A0A060XTV9_ONCMY Loading...

Laforin

AlphaFold DB , UniProt , Accession A0A060XTV9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 316 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
1M95.2Very high96.1Very high52 Ų5222.7 Ų22.726%0.25611%0.111SC..  0150.60-177.7177-66.800110.7Y3 H58 L59 C63 Y94 L99M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE2 3.93Å; M1-Y3 HydrophobicContact CG-CD2 4.15Å; M1-Y3 HydrophobicContact CG-CE2 3.81Å; M1-Y3 HydrophobicContact SD-CE2 3.69Å; M1-H58 PolarHBondContact O-ND1 2.89Å; M1-L59 PolarHBondContact N-O 3.37Å; M1-L59 PolarHBondContact O-N 2.99Å; M1-C63 HydrophobicContact CB-CB 4.18Å; M1-C63 WeakPolarHBondContact CB-SG 3.36Å; M1-Y94 HydrophobicContact CE-CE2 4.15Å; M1-Y94 HydrophobicContact SD-CE2 3.85Å; M1-L99 HydrophobicContact SD-CD2 4.24Å
2L98.1Very high95.2Very high66 Ų6629.7 Ų29.735%0.34614%0.143SC..EExtended strand (participates in β ladder)trans-85.4126.7174-168.468.7000110D56 H58 V103 Y104L2-D56 HydrophobicContact CD1-CB 4.08Å; L2-D56 HydrophobicContact CD2-CB 4.45Å; L2-D56 HydrophobicContact CG-CB 4.36Å; L2-H58 HydrophobicContact CD1-CB 4.37Å; L2-V103 HydrophobicContact CB-CG1 4.34Å; L2-V103 HydrophobicContact CD2-CG1 4.12Å; L2-V103 HydrophobicContact CD2-CG2 3.94Å; L2-V103 HydrophobicContact CG-CG1 4.14Å; L2-Y104 PolarHBondContact O-N 2.94Å
3Y98.6Very high94.4Very high2 Ų230.4 Ų30.41%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-113.2131.7178.5-86.1-122.9000109.9M1 F5 D56 V57 L59 C63 L67 Y94 Y104M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE2 3.93Å; M1-Y3 HydrophobicContact CG-CD2 4.15Å; M1-Y3 HydrophobicContact CG-CE2 3.81Å; M1-Y3 HydrophobicContact SD-CE2 3.69Å; Y3-F5 HydrophobicContact CD1-CE1 4.4Å; Y3-F5 HydrophobicContact CD1-CE2 4.49Å; Y3-F5 AromaticContact CD1-CZ 3.82Å; Y3-F5 HydrophobicContact CD1-CZ 3.82Å; Y3-F5 HydrophobicContact CG-CZ 4.32Å; Y3-D56 CarbonylContact O-C 3.44Å; Y3-D56 VanDerWaalsContact O-CA 3.28Å; Y3-D56 WeakPolarHBondContact O-CA 3.43Å; Y3-V57 PolarHBondContact N-O 3.05Å; Y3-V57 PolarHBondContact O-N 2.78Å; Y3-L59 HydrophobicContact CD1-CD1 3.71Å; Y3-L59 HydrophobicContact CD2-CB 4.36Å; Y3-L59 HydrophobicContact CD2-CD1 3.62Å; Y3-L59 HydrophobicContact CD2-CG 3.97Å; Y3-L59 HydrophobicContact CE1-CD1 3.93Å; Y3-L59 HydrophobicContact CE2-CD1 3.89Å; Y3-L59 HydrophobicContact CG-CD1 3.56Å; Y3-L59 HydrophobicContact CG-CG 4.08Å; Y3-C63 PolarHBondContact OH-O 3.18Å; Y3-L67 HydrophobicContact CE1-CD2 4.48Å; Y3-Y94 VanDerWaalsContact OH-CD2 3.31Å; Y3-Y94 WeakPolarHBondContact OH-CD2 3.43Å; Y3-Y104 CarbonylContact C-O 3.59Å; Y3-Y104 VanDerWaalsContact CA-O 3.31Å; Y3-Y104 WeakPolarHBondContact CA-O 3.5Å; Y3-Y104 AromaticContact CD1-CD1 3.32Å; Y3-Y104 HydrophobicContact CD1-CD1 3.32Å; Y3-Y104 AromaticContact CD1-CE1 3.92Å; Y3-Y104 HydrophobicContact CD1-CE1 3.92Å; Y3-Y104 HydrophobicContact CD1-CG 4.02Å; Y3-Y104 HydrophobicContact CD2-CD1 4.48Å; Y3-Y104 HydrophobicContact CD2-CG 4.44Å; Y3-Y104 AromaticContact CE1-CD1 3.23Å; Y3-Y104 HydrophobicContact CE1-CD1 3.23Å; Y3-Y104 HydrophobicContact CE1-CD2 4.4Å; Y3-Y104 AromaticContact CE1-CE1 3.59Å; Y3-Y104 HydrophobicContact CE1-CE1 3.59Å; Y3-Y104 AromaticContact CE1-CG 3.7Å; Y3-Y104 HydrophobicContact CE1-CG 3.7Å; Y3-Y104 HydrophobicContact CE2-CD1 4.37Å; Y3-Y104 HydrophobicContact CE2-CG 4.11Å; Y3-Y104 AromaticContact CG-CD1 3.98Å; Y3-Y104 HydrophobicContact CG-CD1 3.98Å; Y3-Y104 HydrophobicContact CG-CG 4.37Å; Y3-Y104 AromaticContact CZ-CD1 3.78Å; Y3-Y104 AromaticContact CZ-CG 3.72Å
4R98.8Very high93.3Very high70 Ų7033.7 Ų33.726%0.26418%0.177SC..EExtended strand (participates in β ladder)trans-106.8128.2172.1-179.1167.8-70.5163.22.5109.7A55 D56 V103 Y104 H106 Y277R4-A55 WeakPolarHBondContact CA-O 3.17Å; R4-D56 VanDerWaalsContact CB-OD1 3.26Å; R4-D56 WeakPolarHBondContact CB-OD1 3.46Å; R4-D56 VanDerWaalsContact CG-OD1 3.27Å; R4-D56 WeakPolarHBondContact CG-OD1 3.22Å; R4-D56 IonicContact CZ-OD1 2.61Å; R4-D56 IonicContact CZ-OD2 3.21Å; R4-D56 IonicContact NE-OD1 3.25Å; R4-D56 PolarHBondContact NE-OD1 3.16Å; R4-D56 IonicContact NE-OD2 3.99Å; R4-D56 IonicContact NH2-OD1 2.67Å; R4-D56 PolarHBondContact NH2-OD1 3.14Å; R4-D56 IonicContact NH2-OD2 3.36Å; R4-D56 PolarHBondContact NH2-OD2 3.13Å; R4-V103 HydrophobicContact CB-CG1 3.98Å; R4-Y104 PolarHBondContact N-O 3.07Å; R4-H106 PolarHBondContact O-N 2.91Å; R4-Y277 HydrophobicContact CG-CD1 4.33Å; R4-Y277 HydrophobicContact CG-CE1 3.56Å; R4-Y277 PolarHBondContact O-OH 3.34Å
5F98.8Very high92.7Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-114.8142.8174.3-59.1-79.7000109.6Y3 V20 M27 M38 I54 A55 V57 L67 L69 F71 H106Y3-F5 HydrophobicContact CD1-CE1 4.4Å; Y3-F5 HydrophobicContact CD1-CE2 4.49Å; Y3-F5 AromaticContact CD1-CZ 3.82Å; Y3-F5 HydrophobicContact CD1-CZ 3.82Å; Y3-F5 HydrophobicContact CG-CZ 4.32Å; F5-V20 HydrophobicContact CB-CG2 4.18Å; F5-V20 HydrophobicContact CD2-CG1 4.39Å; F5-V20 HydrophobicContact CD2-CG2 4.41Å; F5-V20 HydrophobicContact CG-CG2 4.19Å; F5-M27 HydrophobicContact CD2-CE 4.42Å; F5-M27 HydrophobicContact CE2-CE 3.96Å; F5-M27 HydrophobicContact CE2-SD 4.23Å; F5-M27 HydrophobicContact CZ-CE 4.07Å; F5-M27 HydrophobicContact CZ-SD 4.23Å; F5-M38 WeakPolarHBondContact O-CE 3.44Å; F5-I54 VanDerWaalsContact O-CA 3.26Å; F5-I54 WeakPolarHBondContact O-CA 3.22Å; F5-A55 PolarHBondContact N-O 3.24Å; F5-A55 PolarHBondContact O-N 3.15Å; F5-V57 HydrophobicContact CD2-CG2 4.06Å; F5-V57 HydrophobicContact CE2-CB 4.25Å; F5-V57 HydrophobicContact CE2-CG2 4.05Å; F5-L67 HydrophobicContact CZ-CD1 4.42Å; F5-L69 HydrophobicContact CD1-CD1 4.34Å; F5-L69 HydrophobicContact CD1-CD2 3.99Å; F5-L69 HydrophobicContact CE1-CD2 3.59Å; F5-L69 HydrophobicContact CZ-CD2 4.46Å; F5-F71 HydrophobicContact CB-CE1 4.19Å; F5-F71 HydrophobicContact CB-CZ 4.4Å; F5-H106 HydrophobicContact CD1-CB 3.66Å; F5-H106 AromaticContact CD1-CD2 3.93Å; F5-H106 HydrophobicContact CE1-CB 3.9Å
6G98.6Very high92.6Very high0 Ų038.8 Ų38.80%021%0.205CC..EExtended strand (participates in β ladder)trans-138.5137-179.900000112.3W53 I108 G109 Y277G6-W53 CarbonylContact C-O 3.56Å; G6-W53 VanDerWaalsContact CA-O 3.23Å; G6-W53 WeakPolarHBondContact CA-O 3.42Å; G6-I108 WeakPolarHBondContact O-CA 3.43Å; G6-G109 PolarHBondContact O-N 2.75Å; G6-Y277 PolarHBondContact N-OH 3.43Å
7V98.6Very high92.7Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-133.7136.5174.567.90000111.3L9 V18 M38 W53 F71 G109 W111V7-L9 HydrophobicContact CG1-CD2 4.34Å; V7-V18 HydrophobicContact CG1-CG1 3.78Å; V7-M38 HydrophobicContact CG1-CE 4.04Å; V7-M38 HydrophobicContact CG1-SD 3.96Å; V7-W53 HydrophobicContact CG1-CB 4.18Å; V7-W53 PolarHBondContact N-O 3.12Å; V7-W53 PolarHBondContact O-N 2.96Å; V7-F71 HydrophobicContact CB-CB 4.49Å; V7-F71 HydrophobicContact CB-CD1 3.87Å; V7-F71 HydrophobicContact CB-CD2 3.6Å; V7-F71 HydrophobicContact CB-CE1 3.93Å; V7-F71 HydrophobicContact CB-CE2 3.67Å; V7-F71 HydrophobicContact CB-CG 3.71Å; V7-F71 HydrophobicContact CB-CZ 3.84Å; V7-F71 HydrophobicContact CG1-CB 4.29Å; V7-F71 HydrophobicContact CG1-CD1 3.77Å; V7-F71 HydrophobicContact CG1-CD2 4.25Å; V7-F71 HydrophobicContact CG1-CE1 4.14Å; V7-F71 HydrophobicContact CG1-CG 3.83Å; V7-F71 HydrophobicContact CG2-CB 4.36Å; V7-F71 HydrophobicContact CG2-CD2 3.54Å; V7-F71 HydrophobicContact CG2-CE2 3.93Å; V7-F71 HydrophobicContact CG2-CG 3.9Å; V7-G109 CarbonylContact C-O 3.24Å; V7-G109 VanDerWaalsContact CA-O 3.29Å; V7-G109 WeakPolarHBondContact CA-O 3.37Å; V7-W111 HydrophobicContact CG2-CB 4.47Å
8I97.7Very high93Very high9 Ų938.4 Ų38.45%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-100131173.1-59.4164.3000108.8P50 C51 L52 I108 G109 H110 W111 T280 A284I8-P50 HydrophobicContact CG2-CB 3.77Å; I8-C51 WeakPolarHBondContact CA-O 3.47Å; I8-L52 HydrophobicContact CG1-CB 4.39Å; I8-L52 HydrophobicContact CG1-CD1 4.1Å; I8-I108 HydrophobicContact CD1-CG2 3.71Å; I8-I108 HydrophobicContact CG1-CG2 3.66Å; I8-G109 PolarHBondContact N-O 2.87Å; I8-H110 WeakPolarHBondContact CD1-NE2 3.31Å; I8-W111 PolarHBondContact O-N 2.62Å; I8-T280 HydrophobicContact CD1-CG2 3.52Å; I8-T280 HydrophobicContact CG1-CG2 3.9Å; I8-A284 HydrophobicContact CG2-CB 4.44Å
9L94.7Very high93.3Very high11 Ų1137 Ų376%0.05819%0.193CC..EExtended strand (participates in β ladder)trans-149.2161.816763.7108.5000111V7 V18 P50 C51 W53 W111V7-L9 HydrophobicContact CG1-CD2 4.34Å; L9-V18 HydrophobicContact CD2-CG1 4.2Å; L9-V18 HydrophobicContact CD2-CG2 3.93Å; L9-P50 WeakPolarHBondContact O-CA 3.44Å; L9-C51 PolarHBondContact N-O 2.99Å; L9-C51 PolarHBondContact O-N 2.9Å; L9-W53 HydrophobicContact CD1-CH2 4.12Å; L9-W53 HydrophobicContact CD1-CZ3 4.06Å; L9-W53 HydrophobicContact CD2-CE3 4.21Å; L9-W53 HydrophobicContact CD2-CZ3 4.28Å; L9-W53 HydrophobicContact CG-CE3 4.03Å; L9-W53 HydrophobicContact CG-CH2 4.2Å; L9-W53 HydrophobicContact CG-CZ3 3.62Å; L9-W53 WeakPolarHBondContact O-CZ3 3.33Å; L9-W111 HydrophobicContact CB-CB 3.78Å; L9-W111 HydrophobicContact CB-CG 4.38Å; L9-W111 HydrophobicContact CD2-CD2 4.5Å; L9-W111 HydrophobicContact CD2-CE3 3.89Å
10T91.7Very high93.5Very high39 Ų3935.2 Ų35.224%0.23918%0.183CC..  trans-93.5113.7171.1-55.20000107.9E12 M47T10-E12 PolarHBondContact O-N 2.96Å; T10-M47 WeakPolarHBondContact CG2-O 3.29Å
11P86.9Confident93.8Very high1 Ų133.5 Ų33.51%0.00618%0.175CC..  trans-69.4130.3-173.727.7-33.6000111.1C13 V16 V44 E49 W53P11-C13 VanDerWaalsContact C-N 3.27Å; P11-C13 PolarHBondContact O-N 3.22Å; P11-V16 HydrophobicContact CB-CG1 3.5Å; P11-V16 VanDerWaalsContact CB-CG1 3.5Å; P11-V44 HydrophobicContact CG-CB 4.48Å; P11-V44 HydrophobicContact CG-CG1 3.68Å; P11-V44 HydrophobicContact CG-CG2 3.91Å; P11-E49 WeakPolarHBondContact CD-O 3.27Å; P11-W53 HydrophobicContact CB-CH2 3.99Å; P11-W53 HydrophobicContact CB-CZ2 4.48Å; P11-W53 HydrophobicContact CG-CH2 4.12Å
12E84.8Confident93.9Very high106 Ų10631 Ų3150%0.49516%0.162SC..SBendtrans-74.6-20.2176.2-57.1105.8133.500113.1T10 K73T10-E12 PolarHBondContact O-N 2.96Å; E12-K73 IonicContact OE1-NZ 3.08Å; E12-K73 PolarHBondContact OE1-NZ 3.42Å; E12-K73 IonicContact OE2-NZ 3.82Å; E12-K73 PolarHBondContact OE2-NZ 3.28Å
13C84.4Confident93.9Very high39 Ų3929.6 Ų29.626%0.26416%0.158SC..SBendtrans-149.6159.417664.30000111.3P11 D15 V16P11-C13 VanDerWaalsContact C-N 3.27Å; P11-C13 PolarHBondContact O-N 3.22Å; C13-D15 PolarHBondContact O-N 2.62Å; C13-V16 PolarHBondContact O-N 2.88Å
14P79.9Confident93.9Very high77 Ų7731.4 Ų31.450%0.517%0.165SC..THydrogen-bonded Turntrans-62.9-26.4-177.6-2434.9000115
15D83.8Confident93.8Very high137 Ų13732.6 Ų32.673%0.73318%0.182SC*.THydrogen-bonded Turntrans-99.614.8-171.9-58-39.4000112.9C13 E17C13-D15 PolarHBondContact O-N 2.62Å; D15-E17 PolarHBondContact O-N 2.67Å
16V90.8Very high93.8Very high12 Ų1235.2 Ų35.27%0.07319%0.194CC..  trans-62.9124.1176.469.80000110.4P11 C13 V18 W53 K73 V75P11-V16 HydrophobicContact CB-CG1 3.5Å; P11-V16 VanDerWaalsContact CB-CG1 3.5Å; C13-V16 PolarHBondContact O-N 2.88Å; V16-V18 HydrophobicContact CG2-CG2 4.47Å; V16-W53 HydrophobicContact CG1-CH2 4.36Å; V16-W53 HydrophobicContact CG1-CZ2 3.84Å; V16-K73 HydrophobicContact CG2-CB 3.94Å; V16-K73 HydrophobicContact CG2-CD 4.2Å; V16-K73 HydrophobicContact CG2-CG 4.49Å; V16-V75 HydrophobicContact CG2-CG2 4.07Å
17E94.7Very high93.8Very high70 Ų7035.2 Ų35.233%0.32719%0.194SC..EExtended strand (participates in β ladder)trans-100.7136.1172.1-65.5171.9100.400108.8D15 F19 L37 K73 R74D15-E17 PolarHBondContact O-N 2.67Å; E17-F19 HydrophobicContact CB-CE2 3.58Å; E17-F19 HydrophobicContact CB-CZ 3.79Å; E17-L37 HydrophobicContact CB-CD1 4.24Å; E17-K73 CarbonylContact O-C 3.53Å; E17-K73 WeakPolarHBondContact O-CA 3.37Å; E17-K73 WeakPolarHBondContact O-CB 3.44Å; E17-R74 HydrophobicContact CB-CB 4.35Å; E17-R74 PolarHBondContact O-N 3Å; E17-R74 IonicContact OE1-CZ 3.24Å; E17-R74 IonicContact OE1-NH2 3.08Å; E17-R74 PolarHBondContact OE1-NH2 3.35Å; E17-R74 IonicContact OE2-CZ 3.11Å; E17-R74 IonicContact OE2-NE 3.8Å; E17-R74 PolarHBondContact OE2-NE 3.31Å; E17-R74 IonicContact OE2-NH2 3.92Å; E17-R74 PolarHBondContact OE2-NH2 2.95Å
18V97.6Very high93.7Very high0 Ų035.6 Ų35.60%020%0.198CC..EExtended strand (participates in β ladder)trans-121140.4-177.3-172.60000108.1V7 L9 V16 M38 W53 I72V7-V18 HydrophobicContact CG1-CG1 3.78Å; L9-V18 HydrophobicContact CD2-CG1 4.2Å; L9-V18 HydrophobicContact CD2-CG2 3.93Å; V16-V18 HydrophobicContact CG2-CG2 4.47Å; V18-M38 HydrophobicContact CB-CB 4.46Å; V18-M38 HydrophobicContact CB-SD 4.47Å; V18-M38 HydrophobicContact CG1-SD 3.74Å; V18-M38 WeakPolarHBondContact O-CA 3.38Å; V18-M38 VanDerWaalsContact O-CB 3.27Å; V18-M38 WeakPolarHBondContact O-CB 3.39Å; V18-M38 PolarHBondContact O-N 3.39Å; V18-W53 HydrophobicContact CB-CB 4.2Å; V18-W53 HydrophobicContact CB-CD2 4.28Å; V18-W53 HydrophobicContact CB-CG 3.77Å; V18-W53 HydrophobicContact CG1-CB 4.29Å; V18-W53 HydrophobicContact CG1-CG 4.3Å; V18-W53 HydrophobicContact CG2-CD2 3.73Å; V18-W53 HydrophobicContact CG2-CE3 4.42Å; V18-W53 HydrophobicContact CG2-CG 3.76Å; V18-W53 HydrophobicContact CG2-CZ2 4.21Å; V18-I72 CarbonylContact C-O 3.56Å; V18-I72 WeakPolarHBondContact CA-O 3.46Å
19F98.6Very high93.7Very high12 Ų1241 Ų415%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-133154.4-176.6-50.2-105000109.8E17 A35 V36 L37 F71 I72 R74 F79E17-F19 HydrophobicContact CB-CE2 3.58Å; E17-F19 HydrophobicContact CB-CZ 3.79Å; F19-A35 HydrophobicContact CB-CB 3.74Å; F19-A35 HydrophobicContact CD1-CB 4.3Å; F19-A35 HydrophobicContact CG-CB 4.29Å; F19-V36 CarbonylContact C-O 3.58Å; F19-V36 WeakPolarHBondContact CA-O 3.44Å; F19-V36 WeakPolarHBondContact CB-O 3.49Å; F19-L37 HydrophobicContact CD1-CB 3.96Å; F19-L37 HydrophobicContact CD1-CD1 3.99Å; F19-L37 HydrophobicContact CE1-CB 3.86Å; F19-L37 HydrophobicContact CE1-CD1 3.44Å; F19-L37 VanDerWaalsContact CE1-CD1 3.44Å; F19-L37 HydrophobicContact CE1-CG 4.23Å; F19-L37 HydrophobicContact CE2-CD1 4.32Å; F19-L37 HydrophobicContact CZ-CD1 3.61Å; F19-F71 WeakPolarHBondContact O-CA 3.39Å; F19-I72 HydrophobicContact CB-CD1 4.25Å; F19-I72 HydrophobicContact CB-CG1 3.69Å; F19-I72 HydrophobicContact CD2-CG1 4.14Å; F19-I72 HydrophobicContact CG-CG1 4.26Å; F19-I72 PolarHBondContact N-O 2.88Å; F19-I72 PolarHBondContact O-N 2.89Å; F19-R74 HydrophobicContact CE2-CB 3.88Å; F19-F79 HydrophobicContact CD2-CE1 4.23Å; F19-F79 HydrophobicContact CE2-CE1 4.07Å; F19-F79 HydrophobicContact CZ-CE1 4.46Å
20V98.7Very high93.8Very high0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-115.3137.5167.465.80000109.1F5 M27 V36 M38 A55 V57 L69 F71F5-V20 HydrophobicContact CB-CG2 4.18Å; F5-V20 HydrophobicContact CD2-CG1 4.39Å; F5-V20 HydrophobicContact CD2-CG2 4.41Å; F5-V20 HydrophobicContact CG-CG2 4.19Å; V20-M27 HydrophobicContact CG2-CE 3.65Å; V20-V36 HydrophobicContact CG1-CB 3.95Å; V20-V36 PolarHBondContact N-O 3.29Å; V20-V36 PolarHBondContact O-N 3.14Å; V20-M38 HydrophobicContact CB-CG 4.38Å; V20-M38 HydrophobicContact CB-SD 4.07Å; V20-M38 HydrophobicContact CG1-CG 4.36Å; V20-A55 HydrophobicContact CG1-CB 3.87Å; V20-V57 HydrophobicContact CG1-CG2 4.41Å; V20-L69 HydrophobicContact CG2-CD1 4Å; V20-F71 HydrophobicContact CB-CD1 3.89Å; V20-F71 HydrophobicContact CB-CE1 3.89Å; V20-F71 HydrophobicContact CG2-CD1 3.92Å; V20-F71 HydrophobicContact CG2-CE1 3.66Å
21L98.5Very high94.2Very high0 Ų044.6 Ų44.60%024%0.236CC..EExtended strand (participates in β ladder)trans-145.7167.5176.368.5103.9000110.1M27 W30 A35 L69 K70 I72 W81L21-M27 WeakPolarHBondContact CA-O 3.29Å; L21-M27 VanDerWaalsContact CB-O 3.23Å; L21-M27 WeakPolarHBondContact CB-O 3.47Å; L21-W30 HydrophobicContact CD1-CB 4.42Å; L21-W30 HydrophobicContact CD1-CD2 4.23Å; L21-W30 HydrophobicContact CD1-CE3 3.39Å; L21-W30 HydrophobicContact CD1-CZ3 4.01Å; L21-A35 HydrophobicContact CB-CB 3.79Å; L21-A35 HydrophobicContact CD2-CB 3.84Å; L21-A35 HydrophobicContact CG-CB 4.48Å; L21-L69 CarbonylContact O-C 3.57Å; L21-L69 WeakPolarHBondContact O-CA 3.39Å; L21-L69 WeakPolarHBondContact O-CB 2.99Å; L21-K70 PolarHBondContact N-O 3.3Å; L21-K70 PolarHBondContact O-N 2.61Å; L21-I72 HydrophobicContact CD2-CB 4.23Å; L21-I72 HydrophobicContact CD2-CD1 3.39Å; L21-I72 HydrophobicContact CD2-CG1 3.69Å; L21-I72 HydrophobicContact CD2-CG2 3.48Å; L21-I72 VanDerWaalsContact CD2-CG2 3.48Å; L21-I72 HydrophobicContact CG-CG2 4.5Å; L21-W81 HydrophobicContact CD1-CH2 3.5Å; L21-W81 VanDerWaalsContact CD1-CH2 3.5Å; L21-W81 HydrophobicContact CD1-CZ3 3.61Å; L21-W81 HydrophobicContact CD2-CH2 4.11Å; L21-W81 HydrophobicContact CD2-CZ3 4.24Å; L21-W81 HydrophobicContact CG-CH2 4.42Å; L21-W81 HydrophobicContact CG-CZ3 4.36Å
22G98Very high94.6Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-177.9-165.3-178.200000114.5R24 M27 H29 W30 W68G22-R24 PolarHBondContact O-N 3.12Å; G22-M27 PolarHBondContact N-O 3.33Å; G22-M27 VanDerWaalsContact N-O 3.14Å; G22-H29 CarbonylContact O-C 3.45Å; G22-H29 WeakPolarHBondContact O-CA 3.24Å; G22-H29 PolarHBondContact O-N 3.26Å; G22-W30 PolarHBondContact O-N 2.99Å; G22-W68 CarbonylContact C-O 3.45Å; G22-W68 WeakPolarHBondContact CA-O 3.45Å
23S98.1Very high95.2Very high37 Ų3746.9 Ų46.926%0.25925%0.253SS..SBendtrans-66.8-18.4-17762.10000114H29 W68S23-H29 PolarHBondContact O-CE1 2.95Å; S23-H29 PolarHBondContact O-ND1 3.45Å; S23-W68 PolarHBondContact N-O 3.22Å; S23-W68 PolarHBondContact OG-N 3.42Å; S23-W68 PolarHBondContact OG-O 3.14Å
24R97.9Very high95.8Very high40 Ų4049.8 Ų49.815%0.15127%0.266CS..SBendtrans-79.6138.8-179-66.8-55.9-58.4-152-10.2111.6G22 E26 M27 G28 H29 L59 A60 P62 L67G22-R24 PolarHBondContact O-N 3.12Å; R24-E26 WeakPolarHBondContact CB-OE2 3.5Å; R24-E26 IonicContact NE-OE2 3.43Å; R24-E26 PolarHBondContact NE-OE2 2.92Å; R24-E26 IonicContact NH2-OE1 3.4Å; R24-E26 PolarHBondContact NH2-OE1 3.14Å; R24-E26 IonicContact NH2-OE2 3.87Å; R24-E26 PolarHBondContact O-N 2.96Å; R24-M27 HydrophobicContact CB-CB 4.29Å; R24-M27 HydrophobicContact CB-CG 4.07Å; R24-M27 HydrophobicContact CB-SD 4.09Å; R24-M27 HydrophobicContact CG-SD 4.38Å; R24-M27 CarbonylContact O-C 3.51Å; R24-M27 WeakPolarHBondContact O-CA 3.29Å; R24-M27 PolarHBondContact O-N 2.98Å; R24-G28 PolarHBondContact O-N 2.94Å; R24-H29 PolarHBondContact O-N 3.16Å; R24-H29 VanDerWaalsContact O-N 3.16Å; R24-L59 HydrophobicContact CB-CD2 4.34Å; R24-L59 HydrophobicContact CG-CD2 4.35Å; R24-A60 PolarHBondContact NH2-O 3.43Å; R24-A60 VanDerWaalsContact NH2-O 3.07Å; R24-P62 PolarHBondContact NH1-O 3.05Å; R24-P62 VanDerWaalsContact NH1-O 3.16Å; R24-L67 HydrophobicContact CG-CB 3.85Å; R24-L67 HydrophobicContact CG-CD2 3.93Å; R24-L67 HydrophobicContact CG-CG 4.39Å
25P97.6Very high96.7Very high94 Ų9446.9 Ų46.961%0.6125%0.248SC*.G310 helixtrans-54-37.6174-26.934.4000113.6M27 G28P25-M27 PolarHBondContact O-N 2.87Å; P25-M27 VanDerWaalsContact O-N 3.14Å; P25-G28 PolarHBondContact O-N 2.91Å
26E98.1Very high97.4Very high55 Ų5542.1 Ų42.126%0.25722%0.224SC..G310 helixtrans-67-12.6178.6-51.194.8140.700112.9R24 V57 L59 A60R24-E26 WeakPolarHBondContact CB-OE2 3.5Å; R24-E26 IonicContact NE-OE2 3.43Å; R24-E26 PolarHBondContact NE-OE2 2.92Å; R24-E26 IonicContact NH2-OE1 3.4Å; R24-E26 PolarHBondContact NH2-OE1 3.14Å; R24-E26 IonicContact NH2-OE2 3.87Å; R24-E26 PolarHBondContact O-N 2.96Å; E26-V57 HydrophobicContact CB-CG1 3.98Å; E26-L59 HydrophobicContact CB-CD2 4.1Å; E26-A60 WeakPolarHBondContact OE1-CB 3.43Å; E26-A60 PolarHBondContact OE1-N 3.42Å
27M98Very high97.8Very high0 Ų046.1 Ų46.10%024%0.244CC..G310 helixtrans-114.420.4177.8-57.3177.570.800111.4F5 V20 L21 G22 R24 P25 H29 V57 L59 L67 L69F5-M27 HydrophobicContact CD2-CE 4.42Å; F5-M27 HydrophobicContact CE2-CE 3.96Å; F5-M27 HydrophobicContact CE2-SD 4.23Å; F5-M27 HydrophobicContact CZ-CE 4.07Å; F5-M27 HydrophobicContact CZ-SD 4.23Å; V20-M27 HydrophobicContact CG2-CE 3.65Å; L21-M27 WeakPolarHBondContact CA-O 3.29Å; L21-M27 VanDerWaalsContact CB-O 3.23Å; L21-M27 WeakPolarHBondContact CB-O 3.47Å; G22-M27 PolarHBondContact N-O 3.33Å; G22-M27 VanDerWaalsContact N-O 3.14Å; R24-M27 HydrophobicContact CB-CB 4.29Å; R24-M27 HydrophobicContact CB-CG 4.07Å; R24-M27 HydrophobicContact CB-SD 4.09Å; R24-M27 HydrophobicContact CG-SD 4.38Å; R24-M27 CarbonylContact O-C 3.51Å; R24-M27 WeakPolarHBondContact O-CA 3.29Å; R24-M27 PolarHBondContact O-N 2.98Å; P25-M27 PolarHBondContact O-N 2.87Å; P25-M27 VanDerWaalsContact O-N 3.14Å; M27-H29 VanDerWaalsContact C-N 3.35Å; M27-H29 PolarHBondContact O-N 2.96Å; M27-V57 HydrophobicContact CG-CG1 4.04Å; M27-L59 HydrophobicContact CG-CD2 4.45Å; M27-L59 HydrophobicContact SD-CD2 4.46Å; M27-L67 HydrophobicContact SD-CD1 4.13Å; M27-L69 HydrophobicContact CE-CB 3.8Å
28G97.4Very high97.9Very high9 Ų943.1 Ų43.19%0.09323%0.23CC..G310 helixtrans81.91.2174.200000115.9R24 P25 W30 D31 N34R24-G28 PolarHBondContact O-N 2.94Å; P25-G28 PolarHBondContact O-N 2.91Å; G28-W30 VanDerWaalsContact C-N 3.29Å; G28-W30 PolarHBondContact O-N 3.37Å; G28-D31 VanDerWaalsContact O-CB 3.29Å; G28-D31 WeakPolarHBondContact O-CB 3.5Å; G28-D31 PolarHBondContact O-N 2.93Å; G28-N34 WeakPolarHBondContact CA-O 3.46Å
29H97.4Very high97.9Very high122 Ų12250.9 Ų50.957%0.56526%0.264SS*.G310 helixtrans48.450.7179.8-156.788.4000112.8G22 S23 R24 M27 D31G22-H29 CarbonylContact O-C 3.45Å; G22-H29 WeakPolarHBondContact O-CA 3.24Å; G22-H29 PolarHBondContact O-N 3.26Å; S23-H29 PolarHBondContact O-CE1 2.95Å; S23-H29 PolarHBondContact O-ND1 3.45Å; R24-H29 PolarHBondContact O-N 3.16Å; R24-H29 VanDerWaalsContact O-N 3.16Å; M27-H29 VanDerWaalsContact C-N 3.35Å; M27-H29 PolarHBondContact O-N 2.96Å; H29-D31 VanDerWaalsContact C-N 3.26Å; H29-D31 PolarHBondContact O-N 3.28Å
30W98.1Very high97.6Very high71 Ų7156.1 Ų56.127%0.26928%0.283SS..G310 helixtrans68.36.4-176-53.5107.9000117.3L21 G22 G28 P32 W68 K70 W81 D89L21-W30 HydrophobicContact CD1-CB 4.42Å; L21-W30 HydrophobicContact CD1-CD2 4.23Å; L21-W30 HydrophobicContact CD1-CE3 3.39Å; L21-W30 HydrophobicContact CD1-CZ3 4.01Å; G22-W30 PolarHBondContact O-N 2.99Å; G28-W30 VanDerWaalsContact C-N 3.29Å; G28-W30 PolarHBondContact O-N 3.37Å; W30-P32 WeakPolarHBondContact O-CD 3.33Å; W30-W68 HydrophobicContact CH2-CB 4.02Å; W30-W68 HydrophobicContact CZ2-CB 3.57Å; W30-K70 HydrophobicContact CZ3-CB 4.09Å; W30-K70 HydrophobicContact CZ3-CD 4.47Å; W30-K70 HydrophobicContact CZ3-CG 4.08Å; W30-W81 HydrophobicContact CE3-CH2 4.18Å; W30-W81 AromaticContact CE3-CZ3 3.88Å; W30-W81 HydrophobicContact CE3-CZ3 3.88Å; W30-W81 HydrophobicContact CZ3-CZ3 4.2Å; W30-D89 HydrophobicContact CH2-CB 4.31Å
31D98.1Very high97.3Very high55 Ų5558.1 Ų58.129%0.29430%0.295SS..  trans-87.4114.9172.4-177.4-2.2000111.6G28 H29 N33 N34 A35G28-D31 VanDerWaalsContact O-CB 3.29Å; G28-D31 WeakPolarHBondContact O-CB 3.5Å; G28-D31 PolarHBondContact O-N 2.93Å; H29-D31 VanDerWaalsContact C-N 3.26Å; H29-D31 PolarHBondContact O-N 3.28Å; D31-N33 PolarHBondContact O-N 3.26Å; D31-N33 VanDerWaalsContact O-N 3.16Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 3.49Å; D31-N33 PolarHBondContact OD1-ND2 3.03Å; D31-N34 HydrophobicContact CB-CB 4.37Å; D31-N34 CarbonylContact O-C 3.44Å; D31-N34 PolarHBondContact O-N 3.11Å; D31-N34 PolarHBondContact OD2-ND2 3.43Å; D31-A35 PolarHBondContact O-N 3.1Å
32P97.3Very high96.7Very high26 Ų2660.9 Ų60.917%0.16931%0.309CS..G310 helixtrans-56.3-29.1177.3-28.338.1000114.9W30 N34 A35 I72 F79 W81W30-P32 WeakPolarHBondContact O-CD 3.33Å; P32-N34 PolarHBondContact O-N 2.88Å; P32-A35 VanDerWaalsContact O-CB 3.3Å; P32-A35 WeakPolarHBondContact O-CB 3.31Å; P32-A35 PolarHBondContact O-N 3.07Å; P32-I72 HydrophobicContact CB-CD1 3.76Å; P32-I72 HydrophobicContact CG-CD1 4.43Å; P32-F79 HydrophobicContact CB-CB 4.46Å; P32-F79 HydrophobicContact CB-CD1 4.29Å; P32-F79 HydrophobicContact CB-CD2 3.5Å; P32-F79 HydrophobicContact CB-CE1 4.36Å; P32-F79 HydrophobicContact CB-CE2 3.61Å; P32-F79 HydrophobicContact CB-CG 3.85Å; P32-F79 HydrophobicContact CB-CZ 4.03Å; P32-F79 HydrophobicContact CG-CD2 4.43Å; P32-W81 HydrophobicContact CG-CH2 4.5Å; P32-W81 HydrophobicContact CG-CZ2 3.57Å
33N96.4Very high95.9Very high129 Ų12965.6 Ų65.669%0.6934%0.337SS*.G310 helixtrans-72.8-20.4-179.7-58.6-66.3000112.4D31D31-N33 PolarHBondContact O-N 3.26Å; D31-N33 VanDerWaalsContact O-N 3.16Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 3.49Å; D31-N33 PolarHBondContact OD1-ND2 3.03Å
34N97.6Very high94.7Very high100 Ų10065.4 Ų65.454%0.53533%0.334SS..G310 helixtrans-107.411.2177.2-65.6-52000112.1G28 D31 P32G28-N34 WeakPolarHBondContact CA-O 3.46Å; D31-N34 HydrophobicContact CB-CB 4.37Å; D31-N34 CarbonylContact O-C 3.44Å; D31-N34 PolarHBondContact O-N 3.11Å; D31-N34 PolarHBondContact OD2-ND2 3.43Å; P32-N34 PolarHBondContact O-N 2.88Å
35A98.2Very high93.4Very high16 Ų1670.4 Ų70.413%0.13236%0.363CS..PPolyproline II helixtrans-67.7148.417700000111.6F19 L21 D31 P32 L37 I72F19-A35 HydrophobicContact CB-CB 3.74Å; F19-A35 HydrophobicContact CD1-CB 4.3Å; F19-A35 HydrophobicContact CG-CB 4.29Å; L21-A35 HydrophobicContact CB-CB 3.79Å; L21-A35 HydrophobicContact CD2-CB 3.84Å; L21-A35 HydrophobicContact CG-CB 4.48Å; D31-A35 PolarHBondContact O-N 3.1Å; P32-A35 VanDerWaalsContact O-CB 3.3Å; P32-A35 WeakPolarHBondContact O-CB 3.31Å; P32-A35 PolarHBondContact O-N 3.07Å; A35-L37 PolarHBondContact O-N 3.31Å; A35-I72 HydrophobicContact CB-CD1 4.08Å
36V98.6Very high92.3Very high36 Ų3667.8 Ų67.822%0.21835%0.347CS..EExtended strand (participates in β ladder)trans-83.7117.7-178.4-176.30000109.7F19 V20 M38 A55 V57F19-V36 CarbonylContact C-O 3.58Å; F19-V36 WeakPolarHBondContact CA-O 3.44Å; F19-V36 WeakPolarHBondContact CB-O 3.49Å; V20-V36 HydrophobicContact CG1-CB 3.95Å; V20-V36 PolarHBondContact N-O 3.29Å; V20-V36 PolarHBondContact O-N 3.14Å; V36-M38 PolarHBondContact O-N 2.66Å; V36-A55 HydrophobicContact CG1-CB 4.05Å; V36-V57 HydrophobicContact CB-CG2 4.31Å; V36-V57 HydrophobicContact CG1-CG2 4.14Å; V36-V57 HydrophobicContact CG2-CG2 4.02Å
37L98.2Very high91.4Very high96 Ų9670.8 Ų70.850%0.50336%0.363SS..EExtended strand (participates in β ladder)trans-62.8129.6176.3179.366.9000111.2E17 F19 A35E17-L37 HydrophobicContact CB-CD1 4.24Å; F19-L37 HydrophobicContact CD1-CB 3.96Å; F19-L37 HydrophobicContact CD1-CD1 3.99Å; F19-L37 HydrophobicContact CE1-CB 3.86Å; F19-L37 HydrophobicContact CE1-CD1 3.44Å; F19-L37 VanDerWaalsContact CE1-CD1 3.44Å; F19-L37 HydrophobicContact CE1-CG 4.23Å; F19-L37 HydrophobicContact CE2-CD1 4.32Å; F19-L37 HydrophobicContact CZ-CD1 3.61Å; A35-L37 PolarHBondContact O-N 3.31Å
38M98.3Very high90.4Very high7 Ų778 Ų783%0.03439%0.39CS..PPolyproline II helixtrans-96.4148.8177.6-52-178.978.500111.5F5 V7 V18 V20 V36 W53 I54 A55 F71F5-M38 WeakPolarHBondContact O-CE 3.44Å; V7-M38 HydrophobicContact CG1-CE 4.04Å; V7-M38 HydrophobicContact CG1-SD 3.96Å; V18-M38 HydrophobicContact CB-CB 4.46Å; V18-M38 HydrophobicContact CB-SD 4.47Å; V18-M38 HydrophobicContact CG1-SD 3.74Å; V18-M38 WeakPolarHBondContact O-CA 3.38Å; V18-M38 VanDerWaalsContact O-CB 3.27Å; V18-M38 WeakPolarHBondContact O-CB 3.39Å; V18-M38 PolarHBondContact O-N 3.39Å; V20-M38 HydrophobicContact CB-CG 4.38Å; V20-M38 HydrophobicContact CB-SD 4.07Å; V20-M38 HydrophobicContact CG1-CG 4.36Å; V36-M38 PolarHBondContact O-N 2.66Å; M38-W53 HydrophobicContact CB-CB 3.86Å; M38-W53 HydrophobicContact CB-CG 4.49Å; M38-W53 HydrophobicContact CE-CB 4.19Å; M38-W53 VanDerWaalsContact CE-O 3.27Å; M38-W53 WeakPolarHBondContact CE-O 3.39Å; M38-W53 HydrophobicContact SD-CB 4.27Å; M38-I54 CarbonylContact C-O 3.49Å; M38-I54 WeakPolarHBondContact CA-O 3.33Å; M38-A55 HydrophobicContact CB-CB 4.22Å; M38-A55 HydrophobicContact CE-CB 4.43Å; M38-A55 HydrophobicContact CG-CB 3.71Å; M38-F71 HydrophobicContact CE-CD1 4.02Å; M38-F71 HydrophobicContact CE-CE1 3.66Å; M38-F71 HydrophobicContact SD-CD1 3.59Å; M38-F71 VanDerWaalsContact SD-CD1 3.59Å; M38-F71 HydrophobicContact SD-CE1 3.87Å
39K96.4Very high89.8Confident163 Ų16379.7 Ų79.771%0.70940%0.395SS*.EExtended strand (participates in β ladder)trans-103.1130.8177.4-66.5179.2-177.8176.40110.1W53 I54K39-W53 CarbonylContact O-C 3.56Å; K39-W53 WeakPolarHBondContact O-CA 3.32Å; K39-I54 PolarHBondContact N-O 2.66Å; K39-I54 PolarHBondContact O-N 3.35Å
40R93.6Very high89.6Confident123 Ų12374.9 Ų74.946%0.46438%0.375SS..EExtended strand (participates in β ladder)trans-64.4141.5168.864.1-174.3-179.1-169.5-0.5110.9Q42 W53R40-Q42 WeakPolarHBondContact CD-O 3.23Å; R40-Q42 WeakPolarHBondContact CG-O 3.21Å; R40-W53 HydrophobicContact CB-CD2 4.49Å
41T92.3Very high89.4Confident41 Ų4171.7 Ų71.725%0.25236%0.363SS..SBendtrans-84.9-22.3179.451.50000113.2L52 I54 A281T41-L52 HydrophobicContact CG2-CB 4.3Å; T41-L52 HydrophobicContact CG2-CD2 3.92Å; T41-L52 HydrophobicContact CG2-CG 3.96Å; T41-L52 WeakPolarHBondContact CG2-O 3.21Å; T41-L52 PolarHBondContact N-O 3.2Å; T41-L52 WeakPolarHBondContact OG1-CB 3.49Å; T41-L52 PolarHBondContact OG1-O 3.02Å; T41-I54 HydrophobicContact CG2-CD1 3.98Å; T41-I54 HydrophobicContact CG2-CG1 4.02Å; T41-I54 HydrophobicContact CG2-CG2 4.09Å; T41-A281 HydrophobicContact CG2-CB 3.95Å
42Q86.1Confident89.3Confident59 Ų5969.1 Ų69.128%0.27635%0.349SS..SBendtrans-135.4160.2177.6-60.6-163.2-35.600111.3R40 A281 R282R40-Q42 WeakPolarHBondContact CD-O 3.23Å; R40-Q42 WeakPolarHBondContact CG-O 3.21Å; Q42-A281 WeakPolarHBondContact CG-O 3.39Å; Q42-A281 PolarHBondContact NE2-O 2.79Å; Q42-R282 VanDerWaalsContact NE2-CA 3.28Å; Q42-R282 PolarHBondContact NE2-O 3.2Å
43V80.6Confident89.4Confident98 Ų9868.2 Ų68.259%0.59434%0.343SS*.  trans-72.3133.1168.7-178.40000108.1L45V43-L45 HydrophobicContact CG1-CD2 4.29Å; V43-L45 PolarHBondContact O-N 3.25Å
44V72.3Confident89.5Confident33 Ų3364.1 Ų64.120%0.232%0.32CS..  trans-73.7106.4175.3-179.30000108.1P11 S46P11-V44 HydrophobicContact CG-CB 4.48Å; P11-V44 HydrophobicContact CG-CG1 3.68Å; P11-V44 HydrophobicContact CG-CG2 3.91Å; V44-S46 WeakPolarHBondContact CG1-O 3.25Å
45L70.8Confident89.5Confident146 Ų14659.7 Ų59.776%0.76430%0.297SS*.  trans-89.6-21.3176.7-61.5178.2000112.1V43V43-L45 HydrophobicContact CG1-CD2 4.29Å; V43-L45 PolarHBondContact O-N 3.25Å
46S75Confident89.5Confident39 Ų3962.2 Ų62.227%0.27331%0.309SS..  trans-149.6140.6-176.21750000110.2V44 R48 E49V44-S46 WeakPolarHBondContact CG1-O 3.25Å; S46-R48 PolarHBondContact O-N 3.41Å; S46-R48 PolarHBondContact OG-N 2.68Å; S46-R48 VanDerWaalsContact OG-N 3.12Å; S46-E49 WeakPolarHBondContact CB-OE1 3.07Å; S46-E49 PolarHBondContact O-N 3.4Å
47M78.1Confident89.5Confident118 Ų11860.9 Ų60.958%0.58130%0.3SS*.THydrogen-bonded Turntrans-74.74.7171.7-61.2-178.4-66.400112.8T10T10-M47 WeakPolarHBondContact CG2-O 3.29Å
48R77.7Confident89.5Confident152 Ų15262.9 Ų62.957%0.57431%0.307SS*.THydrogen-bonded Turntrans-106.4-4.5174.5-59-175.4-179.7-173.6-1.2112.7S46S46-R48 PolarHBondContact O-N 3.41Å; S46-R48 PolarHBondContact OG-N 2.68Å; S46-R48 VanDerWaalsContact OG-N 3.12Å
49E85.1Confident89.5Confident44 Ų4462.6 Ų62.621%0.20631%0.306CS..SBendtrans-97125.5179-76.1170.9-140.800109.2P11 S46 F127 H138P11-E49 WeakPolarHBondContact CD-O 3.27Å; S46-E49 WeakPolarHBondContact CB-OE1 3.07Å; S46-E49 PolarHBondContact O-N 3.4Å; E49-F127 HydrophobicContact CG-CD2 4.32Å; E49-F127 HydrophobicContact CG-CE2 4.03Å; E49-H138 IonicContact OE1-CD2 3.96Å; E49-H138 IonicContact OE1-NE2 2.62Å; E49-H138 PolarHBondContact OE1-NE2 2.92Å; E49-H138 IonicContact OE2-NE2 2.75Å; E49-H138 PolarHBondContact OE2-NE2 2.99Å
50P92.9Very high89.5Confident21 Ų2157.4 Ų57.414%0.13629%0.293CS..  trans-63.9150.1169.228.4-33.6000109.4I8 L9 A284 A285I8-P50 HydrophobicContact CG2-CB 3.77Å; L9-P50 WeakPolarHBondContact O-CA 3.44Å; P50-A284 HydrophobicContact CB-CB 4.49Å; P50-A284 WeakPolarHBondContact O-CB 3.39Å; P50-A285 HydrophobicContact CG-CB 3.67Å
51C93.9Very high89.5Confident4 Ų458.1 Ų58.13%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-130.3154.7173.4-172.30000109.6I8 L9 W53I8-C51 WeakPolarHBondContact CA-O 3.47Å; L9-C51 PolarHBondContact N-O 2.99Å; L9-C51 PolarHBondContact O-N 2.9Å; C51-W53 VanDerWaalsContact C-CZ3 3.47Å; C51-W53 HydrophobicContact CB-CE3 4.2Å; C51-W53 HydrophobicContact CB-CH2 3.59Å; C51-W53 HydrophobicContact CB-CZ2 4.46Å; C51-W53 HydrophobicContact CB-CZ3 3.44Å; C51-W53 VanDerWaalsContact CB-CZ3 3.44Å; C51-W53 VanDerWaalsContact O-CE3 3.26Å; C51-W53 WeakPolarHBondContact O-CZ3 3.29Å
52L97.1Very high89.6Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-101.4127.2175.5168.468.1000109.2I8 T41 I54 I108 T280 A281 A284I8-L52 HydrophobicContact CG1-CB 4.39Å; I8-L52 HydrophobicContact CG1-CD1 4.1Å; T41-L52 HydrophobicContact CG2-CB 4.3Å; T41-L52 HydrophobicContact CG2-CD2 3.92Å; T41-L52 HydrophobicContact CG2-CG 3.96Å; T41-L52 WeakPolarHBondContact CG2-O 3.21Å; T41-L52 PolarHBondContact N-O 3.2Å; T41-L52 WeakPolarHBondContact OG1-CB 3.49Å; T41-L52 PolarHBondContact OG1-O 3.02Å; L52-I54 HydrophobicContact CD1-CG2 4.16Å; L52-I54 HydrophobicContact CD2-CG2 4.02Å; L52-I54 HydrophobicContact CG-CG2 3.91Å; L52-I108 HydrophobicContact CD1-CD1 3.98Å; L52-I108 HydrophobicContact CD1-CG1 4.26Å; L52-I108 HydrophobicContact CD1-CG2 3.68Å; L52-I108 HydrophobicContact CD2-CD1 3.8Å; L52-T280 HydrophobicContact CB-CG2 4.07Å; L52-T280 HydrophobicContact CD1-CG2 4.43Å; L52-T280 HydrophobicContact CD2-CG2 3.82Å; L52-T280 HydrophobicContact CG-CG2 4.33Å; L52-A281 HydrophobicContact CD2-CB 4.17Å; L52-A284 HydrophobicContact CB-CB 4.21Å
53W98Very high89.8Confident8 Ų856.3 Ų56.33%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-102.1139.2167.5-76-106.4000109.8G6 V7 L9 P11 V16 V18 M38 K39 R40 C51G6-W53 CarbonylContact C-O 3.56Å; G6-W53 VanDerWaalsContact CA-O 3.23Å; G6-W53 WeakPolarHBondContact CA-O 3.42Å; V7-W53 HydrophobicContact CG1-CB 4.18Å; V7-W53 PolarHBondContact N-O 3.12Å; V7-W53 PolarHBondContact O-N 2.96Å; L9-W53 HydrophobicContact CD1-CH2 4.12Å; L9-W53 HydrophobicContact CD1-CZ3 4.06Å; L9-W53 HydrophobicContact CD2-CE3 4.21Å; L9-W53 HydrophobicContact CD2-CZ3 4.28Å; L9-W53 HydrophobicContact CG-CE3 4.03Å; L9-W53 HydrophobicContact CG-CH2 4.2Å; L9-W53 HydrophobicContact CG-CZ3 3.62Å; L9-W53 WeakPolarHBondContact O-CZ3 3.33Å; P11-W53 HydrophobicContact CB-CH2 3.99Å; P11-W53 HydrophobicContact CB-CZ2 4.48Å; P11-W53 HydrophobicContact CG-CH2 4.12Å; V16-W53 HydrophobicContact CG1-CH2 4.36Å; V16-W53 HydrophobicContact CG1-CZ2 3.84Å; V18-W53 HydrophobicContact CB-CB 4.2Å; V18-W53 HydrophobicContact CB-CD2 4.28Å; V18-W53 HydrophobicContact CB-CG 3.77Å; V18-W53 HydrophobicContact CG1-CB 4.29Å; V18-W53 HydrophobicContact CG1-CG 4.3Å; V18-W53 HydrophobicContact CG2-CD2 3.73Å; V18-W53 HydrophobicContact CG2-CE3 4.42Å; V18-W53 HydrophobicContact CG2-CG 3.76Å; V18-W53 HydrophobicContact CG2-CZ2 4.21Å; M38-W53 HydrophobicContact CB-CB 3.86Å; M38-W53 HydrophobicContact CB-CG 4.49Å; M38-W53 HydrophobicContact CE-CB 4.19Å; M38-W53 VanDerWaalsContact CE-O 3.27Å; M38-W53 WeakPolarHBondContact CE-O 3.39Å; M38-W53 HydrophobicContact SD-CB 4.27Å; K39-W53 CarbonylContact O-C 3.56Å; K39-W53 WeakPolarHBondContact O-CA 3.32Å; R40-W53 HydrophobicContact CB-CD2 4.49Å; C51-W53 VanDerWaalsContact C-CZ3 3.47Å; C51-W53 HydrophobicContact CB-CE3 4.2Å; C51-W53 HydrophobicContact CB-CH2 3.59Å; C51-W53 HydrophobicContact CB-CZ2 4.46Å; C51-W53 HydrophobicContact CB-CZ3 3.44Å; C51-W53 VanDerWaalsContact CB-CZ3 3.44Å; C51-W53 VanDerWaalsContact O-CE3 3.26Å; C51-W53 WeakPolarHBondContact O-CZ3 3.29Å
54I98.5Very high90.4Very high43 Ų4356.7 Ų56.722%0.22129%0.291CS..EExtended strand (participates in β ladder)trans-130.4144.4178.359.6172.5000112F5 M38 K39 T41 L52 Y277F5-I54 VanDerWaalsContact O-CA 3.26Å; F5-I54 WeakPolarHBondContact O-CA 3.22Å; M38-I54 CarbonylContact C-O 3.49Å; M38-I54 WeakPolarHBondContact CA-O 3.33Å; K39-I54 PolarHBondContact N-O 2.66Å; K39-I54 PolarHBondContact O-N 3.35Å; T41-I54 HydrophobicContact CG2-CD1 3.98Å; T41-I54 HydrophobicContact CG2-CG1 4.02Å; T41-I54 HydrophobicContact CG2-CG2 4.09Å; L52-I54 HydrophobicContact CD1-CG2 4.16Å; L52-I54 HydrophobicContact CD2-CG2 4.02Å; L52-I54 HydrophobicContact CG-CG2 3.91Å; I54-Y277 HydrophobicContact CG2-CD1 4.44Å; I54-Y277 HydrophobicContact CG2-CE1 4.11Å
55A98.4Very high91.5Very high6 Ų660.9 Ų60.95%0.0531%0.308CS..EExtended strand (participates in β ladder)trans-136.9143.5167.900000110.5R4 F5 V20 V36 M38R4-A55 WeakPolarHBondContact CA-O 3.17Å; F5-A55 PolarHBondContact N-O 3.24Å; F5-A55 PolarHBondContact O-N 3.15Å; V20-A55 HydrophobicContact CG1-CB 3.87Å; V36-A55 HydrophobicContact CG1-CB 4.05Å; M38-A55 HydrophobicContact CB-CB 4.22Å; M38-A55 HydrophobicContact CE-CB 4.43Å; M38-A55 HydrophobicContact CG-CB 3.71Å
56D98.4Very high92.7Very high69 Ų6957.4 Ų57.437%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-105.8129172.1-67.4-17.9000108.9L2 Y3 R4L2-D56 HydrophobicContact CD1-CB 4.08Å; L2-D56 HydrophobicContact CD2-CB 4.45Å; L2-D56 HydrophobicContact CG-CB 4.36Å; Y3-D56 CarbonylContact O-C 3.44Å; Y3-D56 VanDerWaalsContact O-CA 3.28Å; Y3-D56 WeakPolarHBondContact O-CA 3.43Å; R4-D56 VanDerWaalsContact CB-OD1 3.26Å; R4-D56 WeakPolarHBondContact CB-OD1 3.46Å; R4-D56 VanDerWaalsContact CG-OD1 3.27Å; R4-D56 WeakPolarHBondContact CG-OD1 3.22Å; R4-D56 IonicContact CZ-OD1 2.61Å; R4-D56 IonicContact CZ-OD2 3.21Å; R4-D56 IonicContact NE-OD1 3.25Å; R4-D56 PolarHBondContact NE-OD1 3.16Å; R4-D56 IonicContact NE-OD2 3.99Å; R4-D56 IonicContact NH2-OD1 2.67Å; R4-D56 PolarHBondContact NH2-OD1 3.14Å; R4-D56 IonicContact NH2-OD2 3.36Å; R4-D56 PolarHBondContact NH2-OD2 3.13Å
57V98.3Very high93.8Very high8 Ų855.8 Ų55.85%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-126.4128.7-178.7-171.50000108.7Y3 F5 V20 E26 M27 V36 L59Y3-V57 PolarHBondContact N-O 3.05Å; Y3-V57 PolarHBondContact O-N 2.78Å; F5-V57 HydrophobicContact CD2-CG2 4.06Å; F5-V57 HydrophobicContact CE2-CB 4.25Å; F5-V57 HydrophobicContact CE2-CG2 4.05Å; V20-V57 HydrophobicContact CG1-CG2 4.41Å; E26-V57 HydrophobicContact CB-CG1 3.98Å; M27-V57 HydrophobicContact CG-CG1 4.04Å; V36-V57 HydrophobicContact CB-CG2 4.31Å; V36-V57 HydrophobicContact CG1-CG2 4.14Å; V36-V57 HydrophobicContact CG2-CG2 4.02Å; V57-L59 HydrophobicContact CG1-CD2 3.82Å; V57-L59 PolarHBondContact O-N 3.48Å
58H98.2Very high94.8Very high138 Ų13855.4 Ų55.464%0.63928%0.277SS*.EExtended strand (participates in β ladder)trans-86.9110.3173.3-167.3-4.6000109.6M1 L2M1-H58 PolarHBondContact O-ND1 2.89Å; L2-H58 HydrophobicContact CD1-CB 4.37Å
59L97.6Very high95.7Very high1 Ų148.2 Ų48.21%0.00525%0.25CC..PPolyproline II helixtrans-90.5132.2176-56.9-175.2000111M1 Y3 R24 E26 M27 V57 C63 L67M1-L59 PolarHBondContact N-O 3.37Å; M1-L59 PolarHBondContact O-N 2.99Å; Y3-L59 HydrophobicContact CD1-CD1 3.71Å; Y3-L59 HydrophobicContact CD2-CB 4.36Å; Y3-L59 HydrophobicContact CD2-CD1 3.62Å; Y3-L59 HydrophobicContact CD2-CG 3.97Å; Y3-L59 HydrophobicContact CE1-CD1 3.93Å; Y3-L59 HydrophobicContact CE2-CD1 3.89Å; Y3-L59 HydrophobicContact CG-CD1 3.56Å; Y3-L59 HydrophobicContact CG-CG 4.08Å; R24-L59 HydrophobicContact CB-CD2 4.34Å; R24-L59 HydrophobicContact CG-CD2 4.35Å; E26-L59 HydrophobicContact CB-CD2 4.1Å; M27-L59 HydrophobicContact CG-CD2 4.45Å; M27-L59 HydrophobicContact SD-CD2 4.46Å; V57-L59 HydrophobicContact CG1-CD2 3.82Å; V57-L59 PolarHBondContact O-N 3.48Å; L59-C63 HydrophobicContact CB-CB 4.11Å; L59-L67 HydrophobicContact CD1-CD2 3.44Å; L59-L67 VanDerWaalsContact CD1-CD2 3.44Å
60A96.8Very high96.4Very high54 Ų5446.4 Ų46.445%0.44624%0.241SC..PPolyproline II helixtrans-77.3159.7171.500000111.5R24 E26 P62 C63R24-A60 PolarHBondContact NH2-O 3.43Å; R24-A60 VanDerWaalsContact NH2-O 3.07Å; E26-A60 WeakPolarHBondContact OE1-CB 3.43Å; E26-A60 PolarHBondContact OE1-N 3.42Å; A60-P62 CarbonylContact O-C 3.6Å; A60-C63 PolarHBondContact O-N 2.86Å
61E94.4Very high96.7Very high139 Ų13945.4 Ų45.465%0.6524%0.235SC*.SBendtrans-65.9144.6175.2-65-58.8158.600111.8C63E61-C63 VanDerWaalsContact CD-SG 3.54Å; E61-C63 PolarHBondContact OE1-SG 3.09Å; E61-C63 PolarHBondContact OE2-N 3.24Å; E61-C63 PolarHBondContact OE2-SG 3.15Å; E61-C63 VanDerWaalsContact OE2-SG 3.34Å
62P92.8Very high96.9Very high59 Ų5945.2 Ų45.238%0.38323%0.234SC..SBendcis-74.3119.8-4.830.6-33.3000110.8R24 A60 E65R24-P62 PolarHBondContact NH1-O 3.05Å; R24-P62 VanDerWaalsContact NH1-O 3.16Å; A60-P62 CarbonylContact O-C 3.6Å; P62-E65 HydrophobicContact CB-CG 3.97Å; P62-E65 HydrophobicContact CG-CG 4.13Å; P62-E65 WeakPolarHBondContact CG-OE1 3.08Å; P62-E65 WeakPolarHBondContact CG-OE2 3.48Å
63C90.1Very high96.8Very high2 Ų245.7 Ų45.71%0.01424%0.235CC..  trans-96.1-15.4-173.969.80000113.4M1 Y3 L59 A60 E61M1-C63 HydrophobicContact CB-CB 4.18Å; M1-C63 WeakPolarHBondContact CB-SG 3.36Å; Y3-C63 PolarHBondContact OH-O 3.18Å; L59-C63 HydrophobicContact CB-CB 4.11Å; A60-C63 PolarHBondContact O-N 2.86Å; E61-C63 VanDerWaalsContact CD-SG 3.54Å; E61-C63 PolarHBondContact OE1-SG 3.09Å; E61-C63 PolarHBondContact OE2-N 3.24Å; E61-C63 PolarHBondContact OE2-SG 3.15Å; E61-C63 VanDerWaalsContact OE2-SG 3.34Å
64Q94.9Very high96.7Very high106 Ų10648.8 Ų48.850%0.49525%0.247SC..SBendtrans-92.4-2.4179.4-61.3-177.33.700113.5Y94Q64-Y94 HydrophobicContact CB-CD1 4.21Å; Q64-Y94 HydrophobicContact CB-CD2 4.24Å; Q64-Y94 HydrophobicContact CB-CG 3.93Å; Q64-Y94 HydrophobicContact CG-CD1 4.12Å; Q64-Y94 HydrophobicContact CG-CD2 3.91Å; Q64-Y94 HydrophobicContact CG-CE1 4.17Å; Q64-Y94 HydrophobicContact CG-CE2 3.94Å; Q64-Y94 HydrophobicContact CG-CG 3.97Å; Q64-Y94 VanDerWaalsContact O-CB 3.29Å; Q64-Y94 WeakPolarHBondContact O-CB 3.33Å
65E94.4Very high96.3Very high121 Ų12148.9 Ų48.957%0.56525%0.25SC*.SBendtrans-69.7150173-75.6179.7-173.600111.3P62 L67P62-E65 HydrophobicContact CB-CG 3.97Å; P62-E65 HydrophobicContact CG-CG 4.13Å; P62-E65 WeakPolarHBondContact CG-OE1 3.08Å; P62-E65 WeakPolarHBondContact CG-OE2 3.48Å; E65-L67 PolarHBondContact O-N 3.07Å
66S96.7Very high95.7Very high74 Ų7452.3 Ų52.352%0.51729%0.286SS..  trans-59.3135.4176.2-60.60000110.9C92S66-C92 WeakPolarHBondContact CA-O 3.33Å
67L97.3Very high95.1Very high4 Ų451.9 Ų51.92%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-130148175.367.189.3000110.7Y3 F5 R24 M27 L59 E65 L69 C92Y3-L67 HydrophobicContact CE1-CD2 4.48Å; F5-L67 HydrophobicContact CZ-CD1 4.42Å; R24-L67 HydrophobicContact CG-CB 3.85Å; R24-L67 HydrophobicContact CG-CD2 3.93Å; R24-L67 HydrophobicContact CG-CG 4.39Å; M27-L67 HydrophobicContact SD-CD1 4.13Å; L59-L67 HydrophobicContact CD1-CD2 3.44Å; L59-L67 VanDerWaalsContact CD1-CD2 3.44Å; E65-L67 PolarHBondContact O-N 3.07Å; L67-L69 HydrophobicContact CD1-CB 4.21Å; L67-L69 HydrophobicContact CD1-CD2 3.63Å; L67-C92 HydrophobicContact CD1-CB 3.76Å; L67-C92 HydrophobicContact CG-CB 3.87Å; L67-C92 PolarHBondContact N-O 3.43Å; L67-C92 VanDerWaalsContact N-O 3.09Å; L67-C92 WeakPolarHBondContact O-CB 3.24Å; L67-C92 PolarHBondContact O-N 2.86Å
68W98.4Very high94.9Very high111 Ų11157 Ų5742%0.4232%0.324SS..EExtended strand (participates in β ladder)trans-98.7140.3175.4-65.9161.4000110.2G22 S23 W30 R90 C91G22-W68 CarbonylContact C-O 3.45Å; G22-W68 WeakPolarHBondContact CA-O 3.45Å; S23-W68 PolarHBondContact N-O 3.22Å; S23-W68 PolarHBondContact OG-N 3.42Å; S23-W68 PolarHBondContact OG-O 3.14Å; W30-W68 HydrophobicContact CH2-CB 4.02Å; W30-W68 HydrophobicContact CZ2-CB 3.57Å; W68-R90 WeakPolarHBondContact CA-O 3.46Å; W68-C91 HydrophobicContact CE3-CB 3.83Å; W68-C91 HydrophobicContact CH2-CB 3.74Å; W68-C91 WeakPolarHBondContact CH2-SG 3.24Å; W68-C91 HydrophobicContact CZ3-CB 3.22Å; W68-C91 WeakPolarHBondContact CZ3-SG 3.3Å
69L98.5Very high94.8Very high0 Ų053.2 Ų53.20%031%0.306CS..EExtended strand (participates in β ladder)trans-146.6161-179.770.4109.7000112.1F5 V20 L21 M27 L67 F71 R90 C92F5-L69 HydrophobicContact CD1-CD1 4.34Å; F5-L69 HydrophobicContact CD1-CD2 3.99Å; F5-L69 HydrophobicContact CE1-CD2 3.59Å; F5-L69 HydrophobicContact CZ-CD2 4.46Å; V20-L69 HydrophobicContact CG2-CD1 4Å; L21-L69 CarbonylContact O-C 3.57Å; L21-L69 WeakPolarHBondContact O-CA 3.39Å; L21-L69 WeakPolarHBondContact O-CB 2.99Å; M27-L69 HydrophobicContact CE-CB 3.8Å; L67-L69 HydrophobicContact CD1-CB 4.21Å; L67-L69 HydrophobicContact CD1-CD2 3.63Å; L69-F71 HydrophobicContact CD1-CE1 4.42Å; L69-F71 HydrophobicContact CD1-CE2 4.2Å; L69-F71 HydrophobicContact CD1-CZ 4Å; L69-R90 HydrophobicContact CD1-CB 4.31Å; L69-R90 HydrophobicContact CG-CB 4.05Å; L69-R90 PolarHBondContact N-O 3.43Å; L69-R90 VanDerWaalsContact N-O 3.11Å; L69-R90 WeakPolarHBondContact O-CB 3.43Å; L69-R90 PolarHBondContact O-N 3.37Å; L69-C92 HydrophobicContact CD2-CB 3.69Å
70K98.6Very high94.7Very high6 Ų656.5 Ų56.53%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-141.8156.1166.8-80.5-169.2162.5-170.80111L21 W30 W81 E82 G85 H88 D89L21-K70 PolarHBondContact N-O 3.3Å; L21-K70 PolarHBondContact O-N 2.61Å; W30-K70 HydrophobicContact CZ3-CB 4.09Å; W30-K70 HydrophobicContact CZ3-CD 4.47Å; W30-K70 HydrophobicContact CZ3-CG 4.08Å; K70-W81 HydrophobicContact CB-CE3 4.28Å; K70-W81 HydrophobicContact CB-CZ3 4.4Å; K70-W81 HydrophobicContact CD-CE3 3.88Å; K70-W81 HydrophobicContact CD-CZ3 4.28Å; K70-E82 WeakPolarHBondContact CA-OE1 3.48Å; K70-E82 HydrophobicContact CB-CG 4.22Å; K70-E82 HydrophobicContact CD-CG 4.33Å; K70-E82 WeakPolarHBondContact CE-O 3.49Å; K70-E82 HydrophobicContact CG-CG 4.2Å; K70-E82 PolarHBondContact NZ-O 3.31Å; K70-G85 PolarHBondContact NZ-O 3.28Å; K70-H88 VanDerWaalsContact CE-C 3.47Å; K70-H88 WeakPolarHBondContact CE-O 3.38Å; K70-D89 WeakPolarHBondContact CD-OD1 3.37Å; K70-D89 WeakPolarHBondContact CE-OD1 3.4Å; K70-D89 IonicContact NZ-OD1 3.82Å
71F98.6Very high94.8Very high1 Ų158.3 Ų58.30%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-90.9142.2163.8-55.7-70000110.6F5 V7 F19 V20 M38 L69 E82 W111F5-F71 HydrophobicContact CB-CE1 4.19Å; F5-F71 HydrophobicContact CB-CZ 4.4Å; V7-F71 HydrophobicContact CB-CB 4.49Å; V7-F71 HydrophobicContact CB-CD1 3.87Å; V7-F71 HydrophobicContact CB-CD2 3.6Å; V7-F71 HydrophobicContact CB-CE1 3.93Å; V7-F71 HydrophobicContact CB-CE2 3.67Å; V7-F71 HydrophobicContact CB-CG 3.71Å; V7-F71 HydrophobicContact CB-CZ 3.84Å; V7-F71 HydrophobicContact CG1-CB 4.29Å; V7-F71 HydrophobicContact CG1-CD1 3.77Å; V7-F71 HydrophobicContact CG1-CD2 4.25Å; V7-F71 HydrophobicContact CG1-CE1 4.14Å; V7-F71 HydrophobicContact CG1-CG 3.83Å; V7-F71 HydrophobicContact CG2-CB 4.36Å; V7-F71 HydrophobicContact CG2-CD2 3.54Å; V7-F71 HydrophobicContact CG2-CE2 3.93Å; V7-F71 HydrophobicContact CG2-CG 3.9Å; F19-F71 WeakPolarHBondContact O-CA 3.39Å; V20-F71 HydrophobicContact CB-CD1 3.89Å; V20-F71 HydrophobicContact CB-CE1 3.89Å; V20-F71 HydrophobicContact CG2-CD1 3.92Å; V20-F71 HydrophobicContact CG2-CE1 3.66Å; M38-F71 HydrophobicContact CE-CD1 4.02Å; M38-F71 HydrophobicContact CE-CE1 3.66Å; M38-F71 HydrophobicContact SD-CD1 3.59Å; M38-F71 VanDerWaalsContact SD-CD1 3.59Å; M38-F71 HydrophobicContact SD-CE1 3.87Å; L69-F71 HydrophobicContact CD1-CE1 4.42Å; L69-F71 HydrophobicContact CD1-CE2 4.2Å; L69-F71 HydrophobicContact CD1-CZ 4Å; F71-E82 WeakPolarHBondContact CD2-OE1 3.24Å; F71-E82 WeakPolarHBondContact CD2-OE2 3.27Å; F71-E82 PolarHBondContact N-OE1 3.01Å; F71-E82 WeakPolarHBondContact O-CB 3.45Å; F71-E82 WeakPolarHBondContact O-CG 3.24Å; F71-E82 PolarHBondContact O-N 2.67Å; F71-W111 HydrophobicContact CB-CE3 4.28Å; F71-W111 HydrophobicContact CB-CZ3 4.05Å
72I98.1Very high94.9Very high0 Ų051.7 Ų51.70%029%0.288CS..EExtended strand (participates in β ladder)trans-129156.4170.568171.3000108.9V18 F19 L21 P32 A35 F79 I80 W81V18-I72 CarbonylContact C-O 3.56Å; V18-I72 WeakPolarHBondContact CA-O 3.46Å; F19-I72 HydrophobicContact CB-CD1 4.25Å; F19-I72 HydrophobicContact CB-CG1 3.69Å; F19-I72 HydrophobicContact CD2-CG1 4.14Å; F19-I72 HydrophobicContact CG-CG1 4.26Å; F19-I72 PolarHBondContact N-O 2.88Å; F19-I72 PolarHBondContact O-N 2.89Å; L21-I72 HydrophobicContact CD2-CB 4.23Å; L21-I72 HydrophobicContact CD2-CD1 3.39Å; L21-I72 HydrophobicContact CD2-CG1 3.69Å; L21-I72 HydrophobicContact CD2-CG2 3.48Å; L21-I72 VanDerWaalsContact CD2-CG2 3.48Å; L21-I72 HydrophobicContact CG-CG2 4.5Å; P32-I72 HydrophobicContact CB-CD1 3.76Å; P32-I72 HydrophobicContact CG-CD1 4.43Å; A35-I72 HydrophobicContact CB-CD1 4.08Å; I72-F79 HydrophobicContact CD1-CB 4.47Å; I72-F79 HydrophobicContact CD1-CD1 3.5Å; I72-F79 HydrophobicContact CD1-CE1 3.83Å; I72-F79 HydrophobicContact CD1-CG 4.1Å; I72-F79 HydrophobicContact CG1-CD1 4.31Å; I72-I80 CarbonylContact C-O 3.57Å; I72-I80 VanDerWaalsContact CA-O 3.25Å; I72-I80 WeakPolarHBondContact CA-O 3.36Å; I72-I80 WeakPolarHBondContact CB-O 3.44Å; I72-W81 HydrophobicContact CG2-CB 4.3Å; I72-W81 HydrophobicContact CG2-CD2 3.51Å; I72-W81 HydrophobicContact CG2-CE3 3.62Å; I72-W81 HydrophobicContact CG2-CG 3.83Å; I72-W81 HydrophobicContact CG2-CZ3 4.22Å
73K96.8Very high95.2Very high9 Ų949.3 Ų49.34%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-125.6153.2171.965.5-173.6178.1-173.60111.1E12 V16 E17 V75 F79 I80 W111E12-K73 IonicContact OE1-NZ 3.08Å; E12-K73 PolarHBondContact OE1-NZ 3.42Å; E12-K73 IonicContact OE2-NZ 3.82Å; E12-K73 PolarHBondContact OE2-NZ 3.28Å; V16-K73 HydrophobicContact CG2-CB 3.94Å; V16-K73 HydrophobicContact CG2-CD 4.2Å; V16-K73 HydrophobicContact CG2-CG 4.49Å; E17-K73 CarbonylContact O-C 3.53Å; E17-K73 WeakPolarHBondContact O-CA 3.37Å; E17-K73 WeakPolarHBondContact O-CB 3.44Å; K73-V75 HydrophobicContact CD-CG2 4.35Å; K73-V75 HydrophobicContact CG-CG2 4.3Å; K73-F79 CarbonylContact O-C 3.47Å; K73-F79 WeakPolarHBondContact O-CA 3.4Å; K73-I80 HydrophobicContact CG-CB 3.86Å; K73-I80 HydrophobicContact CG-CD1 4.49Å; K73-I80 HydrophobicContact CG-CG2 4.45Å; K73-I80 PolarHBondContact N-O 3.32Å; K73-I80 PolarHBondContact O-N 3.14Å; K73-W111 HydrophobicContact CB-CH2 4.21Å; K73-W111 HydrophobicContact CB-CZ3 4.35Å; K73-W111 HydrophobicContact CD-CH2 3.97Å; K73-W111 HydrophobicContact CD-CZ2 4.09Å; K73-W111 HydrophobicContact CD-CZ3 4.41Å; K73-W111 HydrophobicContact CG-CH2 3.77Å; K73-W111 HydrophobicContact CG-CZ2 4.25Å; K73-W111 HydrophobicContact CG-CZ3 4.34Å
74R95.3Very high95.5Very high73 Ų7353.2 Ų53.228%0.27530%0.295SS..EExtended strand (participates in β ladder)trans-109.4120.2173.9-176.916660.2-148.89.1109.6E17 F19 N78 F79E17-R74 HydrophobicContact CB-CB 4.35Å; E17-R74 PolarHBondContact O-N 3Å; E17-R74 IonicContact OE1-CZ 3.24Å; E17-R74 IonicContact OE1-NH2 3.08Å; E17-R74 PolarHBondContact OE1-NH2 3.35Å; E17-R74 IonicContact OE2-CZ 3.11Å; E17-R74 IonicContact OE2-NE 3.8Å; E17-R74 PolarHBondContact OE2-NE 3.31Å; E17-R74 IonicContact OE2-NH2 3.92Å; E17-R74 PolarHBondContact OE2-NH2 2.95Å; F19-R74 HydrophobicContact CE2-CB 3.88Å; R74-N78 WeakPolarHBondContact CA-O 3.46Å; R74-F79 HydrophobicContact CB-CD1 4.15Å; R74-F79 HydrophobicContact CB-CE1 4.2Å
75V88.9Confident95.5Very high45 Ų4550.2 Ų50.227%0.27329%0.292SS..EExtended strand (participates in β ladder)trans-132.4124178-176.90000108.3V16 K73 G77 N78 I80V16-V75 HydrophobicContact CG2-CG2 4.07Å; K73-V75 HydrophobicContact CD-CG2 4.35Å; K73-V75 HydrophobicContact CG-CG2 4.3Å; V75-G77 PolarHBondContact O-N 2.92Å; V75-N78 PolarHBondContact N-O 3.24Å; V75-N78 PolarHBondContact O-N 3.37Å; V75-N78 VanDerWaalsContact O-N 3.09Å; V75-I80 HydrophobicContact CB-CD1 4.03Å; V75-I80 HydrophobicContact CG2-CD1 4.05Å
76G85.9Confident95.6Very high78 Ų7848.9 Ų48.980%0.80430%0.296SS*.THydrogen-bonded Turntrans58.631.9-178.200000113.9N78G76-N78 VanDerWaalsContact C-N 3.26Å; G76-N78 PolarHBondContact O-N 2.95Å
77G87.6Confident95.5Very high60 Ų6051.8 Ų51.862%0.61930%0.301SS*.THydrogen-bonded Turntrans81.1-6.9-17800000115.4V75V75-G77 PolarHBondContact O-N 2.92Å
78N92.5Very high95.6Very high115 Ų11553.3 Ų53.362%0.61531%0.308SS*.EExtended strand (participates in β ladder)trans-100.3140.7-179.7-62.5-55.6000111.4R74 V75 G76R74-N78 WeakPolarHBondContact CA-O 3.46Å; V75-N78 PolarHBondContact N-O 3.24Å; V75-N78 PolarHBondContact O-N 3.37Å; V75-N78 VanDerWaalsContact O-N 3.09Å; G76-N78 VanDerWaalsContact C-N 3.26Å; G76-N78 PolarHBondContact O-N 2.95Å
79F96.2Very high95.6Very high59 Ų5950.1 Ų50.126%0.25930%0.299SS..EExtended strand (participates in β ladder)trans-82.1128.4172.7-69.7-65.8000110.9F19 P32 I72 K73 R74F19-F79 HydrophobicContact CD2-CE1 4.23Å; F19-F79 HydrophobicContact CE2-CE1 4.07Å; F19-F79 HydrophobicContact CZ-CE1 4.46Å; P32-F79 HydrophobicContact CB-CB 4.46Å; P32-F79 HydrophobicContact CB-CD1 4.29Å; P32-F79 HydrophobicContact CB-CD2 3.5Å; P32-F79 HydrophobicContact CB-CE1 4.36Å; P32-F79 HydrophobicContact CB-CE2 3.61Å; P32-F79 HydrophobicContact CB-CG 3.85Å; P32-F79 HydrophobicContact CB-CZ 4.03Å; P32-F79 HydrophobicContact CG-CD2 4.43Å; I72-F79 HydrophobicContact CD1-CB 4.47Å; I72-F79 HydrophobicContact CD1-CD1 3.5Å; I72-F79 HydrophobicContact CD1-CE1 3.83Å; I72-F79 HydrophobicContact CD1-CG 4.1Å; I72-F79 HydrophobicContact CG1-CD1 4.31Å; K73-F79 CarbonylContact O-C 3.47Å; K73-F79 WeakPolarHBondContact O-CA 3.4Å; R74-F79 HydrophobicContact CB-CD1 4.15Å; R74-F79 HydrophobicContact CB-CE1 4.2Å
80I96.4Very high95.5Very high70 Ų7052 Ų5236%0.35931%0.306SS..EExtended strand (participates in β ladder)trans-112.8126.8173.6-56.7171.5000107I72 K73 V75 W111I72-I80 CarbonylContact C-O 3.57Å; I72-I80 VanDerWaalsContact CA-O 3.25Å; I72-I80 WeakPolarHBondContact CA-O 3.36Å; I72-I80 WeakPolarHBondContact CB-O 3.44Å; K73-I80 HydrophobicContact CG-CB 3.86Å; K73-I80 HydrophobicContact CG-CD1 4.49Å; K73-I80 HydrophobicContact CG-CG2 4.45Å; K73-I80 PolarHBondContact N-O 3.32Å; K73-I80 PolarHBondContact O-N 3.14Å; V75-I80 HydrophobicContact CB-CD1 4.03Å; V75-I80 HydrophobicContact CG2-CD1 4.05Å; I80-W111 HydrophobicContact CG2-CZ2 4.33Å
81W97.9Very high95.5Very high92 Ų9255 Ų5535%0.34833%0.327SS..EExtended strand (participates in β ladder)trans-91.1147.2179.2-68.571.7000110.7L21 W30 P32 K70 I72L21-W81 HydrophobicContact CD1-CH2 3.5Å; L21-W81 VanDerWaalsContact CD1-CH2 3.5Å; L21-W81 HydrophobicContact CD1-CZ3 3.61Å; L21-W81 HydrophobicContact CD2-CH2 4.11Å; L21-W81 HydrophobicContact CD2-CZ3 4.24Å; L21-W81 HydrophobicContact CG-CH2 4.42Å; L21-W81 HydrophobicContact CG-CZ3 4.36Å; W30-W81 HydrophobicContact CE3-CH2 4.18Å; W30-W81 AromaticContact CE3-CZ3 3.88Å; W30-W81 HydrophobicContact CE3-CZ3 3.88Å; W30-W81 HydrophobicContact CZ3-CZ3 4.2Å; P32-W81 HydrophobicContact CG-CH2 4.5Å; P32-W81 HydrophobicContact CG-CZ2 3.57Å; K70-W81 HydrophobicContact CB-CE3 4.28Å; K70-W81 HydrophobicContact CB-CZ3 4.4Å; K70-W81 HydrophobicContact CD-CE3 3.88Å; K70-W81 HydrophobicContact CD-CZ3 4.28Å; I72-W81 HydrophobicContact CG2-CB 4.3Å; I72-W81 HydrophobicContact CG2-CD2 3.51Å; I72-W81 HydrophobicContact CG2-CE3 3.62Å; I72-W81 HydrophobicContact CG2-CG 3.83Å; I72-W81 HydrophobicContact CG2-CZ3 4.22Å
82E97.6Very high95.5Very high0 Ų055 Ų550%033%0.327CS..SBendtrans-71.2149165.679.3179162.200111.1K70 F71 R90 W111 I112K70-E82 WeakPolarHBondContact CA-OE1 3.48Å; K70-E82 HydrophobicContact CB-CG 4.22Å; K70-E82 HydrophobicContact CD-CG 4.33Å; K70-E82 WeakPolarHBondContact CE-O 3.49Å; K70-E82 HydrophobicContact CG-CG 4.2Å; K70-E82 PolarHBondContact NZ-O 3.31Å; F71-E82 WeakPolarHBondContact CD2-OE1 3.24Å; F71-E82 WeakPolarHBondContact CD2-OE2 3.27Å; F71-E82 PolarHBondContact N-OE1 3.01Å; F71-E82 WeakPolarHBondContact O-CB 3.45Å; F71-E82 WeakPolarHBondContact O-CG 3.24Å; F71-E82 PolarHBondContact O-N 2.67Å; E82-R90 WeakPolarHBondContact OE1-CD 3.47Å; E82-R90 IonicContact OE1-CZ 3.7Å; E82-R90 IonicContact OE1-NE 2.54Å; E82-R90 PolarHBondContact OE1-NE 3.35Å; E82-R90 IonicContact OE1-NH2 3.71Å; E82-R90 IonicContact OE2-CZ 3.45Å; E82-R90 IonicContact OE2-NE 3Å; E82-R90 PolarHBondContact OE2-NE 3.44Å; E82-R90 IonicContact OE2-NH2 2.71Å; E82-R90 PolarHBondContact OE2-NH2 2.85Å; E82-W111 HydrophobicContact CB-CD2 3.93Å; E82-W111 HydrophobicContact CB-CE3 3.97Å; E82-W111 HydrophobicContact CB-CH2 3.89Å; E82-W111 HydrophobicContact CB-CZ2 3.85Å; E82-W111 HydrophobicContact CB-CZ3 3.96Å; E82-I112 CarbonylContact C-O 3.59Å; E82-I112 WeakPolarHBondContact CA-O 3.41Å; E82-I112 HydrophobicContact CB-CB 4.31Å; E82-I112 HydrophobicContact CG-CB 4.41Å; E82-I112 PolarHBondContact OE2-N 3.47Å
83G97.7Very high95.4Very high9 Ų958.8 Ų58.89%0.09335%0.35CS..SBendtrans61.7-148.9-176.600000112.4I112 E113G83-I112 PolarHBondContact N-O 3.49Å; G83-E113 WeakPolarHBondContact CA-O 3.48Å
84N96.6Very high95.4Very high85 Ų8560.9 Ų60.946%0.45536%0.358SS..SBendtrans-154.5117.2-175.1-175.8-3.3000107.1H87 H88 E114N84-H87 PolarHBondContact O-CE1 3.22Å; N84-H87 PolarHBondContact O-ND1 2.77Å; N84-H87 PolarHBondContact O-NE2 3.2Å; N84-H88 PolarHBondContact N-ND1 3.25Å; N84-H88 PolarHBondContact O-ND1 2.57Å; N84-E114 HydrophobicContact CB-CG 4.27Å; N84-E114 WeakPolarHBondContact CB-O 3.37Å
85G95.6Very high95.5Very high43 Ų4361 Ų6144%0.44336%0.364SS..SBendtrans61.7-175.9-176.600000115.3K70 H87K70-G85 PolarHBondContact NZ-O 3.28Å; G85-H87 VanDerWaalsContact C-N 3.33Å; G85-H87 PolarHBondContact O-N 3.1Å
86S96.1Very high95.9Very high92 Ų9265.6 Ų65.664%0.64338%0.383SS*.G310 helixtrans-75.8-14.3-171.356.90000115H88 D89S86-H88 PolarHBondContact O-N 2.69Å; S86-D89 WeakPolarHBondContact CB-OD2 3.42Å; S86-D89 VanDerWaalsContact O-CB 3.32Å; S86-D89 WeakPolarHBondContact O-CB 3.43Å; S86-D89 VanDerWaalsContact O-CG 3.23Å; S86-D89 PolarHBondContact O-N 3.1Å
87H95.9Very high96.4Very high135 Ų13565 Ų6563%0.62537%0.366SS*.G310 helixtrans-70.4-14.3177.660.1-86000112.9N84 G85N84-H87 PolarHBondContact O-CE1 3.22Å; N84-H87 PolarHBondContact O-ND1 2.77Å; N84-H87 PolarHBondContact O-NE2 3.2Å; G85-H87 VanDerWaalsContact C-N 3.33Å; G85-H87 PolarHBondContact O-N 3.1Å
88H97.9Very high96.9Very high36 Ų3662.5 Ų62.517%0.16734%0.339CS..G310 helixtrans-101.210.8171.7-62.4148000112.9K70 N84 S86 R90 I112 G116K70-H88 VanDerWaalsContact CE-C 3.47Å; K70-H88 WeakPolarHBondContact CE-O 3.38Å; N84-H88 PolarHBondContact N-ND1 3.25Å; N84-H88 PolarHBondContact O-ND1 2.57Å; S86-H88 PolarHBondContact O-N 2.69Å; H88-R90 PolarHBondContact O-N 3.04Å; H88-I112 HydrophobicContact CB-CG2 4.44Å; H88-G116 WeakPolarHBondContact CE1-CA 3.19Å; H88-G116 WeakPolarHBondContact NE2-CA 3.31Å
89D98.2Very high97.2Very high44 Ų4459.6 Ų59.624%0.23532%0.323CS..  trans-63.2131.1172.1-68-14000109.4W30 K70 S86W30-D89 HydrophobicContact CH2-CB 4.31Å; K70-D89 WeakPolarHBondContact CD-OD1 3.37Å; K70-D89 WeakPolarHBondContact CE-OD1 3.4Å; K70-D89 IonicContact NZ-OD1 3.82Å; S86-D89 WeakPolarHBondContact CB-OD2 3.42Å; S86-D89 VanDerWaalsContact O-CB 3.32Å; S86-D89 WeakPolarHBondContact O-CB 3.43Å; S86-D89 VanDerWaalsContact O-CG 3.23Å; S86-D89 PolarHBondContact O-N 3.1Å
90R98.3Very high97.3Very high40 Ų4057.6 Ų57.615%0.15132%0.316CS..EExtended strand (participates in β ladder)trans-79.3143.3179.1-62.2176-176.4-90.11.6110.4W68 L69 E82 H88 H110 I112W68-R90 WeakPolarHBondContact CA-O 3.46Å; L69-R90 HydrophobicContact CD1-CB 4.31Å; L69-R90 HydrophobicContact CG-CB 4.05Å; L69-R90 PolarHBondContact N-O 3.43Å; L69-R90 VanDerWaalsContact N-O 3.11Å; L69-R90 WeakPolarHBondContact O-CB 3.43Å; L69-R90 PolarHBondContact O-N 3.37Å; E82-R90 WeakPolarHBondContact OE1-CD 3.47Å; E82-R90 IonicContact OE1-CZ 3.7Å; E82-R90 IonicContact OE1-NE 2.54Å; E82-R90 PolarHBondContact OE1-NE 3.35Å; E82-R90 IonicContact OE1-NH2 3.71Å; E82-R90 IonicContact OE2-CZ 3.45Å; E82-R90 IonicContact OE2-NE 3Å; E82-R90 PolarHBondContact OE2-NE 3.44Å; E82-R90 IonicContact OE2-NH2 2.71Å; E82-R90 PolarHBondContact OE2-NH2 2.85Å; H88-R90 PolarHBondContact O-N 3.04Å; R90-H110 PolarHBondContact NH2-O 3.25Å; R90-I112 HydrophobicContact CG-CD1 4.24Å
91C97.8Very high97.2Very high68 Ų6860 Ų6046%0.45933%0.329SS..EExtended strand (participates in β ladder)trans-100.4107.9-178.3171.30000111.7W68 V93W68-C91 HydrophobicContact CE3-CB 3.83Å; W68-C91 HydrophobicContact CH2-CB 3.74Å; W68-C91 WeakPolarHBondContact CH2-SG 3.24Å; W68-C91 HydrophobicContact CZ3-CB 3.22Å; W68-C91 WeakPolarHBondContact CZ3-SG 3.3Å; C91-V93 WeakPolarHBondContact SG-CG2 3.4Å
92C97.4Very high97.1Very high1 Ų158.6 Ų58.61%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-98.699.2172.3178.10000109.9S66 L67 L69S66-C92 WeakPolarHBondContact CA-O 3.33Å; L67-C92 HydrophobicContact CD1-CB 3.76Å; L67-C92 HydrophobicContact CG-CB 3.87Å; L67-C92 PolarHBondContact N-O 3.43Å; L67-C92 VanDerWaalsContact N-O 3.09Å; L67-C92 WeakPolarHBondContact O-CB 3.24Å; L67-C92 PolarHBondContact O-N 2.86Å; L69-C92 HydrophobicContact CD2-CB 3.69Å
93V97.3Very high97.2Very high80 Ų8059.8 Ų59.849%0.48535%0.35SS..  trans-96131.8170.5-1740000108.8C91 D95 Y104C91-V93 WeakPolarHBondContact SG-CG2 3.4Å; V93-D95 PolarHBondContact O-N 3.19Å; V93-Y104 PolarHBondContact O-OH 3.48Å
94Y97.1Very high97.2Very high53 Ų5359.4 Ų59.421%0.20835%0.346CS..  trans-62.1125.9177.6-176.5-96.6000111M1 Y3 Q64 Q96 Y104M1-Y94 HydrophobicContact CE-CE2 4.15Å; M1-Y94 HydrophobicContact SD-CE2 3.85Å; Y3-Y94 VanDerWaalsContact OH-CD2 3.31Å; Y3-Y94 WeakPolarHBondContact OH-CD2 3.43Å; Q64-Y94 HydrophobicContact CB-CD1 4.21Å; Q64-Y94 HydrophobicContact CB-CD2 4.24Å; Q64-Y94 HydrophobicContact CB-CG 3.93Å; Q64-Y94 HydrophobicContact CG-CD1 4.12Å; Q64-Y94 HydrophobicContact CG-CD2 3.91Å; Q64-Y94 HydrophobicContact CG-CE1 4.17Å; Q64-Y94 HydrophobicContact CG-CE2 3.94Å; Q64-Y94 HydrophobicContact CG-CG 3.97Å; Q64-Y94 VanDerWaalsContact O-CB 3.29Å; Q64-Y94 WeakPolarHBondContact O-CB 3.33Å; Y94-Q96 HydrophobicContact CE1-CB 4.33Å; Y94-Y104 AromaticContact CD2-CD2 3.51Å; Y94-Y104 HydrophobicContact CD2-CD2 3.51Å; Y94-Y104 AromaticContact CD2-CE2 3.43Å; Y94-Y104 HydrophobicContact CD2-CE2 3.43Å; Y94-Y104 VanDerWaalsContact CD2-CE2 3.43Å; Y94-Y104 AromaticContact CE2-CD2 3.49Å; Y94-Y104 HydrophobicContact CE2-CD2 3.49Å; Y94-Y104 VanDerWaalsContact CE2-CD2 3.49Å; Y94-Y104 AromaticContact CE2-CE2 3.83Å; Y94-Y104 HydrophobicContact CE2-CE2 3.83Å; Y94-Y104 HydrophobicContact CG-CE2 4.14Å
95D97.2Very high97.3Very high76 Ų7655.4 Ų55.441%0.40633%0.325SS..  trans-133.9120.3171174.60.5000107.3V93 S97 N98 Y104V93-D95 PolarHBondContact O-N 3.19Å; D95-S97 PolarHBondContact O-N 3.42Å; D95-S97 VanDerWaalsContact O-N 3.12Å; D95-S97 VanDerWaalsContact OD1-CB 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.2Å; D95-S97 PolarHBondContact OD1-N 2.96Å; D95-S97 PolarHBondContact OD1-OG 3.06Å; D95-S97 PolarHBondContact OD2-OG 2.81Å; D95-N98 WeakPolarHBondContact O-CB 3Å; D95-N98 PolarHBondContact O-N 3.07Å; D95-Y104 VanDerWaalsContact O-CE2 3.29Å; D95-Y104 WeakPolarHBondContact O-CE2 3.21Å
96Q96.9Very high97.5Very high142 Ų14254.3 Ų54.366%0.66431%0.308SS*.G310 helixtrans-58.3-25.7-179.1-170.2177.1-4.100112.6Y94 N98 L99Y94-Q96 HydrophobicContact CE1-CB 4.33Å; Q96-N98 PolarHBondContact O-N 3.08Å; Q96-N98 VanDerWaalsContact O-N 3.16Å; Q96-L99 HydrophobicContact CG-CD1 4.01Å; Q96-L99 WeakPolarHBondContact O-CB 3.48Å; Q96-L99 PolarHBondContact O-N 2.81Å; Q96-L99 VanDerWaalsContact O-N 3.09Å
97S96.7Very high97.6Very high64 Ų6452 Ų5245%0.44829%0.291SS..G310 helixtrans-63.3-1817784.80000113.7D95D95-S97 PolarHBondContact O-N 3.42Å; D95-S97 VanDerWaalsContact O-N 3.12Å; D95-S97 VanDerWaalsContact OD1-CB 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.2Å; D95-S97 PolarHBondContact OD1-N 2.96Å; D95-S97 PolarHBondContact OD1-OG 3.06Å; D95-S97 PolarHBondContact OD2-OG 2.81Å
98N98Very high97.7Very high8 Ų846.3 Ų46.34%0.04327%0.265CS..G310 helixtrans-87.1-2177.1-70.2-36.1000113.7D95 Q96 V100 Y104 C105 R273D95-N98 WeakPolarHBondContact O-CB 3Å; D95-N98 PolarHBondContact O-N 3.07Å; Q96-N98 PolarHBondContact O-N 3.08Å; Q96-N98 VanDerWaalsContact O-N 3.16Å; N98-V100 PolarHBondContact O-N 2.84Å; N98-Y104 HydrophobicContact CB-CD2 4.27Å; N98-Y104 HydrophobicContact CB-CE1 4.46Å; N98-Y104 HydrophobicContact CB-CE2 3.86Å; N98-Y104 PolarHBondContact ND2-OH 2.91Å; N98-C105 WeakPolarHBondContact CB-O 3.5Å; N98-C105 PolarHBondContact O-N 2.88Å; N98-R273 HydrophobicContact CB-CG 4.46Å; N98-R273 VanDerWaalsContact OD1-CZ 3.29Å; N98-R273 PolarHBondContact OD1-NE 3.27Å; N98-R273 PolarHBondContact OD1-NH2 3.41Å
99L98Very high97.7Very high54 Ų5445 Ų4528%0.28326%0.262SS..EExtended strand (participates in β ladder)trans-70.1125.9171.5-74173.6000110.7M1 Q96 V103M1-L99 HydrophobicContact SD-CD2 4.24Å; Q96-L99 HydrophobicContact CG-CD1 4.01Å; Q96-L99 WeakPolarHBondContact O-CB 3.48Å; Q96-L99 PolarHBondContact O-N 2.81Å; Q96-L99 VanDerWaalsContact O-N 3.09Å; L99-V103 CarbonylContact C-O 3.57Å; L99-V103 WeakPolarHBondContact CA-O 3.49Å
100V98Very high97.7Very high18 Ų1845 Ų4511%0.10926%0.26CS..EExtended strand (participates in β ladder)trans-127.6110.3176.3-179.40000107.6N98 G102 V103 C105 R273 K274N98-V100 PolarHBondContact O-N 2.84Å; V100-G102 PolarHBondContact O-N 3.17Å; V100-G102 VanDerWaalsContact O-N 3.12Å; V100-V103 PolarHBondContact N-O 2.75Å; V100-V103 PolarHBondContact O-N 3.11Å; V100-C105 HydrophobicContact CG2-CB 4.14Å; V100-R273 HydrophobicContact CG2-CB 3.94Å; V100-R273 HydrophobicContact CG2-CG 3.87Å; V100-K274 HydrophobicContact CG1-CB 3.73Å; V100-K274 HydrophobicContact CG1-CD 3.94Å; V100-K274 HydrophobicContact CG1-CG 3.74Å; V100-K274 HydrophobicContact CG2-CB 4.07Å
101D95.7Very high97.7Very high121 Ų12143.7 Ų43.765%0.64726%0.255SS*.THydrogen-bonded Turntrans51.138.6176.4-50.4-47.3000113.6K274D101-K274 IonicContact OD1-NZ 2.66Å; D101-K274 PolarHBondContact OD1-NZ 2.89Å; D101-K274 WeakPolarHBondContact OD2-CE 3.47Å; D101-K274 IonicContact OD2-NZ 3.04Å; D101-K274 PolarHBondContact OD2-NZ 2.71Å
102G96.3Very high97.7Very high62 Ų6241.3 Ų41.364%0.63924%0.238SC*.THydrogen-bonded Turntrans88.6-1.6179.900000115.7V100V100-G102 PolarHBondContact O-N 3.17Å; V100-G102 VanDerWaalsContact O-N 3.12Å
103V98.3Very high97.7Very high24 Ų2444.3 Ų44.315%0.14525%0.252CS..EExtended strand (participates in β ladder)trans-106.7132176.4-173.40000109.7L2 R4 L99 V100 C105L2-V103 HydrophobicContact CB-CG1 4.34Å; L2-V103 HydrophobicContact CD2-CG1 4.12Å; L2-V103 HydrophobicContact CD2-CG2 3.94Å; L2-V103 HydrophobicContact CG-CG1 4.14Å; R4-V103 HydrophobicContact CB-CG1 3.98Å; L99-V103 CarbonylContact C-O 3.57Å; L99-V103 WeakPolarHBondContact CA-O 3.49Å; V100-V103 PolarHBondContact N-O 2.75Å; V100-V103 PolarHBondContact O-N 3.11Å; V103-C105 PolarHBondContact O-N 2.88Å
104Y98.6Very high97.6Very high1 Ų147.2 Ų47.20%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-77.4114.4171.1-178.1-81.8000109.2L2 Y3 R4 V93 Y94 D95 N98 H106L2-Y104 PolarHBondContact O-N 2.94Å; Y3-Y104 CarbonylContact C-O 3.59Å; Y3-Y104 VanDerWaalsContact CA-O 3.31Å; Y3-Y104 WeakPolarHBondContact CA-O 3.5Å; Y3-Y104 AromaticContact CD1-CD1 3.32Å; Y3-Y104 HydrophobicContact CD1-CD1 3.32Å; Y3-Y104 AromaticContact CD1-CE1 3.92Å; Y3-Y104 HydrophobicContact CD1-CE1 3.92Å; Y3-Y104 HydrophobicContact CD1-CG 4.02Å; Y3-Y104 HydrophobicContact CD2-CD1 4.48Å; Y3-Y104 HydrophobicContact CD2-CG 4.44Å; Y3-Y104 AromaticContact CE1-CD1 3.23Å; Y3-Y104 HydrophobicContact CE1-CD1 3.23Å; Y3-Y104 HydrophobicContact CE1-CD2 4.4Å; Y3-Y104 AromaticContact CE1-CE1 3.59Å; Y3-Y104 HydrophobicContact CE1-CE1 3.59Å; Y3-Y104 AromaticContact CE1-CG 3.7Å; Y3-Y104 HydrophobicContact CE1-CG 3.7Å; Y3-Y104 HydrophobicContact CE2-CD1 4.37Å; Y3-Y104 HydrophobicContact CE2-CG 4.11Å; Y3-Y104 AromaticContact CG-CD1 3.98Å; Y3-Y104 HydrophobicContact CG-CD1 3.98Å; Y3-Y104 HydrophobicContact CG-CG 4.37Å; Y3-Y104 AromaticContact CZ-CD1 3.78Å; Y3-Y104 AromaticContact CZ-CG 3.72Å; R4-Y104 PolarHBondContact N-O 3.07Å; V93-Y104 PolarHBondContact O-OH 3.48Å; Y94-Y104 AromaticContact CD2-CD2 3.51Å; Y94-Y104 HydrophobicContact CD2-CD2 3.51Å; Y94-Y104 AromaticContact CD2-CE2 3.43Å; Y94-Y104 HydrophobicContact CD2-CE2 3.43Å; Y94-Y104 VanDerWaalsContact CD2-CE2 3.43Å; Y94-Y104 AromaticContact CE2-CD2 3.49Å; Y94-Y104 HydrophobicContact CE2-CD2 3.49Å; Y94-Y104 VanDerWaalsContact CE2-CD2 3.49Å; Y94-Y104 AromaticContact CE2-CE2 3.83Å; Y94-Y104 HydrophobicContact CE2-CE2 3.83Å; Y94-Y104 HydrophobicContact CG-CE2 4.14Å; D95-Y104 VanDerWaalsContact O-CE2 3.29Å; D95-Y104 WeakPolarHBondContact O-CE2 3.21Å; N98-Y104 HydrophobicContact CB-CD2 4.27Å; N98-Y104 HydrophobicContact CB-CE1 4.46Å; N98-Y104 HydrophobicContact CB-CE2 3.86Å; N98-Y104 PolarHBondContact ND2-OH 2.91Å; Y104-H106 HydrophobicContact CE1-CB 4.2Å
105C98.7Very high97.5Very high2 Ų249.2 Ų49.21%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-103.9101.3-178.5-70.90000110N98 V100 V103 R273 Y277N98-C105 WeakPolarHBondContact CB-O 3.5Å; N98-C105 PolarHBondContact O-N 2.88Å; V100-C105 HydrophobicContact CG2-CB 4.14Å; V103-C105 PolarHBondContact O-N 2.88Å; C105-R273 HydrophobicContact CB-CG 3.52Å; C105-R273 WeakPolarHBondContact O-CD 3.18Å; C105-R273 WeakPolarHBondContact O-CG 3.39Å; C105-R273 PolarHBondContact O-NE 3.27Å; C105-Y277 HydrophobicContact CB-CD2 4Å; C105-Y277 HydrophobicContact CB-CE2 3.65Å
106H98.4Very high97.4Very high20 Ų2046.7 Ų46.79%0.09327%0.27CS..  trans-60.7139.3175.4-17557.9000109.8R4 F5 Y104 I108 Y277R4-H106 PolarHBondContact O-N 2.91Å; F5-H106 HydrophobicContact CD1-CB 3.66Å; F5-H106 AromaticContact CD1-CD2 3.93Å; F5-H106 HydrophobicContact CE1-CB 3.9Å; Y104-H106 HydrophobicContact CE1-CB 4.2Å; H106-I108 PolarHBondContact O-N 2.88Å; H106-Y277 VanDerWaalsContact O-CE2 3.27Å; H106-Y277 WeakPolarHBondContact O-CE2 3.42Å; H106-Y277 PolarHBondContact O-OH 3.07Å
107P98.4Very high97.3Very high44 Ų4445.7 Ų45.729%0.28627%0.265SS..  trans-45.2130.6175.4-16.27000112.8G109 R273P107-G109 PolarHBondContact O-N 2.9Å; P107-R273 VanDerWaalsContact CA-CZ 3.48Å
108I98.6Very high97.3Very high14 Ų1444.6 Ų44.67%0.07226%0.255CS..PPolyproline II helixtrans-62.1124.3174.4-64.1174.2000107.9G6 I8 L52 H106 Q276 Y277 T280G6-I108 WeakPolarHBondContact O-CA 3.43Å; I8-I108 HydrophobicContact CD1-CG2 3.71Å; I8-I108 HydrophobicContact CG1-CG2 3.66Å; L52-I108 HydrophobicContact CD1-CD1 3.98Å; L52-I108 HydrophobicContact CD1-CG1 4.26Å; L52-I108 HydrophobicContact CD1-CG2 3.68Å; L52-I108 HydrophobicContact CD2-CD1 3.8Å; H106-I108 PolarHBondContact O-N 2.88Å; I108-Q276 HydrophobicContact CD1-CG 4.26Å; I108-Y277 HydrophobicContact CD1-CD1 3.91Å; I108-Y277 HydrophobicContact CD1-CD2 3.97Å; I108-Y277 HydrophobicContact CD1-CE1 4.05Å; I108-Y277 HydrophobicContact CD1-CE2 4.09Å; I108-Y277 HydrophobicContact CD1-CG 3.88Å; I108-Y277 HydrophobicContact CG1-CD1 4.26Å; I108-Y277 HydrophobicContact CG1-CD2 4.02Å; I108-Y277 HydrophobicContact CG1-CE1 3.9Å; I108-Y277 HydrophobicContact CG1-CE2 3.62Å; I108-Y277 HydrophobicContact CG1-CG 4.33Å; I108-T280 HydrophobicContact CD1-CG2 4.15Å
109G97.9Very high97.1Very high10 Ų1047.2 Ų47.210%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-95159.3173.500000111.8G6 V7 I8 P107G6-G109 PolarHBondContact O-N 2.75Å; V7-G109 CarbonylContact C-O 3.24Å; V7-G109 VanDerWaalsContact CA-O 3.29Å; V7-G109 WeakPolarHBondContact CA-O 3.37Å; I8-G109 PolarHBondContact N-O 2.87Å; P107-G109 PolarHBondContact O-N 2.9Å
110H98.1Very high96.9Very high44 Ų4447.8 Ų47.820%0.20427%0.271CS..EExtended strand (participates in β ladder)trans-91.9145.3159-69.391.4000109.1I8 R90 I112 T118 E120I8-H110 WeakPolarHBondContact CD1-NE2 3.31Å; R90-H110 PolarHBondContact NH2-O 3.25Å; H110-I112 PolarHBondContact O-N 3.29Å; H110-T118 HydrophobicContact CB-CG2 3.96Å; H110-E120 HydrophobicContact CB-CG 3.93Å; H110-E120 VanDerWaalsContact CE1-CD 3.4Å; H110-E120 IonicContact CE1-OE2 3.47Å; H110-E120 PolarHBondContact CE1-OE2 2.88Å; H110-E120 VanDerWaalsContact CG-CG 3.48Å; H110-E120 IonicContact CG-OE1 3.25Å; H110-E120 WeakPolarHBondContact ND1-CG 3.35Å; H110-E120 IonicContact ND1-OE1 2.71Å; H110-E120 PolarHBondContact ND1-OE1 3.29Å; H110-E120 IonicContact ND1-OE2 2.67Å; H110-E120 PolarHBondContact ND1-OE2 3.21Å; H110-E120 VanDerWaalsContact ND1-OE2 3.11Å; H110-E120 IonicContact NE2-OE2 3.38Å
111W98.1Very high96.6Very high12 Ų1253.3 Ų53.35%0.04530%0.297CS..PPolyproline II helixtrans-49132.2174.4179.5-91.5000111V7 I8 L9 F71 K73 I80 E82 T118V7-W111 HydrophobicContact CG2-CB 4.47Å; I8-W111 PolarHBondContact O-N 2.62Å; L9-W111 HydrophobicContact CB-CB 3.78Å; L9-W111 HydrophobicContact CB-CG 4.38Å; L9-W111 HydrophobicContact CD2-CD2 4.5Å; L9-W111 HydrophobicContact CD2-CE3 3.89Å; F71-W111 HydrophobicContact CB-CE3 4.28Å; F71-W111 HydrophobicContact CB-CZ3 4.05Å; K73-W111 HydrophobicContact CB-CH2 4.21Å; K73-W111 HydrophobicContact CB-CZ3 4.35Å; K73-W111 HydrophobicContact CD-CH2 3.97Å; K73-W111 HydrophobicContact CD-CZ2 4.09Å; K73-W111 HydrophobicContact CD-CZ3 4.41Å; K73-W111 HydrophobicContact CG-CH2 3.77Å; K73-W111 HydrophobicContact CG-CZ2 4.25Å; K73-W111 HydrophobicContact CG-CZ3 4.34Å; I80-W111 HydrophobicContact CG2-CZ2 4.33Å; E82-W111 HydrophobicContact CB-CD2 3.93Å; E82-W111 HydrophobicContact CB-CE3 3.97Å; E82-W111 HydrophobicContact CB-CH2 3.89Å; E82-W111 HydrophobicContact CB-CZ2 3.85Å; E82-W111 HydrophobicContact CB-CZ3 3.96Å; W111-T118 WeakPolarHBondContact O-CA 3.27Å
112I98.3Very high96.5Very high17 Ų1753 Ų539%0.08729%0.29CS..PPolyproline II helixtrans-89120.3176.3-64161.4000107.5E82 G83 H88 R90 H110 T118E82-I112 CarbonylContact C-O 3.59Å; E82-I112 WeakPolarHBondContact CA-O 3.41Å; E82-I112 HydrophobicContact CB-CB 4.31Å; E82-I112 HydrophobicContact CG-CB 4.41Å; E82-I112 PolarHBondContact OE2-N 3.47Å; G83-I112 PolarHBondContact N-O 3.49Å; H88-I112 HydrophobicContact CB-CG2 4.44Å; R90-I112 HydrophobicContact CG-CD1 4.24Å; H110-I112 PolarHBondContact O-N 3.29Å; I112-T118 HydrophobicContact CG1-CG2 4.16Å
113E96.6Very high96.3Very high64 Ų6452.6 Ų52.630%0.29927%0.271SS..PPolyproline II helixtrans-70.2165.9175-62.5-59.3162.900111.4G83 T115 G116 H117G83-E113 WeakPolarHBondContact CA-O 3.48Å; E113-T115 PolarHBondContact O-N 3.42Å; E113-G116 PolarHBondContact O-N 2.94Å; E113-H117 WeakPolarHBondContact CB-O 3.46Å; E113-H117 PolarHBondContact N-O 3.12Å
114E95.3Very high96.1Very high142 Ų14253.9 Ų53.966%0.66428%0.279SS*.THydrogen-bonded Turntrans-53.6-28.5-179.6-173176.8-165.100112.9N84 G116N84-E114 HydrophobicContact CB-CG 4.27Å; N84-E114 WeakPolarHBondContact CB-O 3.37Å; E114-G116 PolarHBondContact O-N 2.85Å
115T95.1Very high95.9Very high95 Ų9556.4 Ų56.458%0.58330%0.295SS*.THydrogen-bonded Turntrans-69.7-16.8176.261.10000114.1E113 H117E113-T115 PolarHBondContact O-N 3.42Å; T115-H117 PolarHBondContact OG1-N 3.34Å
116G95.4Very high95.6Very high23 Ų2360 Ų6024%0.23731%0.314CS..SBendtrans92.5-4.5-172.200000114.9H88 E113 E114H88-G116 WeakPolarHBondContact CE1-CA 3.19Å; H88-G116 WeakPolarHBondContact NE2-CA 3.31Å; E113-G116 PolarHBondContact O-N 2.94Å; E114-G116 PolarHBondContact O-N 2.85Å
117H95.9Very high95.4Very high121 Ų12159.4 Ų59.456%0.5631%0.311SS*.  trans-95.2152.8178.2-61.2-61.8000111.7E113 T115 D119E113-H117 WeakPolarHBondContact CB-O 3.46Å; E113-H117 PolarHBondContact N-O 3.12Å; T115-H117 PolarHBondContact OG1-N 3.34Å; H117-D119 WeakPolarHBondContact CB-OD1 3.49Å
118T95Very high95.3Very high40 Ų4059.7 Ų59.725%0.24531%0.307CS..  trans-90.6-11.4174.955.60000113.4H110 W111 I112 E120 H123H110-T118 HydrophobicContact CB-CG2 3.96Å; W111-T118 WeakPolarHBondContact O-CA 3.27Å; I112-T118 HydrophobicContact CG1-CG2 4.16Å; T118-E120 PolarHBondContact O-N 3.48Å; T118-E120 PolarHBondContact OG1-OE1 3.12Å; T118-H123 PolarHBondContact O-CD2 2.99Å
119D94.4Very high95.1Very high63 Ų6365 Ų6534%0.33733%0.33SS..  trans48.429.5179-69.8-8.1000114.9H117 M121 K122 H123H117-D119 WeakPolarHBondContact CB-OD1 3.49Å; D119-M121 PolarHBondContact O-N 3.45Å; D119-M121 VanDerWaalsContact O-N 3.13Å; D119-K122 HydrophobicContact CB-CB 4.21Å; D119-K122 HydrophobicContact CB-CD 4.49Å; D119-K122 WeakPolarHBondContact O-CA 3.49Å; D119-K122 VanDerWaalsContact O-CB 3.32Å; D119-K122 WeakPolarHBondContact O-CB 3.47Å; D119-K122 PolarHBondContact O-N 2.98Å; D119-H123 PolarHBondContact O-CD2 3.41Å; D119-H123 PolarHBondContact O-N 3.18Å
120E93.2Very high94.9Very high66 Ų6665 Ų6531%0.30833%0.33SS..Hα-helixtrans-53.8-40.1-175.2-75.4174.1-122.700113.2H110 T118 K122 H123 T124H110-E120 HydrophobicContact CB-CG 3.93Å; H110-E120 VanDerWaalsContact CE1-CD 3.4Å; H110-E120 IonicContact CE1-OE2 3.47Å; H110-E120 PolarHBondContact CE1-OE2 2.88Å; H110-E120 VanDerWaalsContact CG-CG 3.48Å; H110-E120 IonicContact CG-OE1 3.25Å; H110-E120 WeakPolarHBondContact ND1-CG 3.35Å; H110-E120 IonicContact ND1-OE1 2.71Å; H110-E120 PolarHBondContact ND1-OE1 3.29Å; H110-E120 IonicContact ND1-OE2 2.67Å; H110-E120 PolarHBondContact ND1-OE2 3.21Å; H110-E120 VanDerWaalsContact ND1-OE2 3.11Å; H110-E120 IonicContact NE2-OE2 3.38Å; T118-E120 PolarHBondContact O-N 3.48Å; T118-E120 PolarHBondContact OG1-OE1 3.12Å; E120-K122 VanDerWaalsContact C-N 3.35Å; E120-H123 PolarHBondContact O-N 2.87Å; E120-T124 VanDerWaalsContact O-CB 3.28Å; E120-T124 WeakPolarHBondContact O-CB 3.33Å; E120-T124 PolarHBondContact O-N 3.35Å; E120-T124 PolarHBondContact O-OG1 3.22Å
121M92.8Very high94.7Very high134 Ų13463.6 Ų63.666%0.6632%0.324SS*.Hα-helixtrans-63.2-42177.2-176.3176.6-68.600111.5D119 T125 M219D119-M121 PolarHBondContact O-N 3.45Å; D119-M121 VanDerWaalsContact O-N 3.13Å; M121-T125 VanDerWaalsContact O-CB 3.25Å; M121-T125 WeakPolarHBondContact O-CB 3.45Å; M121-T125 PolarHBondContact O-N 3.23Å; M121-T125 PolarHBondContact O-OG1 2.85Å; M121-M219 HydrophobicContact CE-CE 4Å
122K93.4Very high94.6Very high114 Ų11463.7 Ų63.750%0.49633%0.328SS..Hα-helixtrans-64.1-51176.9175.9-172.715958.80110.1D119 E120 T124 T125 D126D119-K122 HydrophobicContact CB-CB 4.21Å; D119-K122 HydrophobicContact CB-CD 4.49Å; D119-K122 WeakPolarHBondContact O-CA 3.49Å; D119-K122 VanDerWaalsContact O-CB 3.32Å; D119-K122 WeakPolarHBondContact O-CB 3.47Å; D119-K122 PolarHBondContact O-N 2.98Å; E120-K122 VanDerWaalsContact C-N 3.35Å; K122-T124 VanDerWaalsContact C-N 3.33Å; K122-T124 PolarHBondContact O-N 3.48Å; K122-T125 WeakPolarHBondContact O-CB 3.49Å; K122-T125 PolarHBondContact O-N 2.81Å; K122-T125 VanDerWaalsContact O-N 3.11Å; K122-D126 IonicContact NZ-OD2 3.25Å; K122-D126 PolarHBondContact NZ-OD2 3.45Å; K122-D126 WeakPolarHBondContact O-CB 3.17Å; K122-D126 PolarHBondContact O-N 2.93Å
123H92.3Very high94.4Very high54 Ų5466.1 Ų66.125%0.2536%0.356CS..Hα-helixtrans-61.3-41.2-179.5-64.2-57.5000112.7T118 D119 E120 T125 D126 F127T118-H123 PolarHBondContact O-CD2 2.99Å; D119-H123 PolarHBondContact O-CD2 3.41Å; D119-H123 PolarHBondContact O-N 3.18Å; E120-H123 PolarHBondContact O-N 2.87Å; H123-T125 VanDerWaalsContact C-N 3.31Å; H123-T125 PolarHBondContact O-N 3.19Å; H123-D126 PolarHBondContact O-N 3.31Å; H123-F127 WeakPolarHBondContact O-CB 3.49Å; H123-F127 PolarHBondContact O-N 3.31Å
124T93.4Very high94.4Very high52 Ų5269.3 Ų69.332%0.31937%0.371SS..Hα-helixtrans-62.2-41.6175.3-610000111.5E120 K122 Y128 V253E120-T124 VanDerWaalsContact O-CB 3.28Å; E120-T124 WeakPolarHBondContact O-CB 3.33Å; E120-T124 PolarHBondContact O-N 3.35Å; E120-T124 PolarHBondContact O-OG1 3.22Å; K122-T124 VanDerWaalsContact C-N 3.33Å; K122-T124 PolarHBondContact O-N 3.48Å; T124-Y128 WeakPolarHBondContact O-CB 3.29Å; T124-Y128 PolarHBondContact O-N 3.47Å; T124-V253 HydrophobicContact CG2-CB 4.43Å; T124-V253 HydrophobicContact CG2-CG1 3.81Å; T124-V253 HydrophobicContact CG2-CG2 4.37Å
125T93.8Very high94.4Very high54 Ų5466.5 Ų66.533%0.33136%0.358SS..Hα-helixtrans-66.8-45.5178.7-61.70000111.2M121 K122 H123 F127 Y128 F129M121-T125 VanDerWaalsContact O-CB 3.25Å; M121-T125 WeakPolarHBondContact O-CB 3.45Å; M121-T125 PolarHBondContact O-N 3.23Å; M121-T125 PolarHBondContact O-OG1 2.85Å; K122-T125 WeakPolarHBondContact O-CB 3.49Å; K122-T125 PolarHBondContact O-N 2.81Å; K122-T125 VanDerWaalsContact O-N 3.11Å; H123-T125 VanDerWaalsContact C-N 3.31Å; H123-T125 PolarHBondContact O-N 3.19Å; T125-F127 PolarHBondContact O-N 2.86Å; T125-Y128 PolarHBondContact O-N 3Å; T125-F129 HydrophobicContact CG2-CD2 3.42Å; T125-F129 VanDerWaalsContact CG2-CD2 3.42Å; T125-F129 HydrophobicContact CG2-CE2 3.23Å; T125-F129 HydrophobicContact CG2-CZ 4.37Å; T125-F129 WeakPolarHBondContact O-CB 3.43Å; T125-F129 VanDerWaalsContact O-CD2 3.28Å; T125-F129 WeakPolarHBondContact O-CD2 3.33Å; T125-F129 PolarHBondContact O-N 3.14Å
126D93.6Very high94.5Very high77 Ų7763.3 Ų63.341%0.41234%0.342SS..Hα-helixtrans-61.6-43.2176.9-71.1-17.8000111.1K122 H123 G130K122-D126 IonicContact NZ-OD2 3.25Å; K122-D126 PolarHBondContact NZ-OD2 3.45Å; K122-D126 WeakPolarHBondContact O-CB 3.17Å; K122-D126 PolarHBondContact O-N 2.93Å; H123-D126 PolarHBondContact O-N 3.31Å; D126-G130 PolarHBondContact O-N 3.46Å
127F93.8Very high94.6Very high8 Ų863.1 Ų63.14%0.03534%0.335CS..Hα-helixtrans-59.3-51.6173.5170.6-101000111.6E49 H123 T125 F129 G130 V131 H138 V253 A285E49-F127 HydrophobicContact CG-CD2 4.32Å; E49-F127 HydrophobicContact CG-CE2 4.03Å; H123-F127 WeakPolarHBondContact O-CB 3.49Å; H123-F127 PolarHBondContact O-N 3.31Å; T125-F127 PolarHBondContact O-N 2.86Å; F127-F129 PolarHBondContact O-N 3.42Å; F127-G130 PolarHBondContact O-N 3.35Å; F127-V131 HydrophobicContact CE1-CG2 4.41Å; F127-V131 HydrophobicContact CE2-CG2 4.1Å; F127-V131 HydrophobicContact CZ-CG2 4Å; F127-V131 WeakPolarHBondContact O-CG2 3.25Å; F127-V131 PolarHBondContact O-N 3.01Å; F127-V131 VanDerWaalsContact O-N 3.09Å; F127-H138 AromaticContact CE2-CD2 3.85Å; F127-H138 HydrophobicContact CZ-CB 4.43Å; F127-V253 HydrophobicContact CD1-CG2 4.25Å; F127-V253 HydrophobicContact CE1-CG2 4.22Å; F127-A285 HydrophobicContact CD1-CB 4Å; F127-A285 HydrophobicContact CD2-CB 4.29Å; F127-A285 HydrophobicContact CE1-CB 3.91Å; F127-A285 HydrophobicContact CE2-CB 4.21Å; F127-A285 HydrophobicContact CG-CB 4.2Å; F127-A285 HydrophobicContact CZ-CB 4.02Å
128Y95.6Very high94.6Very high50 Ų5058.9 Ų58.920%0.19632%0.315CS..Hα-helixtrans-60.1-48-179.8163.5-109.2000112.2T124 T125 G130 V131 A132 N183 N250 A251T124-Y128 WeakPolarHBondContact O-CB 3.29Å; T124-Y128 PolarHBondContact O-N 3.47Å; T125-Y128 PolarHBondContact O-N 3Å; Y128-G130 VanDerWaalsContact C-N 3.29Å; Y128-G130 PolarHBondContact O-N 3.32Å; Y128-V131 PolarHBondContact O-N 3.07Å; Y128-A132 HydrophobicContact CE2-CB 4.3Å; Y128-A132 WeakPolarHBondContact O-CB 3.39Å; Y128-A132 PolarHBondContact O-N 3.4Å; Y128-N183 WeakPolarHBondContact CE2-OD1 3.49Å; Y128-N183 PolarHBondContact OH-ND2 3.34Å; Y128-N183 PolarHBondContact OH-OD1 3.32Å; Y128-N250 HydrophobicContact CE2-CB 4.12Å; Y128-A251 HydrophobicContact CD2-CB 3.78Å; Y128-A251 HydrophobicContact CG-CB 4.3Å
129F94.8Very high94.7Very high125 Ų12559.4 Ų59.455%0.54831%0.314SS..Hα-helixtrans-67.3-30.7178.1-75.6-51.5000112.5T125 F127 G133T125-F129 HydrophobicContact CG2-CD2 3.42Å; T125-F129 VanDerWaalsContact CG2-CD2 3.42Å; T125-F129 HydrophobicContact CG2-CE2 3.23Å; T125-F129 HydrophobicContact CG2-CZ 4.37Å; T125-F129 WeakPolarHBondContact O-CB 3.43Å; T125-F129 VanDerWaalsContact O-CD2 3.28Å; T125-F129 WeakPolarHBondContact O-CD2 3.33Å; T125-F129 PolarHBondContact O-N 3.14Å; F127-F129 PolarHBondContact O-N 3.42Å; F129-G133 WeakPolarHBondContact O-CA 3.33Å; F129-G133 PolarHBondContact O-N 3.33Å
130G93.7Very high94.9Very high11 Ų1157.7 Ų57.711%0.11331%0.305CS..Hα-helixtrans-58.3-48.2170.400000112.2D126 F127 Y128 Q134D126-G130 PolarHBondContact O-N 3.46Å; F127-G130 PolarHBondContact O-N 3.35Å; Y128-G130 VanDerWaalsContact C-N 3.29Å; Y128-G130 PolarHBondContact O-N 3.32Å; G130-Q134 WeakPolarHBondContact O-CG 3.31Å
131V94.7Very high95.1Very high14 Ų1461.6 Ų61.69%0.08532%0.317CS..Hα-helixtrans-68.3-48.5177.9177.50000111.2F127 Y128 Q134 A136 H138F127-V131 HydrophobicContact CE1-CG2 4.41Å; F127-V131 HydrophobicContact CE2-CG2 4.1Å; F127-V131 HydrophobicContact CZ-CG2 4Å; F127-V131 WeakPolarHBondContact O-CG2 3.25Å; F127-V131 PolarHBondContact O-N 3.01Å; F127-V131 VanDerWaalsContact O-N 3.09Å; Y128-V131 PolarHBondContact O-N 3.07Å; V131-Q134 PolarHBondContact O-N 2.96Å; V131-A136 HydrophobicContact CG1-CB 4.31Å; V131-A136 WeakPolarHBondContact CG1-O 3.38Å; V131-A136 PolarHBondContact O-N 2.88Å; V131-H138 HydrophobicContact CG1-CB 4.13Å; V131-H138 HydrophobicContact CG2-CB 3.84Å
132A95.7Very high95.2Very high14 Ų1455.3 Ų55.312%0.11629%0.286CS..Hα-helixtrans-68.2-39.4-176.400000112.8Y128 Q134 Q135Y128-A132 HydrophobicContact CE2-CB 4.3Å; Y128-A132 WeakPolarHBondContact O-CB 3.39Å; Y128-A132 PolarHBondContact O-N 3.4Å; A132-Q134 PolarHBondContact O-N 3.31Å; A132-Q135 WeakPolarHBondContact O-CA 3.46Å; A132-Q135 PolarHBondContact O-N 3.5Å; A132-Q135 PolarHBondContact O-NE2 3.45Å
133G94.8Very high95.3Very high67 Ų6750.2 Ų50.269%0.69126%0.264SS*.Hα-helixtrans-64.6-25.5179.200000113.5F129 Q135F129-G133 WeakPolarHBondContact O-CA 3.33Å; F129-G133 PolarHBondContact O-N 3.33Å; G133-Q135 VanDerWaalsContact C-N 3.3Å
134Q95.1Very high95.5Very high131 Ų13149.9 Ų49.961%0.61227%0.267SS*.THydrogen-bonded Turntrans-89.73.9173.2-64177.916.700112.9G130 V131 A132 A136G130-Q134 WeakPolarHBondContact O-CG 3.31Å; V131-Q134 PolarHBondContact O-N 2.96Å; A132-Q134 PolarHBondContact O-N 3.31Å; Q134-A136 HydrophobicContact CB-CB 4.06Å; Q134-A136 PolarHBondContact O-N 2.95Å; Q134-A136 VanDerWaalsContact O-N 3.14Å
135Q96.4Very high95.7Very high84 Ų8450.2 Ų50.239%0.39326%0.262SS..THydrogen-bonded Turntrans5034.6-169.5-65.2-65.4-6800112A132 G133 Q154 H157A132-Q135 WeakPolarHBondContact O-CA 3.46Å; A132-Q135 PolarHBondContact O-N 3.5Å; A132-Q135 PolarHBondContact O-NE2 3.45Å; G133-Q135 VanDerWaalsContact C-N 3.3Å; Q135-Q154 PolarHBondContact O-NE2 2.84Å; Q135-H157 PolarHBondContact O-CE1 3.43Å
136A96.2Very high95.9Very high28 Ų2847.6 Ų47.623%0.23125%0.246CC..  trans-94.6168.6-173.200000112.3V131 Q134 R153V131-A136 HydrophobicContact CG1-CB 4.31Å; V131-A136 WeakPolarHBondContact CG1-O 3.38Å; V131-A136 PolarHBondContact O-N 2.88Å; Q134-A136 HydrophobicContact CB-CB 4.06Å; Q134-A136 PolarHBondContact O-N 2.95Å; Q134-A136 VanDerWaalsContact O-N 3.14Å; A136-R153 WeakPolarHBondContact O-CD 3.43Å; A136-R153 PolarHBondContact O-NH1 3.37Å
137M97.5Very high96.1Very high19 Ų1944.8 Ų44.89%0.09423%0.23CC..  trans-121.6121.2168.2-172.617568.200109.5F139 S150 P152 H157 K161 L162 Y246M137-F139 HydrophobicContact CE-CD1 4.11Å; M137-F139 HydrophobicContact CE-CE1 4.14Å; M137-F139 HydrophobicContact CG-CD1 4.34Å; M137-S150 WeakPolarHBondContact CA-OG 3.34Å; M137-P152 HydrophobicContact SD-CB 4.1Å; M137-H157 HydrophobicContact CB-CB 4.45Å; M137-H157 HydrophobicContact CE-CB 3.93Å; M137-H157 HydrophobicContact SD-CB 3.9Å; M137-K161 HydrophobicContact CE-CB 3.87Å; M137-K161 HydrophobicContact CE-CG 3.51Å; M137-L162 HydrophobicContact CE-CD2 3.69Å; M137-L162 HydrophobicContact CE-CG 4.02Å; M137-L162 HydrophobicContact SD-CD2 4.18Å; M137-L162 HydrophobicContact SD-CG 4.43Å; M137-Y246 HydrophobicContact SD-CE1 4.36Å
138H96.9Very high96.4Very high32 Ų3244.4 Ų44.415%0.14823%0.229CC..  trans-112.8131.1179.1-173.8-45.7000110.4E49 F127 V131 N140 G149 S150 R283E49-H138 IonicContact OE1-CD2 3.96Å; E49-H138 IonicContact OE1-NE2 2.62Å; E49-H138 PolarHBondContact OE1-NE2 2.92Å; E49-H138 IonicContact OE2-NE2 2.75Å; E49-H138 PolarHBondContact OE2-NE2 2.99Å; F127-H138 AromaticContact CE2-CD2 3.85Å; F127-H138 HydrophobicContact CZ-CB 4.43Å; V131-H138 HydrophobicContact CG1-CB 4.13Å; V131-H138 HydrophobicContact CG2-CB 3.84Å; H138-N140 PolarHBondContact CE1-OD1 3.17Å; H138-G149 CarbonylContact O-C 3.58Å; H138-G149 WeakPolarHBondContact O-CA 3.39Å; H138-S150 PolarHBondContact N-OG 3.01Å; H138-S150 PolarHBondContact O-N 3.36Å; H138-S150 PolarHBondContact O-OG 2.77Å; H138-R283 PolarHBondContact CE1-NH1 2.86Å; H138-R283 PolarHBondContact ND1-NH1 3.12Å
139F97.5Very high96.5Very high51 Ų5142 Ų4222%0.22422%0.219CC..EExtended strand (participates in β ladder)trans-150.7163.3-176.957.5-90.1000112.1M137 F147 L148 K161 L166 Y246M137-F139 HydrophobicContact CE-CD1 4.11Å; M137-F139 HydrophobicContact CE-CE1 4.14Å; M137-F139 HydrophobicContact CG-CD1 4.34Å; F139-F147 HydrophobicContact CD2-CD1 4.14Å; F139-L148 CarbonylContact C-O 3.53Å; F139-L148 VanDerWaalsContact CA-O 3.31Å; F139-L148 WeakPolarHBondContact CA-O 3.45Å; F139-K161 HydrophobicContact CE1-CD 4.1Å; F139-K161 HydrophobicContact CE1-CG 3.92Å; F139-K161 HydrophobicContact CZ-CD 4.02Å; F139-K161 HydrophobicContact CZ-CG 4.2Å; F139-L166 HydrophobicContact CD2-CD1 3.88Å; F139-L166 HydrophobicContact CE1-CD1 4.2Å; F139-L166 HydrophobicContact CE2-CD1 3.51Å; F139-L166 HydrophobicContact CE2-CD2 3.6Å; F139-L166 HydrophobicContact CE2-CG 4.15Å; F139-L166 HydrophobicContact CG-CD1 4.38Å; F139-L166 HydrophobicContact CZ-CD1 3.69Å; F139-L166 HydrophobicContact CZ-CD2 3.94Å; F139-L166 HydrophobicContact CZ-CG 4.25Å; F139-Y246 HydrophobicContact CB-CE2 3.68Å; F139-Y246 HydrophobicContact CG-CE2 4.17Å
140N96.9Very high96.7Very high27 Ų2736.1 Ų36.114%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-137.1146.4172.7-60.588.2000109.4H138 V142 F147 L148 R282 R283H138-N140 PolarHBondContact CE1-OD1 3.17Å; N140-V142 PolarHBondContact O-N 2.92Å; N140-F147 WeakPolarHBondContact O-CA 3.39Å; N140-L148 PolarHBondContact N-O 3.47Å; N140-L148 PolarHBondContact O-N 3.45Å; N140-R282 WeakPolarHBondContact CB-O 3.47Å; N140-R282 PolarHBondContact ND2-O 2.86Å; N140-R282 VanDerWaalsContact ND2-O 3.11Å; N140-R283 HydrophobicContact CB-CB 4.19Å; N140-R283 WeakPolarHBondContact OD1-CG 3.34Å; N140-R283 PolarHBondContact OD1-NH1 2.97Å
141R97.4Very high96.9Very high147 Ų14735.6 Ų35.656%0.55519%0.188SC*.EExtended strand (participates in β ladder)trans-77.9114.8170.4-168.5176.4-174.6-1664.6108.7L143 P144 F147R141-L143 VanDerWaalsContact CG-O 3.24Å; R141-L143 WeakPolarHBondContact CG-O 3.16Å; R141-P144 PolarHBondContact NE-O 3.31Å; R141-P144 PolarHBondContact NH2-O 3.38Å; R141-F147 HydrophobicContact CB-CD1 3.83Å; R141-F147 HydrophobicContact CB-CE1 3.62Å; R141-F147 HydrophobicContact CB-CZ 4.36Å; R141-F147 HydrophobicContact CG-CD1 4.19Å; R141-F147 HydrophobicContact CG-CE1 3.85Å; R141-F147 HydrophobicContact CG-CZ 4.1Å
142V96.3Very high97.1Very high3 Ų335 Ų352%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-91.8-46-177.1-179.50000111.4N140 V146 L148 V260 F278 V279 R282N140-V142 PolarHBondContact O-N 2.92Å; V142-V146 PolarHBondContact N-O 2.77Å; V142-L148 HydrophobicContact CG2-CB 3.53Å; V142-L148 HydrophobicContact CG2-CD2 4.08Å; V142-L148 HydrophobicContact CG2-CG 4.46Å; V142-V260 HydrophobicContact CB-CG1 4.43Å; V142-V260 HydrophobicContact CG1-CG1 3.85Å; V142-F278 HydrophobicContact CG1-CD1 4.39Å; V142-F278 HydrophobicContact CG1-CE1 3.77Å; V142-F278 WeakPolarHBondContact O-CE1 3.39Å; V142-F278 WeakPolarHBondContact O-CZ 3.37Å; V142-V279 HydrophobicContact CG1-CG2 4.48Å; V142-R282 VanDerWaalsContact O-CD 3.24Å; V142-R282 WeakPolarHBondContact O-CD 3.18Å; V142-R282 PolarHBondContact O-NE 2.86Å; V142-R282 VanDerWaalsContact O-NE 3.07Å
143L96.1Very high97.3Very high7 Ų734.4 Ų34.44%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-125.4166.8171.6-64.5167000108.8R141 R145 V146 L263 L264 F278 Y313R141-L143 VanDerWaalsContact CG-O 3.24Å; R141-L143 WeakPolarHBondContact CG-O 3.16Å; L143-R145 PolarHBondContact O-N 3.26Å; L143-V146 HydrophobicContact CB-CB 3.92Å; L143-V146 HydrophobicContact CB-CG2 4.03Å; L143-V146 HydrophobicContact CD1-CB 4.4Å; L143-V146 HydrophobicContact CD1-CG2 4Å; L143-V146 PolarHBondContact N-O 3.12Å; L143-V146 PolarHBondContact O-N 3.44Å; L143-V146 VanDerWaalsContact O-O 3.13Å; L143-L263 HydrophobicContact CD1-CD2 4.1Å; L143-L264 HydrophobicContact CD1-CD2 3.96Å; L143-L264 HydrophobicContact CD2-CD2 4.22Å; L143-L264 HydrophobicContact CG-CD2 4.48Å; L143-F278 HydrophobicContact CD2-CE1 4.03Å; L143-F278 HydrophobicContact CD2-CZ 3.69Å; L143-Y313 HydrophobicContact CB-CD1 4.23Å; L143-Y313 HydrophobicContact CB-CE1 4.35Å; L143-Y313 HydrophobicContact CD1-CD1 3.93Å; L143-Y313 HydrophobicContact CD1-CE1 3.78Å; L143-Y313 HydrophobicContact CD2-CD1 3.88Å; L143-Y313 HydrophobicContact CG-CD1 4.24Å; L143-Y313 HydrophobicContact CG-CE1 4.46Å
144P95.1Very high97.4Very high46 Ų4634.7 Ų34.730%0.29916%0.163SC..THydrogen-bonded Turntrans-49.9-35.6-179.6-30.736.5000114.1R141 P314R141-P144 PolarHBondContact NE-O 3.31Å; R141-P144 PolarHBondContact NH2-O 3.38Å; P144-P314 HydrophobicContact CG-CG 3.94Å
145R97.3Very high97.5Very high59 Ų5929.9 Ų29.922%0.22314%0.142CC..THydrogen-bonded Turntrans-118.618.6-179.7-73.9174.848.5-143.5-22.9113.7L143 L239 G242 H243 V245L143-R145 PolarHBondContact O-N 3.26Å; R145-L239 HydrophobicContact CB-CD2 4Å; R145-L239 PolarHBondContact NH1-O 3.39Å; R145-L239 PolarHBondContact NH2-O 2.88Å; R145-G242 VanDerWaalsContact CZ-CA 3.47Å; R145-G242 VanDerWaalsContact CZ-O 3.31Å; R145-G242 PolarHBondContact NE-O 3.11Å; R145-G242 PolarHBondContact NH2-O 3.36Å; R145-H243 VanDerWaalsContact CZ-O 3.26Å; R145-H243 PolarHBondContact NE-O 3.21Å; R145-H243 VanDerWaalsContact NH2-C 3.27Å; R145-H243 PolarHBondContact NH2-O 2.76Å; R145-V245 PolarHBondContact O-N 3.31Å
146V98.6Very high97.6Very high0 Ų030.4 Ų30.40%014%0.144CC..EExtended strand (participates in β ladder)trans-128.7117.4177.4-176.40000109.8V142 L143 L239 V245 V247 V260V142-V146 PolarHBondContact N-O 2.77Å; L143-V146 HydrophobicContact CB-CB 3.92Å; L143-V146 HydrophobicContact CB-CG2 4.03Å; L143-V146 HydrophobicContact CD1-CB 4.4Å; L143-V146 HydrophobicContact CD1-CG2 4Å; L143-V146 PolarHBondContact N-O 3.12Å; L143-V146 PolarHBondContact O-N 3.44Å; L143-V146 VanDerWaalsContact O-O 3.13Å; V146-L239 HydrophobicContact CG2-CD1 3.79Å; V146-L239 HydrophobicContact CG2-CD2 3.76Å; V146-L239 HydrophobicContact CG2-CG 4.38Å; V146-V245 WeakPolarHBondContact CA-O 3.17Å; V146-V247 HydrophobicContact CG1-CG2 3.98Å; V146-V260 HydrophobicContact CG1-CG2 4.02Å
147F98.8Very high97.7Very high18 Ų1830.2 Ų30.28%0.07914%0.139CC..EExtended strand (participates in β ladder)trans-101.6141.9166.9-68.2-89.3000109.6F139 N140 R141 L166 V168 T244 V245 Y246 V247F139-F147 HydrophobicContact CD2-CD1 4.14Å; N140-F147 WeakPolarHBondContact O-CA 3.39Å; R141-F147 HydrophobicContact CB-CD1 3.83Å; R141-F147 HydrophobicContact CB-CE1 3.62Å; R141-F147 HydrophobicContact CB-CZ 4.36Å; R141-F147 HydrophobicContact CG-CD1 4.19Å; R141-F147 HydrophobicContact CG-CE1 3.85Å; R141-F147 HydrophobicContact CG-CZ 4.1Å; F147-L166 HydrophobicContact CD1-CD1 4.36Å; F147-L166 HydrophobicContact CE1-CD1 4.39Å; F147-L166 HydrophobicContact CE1-CD2 3.92Å; F147-L166 HydrophobicContact CE2-CB 4.32Å; F147-L166 HydrophobicContact CZ-CB 4.2Å; F147-L166 HydrophobicContact CZ-CD2 4.11Å; F147-V168 HydrophobicContact CD2-CG2 4.28Å; F147-T244 HydrophobicContact CD2-CG2 3.93Å; F147-T244 HydrophobicContact CE2-CG2 3.66Å; F147-V245 PolarHBondContact N-O 3.23Å; F147-Y246 HydrophobicContact CB-CD2 3.56Å; F147-Y246 HydrophobicContact CB-CE2 4.16Å; F147-V247 PolarHBondContact O-N 2.93Å
148L98.8Very high97.7Very high0 Ų029.3 Ų29.30%013%0.134CC..EExtended strand (participates in β ladder)trans-123.5127.3176.5174.361.3000108.9F139 N140 V142 V247 S256 T257 V260 V279 V286F139-L148 CarbonylContact C-O 3.53Å; F139-L148 VanDerWaalsContact CA-O 3.31Å; F139-L148 WeakPolarHBondContact CA-O 3.45Å; N140-L148 PolarHBondContact N-O 3.47Å; N140-L148 PolarHBondContact O-N 3.45Å; V142-L148 HydrophobicContact CG2-CB 3.53Å; V142-L148 HydrophobicContact CG2-CD2 4.08Å; V142-L148 HydrophobicContact CG2-CG 4.46Å; L148-V247 WeakPolarHBondContact CA-O 3.42Å; L148-S256 VanDerWaalsContact CD1-OG 3.31Å; L148-S256 WeakPolarHBondContact CD1-OG 3.29Å; L148-T257 HydrophobicContact CD2-CG2 4.45Å; L148-V260 HydrophobicContact CD1-CG2 4.28Å; L148-V279 HydrophobicContact CD2-CG1 4.33Å; L148-V286 HydrophobicContact CD2-CG1 3.91Å
149G98.5Very high97.8Very high0 Ų029.7 Ų29.70%014%0.139CC..EExtended strand (participates in β ladder)trans-168.7-173.8-176.800000116.2H138 Y246 V247 H248 G252H138-G149 CarbonylContact O-C 3.58Å; H138-G149 WeakPolarHBondContact O-CA 3.39Å; G149-Y246 WeakPolarHBondContact CA-OH 3.45Å; G149-V247 PolarHBondContact N-O 2.76Å; G149-H248 WeakPolarHBondContact O-CA 3.32Å; G149-H248 WeakPolarHBondContact O-CB 3.46Å; G149-G252 VanDerWaalsContact C-CA 3.45Å; G149-G252 WeakPolarHBondContact O-CA 3.42Å; G149-G252 PolarHBondContact O-N 2.85Å
150S98.7Very high97.9Very high1 Ų131.7 Ų31.71%0.00715%0.151CC..PPolyproline II helixtrans-75.1165.9174.670.30000111.7M137 H138 Y246 N250M137-S150 WeakPolarHBondContact CA-OG 3.34Å; H138-S150 PolarHBondContact N-OG 3.01Å; H138-S150 PolarHBondContact O-N 3.36Å; H138-S150 PolarHBondContact O-OG 2.77Å; S150-Y246 PolarHBondContact N-OH 2.9Å; S150-Y246 PolarHBondContact O-OH 3.13Å; S150-N250 WeakPolarHBondContact CA-O 3.49Å; S150-N250 VanDerWaalsContact CB-O 3.24Å; S150-N250 WeakPolarHBondContact CB-O 3.47Å
151C98.7Very high97.9Very high0 Ų033.3 Ų33.30%016%0.157CC..PPolyproline II helixtrans-65.6154.1174.961.90000112.2R153 Q175 N183 H248 C249 N250C151-R153 PolarHBondContact O-NH1 2.97Å; C151-R153 PolarHBondContact SG-NH2 3.29Å; C151-R153 VanDerWaalsContact SG-NH2 3.41Å; C151-Q175 PolarHBondContact SG-NE2 3.46Å; C151-N183 VanDerWaalsContact SG-CB 3.54Å; C151-H248 WeakPolarHBondContact CA-ND1 3.43Å; C151-C249 WeakPolarHBondContact CB-O 3.42Å; C151-C249 PolarHBondContact N-O 2.85Å; C151-N250 PolarHBondContact N-O 3.46Å
152P98.6Very high98Very high0 Ų026.3 Ų26.30%013%0.131CC..PPolyproline II helixtrans-65.3141.1164.729.7-35.2000110M137 H157 V158 S184 M200M137-P152 HydrophobicContact SD-CB 4.1Å; P152-H157 HydrophobicContact CB-CB 3.62Å; P152-V158 HydrophobicContact CB-CG2 3.8Å; P152-V158 HydrophobicContact CG-CG2 3.91Å; P152-S184 PolarHBondContact O-OG 3.45Å; P152-M200 HydrophobicContact CG-CE 3.69Å
153R98.3Very high98.1Very high2 Ų229.9 Ų29.91%0.00815%0.146CC..  trans-118.3-3.8179.2-56.2-165.4157.763.19.9114.2A136 C151 H157 N183 G186 N250A136-R153 WeakPolarHBondContact O-CD 3.43Å; A136-R153 PolarHBondContact O-NH1 3.37Å; C151-R153 PolarHBondContact O-NH1 2.97Å; C151-R153 PolarHBondContact SG-NH2 3.29Å; C151-R153 VanDerWaalsContact SG-NH2 3.41Å; R153-H157 PolarHBondContact N-ND1 2.85Å; R153-H157 VanDerWaalsContact N-ND1 3.18Å; R153-N183 WeakPolarHBondContact CG-O 3.35Å; R153-N183 PolarHBondContact NH2-OD1 3.23Å; R153-G186 CarbonylContact O-C 3.55Å; R153-G186 WeakPolarHBondContact O-CA 3.45Å; R153-N250 PolarHBondContact NH2-O 3.49Å
154Q97.4Very high98.2Very high74 Ų7435.6 Ų35.635%0.34617%0.173SC..SBendtrans-146.5151.2-175.3-58.2-179.135.300107.4Q135 E156 H157 G186 C187Q135-Q154 PolarHBondContact O-NE2 2.84Å; Q154-E156 PolarHBondContact O-N 3.04Å; Q154-H157 WeakPolarHBondContact CB-ND1 3.33Å; Q154-H157 PolarHBondContact N-ND1 3.43Å; Q154-H157 VanDerWaalsContact O-CB 3.31Å; Q154-H157 WeakPolarHBondContact O-CB 3.31Å; Q154-H157 PolarHBondContact O-N 3.19Å; Q154-H157 VanDerWaalsContact O-N 3.07Å; Q154-G186 WeakPolarHBondContact CA-O 3.43Å; Q154-C187 PolarHBondContact N-SG 3.09Å; Q154-C187 VanDerWaalsContact N-SG 3.42Å
155V97.5Very high98.4Very high30 Ų3039.2 Ų39.218%0.18219%0.185CC..Hα-helixtrans-56.3-39.9-179.81760000111.2H157 V158 T159 G186 L203V155-H157 PolarHBondContact O-N 2.73Å; V155-V158 PolarHBondContact O-N 2.89Å; V155-T159 HydrophobicContact CG1-CG2 3.75Å; V155-T159 PolarHBondContact O-N 3.48Å; V155-T159 PolarHBondContact O-OG1 2.76Å; V155-G186 PolarHBondContact N-O 3.16Å; V155-L203 HydrophobicContact CG1-CD1 4.11Å
156E98Very high98.4Very high94 Ų9438.1 Ų38.144%0.43918%0.184SC..Hα-helixtrans-63.8-26.9-179-65.168.6-148.600112.6Q154 V158 T159 L160 K161Q154-E156 PolarHBondContact O-N 3.04Å; E156-V158 PolarHBondContact O-N 2.88Å; E156-T159 WeakPolarHBondContact CA-OG1 3.21Å; E156-L160 HydrophobicContact CB-CD1 4.14Å; E156-L160 HydrophobicContact CB-CG 4.46Å; E156-L160 HydrophobicContact CG-CD1 4.09Å; E156-L160 WeakPolarHBondContact O-CA 3.42Å; E156-L160 WeakPolarHBondContact O-CB 3.41Å; E156-L160 PolarHBondContact O-N 3.31Å; E156-K161 PolarHBondContact O-N 3.08Å
157H98.7Very high98.4Very high24 Ų2439.8 Ų39.811%0.11120%0.201CC..Iπ-helixtrans-62-35.8171.9-66.5128.7000111Q135 M137 P152 R153 Q154 V155 K161 L162Q135-H157 PolarHBondContact O-CE1 3.43Å; M137-H157 HydrophobicContact CB-CB 4.45Å; M137-H157 HydrophobicContact CE-CB 3.93Å; M137-H157 HydrophobicContact SD-CB 3.9Å; P152-H157 HydrophobicContact CB-CB 3.62Å; R153-H157 PolarHBondContact N-ND1 2.85Å; R153-H157 VanDerWaalsContact N-ND1 3.18Å; Q154-H157 WeakPolarHBondContact CB-ND1 3.33Å; Q154-H157 PolarHBondContact N-ND1 3.43Å; Q154-H157 VanDerWaalsContact O-CB 3.31Å; Q154-H157 WeakPolarHBondContact O-CB 3.31Å; Q154-H157 PolarHBondContact O-N 3.19Å; Q154-H157 VanDerWaalsContact O-N 3.07Å; V155-H157 PolarHBondContact O-N 2.73Å; H157-K161 WeakPolarHBondContact O-CB 3.29Å; H157-L162 VanDerWaalsContact O-CG 3.27Å; H157-L162 WeakPolarHBondContact O-CG 3.26Å; H157-L162 PolarHBondContact O-N 3.27Å
158V98.8Very high98.4Very high0 Ų039.1 Ų39.10%020%0.199CC..Iπ-helixtrans-83.5-53.9176.5-1780000110.7P152 V155 E156 K163 M200 L203 Y204 L209P152-V158 HydrophobicContact CB-CG2 3.8Å; P152-V158 HydrophobicContact CG-CG2 3.91Å; V155-V158 PolarHBondContact O-N 2.89Å; E156-V158 PolarHBondContact O-N 2.88Å; V158-K163 WeakPolarHBondContact O-CB 3.26Å; V158-K163 PolarHBondContact O-N 3.35Å; V158-K163 VanDerWaalsContact O-N 3.12Å; V158-M200 HydrophobicContact CG2-CE 4.33Å; V158-L203 HydrophobicContact CB-CD2 3.94Å; V158-L203 HydrophobicContact CB-CG 4.18Å; V158-L203 HydrophobicContact CG1-CD2 4.34Å; V158-L203 HydrophobicContact CG1-CG 4.08Å; V158-L203 HydrophobicContact CG2-CD2 3.7Å; V158-L203 HydrophobicContact CG2-CG 4.34Å; V158-Y204 HydrophobicContact CB-CE1 4.33Å; V158-Y204 HydrophobicContact CG1-CD1 3.59Å; V158-Y204 HydrophobicContact CG1-CE1 3.54Å; V158-Y204 HydrophobicContact CG2-CE1 3.8Å; V158-L209 HydrophobicContact CG1-CD1 3.85Å
159T98.4Very high98.4Very high40 Ų4041.6 Ų41.625%0.24521%0.214CC..Iπ-helixtrans-71.8-33.7-168.956.90000113.5V155 E156 E164 L203V155-T159 HydrophobicContact CG1-CG2 3.75Å; V155-T159 PolarHBondContact O-N 3.48Å; V155-T159 PolarHBondContact O-OG1 2.76Å; E156-T159 WeakPolarHBondContact CA-OG1 3.21Å; T159-E164 WeakPolarHBondContact O-CG 3.41Å; T159-L203 HydrophobicContact CG2-CD1 4.19Å
160L98.3Very high98.4Very high93 Ų9341.6 Ų41.649%0.48721%0.214SC..Iπ-helixtrans-106.7-55.3-179.2-57.6179.1000110.9E156 E164 E165E156-L160 HydrophobicContact CB-CD1 4.14Å; E156-L160 HydrophobicContact CB-CG 4.46Å; E156-L160 HydrophobicContact CG-CD1 4.09Å; E156-L160 WeakPolarHBondContact O-CA 3.42Å; E156-L160 WeakPolarHBondContact O-CB 3.41Å; E156-L160 PolarHBondContact O-N 3.31Å; L160-E164 WeakPolarHBondContact O-CB 3.44Å; L160-E164 PolarHBondContact O-N 3.1Å; L160-E165 PolarHBondContact O-N 2.69Å
161K98.6Very high98.4Very high62 Ų6241.6 Ų41.627%0.2721%0.214SC..Iπ-helixtrans-69.2-58.8-171.5-170.16969.3-157.30112.1M137 F139 E156 H157 E165 L166M137-K161 HydrophobicContact CE-CB 3.87Å; M137-K161 HydrophobicContact CE-CG 3.51Å; F139-K161 HydrophobicContact CE1-CD 4.1Å; F139-K161 HydrophobicContact CE1-CG 3.92Å; F139-K161 HydrophobicContact CZ-CD 4.02Å; F139-K161 HydrophobicContact CZ-CG 4.2Å; E156-K161 PolarHBondContact O-N 3.08Å; H157-K161 WeakPolarHBondContact O-CB 3.29Å; K161-E165 HydrophobicContact CD-CB 4.42Å; K161-E165 VanDerWaalsContact CD-OE2 3.29Å; K161-E165 WeakPolarHBondContact CD-OE2 3.48Å; K161-E165 WeakPolarHBondContact CE-OE2 3.47Å; K161-E165 IonicContact NZ-OE1 2.73Å; K161-E165 PolarHBondContact NZ-OE1 3.04Å; K161-E165 IonicContact NZ-OE2 3.24Å; K161-E165 PolarHBondContact NZ-OE2 3.27Å; K161-E165 WeakPolarHBondContact O-CB 3.31Å; K161-L166 HydrophobicContact CG-CD1 4.49Å; K161-L166 WeakPolarHBondContact O-CB 3.41Å; K161-L166 VanDerWaalsContact O-CG 3.29Å; K161-L166 WeakPolarHBondContact O-CG 3.26Å; K161-L166 PolarHBondContact O-N 3.46Å
162L98.8Very high98.4Very high0 Ų041.6 Ų41.60%021%0.214CC..Iπ-helixtrans-66.5-51.7-178.8-66.2-174.4000111M137 H157 L166 G167 V168 V171 Y204 Y246M137-L162 HydrophobicContact CE-CD2 3.69Å; M137-L162 HydrophobicContact CE-CG 4.02Å; M137-L162 HydrophobicContact SD-CD2 4.18Å; M137-L162 HydrophobicContact SD-CG 4.43Å; H157-L162 VanDerWaalsContact O-CG 3.27Å; H157-L162 WeakPolarHBondContact O-CG 3.26Å; H157-L162 PolarHBondContact O-N 3.27Å; L162-L166 HydrophobicContact CD2-CD1 4.07Å; L162-G167 PolarHBondContact O-N 3.11Å; L162-V168 HydrophobicContact CB-CB 4.17Å; L162-V168 HydrophobicContact CB-CG2 4.33Å; L162-V168 HydrophobicContact CD2-CG2 4.27Å; L162-V168 VanDerWaalsContact O-CB 3.23Å; L162-V168 WeakPolarHBondContact O-CB 3.37Å; L162-V168 WeakPolarHBondContact O-CG2 3.45Å; L162-V168 PolarHBondContact O-N 2.77Å; L162-V171 HydrophobicContact CD1-CG2 4.28Å; L162-Y204 HydrophobicContact CD1-CE1 4.28Å; L162-Y246 HydrophobicContact CD1-CD1 3.98Å; L162-Y246 HydrophobicContact CD1-CE1 4.38Å; L162-Y246 HydrophobicContact CD1-CG 4.33Å; L162-Y246 HydrophobicContact CD2-CD1 3.86Å; L162-Y246 HydrophobicContact CD2-CD2 3.5Å; L162-Y246 VanDerWaalsContact CD2-CD2 3.5Å; L162-Y246 HydrophobicContact CD2-CE1 4.05Å; L162-Y246 HydrophobicContact CD2-CE2 3.73Å; L162-Y246 HydrophobicContact CD2-CG 3.6Å
163K98.4Very high98.5Very high77 Ų7741.6 Ų41.634%0.33521%0.214SC..Iπ-helixtrans-71.8-61-172.6-176.9-178175.4172.90113.3V158 G167 C207V158-K163 WeakPolarHBondContact O-CB 3.26Å; V158-K163 PolarHBondContact O-N 3.35Å; V158-K163 VanDerWaalsContact O-N 3.12Å; K163-G167 WeakPolarHBondContact O-CA 3.47Å; K163-G167 PolarHBondContact O-N 3.33Å; K163-C207 HydrophobicContact CD-CB 4.18Å; K163-C207 VanDerWaalsContact CE-O 3.31Å; K163-C207 WeakPolarHBondContact CE-O 3.26Å; K163-C207 PolarHBondContact NZ-O 3.46Å; K163-C207 VanDerWaalsContact NZ-O 3.07Å
164E98.2Very high98.5Very high128 Ų12841.7 Ų41.760%0.59821%0.214SC*.Iπ-helixtrans-84.4-46.9-168.8-55.6-60.5147.500111.9T159 L160T159-E164 WeakPolarHBondContact O-CG 3.41Å; L160-E164 WeakPolarHBondContact O-CB 3.44Å; L160-E164 PolarHBondContact O-N 3.1Å
165E98.3Very high98.5Very high121 Ų12138.1 Ų38.157%0.56520%0.198SC*.Iπ-helixtrans-77.9-46.3-175.5-66.4-176.9-139.500113.2L160 K161L160-E165 PolarHBondContact O-N 2.69Å; K161-E165 HydrophobicContact CD-CB 4.42Å; K161-E165 VanDerWaalsContact CD-OE2 3.29Å; K161-E165 WeakPolarHBondContact CD-OE2 3.48Å; K161-E165 WeakPolarHBondContact CE-OE2 3.47Å; K161-E165 IonicContact NZ-OE1 2.73Å; K161-E165 PolarHBondContact NZ-OE1 3.04Å; K161-E165 IonicContact NZ-OE2 3.24Å; K161-E165 PolarHBondContact NZ-OE2 3.27Å; K161-E165 WeakPolarHBondContact O-CB 3.31Å
166L98.3Very high98.6Very high36 Ų3638.7 Ų38.719%0.18820%0.201CC..SBendtrans-90.6-11.6-176.7-60.7-177.4000113.5F139 F147 K161 L162 V168F139-L166 HydrophobicContact CD2-CD1 3.88Å; F139-L166 HydrophobicContact CE1-CD1 4.2Å; F139-L166 HydrophobicContact CE2-CD1 3.51Å; F139-L166 HydrophobicContact CE2-CD2 3.6Å; F139-L166 HydrophobicContact CE2-CG 4.15Å; F139-L166 HydrophobicContact CG-CD1 4.38Å; F139-L166 HydrophobicContact CZ-CD1 3.69Å; F139-L166 HydrophobicContact CZ-CD2 3.94Å; F139-L166 HydrophobicContact CZ-CG 4.25Å; F147-L166 HydrophobicContact CD1-CD1 4.36Å; F147-L166 HydrophobicContact CE1-CD1 4.39Å; F147-L166 HydrophobicContact CE1-CD2 3.92Å; F147-L166 HydrophobicContact CE2-CB 4.32Å; F147-L166 HydrophobicContact CZ-CB 4.2Å; F147-L166 HydrophobicContact CZ-CD2 4.11Å; K161-L166 HydrophobicContact CG-CD1 4.49Å; K161-L166 WeakPolarHBondContact O-CB 3.41Å; K161-L166 VanDerWaalsContact O-CG 3.29Å; K161-L166 WeakPolarHBondContact O-CG 3.26Å; K161-L166 PolarHBondContact O-N 3.46Å; L162-L166 HydrophobicContact CD2-CD1 4.07Å; L166-V168 HydrophobicContact CB-CG2 3.9Å; L166-V168 PolarHBondContact O-N 3.21Å
167G98.5Very high98.6Very high36 Ų3639.5 Ų39.537%0.37121%0.205SC..  trans60.132.6-176.700000112.7L162 K163 T244L162-G167 PolarHBondContact O-N 3.11Å; K163-G167 WeakPolarHBondContact O-CA 3.47Å; K163-G167 PolarHBondContact O-N 3.33Å; G167-T244 WeakPolarHBondContact O-CB 3.42Å
168V98.8Very high98.5Very high3 Ų340.2 Ų40.22%0.01822%0.218CC..  trans-66.9139.4175.41730000108.5F147 L162 L166 A170 V171 L209 T244F147-V168 HydrophobicContact CD2-CG2 4.28Å; L162-V168 HydrophobicContact CB-CB 4.17Å; L162-V168 HydrophobicContact CB-CG2 4.33Å; L162-V168 HydrophobicContact CD2-CG2 4.27Å; L162-V168 VanDerWaalsContact O-CB 3.23Å; L162-V168 WeakPolarHBondContact O-CB 3.37Å; L162-V168 WeakPolarHBondContact O-CG2 3.45Å; L162-V168 PolarHBondContact O-N 2.77Å; L166-V168 HydrophobicContact CB-CG2 3.9Å; L166-V168 PolarHBondContact O-N 3.21Å; V168-A170 WeakPolarHBondContact CG1-O 3.39Å; V168-V171 HydrophobicContact CG1-CG2 3.94Å; V168-L209 WeakPolarHBondContact O-CD2 3.18Å; V168-T244 HydrophobicContact CG2-CG2 4.49Å
169T98.9Very high98.5Very high53 Ų5341.3 Ų41.333%0.32522%0.224SC..  trans-125.9-15.3-179.958.90000112.4A210 H243 T244T169-A210 PolarHBondContact O-N 2.71Å; T169-H243 WeakPolarHBondContact OG1-CA 3.47Å; T169-H243 WeakPolarHBondContact OG1-CB 3.44Å; T169-H243 PolarHBondContact OG1-ND1 3.16Å; T169-H243 VanDerWaalsContact OG1-ND1 3.12Å; T169-T244 PolarHBondContact N-O 3.38Å; T169-T244 PolarHBondContact OG1-N 3.38Å; T169-T244 PolarHBondContact OG1-O 2.95Å
170A98.9Very high98.4Very high0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-141.3146.9173.200000111.1V168 A210 L238 H243 T244 V245 Y246V168-A170 WeakPolarHBondContact CG1-O 3.39Å; A170-A210 CarbonylContact C-O 3.6Å; A170-A210 VanDerWaalsContact CA-O 3.25Å; A170-A210 WeakPolarHBondContact CA-O 3.28Å; A170-A210 HydrophobicContact CB-CB 3.92Å; A170-L238 HydrophobicContact CB-CD1 4.15Å; A170-L238 HydrophobicContact CB-CD2 3.96Å; A170-H243 HydrophobicContact CB-CB 3.79Å; A170-T244 PolarHBondContact N-O 2.94Å; A170-T244 VanDerWaalsContact N-O 3.13Å; A170-V245 HydrophobicContact CB-CG1 4.49Å; A170-V245 HydrophobicContact CB-CG2 4.35Å; A170-V245 CarbonylContact O-C 3.44Å; A170-V245 VanDerWaalsContact O-CA 3.29Å; A170-V245 WeakPolarHBondContact O-CA 3.22Å; A170-Y246 PolarHBondContact O-N 3.43Å
171V98.9Very high98.3Very high0 Ų037.8 Ų37.80%021%0.207CC..EExtended strand (participates in β ladder)trans-126.9130.8179.2179.30000109.7L162 V168 Y204 A210 Y211 V212 Y246L162-V171 HydrophobicContact CD1-CG2 4.28Å; V168-V171 HydrophobicContact CG1-CG2 3.94Å; V171-Y204 HydrophobicContact CB-CE1 4.25Å; V171-Y204 HydrophobicContact CG1-CE1 4.28Å; V171-Y204 HydrophobicContact CG1-CE2 4.35Å; V171-Y204 HydrophobicContact CG2-CD1 4.13Å; V171-Y204 HydrophobicContact CG2-CE1 3.74Å; V171-A210 PolarHBondContact N-O 2.73Å; V171-Y211 HydrophobicContact CB-CD2 4.03Å; V171-Y211 HydrophobicContact CG1-CD2 4.1Å; V171-Y211 HydrophobicContact CG1-CE2 4.19Å; V171-V212 PolarHBondContact O-N 3.29Å; V171-Y246 WeakPolarHBondContact CA-O 3.25Å; V171-Y246 HydrophobicContact CG1-CD1 4.42Å
172M98.9Very high98.2Very high0 Ų040.9 Ų40.90%023%0.226CC..EExtended strand (participates in β ladder)trans-110.8118.2170.3-67.3-167.873.300109.7F174 V212 I214 L234 L235 L238 V245 Y246 V247 H248M172-F174 HydrophobicContact CB-CE2 4.29Å; M172-F174 HydrophobicContact CE-CZ 4.07Å; M172-V212 WeakPolarHBondContact CA-O 3.42Å; M172-V212 HydrophobicContact CE-CG1 4.16Å; M172-V212 HydrophobicContact CG-CB 4.2Å; M172-I214 HydrophobicContact CE-CD1 3.77Å; M172-L234 HydrophobicContact CE-CB 4Å; M172-L235 HydrophobicContact CE-CB 4.35Å; M172-L235 VanDerWaalsContact SD-CA 3.6Å; M172-L235 HydrophobicContact SD-CB 3.57Å; M172-L235 VanDerWaalsContact SD-CB 3.57Å; M172-L235 HydrophobicContact SD-CD1 3.8Å; M172-L235 HydrophobicContact SD-CG 4.2Å; M172-L238 HydrophobicContact CG-CD1 3.76Å; M172-L238 HydrophobicContact SD-CD1 3.93Å; M172-V245 HydrophobicContact CG-CG1 4.03Å; M172-Y246 PolarHBondContact N-O 2.99Å; M172-V247 HydrophobicContact CB-CG1 4.33Å; M172-H248 PolarHBondContact O-N 3.45Å
173N98.9Very high98.1Very high0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-115.3124.6-177.3-176.28.9000111.5Q175 Y211 V212 I214 H248N173-Q175 PolarHBondContact ND2-OE1 3.4Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.44Å; N173-Q175 WeakPolarHBondContact OD1-CG 3.27Å; N173-Q175 PolarHBondContact OD1-N 3.45Å; N173-Q175 PolarHBondContact OD1-OE1 3.18Å; N173-Y211 HydrophobicContact CB-CE2 3.61Å; N173-Y211 WeakPolarHBondContact CB-OH 3.27Å; N173-Y211 PolarHBondContact ND2-OH 3.17Å; N173-V212 PolarHBondContact N-O 2.88Å; N173-I214 PolarHBondContact O-N 3.49Å; N173-H248 WeakPolarHBondContact CB-NE2 3.49Å; N173-H248 PolarHBondContact OD1-CE1 3.46Å
174F98.8Very high98.1Very high4 Ų437.7 Ų37.72%0.01821%0.213CC..  trans-102.12.1177.3-62.2-81.9000114.5M172 I214 T216 V227 A231 V247 H248 C249 R255 A259M172-F174 HydrophobicContact CB-CE2 4.29Å; M172-F174 HydrophobicContact CE-CZ 4.07Å; F174-I214 WeakPolarHBondContact CA-O 3.45Å; F174-I214 HydrophobicContact CD1-CB 4.13Å; F174-I214 HydrophobicContact CE1-CB 4.16Å; F174-I214 HydrophobicContact CE1-CD1 4.08Å; F174-I214 HydrophobicContact CE1-CG2 4.5Å; F174-T216 PolarHBondContact O-N 2.72Å; F174-T216 VanDerWaalsContact O-N 3.12Å; F174-V227 HydrophobicContact CE1-CG1 4.4Å; F174-A231 HydrophobicContact CE1-CB 3.65Å; F174-A231 HydrophobicContact CZ-CB 3.86Å; F174-V247 HydrophobicContact CD2-CG1 4.46Å; F174-V247 HydrophobicContact CE2-CG1 3.66Å; F174-H248 WeakPolarHBondContact CD2-O 3.5Å; F174-H248 PolarHBondContact N-O 2.88Å; F174-C249 HydrophobicContact CB-CB 4.29Å; F174-R255 HydrophobicContact CB-CB 3.8Å; F174-R255 HydrophobicContact CG-CB 4.34Å; F174-R255 PolarHBondContact O-NH1 3.49Å; F174-A259 HydrophobicContact CE1-CB 4.32Å; F174-A259 HydrophobicContact CE2-CB 3.81Å; F174-A259 HydrophobicContact CZ-CB 3.48Å; F174-A259 VanDerWaalsContact CZ-CB 3.48Å
175Q98.7Very high97.9Very high0 Ų033.5 Ų33.50%020%0.198CC..  trans-60.8141.3175.9-69.3-177-69.900110.9C151 N173 D179 M180 W213 P215 H248 N250C151-Q175 PolarHBondContact SG-NE2 3.46Å; N173-Q175 PolarHBondContact ND2-OE1 3.4Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.44Å; N173-Q175 WeakPolarHBondContact OD1-CG 3.27Å; N173-Q175 PolarHBondContact OD1-N 3.45Å; N173-Q175 PolarHBondContact OD1-OE1 3.18Å; Q175-D179 HydrophobicContact CB-CB 3.67Å; Q175-D179 HydrophobicContact CG-CB 4.01Å; Q175-M180 HydrophobicContact CB-CG 3.86Å; Q175-W213 PolarHBondContact O-NE1 3.31Å; Q175-P215 WeakPolarHBondContact O-CA 3.33Å; Q175-H248 PolarHBondContact OE1-CE1 3.19Å; Q175-N250 WeakPolarHBondContact CG-OD1 3.44Å; Q175-N250 PolarHBondContact NE2-OD1 2.93Å
176T98.4Very high97.8Very high41 Ų4129.5 Ų29.525%0.25219%0.189SC..  trans-71.7174.2163.463.20000110.4D179 M180T176-D179 WeakPolarHBondContact CB-OD2 3.34Å; T176-D179 PolarHBondContact N-OD2 3.05Å; T176-D179 WeakPolarHBondContact O-CB 3.18Å; T176-D179 PolarHBondContact O-N 3.03Å; T176-D179 WeakPolarHBondContact OG1-CB 3.45Å; T176-D179 PolarHBondContact OG1-N 3.38Å; T176-D179 PolarHBondContact OG1-OD2 2.79Å; T176-M180 PolarHBondContact O-N 3.43Å
177E98.1Very high97.7Very high112 Ų11227.9 Ų27.952%0.52318%0.18SC..Hα-helixtrans-59.6-50.1171.8179.6173.7-173.900111.8D179 M180 V181 P197E177-D179 VanDerWaalsContact C-N 3.26Å; E177-D179 PolarHBondContact O-N 3.48Å; E177-M180 PolarHBondContact O-N 2.8Å; E177-V181 WeakPolarHBondContact O-CG2 3.46Å; E177-V181 PolarHBondContact O-N 2.85Å; E177-P197 HydrophobicContact CB-CG 4.21Å; E177-P197 HydrophobicContact CG-CG 3.88Å
178G97.8Very high97.5Very high38 Ų3829.8 Ų29.839%0.39218%0.176SC..Hα-helixtrans-59.8-36.1178.500000113V181 N182G178-V181 PolarHBondContact O-N 3.09Å; G178-N182 WeakPolarHBondContact O-CB 3.14Å; G178-N182 PolarHBondContact O-N 3.06Å; G178-N182 PolarHBondContact O-ND2 3.46Å; G178-N182 VanDerWaalsContact O-ND2 3.08Å
179D98.1Very high96.7Very high23 Ų2337 Ų3712%0.12320%0.203CC..Hα-helixtrans-59.2-46.7172.7-75.2-39.9000112.5Q175 T176 E177 N182 N183 N250 R255Q175-D179 HydrophobicContact CB-CB 3.67Å; Q175-D179 HydrophobicContact CG-CB 4.01Å; T176-D179 WeakPolarHBondContact CB-OD2 3.34Å; T176-D179 PolarHBondContact N-OD2 3.05Å; T176-D179 WeakPolarHBondContact O-CB 3.18Å; T176-D179 PolarHBondContact O-N 3.03Å; T176-D179 WeakPolarHBondContact OG1-CB 3.45Å; T176-D179 PolarHBondContact OG1-N 3.38Å; T176-D179 PolarHBondContact OG1-OD2 2.79Å; E177-D179 VanDerWaalsContact C-N 3.26Å; E177-D179 PolarHBondContact O-N 3.48Å; D179-N182 PolarHBondContact O-N 2.91Å; D179-N183 VanDerWaalsContact O-CB 3.27Å; D179-N183 WeakPolarHBondContact O-CB 3.11Å; D179-N183 PolarHBondContact O-N 3.35Å; D179-N183 PolarHBondContact O-ND2 3.11Å; D179-N183 VanDerWaalsContact O-ND2 3.1Å; D179-N250 VanDerWaalsContact CB-OD1 3.29Å; D179-N250 WeakPolarHBondContact CB-OD1 3.4Å; D179-N250 VanDerWaalsContact CG-ND2 3.34Å; D179-N250 PolarHBondContact OD1-ND2 2.75Å; D179-R255 IonicContact OD1-NH2 2.77Å; D179-R255 IonicContact OD2-CZ 3.29Å; D179-R255 IonicContact OD2-NH1 3.63Å; D179-R255 PolarHBondContact OD2-NH1 3.09Å; D179-R255 IonicContact OD2-NH2 2.69Å; D179-R255 PolarHBondContact OD2-NH2 3.15Å
180M96.7Very high96.1Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-66.2-42.1179.9-79.5-174.8-77.500111.8Q175 T176 E177 N182 N183 S184 M195 P197 M200 W213Q175-M180 HydrophobicContact CB-CG 3.86Å; T176-M180 PolarHBondContact O-N 3.43Å; E177-M180 PolarHBondContact O-N 2.8Å; M180-N182 VanDerWaalsContact C-N 3.29Å; M180-N182 PolarHBondContact O-N 2.96Å; M180-N183 PolarHBondContact O-N 2.82Å; M180-S184 WeakPolarHBondContact O-CA 3.48Å; M180-S184 WeakPolarHBondContact O-CB 3.33Å; M180-S184 PolarHBondContact O-N 3.44Å; M180-M195 HydrophobicContact CB-CE 4.38Å; M180-P197 HydrophobicContact CE-CB 3.85Å; M180-P197 HydrophobicContact CE-CG 3.89Å; M180-M200 HydrophobicContact SD-CB 4.46Å; M180-M200 HydrophobicContact SD-CG 4.05Å; M180-W213 HydrophobicContact CE-CD2 4.15Å; M180-W213 HydrophobicContact CE-CH2 4.12Å; M180-W213 HydrophobicContact CE-CZ2 3.26Å; M180-W213 VanDerWaalsContact CE-NE1 3.33Å
181V95.8Very high95.3Very high60 Ų6043 Ų4336%0.36424%0.24SC..Hα-helixtrans-57.9-45.3174.5174.80000110.5E177 G178 M195E177-V181 WeakPolarHBondContact O-CG2 3.46Å; E177-V181 PolarHBondContact O-N 2.85Å; G178-V181 PolarHBondContact O-N 3.09Å; V181-M195 WeakPolarHBondContact CG2-O 3.28Å
182N96Very high94.7Very high127 Ų12746.4 Ų46.468%0.67927%0.274SS*.Hα-helixtrans-74-32.1-176.4-71.1-26.2000113.9G178 D179 M180G178-N182 WeakPolarHBondContact O-CB 3.14Å; G178-N182 PolarHBondContact O-N 3.06Å; G178-N182 PolarHBondContact O-ND2 3.46Å; G178-N182 VanDerWaalsContact O-ND2 3.08Å; D179-N182 PolarHBondContact O-N 2.91Å; M180-N182 VanDerWaalsContact C-N 3.29Å; M180-N182 PolarHBondContact O-N 2.96Å
183N97.8Very high94.2Very high9 Ų951.9 Ų51.95%0.04830%0.3CS..Hα-helixtrans-113.2-24.4-168.2-76.7-83.8000115.3Y128 C151 R153 D179 M180Y128-N183 WeakPolarHBondContact CE2-OD1 3.49Å; Y128-N183 PolarHBondContact OH-ND2 3.34Å; Y128-N183 PolarHBondContact OH-OD1 3.32Å; C151-N183 VanDerWaalsContact SG-CB 3.54Å; R153-N183 WeakPolarHBondContact CG-O 3.35Å; R153-N183 PolarHBondContact NH2-OD1 3.23Å; D179-N183 VanDerWaalsContact O-CB 3.27Å; D179-N183 WeakPolarHBondContact O-CB 3.11Å; D179-N183 PolarHBondContact O-N 3.35Å; D179-N183 PolarHBondContact O-ND2 3.11Å; D179-N183 VanDerWaalsContact O-ND2 3.1Å; M180-N183 PolarHBondContact O-N 2.82Å
184S97.3Very high93.8Very high0 Ų059.7 Ų59.70%034%0.336CS..  trans-119.815.3-167.5-49.80000111.9P152 M180 G186 C187 M195P152-S184 PolarHBondContact O-OG 3.45Å; M180-S184 WeakPolarHBondContact O-CA 3.48Å; M180-S184 WeakPolarHBondContact O-CB 3.33Å; M180-S184 PolarHBondContact O-N 3.44Å; S184-G186 PolarHBondContact O-N 3.48Å; S184-C187 WeakPolarHBondContact O-CB 3.23Å; S184-C187 PolarHBondContact O-N 3.18Å; S184-M195 VanDerWaalsContact O-CE 3.29Å; S184-M195 WeakPolarHBondContact O-CE 3.5Å
185S93.9Very high93.6Very high41 Ų4160.3 Ų60.329%0.28734%0.339SS..G310 helixtrans-63.1-24.3-179.460.70000113.8C187 R188S185-C187 PolarHBondContact O-N 3.3Å; S185-R188 WeakPolarHBondContact O-CG 3.3Å; S185-R188 PolarHBondContact O-N 3.34Å; S185-R188 PolarHBondContact O-NE 2.8Å
186G95.7Very high93.4Very high37 Ų3762.1 Ų62.138%0.38135%0.351SS..G310 helixtrans-74.1-4.6171.600000114.3R153 Q154 V155 S184 R188R153-G186 CarbonylContact O-C 3.55Å; R153-G186 WeakPolarHBondContact O-CA 3.45Å; Q154-G186 WeakPolarHBondContact CA-O 3.43Å; V155-G186 PolarHBondContact N-O 3.16Å; S184-G186 PolarHBondContact O-N 3.48Å; G186-R188 VanDerWaalsContact C-N 3.3Å
187C96.5Very high93.3Very high1 Ų160.4 Ų60.41%0.00734%0.34CS..G310 helixtrans-86.61.8172.8-61.10000113.2Q154 S184 S185 M200 L203Q154-C187 PolarHBondContact N-SG 3.09Å; Q154-C187 VanDerWaalsContact N-SG 3.42Å; S184-C187 WeakPolarHBondContact O-CB 3.23Å; S184-C187 PolarHBondContact O-N 3.18Å; S185-C187 PolarHBondContact O-N 3.3Å; C187-M200 HydrophobicContact CB-CE 4.32Å; C187-M200 HydrophobicContact CB-SD 3.52Å; C187-M200 VanDerWaalsContact CB-SD 3.52Å; C187-L203 HydrophobicContact CB-CD2 3.96Å
188R94Very high93.2Very high76 Ų7659.4 Ų59.429%0.28734%0.336SS..  trans-67.1141.2173.2-72.7178.7-721763.4110.5S185 G186 P191 Q193 M195 T199S185-R188 WeakPolarHBondContact O-CG 3.3Å; S185-R188 PolarHBondContact O-N 3.34Å; S185-R188 PolarHBondContact O-NE 2.8Å; G186-R188 VanDerWaalsContact C-N 3.3Å; R188-P191 PolarHBondContact NH1-O 3.5Å; R188-Q193 WeakPolarHBondContact CD-O 3.09Å; R188-Q193 PolarHBondContact NH1-O 3.36Å; R188-M195 HydrophobicContact CG-CB 4.38Å; R188-M195 HydrophobicContact CG-SD 3.78Å; R188-T199 HydrophobicContact CG-CG2 3.96Å
189R83.1Confident93.1Very high154 Ų15458.7 Ų58.758%0.58132%0.324SS*.SBendtrans-73.6-42.4170.4-72-176.4174.2168.91.7112.3D206R189-D206 IonicContact CZ-OD2 3.86Å; R189-D206 IonicContact NH1-OD2 2.72Å; R189-D206 PolarHBondContact NH1-OD2 3.22Å; R189-D206 VanDerWaalsContact NH2-CG 3.3Å; R189-D206 IonicContact NH2-OD2 3.26Å; R189-D206 PolarHBondContact NH2-OD2 3.01Å
190D86.6Confident93.1Very high75 Ų7557.6 Ų57.640%0.40132%0.318SS..SBendtrans-113.1115178.1-177.8-5.1000108.5G192 Q193D190-G192 PolarHBondContact O-N 3.3Å; D190-G192 VanDerWaalsContact O-N 3.14Å; D190-G192 PolarHBondContact OD1-N 2.9Å; D190-Q193 HydrophobicContact CB-CB 4.48Å; D190-Q193 HydrophobicContact CB-CG 3.98Å; D190-Q193 PolarHBondContact O-N 2.98Å; D190-Q193 VanDerWaalsContact O-N 3.1Å
191P81.8Confident93.1Very high106 Ų10660.4 Ų60.469%0.68833%0.331SS*.THydrogen-bonded Turntrans-57.6-22.9176.3-24.734.6000114.1R188 Q193R188-P191 PolarHBondContact NH1-O 3.5Å; P191-Q193 VanDerWaalsContact C-N 3.34Å
192G85.3Confident93.2Very high71 Ų7161.9 Ų61.973%0.73233%0.334SS*.THydrogen-bonded Turntrans-78.1-13178.200000114.7D190D190-G192 PolarHBondContact O-N 3.3Å; D190-G192 VanDerWaalsContact O-N 3.14Å; D190-G192 PolarHBondContact OD1-N 2.9Å
193Q88.5Confident93.3Very high114 Ų11456 Ų5653%0.53330%0.303SS..SBendtrans-86.3149.8176.8-69.6-177.5-2.900111.7R188 D190 P191R188-Q193 WeakPolarHBondContact CD-O 3.09Å; R188-Q193 PolarHBondContact NH1-O 3.36Å; D190-Q193 HydrophobicContact CB-CB 4.48Å; D190-Q193 HydrophobicContact CB-CG 3.98Å; D190-Q193 PolarHBondContact O-N 2.98Å; D190-Q193 VanDerWaalsContact O-N 3.1Å; P191-Q193 VanDerWaalsContact C-N 3.34Å
194E91.7Very high93.3Very high164 Ų16455.6 Ų55.677%0.76630%0.301SS*.PPolyproline II helixtrans-66.5142.9171.5-67.1-173.2166.500110.7T196E194-T196 HydrophobicContact CB-CG2 4.49Å; E194-T196 PolarHBondContact O-N 3.31Å
195M93.9Very high93.4Very high17 Ų1763.5 Ų63.58%0.08433%0.331CS..PPolyproline II helixtrans-78.7121173.4-17962.8-172.900108.7M180 V181 S184 R188 T199 M200M180-M195 HydrophobicContact CB-CE 4.38Å; V181-M195 WeakPolarHBondContact CG2-O 3.28Å; S184-M195 VanDerWaalsContact O-CE 3.29Å; S184-M195 WeakPolarHBondContact O-CE 3.5Å; R188-M195 HydrophobicContact CG-CB 4.38Å; R188-M195 HydrophobicContact CG-SD 3.78Å; M195-T199 HydrophobicContact CE-CG2 4.46Å; M195-T199 HydrophobicContact SD-CG2 3.79Å; M195-M200 HydrophobicContact CE-CG 3.66Å; M195-M200 HydrophobicContact CE-SD 3.81Å
196T95.3Very high93.6Very high39 Ų3965.9 Ų65.924%0.23934%0.34CS..  trans-133.7165.6176.278.10000110.6E194 E198 T199E194-T196 HydrophobicContact CB-CG2 4.49Å; E194-T196 PolarHBondContact O-N 3.31Å; T196-E198 WeakPolarHBondContact CB-OE2 3.5Å; T196-E198 PolarHBondContact O-N 3.26Å; T196-E198 PolarHBondContact OG1-N 2.67Å; T196-E198 PolarHBondContact OG1-OE2 2.98Å; T196-T199 PolarHBondContact N-OG1 3.29Å; T196-T199 WeakPolarHBondContact O-CB 3.28Å; T196-T199 PolarHBondContact O-N 2.91Å; T196-T199 PolarHBondContact O-OG1 2.68Å
197P95.6Very high93.7Very high4 Ų464.7 Ų64.73%0.02633%0.326CS..Hα-helixtrans-53.4-36.1172.6-27.137.1000113.4E177 M180 T199 M200 M201 W213E177-P197 HydrophobicContact CB-CG 4.21Å; E177-P197 HydrophobicContact CG-CG 3.88Å; M180-P197 HydrophobicContact CE-CB 3.85Å; M180-P197 HydrophobicContact CE-CG 3.89Å; P197-T199 PolarHBondContact O-N 2.91Å; P197-M200 PolarHBondContact O-N 3.15Å; P197-M200 VanDerWaalsContact O-N 3.14Å; P197-M201 HydrophobicContact CB-CE 4.32Å; P197-M201 WeakPolarHBondContact O-CG 3.42Å; P197-M201 PolarHBondContact O-N 2.82Å; P197-M201 VanDerWaalsContact O-N 3.09Å; P197-W213 HydrophobicContact CB-CE3 4.16Å; P197-W213 HydrophobicContact CB-CH2 3.52Å; P197-W213 HydrophobicContact CB-CZ2 4.09Å; P197-W213 HydrophobicContact CB-CZ3 3.55Å; P197-W213 HydrophobicContact CG-CH2 3.42Å; P197-W213 VanDerWaalsContact CG-CH2 3.42Å; P197-W213 HydrophobicContact CG-CZ2 3.98Å; P197-W213 HydrophobicContact CG-CZ3 3.97Å
198E95.6Very high93.7Very high92 Ų9267.8 Ų67.843%0.4336%0.358SS..Hα-helixtrans-61.7-30.4177.8-64.567.6-146.700112T196 M200 M201 H202T196-E198 WeakPolarHBondContact CB-OE2 3.5Å; T196-E198 PolarHBondContact O-N 3.26Å; T196-E198 PolarHBondContact OG1-N 2.67Å; T196-E198 PolarHBondContact OG1-OE2 2.98Å; E198-M200 VanDerWaalsContact C-N 3.32Å; E198-M200 PolarHBondContact O-N 3.38Å; E198-M201 PolarHBondContact O-N 2.82Å; E198-H202 WeakPolarHBondContact O-CB 3.25Å; E198-H202 VanDerWaalsContact O-CG 3.27Å; E198-H202 PolarHBondContact O-N 3.18Å; E198-H202 PolarHBondContact O-ND1 2.91Å; E198-H202 VanDerWaalsContact O-ND1 3.11Å
199T96.4Very high94Very high23 Ų2364.8 Ų64.814%0.14135%0.347CS..Hα-helixtrans-56.9-48.3174.9-57.80000110.5R188 M195 T196 P197 L203R188-T199 HydrophobicContact CG-CG2 3.96Å; M195-T199 HydrophobicContact CE-CG2 4.46Å; M195-T199 HydrophobicContact SD-CG2 3.79Å; T196-T199 PolarHBondContact N-OG1 3.29Å; T196-T199 WeakPolarHBondContact O-CB 3.28Å; T196-T199 PolarHBondContact O-N 2.91Å; T196-T199 PolarHBondContact O-OG1 2.68Å; P197-T199 PolarHBondContact O-N 2.91Å; T199-L203 WeakPolarHBondContact O-CB 3.13Å; T199-L203 PolarHBondContact O-N 3.15Å
200M97.8Very high94.7Very high0 Ų059.2 Ų59.20%033%0.334CS..Hα-helixtrans-69.5-39.8177.6-65.1-55.4-59.200111.5P152 V158 M180 C187 M195 P197 E198 H202 L203 Y204P152-M200 HydrophobicContact CG-CE 3.69Å; V158-M200 HydrophobicContact CG2-CE 4.33Å; M180-M200 HydrophobicContact SD-CB 4.46Å; M180-M200 HydrophobicContact SD-CG 4.05Å; C187-M200 HydrophobicContact CB-CE 4.32Å; C187-M200 HydrophobicContact CB-SD 3.52Å; C187-M200 VanDerWaalsContact CB-SD 3.52Å; M195-M200 HydrophobicContact CE-CG 3.66Å; M195-M200 HydrophobicContact CE-SD 3.81Å; P197-M200 PolarHBondContact O-N 3.15Å; P197-M200 VanDerWaalsContact O-N 3.14Å; E198-M200 VanDerWaalsContact C-N 3.32Å; E198-M200 PolarHBondContact O-N 3.38Å; M200-H202 VanDerWaalsContact C-N 3.33Å; M200-H202 PolarHBondContact O-N 3.28Å; M200-L203 HydrophobicContact CE-CD2 4.3Å; M200-L203 PolarHBondContact O-N 3.41Å; M200-L203 HydrophobicContact SD-CD2 4.49Å; M200-Y204 HydrophobicContact CB-CD2 4.36Å; M200-Y204 HydrophobicContact CB-CE2 4.17Å; M200-Y204 HydrophobicContact CE-CD2 4.47Å; M200-Y204 HydrophobicContact CE-CE2 3.6Å; M200-Y204 WeakPolarHBondContact O-CD2 3.47Å; M200-Y204 PolarHBondContact O-N 2.82Å
201M97.4Very high95.3Very high58 Ų5857.9 Ų57.929%0.28632%0.324SS..Hα-helixtrans-58.7-44.8177.1-64.8-178.3-170.500111.9P197 E198 R205 Y211 W213P197-M201 HydrophobicContact CB-CE 4.32Å; P197-M201 WeakPolarHBondContact O-CG 3.42Å; P197-M201 PolarHBondContact O-N 2.82Å; P197-M201 VanDerWaalsContact O-N 3.09Å; E198-M201 PolarHBondContact O-N 2.82Å; M201-R205 VanDerWaalsContact O-CB 3.24Å; M201-R205 WeakPolarHBondContact O-CB 3.45Å; M201-R205 PolarHBondContact O-N 3.05Å; M201-Y211 HydrophobicContact CG-CD1 3.92Å; M201-Y211 HydrophobicContact CG-CE1 3.81Å; M201-W213 HydrophobicContact CE-CD2 4.42Å; M201-W213 HydrophobicContact CE-CE3 3.42Å; M201-W213 VanDerWaalsContact CE-CE3 3.42Å; M201-W213 HydrophobicContact CE-CZ3 3.85Å
202H97.3Very high96.1Very high91 Ų9154.4 Ų54.442%0.42130%0.301SS..Hα-helixtrans-67.2-42.9176.6-66.5140.4000111.9E198 M200 Y204 R205 D206E198-H202 WeakPolarHBondContact O-CB 3.25Å; E198-H202 VanDerWaalsContact O-CG 3.27Å; E198-H202 PolarHBondContact O-N 3.18Å; E198-H202 PolarHBondContact O-ND1 2.91Å; E198-H202 VanDerWaalsContact O-ND1 3.11Å; M200-H202 VanDerWaalsContact C-N 3.33Å; M200-H202 PolarHBondContact O-N 3.28Å; H202-Y204 PolarHBondContact O-N 3.12Å; H202-R205 PolarHBondContact O-N 3.01Å; H202-D206 WeakPolarHBondContact O-CB 3.25Å; H202-D206 VanDerWaalsContact O-CG 3.25Å; H202-D206 PolarHBondContact O-N 3.36Å
203L97.9Very high96.7Very high5 Ų554.4 Ų54.43%0.02628%0.279CS..Hα-helixtrans-58.4-48177.4177.758.7000111.9V155 V158 T159 C187 T199 M200 C207V155-L203 HydrophobicContact CG1-CD1 4.11Å; V158-L203 HydrophobicContact CB-CD2 3.94Å; V158-L203 HydrophobicContact CB-CG 4.18Å; V158-L203 HydrophobicContact CG1-CD2 4.34Å; V158-L203 HydrophobicContact CG1-CG 4.08Å; V158-L203 HydrophobicContact CG2-CD2 3.7Å; V158-L203 HydrophobicContact CG2-CG 4.34Å; T159-L203 HydrophobicContact CG2-CD1 4.19Å; C187-L203 HydrophobicContact CB-CD2 3.96Å; T199-L203 WeakPolarHBondContact O-CB 3.13Å; T199-L203 PolarHBondContact O-N 3.15Å; M200-L203 HydrophobicContact CE-CD2 4.3Å; M200-L203 PolarHBondContact O-N 3.41Å; M200-L203 HydrophobicContact SD-CD2 4.49Å; L203-C207 WeakPolarHBondContact O-CB 3.27Å; L203-C207 PolarHBondContact O-N 3Å; L203-C207 VanDerWaalsContact O-N 3.14Å; L203-C207 PolarHBondContact O-SG 2.93Å
204Y98.5Very high97.2Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-66.8-42.3177.8-70-55.9000112.4V158 L162 V171 M200 H202 D206 C207 G208 L209 Y211V158-Y204 HydrophobicContact CB-CE1 4.33Å; V158-Y204 HydrophobicContact CG1-CD1 3.59Å; V158-Y204 HydrophobicContact CG1-CE1 3.54Å; V158-Y204 HydrophobicContact CG2-CE1 3.8Å; L162-Y204 HydrophobicContact CD1-CE1 4.28Å; V171-Y204 HydrophobicContact CB-CE1 4.25Å; V171-Y204 HydrophobicContact CG1-CE1 4.28Å; V171-Y204 HydrophobicContact CG1-CE2 4.35Å; V171-Y204 HydrophobicContact CG2-CD1 4.13Å; V171-Y204 HydrophobicContact CG2-CE1 3.74Å; M200-Y204 HydrophobicContact CB-CD2 4.36Å; M200-Y204 HydrophobicContact CB-CE2 4.17Å; M200-Y204 HydrophobicContact CE-CD2 4.47Å; M200-Y204 HydrophobicContact CE-CE2 3.6Å; M200-Y204 WeakPolarHBondContact O-CD2 3.47Å; M200-Y204 PolarHBondContact O-N 2.82Å; H202-Y204 PolarHBondContact O-N 3.12Å; Y204-D206 VanDerWaalsContact C-N 3.33Å; Y204-D206 PolarHBondContact O-N 3.09Å; Y204-C207 CarbonylContact O-C 3.49Å; Y204-C207 PolarHBondContact O-N 2.54Å; Y204-C207 VanDerWaalsContact O-N 3.16Å; Y204-G208 PolarHBondContact O-N 2.79Å; Y204-G208 VanDerWaalsContact O-N 3.14Å; Y204-L209 HydrophobicContact CD1-CB 4.14Å; Y204-L209 HydrophobicContact CD1-CD1 3.8Å; Y204-L209 HydrophobicContact CE1-CD1 4.33Å; Y204-L209 PolarHBondContact O-N 3.38Å; Y204-Y211 AromaticContact CD2-CD1 3.98Å; Y204-Y211 HydrophobicContact CD2-CD1 3.98Å; Y204-Y211 AromaticContact CD2-CD2 3.3Å; Y204-Y211 HydrophobicContact CD2-CD2 3.3Å; Y204-Y211 HydrophobicContact CD2-CE1 4.18Å; Y204-Y211 AromaticContact CD2-CE2 3.54Å; Y204-Y211 HydrophobicContact CD2-CE2 3.54Å; Y204-Y211 AromaticContact CD2-CG 3.53Å; Y204-Y211 HydrophobicContact CD2-CG 3.53Å; Y204-Y211 AromaticContact CD2-CZ 3.97Å; Y204-Y211 AromaticContact CE2-CD2 3.47Å; Y204-Y211 HydrophobicContact CE2-CD2 3.47Å; Y204-Y211 VanDerWaalsContact CE2-CD2 3.47Å; Y204-Y211 HydrophobicContact CE2-CE1 4.48Å; Y204-Y211 AromaticContact CE2-CE2 3.26Å; Y204-Y211 HydrophobicContact CE2-CE2 3.26Å; Y204-Y211 HydrophobicContact CE2-CG 4.17Å; Y204-Y211 AromaticContact CE2-CZ 3.82Å; Y204-Y211 HydrophobicContact CG-CD2 4.09Å; Y204-Y211 HydrophobicContact CG-CG 4.19Å
205R98.1Very high97.5Very high166 Ų16645.5 Ų45.563%0.62624%0.243SC*.Hα-helixtrans-56-48.5176.4179.9-176.2-65.1167.72.2111.4M201 H202 C207 G208M201-R205 VanDerWaalsContact O-CB 3.24Å; M201-R205 WeakPolarHBondContact O-CB 3.45Å; M201-R205 PolarHBondContact O-N 3.05Å; H202-R205 PolarHBondContact O-N 3.01Å; R205-C207 PolarHBondContact O-N 3.43Å; R205-G208 PolarHBondContact O-N 2.91Å
206D97.8Very high97.7Very high90 Ų9044.9 Ų44.948%0.48124%0.24SC..Hα-helixtrans-72-21.9-177-68.11.5000112.2R189 H202 Y204 G208R189-D206 IonicContact CZ-OD2 3.86Å; R189-D206 IonicContact NH1-OD2 2.72Å; R189-D206 PolarHBondContact NH1-OD2 3.22Å; R189-D206 VanDerWaalsContact NH2-CG 3.3Å; R189-D206 IonicContact NH2-OD2 3.26Å; R189-D206 PolarHBondContact NH2-OD2 3.01Å; H202-D206 WeakPolarHBondContact O-CB 3.25Å; H202-D206 VanDerWaalsContact O-CG 3.25Å; H202-D206 PolarHBondContact O-N 3.36Å; Y204-D206 VanDerWaalsContact C-N 3.33Å; Y204-D206 PolarHBondContact O-N 3.09Å; D206-G208 VanDerWaalsContact C-N 3.3Å
207C97.9Very high97.7Very high13 Ų1346.4 Ų46.49%0.08825%0.251CS..Hα-helixtrans-79.7-10.9169.7-68.40000113.5K163 L203 Y204 R205 L209K163-C207 HydrophobicContact CD-CB 4.18Å; K163-C207 VanDerWaalsContact CE-O 3.31Å; K163-C207 WeakPolarHBondContact CE-O 3.26Å; K163-C207 PolarHBondContact NZ-O 3.46Å; K163-C207 VanDerWaalsContact NZ-O 3.07Å; L203-C207 WeakPolarHBondContact O-CB 3.27Å; L203-C207 PolarHBondContact O-N 3Å; L203-C207 VanDerWaalsContact O-N 3.14Å; L203-C207 PolarHBondContact O-SG 2.93Å; Y204-C207 CarbonylContact O-C 3.49Å; Y204-C207 PolarHBondContact O-N 2.54Å; Y204-C207 VanDerWaalsContact O-N 3.16Å; R205-C207 PolarHBondContact O-N 3.43Å; C207-L209 HydrophobicContact CB-CD1 3.94Å; C207-L209 HydrophobicContact CB-CG 3.86Å
208G98.3Very high97.6Very high66 Ų6649 Ų4968%0.6826%0.264SS*.THydrogen-bonded Turntrans75.123.9-172.900000113.7Y204 R205 D206Y204-G208 PolarHBondContact O-N 2.79Å; Y204-G208 VanDerWaalsContact O-N 3.14Å; R205-G208 PolarHBondContact O-N 2.91Å; D206-G208 VanDerWaalsContact C-N 3.3Å
209L98.8Very high97.4Very high12 Ų1251.6 Ų51.66%0.06328%0.279CS..  trans-96.6126.9-179.1-60.2177.9000110.2V158 V168 Y204 C207 Y211V158-L209 HydrophobicContact CG1-CD1 3.85Å; V168-L209 WeakPolarHBondContact O-CD2 3.18Å; Y204-L209 HydrophobicContact CD1-CB 4.14Å; Y204-L209 HydrophobicContact CD1-CD1 3.8Å; Y204-L209 HydrophobicContact CE1-CD1 4.33Å; Y204-L209 PolarHBondContact O-N 3.38Å; C207-L209 HydrophobicContact CB-CD1 3.94Å; C207-L209 HydrophobicContact CB-CG 3.86Å; L209-Y211 PolarHBondContact O-N 3.26Å
210A98.8Very high97.5Very high37 Ų3752.2 Ų52.231%0.30628%0.284SS..EExtended strand (participates in β ladder)trans-62.9137.2170.100000109.3T169 A170 V171T169-A210 PolarHBondContact O-N 2.71Å; A170-A210 CarbonylContact C-O 3.6Å; A170-A210 VanDerWaalsContact CA-O 3.25Å; A170-A210 WeakPolarHBondContact CA-O 3.28Å; A170-A210 HydrophobicContact CB-CB 3.92Å; V171-A210 PolarHBondContact N-O 2.73Å
211Y98.8Very high97.4Very high47 Ų4754.2 Ų54.218%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-131.9122.8-175-176.7-125000111.2V171 N173 M201 Y204 L209 W213V171-Y211 HydrophobicContact CB-CD2 4.03Å; V171-Y211 HydrophobicContact CG1-CD2 4.1Å; V171-Y211 HydrophobicContact CG1-CE2 4.19Å; N173-Y211 HydrophobicContact CB-CE2 3.61Å; N173-Y211 WeakPolarHBondContact CB-OH 3.27Å; N173-Y211 PolarHBondContact ND2-OH 3.17Å; M201-Y211 HydrophobicContact CG-CD1 3.92Å; M201-Y211 HydrophobicContact CG-CE1 3.81Å; Y204-Y211 AromaticContact CD2-CD1 3.98Å; Y204-Y211 HydrophobicContact CD2-CD1 3.98Å; Y204-Y211 AromaticContact CD2-CD2 3.3Å; Y204-Y211 HydrophobicContact CD2-CD2 3.3Å; Y204-Y211 HydrophobicContact CD2-CE1 4.18Å; Y204-Y211 AromaticContact CD2-CE2 3.54Å; Y204-Y211 HydrophobicContact CD2-CE2 3.54Å; Y204-Y211 AromaticContact CD2-CG 3.53Å; Y204-Y211 HydrophobicContact CD2-CG 3.53Å; Y204-Y211 AromaticContact CD2-CZ 3.97Å; Y204-Y211 AromaticContact CE2-CD2 3.47Å; Y204-Y211 HydrophobicContact CE2-CD2 3.47Å; Y204-Y211 VanDerWaalsContact CE2-CD2 3.47Å; Y204-Y211 HydrophobicContact CE2-CE1 4.48Å; Y204-Y211 AromaticContact CE2-CE2 3.26Å; Y204-Y211 HydrophobicContact CE2-CE2 3.26Å; Y204-Y211 HydrophobicContact CE2-CG 4.17Å; Y204-Y211 AromaticContact CE2-CZ 3.82Å; Y204-Y211 HydrophobicContact CG-CD2 4.09Å; Y204-Y211 HydrophobicContact CG-CG 4.19Å; L209-Y211 PolarHBondContact O-N 3.26Å; Y211-W213 HydrophobicContact CE1-CB 3.79Å; Y211-W213 HydrophobicContact CE1-CG 4.46Å
212V98.8Very high97.4Very high33 Ų3357.6 Ų57.620%0.231%0.311CS..EExtended strand (participates in β ladder)trans-116.9114.1175.81770000107.7V171 M172 N173 I214 L234 L238V171-V212 PolarHBondContact O-N 3.29Å; M172-V212 WeakPolarHBondContact CA-O 3.42Å; M172-V212 HydrophobicContact CE-CG1 4.16Å; M172-V212 HydrophobicContact CG-CB 4.2Å; N173-V212 PolarHBondContact N-O 2.88Å; V212-I214 HydrophobicContact CG1-CD1 3.83Å; V212-I214 HydrophobicContact CG1-CG1 3.82Å; V212-L234 HydrophobicContact CG1-CD1 4.05Å; V212-L238 HydrophobicContact CG2-CD1 4.21Å
213W98.8Very high97.4Very high71 Ų7153.8 Ų53.827%0.26930%0.296SS..EExtended strand (participates in β ladder)trans-107.6119.6177.9-17939.6000110.4Q175 M180 P197 M201 Y211 P215Q175-W213 PolarHBondContact O-NE1 3.31Å; M180-W213 HydrophobicContact CE-CD2 4.15Å; M180-W213 HydrophobicContact CE-CH2 4.12Å; M180-W213 HydrophobicContact CE-CZ2 3.26Å; M180-W213 VanDerWaalsContact CE-NE1 3.33Å; P197-W213 HydrophobicContact CB-CE3 4.16Å; P197-W213 HydrophobicContact CB-CH2 3.52Å; P197-W213 HydrophobicContact CB-CZ2 4.09Å; P197-W213 HydrophobicContact CB-CZ3 3.55Å; P197-W213 HydrophobicContact CG-CH2 3.42Å; P197-W213 VanDerWaalsContact CG-CH2 3.42Å; P197-W213 HydrophobicContact CG-CZ2 3.98Å; P197-W213 HydrophobicContact CG-CZ3 3.97Å; M201-W213 HydrophobicContact CE-CD2 4.42Å; M201-W213 HydrophobicContact CE-CE3 3.42Å; M201-W213 VanDerWaalsContact CE-CE3 3.42Å; M201-W213 HydrophobicContact CE-CZ3 3.85Å; Y211-W213 HydrophobicContact CE1-CB 3.79Å; Y211-W213 HydrophobicContact CE1-CG 4.46Å; W213-P215 HydrophobicContact CD2-CG 4.47Å; W213-P215 HydrophobicContact CH2-CG 4.49Å; W213-P215 HydrophobicContact CZ2-CB 3.83Å; W213-P215 HydrophobicContact CZ2-CG 3.99Å
214I98.3Very high97.4Very high27 Ų2754.3 Ų54.314%0.13830%0.298CS..  trans-127.778.6-178.5-51.1171.8000107.7M172 N173 F174 V212 T216 V227 A231 L234M172-I214 HydrophobicContact CE-CD1 3.77Å; N173-I214 PolarHBondContact O-N 3.49Å; F174-I214 WeakPolarHBondContact CA-O 3.45Å; F174-I214 HydrophobicContact CD1-CB 4.13Å; F174-I214 HydrophobicContact CE1-CB 4.16Å; F174-I214 HydrophobicContact CE1-CD1 4.08Å; F174-I214 HydrophobicContact CE1-CG2 4.5Å; V212-I214 HydrophobicContact CG1-CD1 3.83Å; V212-I214 HydrophobicContact CG1-CG1 3.82Å; I214-T216 PolarHBondContact O-N 2.77Å; I214-T216 PolarHBondContact O-OG1 2.83Å; I214-V227 HydrophobicContact CG2-CG1 3.47Å; I214-V227 VanDerWaalsContact CG2-CG1 3.47Å; I214-A231 HydrophobicContact CD1-CB 4.24Å; I214-L234 HydrophobicContact CD1-CD1 3.76Å
215P98.1Very high97.4Very high65 Ų6555.6 Ų55.642%0.42231%0.306SS..  trans-59.2117.2-175.623.6-32.3000110.3Q175 W213Q175-P215 WeakPolarHBondContact O-CA 3.33Å; W213-P215 HydrophobicContact CD2-CG 4.47Å; W213-P215 HydrophobicContact CH2-CG 4.49Å; W213-P215 HydrophobicContact CZ2-CB 3.83Å; W213-P215 HydrophobicContact CZ2-CG 3.99Å
216T97.8Very high97.3Very high3 Ų355.9 Ų55.92%0.01831%0.307CS..  trans-127127.3-172.8-55.50000109F174 I214 D218 V227 R255F174-T216 PolarHBondContact O-N 2.72Å; F174-T216 VanDerWaalsContact O-N 3.12Å; I214-T216 PolarHBondContact O-N 2.77Å; I214-T216 PolarHBondContact O-OG1 2.83Å; T216-D218 PolarHBondContact O-N 3.19Å; T216-V227 HydrophobicContact CG2-CB 4.36Å; T216-V227 HydrophobicContact CG2-CG2 4.14Å; T216-R255 HydrophobicContact CG2-CG 4.19Å; T216-R255 WeakPolarHBondContact O-CD 3.31Å; T216-R255 PolarHBondContact O-NH1 3.24Å
217P95.8Very high97.3Very high72 Ų7253 Ų5347%0.46829%0.293SS..  trans-55.1134175.2-25.434.6000111.5
218D92.4Very high97.3Very high57 Ų5752.7 Ų52.731%0.30529%0.29SS..THydrogen-bonded Turntrans-79.3165171.1-141.7-19.1000111.1T216 S220 R224 R255T216-D218 PolarHBondContact O-N 3.19Å; D218-S220 PolarHBondContact O-N 2.69Å; D218-S220 VanDerWaalsContact O-N 3.13Å; D218-R224 IonicContact OD1-NH2 3.45Å; D218-R224 PolarHBondContact OD1-NH2 2.79Å; D218-R255 VanDerWaalsContact CG-NE 3.25Å; D218-R255 IonicContact OD1-NE 2.77Å; D218-R255 IonicContact OD2-CZ 3.29Å; D218-R255 VanDerWaalsContact OD2-CZ 3.25Å; D218-R255 IonicContact OD2-NE 3.55Å; D218-R255 PolarHBondContact OD2-NE 3.43Å; D218-R255 VanDerWaalsContact OD2-NE 3.15Å; D218-R255 IonicContact OD2-NH2 2.76Å; D218-R255 PolarHBondContact OD2-NH2 3.09Å
219M93.1Very high97.4Very high148 Ų14849.5 Ų49.573%0.72926%0.258SS*.THydrogen-bonded Turntrans55.330.8178.1-54.2-58.7-72.100114M121M121-M219 HydrophobicContact CE-CE 4Å
220S96.7Very high97.4Very high36 Ų3652.2 Ų52.225%0.25227%0.27SS..  trans-133.6107.3-179.8-1790000110.9D218 E222 G223 R224D218-S220 PolarHBondContact O-N 2.69Å; D218-S220 VanDerWaalsContact O-N 3.13Å; S220-E222 VanDerWaalsContact C-N 3.33Å; S220-G223 PolarHBondContact O-N 3.11Å; S220-G223 PolarHBondContact OG-N 3.12Å; S220-R224 WeakPolarHBondContact O-CG 3.4Å; S220-R224 PolarHBondContact O-N 3.29Å
221T97.1Very high97.4Very high41 Ų4150.5 Ų50.525%0.25226%0.256SS..Hα-helixtrans-59-46.1172.3-53.10000110.3G223 R224 T225 E291 A292T221-G223 PolarHBondContact O-N 3.01Å; T221-R224 WeakPolarHBondContact O-CB 3.03Å; T221-R224 PolarHBondContact O-N 2.94Å; T221-T225 PolarHBondContact O-N 3.46Å; T221-T225 PolarHBondContact O-OG1 2.85Å; T221-E291 HydrophobicContact CG2-CB 4.08Å; T221-E291 HydrophobicContact CG2-CG 3.94Å; T221-A292 HydrophobicContact CG2-CB 3.89Å
222E97.4Very high97.4Very high129 Ų12948.2 Ų48.260%0.60325%0.247SC*.Hα-helixtrans-59.9-45.1177.2-169.6-167.6155.600112.1S220 R224 T225 R226S220-E222 VanDerWaalsContact C-N 3.33Å; E222-R224 VanDerWaalsContact C-N 3.28Å; E222-R224 PolarHBondContact O-N 3.27Å; E222-T225 PolarHBondContact O-N 2.89Å; E222-R226 WeakPolarHBondContact O-CG 3.37Å; E222-R226 PolarHBondContact O-N 2.97Å
223G96.4Very high97.4Very high11 Ų1150.8 Ų50.811%0.11326%0.255CS..Hα-helixtrans-58.3-41.2176.400000112.2S220 T221 V227S220-G223 PolarHBondContact O-N 3.11Å; S220-G223 PolarHBondContact OG-N 3.12Å; T221-G223 PolarHBondContact O-N 3.01Å; G223-V227 WeakPolarHBondContact O-CG2 3.3Å; G223-V227 PolarHBondContact O-N 2.78Å
224R98Very high97.4Very high16 Ų1650.8 Ų50.86%0.0626%0.26CS..Hα-helixtrans-65.4-50.5174.1-68.6164-172.4164.42.6111D218 S220 T221 E222 R226 V227 L228 D289 A292D218-R224 IonicContact OD1-NH2 3.45Å; D218-R224 PolarHBondContact OD1-NH2 2.79Å; S220-R224 WeakPolarHBondContact O-CG 3.4Å; S220-R224 PolarHBondContact O-N 3.29Å; T221-R224 WeakPolarHBondContact O-CB 3.03Å; T221-R224 PolarHBondContact O-N 2.94Å; E222-R224 VanDerWaalsContact C-N 3.28Å; E222-R224 PolarHBondContact O-N 3.27Å; R224-R226 VanDerWaalsContact C-N 3.27Å; R224-R226 PolarHBondContact O-N 3.22Å; R224-V227 PolarHBondContact O-N 2.9Å; R224-L228 WeakPolarHBondContact O-CB 3.28Å; R224-L228 WeakPolarHBondContact O-CG 3.32Å; R224-L228 PolarHBondContact O-N 3.35Å; R224-D289 WeakPolarHBondContact CD-OD2 3.49Å; R224-D289 IonicContact CZ-OD2 3.65Å; R224-D289 IonicContact NE-OD2 3.8Å; R224-D289 IonicContact NH1-OD2 2.71Å; R224-D289 PolarHBondContact NH1-OD2 2.71Å; R224-A292 HydrophobicContact CB-CB 3.83Å
225T98.3Very high97.4Very high28 Ų2849.5 Ų49.517%0.17225%0.254CS..Hα-helixtrans-52.9-44.8179.8-58.50000112T221 E222 V227 P229 A292 N295 A296T221-T225 PolarHBondContact O-N 3.46Å; T221-T225 PolarHBondContact O-OG1 2.85Å; E222-T225 PolarHBondContact O-N 2.89Å; T225-V227 PolarHBondContact O-N 3.32Å; T225-P229 WeakPolarHBondContact O-CD 3.44Å; T225-A292 WeakPolarHBondContact OG1-CA 3.17Å; T225-N295 HydrophobicContact CG2-CB 3.79Å; T225-A296 HydrophobicContact CG2-CB 4.12Å; T225-A296 WeakPolarHBondContact O-CB 3.04Å
226R97.3Very high97.4Very high171 Ų17147.1 Ų47.165%0.64524%0.237SC*.Hα-helixtrans-70-30.2-176.9-71.6178.463.4-179.2-1.9114.4E222 R224 Q230E222-R226 WeakPolarHBondContact O-CG 3.37Å; E222-R226 PolarHBondContact O-N 2.97Å; R224-R226 VanDerWaalsContact C-N 3.27Å; R224-R226 PolarHBondContact O-N 3.22Å; R226-Q230 PolarHBondContact O-OE1 2.98Å; R226-Q230 VanDerWaalsContact O-OE1 3.1Å
227V97.2Very high97.4Very high31 Ų3148.8 Ų48.819%0.18825%0.254CS..Hα-helixtrans-94.2-28.7-175.5170.80000112.2F174 I214 T216 G223 R224 T225 Q230 A231F174-V227 HydrophobicContact CE1-CG1 4.4Å; I214-V227 HydrophobicContact CG2-CG1 3.47Å; I214-V227 VanDerWaalsContact CG2-CG1 3.47Å; T216-V227 HydrophobicContact CG2-CB 4.36Å; T216-V227 HydrophobicContact CG2-CG2 4.14Å; G223-V227 WeakPolarHBondContact O-CG2 3.3Å; G223-V227 PolarHBondContact O-N 2.78Å; R224-V227 PolarHBondContact O-N 2.9Å; T225-V227 PolarHBondContact O-N 3.32Å; V227-Q230 PolarHBondContact O-N 2.76Å; V227-Q230 PolarHBondContact O-OE1 3.14Å; V227-A231 HydrophobicContact CG1-CB 4.19Å; V227-A231 WeakPolarHBondContact O-CB 3.23Å; V227-A231 PolarHBondContact O-N 3.05Å
228L98.4Very high97.5Very high5 Ų546.4 Ų46.43%0.02624%0.238CC..Hα-helixtrans-49.2-48.8-173.6-93.4171.6000113.5R224 Q230 A231 V232 A258 A292 L293 A296R224-L228 WeakPolarHBondContact O-CB 3.28Å; R224-L228 WeakPolarHBondContact O-CG 3.32Å; R224-L228 PolarHBondContact O-N 3.35Å; L228-Q230 PolarHBondContact O-N 3.47Å; L228-A231 PolarHBondContact O-N 2.88Å; L228-V232 WeakPolarHBondContact O-CB 3.39Å; L228-V232 VanDerWaalsContact O-CG2 3.26Å; L228-V232 WeakPolarHBondContact O-CG2 3.28Å; L228-V232 PolarHBondContact O-N 3.19Å; L228-A258 VanDerWaalsContact CD2-C 3.42Å; L228-A258 HydrophobicContact CD2-CB 3.9Å; L228-A258 WeakPolarHBondContact CD2-O 3.48Å; L228-A258 HydrophobicContact CG-CB 4.48Å; L228-A292 HydrophobicContact CD1-CB 4.05Å; L228-A292 WeakPolarHBondContact CD1-O 3.48Å; L228-L293 HydrophobicContact CD1-CD2 4.36Å; L228-A296 HydrophobicContact CB-CB 3.73Å; L228-A296 HydrophobicContact CD1-CB 3.91Å; L228-A296 HydrophobicContact CG-CB 4.48Å
229P98.7Very high97.8Very high0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-59.5-46.1-176.1-31.141.3000113.4T225 V232 F233 A296 D299 F300 K303 F304T225-P229 WeakPolarHBondContact O-CD 3.44Å; P229-V232 PolarHBondContact O-N 3.29Å; P229-F233 WeakPolarHBondContact O-CB 3.19Å; P229-F233 PolarHBondContact O-N 2.86Å; P229-A296 HydrophobicContact CG-CB 4.18Å; P229-D299 HydrophobicContact CG-CB 4.2Å; P229-D299 WeakPolarHBondContact CG-OD2 3.23Å; P229-F300 HydrophobicContact CB-CB 3.98Å; P229-F300 HydrophobicContact CB-CD2 4.19Å; P229-F300 HydrophobicContact CG-CB 4.25Å; P229-F300 WeakPolarHBondContact O-CD2 3.49Å; P229-K303 HydrophobicContact CB-CD 4.36Å; P229-F304 HydrophobicContact CB-CE2 3.98Å; P229-F304 VanDerWaalsContact O-CE2 3.31Å; P229-F304 WeakPolarHBondContact O-CE2 3.27Å
230Q98.7Very high98Very high68 Ų6839.7 Ų39.732%0.31820%0.203SC..Hα-helixtrans-70.4-40.6-179-61.882.8-16.300110.6R226 V227 L228 V232 F233 L234 K303 F304R226-Q230 PolarHBondContact O-OE1 2.98Å; R226-Q230 VanDerWaalsContact O-OE1 3.1Å; V227-Q230 PolarHBondContact O-N 2.76Å; V227-Q230 PolarHBondContact O-OE1 3.14Å; L228-Q230 PolarHBondContact O-N 3.47Å; Q230-V232 PolarHBondContact O-N 3.45Å; Q230-F233 PolarHBondContact O-N 2.92Å; Q230-L234 WeakPolarHBondContact O-CB 3.49Å; Q230-L234 VanDerWaalsContact O-CG 3.29Å; Q230-L234 WeakPolarHBondContact O-CG 3.2Å; Q230-L234 PolarHBondContact O-N 3.01Å; Q230-K303 VanDerWaalsContact NE2-NZ 3.15Å; Q230-F304 HydrophobicContact CG-CZ 4.45Å
231A98.8Very high98Very high1 Ų143.7 Ų43.71%0.00822%0.222CC..Hα-helixtrans-60.8-44.5175.900000111.9F174 I214 V227 L228 L234 L235 A259F174-A231 HydrophobicContact CE1-CB 3.65Å; F174-A231 HydrophobicContact CZ-CB 3.86Å; I214-A231 HydrophobicContact CD1-CB 4.24Å; V227-A231 HydrophobicContact CG1-CB 4.19Å; V227-A231 WeakPolarHBondContact O-CB 3.23Å; V227-A231 PolarHBondContact O-N 3.05Å; L228-A231 PolarHBondContact O-N 2.88Å; A231-L234 PolarHBondContact O-N 3.3Å; A231-L235 WeakPolarHBondContact O-CB 3.35Å; A231-L235 PolarHBondContact O-N 2.6Å; A231-A259 HydrophobicContact CB-CB 4.26Å
232V98.8Very high98Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-66.1-42.5178.1173.60000111.2L228 P229 Q230 L234 L235 H236 G262 L263 Y266 V267 F300L228-V232 WeakPolarHBondContact O-CB 3.39Å; L228-V232 VanDerWaalsContact O-CG2 3.26Å; L228-V232 WeakPolarHBondContact O-CG2 3.28Å; L228-V232 PolarHBondContact O-N 3.19Å; P229-V232 PolarHBondContact O-N 3.29Å; Q230-V232 PolarHBondContact O-N 3.45Å; V232-L234 PolarHBondContact O-N 2.64Å; V232-L235 PolarHBondContact O-N 2.91Å; V232-H236 WeakPolarHBondContact O-CB 3.4Å; V232-H236 PolarHBondContact O-N 2.66Å; V232-G262 VanDerWaalsContact CG2-C 3.47Å; V232-L263 HydrophobicContact CG1-CB 4.48Å; V232-Y266 HydrophobicContact CB-CD2 4.25Å; V232-Y266 HydrophobicContact CG1-CD2 4.13Å; V232-Y266 HydrophobicContact CG2-CD2 3.89Å; V232-Y266 HydrophobicContact CG2-CE2 4.05Å; V232-V267 HydrophobicContact CG1-CG2 3.82Å; V232-F300 HydrophobicContact CB-CD2 4.16Å; V232-F300 HydrophobicContact CB-CE2 3.84Å; V232-F300 HydrophobicContact CG1-CD2 4.18Å; V232-F300 HydrophobicContact CG1-CE2 3.53Å; V232-F300 HydrophobicContact CG1-CZ 3.91Å
233F98.7Very high98Very high86 Ų8639.7 Ų39.738%0.37721%0.213SC..Hα-helixtrans-59.3-46.2176.5-179.8-100.1000112P229 Q230 H236 G237 F300 F304 L307P229-F233 WeakPolarHBondContact O-CB 3.19Å; P229-F233 PolarHBondContact O-N 2.86Å; Q230-F233 PolarHBondContact O-N 2.92Å; F233-H236 PolarHBondContact O-N 3.1Å; F233-G237 PolarHBondContact O-N 3.16Å; F233-F300 HydrophobicContact CB-CE2 4.38Å; F233-F304 HydrophobicContact CB-CD1 4.17Å; F233-F304 HydrophobicContact CB-CD2 3.99Å; F233-F304 HydrophobicContact CB-CE1 4Å; F233-F304 HydrophobicContact CB-CE2 3.82Å; F233-F304 HydrophobicContact CB-CG 4.16Å; F233-F304 HydrophobicContact CB-CZ 3.82Å; F233-F304 HydrophobicContact CD1-CD1 4.3Å; F233-F304 AromaticContact CD1-CE1 3.93Å; F233-F304 HydrophobicContact CD1-CE1 3.93Å; F233-F304 HydrophobicContact CD1-CZ 4.38Å; F233-F304 HydrophobicContact CD2-CB 3.98Å; F233-F304 AromaticContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD2 4.28Å; F233-F304 AromaticContact CD2-CE1 3.78Å; F233-F304 HydrophobicContact CD2-CE1 3.78Å; F233-F304 AromaticContact CD2-CG 3.58Å; F233-F304 HydrophobicContact CD2-CG 3.58Å; F233-F304 HydrophobicContact CD2-CZ 4.43Å; F233-F304 HydrophobicContact CE1-CE1 4.36Å; F233-F304 HydrophobicContact CE2-CB 4.47Å; F233-F304 AromaticContact CE2-CD1 3.67Å; F233-F304 HydrophobicContact CE2-CD1 3.67Å; F233-F304 HydrophobicContact CE2-CE1 4.23Å; F233-F304 HydrophobicContact CE2-CG 4.26Å; F233-F304 AromaticContact CG-CD1 3.66Å; F233-F304 HydrophobicContact CG-CD1 3.66Å; F233-F304 HydrophobicContact CG-CD2 4.37Å; F233-F304 AromaticContact CG-CE1 3.61Å; F233-F304 HydrophobicContact CG-CE1 3.61Å; F233-F304 HydrophobicContact CG-CE2 4.33Å; F233-F304 HydrophobicContact CG-CG 4.04Å; F233-F304 AromaticContact CG-CZ 3.96Å; F233-F304 HydrophobicContact CG-CZ 3.96Å; F233-F304 HydrophobicContact CZ-CD1 4.3Å; F233-F304 HydrophobicContact CZ-CE1 4.5Å; F233-L307 HydrophobicContact CD2-CD1 3.95Å; F233-L307 HydrophobicContact CE2-CD1 4.45Å
234L98.8Very high98.1Very high71 Ų7140.5 Ų40.537%0.37222%0.215SC..Hα-helixtrans-66.6-42.6178.1-69.4168.2000112.1M172 V212 I214 Q230 A231 V232 H236 G237 L238M172-L234 HydrophobicContact CE-CB 4Å; V212-L234 HydrophobicContact CG1-CD1 4.05Å; I214-L234 HydrophobicContact CD1-CD1 3.76Å; Q230-L234 WeakPolarHBondContact O-CB 3.49Å; Q230-L234 VanDerWaalsContact O-CG 3.29Å; Q230-L234 WeakPolarHBondContact O-CG 3.2Å; Q230-L234 PolarHBondContact O-N 3.01Å; A231-L234 PolarHBondContact O-N 3.3Å; V232-L234 PolarHBondContact O-N 2.64Å; L234-H236 PolarHBondContact O-N 3.38Å; L234-G237 PolarHBondContact O-N 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.45Å; L234-L238 PolarHBondContact O-N 2.97Å
235L98.7Very high98.2Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-60.7-45.5176.2179.853.6000111.2M172 A231 V232 L238 L239 V245 V247 L263M172-L235 HydrophobicContact CE-CB 4.35Å; M172-L235 VanDerWaalsContact SD-CA 3.6Å; M172-L235 HydrophobicContact SD-CB 3.57Å; M172-L235 VanDerWaalsContact SD-CB 3.57Å; M172-L235 HydrophobicContact SD-CD1 3.8Å; M172-L235 HydrophobicContact SD-CG 4.2Å; A231-L235 WeakPolarHBondContact O-CB 3.35Å; A231-L235 PolarHBondContact O-N 2.6Å; V232-L235 PolarHBondContact O-N 2.91Å; L235-L238 PolarHBondContact O-N 2.81Å; L235-L239 HydrophobicContact CD1-CD1 4.06Å; L235-L239 HydrophobicContact CD1-CG 4.34Å; L235-L239 HydrophobicContact CG-CD1 4.1Å; L235-L239 VanDerWaalsContact O-CG 3.27Å; L235-L239 WeakPolarHBondContact O-CG 3.3Å; L235-L239 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-N 3.08Å; L235-V245 HydrophobicContact CD1-CB 4.11Å; L235-V245 HydrophobicContact CD1-CG1 3.81Å; L235-V245 HydrophobicContact CD1-CG2 4.23Å; L235-V247 HydrophobicContact CD1-CG2 3.83Å; L235-V247 HydrophobicContact CD2-CG2 4.3Å; L235-L263 HydrophobicContact CD2-CB 4.06Å; L235-L263 HydrophobicContact CD2-CD2 3.96Å; L235-L263 HydrophobicContact CD2-CG 4.49Å; L235-L263 HydrophobicContact CG-CD2 4.15Å
236H98.3Very high98.2Very high16 Ų1638.4 Ų38.47%0.07420%0.204CC..Hα-helixtrans-60.3-47.2175.5177.5-111.8000111.5V232 F233 L234 L238 L239 E240 L263 V267 L307 R308V232-H236 WeakPolarHBondContact O-CB 3.4Å; V232-H236 PolarHBondContact O-N 2.66Å; F233-H236 PolarHBondContact O-N 3.1Å; L234-H236 PolarHBondContact O-N 3.38Å; H236-L238 PolarHBondContact O-N 3.03Å; H236-L239 PolarHBondContact O-N 2.95Å; H236-E240 IonicContact CD2-OE1 2.66Å; H236-E240 VanDerWaalsContact CE1-CG 3.48Å; H236-E240 WeakPolarHBondContact CE1-CG 3.29Å; H236-E240 VanDerWaalsContact NE2-CG 3.3Å; H236-E240 WeakPolarHBondContact NE2-CG 3.43Å; H236-E240 IonicContact NE2-OE1 3.29Å; H236-E240 PolarHBondContact NE2-OE1 3.42Å; H236-E240 WeakPolarHBondContact O-CG 3.34Å; H236-E240 PolarHBondContact O-N 2.89Å; H236-L263 HydrophobicContact CB-CD1 4.03Å; H236-V267 HydrophobicContact CB-CG2 4.4Å; H236-L307 WeakPolarHBondContact ND1-CD1 3.33Å; H236-R308 PolarHBondContact CE1-O 3.16Å; H236-R308 PolarHBondContact NE2-O 3.43Å
237G98.1Very high98.3Very high37 Ų3730.2 Ų30.238%0.38117%0.174SC..Hα-helixtrans-59.1-42.6177.400000113.5F233 L234 L239 E240 N241F233-G237 PolarHBondContact O-N 3.16Å; L234-G237 PolarHBondContact O-N 3.3Å; G237-L239 VanDerWaalsContact C-N 3.3Å; G237-L239 PolarHBondContact O-N 3.27Å; G237-E240 PolarHBondContact O-N 3.17Å; G237-N241 WeakPolarHBondContact O-CB 3.35Å; G237-N241 PolarHBondContact O-N 3.05Å
238L98.5Very high98.4Very high23 Ų2328.8 Ų28.812%0.1217%0.165CC..Hα-helixtrans-60.6-41174-70.9171.5000111.5A170 M172 V212 L234 L235 H236 N241 H243 V245A170-L238 HydrophobicContact CB-CD1 4.15Å; A170-L238 HydrophobicContact CB-CD2 3.96Å; M172-L238 HydrophobicContact CG-CD1 3.76Å; M172-L238 HydrophobicContact SD-CD1 3.93Å; V212-L238 HydrophobicContact CG2-CD1 4.21Å; L234-L238 WeakPolarHBondContact O-CG 3.45Å; L234-L238 PolarHBondContact O-N 2.97Å; L235-L238 PolarHBondContact O-N 2.81Å; H236-L238 PolarHBondContact O-N 3.03Å; L238-N241 PolarHBondContact O-N 2.79Å; L238-H243 HydrophobicContact CB-CB 4.4Å; L238-H243 VanDerWaalsContact O-CB 3.32Å; L238-H243 WeakPolarHBondContact O-CB 3.41Å; L238-H243 PolarHBondContact O-CD2 3.13Å; L238-H243 PolarHBondContact O-N 3.37Å; L238-H243 VanDerWaalsContact O-N 3.15Å; L238-V245 HydrophobicContact CB-CG2 3.88Å; L238-V245 HydrophobicContact CD1-CG1 4.2Å; L238-V245 HydrophobicContact CD1-CG2 4.46Å
239L98Very high98.4Very high0 Ų028.6 Ų28.60%016%0.164CC..Hα-helixtrans-70.8-40179.9-68.9168.5000112.7R145 V146 L235 H236 G237 N241 G242 V245 L263R145-L239 HydrophobicContact CB-CD2 4Å; R145-L239 PolarHBondContact NH1-O 3.39Å; R145-L239 PolarHBondContact NH2-O 2.88Å; V146-L239 HydrophobicContact CG2-CD1 3.79Å; V146-L239 HydrophobicContact CG2-CD2 3.76Å; V146-L239 HydrophobicContact CG2-CG 4.38Å; L235-L239 HydrophobicContact CD1-CD1 4.06Å; L235-L239 HydrophobicContact CD1-CG 4.34Å; L235-L239 HydrophobicContact CG-CD1 4.1Å; L235-L239 VanDerWaalsContact O-CG 3.27Å; L235-L239 WeakPolarHBondContact O-CG 3.3Å; L235-L239 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-N 3.08Å; H236-L239 PolarHBondContact O-N 2.95Å; G237-L239 VanDerWaalsContact C-N 3.3Å; G237-L239 PolarHBondContact O-N 3.27Å; L239-N241 PolarHBondContact O-N 3.07Å; L239-G242 PolarHBondContact O-N 3.08Å; L239-V245 HydrophobicContact CD2-CG2 3.81Å; L239-V245 HydrophobicContact CG-CG2 4.16Å; L239-L263 HydrophobicContact CD1-CD1 4.37Å; L239-L263 HydrophobicContact CD1-CD2 3.52Å
240E96.9Very high98.4Very high63 Ų6329.3 Ų29.329%0.29417%0.168SC..Hα-helixtrans-64.9-31.5173.6-66-65.2127.900111.2H236 G237 G242 T309 S310H236-E240 IonicContact CD2-OE1 2.66Å; H236-E240 VanDerWaalsContact CE1-CG 3.48Å; H236-E240 WeakPolarHBondContact CE1-CG 3.29Å; H236-E240 VanDerWaalsContact NE2-CG 3.3Å; H236-E240 WeakPolarHBondContact NE2-CG 3.43Å; H236-E240 IonicContact NE2-OE1 3.29Å; H236-E240 PolarHBondContact NE2-OE1 3.42Å; H236-E240 WeakPolarHBondContact O-CG 3.34Å; H236-E240 PolarHBondContact O-N 2.89Å; G237-E240 PolarHBondContact O-N 3.17Å; E240-G242 PolarHBondContact O-N 3.24Å; E240-T309 VanDerWaalsContact OE1-CA 3.24Å; E240-T309 WeakPolarHBondContact OE1-CA 3.49Å; E240-T309 WeakPolarHBondContact OE1-CB 3.1Å; E240-T309 PolarHBondContact OE1-OG1 3.25Å; E240-S310 PolarHBondContact OE1-N 3.37Å; E240-S310 VanDerWaalsContact OE1-N 3.1Å; E240-S310 WeakPolarHBondContact OE2-CB 3.34Å; E240-S310 PolarHBondContact OE2-N 3.18Å; E240-S310 VanDerWaalsContact OE2-N 3.1Å; E240-S310 PolarHBondContact OE2-OG 3.49Å
241N97.1Very high98.3Very high121 Ų12126.6 Ų26.665%0.64716%0.157SC*.THydrogen-bonded Turntrans-80.814.6177.2-159.849.8000114.8G237 L238 L239 H243G237-N241 WeakPolarHBondContact O-CB 3.35Å; G237-N241 PolarHBondContact O-N 3.05Å; L238-N241 PolarHBondContact O-N 2.79Å; L239-N241 PolarHBondContact O-N 3.07Å; N241-H243 PolarHBondContact ND2-NE2 2.91Å; N241-H243 PolarHBondContact O-N 2.84Å
242G96.7Very high98.3Very high48 Ų4826.6 Ų26.650%0.49516%0.157SC..THydrogen-bonded Turntrans84-0173.800000116.3R145 L239 E240R145-G242 VanDerWaalsContact CZ-CA 3.47Å; R145-G242 VanDerWaalsContact CZ-O 3.31Å; R145-G242 PolarHBondContact NE-O 3.11Å; R145-G242 PolarHBondContact NH2-O 3.36Å; L239-G242 PolarHBondContact O-N 3.08Å; E240-G242 PolarHBondContact O-N 3.24Å
243H98.6Very high98.2Very high37 Ų3727 Ų2717%0.17116%0.16CC..  trans-69.4135.6178.4-66.6-71000116R145 T169 A170 L238 N241 V245R145-H243 VanDerWaalsContact CZ-O 3.26Å; R145-H243 PolarHBondContact NE-O 3.21Å; R145-H243 VanDerWaalsContact NH2-C 3.27Å; R145-H243 PolarHBondContact NH2-O 2.76Å; T169-H243 WeakPolarHBondContact OG1-CA 3.47Å; T169-H243 WeakPolarHBondContact OG1-CB 3.44Å; T169-H243 PolarHBondContact OG1-ND1 3.16Å; T169-H243 VanDerWaalsContact OG1-ND1 3.12Å; A170-H243 HydrophobicContact CB-CB 3.79Å; L238-H243 HydrophobicContact CB-CB 4.4Å; L238-H243 VanDerWaalsContact O-CB 3.32Å; L238-H243 WeakPolarHBondContact O-CB 3.41Å; L238-H243 PolarHBondContact O-CD2 3.13Å; L238-H243 PolarHBondContact O-N 3.37Å; L238-H243 VanDerWaalsContact O-N 3.15Å; N241-H243 PolarHBondContact ND2-NE2 2.91Å; N241-H243 PolarHBondContact O-N 2.84Å; H243-V245 HydrophobicContact CB-CG2 4Å
244T98.7Very high98.2Very high28 Ų2823.2 Ų23.217%0.17215%0.145CC..  trans-78.7118.8153.7-60.10000108.7F147 G167 V168 T169 A170F147-T244 HydrophobicContact CD2-CG2 3.93Å; F147-T244 HydrophobicContact CE2-CG2 3.66Å; G167-T244 WeakPolarHBondContact O-CB 3.42Å; V168-T244 HydrophobicContact CG2-CG2 4.49Å; T169-T244 PolarHBondContact N-O 3.38Å; T169-T244 PolarHBondContact OG1-N 3.38Å; T169-T244 PolarHBondContact OG1-O 2.95Å; A170-T244 PolarHBondContact N-O 2.94Å; A170-T244 VanDerWaalsContact N-O 3.13Å
245V98.9Very high98.2Very high0 Ų020.1 Ų20.10%013%0.128CC..EExtended strand (participates in β ladder)trans-107.2129.7-170.1-166.70000111.3R145 V146 F147 A170 M172 L235 L238 L239 H243 V247R145-V245 PolarHBondContact O-N 3.31Å; V146-V245 WeakPolarHBondContact CA-O 3.17Å; F147-V245 PolarHBondContact N-O 3.23Å; A170-V245 HydrophobicContact CB-CG1 4.49Å; A170-V245 HydrophobicContact CB-CG2 4.35Å; A170-V245 CarbonylContact O-C 3.44Å; A170-V245 VanDerWaalsContact O-CA 3.29Å; A170-V245 WeakPolarHBondContact O-CA 3.22Å; M172-V245 HydrophobicContact CG-CG1 4.03Å; L235-V245 HydrophobicContact CD1-CB 4.11Å; L235-V245 HydrophobicContact CD1-CG1 3.81Å; L235-V245 HydrophobicContact CD1-CG2 4.23Å; L238-V245 HydrophobicContact CB-CG2 3.88Å; L238-V245 HydrophobicContact CD1-CG1 4.2Å; L238-V245 HydrophobicContact CD1-CG2 4.46Å; L239-V245 HydrophobicContact CD2-CG2 3.81Å; L239-V245 HydrophobicContact CG-CG2 4.16Å; H243-V245 HydrophobicContact CB-CG2 4Å; V245-V247 HydrophobicContact CB-CG2 4.48Å; V245-V247 HydrophobicContact CG1-CG2 3.85Å
246Y98.9Very high98.2Very high0 Ų020.1 Ų20.10%013%0.128CC..EExtended strand (participates in β ladder)trans-98.8114.4166.6-171.8-103.4000109.8M137 F139 F147 G149 S150 L162 A170 V171 M172 H248M137-Y246 HydrophobicContact SD-CE1 4.36Å; F139-Y246 HydrophobicContact CB-CE2 3.68Å; F139-Y246 HydrophobicContact CG-CE2 4.17Å; F147-Y246 HydrophobicContact CB-CD2 3.56Å; F147-Y246 HydrophobicContact CB-CE2 4.16Å; G149-Y246 WeakPolarHBondContact CA-OH 3.45Å; S150-Y246 PolarHBondContact N-OH 2.9Å; S150-Y246 PolarHBondContact O-OH 3.13Å; L162-Y246 HydrophobicContact CD1-CD1 3.98Å; L162-Y246 HydrophobicContact CD1-CE1 4.38Å; L162-Y246 HydrophobicContact CD1-CG 4.33Å; L162-Y246 HydrophobicContact CD2-CD1 3.86Å; L162-Y246 HydrophobicContact CD2-CD2 3.5Å; L162-Y246 VanDerWaalsContact CD2-CD2 3.5Å; L162-Y246 HydrophobicContact CD2-CE1 4.05Å; L162-Y246 HydrophobicContact CD2-CE2 3.73Å; L162-Y246 HydrophobicContact CD2-CG 3.6Å; A170-Y246 PolarHBondContact O-N 3.43Å; V171-Y246 WeakPolarHBondContact CA-O 3.25Å; V171-Y246 HydrophobicContact CG1-CD1 4.42Å; M172-Y246 PolarHBondContact N-O 2.99Å; Y246-H248 HydrophobicContact CD1-CB 3.98Å; Y246-H248 AromaticContact CD1-CD2 3.7Å; Y246-H248 HydrophobicContact CE1-CB 3.48Å; Y246-H248 VanDerWaalsContact CE1-CB 3.48Å; Y246-H248 AromaticContact CE1-CD2 3.78Å; Y246-H248 AromaticContact CE1-CG 3.79Å
247V98.9Very high98.2Very high0 Ų019.4 Ų19.40%012%0.124CC..EExtended strand (participates in β ladder)trans-106.6116.9-176.2-168.90000108.6V146 F147 L148 G149 M172 F174 L235 V245 A259 V260V146-V247 HydrophobicContact CG1-CG2 3.98Å; F147-V247 PolarHBondContact O-N 2.93Å; L148-V247 WeakPolarHBondContact CA-O 3.42Å; G149-V247 PolarHBondContact N-O 2.76Å; M172-V247 HydrophobicContact CB-CG1 4.33Å; F174-V247 HydrophobicContact CD2-CG1 4.46Å; F174-V247 HydrophobicContact CE2-CG1 3.66Å; L235-V247 HydrophobicContact CD1-CG2 3.83Å; L235-V247 HydrophobicContact CD2-CG2 4.3Å; V245-V247 HydrophobicContact CB-CG2 4.48Å; V245-V247 HydrophobicContact CG1-CG2 3.85Å; V247-A259 HydrophobicContact CG1-CB 4.45Å; V247-V260 HydrophobicContact CB-CG2 4.09Å; V247-V260 HydrophobicContact CG1-CG2 4.06Å; V247-V260 HydrophobicContact CG2-CG2 4.27Å
248H98.9Very high98.3Very high0 Ų017.7 Ų17.70%011%0.107CC..EExtended strand (participates in β ladder)trans-143.8158.8-172.682.288.9000115.3G149 C151 M172 N173 F174 Q175 Y246 S256G149-H248 WeakPolarHBondContact O-CA 3.32Å; G149-H248 WeakPolarHBondContact O-CB 3.46Å; C151-H248 WeakPolarHBondContact CA-ND1 3.43Å; M172-H248 PolarHBondContact O-N 3.45Å; N173-H248 WeakPolarHBondContact CB-NE2 3.49Å; N173-H248 PolarHBondContact OD1-CE1 3.46Å; F174-H248 WeakPolarHBondContact CD2-O 3.5Å; F174-H248 PolarHBondContact N-O 2.88Å; Q175-H248 PolarHBondContact OE1-CE1 3.19Å; Y246-H248 HydrophobicContact CD1-CB 3.98Å; Y246-H248 AromaticContact CD1-CD2 3.7Å; Y246-H248 HydrophobicContact CE1-CB 3.48Å; Y246-H248 VanDerWaalsContact CE1-CB 3.48Å; Y246-H248 AromaticContact CE1-CD2 3.78Å; Y246-H248 AromaticContact CE1-CG 3.79Å; H248-S256 VanDerWaalsContact C-CB 3.41Å
249C98.4Very high98.3Very high2 Ų216.7 Ų16.71%0.01410%0.102CC..  trans-130.5-143.8164.464.30000108.1C151 F174 G252 R255 S256C151-C249 WeakPolarHBondContact CB-O 3.42Å; C151-C249 PolarHBondContact N-O 2.85Å; F174-C249 HydrophobicContact CB-CB 4.29Å; C249-G252 PolarHBondContact SG-N 3.37Å; C249-G252 VanDerWaalsContact SG-N 3.36Å; C249-R255 HydrophobicContact CB-CB 4.06Å; C249-S256 PolarHBondContact SG-OG 3.38Å; C249-S256 VanDerWaalsContact SG-OG 3.39Å
250N98.5Very high98.3Very high14 Ų1416.7 Ų16.78%0.07510%0.102CC..SBendtrans-66.3-56.2175.1-69.7-17.3000112.3Y128 S150 C151 R153 Q175 D179 R255Y128-N250 HydrophobicContact CE2-CB 4.12Å; S150-N250 WeakPolarHBondContact CA-O 3.49Å; S150-N250 VanDerWaalsContact CB-O 3.24Å; S150-N250 WeakPolarHBondContact CB-O 3.47Å; C151-N250 PolarHBondContact N-O 3.46Å; R153-N250 PolarHBondContact NH2-O 3.49Å; Q175-N250 WeakPolarHBondContact CG-OD1 3.44Å; Q175-N250 PolarHBondContact NE2-OD1 2.93Å; D179-N250 VanDerWaalsContact CB-OD1 3.29Å; D179-N250 WeakPolarHBondContact CB-OD1 3.4Å; D179-N250 VanDerWaalsContact CG-ND2 3.34Å; D179-N250 PolarHBondContact OD1-ND2 2.75Å; N250-R255 PolarHBondContact ND2-NH2 2.82Å; N250-R255 VanDerWaalsContact ND2-NH2 3.16Å
251A97.6Very high98.4Very high12 Ų1213.7 Ų13.710%0.0999%0.088CC..SBendtrans-109.3-10.7-172.500000113.3Y128 V253 R283Y128-A251 HydrophobicContact CD2-CB 3.78Å; Y128-A251 HydrophobicContact CG-CB 4.3Å; A251-V253 HydrophobicContact CB-CB 4.25Å; A251-V253 HydrophobicContact CB-CG2 3.66Å; A251-R283 PolarHBondContact O-NH2 3.16Å
252G97.9Very high98.5Very high0 Ų08 Ų80%06%0.057CC..SBendtrans67.736.1-170.900000113G149 C249 S256 R283G149-G252 VanDerWaalsContact C-CA 3.45Å; G149-G252 WeakPolarHBondContact O-CA 3.42Å; G149-G252 PolarHBondContact O-N 2.85Å; C249-G252 PolarHBondContact SG-N 3.37Å; C249-G252 VanDerWaalsContact SG-N 3.36Å; G252-S256 WeakPolarHBondContact CA-OG 3.15Å; G252-R283 PolarHBondContact O-NE 2.75Å
253V97.9Very high98.6Very high10 Ų105.7 Ų5.76%0.0613%0.034CC..SBendtrans-113.5-54.8-172.7172.70000112T124 F127 A251 T257 A285 Y287T124-V253 HydrophobicContact CG2-CB 4.43Å; T124-V253 HydrophobicContact CG2-CG1 3.81Å; T124-V253 HydrophobicContact CG2-CG2 4.37Å; F127-V253 HydrophobicContact CD1-CG2 4.25Å; F127-V253 HydrophobicContact CE1-CG2 4.22Å; A251-V253 HydrophobicContact CB-CB 4.25Å; A251-V253 HydrophobicContact CB-CG2 3.66Å; V253-T257 VanDerWaalsContact C-OG1 3.23Å; V253-T257 WeakPolarHBondContact O-CB 3.36Å; V253-T257 PolarHBondContact O-OG1 3.14Å; V253-A285 VanDerWaalsContact CG1-O 3.23Å; V253-A285 WeakPolarHBondContact CG1-O 3.37Å; V253-A285 VanDerWaalsContact CG2-O 3.3Å; V253-A285 WeakPolarHBondContact CG2-O 3.31Å; V253-Y287 PolarHBondContact O-N 3.25Å
254G97.9Very high98.5Very high6 Ų63.9 Ų3.96%0.0623%0.026CC..SBendtrans-100.6-84.2-175.500000114.1S256 T257 A258G254-S256 PolarHBondContact O-N 2.82Å; G254-T257 WeakPolarHBondContact O-CB 3.39Å; G254-T257 PolarHBondContact O-N 2.83Å; G254-T257 VanDerWaalsContact O-N 3.15Å; G254-A258 PolarHBondContact O-N 2.9Å
255R98.7Very high98.5Very high6 Ų63 Ų32%0.0232%0.02CC..Hα-helixtrans-53.4-51.9-170.6-67.7167.6-79173.5-3.8114.6F174 D179 T216 D218 C249 N250 T257 A258 A259F174-R255 HydrophobicContact CB-CB 3.8Å; F174-R255 HydrophobicContact CG-CB 4.34Å; F174-R255 PolarHBondContact O-NH1 3.49Å; D179-R255 IonicContact OD1-NH2 2.77Å; D179-R255 IonicContact OD2-CZ 3.29Å; D179-R255 IonicContact OD2-NH1 3.63Å; D179-R255 PolarHBondContact OD2-NH1 3.09Å; D179-R255 IonicContact OD2-NH2 2.69Å; D179-R255 PolarHBondContact OD2-NH2 3.15Å; T216-R255 HydrophobicContact CG2-CG 4.19Å; T216-R255 WeakPolarHBondContact O-CD 3.31Å; T216-R255 PolarHBondContact O-NH1 3.24Å; D218-R255 VanDerWaalsContact CG-NE 3.25Å; D218-R255 IonicContact OD1-NE 2.77Å; D218-R255 IonicContact OD2-CZ 3.29Å; D218-R255 VanDerWaalsContact OD2-CZ 3.25Å; D218-R255 IonicContact OD2-NE 3.55Å; D218-R255 PolarHBondContact OD2-NE 3.43Å; D218-R255 VanDerWaalsContact OD2-NE 3.15Å; D218-R255 IonicContact OD2-NH2 2.76Å; D218-R255 PolarHBondContact OD2-NH2 3.09Å; C249-R255 HydrophobicContact CB-CB 4.06Å; N250-R255 PolarHBondContact ND2-NH2 2.82Å; N250-R255 VanDerWaalsContact ND2-NH2 3.16Å; R255-T257 VanDerWaalsContact C-N 3.35Å; R255-A258 WeakPolarHBondContact O-CB 3.41Å; R255-A258 PolarHBondContact O-N 3.33Å; R255-A259 PolarHBondContact O-N 2.88Å
256S98.8Very high98.5Very high0 Ų03.9 Ų3.90%02%0.023CC..Hα-helixtrans-67.8-35.6179.653.50000112.7L148 H248 C249 G252 G254 A258 A259 V260L148-S256 VanDerWaalsContact CD1-OG 3.31Å; L148-S256 WeakPolarHBondContact CD1-OG 3.29Å; H248-S256 VanDerWaalsContact C-CB 3.41Å; C249-S256 PolarHBondContact SG-OG 3.38Å; C249-S256 VanDerWaalsContact SG-OG 3.39Å; G252-S256 WeakPolarHBondContact CA-OG 3.15Å; G254-S256 PolarHBondContact O-N 2.82Å; S256-A258 VanDerWaalsContact C-N 3.33Å; S256-A259 PolarHBondContact O-N 3.26Å; S256-V260 PolarHBondContact O-N 2.81Å
257T98.8Very high98.4Very high0 Ų04.7 Ų4.70%03%0.028CC..Hα-helixtrans-60.9-45.4173.5-55.80000110.3L148 V253 G254 R255 A259 V260 C261 V279 V286 I288L148-T257 HydrophobicContact CD2-CG2 4.45Å; V253-T257 VanDerWaalsContact C-OG1 3.23Å; V253-T257 WeakPolarHBondContact O-CB 3.36Å; V253-T257 PolarHBondContact O-OG1 3.14Å; G254-T257 WeakPolarHBondContact O-CB 3.39Å; G254-T257 PolarHBondContact O-N 2.83Å; G254-T257 VanDerWaalsContact O-N 3.15Å; R255-T257 VanDerWaalsContact C-N 3.35Å; T257-A259 VanDerWaalsContact C-N 3.29Å; T257-A259 PolarHBondContact O-N 3.48Å; T257-V260 PolarHBondContact O-N 3.06Å; T257-V260 VanDerWaalsContact O-N 3.11Å; T257-C261 WeakPolarHBondContact O-CB 3.23Å; T257-C261 PolarHBondContact O-N 3.31Å; T257-C261 PolarHBondContact O-SG 3.45Å; T257-C261 VanDerWaalsContact O-SG 3.35Å; T257-V279 HydrophobicContact CG2-CG1 4.31Å; T257-V286 HydrophobicContact CG2-CB 3.66Å; T257-V286 HydrophobicContact CG2-CG1 3.88Å; T257-V286 HydrophobicContact CG2-CG2 4.25Å; T257-V286 WeakPolarHBondContact OG1-CG1 3.39Å; T257-I288 HydrophobicContact CG2-CD1 3.92Å
258A98.8Very high98.2Very high2 Ų26.4 Ų6.42%0.0174%0.037CC..Hα-helixtrans-56.2-44178.600000111.3L228 G254 R255 S256 V260 C261 G262L228-A258 VanDerWaalsContact CD2-C 3.42Å; L228-A258 HydrophobicContact CD2-CB 3.9Å; L228-A258 WeakPolarHBondContact CD2-O 3.48Å; L228-A258 HydrophobicContact CG-CB 4.48Å; G254-A258 PolarHBondContact O-N 2.9Å; R255-A258 WeakPolarHBondContact O-CB 3.41Å; R255-A258 PolarHBondContact O-N 3.33Å; S256-A258 VanDerWaalsContact C-N 3.33Å; A258-V260 PolarHBondContact O-N 2.9Å; A258-C261 PolarHBondContact O-N 3.32Å; A258-G262 PolarHBondContact O-N 3.21Å
259A98.8Very high98.1Very high1 Ų19.4 Ų9.41%0.0087%0.068CC..Hα-helixtrans-62.7-41.4176.600000113.1F174 A231 V247 R255 S256 T257 G262 L263F174-A259 HydrophobicContact CE1-CB 4.32Å; F174-A259 HydrophobicContact CE2-CB 3.81Å; F174-A259 HydrophobicContact CZ-CB 3.48Å; F174-A259 VanDerWaalsContact CZ-CB 3.48Å; A231-A259 HydrophobicContact CB-CB 4.26Å; V247-A259 HydrophobicContact CG1-CB 4.45Å; R255-A259 PolarHBondContact O-N 2.88Å; S256-A259 PolarHBondContact O-N 3.26Å; T257-A259 VanDerWaalsContact C-N 3.29Å; T257-A259 PolarHBondContact O-N 3.48Å; A259-G262 PolarHBondContact O-N 2.83Å; A259-L263 PolarHBondContact O-N 3.43Å
260V98.8Very high98Very high0 Ų011.2 Ų11.20%08%0.075CC..Hα-helixtrans-66.4-43.5175.7176.30000111.2V142 V146 L148 V247 S256 T257 A258 G262 L263 L264V142-V260 HydrophobicContact CB-CG1 4.43Å; V142-V260 HydrophobicContact CG1-CG1 3.85Å; V146-V260 HydrophobicContact CG1-CG2 4.02Å; L148-V260 HydrophobicContact CD1-CG2 4.28Å; V247-V260 HydrophobicContact CB-CG2 4.09Å; V247-V260 HydrophobicContact CG1-CG2 4.06Å; V247-V260 HydrophobicContact CG2-CG2 4.27Å; S256-V260 PolarHBondContact O-N 2.81Å; T257-V260 PolarHBondContact O-N 3.06Å; T257-V260 VanDerWaalsContact O-N 3.11Å; A258-V260 PolarHBondContact O-N 2.9Å; V260-G262 VanDerWaalsContact C-N 3.35Å; V260-L263 WeakPolarHBondContact O-CB 3.47Å; V260-L263 PolarHBondContact O-N 3.25Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 3.4Å
261C98.8Very high98Very high1 Ų112.7 Ų12.71%0.0079%0.086CC..Hα-helixtrans-62.5-41.9175.4-70.30000111.8T257 A258 L263 L264 M265 V275 L293T257-C261 WeakPolarHBondContact O-CB 3.23Å; T257-C261 PolarHBondContact O-N 3.31Å; T257-C261 PolarHBondContact O-SG 3.45Å; T257-C261 VanDerWaalsContact O-SG 3.35Å; A258-C261 PolarHBondContact O-N 3.32Å; C261-L263 VanDerWaalsContact C-N 3.34Å; C261-L263 PolarHBondContact O-N 3.06Å; C261-L264 PolarHBondContact O-N 3.14Å; C261-L264 VanDerWaalsContact O-N 3.17Å; C261-M265 WeakPolarHBondContact O-CG 3.21Å; C261-M265 PolarHBondContact O-N 2.66Å; C261-V275 HydrophobicContact CB-CG1 3.71Å; C261-V275 VanDerWaalsContact SG-CG1 3.54Å; C261-L293 HydrophobicContact CB-CD1 3.64Å; C261-L293 HydrophobicContact CB-CD2 3.63Å; C261-L293 HydrophobicContact CB-CG 4.28Å
262G98.6Very high98Very high0 Ų015 Ų150%09%0.094CC..Hα-helixtrans-61.5-39175.800000112.4V232 A258 A259 V260 L264 M265 Y266V232-G262 VanDerWaalsContact CG2-C 3.47Å; A258-G262 PolarHBondContact O-N 3.21Å; A259-G262 PolarHBondContact O-N 2.83Å; V260-G262 VanDerWaalsContact C-N 3.35Å; G262-L264 PolarHBondContact O-N 2.94Å; G262-M265 PolarHBondContact O-N 3.07Å; G262-Y266 VanDerWaalsContact O-CB 3.26Å; G262-Y266 WeakPolarHBondContact O-CB 3.43Å; G262-Y266 VanDerWaalsContact O-CD2 3.29Å; G262-Y266 WeakPolarHBondContact O-CD2 3.09Å; G262-Y266 PolarHBondContact O-N 2.93Å
263L98.4Very high98Very high0 Ų015.4 Ų15.40%010%0.096CC..Iπ-helixtrans-58.7-48.5171.6177.374.4000111.4L143 V232 L235 H236 L239 A259 V260 C261 M265 V267 L268L143-L263 HydrophobicContact CD1-CD2 4.1Å; V232-L263 HydrophobicContact CG1-CB 4.48Å; L235-L263 HydrophobicContact CD2-CB 4.06Å; L235-L263 HydrophobicContact CD2-CD2 3.96Å; L235-L263 HydrophobicContact CD2-CG 4.49Å; L235-L263 HydrophobicContact CG-CD2 4.15Å; H236-L263 HydrophobicContact CB-CD1 4.03Å; L239-L263 HydrophobicContact CD1-CD1 4.37Å; L239-L263 HydrophobicContact CD1-CD2 3.52Å; A259-L263 PolarHBondContact O-N 3.43Å; V260-L263 WeakPolarHBondContact O-CB 3.47Å; V260-L263 PolarHBondContact O-N 3.25Å; C261-L263 VanDerWaalsContact C-N 3.34Å; C261-L263 PolarHBondContact O-N 3.06Å; L263-M265 PolarHBondContact O-N 3.06Å; L263-V267 HydrophobicContact CD1-CB 4.1Å; L263-V267 HydrophobicContact CD1-CG2 4.01Å; L263-V267 WeakPolarHBondContact O-CB 3.47Å; L263-V267 PolarHBondContact O-N 3.31Å; L263-V267 VanDerWaalsContact O-N 3.11Å; L263-L268 PolarHBondContact O-N 3.04Å
264L98.2Very high98Very high0 Ų016.6 Ų16.60%010%0.1CC..Iπ-helixtrans-64.2-40.5-179.8-61.7174.5000111.9L143 V260 C261 G262 L268 G269 W270 V275 F278 V279L143-L264 HydrophobicContact CD1-CD2 3.96Å; L143-L264 HydrophobicContact CD2-CD2 4.22Å; L143-L264 HydrophobicContact CG-CD2 4.48Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 3.4Å; C261-L264 PolarHBondContact O-N 3.14Å; C261-L264 VanDerWaalsContact O-N 3.17Å; G262-L264 PolarHBondContact O-N 2.94Å; L264-L268 HydrophobicContact CD2-CD1 3.69Å; L264-L268 CarbonylContact O-C 3.6Å; L264-L268 WeakPolarHBondContact O-CB 3.38Å; L264-L268 PolarHBondContact O-N 3.22Å; L264-G269 PolarHBondContact O-N 3.27Å; L264-W270 HydrophobicContact CB-CE3 4.19Å; L264-W270 HydrophobicContact CD1-CE3 4.3Å; L264-W270 HydrophobicContact CD1-CZ3 4.25Å; L264-W270 HydrophobicContact CD2-CE3 4.16Å; L264-W270 HydrophobicContact CD2-CH2 4.37Å; L264-W270 HydrophobicContact CD2-CZ3 4.01Å; L264-W270 HydrophobicContact CG-CE3 4.45Å; L264-W270 WeakPolarHBondContact O-CB 3.36Å; L264-W270 PolarHBondContact O-N 3.25Å; L264-V275 HydrophobicContact CB-CG2 3.57Å; L264-V275 HydrophobicContact CD1-CG1 4.14Å; L264-V275 HydrophobicContact CD1-CG2 4.24Å; L264-F278 HydrophobicContact CD1-CD1 3.89Å; L264-F278 HydrophobicContact CD1-CE1 4.21Å; L264-V279 HydrophobicContact CD1-CG2 3.6Å
265M98.1Very high98Very high10 Ų1016.4 Ų16.45%0.04910%0.097CC..Iπ-helixtrans-75.8-52.9-179.5-68.7-178.357.600112.4C261 G262 L263 G269 K272 V275 L293C261-M265 WeakPolarHBondContact O-CG 3.21Å; C261-M265 PolarHBondContact O-N 2.66Å; G262-M265 PolarHBondContact O-N 3.07Å; L263-M265 PolarHBondContact O-N 3.06Å; M265-G269 VanDerWaalsContact O-CA 3.25Å; M265-G269 WeakPolarHBondContact O-CA 3.21Å; M265-G269 PolarHBondContact O-N 3.47Å; M265-K272 HydrophobicContact CE-CB 4.31Å; M265-V275 HydrophobicContact CG-CB 4.37Å; M265-V275 HydrophobicContact CG-CG2 3.71Å; M265-L293 HydrophobicContact CE-CB 4.23Å; M265-L293 HydrophobicContact SD-CB 3.8Å; M265-L293 HydrophobicContact SD-CD1 3.98Å; M265-L293 HydrophobicContact SD-CD2 4.12Å; M265-L293 HydrophobicContact SD-CG 4.19Å
266Y98.3Very high98Very high17 Ų1717 Ų177%0.06710%0.101CC..Iπ-helixtrans-85.7-28.8-166-45.6-25.3000112.8V232 G262 L293 Q297 F300V232-Y266 HydrophobicContact CB-CD2 4.25Å; V232-Y266 HydrophobicContact CG1-CD2 4.13Å; V232-Y266 HydrophobicContact CG2-CD2 3.89Å; V232-Y266 HydrophobicContact CG2-CE2 4.05Å; G262-Y266 VanDerWaalsContact O-CB 3.26Å; G262-Y266 WeakPolarHBondContact O-CB 3.43Å; G262-Y266 VanDerWaalsContact O-CD2 3.29Å; G262-Y266 WeakPolarHBondContact O-CD2 3.09Å; G262-Y266 PolarHBondContact O-N 2.93Å; Y266-L293 VanDerWaalsContact CE1-O 3.3Å; Y266-L293 WeakPolarHBondContact CE1-O 3.29Å; Y266-L293 VanDerWaalsContact OH-C 3.32Å; Y266-L293 VanDerWaalsContact OH-CA 3.28Å; Y266-L293 WeakPolarHBondContact OH-CA 3.34Å; Y266-L293 PolarHBondContact OH-O 3.28Å; Y266-Q297 HydrophobicContact CD1-CB 4.01Å; Y266-Q297 HydrophobicContact CD1-CG 3.75Å; Y266-Q297 HydrophobicContact CE1-CB 3.66Å; Y266-Q297 HydrophobicContact CE1-CG 3.92Å; Y266-F300 HydrophobicContact CD2-CB 3.99Å; Y266-F300 HydrophobicContact CD2-CD1 4.26Å; Y266-F300 HydrophobicContact CD2-CD2 4.09Å; Y266-F300 AromaticContact CD2-CG 3.84Å; Y266-F300 HydrophobicContact CD2-CG 3.84Å; Y266-F300 HydrophobicContact CE2-CB 4.5Å; Y266-F300 HydrophobicContact CG-CB 4.44Å; Y266-F300 HydrophobicContact CG-CD1 4.18Å; Y266-F300 HydrophobicContact CG-CG 4.21Å
267V97.1Very high98Very high17 Ų1718 Ų1810%0.10310%0.104CC..Iπ-helixtrans-103.1-45.2-179-1760000111.3V232 H236 L263 F300 L307V232-V267 HydrophobicContact CG1-CG2 3.82Å; H236-V267 HydrophobicContact CB-CG2 4.4Å; L263-V267 HydrophobicContact CD1-CB 4.1Å; L263-V267 HydrophobicContact CD1-CG2 4.01Å; L263-V267 WeakPolarHBondContact O-CB 3.47Å; L263-V267 PolarHBondContact O-N 3.31Å; L263-V267 VanDerWaalsContact O-N 3.11Å; V267-F300 HydrophobicContact CG2-CE1 4.37Å; V267-F300 HydrophobicContact CG2-CZ 3.86Å; V267-L307 HydrophobicContact CG1-CB 4.36Å; V267-L307 HydrophobicContact CG2-CD1 4.47Å
268L95.2Very high98Very high36 Ų3618.6 Ų18.619%0.18811%0.107CC..THydrogen-bonded Turntrans-87.2-5.9179.2-50.6-171.5000113.6L263 L264 W270 T309 Y313L263-L268 PolarHBondContact O-N 3.04Å; L264-L268 HydrophobicContact CD2-CD1 3.69Å; L264-L268 CarbonylContact O-C 3.6Å; L264-L268 WeakPolarHBondContact O-CB 3.38Å; L264-L268 PolarHBondContact O-N 3.22Å; L268-W270 VanDerWaalsContact C-N 3.26Å; L268-W270 HydrophobicContact CB-CG 4.4Å; L268-W270 VanDerWaalsContact O-CD1 3.25Å; L268-W270 PolarHBondContact O-N 3.44Å; L268-T309 HydrophobicContact CD2-CG2 3.77Å; L268-Y313 HydrophobicContact CD1-CD2 3.76Å; L268-Y313 HydrophobicContact CD1-CE2 4.17Å; L268-Y313 HydrophobicContact CD1-CG 4.03Å; L268-Y313 HydrophobicContact CD2-CD2 3.6Å; L268-Y313 HydrophobicContact CD2-CE2 3.58Å; L268-Y313 HydrophobicContact CG-CD2 4.36Å; L268-Y313 HydrophobicContact CG-CE2 4.47Å
269G95.6Very high98Very high64 Ų6418.5 Ų18.566%0.6611%0.106SC*.  trans68.821.9175.800000113.9L264 M265L264-G269 PolarHBondContact O-N 3.27Å; M265-G269 VanDerWaalsContact O-CA 3.25Å; M265-G269 WeakPolarHBondContact O-CA 3.21Å; M265-G269 PolarHBondContact O-N 3.47Å
270W97.2Very high97.9Very high39 Ų3918.6 Ų18.615%0.14811%0.107CC..  trans-75.5143.5-179.3-69.811.9000111.3L264 L268 K274 V275 F278L264-W270 HydrophobicContact CB-CE3 4.19Å; L264-W270 HydrophobicContact CD1-CE3 4.3Å; L264-W270 HydrophobicContact CD1-CZ3 4.25Å; L264-W270 HydrophobicContact CD2-CE3 4.16Å; L264-W270 HydrophobicContact CD2-CH2 4.37Å; L264-W270 HydrophobicContact CD2-CZ3 4.01Å; L264-W270 HydrophobicContact CG-CE3 4.45Å; L264-W270 WeakPolarHBondContact O-CB 3.36Å; L264-W270 PolarHBondContact O-N 3.25Å; L268-W270 VanDerWaalsContact C-N 3.26Å; L268-W270 HydrophobicContact CB-CG 4.4Å; L268-W270 VanDerWaalsContact O-CD1 3.25Å; L268-W270 PolarHBondContact O-N 3.44Å; W270-K274 HydrophobicContact CB-CB 4.41Å; W270-K274 HydrophobicContact CB-CD 4.26Å; W270-K274 HydrophobicContact CB-CG 4.44Å; W270-K274 HydrophobicContact CD2-CD 3.9Å; W270-K274 HydrophobicContact CD2-CG 4.11Å; W270-K274 HydrophobicContact CE3-CD 4.19Å; W270-K274 HydrophobicContact CE3-CG 3.89Å; W270-K274 HydrophobicContact CG-CD 3.93Å; W270-K274 HydrophobicContact CG-CG 4.37Å; W270-V275 HydrophobicContact CB-CG2 3.73Å; W270-V275 HydrophobicContact CE3-CG2 4.18Å; W270-F278 HydrophobicContact CE3-CB 4.49Å; W270-F278 HydrophobicContact CE3-CG 4.47Å; W270-F278 HydrophobicContact CH2-CD1 4.43Å; W270-F278 AromaticContact CH2-CD2 3.58Å; W270-F278 HydrophobicContact CH2-CD2 3.58Å; W270-F278 HydrophobicContact CH2-CE1 4.43Å; W270-F278 AromaticContact CH2-CE2 3.57Å; W270-F278 HydrophobicContact CH2-CE2 3.57Å; W270-F278 HydrophobicContact CH2-CG 4.04Å; W270-F278 HydrophobicContact CH2-CZ 4.04Å; W270-F278 HydrophobicContact CZ3-CB 3.81Å; W270-F278 AromaticContact CZ3-CD1 3.79Å; W270-F278 HydrophobicContact CZ3-CD1 3.79Å; W270-F278 AromaticContact CZ3-CD2 3.44Å; W270-F278 HydrophobicContact CZ3-CD2 3.44Å; W270-F278 VanDerWaalsContact CZ3-CD2 3.44Å; W270-F278 HydrophobicContact CZ3-CE1 4.19Å; W270-F278 AromaticContact CZ3-CE2 3.85Å; W270-F278 HydrophobicContact CZ3-CE2 3.85Å; W270-F278 AromaticContact CZ3-CG 3.42Å; W270-F278 HydrophobicContact CZ3-CG 3.42Å; W270-F278 VanDerWaalsContact CZ3-CG 3.42Å; W270-F278 HydrophobicContact CZ3-CZ 4.22Å
271S97.7Very high97.8Very high46 Ų4619.8 Ų19.832%0.32212%0.116SC..  trans-65.4151.2171.371.60000110.5R273 K274 V275S271-R273 PolarHBondContact O-N 3.01Å; S271-K274 WeakPolarHBondContact O-CB 3.33Å; S271-K274 PolarHBondContact O-N 3.39Å; S271-K274 WeakPolarHBondContact OG-CB 3.49Å; S271-K274 PolarHBondContact OG-N 3.05Å; S271-V275 PolarHBondContact O-N 2.98Å
272K97.7Very high97.7Very high59 Ų5923 Ų2326%0.25713%0.128SC..Hα-helixtrans-48.4-44.3174-179-173.875.4169.50112.2M265 V275 Q276 E290M265-K272 HydrophobicContact CE-CB 4.31Å; K272-V275 PolarHBondContact O-N 2.97Å; K272-Q276 PolarHBondContact O-N 2.91Å; K272-E290 HydrophobicContact CD-CB 3.86Å; K272-E290 VanDerWaalsContact CD-CD 3.43Å; K272-E290 HydrophobicContact CD-CG 3.67Å; K272-E290 WeakPolarHBondContact CD-OE2 3.41Å; K272-E290 VanDerWaalsContact CE-CD 3.47Å; K272-E290 WeakPolarHBondContact CE-OE2 3.31Å; K272-E290 HydrophobicContact CG-CG 4.04Å; K272-E290 IonicContact NZ-OE2 2.79Å; K272-E290 PolarHBondContact NZ-OE2 2.94Å
273R98.4Very high97.6Very high10 Ų1023.1 Ų23.14%0.03813%0.129CC..Hα-helixtrans-66.2-41.5-179.8-171.659.661.2-135.6-8.5112.3N98 V100 C105 P107 S271 V275 Q276 Y277 E290N98-R273 HydrophobicContact CB-CG 4.46Å; N98-R273 VanDerWaalsContact OD1-CZ 3.29Å; N98-R273 PolarHBondContact OD1-NE 3.27Å; N98-R273 PolarHBondContact OD1-NH2 3.41Å; V100-R273 HydrophobicContact CG2-CB 3.94Å; V100-R273 HydrophobicContact CG2-CG 3.87Å; C105-R273 HydrophobicContact CB-CG 3.52Å; C105-R273 WeakPolarHBondContact O-CD 3.18Å; C105-R273 WeakPolarHBondContact O-CG 3.39Å; C105-R273 PolarHBondContact O-NE 3.27Å; P107-R273 VanDerWaalsContact CA-CZ 3.48Å; S271-R273 PolarHBondContact O-N 3.01Å; R273-V275 VanDerWaalsContact C-N 3.31Å; R273-V275 PolarHBondContact O-N 3.32Å; R273-Q276 PolarHBondContact O-N 2.79Å; R273-Y277 HydrophobicContact CG-CD2 4.24Å; R273-Y277 HydrophobicContact CG-CE2 4.39Å; R273-Y277 PolarHBondContact O-N 2.87Å; R273-Y277 VanDerWaalsContact O-N 3.14Å; R273-E290 IonicContact NH1-OE1 3.59Å; R273-E290 PolarHBondContact NH1-OE1 3.01Å; R273-E290 IonicContact NH2-OE1 3.15Å
274K98.5Very high97.5Very high35 Ų3523.4 Ų23.415%0.15213%0.131CC..Hα-helixtrans-60.3-43.6174.3-173.8168.5-175.61540111V100 D101 W270 S271 F278V100-K274 HydrophobicContact CG1-CB 3.73Å; V100-K274 HydrophobicContact CG1-CD 3.94Å; V100-K274 HydrophobicContact CG1-CG 3.74Å; V100-K274 HydrophobicContact CG2-CB 4.07Å; D101-K274 IonicContact OD1-NZ 2.66Å; D101-K274 PolarHBondContact OD1-NZ 2.89Å; D101-K274 WeakPolarHBondContact OD2-CE 3.47Å; D101-K274 IonicContact OD2-NZ 3.04Å; D101-K274 PolarHBondContact OD2-NZ 2.71Å; W270-K274 HydrophobicContact CB-CB 4.41Å; W270-K274 HydrophobicContact CB-CD 4.26Å; W270-K274 HydrophobicContact CB-CG 4.44Å; W270-K274 HydrophobicContact CD2-CD 3.9Å; W270-K274 HydrophobicContact CD2-CG 4.11Å; W270-K274 HydrophobicContact CE3-CD 4.19Å; W270-K274 HydrophobicContact CE3-CG 3.89Å; W270-K274 HydrophobicContact CG-CD 3.93Å; W270-K274 HydrophobicContact CG-CG 4.37Å; S271-K274 WeakPolarHBondContact O-CB 3.33Å; S271-K274 PolarHBondContact O-N 3.39Å; S271-K274 WeakPolarHBondContact OG-CB 3.49Å; S271-K274 PolarHBondContact OG-N 3.05Å; K274-F278 WeakPolarHBondContact O-CB 3.48Å; K274-F278 PolarHBondContact O-N 3.47Å
275V98.5Very high97.4Very high1 Ų124 Ų241%0.00614%0.136CC..Hα-helixtrans-63-46176.8171.80000111.9C261 L264 M265 W270 S271 K272 R273 Y277 F278 V279C261-V275 HydrophobicContact CB-CG1 3.71Å; C261-V275 VanDerWaalsContact SG-CG1 3.54Å; L264-V275 HydrophobicContact CB-CG2 3.57Å; L264-V275 HydrophobicContact CD1-CG1 4.14Å; L264-V275 HydrophobicContact CD1-CG2 4.24Å; M265-V275 HydrophobicContact CG-CB 4.37Å; M265-V275 HydrophobicContact CG-CG2 3.71Å; W270-V275 HydrophobicContact CB-CG2 3.73Å; W270-V275 HydrophobicContact CE3-CG2 4.18Å; S271-V275 PolarHBondContact O-N 2.98Å; K272-V275 PolarHBondContact O-N 2.97Å; R273-V275 VanDerWaalsContact C-N 3.31Å; R273-V275 PolarHBondContact O-N 3.32Å; V275-Y277 PolarHBondContact O-N 3.23Å; V275-F278 PolarHBondContact O-N 2.71Å; V275-V279 HydrophobicContact CG1-CG2 4.12Å; V275-V279 WeakPolarHBondContact O-CG2 3.38Å; V275-V279 PolarHBondContact O-N 3.37Å
276Q98.6Very high97.4Very high20 Ų2023.8 Ų23.89%0.09314%0.135CC..Hα-helixtrans-55.4-54.1178-164.5-160.642.800110.7I108 K272 R273 F278 T280 I288I108-Q276 HydrophobicContact CD1-CG 4.26Å; K272-Q276 PolarHBondContact O-N 2.91Å; R273-Q276 PolarHBondContact O-N 2.79Å; Q276-F278 PolarHBondContact O-N 2.68Å; Q276-T280 WeakPolarHBondContact O-CB 3.33Å; Q276-T280 PolarHBondContact O-N 2.99Å; Q276-T280 PolarHBondContact O-OG1 2.86Å; Q276-I288 HydrophobicContact CG-CB 4.49Å; Q276-I288 HydrophobicContact CG-CG1 4.07Å
277Y98.6Very high97.3Very high20 Ų2027.8 Ų27.88%0.07815%0.151CC..Hα-helixtrans-62.7-42.6179.2-88.5-93.9000113R4 G6 I54 C105 H106 I108 R273 V275 A281R4-Y277 HydrophobicContact CG-CD1 4.33Å; R4-Y277 HydrophobicContact CG-CE1 3.56Å; R4-Y277 PolarHBondContact O-OH 3.34Å; G6-Y277 PolarHBondContact N-OH 3.43Å; I54-Y277 HydrophobicContact CG2-CD1 4.44Å; I54-Y277 HydrophobicContact CG2-CE1 4.11Å; C105-Y277 HydrophobicContact CB-CD2 4Å; C105-Y277 HydrophobicContact CB-CE2 3.65Å; H106-Y277 VanDerWaalsContact O-CE2 3.27Å; H106-Y277 WeakPolarHBondContact O-CE2 3.42Å; H106-Y277 PolarHBondContact O-OH 3.07Å; I108-Y277 HydrophobicContact CD1-CD1 3.91Å; I108-Y277 HydrophobicContact CD1-CD2 3.97Å; I108-Y277 HydrophobicContact CD1-CE1 4.05Å; I108-Y277 HydrophobicContact CD1-CE2 4.09Å; I108-Y277 HydrophobicContact CD1-CG 3.88Å; I108-Y277 HydrophobicContact CG1-CD1 4.26Å; I108-Y277 HydrophobicContact CG1-CD2 4.02Å; I108-Y277 HydrophobicContact CG1-CE1 3.9Å; I108-Y277 HydrophobicContact CG1-CE2 3.62Å; I108-Y277 HydrophobicContact CG1-CG 4.33Å; R273-Y277 HydrophobicContact CG-CD2 4.24Å; R273-Y277 HydrophobicContact CG-CE2 4.39Å; R273-Y277 PolarHBondContact O-N 2.87Å; R273-Y277 VanDerWaalsContact O-N 3.14Å; V275-Y277 PolarHBondContact O-N 3.23Å; Y277-A281 WeakPolarHBondContact O-CB 3.48Å; Y277-A281 PolarHBondContact O-N 2.81Å; Y277-A281 VanDerWaalsContact O-N 3.09Å
278F98.2Very high97.4Very high13 Ų1328 Ų286%0.05715%0.151CC..Hα-helixtrans-65.8-46.7-176.3178.1-88.6000113.1V142 L143 L264 W270 K274 V275 Q276 R282 T316V142-F278 HydrophobicContact CG1-CD1 4.39Å; V142-F278 HydrophobicContact CG1-CE1 3.77Å; V142-F278 WeakPolarHBondContact O-CE1 3.39Å; V142-F278 WeakPolarHBondContact O-CZ 3.37Å; L143-F278 HydrophobicContact CD2-CE1 4.03Å; L143-F278 HydrophobicContact CD2-CZ 3.69Å; L264-F278 HydrophobicContact CD1-CD1 3.89Å; L264-F278 HydrophobicContact CD1-CE1 4.21Å; W270-F278 HydrophobicContact CE3-CB 4.49Å; W270-F278 HydrophobicContact CE3-CG 4.47Å; W270-F278 HydrophobicContact CH2-CD1 4.43Å; W270-F278 AromaticContact CH2-CD2 3.58Å; W270-F278 HydrophobicContact CH2-CD2 3.58Å; W270-F278 HydrophobicContact CH2-CE1 4.43Å; W270-F278 AromaticContact CH2-CE2 3.57Å; W270-F278 HydrophobicContact CH2-CE2 3.57Å; W270-F278 HydrophobicContact CH2-CG 4.04Å; W270-F278 HydrophobicContact CH2-CZ 4.04Å; W270-F278 HydrophobicContact CZ3-CB 3.81Å; W270-F278 AromaticContact CZ3-CD1 3.79Å; W270-F278 HydrophobicContact CZ3-CD1 3.79Å; W270-F278 AromaticContact CZ3-CD2 3.44Å; W270-F278 HydrophobicContact CZ3-CD2 3.44Å; W270-F278 VanDerWaalsContact CZ3-CD2 3.44Å; W270-F278 HydrophobicContact CZ3-CE1 4.19Å; W270-F278 AromaticContact CZ3-CE2 3.85Å; W270-F278 HydrophobicContact CZ3-CE2 3.85Å; W270-F278 AromaticContact CZ3-CG 3.42Å; W270-F278 HydrophobicContact CZ3-CG 3.42Å; W270-F278 VanDerWaalsContact CZ3-CG 3.42Å; W270-F278 HydrophobicContact CZ3-CZ 4.22Å; K274-F278 WeakPolarHBondContact O-CB 3.48Å; K274-F278 PolarHBondContact O-N 3.47Å; V275-F278 PolarHBondContact O-N 2.71Å; Q276-F278 PolarHBondContact O-N 2.68Å; F278-R282 VanDerWaalsContact CE2-NH1 3.25Å; F278-R282 WeakPolarHBondContact O-CD 3.4Å; F278-R282 PolarHBondContact O-NH1 3.4Å; F278-T316 HydrophobicContact CD2-CG2 3.53Å; F278-T316 HydrophobicContact CE2-CG2 3.32Å
279V98.2Very high97.5Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-75.8-44.6-176-178.10000109.9V142 L148 T257 L264 V275 A281 R282 R283 V286 I288V142-V279 HydrophobicContact CG1-CG2 4.48Å; L148-V279 HydrophobicContact CD2-CG1 4.33Å; T257-V279 HydrophobicContact CG2-CG1 4.31Å; L264-V279 HydrophobicContact CD1-CG2 3.6Å; V275-V279 HydrophobicContact CG1-CG2 4.12Å; V275-V279 WeakPolarHBondContact O-CG2 3.38Å; V275-V279 PolarHBondContact O-N 3.37Å; V279-A281 VanDerWaalsContact C-N 3.33Å; V279-A281 PolarHBondContact O-N 2.95Å; V279-R282 CarbonylContact O-C 3.45Å; V279-R282 WeakPolarHBondContact O-CA 3.46Å; V279-R282 PolarHBondContact O-N 2.83Å; V279-R283 PolarHBondContact O-N 2.98Å; V279-V286 HydrophobicContact CG1-CG1 4.23Å; V279-V286 HydrophobicContact CG1-CG2 4.09Å; V279-I288 HydrophobicContact CB-CD1 4.38Å; V279-I288 HydrophobicContact CG1-CD1 4.44Å
280T98Very high97.6Very high3 Ų325.9 Ų25.92%0.01812%0.123CC..Hα-helixtrans-63.9-36.3179.8-570000112.1I8 L52 I108 Q276 R282 R283 A284I8-T280 HydrophobicContact CD1-CG2 3.52Å; I8-T280 HydrophobicContact CG1-CG2 3.9Å; L52-T280 HydrophobicContact CB-CG2 4.07Å; L52-T280 HydrophobicContact CD1-CG2 4.43Å; L52-T280 HydrophobicContact CD2-CG2 3.82Å; L52-T280 HydrophobicContact CG-CG2 4.33Å; I108-T280 HydrophobicContact CD1-CG2 4.15Å; Q276-T280 WeakPolarHBondContact O-CB 3.33Å; Q276-T280 PolarHBondContact O-N 2.99Å; Q276-T280 PolarHBondContact O-OG1 2.86Å; T280-R282 PolarHBondContact O-N 3.13Å; T280-R283 CarbonylContact O-C 3.52Å; T280-R283 VanDerWaalsContact O-C 3.24Å; T280-R283 PolarHBondContact O-N 2.8Å; T280-A284 HydrophobicContact CG2-CB 4.28Å; T280-A284 WeakPolarHBondContact O-CA 3.4Å; T280-A284 PolarHBondContact O-N 3.03Å; T280-A284 VanDerWaalsContact O-N 3.12Å
281A96.9Very high97.7Very high24 Ų2429.6 Ų29.620%0.19814%0.142CC..THydrogen-bonded Turntrans-63.7-19.8173.700000113.7T41 Q42 L52 Y277 V279T41-A281 HydrophobicContact CG2-CB 3.95Å; Q42-A281 WeakPolarHBondContact CG-O 3.39Å; Q42-A281 PolarHBondContact NE2-O 2.79Å; L52-A281 HydrophobicContact CD2-CB 4.17Å; Y277-A281 WeakPolarHBondContact O-CB 3.48Å; Y277-A281 PolarHBondContact O-N 2.81Å; Y277-A281 VanDerWaalsContact O-N 3.09Å; V279-A281 VanDerWaalsContact C-N 3.33Å; V279-A281 PolarHBondContact O-N 2.95Å
282R96Very high97.7Very high68 Ų6827.4 Ų27.426%0.25713%0.127SC..THydrogen-bonded Turntrans-99.2-23177.9-72.3166173.269.34.5113Q42 N140 V142 F278 V279 T280Q42-R282 VanDerWaalsContact NE2-CA 3.28Å; Q42-R282 PolarHBondContact NE2-O 3.2Å; N140-R282 WeakPolarHBondContact CB-O 3.47Å; N140-R282 PolarHBondContact ND2-O 2.86Å; N140-R282 VanDerWaalsContact ND2-O 3.11Å; V142-R282 VanDerWaalsContact O-CD 3.24Å; V142-R282 WeakPolarHBondContact O-CD 3.18Å; V142-R282 PolarHBondContact O-NE 2.86Å; V142-R282 VanDerWaalsContact O-NE 3.07Å; F278-R282 VanDerWaalsContact CE2-NH1 3.25Å; F278-R282 WeakPolarHBondContact O-CD 3.4Å; F278-R282 PolarHBondContact O-NH1 3.4Å; V279-R282 CarbonylContact O-C 3.45Å; V279-R282 WeakPolarHBondContact O-CA 3.46Å; V279-R282 PolarHBondContact O-N 2.83Å; T280-R282 PolarHBondContact O-N 3.13Å
283R96.3Very high97.7Very high4 Ų424.7 Ų24.72%0.01512%0.115CC..  trans-158.592.9178.8-175.3175.3177.8671.2108.4H138 N140 A251 G252 V279 T280 A285 V286H138-R283 PolarHBondContact CE1-NH1 2.86Å; H138-R283 PolarHBondContact ND1-NH1 3.12Å; N140-R283 HydrophobicContact CB-CB 4.19Å; N140-R283 WeakPolarHBondContact OD1-CG 3.34Å; N140-R283 PolarHBondContact OD1-NH1 2.97Å; A251-R283 PolarHBondContact O-NH2 3.16Å; G252-R283 PolarHBondContact O-NE 2.75Å; V279-R283 PolarHBondContact O-N 2.98Å; T280-R283 CarbonylContact O-C 3.52Å; T280-R283 VanDerWaalsContact O-C 3.24Å; T280-R283 PolarHBondContact O-N 2.8Å; R283-A285 PolarHBondContact O-N 3.5Å; R283-V286 HydrophobicContact CB-CG1 3.89Å; R283-V286 HydrophobicContact CG-CG1 3.69Å; R283-V286 WeakPolarHBondContact O-CG1 3.41Å; R283-V286 VanDerWaalsContact O-CG2 3.25Å; R283-V286 WeakPolarHBondContact O-CG2 3.47Å; R283-V286 PolarHBondContact O-N 3.07Å
284A96.2Very high97.7Very high5 Ų527.8 Ų27.84%0.04114%0.135CC..THydrogen-bonded Turntrans-70.5-15.1-17500000113.6I8 P50 L52 T280 V286I8-A284 HydrophobicContact CG2-CB 4.44Å; P50-A284 HydrophobicContact CB-CB 4.49Å; P50-A284 WeakPolarHBondContact O-CB 3.39Å; L52-A284 HydrophobicContact CB-CB 4.21Å; T280-A284 HydrophobicContact CG2-CB 4.28Å; T280-A284 WeakPolarHBondContact O-CA 3.4Å; T280-A284 PolarHBondContact O-N 3.03Å; T280-A284 VanDerWaalsContact O-N 3.12Å; A284-V286 PolarHBondContact O-N 3.43Å
285A95.9Very high97.7Very high12 Ų1230.4 Ų30.410%0.09915%0.151CC..THydrogen-bonded Turntrans-73.8-4.1176.300000114.3P50 F127 V253 R283P50-A285 HydrophobicContact CG-CB 3.67Å; F127-A285 HydrophobicContact CD1-CB 4Å; F127-A285 HydrophobicContact CD2-CB 4.29Å; F127-A285 HydrophobicContact CE1-CB 3.91Å; F127-A285 HydrophobicContact CE2-CB 4.21Å; F127-A285 HydrophobicContact CG-CB 4.2Å; F127-A285 HydrophobicContact CZ-CB 4.02Å; V253-A285 VanDerWaalsContact CG1-O 3.23Å; V253-A285 WeakPolarHBondContact CG1-O 3.37Å; V253-A285 VanDerWaalsContact CG2-O 3.3Å; V253-A285 WeakPolarHBondContact CG2-O 3.31Å; R283-A285 PolarHBondContact O-N 3.5Å
286V97.6Very high97.7Very high7 Ų730.4 Ų30.44%0.04215%0.151CC..  trans-73.3149.2-177.7-62.70000112.7L148 T257 V279 R283 A284 I288L148-V286 HydrophobicContact CD2-CG1 3.91Å; T257-V286 HydrophobicContact CG2-CB 3.66Å; T257-V286 HydrophobicContact CG2-CG1 3.88Å; T257-V286 HydrophobicContact CG2-CG2 4.25Å; T257-V286 WeakPolarHBondContact OG1-CG1 3.39Å; V279-V286 HydrophobicContact CG1-CG1 4.23Å; V279-V286 HydrophobicContact CG1-CG2 4.09Å; R283-V286 HydrophobicContact CB-CG1 3.89Å; R283-V286 HydrophobicContact CG-CG1 3.69Å; R283-V286 WeakPolarHBondContact O-CG1 3.41Å; R283-V286 VanDerWaalsContact O-CG2 3.25Å; R283-V286 WeakPolarHBondContact O-CG2 3.47Å; R283-V286 PolarHBondContact O-N 3.07Å; A284-V286 PolarHBondContact O-N 3.43Å; V286-I288 HydrophobicContact CG2-CD1 3.77Å; V286-I288 HydrophobicContact CG2-CG1 4.26Å
287Y97.9Very high97.7Very high100 Ų10032.7 Ų32.739%0.39216%0.162SC..  trans-101.5122.1166.1174.8-100.7000109.1V253 D289V253-Y287 PolarHBondContact O-N 3.25Å; Y287-D289 HydrophobicContact CD1-CB 4.06Å; Y287-D289 HydrophobicContact CE1-CB 3.57Å
288I98Very high97.7Very high21 Ų2137.9 Ų37.911%0.10819%0.186CC..  trans-94.398.9177.4-53.6-62.5000108.4T257 Q276 V279 V286 E290 L293T257-I288 HydrophobicContact CG2-CD1 3.92Å; Q276-I288 HydrophobicContact CG-CB 4.49Å; Q276-I288 HydrophobicContact CG-CG1 4.07Å; V279-I288 HydrophobicContact CB-CD1 4.38Å; V279-I288 HydrophobicContact CG1-CD1 4.44Å; V286-I288 HydrophobicContact CG2-CD1 3.77Å; V286-I288 HydrophobicContact CG2-CG1 4.26Å; I288-E290 VanDerWaalsContact C-N 3.25Å; I288-E290 HydrophobicContact CG2-CG 4.06Å; I288-E290 PolarHBondContact O-N 2.88Å; I288-L293 HydrophobicContact CG2-CD1 4.09Å
289D97.9Very high97.7Very high3 Ų339.6 Ų39.62%0.01620%0.196CC..  trans-7577.7176.2-161.6-28.1000110.7R224 Y287 E291 A292 L293R224-D289 WeakPolarHBondContact CD-OD2 3.49Å; R224-D289 IonicContact CZ-OD2 3.65Å; R224-D289 IonicContact NE-OD2 3.8Å; R224-D289 IonicContact NH1-OD2 2.71Å; R224-D289 PolarHBondContact NH1-OD2 2.71Å; Y287-D289 HydrophobicContact CD1-CB 4.06Å; Y287-D289 HydrophobicContact CE1-CB 3.57Å; D289-E291 PolarHBondContact O-N 3.27Å; D289-A292 HydrophobicContact CB-CB 4.09Å; D289-A292 VanDerWaalsContact CG-CB 3.43Å; D289-A292 PolarHBondContact O-N 3.37Å; D289-A292 WeakPolarHBondContact OD1-CB 3.29Å; D289-A292 PolarHBondContact OD1-N 3.27Å; D289-L293 WeakPolarHBondContact O-CB 3.48Å; D289-L293 WeakPolarHBondContact O-CD1 3.36Å; D289-L293 VanDerWaalsContact O-CG 3.23Å; D289-L293 WeakPolarHBondContact O-CG 3.44Å; D289-L293 PolarHBondContact O-N 3.29Å
290E97.6Very high97.7Very high53 Ų5339.6 Ų39.625%0.24820%0.196CC..Hα-helixtrans-56.3-36.9-177.8-70-162171.100112K272 R273 I288 V294K272-E290 HydrophobicContact CD-CB 3.86Å; K272-E290 VanDerWaalsContact CD-CD 3.43Å; K272-E290 HydrophobicContact CD-CG 3.67Å; K272-E290 WeakPolarHBondContact CD-OE2 3.41Å; K272-E290 VanDerWaalsContact CE-CD 3.47Å; K272-E290 WeakPolarHBondContact CE-OE2 3.31Å; K272-E290 HydrophobicContact CG-CG 4.04Å; K272-E290 IonicContact NZ-OE2 2.79Å; K272-E290 PolarHBondContact NZ-OE2 2.94Å; R273-E290 IonicContact NH1-OE1 3.59Å; R273-E290 PolarHBondContact NH1-OE1 3.01Å; R273-E290 IonicContact NH2-OE1 3.15Å; I288-E290 VanDerWaalsContact C-N 3.25Å; I288-E290 HydrophobicContact CG2-CG 4.06Å; I288-E290 PolarHBondContact O-N 2.88Å; E290-V294 VanDerWaalsContact O-CG2 3.31Å; E290-V294 WeakPolarHBondContact O-CG2 3.36Å; E290-V294 PolarHBondContact O-N 3.14Å
291E98.2Very high97.7Very high118 Ų11842 Ų4255%0.55121%0.208SC*.Hα-helixtrans-67.5-53179.7-176.2-175.9166.200111.5T221 D289 L293 V294 N295T221-E291 HydrophobicContact CG2-CB 4.08Å; T221-E291 HydrophobicContact CG2-CG 3.94Å; D289-E291 PolarHBondContact O-N 3.27Å; E291-L293 PolarHBondContact O-N 3.23Å; E291-V294 PolarHBondContact O-N 3.04Å; E291-N295 WeakPolarHBondContact CG-ND2 3.42Å; E291-N295 WeakPolarHBondContact O-CB 3.29Å; E291-N295 VanDerWaalsContact O-CG 3.24Å; E291-N295 PolarHBondContact O-N 3.5Å; E291-N295 PolarHBondContact O-ND2 3.16Å
292A98.4Very high97.8Very high0 Ų048.2 Ų48.20%023%0.233CC..Hα-helixtrans-60.3-38.6178.500000111.7T221 R224 T225 L228 D289 A296T221-A292 HydrophobicContact CG2-CB 3.89Å; R224-A292 HydrophobicContact CB-CB 3.83Å; T225-A292 WeakPolarHBondContact OG1-CA 3.17Å; L228-A292 HydrophobicContact CD1-CB 4.05Å; L228-A292 WeakPolarHBondContact CD1-O 3.48Å; D289-A292 HydrophobicContact CB-CB 4.09Å; D289-A292 VanDerWaalsContact CG-CB 3.43Å; D289-A292 PolarHBondContact O-N 3.37Å; D289-A292 WeakPolarHBondContact OD1-CB 3.29Å; D289-A292 PolarHBondContact OD1-N 3.27Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.09Å; A292-A296 PolarHBondContact O-N 2.95Å
293L98.6Very high97.9Very high1 Ų149.6 Ų49.61%0.00524%0.241CC..Hα-helixtrans-64.5-42.5179.5-74.7167.2000112.5L228 C261 M265 Y266 I288 D289 E291L228-L293 HydrophobicContact CD1-CD2 4.36Å; C261-L293 HydrophobicContact CB-CD1 3.64Å; C261-L293 HydrophobicContact CB-CD2 3.63Å; C261-L293 HydrophobicContact CB-CG 4.28Å; M265-L293 HydrophobicContact CE-CB 4.23Å; M265-L293 HydrophobicContact SD-CB 3.8Å; M265-L293 HydrophobicContact SD-CD1 3.98Å; M265-L293 HydrophobicContact SD-CD2 4.12Å; M265-L293 HydrophobicContact SD-CG 4.19Å; Y266-L293 VanDerWaalsContact CE1-O 3.3Å; Y266-L293 WeakPolarHBondContact CE1-O 3.29Å; Y266-L293 VanDerWaalsContact OH-C 3.32Å; Y266-L293 VanDerWaalsContact OH-CA 3.28Å; Y266-L293 WeakPolarHBondContact OH-CA 3.34Å; Y266-L293 PolarHBondContact OH-O 3.28Å; I288-L293 HydrophobicContact CG2-CD1 4.09Å; D289-L293 WeakPolarHBondContact O-CB 3.48Å; D289-L293 WeakPolarHBondContact O-CD1 3.36Å; D289-L293 VanDerWaalsContact O-CG 3.23Å; D289-L293 WeakPolarHBondContact O-CG 3.44Å; D289-L293 PolarHBondContact O-N 3.29Å; E291-L293 PolarHBondContact O-N 3.23Å
294V98Very high98Very high76 Ų7652.1 Ų52.146%0.46125%0.253SS..Hα-helixtrans-71.4-45.4177.7171.10000110.5E290 E291 A296 Q297E290-V294 VanDerWaalsContact O-CG2 3.31Å; E290-V294 WeakPolarHBondContact O-CG2 3.36Å; E290-V294 PolarHBondContact O-N 3.14Å; E291-V294 PolarHBondContact O-N 3.04Å; V294-A296 VanDerWaalsContact C-N 3.3Å; V294-A296 PolarHBondContact O-N 2.85Å; V294-Q297 WeakPolarHBondContact O-CB 3.42Å; V294-Q297 PolarHBondContact O-N 3.31Å
295N98.4Very high98Very high89 Ų8953.3 Ų53.348%0.47627%0.265SS..Hα-helixtrans-65.6-30.7-175.5-70.9-14.2000113.3T225 E291T225-N295 HydrophobicContact CG2-CB 3.79Å; E291-N295 WeakPolarHBondContact CG-ND2 3.42Å; E291-N295 WeakPolarHBondContact O-CB 3.29Å; E291-N295 VanDerWaalsContact O-CG 3.24Å; E291-N295 PolarHBondContact O-N 3.5Å; E291-N295 PolarHBondContact O-ND2 3.16Å
296A98.4Very high97.9Very high1 Ų163.3 Ų63.31%0.00830%0.3CS..THydrogen-bonded Turntrans-85-11.6-18000000114.4T225 L228 P229 A292 V294 D299 F300T225-A296 HydrophobicContact CG2-CB 4.12Å; T225-A296 WeakPolarHBondContact O-CB 3.04Å; L228-A296 HydrophobicContact CB-CB 3.73Å; L228-A296 HydrophobicContact CD1-CB 3.91Å; L228-A296 HydrophobicContact CG-CB 4.48Å; P229-A296 HydrophobicContact CG-CB 4.18Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.09Å; A292-A296 PolarHBondContact O-N 2.95Å; V294-A296 VanDerWaalsContact C-N 3.3Å; V294-A296 PolarHBondContact O-N 2.85Å; A296-D299 PolarHBondContact O-N 3.41Å; A296-F300 PolarHBondContact O-N 2.97Å
297Q98.3Very high97.6Very high69 Ų6964.9 Ų64.932%0.32231%0.308SS..Hα-helixtrans-65.3-45.4-170.5-176.7169.2-0.600112.8Y266 V294 F300 I301Y266-Q297 HydrophobicContact CD1-CB 4.01Å; Y266-Q297 HydrophobicContact CD1-CG 3.75Å; Y266-Q297 HydrophobicContact CE1-CB 3.66Å; Y266-Q297 HydrophobicContact CE1-CG 3.92Å; V294-Q297 WeakPolarHBondContact O-CB 3.42Å; V294-Q297 PolarHBondContact O-N 3.31Å; Q297-F300 PolarHBondContact O-N 3.07Å; Q297-I301 HydrophobicContact CG-CD1 4.11Å; Q297-I301 WeakPolarHBondContact O-CG1 3.35Å; Q297-I301 PolarHBondContact O-N 3.2Å; Q297-I301 VanDerWaalsContact O-N 3.09Å
298E97.8Very high97Very high128 Ų12871 Ų7160%0.59833%0.33SS*.Hα-helixtrans-65.9-41.5-179.5-17259.8-153.800111.2F300 I301 Q302E298-F300 VanDerWaalsContact C-N 3.3Å; E298-F300 PolarHBondContact O-N 3.11Å; E298-I301 PolarHBondContact O-N 3.35Å; E298-I301 VanDerWaalsContact O-N 3.15Å; E298-Q302 WeakPolarHBondContact O-CB 3.47Å; E298-Q302 PolarHBondContact O-N 2.88Å
299D98.6Very high96.1Very high49 Ų4972.1 Ų72.126%0.26234%0.339SS..Hα-helixtrans-62.2-38176.8-175.845.8000111.7P229 A296 Q302 K303P229-D299 HydrophobicContact CG-CB 4.2Å; P229-D299 WeakPolarHBondContact CG-OD2 3.23Å; A296-D299 PolarHBondContact O-N 3.41Å; D299-Q302 PolarHBondContact O-N 3.03Å; D299-K303 VanDerWaalsContact CG-NZ 3.33Å; D299-K303 VanDerWaalsContact O-CB 3.32Å; D299-K303 WeakPolarHBondContact O-CB 3.2Å; D299-K303 VanDerWaalsContact O-CG 3.28Å; D299-K303 WeakPolarHBondContact O-CG 3.17Å; D299-K303 PolarHBondContact O-N 3.36Å; D299-K303 WeakPolarHBondContact OD1-CD 3.38Å; D299-K303 WeakPolarHBondContact OD1-CE 3.34Å; D299-K303 IonicContact OD1-NZ 3.32Å; D299-K303 PolarHBondContact OD1-NZ 2.72Å; D299-K303 WeakPolarHBondContact OD2-CE 3.42Å; D299-K303 IonicContact OD2-NZ 3.64Å; D299-K303 PolarHBondContact OD2-NZ 3.38Å
300F98.7Very high95.1Very high0 Ų076.7 Ų76.70%037%0.37CS..Hα-helixtrans-61.1-48.4171.9178.3-89.5000112.3P229 V232 F233 Y266 V267 A296 Q297 E298 Q302 K303 F304 L307P229-F300 HydrophobicContact CB-CB 3.98Å; P229-F300 HydrophobicContact CB-CD2 4.19Å; P229-F300 HydrophobicContact CG-CB 4.25Å; P229-F300 WeakPolarHBondContact O-CD2 3.49Å; V232-F300 HydrophobicContact CB-CD2 4.16Å; V232-F300 HydrophobicContact CB-CE2 3.84Å; V232-F300 HydrophobicContact CG1-CD2 4.18Å; V232-F300 HydrophobicContact CG1-CE2 3.53Å; V232-F300 HydrophobicContact CG1-CZ 3.91Å; F233-F300 HydrophobicContact CB-CE2 4.38Å; Y266-F300 HydrophobicContact CD2-CB 3.99Å; Y266-F300 HydrophobicContact CD2-CD1 4.26Å; Y266-F300 HydrophobicContact CD2-CD2 4.09Å; Y266-F300 AromaticContact CD2-CG 3.84Å; Y266-F300 HydrophobicContact CD2-CG 3.84Å; Y266-F300 HydrophobicContact CE2-CB 4.5Å; Y266-F300 HydrophobicContact CG-CB 4.44Å; Y266-F300 HydrophobicContact CG-CD1 4.18Å; Y266-F300 HydrophobicContact CG-CG 4.21Å; V267-F300 HydrophobicContact CG2-CE1 4.37Å; V267-F300 HydrophobicContact CG2-CZ 3.86Å; A296-F300 PolarHBondContact O-N 2.97Å; Q297-F300 PolarHBondContact O-N 3.07Å; E298-F300 VanDerWaalsContact C-N 3.3Å; E298-F300 PolarHBondContact O-N 3.11Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 3.41Å; F300-K303 PolarHBondContact O-N 3.26Å; F300-F304 AromaticContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CE2 4.22Å; F300-F304 HydrophobicContact CE2-CB 4.4Å; F300-F304 AromaticContact CE2-CD2 3.77Å; F300-F304 HydrophobicContact CE2-CD2 3.77Å; F300-F304 HydrophobicContact CE2-CG 4.42Å; F300-F304 HydrophobicContact CG-CD2 4.25Å; F300-F304 HydrophobicContact CZ-CB 4.41Å; F300-F304 PolarHBondContact O-N 2.75Å; F300-L307 HydrophobicContact CE1-CD1 4.49Å; F300-L307 HydrophobicContact CE2-CD1 4.43Å; F300-L307 HydrophobicContact CZ-CD1 3.67Å; F300-L307 HydrophobicContact CZ-CG 4.16Å
301I98.1Very high94Very high53 Ų5375.5 Ų75.527%0.27237%0.367SS..Hα-helixtrans-63.6-41-179.7-66167.5000110.5Q297 E298 G305Q297-I301 HydrophobicContact CG-CD1 4.11Å; Q297-I301 WeakPolarHBondContact O-CG1 3.35Å; Q297-I301 PolarHBondContact O-N 3.2Å; Q297-I301 VanDerWaalsContact O-N 3.09Å; E298-I301 PolarHBondContact O-N 3.35Å; E298-I301 VanDerWaalsContact O-N 3.15Å; I301-G305 WeakPolarHBondContact O-CA 3.36Å; I301-G305 PolarHBondContact O-N 2.9Å
302Q98.4Very high92.6Very high155 Ų15575.5 Ų75.572%0.72438%0.379SS*.Hα-helixtrans-64.7-41178-173.6179.50.300112.1E298 D299 F300E298-Q302 WeakPolarHBondContact O-CB 3.47Å; E298-Q302 PolarHBondContact O-N 2.88Å; D299-Q302 PolarHBondContact O-N 3.03Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 3.41Å
303K98.5Very high91.2Very high98 Ų9876.6 Ų76.643%0.42638%0.383SS..Hα-helixtrans-77.2-42-177.9-75.6172.3172.8164.50113.7P229 Q230 D299 F300P229-K303 HydrophobicContact CB-CD 4.36Å; Q230-K303 VanDerWaalsContact NE2-NZ 3.15Å; D299-K303 VanDerWaalsContact CG-NZ 3.33Å; D299-K303 VanDerWaalsContact O-CB 3.32Å; D299-K303 WeakPolarHBondContact O-CB 3.2Å; D299-K303 VanDerWaalsContact O-CG 3.28Å; D299-K303 WeakPolarHBondContact O-CG 3.17Å; D299-K303 PolarHBondContact O-N 3.36Å; D299-K303 WeakPolarHBondContact OD1-CD 3.38Å; D299-K303 WeakPolarHBondContact OD1-CE 3.34Å; D299-K303 IonicContact OD1-NZ 3.32Å; D299-K303 PolarHBondContact OD1-NZ 2.72Å; D299-K303 WeakPolarHBondContact OD2-CE 3.42Å; D299-K303 IonicContact OD2-NZ 3.64Å; D299-K303 PolarHBondContact OD2-NZ 3.38Å; F300-K303 PolarHBondContact O-N 3.26Å
304F98.2Very high89.1Confident57 Ų5780 Ų8025%0.2541%0.405CS..Hα-helixtrans-122.2-6.4-166.7-53-64.7000113.7P229 Q230 F233 F300 L307P229-F304 HydrophobicContact CB-CE2 3.98Å; P229-F304 VanDerWaalsContact O-CE2 3.31Å; P229-F304 WeakPolarHBondContact O-CE2 3.27Å; Q230-F304 HydrophobicContact CG-CZ 4.45Å; F233-F304 HydrophobicContact CB-CD1 4.17Å; F233-F304 HydrophobicContact CB-CD2 3.99Å; F233-F304 HydrophobicContact CB-CE1 4Å; F233-F304 HydrophobicContact CB-CE2 3.82Å; F233-F304 HydrophobicContact CB-CG 4.16Å; F233-F304 HydrophobicContact CB-CZ 3.82Å; F233-F304 HydrophobicContact CD1-CD1 4.3Å; F233-F304 AromaticContact CD1-CE1 3.93Å; F233-F304 HydrophobicContact CD1-CE1 3.93Å; F233-F304 HydrophobicContact CD1-CZ 4.38Å; F233-F304 HydrophobicContact CD2-CB 3.98Å; F233-F304 AromaticContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD2 4.28Å; F233-F304 AromaticContact CD2-CE1 3.78Å; F233-F304 HydrophobicContact CD2-CE1 3.78Å; F233-F304 AromaticContact CD2-CG 3.58Å; F233-F304 HydrophobicContact CD2-CG 3.58Å; F233-F304 HydrophobicContact CD2-CZ 4.43Å; F233-F304 HydrophobicContact CE1-CE1 4.36Å; F233-F304 HydrophobicContact CE2-CB 4.47Å; F233-F304 AromaticContact CE2-CD1 3.67Å; F233-F304 HydrophobicContact CE2-CD1 3.67Å; F233-F304 HydrophobicContact CE2-CE1 4.23Å; F233-F304 HydrophobicContact CE2-CG 4.26Å; F233-F304 AromaticContact CG-CD1 3.66Å; F233-F304 HydrophobicContact CG-CD1 3.66Å; F233-F304 HydrophobicContact CG-CD2 4.37Å; F233-F304 AromaticContact CG-CE1 3.61Å; F233-F304 HydrophobicContact CG-CE1 3.61Å; F233-F304 HydrophobicContact CG-CE2 4.33Å; F233-F304 HydrophobicContact CG-CG 4.04Å; F233-F304 AromaticContact CG-CZ 3.96Å; F233-F304 HydrophobicContact CG-CZ 3.96Å; F233-F304 HydrophobicContact CZ-CD1 4.3Å; F233-F304 HydrophobicContact CZ-CE1 4.5Å; F300-F304 AromaticContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CE2 4.22Å; F300-F304 HydrophobicContact CE2-CB 4.4Å; F300-F304 AromaticContact CE2-CD2 3.77Å; F300-F304 HydrophobicContact CE2-CD2 3.77Å; F300-F304 HydrophobicContact CE2-CG 4.42Å; F300-F304 HydrophobicContact CG-CD2 4.25Å; F300-F304 HydrophobicContact CZ-CB 4.41Å; F300-F304 PolarHBondContact O-N 2.75Å; F304-L307 HydrophobicContact CB-CD1 4.5Å; F304-L307 HydrophobicContact CB-CD2 4.47Å; F304-L307 VanDerWaalsContact O-CD2 3.31Å; F304-L307 WeakPolarHBondContact O-CD2 3.29Å
305G95.9Very high86.9Confident29 Ų2985.6 Ų85.630%0.29943%0.426SS..  trans69.4-163-176.600000113.1I301 L307I301-G305 WeakPolarHBondContact O-CA 3.36Å; I301-G305 PolarHBondContact O-N 2.9Å; G305-L307 PolarHBondContact O-N 3.34Å
306R94.1Very high84.5Confident223 Ų22387.2 Ų87.284%0.84244%0.439SS*.SBendtrans-89.390.8175.4-65.7-176-178.1-176.20.5109.8
307L92.2Very high83.8Confident40 Ų4091.5 Ų91.521%0.20946%0.461CS..  trans-63.4144175.7-57-176.7000110.5F233 H236 V267 F300 F304 G305F233-L307 HydrophobicContact CD2-CD1 3.95Å; F233-L307 HydrophobicContact CE2-CD1 4.45Å; H236-L307 WeakPolarHBondContact ND1-CD1 3.33Å; V267-L307 HydrophobicContact CG1-CB 4.36Å; V267-L307 HydrophobicContact CG2-CD1 4.47Å; F300-L307 HydrophobicContact CE1-CD1 4.49Å; F300-L307 HydrophobicContact CE2-CD1 4.43Å; F300-L307 HydrophobicContact CZ-CD1 3.67Å; F300-L307 HydrophobicContact CZ-CG 4.16Å; F304-L307 HydrophobicContact CB-CD1 4.5Å; F304-L307 HydrophobicContact CB-CD2 4.47Å; F304-L307 VanDerWaalsContact O-CD2 3.31Å; F304-L307 WeakPolarHBondContact O-CD2 3.29Å; G305-L307 PolarHBondContact O-N 3.34Å
308R84.3Confident83.1Confident227 Ų22792.7 Ų92.786%0.85747%0.468SS*.  trans-107.5146.6171.1-64.1-176.5-178.4-177.60.3108.4H236H236-R308 PolarHBondContact CE1-O 3.16Å; H236-R308 PolarHBondContact NE2-O 3.43Å
309T79.4Confident82.3Confident46 Ų4690.7 Ų90.728%0.28246%0.461SS..  trans-102.3134.1172.2-167.50000110.6E240 L268 V311 Y313E240-T309 VanDerWaalsContact OE1-CA 3.24Å; E240-T309 WeakPolarHBondContact OE1-CA 3.49Å; E240-T309 WeakPolarHBondContact OE1-CB 3.1Å; E240-T309 PolarHBondContact OE1-OG1 3.25Å; L268-T309 HydrophobicContact CD2-CG2 3.77Å; T309-V311 VanDerWaalsContact C-N 3.33Å; T309-V311 WeakPolarHBondContact OG1-CB 3.07Å; T309-V311 PolarHBondContact OG1-N 2.95Å; T309-Y313 HydrophobicContact CG2-CD2 4.16Å; T309-Y313 HydrophobicContact CG2-CE2 3.87Å; T309-Y313 WeakPolarHBondContact OG1-CE2 3.43Å
310S78Confident81.3Confident98 Ų9893.2 Ų93.269%0.68547%0.473SS*.  trans-86.3-12.5166.766.50000111.9E240E240-S310 PolarHBondContact OE1-N 3.37Å; E240-S310 VanDerWaalsContact OE1-N 3.1Å; E240-S310 WeakPolarHBondContact OE2-CB 3.34Å; E240-S310 PolarHBondContact OE2-N 3.18Å; E240-S310 VanDerWaalsContact OE2-N 3.1Å; E240-S310 PolarHBondContact OE2-OG 3.49Å
311V74.6Confident80.2Confident29 Ų2999 Ų9918%0.17650%0.502CS..SBendtrans-79.3121.4180-176.70000109.8T309 Y313T309-V311 VanDerWaalsContact C-N 3.33Å; T309-V311 WeakPolarHBondContact OG1-CB 3.07Å; T309-V311 PolarHBondContact OG1-N 2.95Å; V311-Y313 HydrophobicContact CB-CE2 3.93Å; V311-Y313 HydrophobicContact CG1-CD1 4.46Å; V311-Y313 HydrophobicContact CG1-CE1 3.95Å; V311-Y313 HydrophobicContact CG1-CE2 4.11Å; V311-Y313 WeakPolarHBondContact O-CD2 3.49Å; V311-Y313 WeakPolarHBondContact O-CE2 3.32Å; V311-Y313 PolarHBondContact O-N 3.18Å
312C68.1Low79Confident118 Ų118102.1 Ų102.180%0.79752%0.518SS*.  trans-73.4111.3171.7-168.90000109.3
313Y68.3Low77.6Confident23 Ų2398.3 Ų98.39%0.0950%0.503CS..PPolyproline II helixtrans-90.1134.8167.5-60.4-77.9000108.4L143 L268 T309 V311 Q315L143-Y313 HydrophobicContact CB-CD1 4.23Å; L143-Y313 HydrophobicContact CB-CE1 4.35Å; L143-Y313 HydrophobicContact CD1-CD1 3.93Å; L143-Y313 HydrophobicContact CD1-CE1 3.78Å; L143-Y313 HydrophobicContact CD2-CD1 3.88Å; L143-Y313 HydrophobicContact CG-CD1 4.24Å; L143-Y313 HydrophobicContact CG-CE1 4.46Å; L268-Y313 HydrophobicContact CD1-CD2 3.76Å; L268-Y313 HydrophobicContact CD1-CE2 4.17Å; L268-Y313 HydrophobicContact CD1-CG 4.03Å; L268-Y313 HydrophobicContact CD2-CD2 3.6Å; L268-Y313 HydrophobicContact CD2-CE2 3.58Å; L268-Y313 HydrophobicContact CG-CD2 4.36Å; L268-Y313 HydrophobicContact CG-CE2 4.47Å; T309-Y313 HydrophobicContact CG2-CD2 4.16Å; T309-Y313 HydrophobicContact CG2-CE2 3.87Å; T309-Y313 WeakPolarHBondContact OG1-CE2 3.43Å; V311-Y313 HydrophobicContact CB-CE2 3.93Å; V311-Y313 HydrophobicContact CG1-CD1 4.46Å; V311-Y313 HydrophobicContact CG1-CE1 3.95Å; V311-Y313 HydrophobicContact CG1-CE2 4.11Å; V311-Y313 WeakPolarHBondContact O-CD2 3.49Å; V311-Y313 WeakPolarHBondContact O-CE2 3.32Å; V311-Y313 PolarHBondContact O-N 3.18Å; Y313-Q315 PolarHBondContact O-N 3.09Å; Y313-Q315 VanDerWaalsContact O-N 3.14Å
314P55.1Low76Confident73 Ų7398.3 Ų98.347%0.47451%0.509SS..PPolyproline II helixtrans-55.9125.1174.822.2-31.7000108.9P144 T316P144-P314 HydrophobicContact CG-CG 3.94Å; P314-T316 PolarHBondContact O-N 3.25Å
315Q52.1Low74.2Confident192 Ų192101.8 Ų101.890%0.89753%0.53SS*.PPolyproline II helixtrans-64.4122.8165.2-66.2-178.2-10.700106.3Y313Y313-Q315 PolarHBondContact O-N 3.09Å; Y313-Q315 VanDerWaalsContact O-N 3.14Å
316T48.4Very low72.2Confident123 Ų123108.4 Ų108.476%0.75555%0.551SS**  trans-73.10173.747.90000111.6F278 P314F278-T316 HydrophobicContact CD2-CG2 3.53Å; F278-T316 HydrophobicContact CE2-CG2 3.32Å; P314-T316 PolarHBondContact O-N 3.25Å

Retrieved 316 of 316 residues in 1013.1 ms (Link to these results)

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