A0A077ZD81_TRITR Loading...

Protein CBG07648

AlphaFold DB , UniProt , Accession A0A077ZD81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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
1M86.7Confident87.9Confident23 Ų2321.1 Ų21.111%0.11314%0.14CC..  0136.30-175.5-171.682.400109.4Y36 D39 L40 A42 I63 R64 L65 T66 R75M1-Y36 HydrophobicContact CE-CD1 4.4Å; M1-Y36 HydrophobicContact CE-CE1 4.27Å; M1-D39 VanDerWaalsContact CB-O 3.3Å; M1-D39 WeakPolarHBondContact CB-O 3.39Å; M1-L40 WeakPolarHBondContact CE-O 3.27Å; M1-A42 HydrophobicContact CE-CB 4.2Å; M1-I63 HydrophobicContact CG-CG2 3.44Å; M1-I63 VanDerWaalsContact CG-CG2 3.44Å; M1-I63 HydrophobicContact SD-CG2 3.84Å; M1-R64 CarbonylContact C-O 3.49Å; M1-R64 WeakPolarHBondContact CA-O 3.33Å; M1-L65 HydrophobicContact CB-CD2 4.32Å; M1-L65 HydrophobicContact CG-CD2 4.02Å; M1-T66 PolarHBondContact N-OG1 2.71Å; M1-R75 PolarHBondContact O-NE 3.34Å; M1-R75 VanDerWaalsContact O-NE 3.15Å
2T88.4Confident87.4Confident2 Ų231.2 Ų31.21%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-140.8124.7175.7-500000109.1R64 R75T2-R64 PolarHBondContact N-O 2.76Å; T2-R64 PolarHBondContact O-N 3.27Å; T2-R75 HydrophobicContact CG2-CB 4.01Å; T2-R75 WeakPolarHBondContact OG1-CB 3.09Å; T2-R75 WeakPolarHBondContact OG1-CG 3.04Å
3V90.7Very high87.1Confident12 Ų1233.8 Ų33.87%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-78.1126.2169.2-175.90000107.9L19 G23 L34 Y36 A42 C61 Q62 I63V3-L19 HydrophobicContact CG1-CD1 4.21Å; V3-G23 WeakPolarHBondContact O-CA 3.47Å; V3-L34 HydrophobicContact CB-CD1 3.67Å; V3-L34 HydrophobicContact CG1-CD1 4.12Å; V3-Y36 HydrophobicContact CG2-CE1 4.45Å; V3-Y36 PolarHBondContact N-OH 3.14Å; V3-A42 HydrophobicContact CG2-CB 3.71Å; V3-C61 HydrophobicContact CG1-CB 3.93Å; V3-Q62 WeakPolarHBondContact CA-O 2.88Å; V3-I63 HydrophobicContact CG2-CG1 4.26Å
4H89.8Confident87Confident2 Ų243.1 Ų43.11%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-140.7161.4176.770.685.4000109.4Q62 R64 D100H4-Q62 PolarHBondContact N-O 3.29Å; H4-Q62 CarbonylContact O-C 3.6Å; H4-Q62 VanDerWaalsContact O-C 3.3Å; H4-Q62 WeakPolarHBondContact O-CA 3.33Å; H4-Q62 WeakPolarHBondContact O-CB 3.39Å; H4-Q62 PolarHBondContact O-N 2.7Å; H4-Q62 VanDerWaalsContact O-N 3.14Å; H4-R64 VanDerWaalsContact CD2-CB 3.49Å; H4-R64 WeakPolarHBondContact CD2-CB 3.49Å; H4-R64 PolarHBondContact CE1-NH2 2.73Å; H4-R64 PolarHBondContact NE2-NH2 3.23Å; H4-D100 IonicContact CE1-OD2 3.87Å; H4-D100 IonicContact NE2-OD1 2.7Å; H4-D100 PolarHBondContact NE2-OD1 3.3Å; H4-D100 IonicContact NE2-OD2 3.16Å
5T89.8Confident87Confident30 Ų3052.9 Ų52.918%0.18428%0.281CS..EExtended strand (participates in β ladder)trans52.575.1179.3-42.70000112.6L17 L19 D20 Q62T5-L17 HydrophobicContact CG2-CD1 4.17Å; T5-L19 VanDerWaalsContact CA-O 3.28Å; T5-L19 WeakPolarHBondContact CA-O 3.18Å; T5-D20 PolarHBondContact N-O 3.12Å; T5-Q62 VanDerWaalsContact CG2-OE1 3.3Å; T5-Q62 PolarHBondContact O-N 3.2Å; T5-Q62 PolarHBondContact OG1-OE1 3.02Å
6C90.1Very high87.1Confident3 Ų352.6 Ų52.62%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-102.3132169.8-70.70000109.1L18 L19 M31 Q60 C61C6-L18 HydrophobicContact CB-CB 4.25Å; C6-L18 PolarHBondContact O-N 3.46Å; C6-L19 HydrophobicContact CB-CB 4Å; C6-L19 HydrophobicContact CB-CD1 4.08Å; C6-L19 HydrophobicContact CB-CG 3.91Å; C6-L19 PolarHBondContact N-O 3.11Å; C6-L19 PolarHBondContact O-N 2.97Å; C6-L19 WeakPolarHBondContact SG-CD1 3.43Å; C6-M31 HydrophobicContact CB-SD 4.44Å; C6-Q60 CarbonylContact C-O 3.58Å; C6-Q60 VanDerWaalsContact CA-O 3.3Å; C6-Q60 WeakPolarHBondContact CA-O 3.08Å; C6-C61 HydrophobicContact CB-CB 4.18Å; C6-C61 WeakPolarHBondContact CB-SG 3.4Å; C6-C61 WeakPolarHBondContact SG-CB 3.49Å; C6-C61 CovalentContact SG-SG 2.04Å; C6-C61 PolarHBondContact SG-SG 2.74Å
7S89.3Confident87.2Confident18 Ų1854.4 Ų54.413%0.12629%0.29CS..EExtended strand (participates in β ladder)trans-132153.3176.654.70000111.9V16 Q60S7-V16 CarbonylContact C-O 3.56Å; S7-V16 VanDerWaalsContact CA-O 3.23Å; S7-V16 WeakPolarHBondContact CA-O 3.33Å; S7-Q60 PolarHBondContact N-O 3.29Å; S7-Q60 PolarHBondContact O-N 2.86Å
8V88Confident87.2Confident0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-118.8128.2172-178.70000109.5R15 V16 L18 F49 F51 L57 F58 F59V8-R15 CarbonylContact O-C 3.59Å; V8-R15 WeakPolarHBondContact O-CA 3.3Å; V8-V16 PolarHBondContact N-O 3.32Å; V8-V16 PolarHBondContact O-N 3.03Å; V8-L18 HydrophobicContact CG2-CD1 3.45Å; V8-L18 VanDerWaalsContact CG2-CD1 3.45Å; V8-L18 HydrophobicContact CG2-CG 4.1Å; V8-F49 HydrophobicContact CB-CE2 4.17Å; V8-F49 HydrophobicContact CB-CZ 3.98Å; V8-F49 HydrophobicContact CG1-CE2 4.05Å; V8-F49 HydrophobicContact CG1-CZ 4.2Å; V8-F49 HydrophobicContact CG2-CE2 4.3Å; V8-F49 HydrophobicContact CG2-CZ 3.64Å; V8-F51 HydrophobicContact CG1-CE2 4.12Å; V8-L57 HydrophobicContact CG1-CB 3.95Å; V8-L57 HydrophobicContact CG1-CD2 4.27Å; V8-F58 WeakPolarHBondContact CA-O 3.16Å; V8-F59 HydrophobicContact CG1-CE1 4.48Å; V8-F59 HydrophobicContact CG1-CE2 4.32Å; V8-F59 HydrophobicContact CG1-CZ 4.3Å; V8-F59 HydrophobicContact CG2-CB 4.39Å; V8-F59 HydrophobicContact CG2-CD1 3.2Å; V8-F59 HydrophobicContact CG2-CD2 4.34Å; V8-F59 HydrophobicContact CG2-CE1 3.33Å; V8-F59 HydrophobicContact CG2-CE2 4.43Å; V8-F59 HydrophobicContact CG2-CG 3.73Å; V8-F59 HydrophobicContact CG2-CZ 3.96Å
9E88.6Confident87.4Confident74 Ų7448.8 Ų48.835%0.34626%0.261SS..EExtended strand (participates in β ladder)trans-115.3149.5179.5-56.4-167.2159.700111.4R14 R15 F58E9-R14 WeakPolarHBondContact CA-O 3.39Å; E9-R15 HydrophobicContact CG-CB 3.96Å; E9-F58 HydrophobicContact CB-CB 4.34Å; E9-F58 PolarHBondContact N-O 3.38Å; E9-F58 WeakPolarHBondContact O-CD2 3.49Å; E9-F58 PolarHBondContact O-N 2.77Å
10D83.4Confident87.4Confident10 Ų1047.8 Ų47.85%0.05326%0.255CS..  trans-98.83.2177.274.4-16.9000114Q12 G13 R14 F51 K54D10-Q12 PolarHBondContact O-N 3.25Å; D10-Q12 WeakPolarHBondContact OD1-CA 3.47Å; D10-Q12 PolarHBondContact OD1-N 2.8Å; D10-G13 PolarHBondContact OD1-N 3.41Å; D10-R14 PolarHBondContact N-O 3.38Å; D10-R14 PolarHBondContact OD1-N 3.44Å; D10-R14 WeakPolarHBondContact OD2-CB 3.31Å; D10-R14 WeakPolarHBondContact OD2-CD 3.17Å; D10-F51 HydrophobicContact CB-CD2 3.72Å; D10-F51 HydrophobicContact CB-CE2 4.09Å; D10-F51 HydrophobicContact CB-CG 4.41Å; D10-K54 HydrophobicContact CB-CD 4.19Å; D10-K54 HydrophobicContact CB-CG 3.97Å; D10-K54 VanDerWaalsContact OD2-CE 3.22Å; D10-K54 WeakPolarHBondContact OD2-CE 3.33Å
11G81.8Confident87.5Confident58 Ų5851.7 Ų51.760%0.59827%0.272SS*.SBendtrans76.3-4-174.600000115.3
12Q82.3Confident87.5Confident142 Ų14254 Ų5466%0.66429%0.285SS*.SBendtrans-110.514.9175.3-62-171.97.600112.4D10D10-Q12 PolarHBondContact O-N 3.25Å; D10-Q12 WeakPolarHBondContact OD1-CA 3.47Å; D10-Q12 PolarHBondContact OD1-N 2.8Å
13G83.8Confident87.5Confident66 Ų6654 Ų5468%0.6828%0.284SS*.SBendtrans87.42177.900000114.5D10 R15D10-G13 PolarHBondContact OD1-N 3.41Å; G13-R15 PolarHBondContact O-N 2.9Å
14R84.7Confident87.4Confident163 Ų16354.2 Ų54.262%0.61529%0.286SS*.  trans-79.6116.7168.2-60-176.7174.4176.2-0.5108E9 D10E9-R14 WeakPolarHBondContact CA-O 3.39Å; D10-R14 PolarHBondContact N-O 3.38Å; D10-R14 PolarHBondContact OD1-N 3.44Å; D10-R14 WeakPolarHBondContact OD2-CB 3.31Å; D10-R14 WeakPolarHBondContact OD2-CD 3.17Å
15R87.6Confident87.3Confident191 Ų19154.9 Ų54.972%0.72129%0.291SS*.EExtended strand (participates in β ladder)trans-118.1134.6176.666.5-179.9-176.7171.20.4110.4V8 E9 G13V8-R15 CarbonylContact O-C 3.59Å; V8-R15 WeakPolarHBondContact O-CA 3.3Å; E9-R15 HydrophobicContact CG-CB 3.96Å; G13-R15 PolarHBondContact O-N 2.9Å
16V88.1Confident87.1Confident48 Ų4857.9 Ų57.929%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-115.7125.9172.5174.50000108.2S7 V8 L18 L30 F51S7-V16 CarbonylContact C-O 3.56Å; S7-V16 VanDerWaalsContact CA-O 3.23Å; S7-V16 WeakPolarHBondContact CA-O 3.33Å; V8-V16 PolarHBondContact N-O 3.32Å; V8-V16 PolarHBondContact O-N 3.03Å; V16-L18 HydrophobicContact CG1-CD2 4.25Å; V16-L30 HydrophobicContact CG1-CD1 4.27Å; V16-F51 HydrophobicContact CB-CZ 4.26Å; V16-F51 HydrophobicContact CG2-CE1 3.71Å; V16-F51 HydrophobicContact CG2-CZ 3.58Å
17L88.6Confident86.6Confident82 Ų8260.8 Ų60.843%0.42932%0.318SS..EExtended strand (participates in β ladder)trans-82.9121.1176.5-17071.4000109.1T5 L19 Q26T5-L17 HydrophobicContact CG2-CD1 4.17Å; L17-L19 WeakPolarHBondContact CD1-O 3.47Å; L17-L19 VanDerWaalsContact CG-O 3.28Å; L17-L19 WeakPolarHBondContact CG-O 3.47Å; L17-Q26 HydrophobicContact CD2-CG 4.26Å; L17-Q26 HydrophobicContact CG-CG 4.49Å
18L88.5Confident85.8Confident3 Ų366.8 Ų66.82%0.01634%0.342CS..EExtended strand (participates in β ladder)trans-94.9-44.5178-58.2-178.4000111.9C6 V8 V16 P25 Q26 L30 M31 F49 F59C6-L18 HydrophobicContact CB-CB 4.25Å; C6-L18 PolarHBondContact O-N 3.46Å; V8-L18 HydrophobicContact CG2-CD1 3.45Å; V8-L18 VanDerWaalsContact CG2-CD1 3.45Å; V8-L18 HydrophobicContact CG2-CG 4.1Å; V16-L18 HydrophobicContact CG1-CD2 4.25Å; L18-P25 WeakPolarHBondContact O-CA 3.26Å; L18-Q26 PolarHBondContact O-N 2.97Å; L18-L30 HydrophobicContact CD2-CB 3.83Å; L18-L30 HydrophobicContact CD2-CD1 4Å; L18-M31 HydrophobicContact CB-CG 4Å; L18-M31 HydrophobicContact CB-SD 3.33Å; L18-M31 WeakPolarHBondContact CB-SD 3.46Å; L18-M31 HydrophobicContact CD1-CG 3.84Å; L18-M31 HydrophobicContact CD1-SD 3.36Å; L18-M31 WeakPolarHBondContact CD1-SD 3.45Å; L18-M31 HydrophobicContact CG-CG 4.37Å; L18-M31 HydrophobicContact CG-SD 3.95Å; L18-F49 HydrophobicContact CD1-CE1 4.05Å; L18-F49 HydrophobicContact CD1-CZ 3.96Å; L18-F49 HydrophobicContact CD2-CE1 3.92Å; L18-F49 HydrophobicContact CD2-CZ 3.7Å; L18-F49 HydrophobicContact CG-CZ 4.35Å; L18-F59 HydrophobicContact CD1-CD1 4.28Å; L18-F59 HydrophobicContact CD1-CE1 4.24Å
19L89.5Confident85Confident0 Ų074.4 Ų74.40%037%0.372CS..EExtended strand (participates in β ladder)trans-116.9139.9173.3-59.9-179.1000110.1V3 T5 C6 L17 C24 P25 M31 L34V3-L19 HydrophobicContact CG1-CD1 4.21Å; T5-L19 VanDerWaalsContact CA-O 3.28Å; T5-L19 WeakPolarHBondContact CA-O 3.18Å; C6-L19 HydrophobicContact CB-CB 4Å; C6-L19 HydrophobicContact CB-CD1 4.08Å; C6-L19 HydrophobicContact CB-CG 3.91Å; C6-L19 PolarHBondContact N-O 3.11Å; C6-L19 PolarHBondContact O-N 2.97Å; C6-L19 WeakPolarHBondContact SG-CD1 3.43Å; L17-L19 WeakPolarHBondContact CD1-O 3.47Å; L17-L19 VanDerWaalsContact CG-O 3.28Å; L17-L19 WeakPolarHBondContact CG-O 3.47Å; L19-C24 CarbonylContact C-O 3.52Å; L19-C24 VanDerWaalsContact CA-O 3.31Å; L19-C24 WeakPolarHBondContact CA-O 3.42Å; L19-P25 HydrophobicContact CD2-CB 4.14Å; L19-M31 HydrophobicContact CD1-CE 4.46Å; L19-M31 HydrophobicContact CG-CE 4.44Å; L19-M31 HydrophobicContact CG-SD 4.32Å; L19-L34 HydrophobicContact CD1-CD1 3.39Å; L19-L34 HydrophobicContact CD1-CG 4.15Å
20D88Confident84.3Confident29 Ų2973 Ų7316%0.15537%0.366CS..  trans-78.7-179.9173.870.115.9000113.3T5 N22 G23 C24 Q26T5-D20 PolarHBondContact N-O 3.12Å; D20-N22 PolarHBondContact O-N 2.54Å; D20-N22 VanDerWaalsContact O-N 3.14Å; D20-N22 WeakPolarHBondContact OD1-CA 3.37Å; D20-N22 WeakPolarHBondContact OD1-CB 3.36Å; D20-N22 PolarHBondContact OD1-N 3.12Å; D20-G23 PolarHBondContact O-N 2.71Å; D20-G23 PolarHBondContact OD1-N 2.71Å; D20-C24 PolarHBondContact N-O 2.76Å; D20-C24 PolarHBondContact OD1-N 3.4Å; D20-C24 WeakPolarHBondContact OD2-CB 3.45Å; D20-Q26 HydrophobicContact CB-CG 4.44Å
21E89.1Confident83.9Confident130 Ų13073.2 Ų73.261%0.60737%0.368SS*.THydrogen-bonded Turntrans-60.5-19.4178.2-62.3-177.1178.700113.8
22N87.3Confident83.8Confident72 Ų7272.6 Ų72.639%0.38536%0.356SS..THydrogen-bonded Turntrans-89.9-12.5176.3-57.1-51000111.8D20 T76 S77D20-N22 PolarHBondContact O-N 2.54Å; D20-N22 VanDerWaalsContact O-N 3.14Å; D20-N22 WeakPolarHBondContact OD1-CA 3.37Å; D20-N22 WeakPolarHBondContact OD1-CB 3.36Å; D20-N22 PolarHBondContact OD1-N 3.12Å; N22-T76 CarbonylContact O-C 3.58Å; N22-T76 VanDerWaalsContact O-CB 3.22Å; N22-T76 WeakPolarHBondContact O-CB 3.45Å; N22-T76 PolarHBondContact O-OG1 2.92Å; N22-S77 WeakPolarHBondContact O-CA 3.3Å; N22-S77 PolarHBondContact O-N 2.94Å
23G88.5Confident83.8Confident0 Ų070.5 Ų70.50%035%0.35CS..SBendtrans84.323.6-172.700000113.1V3 D20 S77V3-G23 WeakPolarHBondContact O-CA 3.47Å; D20-G23 PolarHBondContact O-N 2.71Å; D20-G23 PolarHBondContact OD1-N 2.71Å; G23-S77 WeakPolarHBondContact O-CB 3.3Å; G23-S77 PolarHBondContact O-OG 3.14Å
24C89.2Confident83.8Confident17 Ų1768.5 Ų68.512%0.11532%0.323CS..  trans-92140.3173-58.20000111.6L19 D20 Q26 C80L19-C24 CarbonylContact C-O 3.52Å; L19-C24 VanDerWaalsContact CA-O 3.31Å; L19-C24 WeakPolarHBondContact CA-O 3.42Å; D20-C24 PolarHBondContact N-O 2.76Å; D20-C24 PolarHBondContact OD1-N 3.4Å; D20-C24 WeakPolarHBondContact OD2-CB 3.45Å; C24-Q26 PolarHBondContact O-N 3.02Å; C24-C80 WeakPolarHBondContact CA-SG 3.28Å; C24-C80 HydrophobicContact CB-CB 3.85Å; C24-C80 WeakPolarHBondContact CB-SG 3.49Å; C24-C80 VanDerWaalsContact SG-CA 3.51Å; C24-C80 WeakPolarHBondContact SG-CB 3.28Å; C24-C80 CovalentContact SG-SG 2.02Å; C24-C80 PolarHBondContact SG-SG 2.04Å
25P87.4Confident83.9Confident16 Ų1665.4 Ų65.410%0.10432%0.319CS..BIsolated β-bridgetrans-66.4125.6174.227.7-33000110.9L18 L19 M31 N33L18-P25 WeakPolarHBondContact O-CA 3.26Å; L19-P25 HydrophobicContact CD2-CB 4.14Å; P25-M31 VanDerWaalsContact CB-O 3.26Å; P25-M31 WeakPolarHBondContact CB-O 3.49Å; P25-N33 VanDerWaalsContact CD-OD1 3.28Å; P25-N33 WeakPolarHBondContact CD-OD1 3.45Å; P25-N33 VanDerWaalsContact CG-OD1 3.29Å; P25-N33 WeakPolarHBondContact CG-OD1 3.36Å
26Q84.8Confident83.8Confident94 Ų9458 Ų5844%0.43929%0.291SS..SBendtrans-72.2-39.1172.4-77.8-66.6-56.800111.3L17 L18 D20 C24L17-Q26 HydrophobicContact CD2-CG 4.26Å; L17-Q26 HydrophobicContact CG-CG 4.49Å; L18-Q26 PolarHBondContact O-N 2.97Å; D20-Q26 HydrophobicContact CB-CG 4.44Å; C24-Q26 PolarHBondContact O-N 3.02Å
27D79.6Confident83.6Confident63 Ų6359.2 Ų59.234%0.33730%0.301SS..  trans-132.5113.4176.2-169.3-17.5000111Y29 L30 M31D27-Y29 PolarHBondContact O-N 3.23Å; D27-Y29 WeakPolarHBondContact OD1-CB 3.29Å; D27-Y29 WeakPolarHBondContact OD1-CD2 3.28Å; D27-Y29 PolarHBondContact OD1-N 3.4Å; D27-L30 HydrophobicContact CB-CB 4.22Å; D27-L30 HydrophobicContact CB-CD1 4.04Å; D27-L30 HydrophobicContact CB-CG 4.05Å; D27-L30 PolarHBondContact O-N 3.12Å; D27-L30 VanDerWaalsContact O-N 3.11Å; D27-M31 PolarHBondContact O-N 3.48Å; D27-M31 VanDerWaalsContact O-O 3.12Å
28K73.8Confident83.3Confident144 Ų14459.1 Ų59.163%0.62630%0.304SS*.THydrogen-bonded Turntrans-61.6-22178.464.6-175.5178.3-173.10114.2M31K28-M31 WeakPolarHBondContact CA-O 3.43Å
29Y71.6Confident83Confident161 Ų16161.6 Ų61.663%0.63132%0.317SS*.THydrogen-bonded Turntrans-81.1-28.5176.9-63.7-72000112D27D27-Y29 PolarHBondContact O-N 3.23Å; D27-Y29 WeakPolarHBondContact OD1-CB 3.29Å; D27-Y29 WeakPolarHBondContact OD1-CD2 3.28Å; D27-Y29 PolarHBondContact OD1-N 3.4Å
30L73.8Confident82.8Confident43 Ų4368.3 Ų68.323%0.22535%0.352CS..THydrogen-bonded Turntrans-88.3-40.9178.5-60.2-179.8000111.8V16 L18 D27 S46 F49V16-L30 HydrophobicContact CG1-CD1 4.27Å; L18-L30 HydrophobicContact CD2-CB 3.83Å; L18-L30 HydrophobicContact CD2-CD1 4Å; D27-L30 HydrophobicContact CB-CB 4.22Å; D27-L30 HydrophobicContact CB-CD1 4.04Å; D27-L30 HydrophobicContact CB-CG 4.05Å; D27-L30 PolarHBondContact O-N 3.12Å; D27-L30 VanDerWaalsContact O-N 3.11Å; L30-S46 WeakPolarHBondContact O-CB 3.42Å; L30-F49 HydrophobicContact CB-CD1 4.41Å; L30-F49 HydrophobicContact CB-CE1 4.27Å; L30-F49 HydrophobicContact CD2-CB 4.11Å; L30-F49 HydrophobicContact CD2-CD1 3.82Å; L30-F49 HydrophobicContact CD2-CD2 4.45Å; L30-F49 HydrophobicContact CD2-CE1 4.32Å; L30-F49 HydrophobicContact CD2-CG 3.88Å
31M75.1Confident82.7Confident16 Ų1668.6 Ų68.68%0.07936%0.358CS..  trans-143.8130.2173.7-78.4-17181.200111C6 L18 L19 P25 D27 K28 V44C6-M31 HydrophobicContact CB-SD 4.44Å; L18-M31 HydrophobicContact CB-CG 4Å; L18-M31 HydrophobicContact CB-SD 3.33Å; L18-M31 WeakPolarHBondContact CB-SD 3.46Å; L18-M31 HydrophobicContact CD1-CG 3.84Å; L18-M31 HydrophobicContact CD1-SD 3.36Å; L18-M31 WeakPolarHBondContact CD1-SD 3.45Å; L18-M31 HydrophobicContact CG-CG 4.37Å; L18-M31 HydrophobicContact CG-SD 3.95Å; L19-M31 HydrophobicContact CD1-CE 4.46Å; L19-M31 HydrophobicContact CG-CE 4.44Å; L19-M31 HydrophobicContact CG-SD 4.32Å; P25-M31 VanDerWaalsContact CB-O 3.26Å; P25-M31 WeakPolarHBondContact CB-O 3.49Å; D27-M31 PolarHBondContact O-N 3.48Å; D27-M31 VanDerWaalsContact O-O 3.12Å; K28-M31 WeakPolarHBondContact CA-O 3.43Å; M31-V44 HydrophobicContact CE-CG1 3.52Å; M31-V44 HydrophobicContact CE-CG2 4.47Å
32A78.6Confident82.6Confident44 Ų4464.2 Ų64.236%0.36434%0.344SS..  trans-75.1175.4168.500000111.1L34 V44A32-L34 PolarHBondContact O-N 2.75Å; A32-V44 HydrophobicContact CB-CG2 4.12Å
33N81.8Confident82.4Confident99 Ų9965.6 Ų65.653%0.52935%0.348SS..PPolyproline II helixtrans-60139170.3-68.8-51000110.3P25 N35P25-N33 VanDerWaalsContact CD-OD1 3.28Å; P25-N33 WeakPolarHBondContact CD-OD1 3.45Å; P25-N33 VanDerWaalsContact CG-OD1 3.29Å; P25-N33 WeakPolarHBondContact CG-OD1 3.36Å; N33-N35 PolarHBondContact O-N 2.75Å
34L84.6Confident82.1Confident23 Ų2367.5 Ų67.512%0.1236%0.36CS..PPolyproline II helixtrans-66.8131.6173.9-71.5159.2000110.1V3 L19 A32 Y36 A42 V44V3-L34 HydrophobicContact CB-CD1 3.67Å; V3-L34 HydrophobicContact CG1-CD1 4.12Å; L19-L34 HydrophobicContact CD1-CD1 3.39Å; L19-L34 HydrophobicContact CD1-CG 4.15Å; A32-L34 PolarHBondContact O-N 2.75Å; L34-Y36 HydrophobicContact CB-CD2 4.39Å; L34-Y36 HydrophobicContact CB-CE2 3.71Å; L34-A42 HydrophobicContact CD2-CB 4.45Å; L34-V44 HydrophobicContact CD2-CB 3.88Å; L34-V44 HydrophobicContact CD2-CG1 3.78Å
35N85.6Confident81.6Confident99 Ų9973 Ų7353%0.52939%0.388SS..EExtended strand (participates in β ladder)trans-92.2132.8168.1-175.833.1000109.5N33 P37 A42 Q43N33-N35 PolarHBondContact O-N 2.75Å; N35-P37 WeakPolarHBondContact O-CD 3.46Å; N35-A42 CarbonylContact O-C 3.51Å; N35-A42 WeakPolarHBondContact O-CA 2.97Å; N35-Q43 WeakPolarHBondContact CA-O 3.49Å; N35-Q43 WeakPolarHBondContact CB-O 3.37Å; N35-Q43 PolarHBondContact N-O 3.22Å; N35-Q43 PolarHBondContact O-N 2.88Å
36Y86.1Confident80.9Confident34 Ų3474.9 Ų74.913%0.13340%0.402CS..EExtended strand (participates in β ladder)trans-111.886179.5-69.5-90.9000109.9M1 V3 L34 T38 A41 A42M1-Y36 HydrophobicContact CE-CD1 4.4Å; M1-Y36 HydrophobicContact CE-CE1 4.27Å; V3-Y36 HydrophobicContact CG2-CE1 4.45Å; V3-Y36 PolarHBondContact N-OH 3.14Å; L34-Y36 HydrophobicContact CB-CD2 4.39Å; L34-Y36 HydrophobicContact CB-CE2 3.71Å; Y36-T38 PolarHBondContact O-N 3.31Å; Y36-A41 WeakPolarHBondContact CA-O 3.19Å; Y36-A41 WeakPolarHBondContact CD1-O 3.38Å; Y36-A42 HydrophobicContact CD1-CB 3.65Å; Y36-A42 HydrophobicContact CE1-CB 3.47Å; Y36-A42 VanDerWaalsContact CE1-CB 3.47Å; Y36-A42 HydrophobicContact CG-CB 4.47Å
37P83.4Confident80.3Confident75 Ų7576.6 Ų76.649%0.48741%0.411SS..EExtended strand (participates in β ladder)trans-64.7-26.3-178.524.8-34000113N35 A41N35-P37 WeakPolarHBondContact O-CD 3.46Å; P37-A41 WeakPolarHBondContact CD-O 3.22Å; P37-A41 HydrophobicContact CG-CB 4.05Å
38T84.1Confident79.9Confident80 Ų8078.1 Ų78.149%0.49142%0.422SS..EExtended strand (participates in β ladder)trans-139.2170173.674.50000110.6Y36 L40 A41Y36-T38 PolarHBondContact O-N 3.31Å; T38-L40 PolarHBondContact O-N 3.49Å; T38-L40 VanDerWaalsContact O-N 3.14Å; T38-L40 PolarHBondContact OG1-N 3.15Å; T38-A41 PolarHBondContact O-N 3.48Å; T38-A41 VanDerWaalsContact O-O 3.07Å; T38-A41 WeakPolarHBondContact OG1-CB 3.35Å; T38-A41 PolarHBondContact OG1-N 2.9Å; T38-A41 VanDerWaalsContact OG1-N 3.12Å
39D81.7Confident79.8Confident54 Ų5473 Ų7329%0.28940%0.4SS..THydrogen-bonded Turntrans-60.8-22.9178.7-75.5-28.5000113.9M1 K68 R75M1-D39 VanDerWaalsContact CB-O 3.3Å; M1-D39 WeakPolarHBondContact CB-O 3.39Å; D39-K68 IonicContact OD2-NZ 3.97Å; D39-K68 PolarHBondContact OD2-NZ 3.2Å; D39-R75 IonicContact OD1-NH2 3.55Å
40L85.6Confident79.9Confident142 Ų14270.3 Ų70.374%0.74339%0.392SS*.THydrogen-bonded Turntrans-118.17.1-178.2-7885.8000113.4M1 T38M1-L40 WeakPolarHBondContact CE-O 3.27Å; T38-L40 PolarHBondContact O-N 3.49Å; T38-L40 VanDerWaalsContact O-N 3.14Å; T38-L40 PolarHBondContact OG1-N 3.15Å
41A85.5Confident80Confident35 Ų3570 Ų7029%0.28939%0.389SS..EExtended strand (participates in β ladder)trans-124.1138.2177.500000110.8Y36 P37 T38Y36-A41 WeakPolarHBondContact CA-O 3.19Å; Y36-A41 WeakPolarHBondContact CD1-O 3.38Å; P37-A41 WeakPolarHBondContact CD-O 3.22Å; P37-A41 HydrophobicContact CG-CB 4.05Å; T38-A41 PolarHBondContact O-N 3.48Å; T38-A41 VanDerWaalsContact O-O 3.07Å; T38-A41 WeakPolarHBondContact OG1-CB 3.35Å; T38-A41 PolarHBondContact OG1-N 2.9Å; T38-A41 VanDerWaalsContact OG1-N 3.12Å
42A85.6Confident80.1Confident38 Ų3872.9 Ų72.931%0.31442%0.415SS..EExtended strand (participates in β ladder)trans-130139.3172.400000108.6M1 V3 L34 N35 Y36M1-A42 HydrophobicContact CE-CB 4.2Å; V3-A42 HydrophobicContact CG2-CB 3.71Å; L34-A42 HydrophobicContact CD2-CB 4.45Å; N35-A42 CarbonylContact O-C 3.51Å; N35-A42 WeakPolarHBondContact O-CA 2.97Å; Y36-A42 HydrophobicContact CD1-CB 3.65Å; Y36-A42 HydrophobicContact CE1-CB 3.47Å; Y36-A42 VanDerWaalsContact CE1-CB 3.47Å; Y36-A42 HydrophobicContact CG-CB 4.47Å
43Q84.3Confident80Confident101 Ų10178.1 Ų78.147%0.47244%0.437SS..EExtended strand (participates in β ladder)trans-135.3145.2178.6179.4179.4-14.500108.9N35 D45N35-Q43 WeakPolarHBondContact CA-O 3.49Å; N35-Q43 WeakPolarHBondContact CB-O 3.37Å; N35-Q43 PolarHBondContact N-O 3.22Å; N35-Q43 PolarHBondContact O-N 2.88Å; Q43-D45 PolarHBondContact NE2-OD1 2.79Å
44V81.2Confident79.7Confident40 Ų4074.7 Ų74.724%0.24242%0.417CS..  trans-145.5137.3168.956.60000108.2M31 A32 L34M31-V44 HydrophobicContact CE-CG1 3.52Å; M31-V44 HydrophobicContact CE-CG2 4.47Å; A32-V44 HydrophobicContact CB-CG2 4.12Å; L34-V44 HydrophobicContact CD2-CB 3.88Å; L34-V44 HydrophobicContact CD2-CG1 3.78Å
45D79.6Confident79.1Confident132 Ų13276.9 Ų76.971%0.70643%0.433SS*.  trans-92.4113.5168.9-59.8-30.4000107Q43Q43-D45 PolarHBondContact NE2-OD1 2.79Å
46S73.4Confident78.7Confident55 Ų5573.3 Ų73.339%0.38542%0.416SS..  trans-123.5149.8176.8730000110.4L30L30-S46 WeakPolarHBondContact O-CB 3.42Å
47M71.2Confident78.4Confident131 Ų13171.9 Ų71.965%0.64541%0.411SS*.  trans-69.9142.8167.5-61.8-169.9-52.400109.3F49M47-F49 PolarHBondContact O-N 3.44Å
48V70.6Confident78.5Confident94 Ų9471.7 Ų71.757%0.5740%0.402SS*.  trans-76.3118.4170.9-177.80000107.5V108V48-V108 HydrophobicContact CG1-CG1 4.03Å
49F73.2Confident78.7Confident36 Ų3669.5 Ų69.516%0.15839%0.386CS..  trans-105.8162.1171.661.9-90.8000109.4V8 L18 L30 M47 L57 F59V8-F49 HydrophobicContact CB-CE2 4.17Å; V8-F49 HydrophobicContact CB-CZ 3.98Å; V8-F49 HydrophobicContact CG1-CE2 4.05Å; V8-F49 HydrophobicContact CG1-CZ 4.2Å; V8-F49 HydrophobicContact CG2-CE2 4.3Å; V8-F49 HydrophobicContact CG2-CZ 3.64Å; L18-F49 HydrophobicContact CD1-CE1 4.05Å; L18-F49 HydrophobicContact CD1-CZ 3.96Å; L18-F49 HydrophobicContact CD2-CE1 3.92Å; L18-F49 HydrophobicContact CD2-CZ 3.7Å; L18-F49 HydrophobicContact CG-CZ 4.35Å; L30-F49 HydrophobicContact CB-CD1 4.41Å; L30-F49 HydrophobicContact CB-CE1 4.27Å; L30-F49 HydrophobicContact CD2-CB 4.11Å; L30-F49 HydrophobicContact CD2-CD1 3.82Å; L30-F49 HydrophobicContact CD2-CD2 4.45Å; L30-F49 HydrophobicContact CD2-CE1 4.32Å; L30-F49 HydrophobicContact CD2-CG 3.88Å; M47-F49 PolarHBondContact O-N 3.44Å; F49-L57 WeakPolarHBondContact O-CD1 3.36Å; F49-F59 HydrophobicContact CE1-CE1 4.06Å; F49-F59 HydrophobicContact CE1-CZ 4.36Å; F49-F59 HydrophobicContact CZ-CE1 4.11Å; F49-F59 HydrophobicContact CZ-CZ 4.34Å
50K72.4Confident79Confident105 Ų10570.2 Ų70.246%0.45739%0.388SS..  trans-140.7148.2-179.7-169.8-160.8172.9168.30110.5K54 L57 D110K50-K54 WeakPolarHBondContact CE-O 3.17Å; K50-L57 HydrophobicContact CB-CD1 4.42Å; K50-D110 WeakPolarHBondContact CD-OD1 3.34Å; K50-D110 WeakPolarHBondContact CE-OD1 3.23Å; K50-D110 WeakPolarHBondContact CE-OD2 3.44Å; K50-D110 IonicContact NZ-OD1 3Å; K50-D110 PolarHBondContact NZ-OD1 2.74Å; K50-D110 IonicContact NZ-OD2 2.6Å; K50-D110 PolarHBondContact NZ-OD2 2.93Å
51F75.6Confident79.2Confident37 Ų3764.8 Ų64.816%0.16236%0.361CS..  trans-78.6142.4165.6-63.4-72.1000110.5V8 D10 V16 D53 K54 L57V8-F51 HydrophobicContact CG1-CE2 4.12Å; D10-F51 HydrophobicContact CB-CD2 3.72Å; D10-F51 HydrophobicContact CB-CE2 4.09Å; D10-F51 HydrophobicContact CB-CG 4.41Å; V16-F51 HydrophobicContact CB-CZ 4.26Å; V16-F51 HydrophobicContact CG2-CE1 3.71Å; V16-F51 HydrophobicContact CG2-CZ 3.58Å; F51-D53 PolarHBondContact O-N 3.02Å; F51-K54 HydrophobicContact CB-CB 3.99Å; F51-K54 HydrophobicContact CB-CG 3.71Å; F51-K54 PolarHBondContact O-N 2.02Å; F51-L57 HydrophobicContact CD2-CD2 3.27Å; F51-L57 HydrophobicContact CE2-CD2 3.77Å; F51-L57 HydrophobicContact CG-CD2 4.27Å
52A77Confident79.5Confident77 Ų7765.2 Ų65.264%0.63636%0.357SS*.THydrogen-bonded Turntrans-55.5135.3171.600000110.2K54A52-K54 PolarHBondContact O-N 2.82Å
53D77Confident79.7Confident154 Ų15465.2 Ų65.282%0.82435%0.352SS*.THydrogen-bonded Turntrans6221.3175.5-44.5-47.4000115.7F51F51-D53 PolarHBondContact O-N 3.02Å
54K76.1Confident79.7Confident26 Ų2662.9 Ų62.911%0.11334%0.338CS..  trans-116.2119.8177.2-60.3-61.7178.3-144.20111.7D10 K50 F51 A52 S56D10-K54 HydrophobicContact CB-CD 4.19Å; D10-K54 HydrophobicContact CB-CG 3.97Å; D10-K54 VanDerWaalsContact OD2-CE 3.22Å; D10-K54 WeakPolarHBondContact OD2-CE 3.33Å; K50-K54 WeakPolarHBondContact CE-O 3.17Å; F51-K54 HydrophobicContact CB-CB 3.99Å; F51-K54 HydrophobicContact CB-CG 3.71Å; F51-K54 PolarHBondContact O-N 2.02Å; A52-K54 PolarHBondContact O-N 2.82Å; K54-S56 PolarHBondContact O-N 2.69Å
55P71.6Confident80Confident69 Ų6964.7 Ų64.745%0.44835%0.347SS..SBendtrans-77.2-10.9-175.632.8-37.5000113.2D113P55-D113 WeakPolarHBondContact CB-OD2 3.21Å
56S77.9Confident80.1Confident25 Ų2560.3 Ų60.318%0.17533%0.325CS..EExtended strand (participates in β ladder)trans-148.9141.9-171.7-56.10000111.8K54 V108 L109K54-S56 PolarHBondContact O-N 2.69Å; S56-V108 WeakPolarHBondContact CA-O 3.44Å; S56-L109 WeakPolarHBondContact OG-CD2 3.32Å
57L80.2Confident80.5Confident4 Ų465.4 Ų65.42%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-121.8137.2175.1-57172.5000109.1V8 F49 K50 F51 F59 L106 V107 V108V8-L57 HydrophobicContact CG1-CB 3.95Å; V8-L57 HydrophobicContact CG1-CD2 4.27Å; F49-L57 WeakPolarHBondContact O-CD1 3.36Å; K50-L57 HydrophobicContact CB-CD1 4.42Å; F51-L57 HydrophobicContact CD2-CD2 3.27Å; F51-L57 HydrophobicContact CE2-CD2 3.77Å; F51-L57 HydrophobicContact CG-CD2 4.27Å; L57-F59 HydrophobicContact CB-CD2 4.29Å; L57-F59 HydrophobicContact CB-CE2 3.74Å; L57-F59 HydrophobicContact CD1-CE2 4.17Å; L57-F59 HydrophobicContact CD1-CZ 4.35Å; L57-L106 VanDerWaalsContact O-O 3.05Å; L57-V107 VanDerWaalsContact O-CA 3.31Å; L57-V107 WeakPolarHBondContact O-CA 3.29Å; L57-V108 PolarHBondContact N-O 2.87Å; L57-V108 PolarHBondContact O-N 2.97Å
58F85Confident80.9Confident71 Ų7164.5 Ų64.531%0.31134%0.339SS..EExtended strand (participates in β ladder)trans-110.9103.7-179.1-60.3-81.8000109.1V8 E9 T105 L106 V107V8-F58 WeakPolarHBondContact CA-O 3.16Å; E9-F58 HydrophobicContact CB-CB 4.34Å; E9-F58 PolarHBondContact N-O 3.38Å; E9-F58 WeakPolarHBondContact O-CD2 3.49Å; E9-F58 PolarHBondContact O-N 2.77Å; F58-T105 HydrophobicContact CB-CG2 3.61Å; F58-T105 HydrophobicContact CD1-CG2 3.76Å; F58-T105 HydrophobicContact CG-CG2 4.18Å; F58-L106 WeakPolarHBondContact CA-O 3.44Å; F58-V107 HydrophobicContact CD1-CG2 3.71Å; F58-V107 HydrophobicContact CE1-CG1 4.32Å; F58-V107 HydrophobicContact CE1-CG2 3.68Å
59F87.2Confident81.2Confident34 Ų3464.4 Ų64.415%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-88.7130175.7-63.7-108.8000109.8V8 L18 F49 L57 T105 L106 V108V8-F59 HydrophobicContact CG1-CE1 4.48Å; V8-F59 HydrophobicContact CG1-CE2 4.32Å; V8-F59 HydrophobicContact CG1-CZ 4.3Å; V8-F59 HydrophobicContact CG2-CB 4.39Å; V8-F59 HydrophobicContact CG2-CD1 3.2Å; V8-F59 HydrophobicContact CG2-CD2 4.34Å; V8-F59 HydrophobicContact CG2-CE1 3.33Å; V8-F59 HydrophobicContact CG2-CE2 4.43Å; V8-F59 HydrophobicContact CG2-CG 3.73Å; V8-F59 HydrophobicContact CG2-CZ 3.96Å; L18-F59 HydrophobicContact CD1-CD1 4.28Å; L18-F59 HydrophobicContact CD1-CE1 4.24Å; F49-F59 HydrophobicContact CE1-CE1 4.06Å; F49-F59 HydrophobicContact CE1-CZ 4.36Å; F49-F59 HydrophobicContact CZ-CE1 4.11Å; F49-F59 HydrophobicContact CZ-CZ 4.34Å; L57-F59 HydrophobicContact CB-CD2 4.29Å; L57-F59 HydrophobicContact CB-CE2 3.74Å; L57-F59 HydrophobicContact CD1-CE2 4.17Å; L57-F59 HydrophobicContact CD1-CZ 4.35Å; F59-T105 VanDerWaalsContact O-CA 3.29Å; F59-T105 WeakPolarHBondContact O-CA 3.47Å; F59-L106 HydrophobicContact CB-CB 4.16Å; F59-L106 PolarHBondContact N-O 3.34Å; F59-L106 PolarHBondContact O-N 2.95Å; F59-V108 HydrophobicContact CD2-CG2 4.16Å; F59-V108 HydrophobicContact CE2-CB 4.43Å; F59-V108 HydrophobicContact CE2-CG2 3.61Å; F59-V108 HydrophobicContact CZ-CG2 4.5Å
60Q88.8Confident81.5Confident68 Ų6870.3 Ų70.332%0.31837%0.372SS..EExtended strand (participates in β ladder)trans-136.8135.1175.2-176.5176.763.600109.9C6 S7C6-Q60 CarbonylContact C-O 3.58Å; C6-Q60 VanDerWaalsContact CA-O 3.3Å; C6-Q60 WeakPolarHBondContact CA-O 3.08Å; S7-Q60 PolarHBondContact N-O 3.29Å; S7-Q60 PolarHBondContact O-N 2.86Å
61C90.1Very high81.7Confident29 Ų2967.8 Ų67.820%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-126.3145.5177.3-69.60000111V3 C6 S103V3-C61 HydrophobicContact CG1-CB 3.93Å; C6-C61 HydrophobicContact CB-CB 4.18Å; C6-C61 WeakPolarHBondContact CB-SG 3.4Å; C6-C61 WeakPolarHBondContact SG-CB 3.49Å; C6-C61 CovalentContact SG-SG 2.04Å; C6-C61 PolarHBondContact SG-SG 2.74Å; C61-S103 PolarHBondContact N-OG 3.45Å; C61-S103 PolarHBondContact O-N 2.88Å; C61-S103 PolarHBondContact O-OG 3Å
62Q90.8Very high81.7Confident44 Ų4473.4 Ų73.421%0.20640%0.403CS..EExtended strand (participates in β ladder)trans-95.4147.9167.2-55.9-174.4-7000110.2V3 H4 T5 V101 F102V3-Q62 WeakPolarHBondContact CA-O 2.88Å; H4-Q62 PolarHBondContact N-O 3.29Å; H4-Q62 CarbonylContact O-C 3.6Å; H4-Q62 VanDerWaalsContact O-C 3.3Å; H4-Q62 WeakPolarHBondContact O-CA 3.33Å; H4-Q62 WeakPolarHBondContact O-CB 3.39Å; H4-Q62 PolarHBondContact O-N 2.7Å; H4-Q62 VanDerWaalsContact O-N 3.14Å; T5-Q62 VanDerWaalsContact CG2-OE1 3.3Å; T5-Q62 PolarHBondContact O-N 3.2Å; T5-Q62 PolarHBondContact OG1-OE1 3.02Å; Q62-V101 CarbonylContact C-O 3.59Å; Q62-V101 WeakPolarHBondContact CA-O 2.83Å; Q62-F102 HydrophobicContact CG-CD1 3.82Å; Q62-F102 HydrophobicContact CG-CE1 3.65Å; Q62-F102 HydrophobicContact CG-CZ 4.44Å
63I90.6Very high81.8Confident37 Ų3770.4 Ų70.419%0.1938%0.377CS..EExtended strand (participates in β ladder)trans-133.6113.5-173.7-53.1175000107.7M1 V3 D100 V101M1-I63 HydrophobicContact CG-CG2 3.44Å; M1-I63 VanDerWaalsContact CG-CG2 3.44Å; M1-I63 HydrophobicContact SD-CG2 3.84Å; V3-I63 HydrophobicContact CG2-CG1 4.26Å; I63-D100 CarbonylContact O-C 3.59Å; I63-D100 WeakPolarHBondContact O-CA 3.45Å; I63-V101 HydrophobicContact CB-CB 4.47Å; I63-V101 PolarHBondContact N-O 3.04Å; I63-V101 PolarHBondContact O-N 2.86Å
64R85.4Confident82Confident52 Ų5270.5 Ų70.520%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-84.1120.8175.4-172.2164.1-71.8156.18.2110.7M1 T2 H4 T66 N98 D100M1-R64 CarbonylContact C-O 3.49Å; M1-R64 WeakPolarHBondContact CA-O 3.33Å; T2-R64 PolarHBondContact N-O 2.76Å; T2-R64 PolarHBondContact O-N 3.27Å; H4-R64 VanDerWaalsContact CD2-CB 3.49Å; H4-R64 WeakPolarHBondContact CD2-CB 3.49Å; H4-R64 PolarHBondContact CE1-NH2 2.73Å; H4-R64 PolarHBondContact NE2-NH2 3.23Å; R64-T66 HydrophobicContact CG-CG2 4.07Å; R64-N98 VanDerWaalsContact CD-CB 3.5Å; R64-N98 HydrophobicContact CG-CB 3.48Å; R64-N98 VanDerWaalsContact CG-CB 3.48Å; R64-D100 WeakPolarHBondContact CB-OD1 3.31Å; R64-D100 WeakPolarHBondContact CG-OD1 3.48Å; R64-D100 IonicContact CZ-OD1 3.52Å; R64-D100 IonicContact NE-OD1 3.27Å; R64-D100 PolarHBondContact NE-OD1 2.81Å; R64-D100 IonicContact NE-OD2 2.71Å; R64-D100 IonicContact NH2-OD1 2.95Å; R64-D100 IonicContact NH2-OD2 3.51Å; R64-D100 PolarHBondContact NH2-OD2 3.22Å
65L85.8Confident82.4Confident79 Ų7970.7 Ų70.741%0.41437%0.37SS..EExtended strand (participates in β ladder)trans-86.8127.9169.5-60.4-179.1000109.2M1 I99 V101M1-L65 HydrophobicContact CB-CD2 4.32Å; M1-L65 HydrophobicContact CG-CD2 4.02Å; L65-I99 PolarHBondContact N-O 2.87Å; L65-V101 HydrophobicContact CD1-CG2 3.76Å; L65-V101 HydrophobicContact CG-CG2 4.08Å
66T81.6Confident82.9Confident40 Ų4069.5 Ų69.525%0.24536%0.361CS..  trans-128.2144.8178.852.30000109M1 R64M1-T66 PolarHBondContact N-OG1 2.71Å; R64-T66 HydrophobicContact CG-CG2 4.07Å
67L83.2Confident83.1Confident162 Ų16268.9 Ų68.985%0.84836%0.357SS*.  trans-72.1143.2171.1-66.7175.8000109.9T69L67-T69 PolarHBondContact O-N 3.38Å
68K79.3Confident83.1Confident111 Ų11173.4 Ų73.448%0.48338%0.381SS..  trans-78.8115.8175.3-172.4171.2-175.3167.20108.4D39 G71D39-K68 IonicContact OD2-NZ 3.97Å; D39-K68 PolarHBondContact OD2-NZ 3.2Å; K68-G71 WeakPolarHBondContact CE-O 3.43Å
69T76.5Confident82.8Confident92 Ų9275.6 Ų75.656%0.56439%0.393SS*.BIsolated β-bridgetrans-105.9131.2177.1-52.40000108.4L67 G71 Q72L67-T69 PolarHBondContact O-N 3.38Å; T69-G71 PolarHBondContact O-N 3.11Å; T69-G71 VanDerWaalsContact O-N 3.11Å; T69-Q72 PolarHBondContact N-O 2.9Å; T69-Q72 PolarHBondContact O-N 2.94Å
70D79.6Confident82.5Confident161 Ų16175.2 Ų75.286%0.86139%0.394SS*.THydrogen-bonded Turntrans51.836.7177.1-54.5-31.1000114.8Q72D70-Q72 PolarHBondContact O-N 2.84Å
71G77.5Confident81.4Confident52 Ų5280 Ų8054%0.53642%0.416SS..THydrogen-bonded Turntrans76.92.2177.700000114.9K68 T69K68-G71 WeakPolarHBondContact CE-O 3.43Å; T69-G71 PolarHBondContact O-N 3.11Å; T69-G71 VanDerWaalsContact O-N 3.11Å
72Q75Confident79.9Confident155 Ų15583.1 Ų83.172%0.72444%0.438SS*.BIsolated β-bridgetrans-124.2139.4179.3-63.2-176.6-12.300111.4T69 D70T69-Q72 PolarHBondContact N-O 2.9Å; T69-Q72 PolarHBondContact O-N 2.94Å; D70-Q72 PolarHBondContact O-N 2.84Å
73C79.8Confident78.3Confident14 Ų1487.4 Ų87.410%0.09546%0.461CS..  trans-94.1102.6168.2-66.80000108R75C73-R75 PolarHBondContact O-N 2.77Å
74K80.1Confident76.3Confident156 Ų15694.6 Ų94.668%0.67849%0.491SS*.  trans-67.8116.2170.9-173.1177179.9-176.10108.8E79K74-E79 WeakPolarHBondContact CE-OE1 3.15Å; K74-E79 IonicContact NZ-OE1 3.33Å; K74-E79 PolarHBondContact NZ-OE1 2.82Å
75R83.8Confident74.7Confident29 Ų29103.4 Ų103.411%0.10953%0.525CS..  trans-100.7145.7176.2-55-178.5175.279.5-2.2109.4M1 T2 D39 C73 S77 D78M1-R75 PolarHBondContact O-NE 3.34Å; M1-R75 VanDerWaalsContact O-NE 3.15Å; T2-R75 HydrophobicContact CG2-CB 4.01Å; T2-R75 WeakPolarHBondContact OG1-CB 3.09Å; T2-R75 WeakPolarHBondContact OG1-CG 3.04Å; D39-R75 IonicContact OD1-NH2 3.55Å; C73-R75 PolarHBondContact O-N 2.77Å; R75-S77 PolarHBondContact O-N 2.97Å; R75-D78 WeakPolarHBondContact CB-OD2 3.38Å; R75-D78 PolarHBondContact N-OD2 2.75Å; R75-D78 PolarHBondContact O-N 2.74Å
76T82.4Confident73.3Confident44 Ų44108.3 Ų108.327%0.2755%0.55SS.*G310 helixtrans-68.1-26171.248.50000111.6N22 D78 E79N22-T76 CarbonylContact O-C 3.58Å; N22-T76 VanDerWaalsContact O-CB 3.22Å; N22-T76 WeakPolarHBondContact O-CB 3.45Å; N22-T76 PolarHBondContact O-OG1 2.92Å; T76-D78 VanDerWaalsContact C-N 3.25Å; T76-D78 PolarHBondContact O-N 3.02Å; T76-E79 PolarHBondContact O-N 2.93Å
77S82.4Confident71.9Confident13 Ų13114.1 Ų114.19%0.09157%0.572CS.*G310 helixtrans-71.5-16.9177.9-171.90000113N22 G23 R75 E79 C80N22-S77 WeakPolarHBondContact O-CA 3.3Å; N22-S77 PolarHBondContact O-N 2.94Å; G23-S77 WeakPolarHBondContact O-CB 3.3Å; G23-S77 PolarHBondContact O-OG 3.14Å; R75-S77 PolarHBondContact O-N 2.97Å; S77-E79 PolarHBondContact O-N 2.94Å; S77-C80 VanDerWaalsContact C-SG 3.58Å; S77-C80 VanDerWaalsContact CA-SG 3.55Å; S77-C80 WeakPolarHBondContact O-CB 3.36Å; S77-C80 PolarHBondContact O-N 2.87Å; S77-C80 PolarHBondContact O-SG 2.86Å
78D80.5Confident70.5Confident98 Ų98117.9 Ų117.952%0.52458%0.575SS.*G310 helixtrans-69.4-23.6178.3-58.6-29.4000111.8R75 T76 C80R75-D78 WeakPolarHBondContact CB-OD2 3.38Å; R75-D78 PolarHBondContact N-OD2 2.75Å; R75-D78 PolarHBondContact O-N 2.74Å; T76-D78 VanDerWaalsContact C-N 3.25Å; T76-D78 PolarHBondContact O-N 3.02Å; D78-C80 PolarHBondContact O-N 2.79Å
79E79.5Confident69.2Low118 Ų118118.7 Ų118.755%0.55158%0.581SS**G310 helixtrans-86.17.7-179.5-62.4177.7-177.400112.4K74 T76 S77 H81K74-E79 WeakPolarHBondContact CE-OE1 3.15Å; K74-E79 IonicContact NZ-OE1 3.33Å; K74-E79 PolarHBondContact NZ-OE1 2.82Å; T76-E79 PolarHBondContact O-N 2.93Å; S77-E79 PolarHBondContact O-N 2.94Å; E79-H81 PolarHBondContact O-N 2.88Å
80C79.4Confident68.1Low25 Ų25120.4 Ų120.417%0.16959%0.59CS.*  trans-72.871.5177-56.30000111.5C24 S77 D78 S82C24-C80 WeakPolarHBondContact CA-SG 3.28Å; C24-C80 HydrophobicContact CB-CB 3.85Å; C24-C80 WeakPolarHBondContact CB-SG 3.49Å; C24-C80 VanDerWaalsContact SG-CA 3.51Å; C24-C80 WeakPolarHBondContact SG-CB 3.28Å; C24-C80 CovalentContact SG-SG 2.02Å; C24-C80 PolarHBondContact SG-SG 2.04Å; S77-C80 VanDerWaalsContact C-SG 3.58Å; S77-C80 VanDerWaalsContact CA-SG 3.55Å; S77-C80 WeakPolarHBondContact O-CB 3.36Å; S77-C80 PolarHBondContact O-N 2.87Å; S77-C80 PolarHBondContact O-SG 2.86Å; D78-C80 PolarHBondContact O-N 2.79Å; C80-S82 PolarHBondContact O-N 2.78Å
81H66.3Low67.1Low170 Ų170116.8 Ų116.879%0.78758%0.578SS**  trans-65.1122.2166.5-73-75.2000108.7E79 L83E79-H81 PolarHBondContact O-N 2.88Å; H81-L83 PolarHBondContact O-N 2.83Å; H81-L83 VanDerWaalsContact O-N 3.12Å
82S59.2Low66Low94 Ų94119.3 Ų119.366%0.65759%0.588SS**  trans-35.7120.1177.863.80000110C80 K84C80-S82 PolarHBondContact O-N 2.78Å; S82-K84 PolarHBondContact O-N 3.23Å
83L56Low64.9Low133 Ų133120.3 Ų120.370%0.69659%0.589SS**  trans-32.452.5-173.8-60.9167.1000117.8H81 R85H81-L83 PolarHBondContact O-N 2.83Å; H81-L83 VanDerWaalsContact O-N 3.12Å; L83-R85 PolarHBondContact O-N 2.75Å; L83-R85 VanDerWaalsContact O-N 3.12Å
84K49.4Very low63.6Low188 Ų188129.2 Ų129.282%0.81763%0.626SS**  trans-87.987.6174-79-169.2180-178.20105.7S82S82-K84 PolarHBondContact O-N 3.23Å
85R52.6Low62.2Low238 Ų238131.7 Ų131.790%0.89864%0.637SS**  trans70.1115.2163.3-154.3171.8176.4149.6-1.1112.9L83 K87L83-R85 PolarHBondContact O-N 2.75Å; L83-R85 VanDerWaalsContact O-N 3.12Å; R85-K87 PolarHBondContact O-N 3.04Å
86L55.1Low60.9Low182 Ų182132.2 Ų132.295%0.95365%0.652SS**  trans-52.884.4167.3-72.3155.2000110.1
87K53.1Low60.2Low161 Ų161139.4 Ų139.470%0.768%0.683SS**  trans-80.8114.4155.3-164.6-179.5178-148.40104.4R85 E89R85-K87 PolarHBondContact O-N 3.04Å; K87-E89 VanDerWaalsContact CD-OE1 3.3Å; K87-E89 WeakPolarHBondContact CD-OE1 3.47Å; K87-E89 WeakPolarHBondContact CE-OE1 3.46Å; K87-E89 IonicContact NZ-OE1 3.64Å; K87-E89 PolarHBondContact NZ-OE1 3.33Å; K87-E89 PolarHBondContact O-N 3.14Å
88R52.3Low59.7Low242 Ų242142 Ų14291%0.91370%0.696SS**  trans-60.688.2167.3-87.1-176.3165.2118.7-4.4107.2
89E53.1Low59.8Low128 Ų128142.9 Ų142.960%0.59870%0.699SS**  trans-80.9119.1159.6-71.2-64.3154.100105.7K87 S91K87-E89 VanDerWaalsContact CD-OE1 3.3Å; K87-E89 WeakPolarHBondContact CD-OE1 3.47Å; K87-E89 WeakPolarHBondContact CE-OE1 3.46Å; K87-E89 IonicContact NZ-OE1 3.64Å; K87-E89 PolarHBondContact NZ-OE1 3.33Å; K87-E89 PolarHBondContact O-N 3.14Å; E89-S91 PolarHBondContact O-N 3.49Å
90V52.4Low60Low127 Ų127140.2 Ų140.277%0.7769%0.688SS**  trans-69.385.9167.6178.70000105S92V90-S92 PolarHBondContact O-N 3.33Å
91S59.1Low60.5Low85 Ų85142 Ų14259%0.59470%0.698SS**  trans-62.2108170.71000000105.8E89 K93E89-S91 PolarHBondContact O-N 3.49Å; S91-K93 PolarHBondContact O-N 2.95Å
92S54.6Low61.6Low106 Ų106139.5 Ų139.574%0.74169%0.685SS**  trans-62.4105.4176.8-70.40000105.7V90 K94V90-S92 PolarHBondContact O-N 3.33Å; S92-K94 VanDerWaalsContact C-N 3.3Å; S92-K94 PolarHBondContact O-N 3.33Å
93K52.6Low62.8Low176 Ų176136.7 Ų136.777%0.76567%0.666SS**  trans-5694.7176.6-74.6-177175.9-175.70108.5S91 K95S91-K93 PolarHBondContact O-N 2.95Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 PolarHBondContact O-N 3.48Å
94K51.6Low64.1Low200 Ų200136 Ų13687%0.8766%0.663SS**  trans-67.2102.4152.9-78.6-171.6177.7175.90104.7S92 G96S92-K94 VanDerWaalsContact C-N 3.3Å; S92-K94 PolarHBondContact O-N 3.33Å; K94-G96 PolarHBondContact O-N 3.27Å
95K51.1Low65.5Low208 Ų208130.3 Ų130.390%0.90464%0.644SS**  trans-65.469.5165.9-171.3-175.3179.6-174.40107.2K93K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 PolarHBondContact O-N 3.48Å
96G55.8Low66.8Low41 Ų41123.8 Ų123.842%0.42363%0.626SS.*  trans-65.2134.1164.300000106.9K94 N98K94-G96 PolarHBondContact O-N 3.27Å; G96-N98 PolarHBondContact O-N 2.82Å
97E67.8Low67.8Low195 Ų195118.6 Ų118.691%0.91160%0.602SS**  trans-69.175.6166.7-172.2175.9-176.200107.6
98N72.2Confident68.8Low68 Ų68113.6 Ų113.636%0.36459%0.585SS.*PPolyproline II helixtrans-94.8140.6170-55.7-62.3000107.9R64 G96R64-N98 VanDerWaalsContact CD-CB 3.5Å; R64-N98 HydrophobicContact CG-CB 3.48Å; R64-N98 VanDerWaalsContact CG-CB 3.48Å; G96-N98 PolarHBondContact O-N 2.82Å
99I82.8Confident69.7Low116 Ų116107.6 Ų107.660%0.59557%0.57SS**EExtended strand (participates in β ladder)trans-87.7118.9176.9-59.1168.9000107.2L65 V101L65-I99 PolarHBondContact N-O 2.87Å; I99-V101 HydrophobicContact CG2-CG2 4.38Å
100D84.2Confident70.2Confident61 Ų61103.8 Ų103.833%0.32655%0.554SS.*EExtended strand (participates in β ladder)trans-96.2125.2174.3-67.9-10.4000108.9H4 I63 R64H4-D100 IonicContact CE1-OD2 3.87Å; H4-D100 IonicContact NE2-OD1 2.7Å; H4-D100 PolarHBondContact NE2-OD1 3.3Å; H4-D100 IonicContact NE2-OD2 3.16Å; I63-D100 CarbonylContact O-C 3.59Å; I63-D100 WeakPolarHBondContact O-CA 3.45Å; R64-D100 WeakPolarHBondContact CB-OD1 3.31Å; R64-D100 WeakPolarHBondContact CG-OD1 3.48Å; R64-D100 IonicContact CZ-OD1 3.52Å; R64-D100 IonicContact NE-OD1 3.27Å; R64-D100 PolarHBondContact NE-OD1 2.81Å; R64-D100 IonicContact NE-OD2 2.71Å; R64-D100 IonicContact NH2-OD1 2.95Å; R64-D100 IonicContact NH2-OD2 3.51Å; R64-D100 PolarHBondContact NH2-OD2 3.22Å
101V90.2Very high70.7Confident62 Ų62104.3 Ų104.338%0.37656%0.557SS.*EExtended strand (participates in β ladder)trans-108.2141.4178.5-176.90000108.6Q62 I63 L65 I99Q62-V101 CarbonylContact C-O 3.59Å; Q62-V101 WeakPolarHBondContact CA-O 2.83Å; I63-V101 HydrophobicContact CB-CB 4.47Å; I63-V101 PolarHBondContact N-O 3.04Å; I63-V101 PolarHBondContact O-N 2.86Å; L65-V101 HydrophobicContact CD1-CG2 3.76Å; L65-V101 HydrophobicContact CG-CG2 4.08Å; I99-V101 HydrophobicContact CG2-CG2 4.38Å
102F88.6Confident70.7Confident118 Ų118107.6 Ų107.652%0.51857%0.568SS.*EExtended strand (participates in β ladder)trans-93.5137.8174.9-66.6-91.2000110.5Q62Q62-F102 HydrophobicContact CG-CD1 3.82Å; Q62-F102 HydrophobicContact CG-CE1 3.65Å; Q62-F102 HydrophobicContact CG-CZ 4.44Å
103S85.2Confident70.6Confident36 Ų36106.4 Ų106.425%0.25255%0.553SS.*PPolyproline II helixtrans-72.6157.5170.175.10000111.2C61C61-S103 PolarHBondContact N-OG 3.45Å; C61-S103 PolarHBondContact O-N 2.88Å; C61-S103 PolarHBondContact O-OG 3Å
104D82.2Confident70.3Confident117 Ų117101 Ų10163%0.62655%0.548SS*.PPolyproline II helixtrans-56.7146162.5-71.3-10.7000110.2L106 R146D104-L106 PolarHBondContact O-N 2.94Å; D104-R146 IonicContact OD2-NH2 2.76Å
105T79.1Confident70.2Confident70 Ų70100 Ų10043%0.42954%0.54SS..PPolyproline II helixtrans-75.3122.9174.4-52.90000110.2F58 F59F58-T105 HydrophobicContact CB-CG2 3.61Å; F58-T105 HydrophobicContact CD1-CG2 3.76Å; F58-T105 HydrophobicContact CG-CG2 4.18Å; F59-T105 VanDerWaalsContact O-CA 3.29Å; F59-T105 WeakPolarHBondContact O-CA 3.47Å
106L79.2Confident69.8Low101 Ų10193.9 Ų93.953%0.52954%0.536SS..EExtended strand (participates in β ladder)trans-89.9128.8172.9-57.5166.3000109.3L57 F58 F59 D104L57-L106 VanDerWaalsContact O-O 3.05Å; F58-L106 WeakPolarHBondContact CA-O 3.44Å; F59-L106 HydrophobicContact CB-CB 4.16Å; F59-L106 PolarHBondContact N-O 3.34Å; F59-L106 PolarHBondContact O-N 2.95Å; D104-L106 PolarHBondContact O-N 2.94Å
107V77.2Confident69Low73 Ų73101.5 Ų101.544%0.44256%0.557SS.*EExtended strand (participates in β ladder)trans-106.4117.1176.2-172.90000109.2L57 F58 L109L57-V107 VanDerWaalsContact O-CA 3.31Å; L57-V107 WeakPolarHBondContact O-CA 3.29Å; F58-V107 HydrophobicContact CD1-CG2 3.71Å; F58-V107 HydrophobicContact CE1-CG1 4.32Å; F58-V107 HydrophobicContact CE1-CG2 3.68Å; V107-L109 HydrophobicContact CG1-CD2 3.7Å; V107-L109 HydrophobicContact CG1-CG 4.24Å
108V73.7Confident67.9Low55 Ų5598.4 Ų98.433%0.33354%0.544SS..EExtended strand (participates in β ladder)trans-94.8123.1170.5-177.70000107.8V48 S56 L57 F59V48-V108 HydrophobicContact CG1-CG1 4.03Å; S56-V108 WeakPolarHBondContact CA-O 3.44Å; L57-V108 PolarHBondContact N-O 2.87Å; L57-V108 PolarHBondContact O-N 2.97Å; F59-V108 HydrophobicContact CD2-CG2 4.16Å; F59-V108 HydrophobicContact CE2-CB 4.43Å; F59-V108 HydrophobicContact CE2-CG2 3.61Å; F59-V108 HydrophobicContact CZ-CG2 4.5Å
109L71Confident66.3Low116 Ų116100.3 Ų100.361%0.60756%0.561SS**EExtended strand (participates in β ladder)trans-107.4142.3177.7-58.7177.1000109.5S56 V107S56-L109 WeakPolarHBondContact OG-CD2 3.32Å; V107-L109 HydrophobicContact CG1-CD2 3.7Å; V107-L109 HydrophobicContact CG1-CG 4.24Å
110D64.2Low64.3Low49 Ų49100 Ų10026%0.26258%0.575SS.*  trans-71.1140.2170.1-64.6-74.4000111.3K50 D112K50-D110 WeakPolarHBondContact CD-OD1 3.34Å; K50-D110 WeakPolarHBondContact CE-OD1 3.23Å; K50-D110 WeakPolarHBondContact CE-OD2 3.44Å; K50-D110 IonicContact NZ-OD1 3Å; K50-D110 PolarHBondContact NZ-OD1 2.74Å; K50-D110 IonicContact NZ-OD2 2.6Å; K50-D110 PolarHBondContact NZ-OD2 2.93Å; D110-D112 VanDerWaalsContact C-N 3.31Å
111V63.2Low62.2Low137 Ų137106.2 Ų106.283%0.8360%0.599SS**SBendtrans-74.8-25.7178.4-178.60000111.4D113V111-D113 VanDerWaalsContact C-N 3.31Å; V111-D113 PolarHBondContact O-N 2.89Å
112D57.2Low59.9Low154 Ų154114.7 Ų114.782%0.82463%0.625SS**SBendtrans-76.4-17.1-175.7-62.1-41.6000113.5D110 G114D110-D112 VanDerWaalsContact C-N 3.31Å; D112-G114 PolarHBondContact O-N 2.9Å
113D53.1Low57.7Low81 Ų81115.9 Ų115.943%0.43364%0.636SS.*SBendtrans-78.662.4176.2-71.4-23.1000110.8P55 V111 Y115P55-D113 WeakPolarHBondContact CB-OD2 3.21Å; V111-D113 VanDerWaalsContact C-N 3.31Å; V111-D113 PolarHBondContact O-N 2.89Å; D113-Y115 VanDerWaalsContact O-CD2 3.23Å; D113-Y115 WeakPolarHBondContact O-CD2 3.35Å; D113-Y115 PolarHBondContact O-N 2.87Å
114G47.2Very low56.2Low64 Ų64119.3 Ų119.366%0.6666%0.66SS**  trans50.94.914700000121.7D112 G116 K117D112-G114 PolarHBondContact O-N 2.9Å; G114-G116 PolarHBondContact O-N 2.83Å; G114-K117 PolarHBondContact O-N 3.45Å
115Y49.2Very low54.7Low179 Ų179119.3 Ų119.370%0.70265%0.652SS**G310 helixtrans-75.59.2-176.1-92-88.2000113.8D113 K117 M118D113-Y115 VanDerWaalsContact O-CD2 3.23Å; D113-Y115 WeakPolarHBondContact O-CD2 3.35Å; D113-Y115 PolarHBondContact O-N 2.87Å; Y115-K117 PolarHBondContact O-N 3.37Å; Y115-M118 HydrophobicContact CD1-CB 4.09Å; Y115-M118 HydrophobicContact CD1-CE 4.44Å; Y115-M118 HydrophobicContact CD1-SD 4.08Å; Y115-M118 HydrophobicContact CE1-CB 4.36Å; Y115-M118 HydrophobicContact CE1-CE 3.69Å; Y115-M118 HydrophobicContact CE1-CG 4.49Å; Y115-M118 HydrophobicContact CE1-SD 3.37Å; Y115-M118 WeakPolarHBondContact CE1-SD 3.31Å
116G43.4Very low53.2Low79 Ų79118.3 Ų118.381%0.81465%0.648SS**G310 helixtrans-70.1-5.8166.100000114.7G114G114-G116 PolarHBondContact O-N 2.83Å
117K38.7Very low51.8Low200 Ų200116.3 Ų116.387%0.8764%0.64SS**G310 helixtrans-141.167.3171.1-64.5-174.6-177.3177.40111.8G114 Y115G114-K117 PolarHBondContact O-N 3.45Å; Y115-K117 PolarHBondContact O-N 3.37Å
118M44.4Very low51.1Low130 Ų130117 Ų11764%0.6464%0.638SS**  trans-104.8119.8162.3-156.6158.287.400110.8Y115 A120Y115-M118 HydrophobicContact CD1-CB 4.09Å; Y115-M118 HydrophobicContact CD1-CE 4.44Å; Y115-M118 HydrophobicContact CD1-SD 4.08Å; Y115-M118 HydrophobicContact CE1-CB 4.36Å; Y115-M118 HydrophobicContact CE1-CE 3.69Å; Y115-M118 HydrophobicContact CE1-CG 4.49Å; Y115-M118 HydrophobicContact CE1-SD 3.37Å; Y115-M118 WeakPolarHBondContact CE1-SD 3.31Å; M118-A120 PolarHBondContact O-N 2.6Å
119P37.8Very low50.4Low109 Ų109121.3 Ų121.371%0.70865%0.65SS**  trans-68.7132.7-173.326.9-33.2000110.9K121P119-K121 PolarHBondContact O-N 3.33Å
120A41.8Very low50.1Low108 Ų108120.9 Ų120.989%0.89364%0.643SS**  trans-59.596.8169.200000110.1M118M118-A120 PolarHBondContact O-N 2.6Å
121K39Very low50.3Low192 Ų192125.3 Ų125.384%0.83566%0.66SS**  trans-133.9111.7165.6-95.8-170.5177.4179.80112.3P119P119-K121 PolarHBondContact O-N 3.33Å
122R42.1Very low50.1Low241 Ų241121.3 Ų121.391%0.90964%0.641SS**  trans44.890.9144.7-92.3178.1174.5179.8-1.2117.3
123N42.5Very low50.2Low142 Ų142119.4 Ų119.476%0.75963%0.63SS**  -146.7147.4116-94.9-10.3000107.8Y125N123-Y125 VanDerWaalsContact C-N 3.26Å; N123-Y125 HydrophobicContact CB-CD2 4.35Å; N123-Y125 PolarHBondContact O-N 2.87Å
124S53.2Low50.5Low109 Ų109119.8 Ų119.876%0.76263%0.63SS**SBendtrans-70.173.8-172.254.80000112.2
125Y51.9Low51.2Low117 Ų117123.9 Ų123.946%0.45963%0.629SS.*  trans-140.7131.7166.8-60.5-82000107.6N123 D151N123-Y125 VanDerWaalsContact C-N 3.26Å; N123-Y125 HydrophobicContact CB-CD2 4.35Å; N123-Y125 PolarHBondContact O-N 2.87Å; Y125-D151 WeakPolarHBondContact CD1-OD1 3.22Å; Y125-D151 VanDerWaalsContact CE1-OD1 3.22Å; Y125-D151 WeakPolarHBondContact CE1-OD1 3.18Å
126S48.2Very low51.5Low48 Ų48117 Ų11734%0.33661%0.605SS.*EExtended strand (participates in β ladder)trans-74.1132.7168.936.80000109.5L150S126-L150 PolarHBondContact O-N 3.2Å; S126-L150 PolarHBondContact OG-O 3.38Å
127V48.3Very low51.6Low60 Ų60123.3 Ų123.336%0.36461%0.61SS.*EExtended strand (participates in β ladder)trans-107.4119.8174.7-179.20000107.8Y129 K147V127-Y129 HydrophobicContact CB-CE2 4.34Å; V127-Y129 HydrophobicContact CG1-CD2 4.35Å; V127-Y129 HydrophobicContact CG1-CE1 4.18Å; V127-Y129 HydrophobicContact CG1-CE2 3.73Å; V127-K147 HydrophobicContact CG1-CD 4.12Å; V127-K147 HydrophobicContact CG1-CG 3.52Å
128E62.5Low53.1Low86 Ų86120.3 Ų120.340%0.40260%0.599SS.*EExtended strand (participates in β ladder)trans-102.2139.8172.4-168.1-177.2-173.200109.9Q148 L150E128-Q148 PolarHBondContact N-O 3.38Å; E128-Q148 PolarHBondContact O-N 3.46Å; E128-L150 HydrophobicContact CB-CD1 3.74Å; E128-L150 HydrophobicContact CB-CG 4.33Å
129Y58.9Low53.6Low146 Ų146116.1 Ų116.157%0.57359%0.589SS**EExtended strand (participates in β ladder)trans-111.1114.3178.6-63.3-89.3000109.4V127 I145 R146 K147V127-Y129 HydrophobicContact CB-CE2 4.34Å; V127-Y129 HydrophobicContact CG1-CD2 4.35Å; V127-Y129 HydrophobicContact CG1-CE1 4.18Å; V127-Y129 HydrophobicContact CG1-CE2 3.73Å; Y129-I145 HydrophobicContact CD1-CG2 3.85Å; Y129-I145 HydrophobicContact CG-CG2 4.32Å; Y129-R146 WeakPolarHBondContact CA-O 3.14Å; Y129-K147 HydrophobicContact CD1-CB 4.47Å; Y129-K147 HydrophobicContact CE1-CB 4.36Å; Y129-K147 HydrophobicContact CE1-CG 4.07Å
130K64.4Low55.2Low107 Ų107118 Ų11847%0.46558%0.583SS.*EExtended strand (participates in β ladder)trans-93.6119.1173.1-70.9-168.7179.7161.20110.2R146K130-R146 PolarHBondContact N-O 2.68Å; K130-R146 PolarHBondContact O-N 3.2Å
131K69.2Low56.5Low143 Ų143117.9 Ų117.962%0.62257%0.567SS**EExtended strand (participates in β ladder)trans-92.7122.4179.1-170.5175.3168.8169.90109.5T143 A144K131-T143 HydrophobicContact CD-CG2 3.77Å; K131-T143 HydrophobicContact CG-CG2 3.41Å; K131-T143 VanDerWaalsContact CG-CG2 3.41Å; K131-A144 CarbonylContact C-O 3.51Å; K131-A144 WeakPolarHBondContact CA-O 3.22Å
132A58.3Low57.4Low52 Ų52112.4 Ų112.443%0.4355%0.546SS..EExtended strand (participates in β ladder)trans-110.9131.3168.300000108.9T143 A144A132-T143 CarbonylContact O-C 3.45Å; A132-T143 WeakPolarHBondContact O-CA 3.37Å; A132-A144 HydrophobicContact CB-CB 4.41Å; A132-A144 PolarHBondContact N-O 3.38Å; A132-A144 PolarHBondContact O-N 3.02Å
133I60.6Low58.2Low115 Ų115104.2 Ų104.259%0.5952%0.523SS*.EExtended strand (participates in β ladder)trans-95.6112.6174.2-55.2178000107N141 L142I133-N141 HydrophobicContact CG2-CB 3.89Å; I133-L142 CarbonylContact C-O 3.3Å; I133-L142 WeakPolarHBondContact CA-O 3.23Å
134M59.5Low59.2Low89 Ų8999.2 Ų99.244%0.43850%0.501SS..EExtended strand (participates in β ladder)trans-101.8167.8171.6-55.9-178.9-53.100108.4N141 L142 A144M134-N141 CarbonylContact O-C 3.53Å; M134-N141 WeakPolarHBondContact O-CA 3.43Å; M134-L142 CarbonylContact C-O 3.53Å; M134-L142 HydrophobicContact CB-CB 4.23Å; M134-L142 PolarHBondContact N-O 3.34Å; M134-L142 PolarHBondContact O-N 3.44Å; M134-A144 HydrophobicContact CE-CB 3.61Å; M134-A144 HydrophobicContact SD-CB 4.1Å
135K61.9Low59.7Low149 Ų14999.2 Ų99.265%0.64849%0.492SS*.EExtended strand (participates in β ladder)trans-120.3143.6172.4-72.7-173.2176-177.60109.8R140 N141K135-R140 CarbonylContact C-O 3.12Å; K135-R140 VanDerWaalsContact CA-O 3.27Å; K135-R140 WeakPolarHBondContact CA-O 3.48Å; K135-N141 WeakPolarHBondContact CE-OD1 2.96Å
136D54.6Low60.5Low36 Ų3699.7 Ų99.719%0.19349%0.493CS..  trans-80.9179.6168.776.92.2000111.7Q138 G139 R140 L142D136-Q138 PolarHBondContact O-N 2.84Å; D136-Q138 VanDerWaalsContact OD1-C 3.3Å; D136-Q138 VanDerWaalsContact OD1-CA 3.31Å; D136-Q138 WeakPolarHBondContact OD1-CA 2.78Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.44Å; D136-Q138 PolarHBondContact OD1-N 3.02Å; D136-G139 PolarHBondContact O-N 3.45Å; D136-G139 PolarHBondContact OD1-N 3.01Å; D136-R140 PolarHBondContact N-O 2.63Å; D136-R140 WeakPolarHBondContact OD1-CA 3.36Å; D136-R140 WeakPolarHBondContact OD1-CB 3.48Å; D136-R140 PolarHBondContact OD1-N 3.01Å; D136-R140 IonicContact OD1-NE 2.9Å; D136-R140 IonicContact OD2-CZ 2.73Å; D136-R140 IonicContact OD2-NE 3.75Å; D136-R140 PolarHBondContact OD2-NE 3.39Å; D136-R140 IonicContact OD2-NH2 3.75Å; D136-R140 PolarHBondContact OD2-NH2 3.34Å; D136-L142 HydrophobicContact CB-CD1 3.82Å; D136-L142 HydrophobicContact CB-CG 4.05Å
137F45.7Very low60.8Low210 Ų210104 Ų10492%0.92151%0.506SS*.THydrogen-bonded Turntrans-62.7-23.3178.5-174.2-101000113.8G139F137-G139 VanDerWaalsContact C-N 3.27Å
138Q70.5Confident61.6Low137 Ų137103.8 Ų103.864%0.6450%0.5SS*.THydrogen-bonded Turntrans-88.85.7175.4-63.3-172.6-24.100112.3D136 R140D136-Q138 PolarHBondContact O-N 2.84Å; D136-Q138 VanDerWaalsContact OD1-C 3.3Å; D136-Q138 VanDerWaalsContact OD1-CA 3.31Å; D136-Q138 WeakPolarHBondContact OD1-CA 2.78Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.44Å; D136-Q138 PolarHBondContact OD1-N 3.02Å; Q138-R140 HydrophobicContact CB-CG 4.19Å; Q138-R140 PolarHBondContact O-N 2.87Å
139G54.5Low61.7Low42 Ų42105.5 Ų105.543%0.43351%0.506SS..SBendtrans74.110.7-176.900000114.1D136 F137D136-G139 PolarHBondContact O-N 3.45Å; D136-G139 PolarHBondContact OD1-N 3.01Å; F137-G139 VanDerWaalsContact C-N 3.27Å
140R71.8Confident61.4Low149 Ų149102.2 Ų102.256%0.56250%0.498SS*.  trans-76.7136.8176.6-57.3179.6-65.3-169.4-1.4109.3K135 D136 Q138 L142K135-R140 CarbonylContact C-O 3.12Å; K135-R140 VanDerWaalsContact CA-O 3.27Å; K135-R140 WeakPolarHBondContact CA-O 3.48Å; D136-R140 PolarHBondContact N-O 2.63Å; D136-R140 WeakPolarHBondContact OD1-CA 3.36Å; D136-R140 WeakPolarHBondContact OD1-CB 3.48Å; D136-R140 PolarHBondContact OD1-N 3.01Å; D136-R140 IonicContact OD1-NE 2.9Å; D136-R140 IonicContact OD2-CZ 2.73Å; D136-R140 IonicContact OD2-NE 3.75Å; D136-R140 PolarHBondContact OD2-NE 3.39Å; D136-R140 IonicContact OD2-NH2 3.75Å; D136-R140 PolarHBondContact OD2-NH2 3.34Å; Q138-R140 HydrophobicContact CB-CG 4.19Å; Q138-R140 PolarHBondContact O-N 2.87Å; R140-L142 PolarHBondContact O-N 3.32Å
141N69.1Low61.5Low106 Ų106102 Ų10257%0.56750%0.502SS*.EExtended strand (participates in β ladder)trans-68.6115.3178.6-67-35.4000110.1I133 M134 K135I133-N141 HydrophobicContact CG2-CB 3.89Å; M134-N141 CarbonylContact O-C 3.53Å; M134-N141 WeakPolarHBondContact O-CA 3.43Å; K135-N141 WeakPolarHBondContact CE-OD1 2.96Å
142L56.8Low61Low77 Ų77105.3 Ų105.340%0.40353%0.526SS..EExtended strand (participates in β ladder)trans-89.9138.9163.5-65176.9000108.6I133 M134 D136 R140I133-L142 CarbonylContact C-O 3.3Å; I133-L142 WeakPolarHBondContact CA-O 3.23Å; M134-L142 CarbonylContact C-O 3.53Å; M134-L142 HydrophobicContact CB-CB 4.23Å; M134-L142 PolarHBondContact N-O 3.34Å; M134-L142 PolarHBondContact O-N 3.44Å; D136-L142 HydrophobicContact CB-CD1 3.82Å; D136-L142 HydrophobicContact CB-CG 4.05Å; R140-L142 PolarHBondContact O-N 3.32Å
143T59.1Low61.1Low69 Ų69108 Ų10842%0.42353%0.531SS..EExtended strand (participates in β ladder)trans-108.5115.4174.6-650000108.7K131 A132 I145K131-T143 HydrophobicContact CD-CG2 3.77Å; K131-T143 HydrophobicContact CG-CG2 3.41Å; K131-T143 VanDerWaalsContact CG-CG2 3.41Å; A132-T143 CarbonylContact O-C 3.45Å; A132-T143 WeakPolarHBondContact O-CA 3.37Å; T143-I145 HydrophobicContact CG2-CD1 4.35Å; T143-I145 HydrophobicContact CG2-CG1 3.79Å
144A63.6Low61.2Low36 Ų36107.6 Ų107.630%0.29853%0.528SS..EExtended strand (participates in β ladder)trans-89.7129.6163.600000109.2K131 A132 M134K131-A144 CarbonylContact C-O 3.51Å; K131-A144 WeakPolarHBondContact CA-O 3.22Å; A132-A144 HydrophobicContact CB-CB 4.41Å; A132-A144 PolarHBondContact N-O 3.38Å; A132-A144 PolarHBondContact O-N 3.02Å; M134-A144 HydrophobicContact CE-CB 3.61Å; M134-A144 HydrophobicContact SD-CB 4.1Å
145I63.4Low61.3Low109 Ų109108.7 Ų108.756%0.55953%0.533SS*.EExtended strand (participates in β ladder)trans-113113.6173.9-55.3179.3000107.2Y129 T143Y129-I145 HydrophobicContact CD1-CG2 3.85Å; Y129-I145 HydrophobicContact CG-CG2 4.32Å; T143-I145 HydrophobicContact CG2-CD1 4.35Å; T143-I145 HydrophobicContact CG2-CG1 3.79Å
146R68.7Low61.2Low128 Ų128106.3 Ų106.348%0.48353%0.526SS..EExtended strand (participates in β ladder)trans-91.5125.3173.1-174.9178.6-179.3-179.63.5109.1D104 Y129 K130 Q148D104-R146 IonicContact OD2-NH2 2.76Å; Y129-R146 WeakPolarHBondContact CA-O 3.14Å; K130-R146 PolarHBondContact N-O 2.68Å; K130-R146 PolarHBondContact O-N 3.2Å; R146-Q148 HydrophobicContact CG-CG 4.49Å
147K56Low61.7Low139 Ų139110.7 Ų110.760%0.60455%0.547SS*.EExtended strand (participates in β ladder)trans-81.6122.5169.5-170.1-178.9-177.9-178.80108.9V127 Y129V127-K147 HydrophobicContact CG1-CD 4.12Å; V127-K147 HydrophobicContact CG1-CG 3.52Å; Y129-K147 HydrophobicContact CD1-CB 4.47Å; Y129-K147 HydrophobicContact CE1-CB 4.36Å; Y129-K147 HydrophobicContact CE1-CG 4.07Å
148Q65.1Low62.7Low55 Ų55104.1 Ų104.126%0.25752%0.522SS..EExtended strand (participates in β ladder)trans-111.6131.9168.1-72.9-169.1-66.800109.5E128 R146E128-Q148 PolarHBondContact N-O 3.38Å; E128-Q148 PolarHBondContact O-N 3.46Å; R146-Q148 HydrophobicContact CG-CG 4.49Å
149K63.6Low62.2Low121 Ų121101.7 Ų101.753%0.52651%0.513SS..EExtended strand (participates in β ladder)trans-80.7118.9167.6-169.3-174.3-173.1-132.10106.8D151K149-D151 WeakPolarHBondContact CE-OD1 3.37Å; K149-D151 IonicContact NZ-OD1 2.68Å; K149-D151 PolarHBondContact NZ-OD1 2.91Å; K149-D151 IonicContact NZ-OD2 3.72Å
150L53.8Low62.7Low77 Ų77106.3 Ų106.340%0.40352%0.519SS..EExtended strand (participates in β ladder)trans-96106.1166.4-73.3168.7000106.7S126 E128 L152S126-L150 PolarHBondContact O-N 3.2Å; S126-L150 PolarHBondContact OG-O 3.38Å; E128-L150 HydrophobicContact CB-CD1 3.74Å; E128-L150 HydrophobicContact CB-CG 4.33Å; L150-L152 PolarHBondContact O-N 2.82Å
151D66.3Low62Low103 Ų103102.8 Ų102.855%0.55152%0.516SS*.  trans-72.9116.9163.6-65.3-45.1000106.9Y125 K149Y125-D151 WeakPolarHBondContact CD1-OD1 3.22Å; Y125-D151 VanDerWaalsContact CE1-OD1 3.22Å; Y125-D151 WeakPolarHBondContact CE1-OD1 3.18Å; K149-D151 WeakPolarHBondContact CE-OD1 3.37Å; K149-D151 IonicContact NZ-OD1 2.68Å; K149-D151 PolarHBondContact NZ-OD1 2.91Å; K149-D151 IonicContact NZ-OD2 3.72Å
152L58.5Low61.3Low213 Ų213102.5 Ų102.5100%1.11551%0.511SS*.  trans-72.80172.1-81161.2000110.3L150L150-L152 PolarHBondContact O-N 2.82Å

Retrieved 152 of 152 residues in 691.8 ms (Link to these results)

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