OD1-CA 3.23Å; V260-P263 HydrophobicContact CG1-CG 4.12Å
264V96.8Very high97Very high27 Ų2759.5 Ų59.516%0.16431%0.31CS..PPolyproline II helixtrans-97.1144175.376.30000110.4L29 L32 N33 S262 A268L29-V264 HydrophobicContact CB-CG1 4.4Å; L29-V264 HydrophobicContact CD2-CG1 3.74Å; L32-V264 HydrophobicContact CB-CB 4.22Å; L32-V264 HydrophobicContact CB-CG1 3.86Å; L32-V264 HydrophobicContact CB-CG2 4.45Å; L32-V264 HydrophobicContact CD1-CG1 4.28Å; L32-V264 HydrophobicContact CD1-CG2 4.18Å; N33-V264 WeakPolarHBondContact OD1-CG1 3.34Å; N33-V264 PolarHBondContact OD1-N 3.33Å; S262-V264 PolarHBondContact O-N 2.96Å; V264-A268 HydrophobicContact CG2-CB 3.72Å
265D94Very high96.9Very high98 Ų9861.4 Ų61.452%0.52432%0.319SS..PPolyproline II helixtrans-68.5144.5174.8-175.8-91.8000111.8T267 A268D265-T267 PolarHBondContact O-N 2.82Å; D265-T267 VanDerWaalsContact O-N 3.12Å; D265-T267 WeakPolarHBondContact OD1-CA 3.46Å; D265-T267 WeakPolarHBondContact OD1-CB 3.32Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.36Å; D265-T267 PolarHBondContact OD1-N 2.87Å; D265-T267 PolarHBondContact OD1-OG1 3.41Å; D265-A268 VanDerWaalsContact O-CB 3.28Å; D265-A268 WeakPolarHBondContact O-CB 3.32Å; D265-A268 PolarHBondContact O-N 3.32Å
266N93.8Very high96.8Very high98 Ų9864.2 Ų64.252%0.52434%0.337SS..THydrogen-bonded Turntrans-60.1-24.2-178.5-79-33.7000113.6L29 A268 W269L29-N266 VanDerWaalsContact CD1-OD1 3.29Å; L29-N266 WeakPolarHBondContact CD1-OD1 3.15Å; N266-A268 PolarHBondContact O-N 3.35Å; N266-W269 WeakPolarHBondContact O-CB 3.38Å; N266-W269 PolarHBondContact O-N 2.91Å
267T96.1Very high96.5Very high69 Ų6965.6 Ų65.642%0.42334%0.341SS..Hα-helixtrans-64.9-18176.262.20000113.1D265 W269 D270 Q271D265-T267 PolarHBondContact O-N 2.82Å; D265-T267 VanDerWaalsContact O-N 3.12Å; D265-T267 WeakPolarHBondContact OD1-CA 3.46Å; D265-T267 WeakPolarHBondContact OD1-CB 3.32Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.36Å; D265-T267 PolarHBondContact OD1-N 2.87Å; D265-T267 PolarHBondContact OD1-OG1 3.41Å; T267-W269 PolarHBondContact O-N 2.95Å; T267-D270 PolarHBondContact O-N 2.93Å; T267-D270 VanDerWaalsContact O-N 3.16Å; T267-Q271 WeakPolarHBondContact O-CG 3.11Å; T267-Q271 PolarHBondContact O-N 3.24Å
268A97.6Very high95.9Very high4 Ų461.5 Ų61.53%0.03333%0.328CS..Hα-helixtrans-59.2-34.5174.500000111.9F28 L29 L32 L44 V264 D265 N266 Q271 F272F28-A268 HydrophobicContact CE1-CB 4.47Å; L29-A268 HydrophobicContact CD2-CB 4.36Å; L32-A268 HydrophobicContact CD1-CB 4.01Å; L44-A268 HydrophobicContact CD1-CB 4.21Å; V264-A268 HydrophobicContact CG2-CB 3.72Å; D265-A268 VanDerWaalsContact O-CB 3.28Å; D265-A268 WeakPolarHBondContact O-CB 3.32Å; D265-A268 PolarHBondContact O-N 3.32Å; N266-A268 PolarHBondContact O-N 3.35Å; A268-Q271 PolarHBondContact O-N 2.69Å; A268-F272 WeakPolarHBondContact O-CB 3.43Å; A268-F272 PolarHBondContact O-N 3.29Å
269W98.2Very high95Very high36 Ų3662.7 Ų62.714%0.13634%0.337CS..Hα-helixtrans-63.5-47.3174.3175.1-108.9000111.9P23 K25 F28 L29 N266 T267 Q271 F272 L273P23-W269 WeakPolarHBondContact O-CH2 3.32Å; K25-W269 HydrophobicContact CB-CD2 3.83Å; K25-W269 HydrophobicContact CB-CE3 4.37Å; K25-W269 HydrophobicContact CB-CG 4.11Å; K25-W269 HydrophobicContact CB-CZ2 4.11Å; K25-W269 HydrophobicContact CD-CB 4.33Å; K25-W269 HydrophobicContact CD-CD2 4.45Å; K25-W269 HydrophobicContact CD-CG 3.84Å; K25-W269 HydrophobicContact CG-CB 4.07Å; K25-W269 HydrophobicContact CG-CD2 3.83Å; K25-W269 HydrophobicContact CG-CG 3.59Å; F28-W269 HydrophobicContact CB-CE3 3.66Å; F28-W269 HydrophobicContact CB-CZ3 3.61Å; F28-W269 AromaticContact CD1-CE3 3.64Å; F28-W269 HydrophobicContact CD1-CE3 3.64Å; F28-W269 HydrophobicContact CD1-CZ3 4.31Å; F28-W269 HydrophobicContact CD2-CE3 4.5Å; F28-W269 HydrophobicContact CD2-CZ3 4.43Å; F28-W269 HydrophobicContact CE1-CE3 4.42Å; F28-W269 AromaticContact CG-CE3 3.67Å; F28-W269 HydrophobicContact CG-CE3 3.67Å; F28-W269 AromaticContact CG-CZ3 3.88Å; F28-W269 HydrophobicContact CG-CZ3 3.88Å; L29-W269 HydrophobicContact CD2-CB 4.27Å; N266-W269 WeakPolarHBondContact O-CB 3.38Å; N266-W269 PolarHBondContact O-N 2.91Å; T267-W269 PolarHBondContact O-N 2.95Å; W269-Q271 VanDerWaalsContact C-N 3.3Å; W269-Q271 PolarHBondContact O-N 3.28Å; W269-F272 AromaticContact CE3-CD1 3.98Å; W269-F272 HydrophobicContact CE3-CD1 3.98Å; W269-F272 HydrophobicContact CH2-CD1 4.48Å; W269-F272 HydrophobicContact CH2-CE1 4.49Å; W269-F272 AromaticContact CZ3-CD1 3.74Å; W269-F272 HydrophobicContact CZ3-CD1 3.74Å; W269-F272 AromaticContact CZ3-CE1 3.94Å; W269-F272 HydrophobicContact CZ3-CE1 3.94Å; W269-F272 WeakPolarHBondContact O-CB 3.27Å; W269-F272 PolarHBondContact O-N 3.29Å; W269-F272 VanDerWaalsContact O-N 3.16Å; W269-L273 HydrophobicContact CD2-CD1 4.36Å; W269-L273 HydrophobicContact CD2-CG 4.24Å; W269-L273 HydrophobicContact CH2-CD2 3.93Å; W269-L273 HydrophobicContact CH2-CG 4.4Å; W269-L273 HydrophobicContact CZ2-CD1 3.77Å; W269-L273 HydrophobicContact CZ2-CD2 3.73Å; W269-L273 HydrophobicContact CZ2-CG 3.9Å; W269-L273 VanDerWaalsContact NE1-CD1 3.29Å; W269-L273 PolarHBondContact O-N 2.84Å
270D97.5Very high93.8Very high67 Ų6767.4 Ų67.436%0.35837%0.365SS..Hα-helixtrans-67.8-34.4-179.5-54.4-41.1000111.3T267 R274T267-D270 PolarHBondContact O-N 2.93Å; T267-D270 VanDerWaalsContact O-N 3.16Å; D270-R274 WeakPolarHBondContact O-CG 3.37Å; D270-R274 PolarHBondContact O-N 2.84Å; D270-R274 PolarHBondContact O-NH1 3.45Å
271Q96.7Very high92.2Very high83 Ų8368.2 Ų68.239%0.38837%0.374SS..Hα-helixtrans-63.5-40.9172.2-70.6176.134.900112.1T267 A268 W269 R274T267-Q271 WeakPolarHBondContact O-CG 3.11Å; T267-Q271 PolarHBondContact O-N 3.24Å; A268-Q271 PolarHBondContact O-N 2.69Å; W269-Q271 VanDerWaalsContact C-N 3.3Å; W269-Q271 PolarHBondContact O-N 3.28Å; Q271-R274 VanDerWaalsContact CG-NH2 3.28Å
272F97.5Very high90.1Very high5 Ų569 Ų692%0.02238%0.384CS..Hα-helixtrans-65.1-46.8176.3169.7-104000111.8P23 F28 Q49 V52 L53 A268 W269 R274 K275P23-F272 HydrophobicContact CG-CE1 4.29Å; P23-F272 HydrophobicContact CG-CZ 4.42Å; F28-F272 HydrophobicContact CD2-CD1 4.08Å; F28-F272 HydrophobicContact CD2-CD2 4.32Å; F28-F272 HydrophobicContact CD2-CE1 4.23Å; F28-F272 HydrophobicContact CD2-CE2 4.44Å; F28-F272 HydrophobicContact CD2-CG 4.13Å; F28-F272 HydrophobicContact CD2-CZ 4.41Å; F28-F272 HydrophobicContact CE1-CB 3.88Å; F28-F272 HydrophobicContact CE1-CG 4.27Å; F28-F272 HydrophobicContact CE2-CB 3.94Å; F28-F272 AromaticContact CE2-CD1 3.93Å; F28-F272 HydrophobicContact CE2-CD1 3.93Å; F28-F272 AromaticContact CE2-CD2 3.47Å; F28-F272 HydrophobicContact CE2-CD2 3.47Å; F28-F272 VanDerWaalsContact CE2-CD2 3.47Å; F28-F272 HydrophobicContact CE2-CE1 4.3Å; F28-F272 AromaticContact CE2-CE2 3.88Å; F28-F272 HydrophobicContact CE2-CE2 3.88Å; F28-F272 AromaticContact CE2-CG 3.49Å; F28-F272 HydrophobicContact CE2-CG 3.49Å; F28-F272 VanDerWaalsContact CE2-CG 3.49Å; F28-F272 HydrophobicContact CE2-CZ 4.28Å; F28-F272 HydrophobicContact CZ-CB 3.45Å; F28-F272 VanDerWaalsContact CZ-CB 3.45Å; F28-F272 HydrophobicContact CZ-CD1 4.25Å; F28-F272 AromaticContact CZ-CD2 3.82Å; F28-F272 HydrophobicContact CZ-CD2 3.82Å; F28-F272 AromaticContact CZ-CG 3.58Å; F28-F272 HydrophobicContact CZ-CG 3.58Å; Q49-F272 HydrophobicContact CB-CD2 4.31Å; Q49-F272 HydrophobicContact CB-CE2 3.48Å; Q49-F272 VanDerWaalsContact CB-CE2 3.48Å; Q49-F272 HydrophobicContact CB-CZ 3.75Å; Q49-F272 HydrophobicContact CG-CD2 4.07Å; Q49-F272 HydrophobicContact CG-CE1 4.44Å; Q49-F272 HydrophobicContact CG-CE2 3.63Å; Q49-F272 HydrophobicContact CG-CZ 3.83Å; Q49-F272 PolarHBondContact NE2-O 2.98Å; V52-F272 HydrophobicContact CB-CD2 4.23Å; V52-F272 HydrophobicContact CB-CE2 4.28Å; V52-F272 HydrophobicContact CG1-CD2 4.03Å; V52-F272 HydrophobicContact CG1-CE2 4.34Å; L53-F272 HydrophobicContact CD1-CZ 4.23Å; L53-F272 HydrophobicContact CD2-CE2 3.96Å; L53-F272 HydrophobicContact CD2-CZ 3.91Å; L53-F272 HydrophobicContact CG-CE2 4.04Å; L53-F272 HydrophobicContact CG-CZ 4.1Å; A268-F272 WeakPolarHBondContact O-CB 3.43Å; A268-F272 PolarHBondContact O-N 3.29Å; W269-F272 AromaticContact CE3-CD1 3.98Å; W269-F272 HydrophobicContact CE3-CD1 3.98Å; W269-F272 HydrophobicContact CH2-CD1 4.48Å; W269-F272 HydrophobicContact CH2-CE1 4.49Å; W269-F272 AromaticContact CZ3-CD1 3.74Å; W269-F272 HydrophobicContact CZ3-CD1 3.74Å; W269-F272 AromaticContact CZ3-CE1 3.94Å; W269-F272 HydrophobicContact CZ3-CE1 3.94Å; W269-F272 WeakPolarHBondContact O-CB 3.27Å; W269-F272 PolarHBondContact O-N 3.29Å; W269-F272 VanDerWaalsContact O-N 3.16Å; F272-R274 PolarHBondContact O-N 3.29Å; F272-K275 WeakPolarHBondContact O-CB 3.46Å; F272-K275 PolarHBondContact O-N 2.92Å
273L97Very high88.5Confident88 Ų8873.9 Ų73.946%0.46140%0.399SS..Hα-helixtrans-62.7-28.7179.9-73-174.8000113.7W269 K275W269-L273 HydrophobicContact CD2-CD1 4.36Å; W269-L273 HydrophobicContact CD2-CG 4.24Å; W269-L273 HydrophobicContact CH2-CD2 3.93Å; W269-L273 HydrophobicContact CH2-CG 4.4Å; W269-L273 HydrophobicContact CZ2-CD1 3.77Å; W269-L273 HydrophobicContact CZ2-CD2 3.73Å; W269-L273 HydrophobicContact CZ2-CG 3.9Å; W269-L273 VanDerWaalsContact NE1-CD1 3.29Å; W269-L273 PolarHBondContact O-N 2.84Å; L273-K275 PolarHBondContact O-N 3.02Å
274R97Very high86.8Confident179 Ų17975 Ų7568%0.67540%0.395SS*.THydrogen-bonded Turntrans-71-15.1175.2-74.5-171.5-64.2-92.58.1113.9D270 Q271 F272D270-R274 WeakPolarHBondContact O-CG 3.37Å; D270-R274 PolarHBondContact O-N 2.84Å; D270-R274 PolarHBondContact O-NH1 3.45Å; Q271-R274 VanDerWaalsContact CG-NH2 3.28Å; F272-R274 PolarHBondContact O-N 3.29Å
275K96Very high85.3Confident39 Ų3981 Ų8117%0.1741%0.414CS..SBendtrans-78.8141.4179.7-64.1170.9-171.1-73.40110.2L44 F46 Q49 V52 F272 L273L44-K275 WeakPolarHBondContact O-CE 3.39Å; L44-K275 PolarHBondContact O-NZ 3.31Å; F46-K275 WeakPolarHBondContact O-CE 3.43Å; F46-K275 PolarHBondContact O-NZ 3.45Å; Q49-K275 HydrophobicContact CG-CB 3.88Å; Q49-K275 WeakPolarHBondContact CG-O 3.32Å; Q49-K275 PolarHBondContact NE2-O 3.09Å; V52-K275 HydrophobicContact CG2-CD 3.78Å; F272-K275 WeakPolarHBondContact O-CB 3.46Å; F272-K275 PolarHBondContact O-N 2.92Å; L273-K275 PolarHBondContact O-N 3.02Å
276P95.3Very high83.9Confident76 Ų7677.8 Ų77.849%0.49440%0.397SS..  trans-60.7150.9167.424.6-31.6000111.1Y48 Q49Y48-P276 WeakPolarHBondContact CA-O 3.24Å; Y48-P276 HydrophobicContact CD1-CB 4.11Å; Y48-P276 HydrophobicContact CD1-CG 3.59Å; Y48-P276 HydrophobicContact CE1-CB 4.32Å; Y48-P276 HydrophobicContact CE1-CG 3.69Å; Q49-P276 PolarHBondContact N-O 2.81Å
277H91.4Very high82.3Confident100 Ų10081 Ų8146%0.46341%0.409SS..SBendtrans-59.2-53.5-175.6178.5-97.7000112.6Q49 R50Q49-H277 PolarHBondContact N-O 2.92Å; R50-H277 WeakPolarHBondContact CB-O 3.31Å; R50-H277 PolarHBondContact N-O 3.2Å
278S86Confident80.3Confident39 Ų3982.2 Ų82.227%0.27342%0.416SS..SBendtrans-148.8163.2-178.658.60000110.2Y48Y48-S278 WeakPolarHBondContact CD1-O 3.34Å
279P79Confident77.8Confident43 Ų4392.2 Ų92.228%0.27947%0.469SS..  trans-54.6150.7169.4-18.626.9000110.9Y48 S281Y48-P279 HydrophobicContact CD1-CG 4.31Å; Y48-P279 VanDerWaalsContact CD1-N 3.31Å; Y48-P279 HydrophobicContact CD2-CG 3.72Å; Y48-P279 VanDerWaalsContact CE1-CA 3.43Å; Y48-P279 HydrophobicContact CE1-CB 4.19Å; Y48-P279 HydrophobicContact CE1-CG 4.2Å; Y48-P279 HydrophobicContact CE2-CB 4.12Å; Y48-P279 HydrophobicContact CE2-CG 3.59Å; Y48-P279 HydrophobicContact CG-CG 4.09Å; P279-S281 PolarHBondContact O-N 3.44Å
280P70.5Confident76.8Confident124 Ų12495.1 Ų95.181%0.80549%0.486SS*.  trans-54.4112.4166.5-2030.8000108.8
281S64Low75.7Confident81 Ų8196.5 Ų96.557%0.56649%0.492SS*.  trans-102.9120.9178-179.30000109.2P279 R283P279-S281 PolarHBondContact O-N 3.44Å; S281-R283 WeakPolarHBondContact OG-CB 3.37Å; S281-R283 WeakPolarHBondContact OG-CG 3.42Å; S281-R283 PolarHBondContact OG-N 3.08Å
282S54.7Low74.5Confident65 Ų6597.3 Ų97.346%0.45550%0.498SS..  trans-101.520.7164.251.70000112A128A128-S282 WeakPolarHBondContact CB-OG 3.24Å
283R61.5Low73.2Confident123 Ų123102.7 Ų102.746%0.46453%0.526SS..PPolyproline II helixtrans-70.6137.9176.9-58.1-175.4-176.3-167.9-3.4110E125 A128 S281E125-R283 HydrophobicContact CG-CB 4.45Å; E125-R283 WeakPolarHBondContact OE1-CD 3.1Å; E125-R283 IonicContact OE1-CZ 3.63Å; E125-R283 IonicContact OE1-NE 3.95Å; E125-R283 IonicContact OE1-NH1 2.7Å; E125-R283 PolarHBondContact OE1-NH1 2.78Å; A128-R283 HydrophobicContact CB-CG 4.33Å; S281-R283 WeakPolarHBondContact OG-CB 3.37Å; S281-R283 WeakPolarHBondContact OG-CG 3.42Å; S281-R283 PolarHBondContact OG-N 3.08Å
284Q61.8Low71.7Confident131 Ų131103.6 Ų103.661%0.61253%0.53SS*.EExtended strand (participates in β ladder)trans-94.5117.1176.8-70.7179.5-9.700109.1L126 I286L126-Q284 PolarHBondContact N-O 3.14Å; L126-Q284 PolarHBondContact O-N 3.25Å; Q284-I286 PolarHBondContact O-N 3.36Å
285R65.5Low70Confident153 Ų15398.6 Ų98.658%0.57752%0.521SS*.EExtended strand (participates in β ladder)trans-66.9118.9164.5-74.2-175.5177.4-178.5-3.3107.2D105 Q287D105-R285 IonicContact OD2-NH2 3.33Å; D105-R285 PolarHBondContact OD2-NH2 3.3Å; R285-Q287 PolarHBondContact O-N 2.91Å
286I64.7Low68.2Low30 Ų30102.9 Ų102.915%0.15455%0.546CS..PPolyproline II helixtrans-79.8120.5171.6-62.6165.3000106.8L126 V133 A159 M162 N225 Q284L126-I286 HydrophobicContact CB-CD1 4.07Å; L126-I286 HydrophobicContact CB-CG1 4.37Å; V133-I286 HydrophobicContact CG2-CD1 4.03Å; A159-I286 HydrophobicContact CB-CG2 3.45Å; A159-I286 VanDerWaalsContact CB-CG2 3.45Å; M162-I286 HydrophobicContact CB-CD1 3.77Å; M162-I286 HydrophobicContact CG-CD1 3.31Å; N225-I286 PolarHBondContact ND2-O 2.87Å; Q284-I286 PolarHBondContact O-N 3.36Å
287Q59.4Low66.1Low165 Ų165104.9 Ų104.977%0.77155%0.55SS*.PPolyproline II helixtrans-69.4134.6171.7-70.4-178.4-36.100108.5R285R285-Q287 PolarHBondContact O-N 2.91Å
288V54.8Low64Low96 Ų96105.3 Ų105.358%0.58256%0.557SS**PPolyproline II helixtrans-84.1121.5166.3-1720000105
289D45.7Very low62Low214 Ų214111.4 Ų111.4100%1.14458%0.583SS**  trans-58.80173.3-68.5-31.1000111.6

Retrieved 289 of 289 residues in 261.2 ms (Link to these results)

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