A0A077ZCS5_TRITR Loading...

Fas apoptotic inhibitory molecule 1

AlphaFold DB , UniProt , Accession A0A077ZCS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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
1M40Very low77.3Confident233 Ų23390.6 Ų90.6100%1.14849%0.491SS*.  0127.70-72.6-179.4160.900107.4
2P44.6Very low78.3Confident110 Ų11083.1 Ų83.171%0.71445%0.45SS*.  trans-62.7142.1173.829.4-31000108V4P2-V4 PolarHBondContact O-N 3.38Å
3L51.6Low78.8Confident180 Ų18076.8 Ų76.894%0.94242%0.417SS*.  trans-61.884.5177.3-79.2151.8000109.3H5L3-H5 PolarHBondContact O-N 3.2Å
4V65.9Low79.4Confident76 Ų7671.4 Ų71.446%0.46139%0.387SS..  trans-68.6112.1170-87.50000107.3P2 V6 E24P2-V4 PolarHBondContact O-N 3.38Å; V4-V6 HydrophobicContact CB-CG2 4.49Å; V4-V6 PolarHBondContact O-N 2.91Å; V4-E24 VanDerWaalsContact CB-OE1 3.31Å; V4-E24 WeakPolarHBondContact CB-OE1 3.39Å; V4-E24 WeakPolarHBondContact CG1-OE1 3.42Å
5H84.1Confident79.5Confident144 Ų14473.5 Ų73.567%0.66740%0.398SS*.  trans-82.771.2-174.6-153.8-73.4000110L3 V7L3-H5 PolarHBondContact O-N 3.2Å; H5-V7 PolarHBondContact O-N 3.26Å
6V93.5Very high79.7Confident49 Ų4973.8 Ų73.830%0.29740%0.399SS..EExtended strand (participates in β ladder)trans-68.4121.2176.3-179.70000108.7V4 A8 T9 E22 L23 E24V4-V6 HydrophobicContact CB-CG2 4.49Å; V4-V6 PolarHBondContact O-N 2.91Å; V6-A8 VanDerWaalsContact CG1-O 3.31Å; V6-A8 WeakPolarHBondContact CG1-O 2.85Å; V6-T9 WeakPolarHBondContact CG1-OG1 3.2Å; V6-E22 HydrophobicContact CG1-CB 4.12Å; V6-L23 CarbonylContact C-O 3.45Å; V6-L23 WeakPolarHBondContact CA-O 3.43Å; V6-E24 HydrophobicContact CG2-CG 4.42Å
7V94.4Very high79.7Confident46 Ų4670.1 Ų70.128%0.27938%0.383SS..EExtended strand (participates in β ladder)trans-101.3-20-177.8-64.10000113H5 L23 H25 Y77H5-V7 PolarHBondContact O-N 3.26Å; V7-L23 HydrophobicContact CG2-CB 4.29Å; V7-L23 HydrophobicContact CG2-CD2 3.85Å; V7-L23 HydrophobicContact CG2-CG 3.84Å; V7-L23 WeakPolarHBondContact CG2-O 3.21Å; V7-L23 PolarHBondContact N-O 3.45Å; V7-H25 HydrophobicContact CG1-CB 4.33Å; V7-H25 HydrophobicContact CG2-CB 3.66Å; V7-Y77 HydrophobicContact CB-CE2 3.86Å; V7-Y77 HydrophobicContact CG2-CD1 4.31Å; V7-Y77 HydrophobicContact CG2-CD2 4.35Å; V7-Y77 HydrophobicContact CG2-CE1 3.83Å; V7-Y77 HydrophobicContact CG2-CE2 3.89Å
8A95Very high80Confident15 Ų1568.1 Ų68.112%0.12437%0.373CS..EExtended strand (participates in β ladder)trans-151.1148.4176.600000110.9V6 W10 L23 Y77V6-A8 VanDerWaalsContact CG1-O 3.31Å; V6-A8 WeakPolarHBondContact CG1-O 2.85Å; A8-W10 HydrophobicContact CB-CE3 4.41Å; A8-W10 HydrophobicContact CB-CH2 3.3Å; A8-W10 HydrophobicContact CB-CZ2 3.71Å; A8-W10 HydrophobicContact CB-CZ3 3.68Å; A8-L23 HydrophobicContact CB-CB 4.26Å; A8-L23 HydrophobicContact CB-CD2 4.44Å; A8-L23 PolarHBondContact O-N 3.22Å; A8-Y77 HydrophobicContact CB-CD2 4.3Å; A8-Y77 HydrophobicContact CB-CG 4.13Å
9T95.5Very high80.5Confident62 Ų6265.5 Ų65.538%0.3836%0.358SS..EExtended strand (participates in β ladder)trans-140135.5176.5-57.90000109.1V6 R20 I21 E22V6-T9 WeakPolarHBondContact CG1-OG1 3.2Å; T9-R20 HydrophobicContact CG2-CG 3.96Å; T9-I21 CarbonylContact C-O 3.47Å; T9-I21 VanDerWaalsContact CA-O 3.26Å; T9-I21 WeakPolarHBondContact CA-O 3.1Å; T9-E22 HydrophobicContact CG2-CG 4.34Å
10W94.9Very high81.2Confident29 Ų2968.6 Ų68.611%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-128136.4174.4-59.2-88.6000109.7A8 I21 L23 V65 L79 F86A8-W10 HydrophobicContact CB-CE3 4.41Å; A8-W10 HydrophobicContact CB-CH2 3.3Å; A8-W10 HydrophobicContact CB-CZ2 3.71Å; A8-W10 HydrophobicContact CB-CZ3 3.68Å; W10-I21 HydrophobicContact CB-CB 4.39Å; W10-I21 HydrophobicContact CE3-CB 4.37Å; W10-I21 HydrophobicContact CE3-CG2 4.07Å; W10-I21 PolarHBondContact N-O 2.83Å; W10-I21 PolarHBondContact O-N 3.4Å; W10-L23 HydrophobicContact CH2-CB 4.39Å; W10-L23 HydrophobicContact CH2-CD2 4.33Å; W10-L23 HydrophobicContact CZ3-CB 3.99Å; W10-V65 HydrophobicContact CH2-CG2 4.16Å; W10-V65 HydrophobicContact CZ3-CG2 3.98Å; W10-L79 HydrophobicContact CB-CD2 3.67Å; W10-L79 HydrophobicContact CD2-CB 3.79Å; W10-L79 HydrophobicContact CD2-CD2 3.98Å; W10-L79 HydrophobicContact CD2-CG 4.43Å; W10-L79 HydrophobicContact CE3-CB 4.4Å; W10-L79 HydrophobicContact CE3-CD2 4.43Å; W10-L79 HydrophobicContact CG-CB 4Å; W10-L79 HydrophobicContact CG-CD2 3.64Å; W10-L79 HydrophobicContact CG-CG 4.45Å; W10-L79 HydrophobicContact CZ2-CB 4.06Å; W10-F86 HydrophobicContact CB-CD2 4.41Å; W10-F86 HydrophobicContact CB-CE2 4.1Å; W10-F86 HydrophobicContact CB-CZ 4.21Å; W10-F86 AromaticContact CD1-CD1 3.7Å; W10-F86 AromaticContact CD1-CE1 3.96Å; W10-F86 AromaticContact CD1-CG 3.88Å
11N90.6Very high81.9Confident53 Ų5365.3 Ų65.328%0.28335%0.346SS..EExtended strand (participates in β ladder)trans-100.3102.7171.5-69-38000107.8P13 V18 F86 Y110N11-P13 WeakPolarHBondContact O-CD 3.5Å; N11-V18 HydrophobicContact CB-CG1 3.71Å; N11-F86 VanDerWaalsContact O-CZ 3.31Å; N11-F86 WeakPolarHBondContact O-CZ 3.45Å; N11-Y110 HydrophobicContact CB-CE2 4.24Å
12L89.5Confident84.6Confident0 Ų055.5 Ų55.50%030%0.298CS..EExtended strand (participates in β ladder)trans-88.5105-176.9-179.360.2000110L14 V18 H19 I21 V58 V81 F86 F89L12-L14 HydrophobicContact CD1-CD2 4.39Å; L12-L14 HydrophobicContact CD2-CD1 4.39Å; L12-L14 HydrophobicContact CD2-CD2 4.08Å; L12-L14 HydrophobicContact CD2-CG 4.3Å; L12-L14 HydrophobicContact CG-CD2 3.92Å; L12-L14 HydrophobicContact CG-CG 4.08Å; L12-L14 PolarHBondContact O-N 3.18Å; L12-V18 WeakPolarHBondContact O-CA 3.44Å; L12-H19 HydrophobicContact CB-CB 4.46Å; L12-H19 PolarHBondContact N-O 3.38Å; L12-H19 PolarHBondContact O-N 3.45Å; L12-I21 HydrophobicContact CB-CD1 4.01Å; L12-I21 HydrophobicContact CD2-CD1 4.01Å; L12-V58 HydrophobicContact CD2-CB 4.2Å; L12-V58 HydrophobicContact CD2-CG1 4.25Å; L12-V58 HydrophobicContact CD2-CG2 4.3Å; L12-V81 HydrophobicContact CD1-CG1 4.34Å; L12-V81 HydrophobicContact CD1-CG2 3.99Å; L12-V81 HydrophobicContact CD2-CG1 4.38Å; L12-V81 HydrophobicContact CD2-CG2 4.42Å; L12-F86 HydrophobicContact CD1-CD2 4.38Å; L12-F86 HydrophobicContact CD1-CE2 4.22Å; L12-F89 HydrophobicContact CD1-CD1 3.75Å; L12-F89 HydrophobicContact CD1-CE1 3.69Å
13P84.9Confident87.1Confident2 Ų250.2 Ų50.21%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-70.1126.3173.130.1-34.9000109N11 A90 M93 M94N11-P13 WeakPolarHBondContact O-CD 3.5Å; P13-A90 HydrophobicContact CG-CB 4.13Å; P13-M93 VanDerWaalsContact O-CG 3.31Å; P13-M93 WeakPolarHBondContact O-CG 3.38Å; P13-M94 HydrophobicContact CG-CE 4.07Å; P13-M94 HydrophobicContact CG-CG 4.37Å
14L86.7Confident89.2Confident0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-125.9177.5171.2-62.3-173.6000109.7L12 D16 G17 V58 K59 F61 F89 M93 L97L12-L14 HydrophobicContact CD1-CD2 4.39Å; L12-L14 HydrophobicContact CD2-CD1 4.39Å; L12-L14 HydrophobicContact CD2-CD2 4.08Å; L12-L14 HydrophobicContact CD2-CG 4.3Å; L12-L14 HydrophobicContact CG-CD2 3.92Å; L12-L14 HydrophobicContact CG-CG 4.08Å; L12-L14 PolarHBondContact O-N 3.18Å; L14-D16 PolarHBondContact O-N 2.87Å; L14-G17 CarbonylContact C-O 3.45Å; L14-G17 WeakPolarHBondContact CA-O 3.49Å; L14-G17 PolarHBondContact N-O 3.08Å; L14-G17 PolarHBondContact O-N 3.42Å; L14-V58 HydrophobicContact CD1-CG1 3.91Å; L14-K59 HydrophobicContact CD1-CD 4.14Å; L14-F61 HydrophobicContact CD1-CD2 3.67Å; L14-F61 HydrophobicContact CD1-CE2 3.86Å; L14-F61 HydrophobicContact CD2-CD1 4.46Å; L14-F61 HydrophobicContact CD2-CD2 3.6Å; L14-F61 HydrophobicContact CD2-CE1 4.39Å; L14-F61 HydrophobicContact CD2-CE2 3.51Å; L14-F61 HydrophobicContact CD2-CG 4.1Å; L14-F61 HydrophobicContact CD2-CZ 3.92Å; L14-F61 HydrophobicContact CG-CD2 4.31Å; L14-F61 HydrophobicContact CG-CE2 4.2Å; L14-F89 HydrophobicContact CD2-CE1 4.16Å; L14-F89 HydrophobicContact CD2-CZ 4.35Å; L14-M93 HydrophobicContact CD2-CE 4.25Å; L14-L97 WeakPolarHBondContact O-CD1 3.34Å
15N81.3Confident90.5Very high103 Ų10339.2 Ų39.255%0.55120%0.202SC*.THydrogen-bonded Turntrans-67.4-20-178.663.6-42.9000114.3L97N15-L97 HydrophobicContact CB-CD2 4.1Å
16D82.4Confident90.9Very high79 Ų7933.5 Ų33.542%0.42218%0.182SC..THydrogen-bonded Turntrans-105.92.1179.672-70.9000113.9L14 H19 K59L14-D16 PolarHBondContact O-N 2.87Å; D16-H19 IonicContact OD1-NE2 3.53Å; D16-H19 PolarHBondContact OD1-NE2 3.04Å; D16-H19 IonicContact OD2-CE1 2.67Å; D16-H19 IonicContact OD2-NE2 3.23Å; D16-H19 PolarHBondContact OD2-NE2 2.78Å; D16-K59 WeakPolarHBondContact OD1-CE 3.17Å; D16-K59 IonicContact OD1-NZ 2.66Å; D16-K59 PolarHBondContact OD1-NZ 3.19Å; D16-K59 WeakPolarHBondContact OD2-CE 3.27Å; D16-K59 IonicContact OD2-NZ 2.52Å; D16-K59 PolarHBondContact OD2-NZ 3.27Å
17G80.3Confident90.6Very high11 Ų1134.6 Ų34.611%0.11319%0.189CC..EExtended strand (participates in β ladder)trans141.3-169.9-178.900000112.6L14L14-G17 CarbonylContact C-O 3.45Å; L14-G17 WeakPolarHBondContact CA-O 3.49Å; L14-G17 PolarHBondContact N-O 3.08Å; L14-G17 PolarHBondContact O-N 3.42Å
18V84.8Confident90.3Very high34 Ų3438.8 Ų38.821%0.20622%0.215CC..EExtended strand (participates in β ladder)trans-101.8123.3178.51780000108.7N11 L12 Y110 L122N11-V18 HydrophobicContact CB-CG1 3.71Å; L12-V18 WeakPolarHBondContact O-CA 3.44Å; V18-Y110 HydrophobicContact CB-CD2 4.44Å; V18-Y110 HydrophobicContact CG1-CD2 4.29Å; V18-Y110 HydrophobicContact CG1-CE2 4.1Å; V18-Y110 HydrophobicContact CG2-CD2 3.39Å; V18-Y110 HydrophobicContact CG2-CE2 4.01Å; V18-Y110 HydrophobicContact CG2-CG 3.97Å; V18-L122 HydrophobicContact CG2-CB 3.95Å
19H90.2Very high90.1Very high18 Ų1840.8 Ų40.88%0.08323%0.225CC..EExtended strand (participates in β ladder)trans-100125.8177.3-68.8-83.4000110.7L12 D16 V36 D37 V58 K59L12-H19 HydrophobicContact CB-CB 4.46Å; L12-H19 PolarHBondContact N-O 3.38Å; L12-H19 PolarHBondContact O-N 3.45Å; D16-H19 IonicContact OD1-NE2 3.53Å; D16-H19 PolarHBondContact OD1-NE2 3.04Å; D16-H19 IonicContact OD2-CE1 2.67Å; D16-H19 IonicContact OD2-NE2 3.23Å; D16-H19 PolarHBondContact OD2-NE2 2.78Å; H19-V36 HydrophobicContact CB-CG1 4.4Å; H19-D37 VanDerWaalsContact CA-OD1 3.27Å; H19-D37 WeakPolarHBondContact CA-OD1 2.9Å; H19-D37 IonicContact CE1-OD2 3.24Å; H19-D37 IonicContact CG-OD2 2.89Å; H19-D37 IonicContact ND1-OD1 3.7Å; H19-D37 IonicContact ND1-OD2 2.76Å; H19-D37 PolarHBondContact ND1-OD2 2.76Å; H19-V58 HydrophobicContact CB-CG1 3.99Å; H19-K59 WeakPolarHBondContact CE1-CE 3.26Å; H19-K59 WeakPolarHBondContact NE2-CE 3.45Å
20R93.2Very high89.9Confident127 Ų12737.8 Ų37.848%0.47921%0.207SC..EExtended strand (participates in β ladder)trans-89.2115.4179.9-178174.4168.7163-2.6109.8T9 E22 V36 D37T9-R20 HydrophobicContact CG2-CG 3.96Å; R20-E22 HydrophobicContact CG-CG 4.13Å; R20-E22 IonicContact CZ-OE1 3.1Å; R20-E22 IonicContact NE-OE1 2.74Å; R20-E22 PolarHBondContact NE-OE1 2.69Å; R20-E22 IonicContact NH2-OE1 2.71Å; R20-E22 PolarHBondContact NH2-OE1 3Å; R20-V36 CarbonylContact O-C 3.6Å; R20-V36 WeakPolarHBondContact O-CA 3.35Å; R20-D37 PolarHBondContact N-OD1 3.38Å; R20-D37 PolarHBondContact O-N 3Å
21I96.2Very high89.9Confident0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-102.1127.9176.8-55.5168.6000108.5T9 W10 L12 I34 R35 V36 F56 V58 L79T9-I21 CarbonylContact C-O 3.47Å; T9-I21 VanDerWaalsContact CA-O 3.26Å; T9-I21 WeakPolarHBondContact CA-O 3.1Å; W10-I21 HydrophobicContact CB-CB 4.39Å; W10-I21 HydrophobicContact CE3-CB 4.37Å; W10-I21 HydrophobicContact CE3-CG2 4.07Å; W10-I21 PolarHBondContact N-O 2.83Å; W10-I21 PolarHBondContact O-N 3.4Å; L12-I21 HydrophobicContact CB-CD1 4.01Å; L12-I21 HydrophobicContact CD2-CD1 4.01Å; I21-I34 HydrophobicContact CG2-CG2 4.11Å; I21-R35 CarbonylContact C-O 3.54Å; I21-R35 VanDerWaalsContact CA-O 3.29Å; I21-R35 WeakPolarHBondContact CA-O 3.22Å; I21-V36 HydrophobicContact CG1-CG2 4.41Å; I21-F56 HydrophobicContact CD1-CE2 4.37Å; I21-F56 HydrophobicContact CD1-CZ 4.33Å; I21-F56 HydrophobicContact CG2-CE2 4.16Å; I21-F56 HydrophobicContact CG2-CZ 3.88Å; I21-V58 HydrophobicContact CD1-CG2 3.97Å; I21-V58 HydrophobicContact CG1-CG2 4.29Å; I21-L79 HydrophobicContact CD1-CD1 4.43Å; I21-L79 HydrophobicContact CD1-CD2 3.65Å
22E96.9Very high90.1Very high27 Ų2737 Ų3713%0.12620%0.202CC..EExtended strand (participates in β ladder)trans-124.2140.1179.5-56-176.9133.900110.7V6 T9 R20 I34 R35V6-E22 HydrophobicContact CG1-CB 4.12Å; T9-E22 HydrophobicContact CG2-CG 4.34Å; R20-E22 HydrophobicContact CG-CG 4.13Å; R20-E22 IonicContact CZ-OE1 3.1Å; R20-E22 IonicContact NE-OE1 2.74Å; R20-E22 PolarHBondContact NE-OE1 2.69Å; R20-E22 IonicContact NH2-OE1 2.71Å; R20-E22 PolarHBondContact NH2-OE1 3Å; E22-I34 CarbonylContact O-C 3.48Å; E22-I34 VanDerWaalsContact O-CA 3.32Å; E22-I34 WeakPolarHBondContact O-CA 3.09Å; E22-R35 HydrophobicContact CB-CB 4.36Å; E22-R35 PolarHBondContact N-O 3.39Å; E22-R35 PolarHBondContact O-N 3.14Å
23L96.6Very high90.5Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-116.8127174.7176.468.5000110.2V6 V7 A8 W10 I33 I34 V65 I67 Y77V6-L23 CarbonylContact C-O 3.45Å; V6-L23 WeakPolarHBondContact CA-O 3.43Å; V7-L23 HydrophobicContact CG2-CB 4.29Å; V7-L23 HydrophobicContact CG2-CD2 3.85Å; V7-L23 HydrophobicContact CG2-CG 3.84Å; V7-L23 WeakPolarHBondContact CG2-O 3.21Å; V7-L23 PolarHBondContact N-O 3.45Å; A8-L23 HydrophobicContact CB-CB 4.26Å; A8-L23 HydrophobicContact CB-CD2 4.44Å; A8-L23 PolarHBondContact O-N 3.22Å; W10-L23 HydrophobicContact CH2-CB 4.39Å; W10-L23 HydrophobicContact CH2-CD2 4.33Å; W10-L23 HydrophobicContact CZ3-CB 3.99Å; L23-I33 CarbonylContact C-O 3.6Å; L23-I33 WeakPolarHBondContact CA-O 3.19Å; L23-I34 HydrophobicContact CD1-CG1 4Å; L23-V65 HydrophobicContact CD1-CG1 4.07Å; L23-V65 HydrophobicContact CD2-CG1 3.63Å; L23-V65 HydrophobicContact CG-CG1 4.41Å; L23-I67 HydrophobicContact CD2-CD1 4.45Å; L23-Y77 HydrophobicContact CD2-CD1 3.34Å; L23-Y77 HydrophobicContact CD2-CE1 3.81Å; L23-Y77 HydrophobicContact CD2-CG 4.03Å
24E95.6Very high91.1Very high16 Ų1637 Ų378%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-98.3137.4157.3-62.8-177.6-160.900109.8V4 V6 K31 R32 I33 R35V4-E24 VanDerWaalsContact CB-OE1 3.31Å; V4-E24 WeakPolarHBondContact CB-OE1 3.39Å; V4-E24 WeakPolarHBondContact CG1-OE1 3.42Å; V6-E24 HydrophobicContact CG2-CG 4.42Å; E24-K31 IonicContact OE2-NZ 3.69Å; E24-R32 WeakPolarHBondContact O-CA 3.44Å; E24-I33 HydrophobicContact CB-CB 4.1Å; E24-I33 HydrophobicContact CG-CB 4.44Å; E24-I33 PolarHBondContact N-O 3.08Å; E24-I33 PolarHBondContact O-N 2.91Å; E24-I33 WeakPolarHBondContact OE2-CD1 3.21Å; E24-R35 IonicContact OE1-CZ 2.85Å; E24-R35 IonicContact OE1-NH1 3.65Å; E24-R35 PolarHBondContact OE1-NH1 3.02Å; E24-R35 IonicContact OE1-NH2 2.84Å; E24-R35 PolarHBondContact OE1-NH2 2.95Å
25H93.5Very high91.6Very high9 Ų938.2 Ų38.24%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-136.6115.8175.3-173.8-148.7000110.9V7 K31 L50 Y77V7-H25 HydrophobicContact CG1-CB 4.33Å; V7-H25 HydrophobicContact CG2-CB 3.66Å; H25-K31 CarbonylContact C-O 3.56Å; H25-K31 VanDerWaalsContact CA-O 3.3Å; H25-K31 WeakPolarHBondContact CA-O 3.27Å; H25-K31 PolarHBondContact CD2-O 2.84Å; H25-L50 PolarHBondContact CE1-O 3.34Å; H25-L50 VanDerWaalsContact CE1-O 3.28Å; H25-L50 PolarHBondContact NE2-O 3.48Å; H25-L50 VanDerWaalsContact NE2-O 3.15Å; H25-Y77 HydrophobicContact CB-CE1 4.03Å; H25-Y77 AromaticContact ND1-CE1 3.5Å; H25-Y77 AromaticContact ND1-CZ 3.76Å; H25-Y77 PolarHBondContact ND1-OH 3.24Å; H25-Y77 VanDerWaalsContact ND1-OH 3.09Å
26G92.1Very high92.3Very high23 Ų2334 Ų3424%0.23718%0.184CC..  trans-87.3106.3174.200000110.7T28 T29 G30 K31G26-T28 PolarHBondContact O-N 3.05Å; G26-T29 PolarHBondContact O-N 2.75Å; G26-G30 WeakPolarHBondContact O-CA 3.42Å; G26-G30 PolarHBondContact O-N 3.48Å; G26-K31 PolarHBondContact N-O 3.48Å; G26-K31 PolarHBondContact O-N 2.84Å
27T88.3Confident92.9Very high72 Ų7234.5 Ų34.544%0.44219%0.187SC..THydrogen-bonded Turntrans-70.2-15.3-177.653.40000114L50 Y75T27-L50 WeakPolarHBondContact O-CD1 3.3Å; T27-L50 WeakPolarHBondContact O-CD2 3.39Å; T27-Y75 HydrophobicContact CG2-CD2 3.89Å; T27-Y75 HydrophobicContact CG2-CE2 3.7Å
28T88.5Confident93.5Very high135 Ų13536.5 Ų36.583%0.82821%0.208SC*.THydrogen-bonded Turntrans-91.1-39.4175.3-470000112.7G26G26-T28 PolarHBondContact O-N 3.05Å
29T90.9Very high94Very high56 Ų5641.8 Ų41.834%0.34423%0.23SC..THydrogen-bonded Turntrans-102.4-10.9-174.158.10000113.5G26 K31 W46 L47G26-T29 PolarHBondContact O-N 2.75Å; T29-K31 PolarHBondContact O-N 3.24Å; T29-K31 WeakPolarHBondContact OG1-CB 2.95Å; T29-K31 PolarHBondContact OG1-N 3.04Å; T29-W46 WeakPolarHBondContact O-CA 3.27Å; T29-W46 VanDerWaalsContact O-CD1 3.27Å; T29-L47 PolarHBondContact O-N 3.47Å
30G90.8Very high94.3Very high0 Ų044.5 Ų44.50%024%0.243CC..  trans67.714.9-166.400000113.5G26 R32 L47G26-G30 WeakPolarHBondContact O-CA 3.42Å; G26-G30 PolarHBondContact O-N 3.48Å; G30-R32 PolarHBondContact O-N 2.82Å; G30-L47 WeakPolarHBondContact O-CB 3.48Å
31K94.4Very high94.5Very high58 Ų5841.5 Ų41.525%0.25224%0.238SC..  trans-57.3136178.9178.4-179.6-174.3-149.40110.4E24 H25 G26 T29 I33 K44 D45E24-K31 IonicContact OE2-NZ 3.69Å; H25-K31 CarbonylContact C-O 3.56Å; H25-K31 VanDerWaalsContact CA-O 3.3Å; H25-K31 WeakPolarHBondContact CA-O 3.27Å; H25-K31 PolarHBondContact CD2-O 2.84Å; G26-K31 PolarHBondContact N-O 3.48Å; G26-K31 PolarHBondContact O-N 2.84Å; T29-K31 PolarHBondContact O-N 3.24Å; T29-K31 WeakPolarHBondContact OG1-CB 2.95Å; T29-K31 PolarHBondContact OG1-N 3.04Å; K31-I33 VanDerWaalsContact NZ-CD1 3.34Å; K31-K44 CarbonylContact C-O 3.56Å; K31-K44 WeakPolarHBondContact CA-O 3.35Å; K31-K44 WeakPolarHBondContact CG-O 3.46Å; K31-D45 WeakPolarHBondContact CB-O 3.18Å
32R95.7Very high94.6Very high8 Ų842.9 Ų42.93%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-132.6128.7175-63174-172.5166.4-1.4109.5E24 G30 R43 K44 L47 K49 L50 V51 E54 I67E24-R32 WeakPolarHBondContact O-CA 3.44Å; G30-R32 PolarHBondContact O-N 2.82Å; R32-R43 CarbonylContact O-C 3.54Å; R32-R43 WeakPolarHBondContact O-CA 3.34Å; R32-K44 PolarHBondContact N-O 3.33Å; R32-K44 PolarHBondContact O-N 2.71Å; R32-L47 HydrophobicContact CG-CD1 4.28Å; R32-L47 VanDerWaalsContact CZ-CD1 3.41Å; R32-K49 PolarHBondContact NH2-O 3.14Å; R32-K49 VanDerWaalsContact NH2-O 3.13Å; R32-L50 VanDerWaalsContact NH2-C 3.28Å; R32-L50 PolarHBondContact NH2-O 2.84Å; R32-V51 PolarHBondContact NH2-O 3.47Å; R32-E54 IonicContact CZ-OE1 2.85Å; R32-E54 IonicContact NH1-OE1 3.56Å; R32-E54 PolarHBondContact NH1-OE1 2.75Å; R32-I67 HydrophobicContact CG-CD1 4.21Å
33I96.7Very high94.5Very high1 Ų146.7 Ų46.71%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-128130.4168.1-62.3163.3000107.9L23 E24 K31 R35 E40 L42 R43L23-I33 CarbonylContact C-O 3.6Å; L23-I33 WeakPolarHBondContact CA-O 3.19Å; E24-I33 HydrophobicContact CB-CB 4.1Å; E24-I33 HydrophobicContact CG-CB 4.44Å; E24-I33 PolarHBondContact N-O 3.08Å; E24-I33 PolarHBondContact O-N 2.91Å; E24-I33 WeakPolarHBondContact OE2-CD1 3.21Å; K31-I33 VanDerWaalsContact NZ-CD1 3.34Å; I33-R35 HydrophobicContact CG2-CG 4.14Å; I33-E40 HydrophobicContact CG2-CG 3.88Å; I33-L42 CarbonylContact C-O 3.52Å; I33-L42 WeakPolarHBondContact CA-O 3.42Å; I33-R43 HydrophobicContact CG1-CB 4.4Å; I33-R43 HydrophobicContact CG1-CG 4.18Å
34I97.6Very high94.5Very high0 Ų050.4 Ų50.40%028%0.275CS..EExtended strand (participates in β ladder)trans-111.8129.2171.5-55.5176.5000107.9I21 E22 L23 V41 L42 E54 F56 V65I21-I34 HydrophobicContact CG2-CG2 4.11Å; E22-I34 CarbonylContact O-C 3.48Å; E22-I34 VanDerWaalsContact O-CA 3.32Å; E22-I34 WeakPolarHBondContact O-CA 3.09Å; L23-I34 HydrophobicContact CD1-CG1 4Å; I34-V41 HydrophobicContact CB-CG2 3.97Å; I34-V41 HydrophobicContact CG2-CG2 3.71Å; I34-V41 WeakPolarHBondContact O-CG2 3.37Å; I34-V41 PolarHBondContact O-N 3.34Å; I34-L42 HydrophobicContact CB-CB 4.1Å; I34-L42 HydrophobicContact CD1-CB 4.32Å; I34-L42 HydrophobicContact CD1-CD1 4.37Å; I34-L42 HydrophobicContact CD1-CD2 4.27Å; I34-L42 HydrophobicContact CG1-CB 4.32Å; I34-L42 HydrophobicContact CG1-CD2 4.27Å; I34-L42 PolarHBondContact N-O 3.26Å; I34-L42 PolarHBondContact O-N 2.9Å; I34-E54 HydrophobicContact CD1-CB 3.9Å; I34-F56 HydrophobicContact CD1-CD1 3.74Å; I34-F56 HydrophobicContact CD1-CE1 3.95Å; I34-F56 HydrophobicContact CD1-CG 4.38Å; I34-F56 HydrophobicContact CG2-CD1 4.44Å; I34-F56 HydrophobicContact CG2-CD2 4.21Å; I34-F56 HydrophobicContact CG2-CE1 4.28Å; I34-F56 HydrophobicContact CG2-CE2 3.99Å; I34-F56 HydrophobicContact CG2-CG 4.43Å; I34-F56 HydrophobicContact CG2-CZ 4.03Å; I34-V65 HydrophobicContact CD1-CB 4.13Å; I34-V65 HydrophobicContact CD1-CG2 4Å
35R97.5Very high94.4Very high26 Ų2654.3 Ų54.310%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-115.5145170.9-57.8-165.3-174.6825.9110.9I21 E22 E24 I33 Q39 E40I21-R35 CarbonylContact C-O 3.54Å; I21-R35 VanDerWaalsContact CA-O 3.29Å; I21-R35 WeakPolarHBondContact CA-O 3.22Å; E22-R35 HydrophobicContact CB-CB 4.36Å; E22-R35 PolarHBondContact N-O 3.39Å; E22-R35 PolarHBondContact O-N 3.14Å; E24-R35 IonicContact OE1-CZ 2.85Å; E24-R35 IonicContact OE1-NH1 3.65Å; E24-R35 PolarHBondContact OE1-NH1 3.02Å; E24-R35 IonicContact OE1-NH2 2.84Å; E24-R35 PolarHBondContact OE1-NH2 2.95Å; I33-R35 HydrophobicContact CG2-CG 4.14Å; R35-Q39 CarbonylContact C-O 3.59Å; R35-Q39 WeakPolarHBondContact CA-O 3.44Å; R35-E40 HydrophobicContact CG-CG 3.78Å; R35-E40 IonicContact CZ-OE1 3.18Å; R35-E40 IonicContact NE-OE1 3.44Å; R35-E40 PolarHBondContact NE-OE1 2.94Å; R35-E40 IonicContact NH2-OE1 2.82Å; R35-E40 PolarHBondContact NH2-OE1 3.49Å
36V96.4Very high94.2Very high15 Ų1562 Ų629%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-124.6120.7170.3-177.60000106.3H19 R20 I21 G38 Q39 V41 F56 V58H19-V36 HydrophobicContact CB-CG1 4.4Å; R20-V36 CarbonylContact O-C 3.6Å; R20-V36 WeakPolarHBondContact O-CA 3.35Å; I21-V36 HydrophobicContact CG1-CG2 4.41Å; V36-G38 PolarHBondContact O-N 2.77Å; V36-Q39 PolarHBondContact N-O 3.25Å; V36-Q39 WeakPolarHBondContact O-CB 3.44Å; V36-Q39 PolarHBondContact O-N 3.13Å; V36-V41 HydrophobicContact CB-CG1 3.98Å; V36-V41 HydrophobicContact CG2-CB 4.44Å; V36-V41 HydrophobicContact CG2-CG1 3.78Å; V36-V41 HydrophobicContact CG2-CG2 3.78Å; V36-F56 HydrophobicContact CG2-CD2 4.29Å; V36-F56 HydrophobicContact CG2-CE2 4.04Å; V36-V58 HydrophobicContact CG1-CG1 4.09Å; V36-V58 HydrophobicContact CG1-CG2 4.11Å; V36-V58 HydrophobicContact CG2-CG2 3.93Å
37D93.8Very high94.1Very high89 Ų8962.9 Ų62.948%0.47632%0.324SS..THydrogen-bonded Turntrans52.139.1-177.1-51-38.4000113.1H19 R20 Q39H19-D37 VanDerWaalsContact CA-OD1 3.27Å; H19-D37 WeakPolarHBondContact CA-OD1 2.9Å; H19-D37 IonicContact CE1-OD2 3.24Å; H19-D37 IonicContact CG-OD2 2.89Å; H19-D37 IonicContact ND1-OD1 3.7Å; H19-D37 IonicContact ND1-OD2 2.76Å; H19-D37 PolarHBondContact ND1-OD2 2.76Å; R20-D37 PolarHBondContact N-OD1 3.38Å; R20-D37 PolarHBondContact O-N 3Å; D37-Q39 PolarHBondContact O-N 3.38Å
38G93.8Very high94Very high53 Ų5367.9 Ų67.955%0.54634%0.34SS..THydrogen-bonded Turntrans79.5-8.5-178.200000115.1V36V36-G38 PolarHBondContact O-N 2.77Å
39Q96.3Very high94.1Very high145 Ų14568.8 Ų68.868%0.67833%0.332SS*.EExtended strand (participates in β ladder)trans-89.9130.9175.9-172.7179.5-8.600111.2R35 V36 D37 V41R35-Q39 CarbonylContact C-O 3.59Å; R35-Q39 WeakPolarHBondContact CA-O 3.44Å; V36-Q39 PolarHBondContact N-O 3.25Å; V36-Q39 WeakPolarHBondContact O-CB 3.44Å; V36-Q39 PolarHBondContact O-N 3.13Å; D37-Q39 PolarHBondContact O-N 3.38Å; Q39-V41 PolarHBondContact O-N 3.29Å
40E96.1Very high94.2Very high75 Ų7568.2 Ų68.235%0.3533%0.327SS..EExtended strand (participates in β ladder)trans-68.4119.5173.8-69.4-174.7179.800111.2I33 R35 R43I33-E40 HydrophobicContact CG2-CG 3.88Å; R35-E40 HydrophobicContact CG-CG 3.78Å; R35-E40 IonicContact CZ-OE1 3.18Å; R35-E40 IonicContact NE-OE1 3.44Å; R35-E40 PolarHBondContact NE-OE1 2.94Å; R35-E40 IonicContact NH2-OE1 2.82Å; R35-E40 PolarHBondContact NH2-OE1 3.49Å; E40-R43 IonicContact OE1-CZ 3.3Å; E40-R43 IonicContact OE1-NH2 3.76Å; E40-R43 PolarHBondContact OE1-NH2 3.37Å; E40-R43 IonicContact OE2-CZ 2.72Å; E40-R43 VanDerWaalsContact OE2-CZ 3.24Å; E40-R43 IonicContact OE2-NE 2.64Å; E40-R43 PolarHBondContact OE2-NE 3.3Å; E40-R43 IonicContact OE2-NH2 2.86Å; E40-R43 PolarHBondContact OE2-NH2 2.52Å
41V97.3Very high94.3Very high64 Ų6471.1 Ų71.139%0.38835%0.345SS..EExtended strand (participates in β ladder)trans-105.2-21.1176.7-61.30000112.3I34 V36 Q39 F56I34-V41 HydrophobicContact CB-CG2 3.97Å; I34-V41 HydrophobicContact CG2-CG2 3.71Å; I34-V41 WeakPolarHBondContact O-CG2 3.37Å; I34-V41 PolarHBondContact O-N 3.34Å; V36-V41 HydrophobicContact CB-CG1 3.98Å; V36-V41 HydrophobicContact CG2-CB 4.44Å; V36-V41 HydrophobicContact CG2-CG1 3.78Å; V36-V41 HydrophobicContact CG2-CG2 3.78Å; Q39-V41 PolarHBondContact O-N 3.29Å; V41-F56 HydrophobicContact CG2-CB 4.42Å; V41-F56 HydrophobicContact CG2-CD2 3.96Å; V41-F56 HydrophobicContact CG2-CG 4.4Å
42L97.3Very high94.4Very high29 Ų2969.8 Ų69.815%0.15235%0.348CS..EExtended strand (participates in β ladder)trans-149.3138177-177.2149.2000109.9I33 I34 K44 E54I33-L42 CarbonylContact C-O 3.52Å; I33-L42 WeakPolarHBondContact CA-O 3.42Å; I34-L42 HydrophobicContact CB-CB 4.1Å; I34-L42 HydrophobicContact CD1-CB 4.32Å; I34-L42 HydrophobicContact CD1-CD1 4.37Å; I34-L42 HydrophobicContact CD1-CD2 4.27Å; I34-L42 HydrophobicContact CG1-CB 4.32Å; I34-L42 HydrophobicContact CG1-CD2 4.27Å; I34-L42 PolarHBondContact N-O 3.26Å; I34-L42 PolarHBondContact O-N 2.9Å; L42-K44 HydrophobicContact CD2-CG 4.25Å; L42-E54 HydrophobicContact CD1-CB 4.06Å; L42-E54 HydrophobicContact CD2-CG 4.48Å
43R96.3Very high94.4Very high107 Ų10775.1 Ų75.140%0.40437%0.368SS..EExtended strand (participates in β ladder)trans-141.3132173172.5179-72.1-96.15.2110.1R32 I33 E40 D45R32-R43 CarbonylContact O-C 3.54Å; R32-R43 WeakPolarHBondContact O-CA 3.34Å; I33-R43 HydrophobicContact CG1-CB 4.4Å; I33-R43 HydrophobicContact CG1-CG 4.18Å; E40-R43 IonicContact OE1-CZ 3.3Å; E40-R43 IonicContact OE1-NH2 3.76Å; E40-R43 PolarHBondContact OE1-NH2 3.37Å; E40-R43 IonicContact OE2-CZ 2.72Å; E40-R43 VanDerWaalsContact OE2-CZ 3.24Å; E40-R43 IonicContact OE2-NE 2.64Å; E40-R43 PolarHBondContact OE2-NE 3.3Å; E40-R43 IonicContact OE2-NH2 2.86Å; E40-R43 PolarHBondContact OE2-NH2 2.52Å; R43-D45 IonicContact NH1-OD1 2.87Å; R43-D45 PolarHBondContact NH1-OD1 2.77Å
44K95.4Very high94.4Very high77 Ų7775.5 Ų75.534%0.33537%0.37SS..EExtended strand (participates in β ladder)trans-134.2113.5168.3-65.8-176.1175.6177.90107.7K31 R32 L42 L47 E54K31-K44 CarbonylContact C-O 3.56Å; K31-K44 WeakPolarHBondContact CA-O 3.35Å; K31-K44 WeakPolarHBondContact CG-O 3.46Å; R32-K44 PolarHBondContact N-O 3.33Å; R32-K44 PolarHBondContact O-N 2.71Å; L42-K44 HydrophobicContact CD2-CG 4.25Å; K44-L47 HydrophobicContact CB-CD1 4.4Å; K44-L47 HydrophobicContact CB-CG 4.39Å; K44-L47 HydrophobicContact CD-CD1 3.86Å; K44-L47 HydrophobicContact CD-CD2 4.15Å; K44-L47 HydrophobicContact CD-CG 4.26Å; K44-E54 WeakPolarHBondContact CE-OE2 3.21Å; K44-E54 IonicContact NZ-OE1 3.48Å; K44-E54 PolarHBondContact NZ-OE1 2.84Å; K44-E54 IonicContact NZ-OE2 2.91Å; K44-E54 PolarHBondContact NZ-OE2 2.84Å
45D93Very high94.4Very high98 Ų9878.4 Ų78.452%0.52439%0.385SS..SBendtrans-77.9-24.1-174.2-65.3-56.5000113.1K31 R43K31-D45 WeakPolarHBondContact CB-O 3.18Å; R43-D45 IonicContact NH1-OD1 2.87Å; R43-D45 PolarHBondContact NH1-OD1 2.77Å
46W90.7Very high94.5Very high170 Ų17077.8 Ų77.864%0.64438%0.383SS*.  trans-148.6137.4178.8-169.387.4000112.3T29 F48T29-W46 WeakPolarHBondContact O-CA 3.27Å; T29-W46 VanDerWaalsContact O-CD1 3.27Å; W46-F48 HydrophobicContact CH2-CB 3.82Å; W46-F48 HydrophobicContact CH2-CD2 4.03Å; W46-F48 HydrophobicContact CH2-CG 4.45Å; W46-F48 HydrophobicContact CZ2-CD2 4.4Å; W46-F48 HydrophobicContact CZ3-CB 4.14Å
47L90.1Very high94.5Very high42 Ų4283 Ų8322%0.2241%0.405CS..  trans-143.6133.9171.7-70.9173.8000109.9T29 G30 R32 K44 K49T29-L47 PolarHBondContact O-N 3.47Å; G30-L47 WeakPolarHBondContact O-CB 3.48Å; R32-L47 HydrophobicContact CG-CD1 4.28Å; R32-L47 VanDerWaalsContact CZ-CD1 3.41Å; K44-L47 HydrophobicContact CB-CD1 4.4Å; K44-L47 HydrophobicContact CB-CG 4.39Å; K44-L47 HydrophobicContact CD-CD1 3.86Å; K44-L47 HydrophobicContact CD-CD2 4.15Å; K44-L47 HydrophobicContact CD-CG 4.26Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 2.71Å
48F85.9Confident94.6Very high177 Ų17778.9 Ų78.978%0.77638%0.383SS*.SBendtrans-65.3-34.5174.5-172-98.2000112.6W46W46-F48 HydrophobicContact CH2-CB 3.82Å; W46-F48 HydrophobicContact CH2-CD2 4.03Å; W46-F48 HydrophobicContact CH2-CG 4.45Å; W46-F48 HydrophobicContact CZ2-CD2 4.4Å; W46-F48 HydrophobicContact CZ3-CB 4.14Å
49K91Very high94.5Very high154 Ų15482 Ų8267%0.6738%0.382SS*.  trans-96.1124.8177.7-68.4-174.4-179.1-179.20110.6R32 L47R32-K49 PolarHBondContact NH2-O 3.14Å; R32-K49 VanDerWaalsContact NH2-O 3.13Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 2.71Å
50L91.9Very high94.4Very high44 Ų4482.5 Ų82.523%0.2338%0.381CS..SBendtrans-78.4-32.2178.3-57.4178.6000112.4H25 T27 R32 Y75H25-L50 PolarHBondContact CE1-O 3.34Å; H25-L50 VanDerWaalsContact CE1-O 3.28Å; H25-L50 PolarHBondContact NE2-O 3.48Å; H25-L50 VanDerWaalsContact NE2-O 3.15Å; T27-L50 WeakPolarHBondContact O-CD1 3.3Å; T27-L50 WeakPolarHBondContact O-CD2 3.39Å; R32-L50 VanDerWaalsContact NH2-C 3.28Å; R32-L50 PolarHBondContact NH2-O 2.84Å; L50-Y75 HydrophobicContact CB-CE1 3.91Å; L50-Y75 WeakPolarHBondContact CD1-OH 3.46Å
51V93.6Very high94.4Very high62 Ų6279.9 Ų79.938%0.37637%0.369SS..SBendtrans-86.9157.9171.9-61.60000111.8R32 I67 A69 Y75R32-V51 PolarHBondContact NH2-O 3.47Å; V51-I67 WeakPolarHBondContact CA-O 3.1Å; V51-I67 VanDerWaalsContact CB-O 3.29Å; V51-I67 WeakPolarHBondContact CB-O 3.5Å; V51-A69 HydrophobicContact CG1-CB 4.1Å; V51-Y75 HydrophobicContact CG1-CD1 4.18Å; V51-Y75 HydrophobicContact CG1-CE1 4Å
52G95.3Very high94.4Very high30 Ų3083.2 Ų83.231%0.30937%0.374SS..EExtended strand (participates in β ladder)trans154.5-165.217600000113.8V66 I67G52-V66 WeakPolarHBondContact O-CA 3.17Å; G52-I67 PolarHBondContact N-O 2.84Å; G52-I67 PolarHBondContact O-N 2.67Å
53R96.7Very high94.4Very high119 Ų11981.9 Ų81.945%0.44937%0.367SS..EExtended strand (participates in β ladder)trans-133.5137.4-177.6174.2177.3166.2152.44.4109.9D55 A64 V65 V66R53-D55 IonicContact CZ-OD1 3.81Å; R53-D55 IonicContact CZ-OD2 3.39Å; R53-D55 IonicContact NE-OD1 3.73Å; R53-D55 IonicContact NE-OD2 3.35Å; R53-D55 PolarHBondContact NE-OD2 2.8Å; R53-D55 IonicContact NH2-OD1 3.24Å; R53-D55 PolarHBondContact NH2-OD1 3.34Å; R53-D55 IonicContact NH2-OD2 3.76Å; R53-A64 HydrophobicContact CG-CB 4.13Å; R53-V65 CarbonylContact C-O 3.57Å; R53-V65 VanDerWaalsContact CA-O 3.31Å; R53-V65 WeakPolarHBondContact CA-O 3.47Å; R53-V66 HydrophobicContact CB-CG2 4.49Å; R53-V66 HydrophobicContact CG-CG2 4.22Å
54E97.1Very high94.5Very high10 Ų1076.8 Ų76.85%0.04735%0.349CS..EExtended strand (participates in β ladder)trans-125.7110.4177-61-57.8161.600109.3R32 I34 L42 K44 A64 V65R32-E54 IonicContact CZ-OE1 2.85Å; R32-E54 IonicContact NH1-OE1 3.56Å; R32-E54 PolarHBondContact NH1-OE1 2.75Å; I34-E54 HydrophobicContact CD1-CB 3.9Å; L42-E54 HydrophobicContact CD1-CB 4.06Å; L42-E54 HydrophobicContact CD2-CG 4.48Å; K44-E54 WeakPolarHBondContact CE-OE2 3.21Å; K44-E54 IonicContact NZ-OE1 3.48Å; K44-E54 PolarHBondContact NZ-OE1 2.84Å; K44-E54 IonicContact NZ-OE2 2.91Å; K44-E54 PolarHBondContact NZ-OE2 2.84Å; E54-A64 CarbonylContact O-C 3.51Å; E54-A64 VanDerWaalsContact O-CA 3.23Å; E54-A64 WeakPolarHBondContact O-CA 3.13Å; E54-V65 PolarHBondContact N-O 2.88Å; E54-V65 PolarHBondContact O-N 3.18Å
55D97.7Very high94.6Very high60 Ų6073.1 Ų73.132%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-85.4139.2175.6-70.9-111.9000110.4R53 R62 C63R53-D55 IonicContact CZ-OD1 3.81Å; R53-D55 IonicContact CZ-OD2 3.39Å; R53-D55 IonicContact NE-OD1 3.73Å; R53-D55 IonicContact NE-OD2 3.35Å; R53-D55 PolarHBondContact NE-OD2 2.8Å; R53-D55 IonicContact NH2-OD1 3.24Å; R53-D55 PolarHBondContact NH2-OD1 3.34Å; R53-D55 IonicContact NH2-OD2 3.76Å; D55-R62 IonicContact OD1-CZ 3.16Å; D55-R62 IonicContact OD1-NE 3.65Å; D55-R62 PolarHBondContact OD1-NE 2.81Å; D55-R62 VanDerWaalsContact OD1-NE 3.16Å; D55-R62 IonicContact OD1-NH2 3.67Å; D55-R62 PolarHBondContact OD1-NH2 2.89Å; D55-C63 CarbonylContact C-O 3.58Å; D55-C63 WeakPolarHBondContact CA-O 3.31Å
56F97.9Very high94.9Very high13 Ų1369.5 Ų69.56%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-153.6178.8176.964.9-74.6000109.6I21 I34 V36 V41 V58 C63 V65 L79I21-F56 HydrophobicContact CD1-CE2 4.37Å; I21-F56 HydrophobicContact CD1-CZ 4.33Å; I21-F56 HydrophobicContact CG2-CE2 4.16Å; I21-F56 HydrophobicContact CG2-CZ 3.88Å; I34-F56 HydrophobicContact CD1-CD1 3.74Å; I34-F56 HydrophobicContact CD1-CE1 3.95Å; I34-F56 HydrophobicContact CD1-CG 4.38Å; I34-F56 HydrophobicContact CG2-CD1 4.44Å; I34-F56 HydrophobicContact CG2-CD2 4.21Å; I34-F56 HydrophobicContact CG2-CE1 4.28Å; I34-F56 HydrophobicContact CG2-CE2 3.99Å; I34-F56 HydrophobicContact CG2-CG 4.43Å; I34-F56 HydrophobicContact CG2-CZ 4.03Å; V36-F56 HydrophobicContact CG2-CD2 4.29Å; V36-F56 HydrophobicContact CG2-CE2 4.04Å; V41-F56 HydrophobicContact CG2-CB 4.42Å; V41-F56 HydrophobicContact CG2-CD2 3.96Å; V41-F56 HydrophobicContact CG2-CG 4.4Å; F56-V58 HydrophobicContact CD2-CG2 4.28Å; F56-V58 HydrophobicContact CE2-CG2 3.77Å; F56-C63 HydrophobicContact CD1-CB 4.02Å; F56-C63 HydrophobicContact CD2-CB 3.99Å; F56-C63 HydrophobicContact CE1-CB 3.58Å; F56-C63 HydrophobicContact CE2-CB 3.59Å; F56-C63 HydrophobicContact CG-CB 4.2Å; F56-C63 HydrophobicContact CZ-CB 3.36Å; F56-C63 PolarHBondContact N-O 3.23Å; F56-C63 PolarHBondContact O-N 3.38Å; F56-V65 HydrophobicContact CE1-CG2 3.9Å; F56-V65 HydrophobicContact CZ-CG2 4.39Å; F56-L79 HydrophobicContact CE1-CD1 4.14Å; F56-L79 HydrophobicContact CZ-CD1 3.87Å
57F96.9Very high95.2Very high124 Ų12461.5 Ų61.554%0.54428%0.284SS..EExtended strand (participates in β ladder)trans-122.5139.6178.6-74.8-91.8000111.2F61 R62F57-F61 WeakPolarHBondContact CA-O 3.28Å; F57-R62 HydrophobicContact CD1-CB 4.33Å; F57-R62 HydrophobicContact CE1-CB 3.79Å; F57-R62 HydrophobicContact CE1-CG 4.16Å; F57-R62 HydrophobicContact CZ-CB 4.27Å; F57-R62 HydrophobicContact CZ-CG 4.15Å
58V95.6Very high95.4Very high3 Ų364.2 Ų64.22%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-111.5102.1161.6-177.90000106L12 L14 H19 I21 V36 F56 K60 F61L12-V58 HydrophobicContact CD2-CB 4.2Å; L12-V58 HydrophobicContact CD2-CG1 4.25Å; L12-V58 HydrophobicContact CD2-CG2 4.3Å; L14-V58 HydrophobicContact CD1-CG1 3.91Å; H19-V58 HydrophobicContact CB-CG1 3.99Å; I21-V58 HydrophobicContact CD1-CG2 3.97Å; I21-V58 HydrophobicContact CG1-CG2 4.29Å; V36-V58 HydrophobicContact CG1-CG1 4.09Å; V36-V58 HydrophobicContact CG1-CG2 4.11Å; V36-V58 HydrophobicContact CG2-CG2 3.93Å; F56-V58 HydrophobicContact CD2-CG2 4.28Å; F56-V58 HydrophobicContact CE2-CG2 3.77Å; V58-K60 PolarHBondContact O-N 3.38Å; V58-K60 VanDerWaalsContact O-N 3.11Å; V58-F61 PolarHBondContact N-O 3.32Å; V58-F61 VanDerWaalsContact N-O 3.07Å; V58-F61 PolarHBondContact O-N 2.94Å
59K92Very high95.8Very high120 Ų12059 Ų5952%0.52229%0.285SS..THydrogen-bonded Turntrans55-112.7-169.4-59165.6178.5-980111.3L14 D16 H19L14-K59 HydrophobicContact CD1-CD 4.14Å; D16-K59 WeakPolarHBondContact OD1-CE 3.17Å; D16-K59 IonicContact OD1-NZ 2.66Å; D16-K59 PolarHBondContact OD1-NZ 3.19Å; D16-K59 WeakPolarHBondContact OD2-CE 3.27Å; D16-K59 IonicContact OD2-NZ 2.52Å; D16-K59 PolarHBondContact OD2-NZ 3.27Å; H19-K59 WeakPolarHBondContact CE1-CE 3.26Å; H19-K59 WeakPolarHBondContact NE2-CE 3.45Å
60K94.2Very high95.7Very high155 Ų15555.2 Ų55.267%0.67428%0.278SS*.THydrogen-bonded Turntrans-94.2-9.6179.468.6179-177.7-179.40113.8V58V58-K60 PolarHBondContact O-N 3.38Å; V58-K60 VanDerWaalsContact O-N 3.11Å
61F95.8Very high95.5Very high19 Ų1956.4 Ų56.48%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-87.2127.7-175.6-63.3-85.8000110L14 F57 V58 C63 V81 D82 F89 M93L14-F61 HydrophobicContact CD1-CD2 3.67Å; L14-F61 HydrophobicContact CD1-CE2 3.86Å; L14-F61 HydrophobicContact CD2-CD1 4.46Å; L14-F61 HydrophobicContact CD2-CD2 3.6Å; L14-F61 HydrophobicContact CD2-CE1 4.39Å; L14-F61 HydrophobicContact CD2-CE2 3.51Å; L14-F61 HydrophobicContact CD2-CG 4.1Å; L14-F61 HydrophobicContact CD2-CZ 3.92Å; L14-F61 HydrophobicContact CG-CD2 4.31Å; L14-F61 HydrophobicContact CG-CE2 4.2Å; F57-F61 WeakPolarHBondContact CA-O 3.28Å; V58-F61 PolarHBondContact N-O 3.32Å; V58-F61 VanDerWaalsContact N-O 3.07Å; V58-F61 PolarHBondContact O-N 2.94Å; F61-C63 PolarHBondContact O-N 2.81Å; F61-V81 HydrophobicContact CB-CG1 4.14Å; F61-D82 VanDerWaalsContact CD1-OD2 3.23Å; F61-D82 WeakPolarHBondContact CD1-OD2 3.03Å; F61-F89 HydrophobicContact CD1-CE2 4.08Å; F61-F89 AromaticContact CD1-CZ 3.67Å; F61-F89 HydrophobicContact CD1-CZ 3.67Å; F61-F89 HydrophobicContact CE1-CE2 4.26Å; F61-F89 AromaticContact CE1-CZ 3.75Å; F61-F89 HydrophobicContact CE1-CZ 3.75Å; F61-M93 HydrophobicContact CE1-CE 3.93Å; F61-M93 HydrophobicContact CZ-CE 3.91Å
62R97.2Very high95Very high134 Ų13459.4 Ų59.451%0.50631%0.308SS..EExtended strand (participates in β ladder)trans-81116.6177.3-176.3179.2174.4173.31.1108.8D55 F57 D82D55-R62 IonicContact OD1-CZ 3.16Å; D55-R62 IonicContact OD1-NE 3.65Å; D55-R62 PolarHBondContact OD1-NE 2.81Å; D55-R62 VanDerWaalsContact OD1-NE 3.16Å; D55-R62 IonicContact OD1-NH2 3.67Å; D55-R62 PolarHBondContact OD1-NH2 2.89Å; F57-R62 HydrophobicContact CD1-CB 4.33Å; F57-R62 HydrophobicContact CE1-CB 3.79Å; F57-R62 HydrophobicContact CE1-CG 4.16Å; F57-R62 HydrophobicContact CZ-CB 4.27Å; F57-R62 HydrophobicContact CZ-CG 4.15Å; R62-D82 PolarHBondContact N-OD1 2.82Å; R62-D82 PolarHBondContact O-N 2.85Å
63C98.2Very high94.4Very high1 Ų167 Ų671%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-109.3151.7-179.6-61.40000110.7D55 F56 F61 L79 I80D55-C63 CarbonylContact C-O 3.58Å; D55-C63 WeakPolarHBondContact CA-O 3.31Å; F56-C63 HydrophobicContact CD1-CB 4.02Å; F56-C63 HydrophobicContact CD2-CB 3.99Å; F56-C63 HydrophobicContact CE1-CB 3.58Å; F56-C63 HydrophobicContact CE2-CB 3.59Å; F56-C63 HydrophobicContact CG-CB 4.2Å; F56-C63 HydrophobicContact CZ-CB 3.36Å; F56-C63 PolarHBondContact N-O 3.23Å; F56-C63 PolarHBondContact O-N 3.38Å; F61-C63 PolarHBondContact O-N 2.81Å; C63-L79 HydrophobicContact CB-CD1 4.34Å; C63-I80 CarbonylContact C-O 3.43Å; C63-I80 VanDerWaalsContact CA-O 3.24Å; C63-I80 WeakPolarHBondContact CA-O 3.05Å
64A98.3Very high94.1Very high1 Ų163.5 Ų63.51%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-143.2127.3169.400000111R53 E54 I80R53-A64 HydrophobicContact CG-CB 4.13Å; E54-A64 CarbonylContact O-C 3.51Å; E54-A64 VanDerWaalsContact O-CA 3.23Å; E54-A64 WeakPolarHBondContact O-CA 3.13Å; A64-I80 HydrophobicContact CB-CB 4.38Å; A64-I80 PolarHBondContact N-O 2.87Å; A64-I80 PolarHBondContact O-N 2.92Å
65V98Very high94Very high0 Ų066 Ų660%034%0.336CS..EExtended strand (participates in β ladder)trans-85.6129.8166.2164.70000107.8W10 L23 I34 R53 E54 F56 I67 S78 L79W10-V65 HydrophobicContact CH2-CG2 4.16Å; W10-V65 HydrophobicContact CZ3-CG2 3.98Å; L23-V65 HydrophobicContact CD1-CG1 4.07Å; L23-V65 HydrophobicContact CD2-CG1 3.63Å; L23-V65 HydrophobicContact CG-CG1 4.41Å; I34-V65 HydrophobicContact CD1-CB 4.13Å; I34-V65 HydrophobicContact CD1-CG2 4Å; R53-V65 CarbonylContact C-O 3.57Å; R53-V65 VanDerWaalsContact CA-O 3.31Å; R53-V65 WeakPolarHBondContact CA-O 3.47Å; E54-V65 PolarHBondContact N-O 2.88Å; E54-V65 PolarHBondContact O-N 3.18Å; F56-V65 HydrophobicContact CE1-CG2 3.9Å; F56-V65 HydrophobicContact CZ-CG2 4.39Å; V65-I67 HydrophobicContact CG1-CG1 4.1Å; V65-S78 WeakPolarHBondContact CA-O 3.27Å; V65-L79 HydrophobicContact CG2-CD1 4.17Å
66V97.8Very high93.8Very high22 Ų2267.8 Ų67.813%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-115.4128.5175.5-173.60000108.5G52 R53 E68 Y77 S78 I80G52-V66 WeakPolarHBondContact O-CA 3.17Å; R53-V66 HydrophobicContact CB-CG2 4.49Å; R53-V66 HydrophobicContact CG-CG2 4.22Å; V66-E68 HydrophobicContact CG1-CG 3.95Å; V66-Y77 WeakPolarHBondContact O-CA 3.36Å; V66-S78 PolarHBondContact N-O 2.96Å; V66-S78 PolarHBondContact O-N 2.93Å; V66-I80 HydrophobicContact CG2-CD1 3.68Å; V66-I80 HydrophobicContact CG2-CG1 4.28Å
67I96.9Very high93.7Very high2 Ų269.6 Ų69.61%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-114.1117179.4-50-176.6000107.8L23 R32 V51 G52 V65 Y75 Q76 Y77L23-I67 HydrophobicContact CD2-CD1 4.45Å; R32-I67 HydrophobicContact CG-CD1 4.21Å; V51-I67 WeakPolarHBondContact CA-O 3.1Å; V51-I67 VanDerWaalsContact CB-O 3.29Å; V51-I67 WeakPolarHBondContact CB-O 3.5Å; G52-I67 PolarHBondContact N-O 2.84Å; G52-I67 PolarHBondContact O-N 2.67Å; V65-I67 HydrophobicContact CG1-CG1 4.1Å; I67-Y75 HydrophobicContact CG2-CD1 4.04Å; I67-Y75 HydrophobicContact CG2-CG 4.43Å; I67-Q76 WeakPolarHBondContact CA-O 3.49Å; I67-Y77 HydrophobicContact CB-CD1 4.48Å; I67-Y77 HydrophobicContact CD1-CE1 4.3Å; I67-Y77 HydrophobicContact CG1-CD1 4.03Å; I67-Y77 HydrophobicContact CG1-CE1 4.2Å; I67-Y77 HydrophobicContact CG2-CD1 4.15Å; I67-Y77 HydrophobicContact CG2-CE1 3.81Å
68E95.6Very high93.7Very high98 Ų9865.4 Ų65.446%0.45834%0.335SS..EExtended strand (participates in β ladder)trans-121.9149.9-177.8-68.4173.3128.600110.3V66 S70 Y75 Q76V66-E68 HydrophobicContact CG1-CG 3.95Å; E68-S70 PolarHBondContact O-N 2.85Å; E68-Y75 CarbonylContact O-C 3.51Å; E68-Y75 VanDerWaalsContact O-CA 3.23Å; E68-Y75 WeakPolarHBondContact O-CA 3.41Å; E68-Q76 PolarHBondContact N-O 3.16Å; E68-Q76 PolarHBondContact O-N 3.31Å
69A93.2Very high93.9Very high69 Ų6965.4 Ų65.457%0.5734%0.335SS*.EExtended strand (participates in β ladder)trans-77.3117.3170.500000108.2V51V51-A69 HydrophobicContact CG1-CB 4.1Å
70S89.6Confident94.1Very high74 Ų7461.6 Ų61.652%0.51732%0.32SS..EExtended strand (participates in β ladder)trans-89.4-35.3177.7177.80000111.1E68 S74E68-S70 PolarHBondContact O-N 2.85Å; S70-S74 PolarHBondContact N-O 3.39Å
71S87.8Confident94.3Very high69 Ų6954.2 Ų54.248%0.48329%0.288SS..EExtended strand (participates in β ladder)trans-148.4-175.2173.377.80000110.5F73 S74S71-F73 PolarHBondContact O-N 3.24Å; S71-F73 VanDerWaalsContact O-N 3.12Å; S71-S74 WeakPolarHBondContact CB-OG 3.31Å; S71-S74 PolarHBondContact N-O 2.74Å; S71-S74 PolarHBondContact N-OG 2.76Å; S71-S74 PolarHBondContact O-N 3.35Å; S71-S74 WeakPolarHBondContact OG-CB 3.37Å; S71-S74 PolarHBondContact OG-N 2.8Å; S71-S74 PolarHBondContact OG-OG 2.89Å
72V82.3Confident94.3Very high124 Ų12457.1 Ų57.175%0.75231%0.305SS*.THydrogen-bonded Turntrans-54.2-32.9179.7-173.80000112.6
73F84.4Confident94.2Very high190 Ų19054.1 Ų54.183%0.83332%0.315SS*.THydrogen-bonded Turntrans-130.616-177-58-69.2000113.8S71S71-F73 PolarHBondContact O-N 3.24Å; S71-F73 VanDerWaalsContact O-N 3.12Å
74S90.1Very high94.2Very high45 Ų4558.7 Ų58.732%0.31534%0.335SS..EExtended strand (participates in β ladder)trans-130.8148.6179.772.20000112.9S70 S71S70-S74 PolarHBondContact N-O 3.39Å; S71-S74 WeakPolarHBondContact CB-OG 3.31Å; S71-S74 PolarHBondContact N-O 2.74Å; S71-S74 PolarHBondContact N-OG 2.76Å; S71-S74 PolarHBondContact O-N 3.35Å; S71-S74 WeakPolarHBondContact OG-CB 3.37Å; S71-S74 PolarHBondContact OG-N 2.8Å; S71-S74 PolarHBondContact OG-OG 2.89Å
75Y93.5Very high94.1Very high63 Ų6362.4 Ų62.425%0.24736%0.359CS..EExtended strand (participates in β ladder)trans-115.6144177.6-61.8-83000110.2T27 L50 V51 I67 E68T27-Y75 HydrophobicContact CG2-CD2 3.89Å; T27-Y75 HydrophobicContact CG2-CE2 3.7Å; L50-Y75 HydrophobicContact CB-CE1 3.91Å; L50-Y75 WeakPolarHBondContact CD1-OH 3.46Å; V51-Y75 HydrophobicContact CG1-CD1 4.18Å; V51-Y75 HydrophobicContact CG1-CE1 4Å; I67-Y75 HydrophobicContact CG2-CD1 4.04Å; I67-Y75 HydrophobicContact CG2-CG 4.43Å; E68-Y75 CarbonylContact O-C 3.51Å; E68-Y75 VanDerWaalsContact O-CA 3.23Å; E68-Y75 WeakPolarHBondContact O-CA 3.41Å
76Q94.6Very high93.9Very high97 Ų9764 Ų6445%0.45337%0.366SS..EExtended strand (participates in β ladder)trans-104.5141.6168.2178.9174-32.400109.3I67 E68I67-Q76 WeakPolarHBondContact CA-O 3.49Å; E68-Q76 PolarHBondContact N-O 3.16Å; E68-Q76 PolarHBondContact O-N 3.31Å
77Y96.5Very high93.6Very high52 Ų5268.2 Ų68.220%0.20438%0.384CS..EExtended strand (participates in β ladder)trans-119122.4-179.8-54-76000109.2V7 A8 L23 H25 V66 I67V7-Y77 HydrophobicContact CB-CE2 3.86Å; V7-Y77 HydrophobicContact CG2-CD1 4.31Å; V7-Y77 HydrophobicContact CG2-CD2 4.35Å; V7-Y77 HydrophobicContact CG2-CE1 3.83Å; V7-Y77 HydrophobicContact CG2-CE2 3.89Å; A8-Y77 HydrophobicContact CB-CD2 4.3Å; A8-Y77 HydrophobicContact CB-CG 4.13Å; L23-Y77 HydrophobicContact CD2-CD1 3.34Å; L23-Y77 HydrophobicContact CD2-CE1 3.81Å; L23-Y77 HydrophobicContact CD2-CG 4.03Å; H25-Y77 HydrophobicContact CB-CE1 4.03Å; H25-Y77 AromaticContact ND1-CE1 3.5Å; H25-Y77 AromaticContact ND1-CZ 3.76Å; H25-Y77 PolarHBondContact ND1-OH 3.24Å; H25-Y77 VanDerWaalsContact ND1-OH 3.09Å; V66-Y77 WeakPolarHBondContact O-CA 3.36Å; I67-Y77 HydrophobicContact CB-CD1 4.48Å; I67-Y77 HydrophobicContact CD1-CE1 4.3Å; I67-Y77 HydrophobicContact CG1-CD1 4.03Å; I67-Y77 HydrophobicContact CG1-CE1 4.2Å; I67-Y77 HydrophobicContact CG2-CD1 4.15Å; I67-Y77 HydrophobicContact CG2-CE1 3.81Å
78S97Very high93.3Very high35 Ų3572 Ų7225%0.24541%0.407CS..EExtended strand (participates in β ladder)trans-123.5140.8179.7-59.40000109.3V65 V66V65-S78 WeakPolarHBondContact CA-O 3.27Å; V66-S78 PolarHBondContact N-O 2.96Å; V66-S78 PolarHBondContact O-N 2.93Å
79L98Very high93.2Very high4 Ų468 Ų682%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-107.7134.3172.2177.970.2000109.2W10 I21 F56 C63 V65 V81 F86W10-L79 HydrophobicContact CB-CD2 3.67Å; W10-L79 HydrophobicContact CD2-CB 3.79Å; W10-L79 HydrophobicContact CD2-CD2 3.98Å; W10-L79 HydrophobicContact CD2-CG 4.43Å; W10-L79 HydrophobicContact CE3-CB 4.4Å; W10-L79 HydrophobicContact CE3-CD2 4.43Å; W10-L79 HydrophobicContact CG-CB 4Å; W10-L79 HydrophobicContact CG-CD2 3.64Å; W10-L79 HydrophobicContact CG-CG 4.45Å; W10-L79 HydrophobicContact CZ2-CB 4.06Å; I21-L79 HydrophobicContact CD1-CD1 4.43Å; I21-L79 HydrophobicContact CD1-CD2 3.65Å; F56-L79 HydrophobicContact CE1-CD1 4.14Å; F56-L79 HydrophobicContact CZ-CD1 3.87Å; C63-L79 HydrophobicContact CB-CD1 4.34Å; V65-L79 HydrophobicContact CG2-CD1 4.17Å; L79-V81 HydrophobicContact CD2-CG2 4.1Å; L79-V81 HydrophobicContact CG-CG2 4.03Å; L79-F86 HydrophobicContact CB-CB 3.93Å; L79-F86 HydrophobicContact CD2-CB 4.32Å; L79-F86 HydrophobicContact CD2-CD2 3.69Å; L79-F86 HydrophobicContact CD2-CE2 4.37Å; L79-F86 HydrophobicContact CD2-CG 4.22Å; L79-F86 HydrophobicContact CG-CB 4.28Å; L79-F86 VanDerWaalsContact O-CB 3.3Å; L79-F86 WeakPolarHBondContact O-CB 3.14Å; L79-F86 PolarHBondContact O-N 3.17Å
80I98.1Very high92.9Very high40 Ų4064.8 Ų64.821%0.20536%0.362CS..EExtended strand (participates in β ladder)trans-115132.3173.8-60174.7000107.6C63 A64 V66 K84C63-I80 CarbonylContact C-O 3.43Å; C63-I80 VanDerWaalsContact CA-O 3.24Å; C63-I80 WeakPolarHBondContact CA-O 3.05Å; A64-I80 HydrophobicContact CB-CB 4.38Å; A64-I80 PolarHBondContact N-O 2.87Å; A64-I80 PolarHBondContact O-N 2.92Å; V66-I80 HydrophobicContact CG2-CD1 3.68Å; V66-I80 HydrophobicContact CG2-CG1 4.28Å; I80-K84 CarbonylContact C-O 3.57Å; I80-K84 VanDerWaalsContact CA-O 3.28Å; I80-K84 WeakPolarHBondContact CA-O 3.23Å; I80-K84 WeakPolarHBondContact CG2-O 3.48Å
81V97.2Very high92.6Very high0 Ų064.5 Ų64.50%035%0.354CS..EExtended strand (participates in β ladder)trans-128.4122.8178-171.50000108.8L12 F61 L79 G83 K84 F89L12-V81 HydrophobicContact CD1-CG1 4.34Å; L12-V81 HydrophobicContact CD1-CG2 3.99Å; L12-V81 HydrophobicContact CD2-CG1 4.38Å; L12-V81 HydrophobicContact CD2-CG2 4.42Å; F61-V81 HydrophobicContact CB-CG1 4.14Å; L79-V81 HydrophobicContact CD2-CG2 4.1Å; L79-V81 HydrophobicContact CG-CG2 4.03Å; V81-G83 PolarHBondContact O-N 2.8Å; V81-K84 PolarHBondContact N-O 2.87Å; V81-K84 PolarHBondContact O-N 3.37Å; V81-F89 HydrophobicContact CB-CB 4.14Å; V81-F89 HydrophobicContact CB-CD1 3.98Å; V81-F89 HydrophobicContact CB-CD2 3.87Å; V81-F89 HydrophobicContact CB-CE1 4.38Å; V81-F89 HydrophobicContact CB-CE2 4.26Å; V81-F89 HydrophobicContact CB-CG 3.71Å; V81-F89 HydrophobicContact CB-CZ 4.5Å; V81-F89 HydrophobicContact CG1-CD1 3.86Å; V81-F89 HydrophobicContact CG1-CD2 3.78Å; V81-F89 HydrophobicContact CG1-CE1 3.74Å; V81-F89 HydrophobicContact CG1-CE2 3.64Å; V81-F89 HydrophobicContact CG1-CG 3.89Å; V81-F89 HydrophobicContact CG1-CZ 3.62Å; V81-F89 HydrophobicContact CG2-CD1 4.49Å
82D95.6Very high92.6Very high80 Ų8063.6 Ų63.643%0.42835%0.348SS..THydrogen-bonded Turntrans46.844.7-174.5-75.7-6000112.9F61 R62 K84 F89F61-D82 VanDerWaalsContact CD1-OD2 3.23Å; F61-D82 WeakPolarHBondContact CD1-OD2 3.03Å; R62-D82 PolarHBondContact N-OD1 2.82Å; R62-D82 PolarHBondContact O-N 2.85Å; D82-K84 PolarHBondContact O-N 2.83Å; D82-F89 HydrophobicContact CB-CE2 4.23Å
83G96.3Very high92.7Very high70 Ų7058.9 Ų58.972%0.72232%0.318SS*.THydrogen-bonded Turntrans75.91.7178.500000115.2V81V81-G83 PolarHBondContact O-N 2.8Å
84K96.7Very high92.3Very high97 Ų9750.8 Ų50.842%0.42228%0.283SS..EExtended strand (participates in β ladder)trans-106.7145.1177.7-62.8178.7-175.5176.50111.2I80 V81 D82 F89I80-K84 CarbonylContact C-O 3.57Å; I80-K84 VanDerWaalsContact CA-O 3.28Å; I80-K84 WeakPolarHBondContact CA-O 3.23Å; I80-K84 WeakPolarHBondContact CG2-O 3.48Å; V81-K84 PolarHBondContact N-O 2.87Å; V81-K84 PolarHBondContact O-N 3.37Å; D82-K84 PolarHBondContact O-N 2.83Å; K84-F89 HydrophobicContact CB-CB 4.21Å
85P96.9Very high91.8Very high79 Ų7956.7 Ų56.751%0.51330%0.303SS..EExtended strand (participates in β ladder)trans-54.9143.6167.6-22.733.5000111Q87 T88 F89P85-Q87 VanDerWaalsContact C-N 3.33Å; P85-Q87 PolarHBondContact O-N 3.42Å; P85-T88 WeakPolarHBondContact O-CB 3.5Å; P85-T88 PolarHBondContact O-N 3.08Å; P85-F89 PolarHBondContact O-N 3.44Å
86F94.4Very high91.2Very high34 Ų3458.7 Ų58.715%0.14932%0.322CS..Hα-helixtrans-48.6-49.9-174.1166.9-104.1000113.4W10 N11 L12 L79 T88 F89 A90W10-F86 HydrophobicContact CB-CD2 4.41Å; W10-F86 HydrophobicContact CB-CE2 4.1Å; W10-F86 HydrophobicContact CB-CZ 4.21Å; W10-F86 AromaticContact CD1-CD1 3.7Å; W10-F86 AromaticContact CD1-CE1 3.96Å; W10-F86 AromaticContact CD1-CG 3.88Å; N11-F86 VanDerWaalsContact O-CZ 3.31Å; N11-F86 WeakPolarHBondContact O-CZ 3.45Å; L12-F86 HydrophobicContact CD1-CD2 4.38Å; L12-F86 HydrophobicContact CD1-CE2 4.22Å; L79-F86 HydrophobicContact CB-CB 3.93Å; L79-F86 HydrophobicContact CD2-CB 4.32Å; L79-F86 HydrophobicContact CD2-CD2 3.69Å; L79-F86 HydrophobicContact CD2-CE2 4.37Å; L79-F86 HydrophobicContact CD2-CG 4.22Å; L79-F86 HydrophobicContact CG-CB 4.28Å; L79-F86 VanDerWaalsContact O-CB 3.3Å; L79-F86 WeakPolarHBondContact O-CB 3.14Å; L79-F86 PolarHBondContact O-N 3.17Å; F86-T88 PolarHBondContact O-N 3.41Å; F86-F89 PolarHBondContact O-N 3.13Å; F86-F89 VanDerWaalsContact O-N 3.17Å; F86-A90 HydrophobicContact CE2-CB 4.35Å; F86-A90 HydrophobicContact CZ-CB 4.35Å; F86-A90 WeakPolarHBondContact O-CB 3.33Å; F86-A90 PolarHBondContact O-N 3.04Å
87Q90.5Very high90.2Very high111 Ų11155.9 Ų55.952%0.51931%0.31SS..Hα-helixtrans-59.5-46.5-178.5-166.763.946.800111.7P85 F89 A90 D91P85-Q87 VanDerWaalsContact C-N 3.33Å; P85-Q87 PolarHBondContact O-N 3.42Å; Q87-F89 VanDerWaalsContact C-N 3.32Å; Q87-F89 PolarHBondContact O-N 2.84Å; Q87-A90 PolarHBondContact O-N 2.66Å; Q87-D91 PolarHBondContact NE2-OD1 2.94Å; Q87-D91 WeakPolarHBondContact O-CB 3.49Å; Q87-D91 PolarHBondContact O-N 3.3Å
88T92.2Very high89.2Confident80 Ų8060.2 Ų60.249%0.49133%0.33SS..Hα-helixtrans-63.1-38.7178.1-50.30000112.2P85 F86 S92P85-T88 WeakPolarHBondContact O-CB 3.5Å; P85-T88 PolarHBondContact O-N 3.08Å; F86-T88 PolarHBondContact O-N 3.41Å; T88-S92 WeakPolarHBondContact O-CB 3.31Å; T88-S92 PolarHBondContact O-N 3.07Å
89F92.8Very high87.9Confident15 Ų1559.2 Ų59.27%0.06632%0.324CS..Hα-helixtrans-66.6-49.6175.4-178.9-85.9000111.3L12 L14 F61 V81 D82 K84 P85 F86 Q87 D91 S92 M93L12-F89 HydrophobicContact CD1-CD1 3.75Å; L12-F89 HydrophobicContact CD1-CE1 3.69Å; L14-F89 HydrophobicContact CD2-CE1 4.16Å; L14-F89 HydrophobicContact CD2-CZ 4.35Å; F61-F89 HydrophobicContact CD1-CE2 4.08Å; F61-F89 AromaticContact CD1-CZ 3.67Å; F61-F89 HydrophobicContact CD1-CZ 3.67Å; F61-F89 HydrophobicContact CE1-CE2 4.26Å; F61-F89 AromaticContact CE1-CZ 3.75Å; F61-F89 HydrophobicContact CE1-CZ 3.75Å; V81-F89 HydrophobicContact CB-CB 4.14Å; V81-F89 HydrophobicContact CB-CD1 3.98Å; V81-F89 HydrophobicContact CB-CD2 3.87Å; V81-F89 HydrophobicContact CB-CE1 4.38Å; V81-F89 HydrophobicContact CB-CE2 4.26Å; V81-F89 HydrophobicContact CB-CG 3.71Å; V81-F89 HydrophobicContact CB-CZ 4.5Å; V81-F89 HydrophobicContact CG1-CD1 3.86Å; V81-F89 HydrophobicContact CG1-CD2 3.78Å; V81-F89 HydrophobicContact CG1-CE1 3.74Å; V81-F89 HydrophobicContact CG1-CE2 3.64Å; V81-F89 HydrophobicContact CG1-CG 3.89Å; V81-F89 HydrophobicContact CG1-CZ 3.62Å; V81-F89 HydrophobicContact CG2-CD1 4.49Å; D82-F89 HydrophobicContact CB-CE2 4.23Å; K84-F89 HydrophobicContact CB-CB 4.21Å; P85-F89 PolarHBondContact O-N 3.44Å; F86-F89 PolarHBondContact O-N 3.13Å; F86-F89 VanDerWaalsContact O-N 3.17Å; Q87-F89 VanDerWaalsContact C-N 3.32Å; Q87-F89 PolarHBondContact O-N 2.84Å; F89-D91 PolarHBondContact O-N 3.35Å; F89-S92 WeakPolarHBondContact O-CB 3.31Å; F89-S92 PolarHBondContact O-N 3.1Å; F89-M93 HydrophobicContact CE1-CB 4.26Å; F89-M93 HydrophobicContact CE1-CE 3.79Å; F89-M93 HydrophobicContact CE2-CE 4.37Å; F89-M93 HydrophobicContact CZ-CE 3.45Å; F89-M93 VanDerWaalsContact CZ-CE 3.45Å; F89-M93 WeakPolarHBondContact O-CB 3.37Å; F89-M93 PolarHBondContact O-N 3.11Å
90A85.8Confident86.6Confident2 Ų262.3 Ų62.32%0.01734%0.335CS..Hα-helixtrans-59.3-47.1-178.400000111P13 F86 Q87 S92 M93 M94P13-A90 HydrophobicContact CG-CB 4.13Å; F86-A90 HydrophobicContact CE2-CB 4.35Å; F86-A90 HydrophobicContact CZ-CB 4.35Å; F86-A90 WeakPolarHBondContact O-CB 3.33Å; F86-A90 PolarHBondContact O-N 3.04Å; Q87-A90 PolarHBondContact O-N 2.66Å; A90-S92 VanDerWaalsContact C-N 3.31Å; A90-S92 PolarHBondContact O-N 2.89Å; A90-M93 PolarHBondContact O-N 2.84Å; A90-M93 VanDerWaalsContact O-N 3.17Å; A90-M94 HydrophobicContact CB-CE 4.26Å; A90-M94 WeakPolarHBondContact O-CB 3.26Å; A90-M94 WeakPolarHBondContact O-CG 3.31Å; A90-M94 PolarHBondContact O-N 2.9Å
91D84.1Confident85.2Confident67 Ų6765.1 Ų65.136%0.35835%0.347SS..Hα-helixtrans-60.4-41.4177-64.7-13.6000111.8Q87 F89 K95Q87-D91 PolarHBondContact NE2-OD1 2.94Å; Q87-D91 WeakPolarHBondContact O-CB 3.49Å; Q87-D91 PolarHBondContact O-N 3.3Å; F89-D91 PolarHBondContact O-N 3.35Å; D91-K95 VanDerWaalsContact O-CG 3.29Å; D91-K95 WeakPolarHBondContact O-CG 3.12Å; D91-K95 PolarHBondContact O-N 2.81Å; D91-K95 VanDerWaalsContact O-N 3.08Å
92S87.3Confident83.9Confident51 Ų5166.9 Ų66.936%0.35736%0.358SS..Hα-helixtrans-64.8-43.5176.3-173.30000111.3T88 F89 A90 K95 T96T88-S92 WeakPolarHBondContact O-CB 3.31Å; T88-S92 PolarHBondContact O-N 3.07Å; F89-S92 WeakPolarHBondContact O-CB 3.31Å; F89-S92 PolarHBondContact O-N 3.1Å; A90-S92 VanDerWaalsContact C-N 3.31Å; A90-S92 PolarHBondContact O-N 2.89Å; S92-K95 PolarHBondContact O-N 3.22Å; S92-T96 PolarHBondContact O-N 3.42Å; S92-T96 PolarHBondContact O-OG1 2.98Å; S92-T96 VanDerWaalsContact O-OG1 3.1Å
93M85Confident82.7Confident25 Ų2567.4 Ų67.412%0.12337%0.365CS..Hα-helixtrans-66.4-43.9180-172.76372.600110.9P13 L14 F61 F89 A90 K95 T96 L97P13-M93 VanDerWaalsContact O-CG 3.31Å; P13-M93 WeakPolarHBondContact O-CG 3.38Å; L14-M93 HydrophobicContact CD2-CE 4.25Å; F61-M93 HydrophobicContact CE1-CE 3.93Å; F61-M93 HydrophobicContact CZ-CE 3.91Å; F89-M93 HydrophobicContact CE1-CB 4.26Å; F89-M93 HydrophobicContact CE1-CE 3.79Å; F89-M93 HydrophobicContact CE2-CE 4.37Å; F89-M93 HydrophobicContact CZ-CE 3.45Å; F89-M93 VanDerWaalsContact CZ-CE 3.45Å; F89-M93 WeakPolarHBondContact O-CB 3.37Å; F89-M93 PolarHBondContact O-N 3.11Å; A90-M93 PolarHBondContact O-N 2.84Å; A90-M93 VanDerWaalsContact O-N 3.17Å; M93-K95 VanDerWaalsContact C-N 3.33Å; M93-K95 PolarHBondContact O-N 3.46Å; M93-T96 PolarHBondContact O-N 2.97Å; M93-T96 VanDerWaalsContact O-N 3.13Å; M93-L97 HydrophobicContact CG-CD1 3.72Å; M93-L97 HydrophobicContact CG-CG 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.49Å; M93-L97 VanDerWaalsContact O-CG 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.36Å; M93-L97 PolarHBondContact O-N 2.93Å; M93-L97 HydrophobicContact SD-CD1 4.15Å; M93-L97 HydrophobicContact SD-CG 4.14Å
94M76.2Confident81.4Confident20 Ų2064.6 Ų64.610%0.09933%0.333CS..Hα-helixtrans-59.5-43.3175.9-71.5-173.5-148.300111.6P13 A90 T96 L97 K98 A99 Y110P13-M94 HydrophobicContact CG-CE 4.07Å; P13-M94 HydrophobicContact CG-CG 4.37Å; A90-M94 HydrophobicContact CB-CE 4.26Å; A90-M94 WeakPolarHBondContact O-CB 3.26Å; A90-M94 WeakPolarHBondContact O-CG 3.31Å; A90-M94 PolarHBondContact O-N 2.9Å; M94-T96 VanDerWaalsContact C-N 3.35Å; M94-T96 PolarHBondContact O-N 3.38Å; M94-L97 CarbonylContact O-C 3.51Å; M94-L97 PolarHBondContact O-N 3.32Å; M94-K98 WeakPolarHBondContact O-CA 3.29Å; M94-K98 PolarHBondContact O-N 2.81Å; M94-A99 HydrophobicContact CB-CB 4.2Å; M94-A99 HydrophobicContact CG-CB 4.29Å; M94-A99 PolarHBondContact O-N 3.17Å; M94-Y110 HydrophobicContact CE-CD1 3.89Å; M94-Y110 HydrophobicContact CE-CE1 3.34Å; M94-Y110 HydrophobicContact SD-CD1 4.27Å; M94-Y110 HydrophobicContact SD-CE1 4.22Å
95K79.5Confident80.5Confident168 Ų16866.5 Ų66.573%0.7335%0.348SS*.Hα-helixtrans-59.5-44.5173.6-73.4170.4-176.1174.20112.1D91 S92 M93 K98D91-K95 VanDerWaalsContact O-CG 3.29Å; D91-K95 WeakPolarHBondContact O-CG 3.12Å; D91-K95 PolarHBondContact O-N 2.81Å; D91-K95 VanDerWaalsContact O-N 3.08Å; S92-K95 PolarHBondContact O-N 3.22Å; M93-K95 VanDerWaalsContact C-N 3.33Å; M93-K95 PolarHBondContact O-N 3.46Å; K95-K98 PolarHBondContact O-N 3.17Å
96T80.1Confident79.2Confident105 Ų10566.1 Ų66.164%0.64436%0.358SS*.Hα-helixtrans-64.6-41.5178-61.80000112.1S92 M93 M94 K98S92-T96 PolarHBondContact O-N 3.42Å; S92-T96 PolarHBondContact O-OG1 2.98Å; S92-T96 VanDerWaalsContact O-OG1 3.1Å; M93-T96 PolarHBondContact O-N 2.97Å; M93-T96 VanDerWaalsContact O-N 3.13Å; M94-T96 VanDerWaalsContact C-N 3.35Å; M94-T96 PolarHBondContact O-N 3.38Å; T96-K98 PolarHBondContact O-N 3.4Å
97L73.4Confident77.9Confident38 Ų3866.3 Ų66.320%0.19937%0.366CS..Hα-helixtrans-77.7-5.5178.3-65.4176.2000113.3L14 N15 M93 M94 A99 L122L14-L97 WeakPolarHBondContact O-CD1 3.34Å; N15-L97 HydrophobicContact CB-CD2 4.1Å; M93-L97 HydrophobicContact CG-CD1 3.72Å; M93-L97 HydrophobicContact CG-CG 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.49Å; M93-L97 VanDerWaalsContact O-CG 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.36Å; M93-L97 PolarHBondContact O-N 2.93Å; M93-L97 HydrophobicContact SD-CD1 4.15Å; M93-L97 HydrophobicContact SD-CG 4.14Å; M94-L97 CarbonylContact O-C 3.51Å; M94-L97 PolarHBondContact O-N 3.32Å; L97-A99 HydrophobicContact CB-CB 3.97Å; L97-A99 PolarHBondContact O-N 2.98Å; L97-L122 HydrophobicContact CD1-CD1 4.29Å
98K76Confident76.7Confident144 Ų14463.9 Ų63.963%0.62636%0.36SS*.THydrogen-bonded Turntrans49.346.1-167.6-58.5178.6-178.6176.40110.7M94 K95 T96 W100 L113M94-K98 WeakPolarHBondContact O-CA 3.29Å; M94-K98 PolarHBondContact O-N 2.81Å; K95-K98 PolarHBondContact O-N 3.17Å; T96-K98 PolarHBondContact O-N 3.4Å; K98-W100 VanDerWaalsContact O-CZ3 3.28Å; K98-W100 WeakPolarHBondContact O-CZ3 3.32Å; K98-L113 HydrophobicContact CB-CB 4.47Å; K98-L113 PolarHBondContact O-N 2.94Å; K98-L113 VanDerWaalsContact O-N 3.13Å
99A70.4Confident75.6Confident14 Ų1460.9 Ų60.912%0.11634%0.34CS..EExtended strand (participates in β ladder)trans-103.4153.2-17900000111.2M94 L97 V111 C112M94-A99 HydrophobicContact CB-CB 4.2Å; M94-A99 HydrophobicContact CG-CB 4.29Å; M94-A99 PolarHBondContact O-N 3.17Å; L97-A99 HydrophobicContact CB-CB 3.97Å; L97-A99 PolarHBondContact O-N 2.98Å; A99-V111 CarbonylContact C-O 3.56Å; A99-V111 WeakPolarHBondContact CA-O 3.34Å; A99-C112 HydrophobicContact CB-CB 4.38Å; A99-C112 WeakPolarHBondContact CB-SG 3.16Å
100W69.2Low74.5Confident68 Ų6860.8 Ų60.826%0.25834%0.339SS..EExtended strand (participates in β ladder)trans-137.2147.8168.252.393.2000110.3K98 Y110 V111 L113 F147K98-W100 VanDerWaalsContact O-CZ3 3.28Å; K98-W100 WeakPolarHBondContact O-CZ3 3.32Å; W100-Y110 WeakPolarHBondContact O-CA 3.43Å; W100-V111 HydrophobicContact CD2-CB 4.37Å; W100-V111 HydrophobicContact CH2-CG1 4.28Å; W100-V111 HydrophobicContact CZ2-CB 4.03Å; W100-V111 HydrophobicContact CZ2-CG1 3.45Å; W100-V111 VanDerWaalsContact CZ2-CG1 3.45Å; W100-V111 PolarHBondContact N-O 2.81Å; W100-V111 PolarHBondContact O-N 2.82Å; W100-L113 HydrophobicContact CH2-CB 4.4Å; W100-L113 HydrophobicContact CH2-CD1 3.45Å; W100-L113 VanDerWaalsContact CH2-CD1 3.45Å; W100-L113 HydrophobicContact CH2-CG 3.64Å; W100-L113 HydrophobicContact CZ3-CB 4.38Å; W100-L113 HydrophobicContact CZ3-CD1 3.7Å; W100-L113 HydrophobicContact CZ3-CG 4.05Å; W100-F147 AromaticContact CH2-CE1 3.8Å; W100-F147 HydrophobicContact CH2-CE1 3.8Å; W100-F147 HydrophobicContact CH2-CZ 4.19Å; W100-F147 HydrophobicContact CZ2-CD1 4.49Å; W100-F147 AromaticContact CZ2-CE1 3.48Å; W100-F147 HydrophobicContact CZ2-CE1 3.48Å; W100-F147 VanDerWaalsContact CZ2-CE1 3.48Å; W100-F147 HydrophobicContact CZ2-CZ 4.09Å
101E68.9Low73.7Confident99 Ų9960.9 Ų60.946%0.46334%0.339SS..EExtended strand (participates in β ladder)trans-81.2138.6168.5-167.1172.1161.500109.6Y109 Y110E101-Y109 CarbonylContact C-O 3.58Å; E101-Y109 VanDerWaalsContact CA-O 3.27Å; E101-Y109 WeakPolarHBondContact CA-O 3.29Å; E101-Y110 HydrophobicContact CB-CD1 3.95Å; E101-Y110 HydrophobicContact CB-CE1 3.71Å; E101-Y110 HydrophobicContact CG-CD1 4.11Å; E101-Y110 HydrophobicContact CG-CE1 3.64Å; E101-Y110 VanDerWaalsContact OE2-CE1 3.31Å; E101-Y110 WeakPolarHBondContact OE2-CE1 3.3Å; E101-Y110 PolarHBondContact OE2-OH 3.05Å
102T70.6Confident72.7Confident37 Ų3758.2 Ų58.223%0.22733%0.326CS..EExtended strand (participates in β ladder)trans-139.4152.6173.9-170.60000109.3L104 Y109 V111T102-L104 HydrophobicContact CG2-CD1 4.25Å; T102-Y109 PolarHBondContact N-O 3.43Å; T102-Y109 WeakPolarHBondContact O-CA 3.46Å; T102-Y109 PolarHBondContact O-N 2.8Å; T102-V111 HydrophobicContact CG2-CG2 3.76Å
103T69.8Low71.4Confident92 Ų9258 Ų5856%0.56432%0.32SS*.EExtended strand (participates in β ladder)trans-109.3124.6177.9-41.50000109.3A107T103-A107 WeakPolarHBondContact CA-O 3.31Å; T103-A107 WeakPolarHBondContact CG2-O 3.42Å
104L69.7Low70Confident10 Ų1058 Ų585%0.05233%0.327CS..EExtended strand (participates in β ladder)trans-122.3124.4173.4-81.7141.3000108.3T102 G106 A107 Y109 Y132 I133T102-L104 HydrophobicContact CG2-CD1 4.25Å; L104-G106 PolarHBondContact O-N 3.21Å; L104-G106 VanDerWaalsContact O-N 3.14Å; L104-A107 PolarHBondContact N-O 3.39Å; L104-A107 PolarHBondContact O-N 3.45Å; L104-Y109 HydrophobicContact CB-CD2 3.79Å; L104-Y109 HydrophobicContact CB-CE2 3.56Å; L104-Y109 HydrophobicContact CD1-CD2 4.14Å; L104-Y109 HydrophobicContact CD1-CE2 4.49Å; L104-Y109 HydrophobicContact CD1-CG 4.28Å; L104-Y109 WeakPolarHBondContact O-CE2 3.43Å; L104-Y132 HydrophobicContact CD2-CD1 4.2Å; L104-I133 HydrophobicContact CD1-CD1 3.65Å; L104-I133 HydrophobicContact CD1-CG1 3.59Å
105D77.4Confident68.8Low138 Ų13864 Ų6474%0.73837%0.365SS*.THydrogen-bonded Turntrans49.839.2-178.7-56.9-23.1000113.9A107D105-A107 PolarHBondContact O-N 2.83Å
106G70.9Confident67.4Low71 Ų7162.6 Ų62.673%0.73237%0.365SS*.THydrogen-bonded Turntrans77.7-4.8179.800000115L104L104-G106 PolarHBondContact O-N 3.21Å; L104-G106 VanDerWaalsContact O-N 3.14Å
107A65.6Low65.8Low38 Ų3859.3 Ų59.331%0.31435%0.347SS..EExtended strand (participates in β ladder)trans-94.4138.317400000110.8T103 L104 D105 Y109T103-A107 WeakPolarHBondContact CA-O 3.31Å; T103-A107 WeakPolarHBondContact CG2-O 3.42Å; L104-A107 PolarHBondContact N-O 3.39Å; L104-A107 PolarHBondContact O-N 3.45Å; D105-A107 PolarHBondContact O-N 2.83Å; A107-Y109 HydrophobicContact CB-CE2 3.64Å; A107-Y109 WeakPolarHBondContact O-CD2 3.3Å; A107-Y109 WeakPolarHBondContact O-CE2 3.33Å
108P65.6Low64.6Low60 Ų6058.8 Ų58.839%0.3935%0.346SS..EExtended strand (participates in β ladder)trans-77.7139.3174.631.2-33.2000111
109Y69Low63.3Low16 Ų1653 Ų536%0.06332%0.323CS..EExtended strand (participates in β ladder)trans-131.4145.3178.1-66.4-107000110.9E101 T102 L104 A107 I121 S123 P125 L129E101-Y109 CarbonylContact C-O 3.58Å; E101-Y109 VanDerWaalsContact CA-O 3.27Å; E101-Y109 WeakPolarHBondContact CA-O 3.29Å; T102-Y109 PolarHBondContact N-O 3.43Å; T102-Y109 WeakPolarHBondContact O-CA 3.46Å; T102-Y109 PolarHBondContact O-N 2.8Å; L104-Y109 HydrophobicContact CB-CD2 3.79Å; L104-Y109 HydrophobicContact CB-CE2 3.56Å; L104-Y109 HydrophobicContact CD1-CD2 4.14Å; L104-Y109 HydrophobicContact CD1-CE2 4.49Å; L104-Y109 HydrophobicContact CD1-CG 4.28Å; L104-Y109 WeakPolarHBondContact O-CE2 3.43Å; A107-Y109 HydrophobicContact CB-CE2 3.64Å; A107-Y109 WeakPolarHBondContact O-CD2 3.3Å; A107-Y109 WeakPolarHBondContact O-CE2 3.33Å; Y109-I121 HydrophobicContact CD1-CG2 4Å; Y109-S123 WeakPolarHBondContact CA-OG 3.23Å; Y109-S123 WeakPolarHBondContact CB-OG 3.45Å; Y109-P125 HydrophobicContact CD1-CG 4.26Å; Y109-P125 VanDerWaalsContact CE1-CD 3.44Å; Y109-P125 HydrophobicContact CE1-CG 3.16Å; Y109-P125 WeakPolarHBondContact OH-CG 3.22Å; Y109-L129 HydrophobicContact CE1-CD1 4.23Å; Y109-L129 WeakPolarHBondContact OH-CD1 3.24Å
110Y69.9Low62.5Low14 Ų1455.6 Ų55.66%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-109.7124.9173.5-63.5-79000109.5N11 V18 M94 W100 E101 I121 L122 S123N11-Y110 HydrophobicContact CB-CE2 4.24Å; V18-Y110 HydrophobicContact CB-CD2 4.44Å; V18-Y110 HydrophobicContact CG1-CD2 4.29Å; V18-Y110 HydrophobicContact CG1-CE2 4.1Å; V18-Y110 HydrophobicContact CG2-CD2 3.39Å; V18-Y110 HydrophobicContact CG2-CE2 4.01Å; V18-Y110 HydrophobicContact CG2-CG 3.97Å; M94-Y110 HydrophobicContact CE-CD1 3.89Å; M94-Y110 HydrophobicContact CE-CE1 3.34Å; M94-Y110 HydrophobicContact SD-CD1 4.27Å; M94-Y110 HydrophobicContact SD-CE1 4.22Å; W100-Y110 WeakPolarHBondContact O-CA 3.43Å; E101-Y110 HydrophobicContact CB-CD1 3.95Å; E101-Y110 HydrophobicContact CB-CE1 3.71Å; E101-Y110 HydrophobicContact CG-CD1 4.11Å; E101-Y110 HydrophobicContact CG-CE1 3.64Å; E101-Y110 VanDerWaalsContact OE2-CE1 3.31Å; E101-Y110 WeakPolarHBondContact OE2-CE1 3.3Å; E101-Y110 PolarHBondContact OE2-OH 3.05Å; Y110-I121 CarbonylContact O-C 3.59Å; Y110-I121 WeakPolarHBondContact O-CA 3.4Å; Y110-L122 PolarHBondContact O-N 3.09Å; Y110-S123 PolarHBondContact N-OG 2.92Å
111V70Confident61.8Low3 Ų354.4 Ų54.42%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-119.3124.6-176.4-177.50000108.9A99 W100 T102 V119A99-V111 CarbonylContact C-O 3.56Å; A99-V111 WeakPolarHBondContact CA-O 3.34Å; W100-V111 HydrophobicContact CD2-CB 4.37Å; W100-V111 HydrophobicContact CH2-CG1 4.28Å; W100-V111 HydrophobicContact CZ2-CB 4.03Å; W100-V111 HydrophobicContact CZ2-CG1 3.45Å; W100-V111 VanDerWaalsContact CZ2-CG1 3.45Å; W100-V111 PolarHBondContact N-O 2.81Å; W100-V111 PolarHBondContact O-N 2.82Å; T102-V111 HydrophobicContact CG2-CG2 3.76Å; V111-V119 HydrophobicContact CG1-CG1 3.37Å
112C63.1Low61.2Low11 Ų1150.9 Ų50.97%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-113146.7179.8-65.70000111.8A99 V119 V120 L122A99-C112 HydrophobicContact CB-CB 4.38Å; A99-C112 WeakPolarHBondContact CB-SG 3.16Å; C112-V119 CarbonylContact O-C 3.54Å; C112-V119 WeakPolarHBondContact O-CA 3.44Å; C112-V120 HydrophobicContact CB-CB 4.44Å; C112-V120 PolarHBondContact N-O 3.27Å; C112-V120 PolarHBondContact O-N 2.85Å; C112-L122 HydrophobicContact CB-CG 4.47Å; C112-L122 WeakPolarHBondContact SG-CD1 3.21Å; C112-L122 WeakPolarHBondContact SG-CG 3.47Å
113L59.9Low60.2Low46 Ų4650.2 Ų50.224%0.24132%0.316CS..EExtended strand (participates in β ladder)trans-96.5109.6164.3-91.6159.4000110.5K98 W100 V119 C155K98-L113 HydrophobicContact CB-CB 4.47Å; K98-L113 PolarHBondContact O-N 2.94Å; K98-L113 VanDerWaalsContact O-N 3.13Å; W100-L113 HydrophobicContact CH2-CB 4.4Å; W100-L113 HydrophobicContact CH2-CD1 3.45Å; W100-L113 VanDerWaalsContact CH2-CD1 3.45Å; W100-L113 HydrophobicContact CH2-CG 3.64Å; W100-L113 HydrophobicContact CZ3-CB 4.38Å; W100-L113 HydrophobicContact CZ3-CD1 3.7Å; W100-L113 HydrophobicContact CZ3-CG 4.05Å; L113-V119 HydrophobicContact CD2-CG2 4.37Å; L113-C155 WeakPolarHBondContact CD2-SG 3.49Å
114G54.8Low58.9Low26 Ų2655.2 Ų55.227%0.26833%0.331SS..  trans-64.1159.2170.100000112.4N116 C117 S118G114-N116 PolarHBondContact O-N 3.18Å; G114-N116 VanDerWaalsContact O-N 3.08Å; G114-C117 PolarHBondContact O-N 2.81Å; G114-S118 PolarHBondContact N-O 2.83Å
115T51Low57.8Low145 Ų14557.4 Ų57.489%0.8935%0.345SS*.THydrogen-bonded Turntrans-57.1-27.1-176.5-21.90000113.5
116N49.9Very low56Low139 Ų13955.6 Ų55.674%0.74334%0.341SS*.THydrogen-bonded Turntrans-99.826.3176.9-74.1-11.4000113.3G114 S118G114-N116 PolarHBondContact O-N 3.18Å; G114-N116 VanDerWaalsContact O-N 3.08Å; N116-S118 VanDerWaalsContact C-N 3.25Å; N116-S118 PolarHBondContact O-N 2.88Å
117C46.8Very low54.7Low37 Ų3756.6 Ų56.625%0.2534%0.342CS..SBendtrans61.637.6175.8-53.20000111.7G114 R154 C155 E156G114-C117 PolarHBondContact O-N 2.81Å; C117-R154 WeakPolarHBondContact CB-O 3.39Å; C117-C155 HydrophobicContact CB-CB 3.87Å; C117-C155 WeakPolarHBondContact CB-SG 3.29Å; C117-C155 CarbonylContact O-C 3.55Å; C117-C155 WeakPolarHBondContact O-CA 3.39Å; C117-C155 WeakPolarHBondContact O-CB 3.17Å; C117-C155 PolarHBondContact O-SG 3.44Å; C117-E156 PolarHBondContact O-N 3.12Å; C117-E156 VanDerWaalsContact O-N 3.14Å
118S48.7Very low53.4Low26 Ų2662.9 Ų62.918%0.18237%0.365CS..  trans-101.7127.5171.135.40000108.9G114 N116 V120G114-S118 PolarHBondContact N-O 2.83Å; N116-S118 VanDerWaalsContact C-N 3.25Å; N116-S118 PolarHBondContact O-N 2.88Å; S118-V120 PolarHBondContact O-N 2.9Å
119V48.9Very low52.3Low24 Ų2461.2 Ų61.215%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-79.1118.2174.8179.40000107.8V111 C112 L113 M157V111-V119 HydrophobicContact CG1-CG1 3.37Å; C112-V119 CarbonylContact O-C 3.54Å; C112-V119 WeakPolarHBondContact O-CA 3.44Å; L113-V119 HydrophobicContact CD2-CG2 4.37Å; V119-M157 HydrophobicContact CB-CG 4.28Å
120V53.4Low51.2Low67 Ų6762.2 Ų62.241%0.40636%0.362SS..EExtended strand (participates in β ladder)trans-112120.7176.8-177.10000108C112 S118 L122C112-V120 HydrophobicContact CB-CB 4.44Å; C112-V120 PolarHBondContact N-O 3.27Å; C112-V120 PolarHBondContact O-N 2.85Å; S118-V120 PolarHBondContact O-N 2.9Å; V120-L122 HydrophobicContact CG1-CD2 4.03Å
121I53.8Low49.7Very low43 Ų4367.9 Ų67.922%0.22139%0.391CS..EExtended strand (participates in β ladder)trans-88.5112.6174-52.7157.7000106.6Y109 Y110 S123 I133Y109-I121 HydrophobicContact CD1-CG2 4Å; Y110-I121 CarbonylContact O-C 3.59Å; Y110-I121 WeakPolarHBondContact O-CA 3.4Å; I121-S123 VanDerWaalsContact CG2-O 3.22Å; I121-S123 WeakPolarHBondContact CG2-O 3.48Å; I121-S123 PolarHBondContact O-N 3.28Å; I121-I133 HydrophobicContact CD1-CD1 3.25Å; I121-I133 HydrophobicContact CD1-CG1 4.48Å; I121-I133 HydrophobicContact CG1-CD1 3.88Å
122L56.7Low48.4Very low26 Ų2673.3 Ų73.314%0.13641%0.412CS..SBendtrans-78.1-5.8-177.5-62.9-176000113.8V18 L97 Y110 C112 V120V18-L122 HydrophobicContact CG2-CB 3.95Å; L97-L122 HydrophobicContact CD1-CD1 4.29Å; Y110-L122 PolarHBondContact O-N 3.09Å; C112-L122 HydrophobicContact CB-CG 4.47Å; C112-L122 WeakPolarHBondContact SG-CD1 3.21Å; C112-L122 WeakPolarHBondContact SG-CG 3.47Å; V120-L122 HydrophobicContact CG1-CD2 4.03Å
123S49.8Very low47.7Very low23 Ų2373.1 Ų73.116%0.16141%0.41CS..SBendtrans-118.6103.7175.452.10000108.3Y109 Y110 I121 P125Y109-S123 WeakPolarHBondContact CA-OG 3.23Å; Y109-S123 WeakPolarHBondContact CB-OG 3.45Å; Y110-S123 PolarHBondContact N-OG 2.92Å; I121-S123 VanDerWaalsContact CG2-O 3.22Å; I121-S123 WeakPolarHBondContact CG2-O 3.48Å; I121-S123 PolarHBondContact O-N 3.28Å; S123-P125 VanDerWaalsContact O-CD 3.3Å; S123-P125 WeakPolarHBondContact O-CD 3.33Å
124F41.8Very low47.2Very low197 Ų19773.6 Ų73.686%0.86441%0.41SS*.  trans-77.1130.8-179.4-77.8-94.2000111.8
125P46.2Very low46.7Very low56 Ų5676 Ų7636%0.36442%0.423SS..  trans-138.5178.8145.929.1-4.3000110Y109 S123 L129Y109-P125 HydrophobicContact CD1-CG 4.26Å; Y109-P125 VanDerWaalsContact CE1-CD 3.44Å; Y109-P125 HydrophobicContact CE1-CG 3.16Å; Y109-P125 WeakPolarHBondContact OH-CG 3.22Å; S123-P125 VanDerWaalsContact O-CD 3.3Å; S123-P125 WeakPolarHBondContact O-CD 3.33Å; P125-L129 HydrophobicContact CB-CD1 4.15Å; P125-L129 HydrophobicContact CG-CD1 3.65Å
126P40.7Very low46.4Very low99 Ų9975.6 Ų75.664%0.64341%0.409SS*.  trans-64.2160.3-149.627.3-31.6000113.7E128 L129P126-E128 PolarHBondContact O-N 2.83Å; P126-L129 PolarHBondContact O-N 3.07Å
127A42.1Very low46.4Very low92 Ų9271 Ų7176%0.7638%0.382SS*.THydrogen-bonded Turntrans-44.7-23.3-168.200000116.7L129A127-L129 VanDerWaalsContact C-N 3.3Å; A127-L129 PolarHBondContact O-N 3.21Å
128E39.2Very low46.2Very low170 Ų17071.3 Ų71.379%0.79438%0.379SS*.Hα-helixtrans-65.7-26.1178-63.6-165.8160.100114.3P126P126-E128 PolarHBondContact O-N 2.83Å
129L42.2Very low45.8Very low26 Ų2671.4 Ų71.414%0.13638%0.38CS..Hα-helixtrans-79.8-20.2-175.8-86.3160000114.6Y109 P125 P126 A127 M131 Y132 I133Y109-L129 HydrophobicContact CE1-CD1 4.23Å; Y109-L129 WeakPolarHBondContact OH-CD1 3.24Å; P125-L129 HydrophobicContact CB-CD1 4.15Å; P125-L129 HydrophobicContact CG-CD1 3.65Å; P126-L129 PolarHBondContact O-N 3.07Å; A127-L129 VanDerWaalsContact C-N 3.3Å; A127-L129 PolarHBondContact O-N 3.21Å; L129-M131 VanDerWaalsContact C-N 3.25Å; L129-M131 PolarHBondContact O-N 3.44Å; L129-Y132 PolarHBondContact O-N 2.8Å; L129-I133 PolarHBondContact O-N 2.85Å
130S46.4Very low45.3Very low37 Ų3776.1 Ų76.126%0.25941%0.411SS..Hα-helixtrans-62.1-39.3175.894.40000110.7Y132 F134 Y159S130-Y132 VanDerWaalsContact C-N 3.31Å; S130-Y132 PolarHBondContact O-N 3.15Å; S130-F134 WeakPolarHBondContact O-CB 3.21Å; S130-F134 PolarHBondContact O-N 2.81Å; S130-Y159 WeakPolarHBondContact OG-CE1 3.36Å; S130-Y159 PolarHBondContact OG-OH 3.44Å
131M38Very low44.8Very low132 Ų13277.9 Ų77.965%0.6543%0.426SS*.Hα-helixtrans-64.9-35177.5-77.1-71.4-67.500112L129 F134 S135L129-M131 VanDerWaalsContact C-N 3.25Å; L129-M131 PolarHBondContact O-N 3.44Å; M131-F134 WeakPolarHBondContact O-CB 3.5Å; M131-F134 PolarHBondContact O-N 3.36Å; M131-S135 PolarHBondContact O-N 3.28Å
132Y43.9Very low44.2Very low118 Ų11879.5 Ų79.546%0.46344%0.439SS..Hα-helixtrans-71.6-44.4-178.2-136-92000112.2L104 L129 S130 F134 S135 K136L104-Y132 HydrophobicContact CD2-CD1 4.2Å; L129-Y132 PolarHBondContact O-N 2.8Å; S130-Y132 VanDerWaalsContact C-N 3.31Å; S130-Y132 PolarHBondContact O-N 3.15Å; Y132-F134 VanDerWaalsContact C-N 3.29Å; Y132-F134 PolarHBondContact O-N 2.91Å; Y132-S135 PolarHBondContact O-N 2.91Å; Y132-S135 PolarHBondContact O-OG 2.72Å; Y132-K136 PolarHBondContact O-N 2.86Å
133I47.9Very low43.3Very low6 Ų685.3 Ų85.33%0.03146%0.463CS..Hα-helixtrans-63.8-38.9173.5-71.3166.5000110.1L104 I121 L129 K136 F137L104-I133 HydrophobicContact CD1-CD1 3.65Å; L104-I133 HydrophobicContact CD1-CG1 3.59Å; I121-I133 HydrophobicContact CD1-CD1 3.25Å; I121-I133 HydrophobicContact CD1-CG1 4.48Å; I121-I133 HydrophobicContact CG1-CD1 3.88Å; L129-I133 PolarHBondContact O-N 2.85Å; I133-K136 PolarHBondContact O-N 2.64Å; I133-F137 HydrophobicContact CG2-CD2 3.98Å; I133-F137 WeakPolarHBondContact O-CB 3.48Å; I133-F137 WeakPolarHBondContact O-CD2 3.5Å; I133-F137 PolarHBondContact O-N 2.85Å
134F48.3Very low42.5Very low56 Ų5686.3 Ų86.325%0.24647%0.47CS..Hα-helixtrans-57.6-50.6171.1-145.3-83.1000110.8S130 M131 Y132 K136 F137 F138 M157 Y159S130-F134 WeakPolarHBondContact O-CB 3.21Å; S130-F134 PolarHBondContact O-N 2.81Å; M131-F134 WeakPolarHBondContact O-CB 3.5Å; M131-F134 PolarHBondContact O-N 3.36Å; Y132-F134 VanDerWaalsContact C-N 3.29Å; Y132-F134 PolarHBondContact O-N 2.91Å; F134-K136 PolarHBondContact O-N 2.87Å; F134-F137 PolarHBondContact O-N 2.91Å; F134-F138 HydrophobicContact CD1-CB 3.63Å; F134-F138 HydrophobicContact CD1-CD1 4.1Å; F134-F138 HydrophobicContact CD1-CD2 4.37Å; F134-F138 AromaticContact CD1-CG 3.81Å; F134-F138 HydrophobicContact CD1-CG 3.81Å; F134-F138 HydrophobicContact CE1-CB 3.81Å; F134-F138 AromaticContact CE1-CD1 3.46Å; F134-F138 HydrophobicContact CE1-CD1 3.46Å; F134-F138 VanDerWaalsContact CE1-CD1 3.46Å; F134-F138 AromaticContact CE1-CD2 3.79Å; F134-F138 HydrophobicContact CE1-CD2 3.79Å; F134-F138 AromaticContact CE1-CE1 3.86Å; F134-F138 HydrophobicContact CE1-CE1 3.86Å; F134-F138 HydrophobicContact CE1-CE2 4.16Å; F134-F138 AromaticContact CE1-CG 3.41Å; F134-F138 HydrophobicContact CE1-CG 3.41Å; F134-F138 VanDerWaalsContact CE1-CG 3.41Å; F134-F138 HydrophobicContact CE1-CZ 4.19Å; F134-F138 HydrophobicContact CG-CB 4.36Å; F134-F138 HydrophobicContact CZ-CD1 4.24Å; F134-F138 AromaticContact CZ-CD2 3.91Å; F134-F138 HydrophobicContact CZ-CD2 3.91Å; F134-F138 HydrophobicContact CZ-CE1 4.31Å; F134-F138 AromaticContact CZ-CE2 4Å; F134-F138 HydrophobicContact CZ-CE2 4Å; F134-F138 HydrophobicContact CZ-CG 4.03Å; F134-F138 HydrophobicContact CZ-CZ 4.19Å; F134-F138 VanDerWaalsContact O-CA 3.27Å; F134-F138 WeakPolarHBondContact O-CA 3.31Å; F134-F138 WeakPolarHBondContact O-CB 3.35Å; F134-F138 PolarHBondContact O-N 2.84Å; F134-M157 HydrophobicContact CD2-CE 3.12Å; F134-M157 HydrophobicContact CD2-SD 3.5Å; F134-M157 WeakPolarHBondContact CD2-SD 3.34Å; F134-M157 HydrophobicContact CE2-CB 3.86Å; F134-M157 HydrophobicContact CE2-CE 3.37Å; F134-M157 HydrophobicContact CE2-CG 4.41Å; F134-M157 HydrophobicContact CE2-SD 3.75Å; F134-M157 HydrophobicContact CG-CE 3.96Å; F134-M157 HydrophobicContact CZ-CE 4.37Å; F134-Y159 HydrophobicContact CD2-CE2 4.28Å; F134-Y159 HydrophobicContact CE2-CE2 4.2Å
135S45.3Very low42.6Very low77 Ų7778.6 Ų78.654%0.53844%0.435SS..Hα-helixtrans-63.5-36.2-177.677.70000114.4M131 Y132M131-S135 PolarHBondContact O-N 3.28Å; Y132-S135 PolarHBondContact O-N 2.91Å; Y132-S135 PolarHBondContact O-OG 2.72Å
136K45.3Very low42.1Very low137 Ų13785.1 Ų85.160%0.59645%0.453SS*.Hα-helixtrans-78-37.5-179.3-88.1-166.6175-176.30112.9Y132 I133 F134Y132-K136 PolarHBondContact O-N 2.86Å; I133-K136 PolarHBondContact O-N 2.64Å; F134-K136 PolarHBondContact O-N 2.87Å
137F49.4Very low42.1Very low42 Ų4283.3 Ų83.318%0.18444%0.435CS..Hα-helixtrans-96.2-8.9-178.5-74.4-82.8000113.1I133 F134 Y145 W146 F147I133-F137 HydrophobicContact CG2-CD2 3.98Å; I133-F137 WeakPolarHBondContact O-CB 3.48Å; I133-F137 WeakPolarHBondContact O-CD2 3.5Å; I133-F137 PolarHBondContact O-N 2.85Å; F134-F137 PolarHBondContact O-N 2.91Å; F137-Y145 HydrophobicContact CB-CD1 4.23Å; F137-Y145 WeakPolarHBondContact O-CA 3.49Å; F137-Y145 WeakPolarHBondContact O-CB 3.48Å; F137-Y145 VanDerWaalsContact O-CD1 3.26Å; F137-Y145 WeakPolarHBondContact O-CD1 3.28Å; F137-W146 WeakPolarHBondContact CD1-O 3.35Å; F137-W146 PolarHBondContact O-N 3.16Å; F137-F147 HydrophobicContact CD1-CD1 4.22Å; F137-F147 AromaticContact CD1-CE1 3.9Å; F137-F147 HydrophobicContact CD1-CE1 3.9Å; F137-F147 HydrophobicContact CD1-CZ 4.2Å; F137-F147 AromaticContact CE1-CD1 3.98Å; F137-F147 HydrophobicContact CE1-CD1 3.98Å; F137-F147 AromaticContact CE1-CE1 3.83Å; F137-F147 HydrophobicContact CE1-CE1 3.83Å
138F42.6Very low41.7Very low43 Ų4384.7 Ų84.719%0.18944%0.436CS..EExtended strand (participates in β ladder)trans-121.1107-176.5-149.9-90.9000109.5F134 P140 Y145F134-F138 HydrophobicContact CD1-CB 3.63Å; F134-F138 HydrophobicContact CD1-CD1 4.1Å; F134-F138 HydrophobicContact CD1-CD2 4.37Å; F134-F138 AromaticContact CD1-CG 3.81Å; F134-F138 HydrophobicContact CD1-CG 3.81Å; F134-F138 HydrophobicContact CE1-CB 3.81Å; F134-F138 AromaticContact CE1-CD1 3.46Å; F134-F138 HydrophobicContact CE1-CD1 3.46Å; F134-F138 VanDerWaalsContact CE1-CD1 3.46Å; F134-F138 AromaticContact CE1-CD2 3.79Å; F134-F138 HydrophobicContact CE1-CD2 3.79Å; F134-F138 AromaticContact CE1-CE1 3.86Å; F134-F138 HydrophobicContact CE1-CE1 3.86Å; F134-F138 HydrophobicContact CE1-CE2 4.16Å; F134-F138 AromaticContact CE1-CG 3.41Å; F134-F138 HydrophobicContact CE1-CG 3.41Å; F134-F138 VanDerWaalsContact CE1-CG 3.41Å; F134-F138 HydrophobicContact CE1-CZ 4.19Å; F134-F138 HydrophobicContact CG-CB 4.36Å; F134-F138 HydrophobicContact CZ-CD1 4.24Å; F134-F138 AromaticContact CZ-CD2 3.91Å; F134-F138 HydrophobicContact CZ-CD2 3.91Å; F134-F138 HydrophobicContact CZ-CE1 4.31Å; F134-F138 AromaticContact CZ-CE2 4Å; F134-F138 HydrophobicContact CZ-CE2 4Å; F134-F138 HydrophobicContact CZ-CG 4.03Å; F134-F138 HydrophobicContact CZ-CZ 4.19Å; F134-F138 VanDerWaalsContact O-CA 3.27Å; F134-F138 WeakPolarHBondContact O-CA 3.31Å; F134-F138 WeakPolarHBondContact O-CB 3.35Å; F134-F138 PolarHBondContact O-N 2.84Å; F138-P140 WeakPolarHBondContact O-CD 3.15Å; F138-Y145 HydrophobicContact CD2-CD1 4.14Å; F138-Y145 AromaticContact CD2-CE1 3.55Å; F138-Y145 HydrophobicContact CD2-CE1 3.55Å; F138-Y145 HydrophobicContact CD2-CE2 4.22Å; F138-Y145 AromaticContact CD2-CZ 3.59Å; F138-Y145 HydrophobicContact CE2-CE1 4.05Å; F138-Y145 HydrophobicContact CE2-CE2 4.01Å; F138-Y145 AromaticContact CE2-CZ 3.57Å; F138-Y145 WeakPolarHBondContact CE2-OH 3.49Å
139S39.6Very low41.5Very low29 Ų2982.1 Ų82.120%0.20344%0.437CS..EExtended strand (participates in β ladder)trans-77.1121.6168.2177.70000109.2S141 T142 K143 S144S139-S141 PolarHBondContact O-N 3.3Å; S139-S141 PolarHBondContact OG-OG 2.9Å; S139-T142 WeakPolarHBondContact CB-OG1 3.23Å; S139-T142 PolarHBondContact O-N 3.29Å; S139-K143 PolarHBondContact O-N 3.23Å; S139-S144 PolarHBondContact N-O 2.65Å
140P38.5Very low41.1Very low122 Ų12284.7 Ų84.779%0.79246%0.462SS*.THydrogen-bonded Turntrans-61.1-27.6178.3-2031000112.6F138F138-P140 WeakPolarHBondContact O-CD 3.15Å
141S42.8Very low40.4Very low104 Ų10490.8 Ų90.873%0.72749%0.49SS*.THydrogen-bonded Turntrans-77.6-25-174.562.20000114S139S139-S141 PolarHBondContact O-N 3.3Å; S139-S141 PolarHBondContact OG-OG 2.9Å
142T40.6Very low40Very low78 Ų7891.4 Ų91.448%0.47950%0.502SS..THydrogen-bonded Turntrans-119-7.7-172.152.30000114S139 S144S139-T142 WeakPolarHBondContact CB-OG1 3.23Å; S139-T142 PolarHBondContact O-N 3.29Å; T142-S144 WeakPolarHBondContact CB-OG 3.23Å; T142-S144 PolarHBondContact O-N 3.46Å; T142-S144 VanDerWaalsContact O-N 3.08Å; T142-S144 PolarHBondContact OG1-OG 2.98Å
143K38.4Very low39.4Very low148 Ų14894 Ų9464%0.64352%0.515SS*.THydrogen-bonded Turntrans44.737.3-167-67.3-172.5176.4-173.60111.3S139S139-K143 PolarHBondContact O-N 3.23Å
144S34Very low38.6Very low44 Ų44103.7 Ų103.731%0.30855%0.552SS.*EExtended strand (participates in β ladder)trans-131.3148.2-176.170.20000110.3S139 T142S139-S144 PolarHBondContact N-O 2.65Å; T142-S144 WeakPolarHBondContact CB-OG 3.23Å; T142-S144 PolarHBondContact O-N 3.46Å; T142-S144 VanDerWaalsContact O-N 3.08Å; T142-S144 PolarHBondContact OG1-OG 2.98Å
145Y42.9Very low37.8Very low34 Ų34101.6 Ų101.613%0.13354%0.544CS..EExtended strand (participates in β ladder)trans-90133.8-177.6-57.4-99.1000111F137 F138 F147 C155 M157F137-Y145 HydrophobicContact CB-CD1 4.23Å; F137-Y145 WeakPolarHBondContact O-CA 3.49Å; F137-Y145 WeakPolarHBondContact O-CB 3.48Å; F137-Y145 VanDerWaalsContact O-CD1 3.26Å; F137-Y145 WeakPolarHBondContact O-CD1 3.28Å; F138-Y145 HydrophobicContact CD2-CD1 4.14Å; F138-Y145 AromaticContact CD2-CE1 3.55Å; F138-Y145 HydrophobicContact CD2-CE1 3.55Å; F138-Y145 HydrophobicContact CD2-CE2 4.22Å; F138-Y145 AromaticContact CD2-CZ 3.59Å; F138-Y145 HydrophobicContact CE2-CE1 4.05Å; F138-Y145 HydrophobicContact CE2-CE2 4.01Å; F138-Y145 AromaticContact CE2-CZ 3.57Å; F138-Y145 WeakPolarHBondContact CE2-OH 3.49Å; Y145-F147 VanDerWaalsContact CB-CE2 3.45Å; Y145-F147 HydrophobicContact CD1-CE2 4.29Å; Y145-F147 HydrophobicContact CG-CE2 4Å; Y145-F147 PolarHBondContact O-N 2.94Å; Y145-C155 HydrophobicContact CD2-CB 4.14Å; Y145-C155 HydrophobicContact CE1-CB 4.32Å; Y145-C155 HydrophobicContact CE2-CB 3.43Å; Y145-C155 VanDerWaalsContact CE2-CB 3.43Å; Y145-C155 VanDerWaalsContact CE2-O 3.27Å; Y145-C155 WeakPolarHBondContact CE2-O 3.03Å; Y145-C155 VanDerWaalsContact OH-C 3.31Å; Y145-C155 PolarHBondContact OH-O 2.82Å; Y145-M157 HydrophobicContact CE1-CE 4.21Å
146W36.8Very low36.9Very low194 Ų194105.6 Ų105.674%0.73555%0.554SS**  trans-89.8101168.8-86.287.1000108.8F137F137-W146 WeakPolarHBondContact CD1-O 3.35Å; F137-W146 PolarHBondContact O-N 3.16Å
147F40.2Very low36.3Very low61 Ų61101.1 Ų101.127%0.26854%0.536SS..  trans-106148169.5-77.6-76.5000109.9W100 F137 Y145 S149W100-F147 AromaticContact CH2-CE1 3.8Å; W100-F147 HydrophobicContact CH2-CE1 3.8Å; W100-F147 HydrophobicContact CH2-CZ 4.19Å; W100-F147 HydrophobicContact CZ2-CD1 4.49Å; W100-F147 AromaticContact CZ2-CE1 3.48Å; W100-F147 HydrophobicContact CZ2-CE1 3.48Å; W100-F147 VanDerWaalsContact CZ2-CE1 3.48Å; W100-F147 HydrophobicContact CZ2-CZ 4.09Å; F137-F147 HydrophobicContact CD1-CD1 4.22Å; F137-F147 AromaticContact CD1-CE1 3.9Å; F137-F147 HydrophobicContact CD1-CE1 3.9Å; F137-F147 HydrophobicContact CD1-CZ 4.2Å; F137-F147 AromaticContact CE1-CD1 3.98Å; F137-F147 HydrophobicContact CE1-CD1 3.98Å; F137-F147 AromaticContact CE1-CE1 3.83Å; F137-F147 HydrophobicContact CE1-CE1 3.83Å; Y145-F147 VanDerWaalsContact CB-CE2 3.45Å; Y145-F147 HydrophobicContact CD1-CE2 4.29Å; Y145-F147 HydrophobicContact CG-CE2 4Å; Y145-F147 PolarHBondContact O-N 2.94Å; F147-S149 PolarHBondContact O-N 2.83Å
148P34.4Very low35.2Very low120 Ų120105 Ų10578%0.77956%0.558SS**SBendtrans-62.1101.9167.9-13.928000109.1A150P148-A150 PolarHBondContact O-N 2.96Å
149S34.9Very low34.6Very low116 Ų116109 Ų10981%0.81157%0.573SS**SBendtrans22.882.6167.766.80000117.6F147F147-S149 PolarHBondContact O-N 2.83Å
150A32.4Very low34Very low80 Ų80116.8 Ų116.866%0.66160%0.603SS**SBendtrans166.5134.1133.500000108.7P148P148-A150 PolarHBondContact O-N 2.96Å
151L32.5Very low33.7Very low165 Ų165120 Ų12086%0.86463%0.628SS**  trans86.982173.2-54.9161.1000116K153L151-K153 PolarHBondContact O-N 3.13Å
152T30.4Very low33.2Very low145 Ų145120.8 Ų120.889%0.8962%0.623SS**  trans-74.896.3161.5-38.70000109.7
153K29.3Very low32.8Very low172 Ų172123 Ų12375%0.74863%0.631SS**  trans-128132153.8-84.6-165.1176.2-173.30109.6L151 C155L151-K153 PolarHBondContact O-N 3.13Å; K153-C155 PolarHBondContact O-N 2.8Å
154R31.1Very low32.5Very low211 Ų211121.6 Ų121.680%0.79663%0.63SS**  trans-54.5117.7-179-126.7177.9-167.7173.73.9109.3C117C117-R154 WeakPolarHBondContact CB-O 3.39Å
155C32.5Very low32.4Very low12 Ų12126.2 Ų126.28%0.08165%0.649CS.*  trans-97.7141.9171.8-68.50000109.9L113 C117 Y145 K153L113-C155 WeakPolarHBondContact CD2-SG 3.49Å; C117-C155 HydrophobicContact CB-CB 3.87Å; C117-C155 WeakPolarHBondContact CB-SG 3.29Å; C117-C155 CarbonylContact O-C 3.55Å; C117-C155 WeakPolarHBondContact O-CA 3.39Å; C117-C155 WeakPolarHBondContact O-CB 3.17Å; C117-C155 PolarHBondContact O-SG 3.44Å; Y145-C155 HydrophobicContact CD2-CB 4.14Å; Y145-C155 HydrophobicContact CE1-CB 4.32Å; Y145-C155 HydrophobicContact CE2-CB 3.43Å; Y145-C155 VanDerWaalsContact CE2-CB 3.43Å; Y145-C155 VanDerWaalsContact CE2-O 3.27Å; Y145-C155 WeakPolarHBondContact CE2-O 3.03Å; Y145-C155 VanDerWaalsContact OH-C 3.31Å; Y145-C155 PolarHBondContact OH-O 2.82Å; K153-C155 PolarHBondContact O-N 2.8Å
156E27.3Very low31.8Very low160 Ų160131.9 Ų131.975%0.74868%0.681SS**  trans-116119.6167.6-86.7-17916600106.4C117 L158C117-E156 PolarHBondContact O-N 3.12Å; C117-E156 VanDerWaalsContact O-N 3.14Å; E156-L158 PolarHBondContact O-N 3.41Å
157M31.7Very low31.4Very low43 Ų43127.8 Ų127.821%0.21268%0.678CS.*  trans-80.6113.9178.6-120-173.5-80.900108.8V119 F134 Y145V119-M157 HydrophobicContact CB-CG 4.28Å; F134-M157 HydrophobicContact CD2-CE 3.12Å; F134-M157 HydrophobicContact CD2-SD 3.5Å; F134-M157 WeakPolarHBondContact CD2-SD 3.34Å; F134-M157 HydrophobicContact CE2-CB 3.86Å; F134-M157 HydrophobicContact CE2-CE 3.37Å; F134-M157 HydrophobicContact CE2-CG 4.41Å; F134-M157 HydrophobicContact CE2-SD 3.75Å; F134-M157 HydrophobicContact CG-CE 3.96Å; F134-M157 HydrophobicContact CZ-CE 4.37Å; Y145-M157 HydrophobicContact CE1-CE 4.21Å
158L27.2Very low30.8Very low123 Ų123132.6 Ų132.664%0.64471%0.707SS**  trans-90112.8170.4-69.2171.7000108.7E156E156-L158 PolarHBondContact O-N 3.41Å
159Y29.2Very low30.5Very low129 Ų129133.5 Ų133.551%0.50670%0.701SS.*  trans-80.2120.2165.5-77.2-85.7000108.3S130 F134S130-Y159 WeakPolarHBondContact OG-CE1 3.36Å; S130-Y159 PolarHBondContact OG-OH 3.44Å; F134-Y159 HydrophobicContact CD2-CE2 4.28Å; F134-Y159 HydrophobicContact CE2-CE2 4.2Å
160F26.6Very low30.2Very low192 Ų192135 Ų13584%0.84269%0.692SS**  trans-87.1120.2161.4-78.8-86.2000107.5
161S32.1Very low30Very low188 Ų188140 Ų140100%1.31570%0.695SS**  trans-630176.653.40000112.9

Retrieved 161 of 161 residues in 37 ms (Link to these results)

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