A0A077YXG3_TRITR Loading...

ADP-ribosylation factor-like protein 6

AlphaFold DB , UniProt , Accession A0A077YXG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 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
1M77.7Confident88.3Confident156 Ų156107.9 Ų107.977%0.76853%0.526SS*.  0126.70-171.9178.8-62.600106.4T5 I6 K9M1-T5 HydrophobicContact CG-CG2 3.58Å; M1-T5 HydrophobicContact SD-CG2 3.8Å; M1-I6 HydrophobicContact CG-CG1 4.08Å; M1-I6 HydrophobicContact SD-CG1 3.86Å; M1-K9 HydrophobicContact CE-CD 4.49Å; M1-K9 HydrophobicContact SD-CD 4.2Å
2D92.1Very high87.9Confident92 Ų92105.9 Ų105.949%0.49252%0.515SS..  trans-76.7166.5-18060.533.3000112L4 T5 I6D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.22Å; D2-L4 PolarHBondContact OD1-N 2.9Å; D2-T5 PolarHBondContact O-N 3.42Å; D2-T5 WeakPolarHBondContact OD1-CB 3.47Å; D2-T5 PolarHBondContact OD1-N 2.63Å; D2-T5 PolarHBondContact OD1-OG1 2.75Å; D2-I6 WeakPolarHBondContact O-CG1 3.36Å; D2-I6 PolarHBondContact O-N 3.41Å
3L93.2Very high87.7Confident121 Ų121108.6 Ų108.663%0.63452%0.522SS*.Hα-helixtrans-60-39.9-179.6178.961000112T5 I6 L7L3-T5 VanDerWaalsContact C-N 3.33Å; L3-T5 PolarHBondContact O-N 3.41Å; L3-I6 PolarHBondContact O-N 3.45Å; L3-L7 HydrophobicContact CD1-CD1 4.4Å; L3-L7 HydrophobicContact CD1-CG 4.17Å; L3-L7 HydrophobicContact CG-CD1 4.11Å; L3-L7 HydrophobicContact CG-CG 4.31Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.32Å
4L91.9Very high87.5Confident138 Ų138108.4 Ų108.472%0.72352%0.52SS*.Hα-helixtrans-60.4-41.8179.2-82.8152.6000112.1D2 I6 L7 R8D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.22Å; D2-L4 PolarHBondContact OD1-N 2.9Å; L4-I6 VanDerWaalsContact C-N 3.34Å; L4-L7 PolarHBondContact O-N 3.17Å; L4-R8 WeakPolarHBondContact O-CB 3.17Å; L4-R8 PolarHBondContact O-N 3.06Å
5T90.5Very high87.8Confident39 Ų39104.5 Ų104.524%0.23950%0.502CS..Hα-helixtrans-66.8-37.8177.1-56.40000111.2M1 D2 L3 K9M1-T5 HydrophobicContact CG-CG2 3.58Å; M1-T5 HydrophobicContact SD-CG2 3.8Å; D2-T5 PolarHBondContact O-N 3.42Å; D2-T5 WeakPolarHBondContact OD1-CB 3.47Å; D2-T5 PolarHBondContact OD1-N 2.63Å; D2-T5 PolarHBondContact OD1-OG1 2.75Å; L3-T5 VanDerWaalsContact C-N 3.33Å; L3-T5 PolarHBondContact O-N 3.41Å; T5-K9 WeakPolarHBondContact O-CG 3.36Å; T5-K9 PolarHBondContact O-N 2.92Å
6I92.2Very high88.3Confident73 Ų73103.9 Ų103.937%0.37450%0.498SS..Hα-helixtrans-64.6-50.3175.4-65.3168.5000110M1 D2 L3 L4 R8 K9 L10M1-I6 HydrophobicContact CG-CG1 4.08Å; M1-I6 HydrophobicContact SD-CG1 3.86Å; D2-I6 WeakPolarHBondContact O-CG1 3.36Å; D2-I6 PolarHBondContact O-N 3.41Å; L3-I6 PolarHBondContact O-N 3.45Å; L4-I6 VanDerWaalsContact C-N 3.34Å; I6-R8 VanDerWaalsContact C-N 3.31Å; I6-R8 PolarHBondContact O-N 3.39Å; I6-K9 PolarHBondContact O-N 3.49Å; I6-L10 HydrophobicContact CG2-CD1 3.99Å; I6-L10 HydrophobicContact CG2-CG 4.37Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.19Å
7L90.2Very high88.8Confident96 Ų9698.1 Ų98.150%0.50347%0.47SS..Hα-helixtrans-60.3-40.9179.2-67.8177.8000112.1L3 L4 L10 K11L3-L7 HydrophobicContact CD1-CD1 4.4Å; L3-L7 HydrophobicContact CD1-CG 4.17Å; L3-L7 HydrophobicContact CG-CD1 4.11Å; L3-L7 HydrophobicContact CG-CG 4.31Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 2.96Å; L7-K11 WeakPolarHBondContact O-CB 3.36Å; L7-K11 PolarHBondContact O-N 2.91Å
8R86.3Confident89.2Confident137 Ų13794.6 Ų94.652%0.51745%0.451SS..Hα-helixtrans-62.1-46175.6-176.8176.165.598.7-6.4111.8L4 I6 L10 K11 E12L4-R8 WeakPolarHBondContact O-CB 3.17Å; L4-R8 PolarHBondContact O-N 3.06Å; I6-R8 VanDerWaalsContact C-N 3.31Å; I6-R8 PolarHBondContact O-N 3.39Å; R8-L10 VanDerWaalsContact C-N 3.34Å; R8-L10 PolarHBondContact O-N 3.38Å; R8-K11 PolarHBondContact O-N 3.17Å; R8-E12 HydrophobicContact CG-CG 4.46Å; R8-E12 WeakPolarHBondContact CG-OE1 3.48Å; R8-E12 IonicContact CZ-OE1 3.88Å; R8-E12 IonicContact NE-OE1 2.85Å; R8-E12 IonicContact NH1-OE1 3.14Å; R8-E12 PolarHBondContact NH1-OE1 2.89Å; R8-E12 IonicContact NH1-OE2 2.59Å; R8-E12 WeakPolarHBondContact O-CB 3.45Å; R8-E12 WeakPolarHBondContact O-CG 3.38Å; R8-E12 PolarHBondContact O-N 3.47Å
9K86.8Confident89.7Confident107 Ų10789.6 Ų89.647%0.46543%0.428SS..Hα-helixtrans-65.1-36.7177.9-76-175.1174.8-162.90112.8M1 T5 I6 E12 K13M1-K9 HydrophobicContact CE-CD 4.49Å; M1-K9 HydrophobicContact SD-CD 4.2Å; T5-K9 WeakPolarHBondContact O-CG 3.36Å; T5-K9 PolarHBondContact O-N 2.92Å; I6-K9 PolarHBondContact O-N 3.49Å; K9-E12 PolarHBondContact O-N 2.84Å; K9-K13 WeakPolarHBondContact O-CB 3.35Å; K9-K13 PolarHBondContact O-N 3.49Å
10L85.8Confident90.1Very high87 Ų8785.1 Ų85.146%0.45541%0.406SS..Hα-helixtrans-63-47.9174-72173.2000110.5I6 L7 R8 E12 K13 E14I6-L10 HydrophobicContact CG2-CD1 3.99Å; I6-L10 HydrophobicContact CG2-CG 4.37Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.19Å; L7-L10 PolarHBondContact O-N 2.96Å; R8-L10 VanDerWaalsContact C-N 3.34Å; R8-L10 PolarHBondContact O-N 3.38Å; L10-E12 PolarHBondContact O-N 3.27Å; L10-K13 WeakPolarHBondContact O-CB 3.37Å; L10-K13 PolarHBondContact O-N 3.24Å; L10-E14 WeakPolarHBondContact O-CG 3.46Å; L10-E14 PolarHBondContact O-N 2.71Å
11K84.3Confident90.5Very high141 Ų14181.1 Ų81.161%0.61339%0.388SS*.Hα-helixtrans-62-40.9176.1-171.4179-178.3-179.90112.6L7 R8 K13 E14 M15L7-K11 WeakPolarHBondContact O-CB 3.36Å; L7-K11 PolarHBondContact O-N 2.91Å; R8-K11 PolarHBondContact O-N 3.17Å; K11-K13 VanDerWaalsContact C-N 3.34Å; K11-E14 PolarHBondContact O-N 2.94Å; K11-M15 WeakPolarHBondContact O-CG 3.32Å; K11-M15 PolarHBondContact O-N 3.44Å
12E84.3Confident91.4Very high84 Ų8473.7 Ų73.739%0.39335%0.351SS..Hα-helixtrans-60.2-45.5174.4-75.7166.8-177.700110.6R8 K9 L10 E14 M15 E16R8-E12 HydrophobicContact CG-CG 4.46Å; R8-E12 WeakPolarHBondContact CG-OE1 3.48Å; R8-E12 IonicContact CZ-OE1 3.88Å; R8-E12 IonicContact NE-OE1 2.85Å; R8-E12 IonicContact NH1-OE1 3.14Å; R8-E12 PolarHBondContact NH1-OE1 2.89Å; R8-E12 IonicContact NH1-OE2 2.59Å; R8-E12 WeakPolarHBondContact O-CB 3.45Å; R8-E12 WeakPolarHBondContact O-CG 3.38Å; R8-E12 PolarHBondContact O-N 3.47Å; K9-E12 PolarHBondContact O-N 2.84Å; L10-E12 PolarHBondContact O-N 3.27Å; E12-E14 PolarHBondContact O-N 3.35Å; E12-M15 PolarHBondContact O-N 3.31Å; E12-M15 VanDerWaalsContact O-N 3.1Å; E12-E16 PolarHBondContact O-N 2.91Å
13K84.4Confident91.6Very high141 Ų14169.3 Ų69.361%0.61333%0.328SS*.Hα-helixtrans-62.5-38.1176.4-171.5-178.7-179.7-176.40112.8K9 L10 K11 M15 E16K9-K13 WeakPolarHBondContact O-CB 3.35Å; K9-K13 PolarHBondContact O-N 3.49Å; L10-K13 WeakPolarHBondContact O-CB 3.37Å; L10-K13 PolarHBondContact O-N 3.24Å; K11-K13 VanDerWaalsContact C-N 3.34Å; K13-M15 PolarHBondContact O-N 3.13Å; K13-E16 PolarHBondContact O-N 3.19Å; K13-E16 VanDerWaalsContact O-N 3.13Å
14E85.7Confident91.6Very high105 Ų10564 Ų6449%0.49130%0.3SS..Hα-helixtrans-63.9-23.9175.4-73.6168.3179.700112.9L10 K11 E12L10-E14 WeakPolarHBondContact O-CG 3.46Å; L10-E14 PolarHBondContact O-N 2.71Å; K11-E14 PolarHBondContact O-N 2.94Å; E12-E14 PolarHBondContact O-N 3.35Å
15M92.3Very high91.7Very high50 Ų5061 Ų6125%0.24628%0.284CS..THydrogen-bonded Turntrans-92.4-0.8176.6-59.7-56.8-61.800113K11 E12 K13 G59 Y60 T61 F175K11-M15 WeakPolarHBondContact O-CG 3.32Å; K11-M15 PolarHBondContact O-N 3.44Å; E12-M15 PolarHBondContact O-N 3.31Å; E12-M15 VanDerWaalsContact O-N 3.1Å; K13-M15 PolarHBondContact O-N 3.13Å; M15-G59 WeakPolarHBondContact CE-O 3.37Å; M15-Y60 HydrophobicContact CB-CD1 4.44Å; M15-Y60 HydrophobicContact CE-CD1 3.52Å; M15-Y60 HydrophobicContact CE-CD2 4.47Å; M15-Y60 HydrophobicContact CE-CE1 3.4Å; M15-Y60 HydrophobicContact CE-CE2 4.38Å; M15-Y60 HydrophobicContact CE-CG 4.07Å; M15-Y60 CarbonylContact O-C 3.6Å; M15-Y60 VanDerWaalsContact O-CA 3.25Å; M15-Y60 WeakPolarHBondContact O-CA 3.07Å; M15-Y60 WeakPolarHBondContact O-CB 3.3Å; M15-Y60 HydrophobicContact SD-CD1 4.26Å; M15-Y60 HydrophobicContact SD-CE1 3.93Å; M15-T61 PolarHBondContact O-N 3.49Å; M15-F175 HydrophobicContact SD-CZ 4.22Å
16E95.1Very high91.8Very high95 Ų9564.6 Ų64.644%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-90.2131.9175.1-71.8-179-172.700110.8E12 K13 T61E12-E16 PolarHBondContact O-N 2.91Å; K13-E16 PolarHBondContact O-N 3.19Å; K13-E16 VanDerWaalsContact O-N 3.13Å; E16-T61 CarbonylContact C-O 3.49Å; E16-T61 WeakPolarHBondContact CA-O 3.41Å; E16-T61 HydrophobicContact CG-CG2 4.45Å
17M96.2Very high92Very high5 Ų561.1 Ų61.13%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-117.7124.9175.2-65.1177.4172.900109.6Y60 T61 L62 N63 V167 I170 A171M17-Y60 HydrophobicContact CE-CD1 3.36Å; M17-Y60 HydrophobicContact CE-CD2 3.91Å; M17-Y60 HydrophobicContact CE-CE1 3.52Å; M17-Y60 HydrophobicContact CE-CE2 4.04Å; M17-Y60 HydrophobicContact CE-CG 3.57Å; M17-Y60 HydrophobicContact CG-CD1 4.37Å; M17-Y60 HydrophobicContact SD-CD1 4.22Å; M17-Y60 HydrophobicContact SD-CG 4.06Å; M17-T61 PolarHBondContact N-O 2.89Å; M17-L62 HydrophobicContact CB-CD2 3.84Å; M17-L62 HydrophobicContact CG-CD2 4.19Å; M17-L62 HydrophobicContact SD-CD2 3.67Å; M17-N63 PolarHBondContact O-N 3.29Å; M17-V167 HydrophobicContact CE-CG1 4.11Å; M17-V167 WeakPolarHBondContact CE-O 3.4Å; M17-V167 HydrophobicContact SD-CB 4.42Å; M17-V167 HydrophobicContact SD-CG1 4.16Å; M17-V167 HydrophobicContact SD-CG2 4.2Å; M17-I170 HydrophobicContact CE-CB 3.98Å; M17-I170 HydrophobicContact CE-CG2 3.83Å; M17-I170 HydrophobicContact CG-CG2 4Å; M17-I170 HydrophobicContact SD-CB 4.17Å; M17-I170 HydrophobicContact SD-CD1 4.01Å; M17-I170 HydrophobicContact SD-CG2 4.05Å; M17-A171 HydrophobicContact CE-CB 4.03Å
18R96.9Very high92.3Very high35 Ų3557.3 Ų57.313%0.13227%0.268CS..EExtended strand (participates in β ladder)trans-93.5113.6174.5-172.8170.1-174.6-78.5-10.1110.1Y80 E82 E83 T84 N85 C86R18-Y80 VanDerWaalsContact CZ-O 3.3Å; R18-Y80 PolarHBondContact NH1-O 2.84Å; R18-Y80 PolarHBondContact NH2-O 2.8Å; R18-E82 VanDerWaalsContact CZ-O 3.28Å; R18-E82 PolarHBondContact NH1-O 2.91Å; R18-E83 WeakPolarHBondContact CB-O 3.4Å; R18-E83 WeakPolarHBondContact CD-O 3.47Å; R18-T84 PolarHBondContact NH1-OG1 3.36Å; R18-N85 PolarHBondContact N-OD1 2.82Å; R18-N85 PolarHBondContact O-N 3.4Å; R18-C86 PolarHBondContact O-N 2.91Å
19I98.2Very high92.8Very high0 Ų051.3 Ų51.30%025%0.246CC..EExtended strand (participates in β ladder)trans-113.7129-177.2-58.5175.3000108.9L62 N63 I64 W65 C86 I88 L166I19-L62 HydrophobicContact CD1-CB 4.14Å; I19-L62 HydrophobicContact CD1-CD1 4.14Å; I19-L62 HydrophobicContact CD1-CD2 4.21Å; I19-L62 HydrophobicContact CD1-CG 4.39Å; I19-N63 PolarHBondContact N-O 2.96Å; I19-I64 HydrophobicContact CB-CG1 4.25Å; I19-I64 HydrophobicContact CB-CG2 4.3Å; I19-I64 HydrophobicContact CD1-CG1 4.3Å; I19-I64 HydrophobicContact CG2-CG2 4.18Å; I19-I64 CarbonylContact O-C 3.5Å; I19-I64 WeakPolarHBondContact O-CA 3.48Å; I19-W65 PolarHBondContact O-N 3.05Å; I19-C86 CarbonylContact C-O 3.57Å; I19-C86 WeakPolarHBondContact CA-O 3.24Å; I19-C86 HydrophobicContact CG1-CB 4.42Å; I19-I88 HydrophobicContact CG2-CD1 3.59Å; I19-I88 HydrophobicContact CG2-CG1 3.69Å; I19-L166 HydrophobicContact CD1-CD1 3.6Å; I19-L166 HydrophobicContact CG1-CD1 4.42Å
20L98.3Very high93.3Very high0 Ų047.5 Ų47.50%023%0.231CC..EExtended strand (participates in β ladder)trans-107.4119.3177.7178.862.7000110.4V22 W65 V67 F81 T84 C86 V87 I88L20-V22 HydrophobicContact CD1-CG1 4.25Å; L20-V22 HydrophobicContact CD2-CG1 4.23Å; L20-V22 HydrophobicContact CG-CG1 3.98Å; L20-W65 HydrophobicContact CD1-CB 3.96Å; L20-V67 HydrophobicContact CD1-CG2 3.53Å; L20-F81 HydrophobicContact CD2-CD1 3.49Å; L20-F81 VanDerWaalsContact CD2-CD1 3.49Å; L20-F81 HydrophobicContact CD2-CE1 3.8Å; L20-T84 HydrophobicContact CB-CG2 3.76Å; L20-C86 PolarHBondContact N-O 2.79Å; L20-V87 CarbonylContact O-C 3.51Å; L20-V87 WeakPolarHBondContact O-CA 3.29Å; L20-I88 PolarHBondContact O-N 2.96Å
21V98.3Very high93.8Very high2 Ų244.3 Ų44.31%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-100115.8177.1-170.80000109.7K29 L33 I64 W65 V67 I88 V90V21-K29 HydrophobicContact CG1-CB 3.8Å; V21-K29 HydrophobicContact CG1-CD 4.15Å; V21-K29 HydrophobicContact CG1-CG 3.88Å; V21-L33 HydrophobicContact CB-CD1 4.46Å; V21-L33 HydrophobicContact CG2-CD1 4.15Å; V21-L33 HydrophobicContact CG2-CD2 4.15Å; V21-L33 HydrophobicContact CG2-CG 4.47Å; V21-I64 HydrophobicContact CG2-CG2 3.38Å; V21-W65 PolarHBondContact N-O 3.34Å; V21-V67 PolarHBondContact O-N 2.93Å; V21-I88 HydrophobicContact CG1-CB 4.43Å; V21-I88 HydrophobicContact CG1-CG2 4.42Å; V21-I88 HydrophobicContact CG2-CB 4.18Å; V21-I88 HydrophobicContact CG2-CD1 4.22Å; V21-V90 HydrophobicContact CG1-CG2 3.81Å
22V96.7Very high94.4Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-134.7163.4-177.8-780000109.4L20 V67 W77 V87 I88 W89 V90 L103L20-V22 HydrophobicContact CD1-CG1 4.25Å; L20-V22 HydrophobicContact CD2-CG1 4.23Å; L20-V22 HydrophobicContact CG-CG1 3.98Å; V22-V67 HydrophobicContact CG1-CB 4.4Å; V22-W77 HydrophobicContact CG1-CD2 4.37Å; V22-W77 HydrophobicContact CG1-CG 4.45Å; V22-V87 HydrophobicContact CG2-CG1 3.48Å; V22-V87 VanDerWaalsContact CG2-CG1 3.48Å; V22-I88 PolarHBondContact N-O 3.1Å; V22-W89 HydrophobicContact CB-CE3 4.25Å; V22-W89 HydrophobicContact CB-CZ3 4.37Å; V22-W89 HydrophobicContact CG2-CE3 4.01Å; V22-W89 CarbonylContact O-C 3.45Å; V22-W89 WeakPolarHBondContact O-CA 3.41Å; V22-V90 PolarHBondContact O-N 3.13Å; V22-L103 HydrophobicContact CB-CD1 4.39Å; V22-L103 HydrophobicContact CG2-CD1 3.52Å; V22-L103 HydrophobicContact CG2-CD2 4.43Å
23G95.9Very high94.9Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans157.8175.9-168.900000109.5S69 W77 W89 V90G23-S69 WeakPolarHBondContact O-CB 3.14Å; G23-S69 PolarHBondContact O-OG 2.97Å; G23-W77 WeakPolarHBondContact O-CZ2 3.35Å; G23-W89 VanDerWaalsContact N-CZ3 3.33Å; G23-V90 WeakPolarHBondContact CA-O 3.45Å
24L94.4Very high95.4Very high9 Ų929.4 Ų29.45%0.04715%0.152CC..  trans-69.2167.2177-60.6168.3000111.5A27 K29 E97 L99L24-A27 HydrophobicContact CB-CB 4.43Å; L24-A27 WeakPolarHBondContact O-CB 3.5Å; L24-A27 PolarHBondContact O-N 3.28Å; L24-K29 PolarHBondContact O-NZ 2.78Å; L24-E97 HydrophobicContact CD1-CB 3.62Å; L24-E97 HydrophobicContact CD1-CG 4.43Å; L24-E97 WeakPolarHBondContact CD2-OE2 3.49Å; L24-L99 HydrophobicContact CD2-CB 4.48Å; L24-L99 HydrophobicContact CD2-CD1 3.4Å; L24-L99 HydrophobicContact CD2-CG 4.05Å
25D92.9Very high95.7Very high75 Ų7528.2 Ų28.240%0.40114%0.143SC..THydrogen-bonded Turntrans-60.9147.2164.9-167.530000109.2A27D25-A27 PolarHBondContact O-N 2.69Å
26N93.6Very high95.7Very high114 Ų11427.6 Ų27.661%0.6114%0.14SC*.THydrogen-bonded Turntrans62.20.2-175.5-166.361.3000117G28 K120N26-G28 PolarHBondContact O-N 2.8Å; N26-K120 PolarHBondContact ND2-NZ 3.17Å; N26-K120 WeakPolarHBondContact O-CE 3.13Å; N26-K120 PolarHBondContact O-NZ 3.09Å
27A96.4Very high95.5Very high0 Ų025.3 Ų25.30%013%0.133CC..SBendtrans-63.7-16.7179.400000114.4L24 D25 V90 D92 N119L24-A27 HydrophobicContact CB-CB 4.43Å; L24-A27 WeakPolarHBondContact O-CB 3.5Å; L24-A27 PolarHBondContact O-N 3.28Å; D25-A27 PolarHBondContact O-N 2.69Å; A27-V90 HydrophobicContact CB-CB 4.37Å; A27-V90 HydrophobicContact CB-CG1 4.02Å; A27-V90 WeakPolarHBondContact O-CG1 3.11Å; A27-D92 HydrophobicContact CB-CB 4.4Å; A27-N119 PolarHBondContact O-ND2 3.17Å
28G96.5Very high95.2Very high16 Ų1628.5 Ų28.517%0.16517%0.167CC..  trans99.517175.100000115.7N26 T30 A31 I32N26-G28 PolarHBondContact O-N 2.8Å; G28-T30 PolarHBondContact O-N 3.13Å; G28-A31 PolarHBondContact O-N 3.3Å; G28-A31 VanDerWaalsContact O-N 3.15Å; G28-I32 WeakPolarHBondContact O-CG1 3.48Å; G28-I32 PolarHBondContact O-N 2.94Å
29K97Very high95Very high11 Ų1130.4 Ų30.45%0.04818%0.177CC..Hα-helixtrans-48.1-57.6177.6-59.4-178.3-57.4-620113.4V21 L24 A31 I32 L33 D66 V67 S69 V90V21-K29 HydrophobicContact CG1-CB 3.8Å; V21-K29 HydrophobicContact CG1-CD 4.15Å; V21-K29 HydrophobicContact CG1-CG 3.88Å; L24-K29 PolarHBondContact O-NZ 2.78Å; K29-A31 VanDerWaalsContact C-N 3.31Å; K29-A31 PolarHBondContact O-N 3.1Å; K29-I32 PolarHBondContact O-N 3.25Å; K29-L33 WeakPolarHBondContact O-CG 3.43Å; K29-L33 PolarHBondContact O-N 2.75Å; K29-D66 WeakPolarHBondContact CB-OD1 3.34Å; K29-V67 WeakPolarHBondContact CE-O 3.37Å; K29-S69 WeakPolarHBondContact CE-OG 3.47Å; K29-S69 PolarHBondContact NZ-OG 3.28Å; K29-V90 HydrophobicContact CG-CB 3.86Å; K29-V90 HydrophobicContact CG-CG1 4.43Å; K29-V90 HydrophobicContact CG-CG2 3.81Å
30T96.5Very high94.8Very high27 Ų2735.6 Ų35.617%0.16621%0.205CC..Hα-helixtrans-64.4-35.3-179.8-470000112.2G28 L33 K34 T44 T47 D66G28-T30 PolarHBondContact O-N 3.13Å; T30-L33 PolarHBondContact O-N 3.37Å; T30-K34 HydrophobicContact CG2-CG 4.5Å; T30-K34 WeakPolarHBondContact O-CB 3.24Å; T30-K34 WeakPolarHBondContact O-CG 3.27Å; T30-K34 PolarHBondContact O-N 3.19Å; T30-T44 HydrophobicContact CG2-CG2 4.33Å; T30-T47 PolarHBondContact OG1-OG1 2.95Å; T30-D66 WeakPolarHBondContact CB-OD2 3.49Å; T30-D66 PolarHBondContact OG1-OD2 2.94Å
31A95.9Very high94.4Very high20 Ų2036.4 Ų36.417%0.16521%0.21CC..Hα-helixtrans-66.9-43.617700000111.6G28 K29 L33 K34 R35 V41 T44G28-A31 PolarHBondContact O-N 3.3Å; G28-A31 VanDerWaalsContact O-N 3.15Å; K29-A31 VanDerWaalsContact C-N 3.31Å; K29-A31 PolarHBondContact O-N 3.1Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 3.45Å; A31-K34 PolarHBondContact O-N 3.34Å; A31-R35 VanDerWaalsContact O-CB 3.3Å; A31-R35 WeakPolarHBondContact O-CB 3.48Å; A31-R35 PolarHBondContact O-N 3.13Å; A31-V41 WeakPolarHBondContact O-CG1 3.38Å; A31-T44 HydrophobicContact CB-CG2 4.19Å
32I96.2Very high94Very high4 Ų440.3 Ų40.32%0.02124%0.237CC..Hα-helixtrans-56.6-48.7172.6-71.3170.4000110.1G28 K29 R35 L36 V90 L117 N119 L159G28-I32 WeakPolarHBondContact O-CG1 3.48Å; G28-I32 PolarHBondContact O-N 2.94Å; K29-I32 PolarHBondContact O-N 3.25Å; I32-R35 WeakPolarHBondContact O-CB 3.47Å; I32-R35 PolarHBondContact O-N 2.88Å; I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 HydrophobicContact CG2-CG 4.45Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.8Å; I32-V90 HydrophobicContact CD1-CG1 3.68Å; I32-V90 HydrophobicContact CD1-CG2 4.05Å; I32-L117 HydrophobicContact CD1-CB 4.5Å; I32-L117 HydrophobicContact CD1-CD1 4.06Å; I32-L117 HydrophobicContact CG2-CD1 4.27Å; I32-N119 HydrophobicContact CD1-CB 4.07Å; I32-L159 HydrophobicContact CB-CD1 4.48Å; I32-L159 HydrophobicContact CD1-CD2 4.38Å; I32-L159 HydrophobicContact CG1-CD1 4.4Å; I32-L159 HydrophobicContact CG1-CD2 4.15Å; I32-L159 HydrophobicContact CG2-CD1 4.06Å; I32-L159 HydrophobicContact CG2-CD2 3.74Å
33L95.5Very high93.5Very high4 Ų446.1 Ų46.12%0.02127%0.267CS..Hα-helixtrans-66.2-45.1-177.7-70.1177.6000113.1V21 K29 T30 A31 R35 L36 T37 K53 I64 D66V21-L33 HydrophobicContact CB-CD1 4.46Å; V21-L33 HydrophobicContact CG2-CD1 4.15Å; V21-L33 HydrophobicContact CG2-CD2 4.15Å; V21-L33 HydrophobicContact CG2-CG 4.47Å; K29-L33 WeakPolarHBondContact O-CG 3.43Å; K29-L33 PolarHBondContact O-N 2.75Å; T30-L33 PolarHBondContact O-N 3.37Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 3.45Å; L33-R35 PolarHBondContact O-N 2.7Å; L33-L36 HydrophobicContact CD2-CD1 4.43Å; L33-L36 PolarHBondContact O-N 2.82Å; L33-T37 PolarHBondContact O-N 3.09Å; L33-T37 VanDerWaalsContact O-N 3.08Å; L33-T37 PolarHBondContact O-OG1 3.35Å; L33-K53 HydrophobicContact CB-CD 4.24Å; L33-I64 HydrophobicContact CD1-CG2 4.16Å; L33-I64 HydrophobicContact CD2-CB 4.28Å; L33-I64 HydrophobicContact CD2-CD1 4.08Å; L33-I64 HydrophobicContact CD2-CG2 3.49Å; L33-I64 VanDerWaalsContact CD2-CG2 3.49Å; L33-I64 HydrophobicContact CG-CG2 4.49Å; L33-D66 HydrophobicContact CD1-CB 3.44Å; L33-D66 VanDerWaalsContact CD1-CB 3.44Å
34K94.7Very high93.2Very high45 Ų4549.3 Ų49.320%0.19629%0.287CS..Hα-helixtrans-57.5-41.3172.5-78.7-176.3166.3-159.40111.3T30 A31 T37 G38 E39 D40 V41 I43 T44T30-K34 HydrophobicContact CG2-CG 4.5Å; T30-K34 WeakPolarHBondContact O-CB 3.24Å; T30-K34 WeakPolarHBondContact O-CG 3.27Å; T30-K34 PolarHBondContact O-N 3.19Å; A31-K34 PolarHBondContact O-N 3.34Å; K34-T37 CarbonylContact O-C 3.56Å; K34-T37 PolarHBondContact O-N 3.21Å; K34-T37 PolarHBondContact O-OG1 3.36Å; K34-G38 PolarHBondContact O-N 3.36Å; K34-G38 VanDerWaalsContact O-N 3.08Å; K34-E39 HydrophobicContact CB-CB 3.88Å; K34-E39 HydrophobicContact CG-CB 4.04Å; K34-E39 PolarHBondContact O-N 3.24Å; K34-D40 WeakPolarHBondContact CD-O 3.1Å; K34-D40 PolarHBondContact NZ-O 2.89Å; K34-D40 VanDerWaalsContact NZ-O 3.12Å; K34-V41 HydrophobicContact CB-CG1 3.83Å; K34-I43 PolarHBondContact NZ-O 2.79Å; K34-T44 HydrophobicContact CD-CG2 4.02Å
35R93.1Very high93Very high81 Ų8154 Ų5431%0.30632%0.316SS..Hα-helixtrans-64.7-44.1178.8-174.857.579.21804111.9A31 I32 L33 T37 G38 V41 G153 L154 L156 L159A31-R35 VanDerWaalsContact O-CB 3.3Å; A31-R35 WeakPolarHBondContact O-CB 3.48Å; A31-R35 PolarHBondContact O-N 3.13Å; I32-R35 WeakPolarHBondContact O-CB 3.47Å; I32-R35 PolarHBondContact O-N 2.88Å; L33-R35 PolarHBondContact O-N 2.7Å; R35-T37 PolarHBondContact O-N 3.05Å; R35-G38 PolarHBondContact O-N 3.15Å; R35-V41 HydrophobicContact CB-CG1 3.93Å; R35-G153 WeakPolarHBondContact CB-O 3.35Å; R35-G153 WeakPolarHBondContact CG-O 3.34Å; R35-G153 PolarHBondContact NE-O 3.26Å; R35-L154 VanDerWaalsContact CZ-O 3.3Å; R35-L154 PolarHBondContact NE-O 3.11Å; R35-L154 PolarHBondContact NH2-O 2.72Å; R35-L156 HydrophobicContact CG-CB 3.82Å; R35-L156 HydrophobicContact CG-CD1 3.62Å; R35-L156 HydrophobicContact CG-CG 4.2Å; R35-L159 HydrophobicContact CB-CD1 4.43Å; R35-L159 HydrophobicContact CG-CD1 4.28Å
36L91.4Very high93Very high36 Ų3654.2 Ų54.219%0.18832%0.322CS..Hα-helixtrans-62-30.4176.4-73.9170.9000112.7I32 L33 L156 L159 I163I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 HydrophobicContact CG2-CG 4.45Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.8Å; L33-L36 HydrophobicContact CD2-CD1 4.43Å; L33-L36 PolarHBondContact O-N 2.82Å; L36-L156 HydrophobicContact CD2-CD1 4.46Å; L36-L159 HydrophobicContact CD2-CB 4.13Å; L36-I163 HydrophobicContact CD1-CD1 3.86Å; L36-I163 HydrophobicContact CD1-CG1 3.85Å; L36-I163 HydrophobicContact CD2-CG1 3.83Å
37T91.2Very high92.9Very high48 Ų4850.1 Ų50.129%0.29430%0.301SS..THydrogen-bonded Turntrans-95.25.6177.855.20000114.3L33 K34 R35 E39 K53L33-T37 PolarHBondContact O-N 3.09Å; L33-T37 VanDerWaalsContact O-N 3.08Å; L33-T37 PolarHBondContact O-OG1 3.35Å; K34-T37 CarbonylContact O-C 3.56Å; K34-T37 PolarHBondContact O-N 3.21Å; K34-T37 PolarHBondContact O-OG1 3.36Å; R35-T37 PolarHBondContact O-N 3.05Å; T37-E39 VanDerWaalsContact C-N 3.25Å; T37-E39 WeakPolarHBondContact CB-OE1 3.45Å; T37-E39 PolarHBondContact O-N 3.32Å; T37-E39 PolarHBondContact OG1-OE1 3.07Å; T37-K53 HydrophobicContact CG2-CD 3.96Å
38G90.5Very high92.6Very high71 Ų7158.5 Ų58.573%0.73234%0.338SS*.THydrogen-bonded Turntrans70.817.3179.400000114.6K34 R35K34-G38 PolarHBondContact O-N 3.36Å; K34-G38 VanDerWaalsContact O-N 3.08Å; R35-G38 PolarHBondContact O-N 3.15Å
39E92.7Very high92.4Very high75 Ų7558.9 Ų58.935%0.3534%0.341SS..  trans-81159.5175.2-73.3164.4-112.200112.1K34 T37 V41 K53K34-E39 HydrophobicContact CB-CB 3.88Å; K34-E39 HydrophobicContact CG-CB 4.04Å; K34-E39 PolarHBondContact O-N 3.24Å; T37-E39 VanDerWaalsContact C-N 3.25Å; T37-E39 WeakPolarHBondContact CB-OE1 3.45Å; T37-E39 PolarHBondContact O-N 3.32Å; T37-E39 PolarHBondContact OG1-OE1 3.07Å; E39-V41 PolarHBondContact O-N 3.04Å; E39-K53 WeakPolarHBondContact OE1-CE 3.43Å; E39-K53 IonicContact OE1-NZ 2.82Å; E39-K53 PolarHBondContact OE1-NZ 2.8Å; E39-K53 IonicContact OE2-NZ 3.18Å; E39-K53 PolarHBondContact OE2-NZ 2.95Å
40D92.2Very high92.4Very high109 Ų10962.9 Ų62.958%0.58336%0.359SS*.  trans-68.9120.4176.2-177.718000112K34 S42K34-D40 WeakPolarHBondContact CD-O 3.1Å; K34-D40 PolarHBondContact NZ-O 2.89Å; K34-D40 VanDerWaalsContact NZ-O 3.12Å; D40-S42 WeakPolarHBondContact OD1-CB 3.24Å; D40-S42 PolarHBondContact OD1-N 3.25Å; D40-S42 PolarHBondContact OD1-OG 3.42Å; D40-S42 PolarHBondContact OD2-OG 3.4Å
41V91.4Very high92.3Very high17 Ų1765.4 Ų65.410%0.10337%0.371CS..  trans-93.8-1.3179.3-58.40000113.7A31 K34 R35 E39 I43 L154A31-V41 WeakPolarHBondContact O-CG1 3.38Å; K34-V41 HydrophobicContact CB-CG1 3.83Å; R35-V41 HydrophobicContact CB-CG1 3.93Å; E39-V41 PolarHBondContact O-N 3.04Å; V41-I43 PolarHBondContact O-N 2.87Å; V41-L154 HydrophobicContact CG2-CD1 4.18Å
42S88.6Confident92.3Very high84 Ų8467.8 Ų67.859%0.58738%0.38SS*.SBendtrans-54.9-37.8-176.567.80000112.9D40D40-S42 WeakPolarHBondContact OD1-CB 3.24Å; D40-S42 PolarHBondContact OD1-N 3.25Å; D40-S42 PolarHBondContact OD1-OG 3.42Å; D40-S42 PolarHBondContact OD2-OG 3.4Å
43I87.3Confident92.3Very high122 Ų12269.3 Ų69.363%0.62639%0.387SS*.  trans-130.3126.3178.9-56174.6000108.9K34 V41K34-I43 PolarHBondContact NZ-O 2.79Å; V41-I43 PolarHBondContact O-N 2.87Å
44T89.4Confident92.3Very high68 Ų6873.5 Ų73.542%0.41741%0.413SS..  trans-125.9142.2164.358.20000108.8T30 A31 K34T30-T44 HydrophobicContact CG2-CG2 4.33Å; A31-T44 HydrophobicContact CB-CG2 4.19Å; K34-T44 HydrophobicContact CD-CG2 4.02Å
45T90.8Very high92.3Very high107 Ų10773.4 Ų73.466%0.65641%0.414SS*.  trans-110.2154.8173.152.10000108.9T47T45-T47 PolarHBondContact O-N 3.3Å
46P92Very high92.4Very high80 Ų8073.6 Ų73.652%0.51943%0.434SS..PPolyproline II helixtrans-55.8127.5176.7-2634.7000112F48P46-F48 PolarHBondContact O-N 3.19Å
47T92.3Very high92.6Very high28 Ų2874.2 Ų74.217%0.17243%0.433CS..PPolyproline II helixtrans-70121.7177.5-56.20000110.1T30 T45 D66 G68T30-T47 PolarHBondContact OG1-OG1 2.95Å; T45-T47 PolarHBondContact O-N 3.3Å; T47-D66 PolarHBondContact OG1-OD2 2.83Å; T47-G68 WeakPolarHBondContact O-CA 3.35Å
48F90.1Very high92.7Very high176 Ų17678.6 Ų78.677%0.77245%0.445SS*.SBendtrans-96.8117.7171.7-171.1-99.9000109.6P46 F50 L73P46-F48 PolarHBondContact O-N 3.19Å; F48-F50 PolarHBondContact O-N 3.28Å; F48-L73 HydrophobicContact CD2-CD1 4.32Å; F48-L73 HydrophobicContact CE2-CD2 4.32Å
49G92.5Very high92.7Very high24 Ų2478.2 Ų78.225%0.24744%0.441CS..SBendtrans78.4-115.5-172.200000111.5G68G49-G68 PolarHBondContact O-N 2.58Å
50F95.2Very high92.9Very high95 Ų9576.3 Ų76.342%0.41743%0.431SS..EExtended strand (participates in β ladder)trans-148.7160.1-179.868.6-82.5000112F48 I52 W65 D66 V67 Y80F48-F50 PolarHBondContact O-N 3.28Å; F50-I52 HydrophobicContact CD2-CD1 4.34Å; F50-I52 HydrophobicContact CD2-CG1 3.86Å; F50-I52 HydrophobicContact CE2-CD1 3.84Å; F50-I52 HydrophobicContact CE2-CG1 3.85Å; F50-W65 AromaticContact CD2-CE3 3.54Å; F50-W65 HydrophobicContact CD2-CE3 3.54Å; F50-W65 AromaticContact CD2-CZ3 3.57Å; F50-W65 HydrophobicContact CD2-CZ3 3.57Å; F50-W65 AromaticContact CE2-CE3 3.84Å; F50-W65 HydrophobicContact CE2-CE3 3.84Å; F50-W65 HydrophobicContact CE2-CH2 4.21Å; F50-W65 AromaticContact CE2-CZ3 3.34Å; F50-W65 HydrophobicContact CE2-CZ3 3.34Å; F50-W65 HydrophobicContact CG-CE3 4.22Å; F50-W65 HydrophobicContact CG-CZ3 4.33Å; F50-W65 AromaticContact CZ-CZ3 3.91Å; F50-W65 HydrophobicContact CZ-CZ3 3.91Å; F50-D66 CarbonylContact C-O 3.57Å; F50-D66 WeakPolarHBondContact CA-O 3.22Å; F50-D66 WeakPolarHBondContact CB-O 3.46Å; F50-V67 HydrophobicContact CB-CG2 4.18Å; F50-Y80 HydrophobicContact CB-CE1 3.99Å; F50-Y80 HydrophobicContact CD1-CD1 4.47Å; F50-Y80 AromaticContact CD1-CE1 3.34Å; F50-Y80 HydrophobicContact CD1-CE1 3.34Å; F50-Y80 AromaticContact CD1-CZ 3.63Å; F50-Y80 VanDerWaalsContact CD1-OH 3.24Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.42Å; F50-Y80 HydrophobicContact CD2-CE1 4.45Å; F50-Y80 AromaticContact CE1-CE1 3.86Å; F50-Y80 HydrophobicContact CE1-CE1 3.86Å; F50-Y80 HydrophobicContact CG-CD1 4.48Å; F50-Y80 AromaticContact CG-CE1 3.67Å; F50-Y80 HydrophobicContact CG-CE1 3.67Å
51N95.3Very high93Very high80 Ų8073.4 Ų73.443%0.42842%0.417SS..EExtended strand (participates in β ladder)trans-126.5148.9167.5-168.3-18.9000108.9W65 D66N51-W65 CarbonylContact O-C 3.59Å; N51-W65 WeakPolarHBondContact O-CA 3.25Å; N51-D66 HydrophobicContact CB-CB 4.3Å; N51-D66 PolarHBondContact N-O 3.23Å; N51-D66 PolarHBondContact O-N 3.19Å
52I96.3Very high93.3Very high69 Ų6972.6 Ų72.635%0.35441%0.412SS..EExtended strand (participates in β ladder)trans-116.9126.6175-53.1173.6000108.4F50 I64 W65F50-I52 HydrophobicContact CD2-CD1 4.34Å; F50-I52 HydrophobicContact CD2-CG1 3.86Å; F50-I52 HydrophobicContact CE2-CD1 3.84Å; F50-I52 HydrophobicContact CE2-CG1 3.85Å; I52-I64 CarbonylContact C-O 3.54Å; I52-I64 WeakPolarHBondContact CA-O 3.4Å; I52-W65 HydrophobicContact CD1-CD2 3.99Å; I52-W65 HydrophobicContact CD1-CE3 3.91Å; I52-W65 HydrophobicContact CD1-CH2 3.4Å; I52-W65 VanDerWaalsContact CD1-CH2 3.4Å; I52-W65 HydrophobicContact CD1-CZ2 3.45Å; I52-W65 VanDerWaalsContact CD1-CZ2 3.45Å; I52-W65 HydrophobicContact CD1-CZ3 3.64Å; I52-W65 HydrophobicContact CG1-CD2 3.78Å; I52-W65 HydrophobicContact CG1-CE3 3.78Å; I52-W65 HydrophobicContact CG1-CG 4.38Å; I52-W65 HydrophobicContact CG1-CH2 4.22Å; I52-W65 HydrophobicContact CG1-CZ2 4.21Å; I52-W65 HydrophobicContact CG1-CZ3 4.01Å
53K96.1Very high93.8Very high36 Ų3670.1 Ų70.116%0.15739%0.392CS..EExtended strand (participates in β ladder)trans-113.2129.3167.7-68.9-172.4-179.9-70.60109.5L33 T37 E39 I64L33-K53 HydrophobicContact CB-CD 4.24Å; T37-K53 HydrophobicContact CG2-CD 3.96Å; E39-K53 WeakPolarHBondContact OE1-CE 3.43Å; E39-K53 IonicContact OE1-NZ 2.82Å; E39-K53 PolarHBondContact OE1-NZ 2.8Å; E39-K53 IonicContact OE2-NZ 3.18Å; E39-K53 PolarHBondContact OE2-NZ 2.95Å; K53-I64 PolarHBondContact N-O 3.34Å; K53-I64 PolarHBondContact O-N 3.15Å
54T96Very high94.3Very high92 Ų9264.5 Ų64.556%0.56436%0.364SS*.EExtended strand (participates in β ladder)trans-104.3124.8174.2-59.90000109.2T61 L62 N63T54-T61 HydrophobicContact CG2-CG2 3.44Å; T54-T61 VanDerWaalsContact CG2-CG2 3.44Å; T54-L62 CarbonylContact C-O 3.55Å; T54-L62 VanDerWaalsContact CA-O 3.28Å; T54-L62 WeakPolarHBondContact CA-O 3.43Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.42Å; T54-N63 PolarHBondContact OG1-OD1 3.22Å
55L94.3Very high94.7Very high43 Ų4363.8 Ų63.823%0.22535%0.353CS..EExtended strand (participates in β ladder)trans-128.2130.3-178.5178.769.2000110.2Y57 L62L55-Y57 HydrophobicContact CD2-CD2 4.37Å; L55-L62 HydrophobicContact CB-CB 4.46Å; L55-L62 PolarHBondContact N-O 2.8Å; L55-L62 PolarHBondContact O-N 3.11Å
56A94.7Very high95Very high86 Ų8658.9 Ų58.971%0.71132%0.323SS*.EExtended strand (participates in β ladder)trans-79.6121.3166.400000109.3Y60A56-Y60 CarbonylContact C-O 3.56Å; A56-Y60 WeakPolarHBondContact CA-O 3.48Å
57Y95.5Very high95.2Very high48 Ų4855.2 Ų55.219%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-143.9121-176.9-165.2-99.1000111.4L55 G59 Y60 L62 V160 I163 D164 V167L55-Y57 HydrophobicContact CD2-CD2 4.37Å; Y57-G59 PolarHBondContact O-N 2.85Å; Y57-G59 VanDerWaalsContact O-N 3.1Å; Y57-Y60 PolarHBondContact N-O 3.31Å; Y57-Y60 WeakPolarHBondContact O-CB 3.5Å; Y57-Y60 PolarHBondContact O-N 2.83Å; Y57-L62 HydrophobicContact CD1-CD1 4.38Å; Y57-L62 HydrophobicContact CG-CD1 4.21Å; Y57-V160 WeakPolarHBondContact OH-CG1 3.15Å; Y57-I163 HydrophobicContact CD1-CG2 4.04Å; Y57-I163 HydrophobicContact CE1-CG2 3.84Å; Y57-D164 VanDerWaalsContact CE1-OD1 3.25Å; Y57-D164 WeakPolarHBondContact CE1-OD1 3.12Å; Y57-D164 VanDerWaalsContact CZ-OD1 3.27Å; Y57-D164 PolarHBondContact OH-OD1 2.78Å; Y57-V167 HydrophobicContact CD1-CG2 4.08Å
58R93Very high95.3Very high140 Ų14054 Ų5453%0.52829%0.291SS..THydrogen-bonded Turntrans4937.7178.7-66.1-172169.2-175.21.1114.7Y60 D164R58-Y60 VanDerWaalsContact C-N 3.29Å; R58-Y60 WeakPolarHBondContact O-CD2 3.48Å; R58-Y60 PolarHBondContact O-N 2.84Å; R58-D164 IonicContact CZ-OD1 3.59Å; R58-D164 IonicContact CZ-OD2 3.54Å; R58-D164 VanDerWaalsContact CZ-OD2 3.23Å; R58-D164 IonicContact NE-OD1 3.68Å; R58-D164 PolarHBondContact NE-OD1 2.85Å; R58-D164 VanDerWaalsContact NE-OD1 3.14Å; R58-D164 VanDerWaalsContact NH1-CG 3.28Å; R58-D164 IonicContact NH1-OD1 3.05Å; R58-D164 PolarHBondContact NH1-OD1 3.1Å; R58-D164 IonicContact NH1-OD2 3.65Å; R58-D164 PolarHBondContact NH1-OD2 3.14Å; R58-D164 IonicContact NH2-OD1 3.07Å; R58-D164 PolarHBondContact NH2-OD1 2.66Å; R58-D164 IonicContact NH2-OD2 2.66Å; R58-D164 PolarHBondContact NH2-OD2 3.28Å
59G91.2Very high95.4Very high63 Ų6345.7 Ų45.765%0.64926%0.255SS*.THydrogen-bonded Turntrans85.7-7-179.500000114.9M15 Y57M15-G59 WeakPolarHBondContact CE-O 3.37Å; Y57-G59 PolarHBondContact O-N 2.85Å; Y57-G59 VanDerWaalsContact O-N 3.1Å
60Y95.6Very high95.4Very high35 Ų3548 Ų4814%0.13726%0.26CS..EExtended strand (participates in β ladder)trans-97.5156.3173.6-59.9-81.7000111.5M15 M17 A56 Y57 R58 V167 A171 F175M15-Y60 HydrophobicContact CB-CD1 4.44Å; M15-Y60 HydrophobicContact CE-CD1 3.52Å; M15-Y60 HydrophobicContact CE-CD2 4.47Å; M15-Y60 HydrophobicContact CE-CE1 3.4Å; M15-Y60 HydrophobicContact CE-CE2 4.38Å; M15-Y60 HydrophobicContact CE-CG 4.07Å; M15-Y60 CarbonylContact O-C 3.6Å; M15-Y60 VanDerWaalsContact O-CA 3.25Å; M15-Y60 WeakPolarHBondContact O-CA 3.07Å; M15-Y60 WeakPolarHBondContact O-CB 3.3Å; M15-Y60 HydrophobicContact SD-CD1 4.26Å; M15-Y60 HydrophobicContact SD-CE1 3.93Å; M17-Y60 HydrophobicContact CE-CD1 3.36Å; M17-Y60 HydrophobicContact CE-CD2 3.91Å; M17-Y60 HydrophobicContact CE-CE1 3.52Å; M17-Y60 HydrophobicContact CE-CE2 4.04Å; M17-Y60 HydrophobicContact CE-CG 3.57Å; M17-Y60 HydrophobicContact CG-CD1 4.37Å; M17-Y60 HydrophobicContact SD-CD1 4.22Å; M17-Y60 HydrophobicContact SD-CG 4.06Å; A56-Y60 CarbonylContact C-O 3.56Å; A56-Y60 WeakPolarHBondContact CA-O 3.48Å; Y57-Y60 PolarHBondContact N-O 3.31Å; Y57-Y60 WeakPolarHBondContact O-CB 3.5Å; Y57-Y60 PolarHBondContact O-N 2.83Å; R58-Y60 VanDerWaalsContact C-N 3.29Å; R58-Y60 WeakPolarHBondContact O-CD2 3.48Å; R58-Y60 PolarHBondContact O-N 2.84Å; Y60-V167 HydrophobicContact CD2-CG1 3.63Å; Y60-V167 HydrophobicContact CE2-CG1 3.97Å; Y60-V167 HydrophobicContact CG-CG1 4.45Å; Y60-A171 HydrophobicContact CE1-CB 4.43Å; Y60-A171 HydrophobicContact CE2-CB 4.29Å; Y60-A171 VanDerWaalsContact OH-CB 3.24Å; Y60-A171 WeakPolarHBondContact OH-CB 3.21Å; Y60-F175 HydrophobicContact CE1-CE2 4.21Å; Y60-F175 WeakPolarHBondContact OH-CE2 3.18Å
61T96.3Very high95.1Very high48 Ų4849.7 Ų49.729%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-103.9108.6168.8-61.30000108.4M15 E16 M17 T54M15-T61 PolarHBondContact O-N 3.49Å; E16-T61 CarbonylContact C-O 3.49Å; E16-T61 WeakPolarHBondContact CA-O 3.41Å; E16-T61 HydrophobicContact CG-CG2 4.45Å; M17-T61 PolarHBondContact N-O 2.89Å; T54-T61 HydrophobicContact CG2-CG2 3.44Å; T54-T61 VanDerWaalsContact CG2-CG2 3.44Å
62L97.4Very high94.9Very high0 Ų053.2 Ų53.20%029%0.288CS..EExtended strand (participates in β ladder)trans-87.9112.5179-49.1-171000109.3M17 I19 T54 L55 Y57 I64 I163 V167M17-L62 HydrophobicContact CB-CD2 3.84Å; M17-L62 HydrophobicContact CG-CD2 4.19Å; M17-L62 HydrophobicContact SD-CD2 3.67Å; I19-L62 HydrophobicContact CD1-CB 4.14Å; I19-L62 HydrophobicContact CD1-CD1 4.14Å; I19-L62 HydrophobicContact CD1-CD2 4.21Å; I19-L62 HydrophobicContact CD1-CG 4.39Å; T54-L62 CarbonylContact C-O 3.55Å; T54-L62 VanDerWaalsContact CA-O 3.28Å; T54-L62 WeakPolarHBondContact CA-O 3.43Å; L55-L62 HydrophobicContact CB-CB 4.46Å; L55-L62 PolarHBondContact N-O 2.8Å; L55-L62 PolarHBondContact O-N 3.11Å; Y57-L62 HydrophobicContact CD1-CD1 4.38Å; Y57-L62 HydrophobicContact CG-CD1 4.21Å; L62-I64 HydrophobicContact CB-CD1 4.27Å; L62-I64 HydrophobicContact CB-CG1 4.04Å; L62-I163 HydrophobicContact CD1-CG2 4.12Å; L62-V167 HydrophobicContact CD1-CG2 3.99Å; L62-V167 HydrophobicContact CD2-CG2 3.91Å
63N97.5Very high94.6Very high33 Ų3351 Ų5118%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-96.896.1173.2-69-49.4000108.9M17 I19 T54M17-N63 PolarHBondContact O-N 3.29Å; I19-N63 PolarHBondContact N-O 2.96Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.42Å; T54-N63 PolarHBondContact OG1-OD1 3.22Å
64I98.4Very high94.3Very high4 Ų451.8 Ų51.82%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-100.5117.7-169.6-47.2171.9000110.7I19 V21 L33 I52 K53 L62I19-I64 HydrophobicContact CB-CG1 4.25Å; I19-I64 HydrophobicContact CB-CG2 4.3Å; I19-I64 HydrophobicContact CD1-CG1 4.3Å; I19-I64 HydrophobicContact CG2-CG2 4.18Å; I19-I64 CarbonylContact O-C 3.5Å; I19-I64 WeakPolarHBondContact O-CA 3.48Å; V21-I64 HydrophobicContact CG2-CG2 3.38Å; L33-I64 HydrophobicContact CD1-CG2 4.16Å; L33-I64 HydrophobicContact CD2-CB 4.28Å; L33-I64 HydrophobicContact CD2-CD1 4.08Å; L33-I64 HydrophobicContact CD2-CG2 3.49Å; L33-I64 VanDerWaalsContact CD2-CG2 3.49Å; L33-I64 HydrophobicContact CG-CG2 4.49Å; I52-I64 CarbonylContact C-O 3.54Å; I52-I64 WeakPolarHBondContact CA-O 3.4Å; K53-I64 PolarHBondContact N-O 3.34Å; K53-I64 PolarHBondContact O-N 3.15Å; L62-I64 HydrophobicContact CB-CD1 4.27Å; L62-I64 HydrophobicContact CB-CG1 4.04Å
65W97.9Very high94.1Very high52 Ų5250.9 Ų50.920%0.19728%0.276CS..EExtended strand (participates in β ladder)trans-96.1105.2-179.2-65.970.8000110.1I19 L20 V21 F50 N51 I52 Y80I19-W65 PolarHBondContact O-N 3.05Å; L20-W65 HydrophobicContact CD1-CB 3.96Å; V21-W65 PolarHBondContact N-O 3.34Å; F50-W65 AromaticContact CD2-CE3 3.54Å; F50-W65 HydrophobicContact CD2-CE3 3.54Å; F50-W65 AromaticContact CD2-CZ3 3.57Å; F50-W65 HydrophobicContact CD2-CZ3 3.57Å; F50-W65 AromaticContact CE2-CE3 3.84Å; F50-W65 HydrophobicContact CE2-CE3 3.84Å; F50-W65 HydrophobicContact CE2-CH2 4.21Å; F50-W65 AromaticContact CE2-CZ3 3.34Å; F50-W65 HydrophobicContact CE2-CZ3 3.34Å; F50-W65 HydrophobicContact CG-CE3 4.22Å; F50-W65 HydrophobicContact CG-CZ3 4.33Å; F50-W65 AromaticContact CZ-CZ3 3.91Å; F50-W65 HydrophobicContact CZ-CZ3 3.91Å; N51-W65 CarbonylContact O-C 3.59Å; N51-W65 WeakPolarHBondContact O-CA 3.25Å; I52-W65 HydrophobicContact CD1-CD2 3.99Å; I52-W65 HydrophobicContact CD1-CE3 3.91Å; I52-W65 HydrophobicContact CD1-CH2 3.4Å; I52-W65 VanDerWaalsContact CD1-CH2 3.4Å; I52-W65 HydrophobicContact CD1-CZ2 3.45Å; I52-W65 VanDerWaalsContact CD1-CZ2 3.45Å; I52-W65 HydrophobicContact CD1-CZ3 3.64Å; I52-W65 HydrophobicContact CG1-CD2 3.78Å; I52-W65 HydrophobicContact CG1-CE3 3.78Å; I52-W65 HydrophobicContact CG1-CG 4.38Å; I52-W65 HydrophobicContact CG1-CH2 4.22Å; I52-W65 HydrophobicContact CG1-CZ2 4.21Å; I52-W65 HydrophobicContact CG1-CZ3 4.01Å; W65-Y80 AromaticContact CE3-CD1 3.92Å; W65-Y80 HydrophobicContact CE3-CD1 3.92Å; W65-Y80 HydrophobicContact CE3-CE1 4.47Å; W65-Y80 HydrophobicContact CZ3-CD1 4.06Å; W65-Y80 HydrophobicContact CZ3-CE1 4.42Å
66D97.2Very high94Very high5 Ų554.8 Ų54.83%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-83113.1170.9-171.116.9000109.8K29 T30 L33 T47 F50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.34Å; T30-D66 WeakPolarHBondContact CB-OD2 3.49Å; T30-D66 PolarHBondContact OG1-OD2 2.94Å; L33-D66 HydrophobicContact CD1-CB 3.44Å; L33-D66 VanDerWaalsContact CD1-CB 3.44Å; T47-D66 PolarHBondContact OG1-OD2 2.83Å; F50-D66 CarbonylContact C-O 3.57Å; F50-D66 WeakPolarHBondContact CA-O 3.22Å; F50-D66 WeakPolarHBondContact CB-O 3.46Å; N51-D66 HydrophobicContact CB-CB 4.3Å; N51-D66 PolarHBondContact N-O 3.23Å; N51-D66 PolarHBondContact O-N 3.19Å
67V96.1Very high93.9Very high3 Ų350.9 Ų50.92%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-107.5137.2-175.7-178.70000111.5L20 V21 V22 K29 F50 S69 Y80L20-V67 HydrophobicContact CD1-CG2 3.53Å; V21-V67 PolarHBondContact O-N 2.93Å; V22-V67 HydrophobicContact CG1-CB 4.4Å; K29-V67 WeakPolarHBondContact CE-O 3.37Å; F50-V67 HydrophobicContact CB-CG2 4.18Å; V67-S69 PolarHBondContact O-OG 2.92Å; V67-Y80 HydrophobicContact CB-CD2 4.39Å; V67-Y80 HydrophobicContact CB-CE2 4.5Å; V67-Y80 HydrophobicContact CG1-CD2 3.72Å; V67-Y80 HydrophobicContact CG1-CE2 3.55Å; V67-Y80 HydrophobicContact CG2-CD1 4.5Å; V67-Y80 HydrophobicContact CG2-CD2 3.68Å; V67-Y80 HydrophobicContact CG2-CE2 4.05Å; V67-Y80 HydrophobicContact CG2-CG 3.93Å
68G93.7Very high93.9Very high1 Ų153.3 Ų53.31%0.0127%0.265CS..  trans-60.5141.1173.400000112.8T47 G49 W77T47-G68 WeakPolarHBondContact O-CA 3.35Å; G49-G68 PolarHBondContact O-N 2.58Å; G68-W77 PolarHBondContact O-NE1 3.08Å
69S93.1Very high94Very high2 Ų252 Ų521%0.01427%0.268CS..  trans-127.26.2-169.2-63.50000115.3G23 K29 V67 R74G23-S69 WeakPolarHBondContact O-CB 3.14Å; G23-S69 PolarHBondContact O-OG 2.97Å; K29-S69 WeakPolarHBondContact CE-OG 3.47Å; K29-S69 PolarHBondContact NZ-OG 3.28Å; V67-S69 PolarHBondContact O-OG 2.92Å; S69-R74 PolarHBondContact O-NE 3.32Å
70Q92Very high94.2Very high73 Ų7350.4 Ų50.434%0.34124%0.243SC..SBendtrans-53.4146.4170.2-66.5-175.9-1.700109.2M72 L73 R74Q70-M72 PolarHBondContact O-N 2.78Å; Q70-L73 HydrophobicContact CB-CD1 4.31Å; Q70-L73 HydrophobicContact CB-CG 4.39Å; Q70-L73 WeakPolarHBondContact O-CA 3.2Å; Q70-L73 WeakPolarHBondContact O-CB 3.24Å; Q70-L73 PolarHBondContact O-N 3.15Å; Q70-R74 PolarHBondContact O-N 3.03Å
71L89.8Confident94.2Very high130 Ų13048.9 Ų48.968%0.68124%0.237SC*.G310 helixtrans-49.8-42.5-171.7-175.762.8000112.9L73 R74L71-L73 PolarHBondContact O-N 2.97Å; L71-R74 PolarHBondContact O-N 3.46Å
72M90.2Very high94Very high155 Ų15552.1 Ų52.176%0.76425%0.249SC*.G310 helixtrans-65.9-21.4178.7-60.7-62.2-69.600114.1Q70Q70-M72 PolarHBondContact O-N 2.78Å
73L90.2Very high93.7Very high23 Ų2359 Ų5912%0.1228%0.281CS..G310 helixtrans-94.4-17.5-178.1-63.2179.5000113.4F48 Q70 L71 S75 Y76F48-L73 HydrophobicContact CD2-CD1 4.32Å; F48-L73 HydrophobicContact CE2-CD2 4.32Å; Q70-L73 HydrophobicContact CB-CD1 4.31Å; Q70-L73 HydrophobicContact CB-CG 4.39Å; Q70-L73 WeakPolarHBondContact O-CA 3.2Å; Q70-L73 WeakPolarHBondContact O-CB 3.24Å; Q70-L73 PolarHBondContact O-N 3.15Å; L71-L73 PolarHBondContact O-N 2.97Å; L73-S75 PolarHBondContact O-N 3.39Å; L73-Y76 HydrophobicContact CD2-CD2 4.45Å; L73-Y76 WeakPolarHBondContact O-CB 3.43Å; L73-Y76 PolarHBondContact O-N 2.68Å
74R91Very high93.7Very high52 Ų5257.9 Ų57.920%0.19628%0.275CS..G310 helixtrans-61.1-30.3-173.1-62.2-176-175.2171.9-5.7113.5S69 Q70 L71 Y76 W77 E97S69-R74 PolarHBondContact O-NE 3.32Å; Q70-R74 PolarHBondContact O-N 3.03Å; L71-R74 PolarHBondContact O-N 3.46Å; R74-Y76 PolarHBondContact O-N 2.66Å; R74-W77 HydrophobicContact CB-CD2 4.42Å; R74-W77 HydrophobicContact CB-CZ2 4.34Å; R74-W77 HydrophobicContact CG-CH2 4.17Å; R74-W77 HydrophobicContact CG-CZ2 3.78Å; R74-W77 WeakPolarHBondContact O-CB 3.45Å; R74-W77 PolarHBondContact O-N 3.31Å; R74-E97 IonicContact NH1-OE1 3.43Å
75S90.3Very high93.5Very high72 Ų7260.3 Ų60.350%0.50329%0.288SS..G310 helixtrans-62.5-27.4175.252.60000112.9L73L73-S75 PolarHBondContact O-N 3.39Å
76Y92.1Very high93.5Very high126 Ų12657.9 Ų57.949%0.49428%0.279SS..G310 helixtrans-85.4-5.8-178.9-58.9-83.5000113.7L73 R74 R78 N79 Y80L73-Y76 HydrophobicContact CD2-CD2 4.45Å; L73-Y76 WeakPolarHBondContact O-CB 3.43Å; L73-Y76 PolarHBondContact O-N 2.68Å; R74-Y76 PolarHBondContact O-N 2.66Å; Y76-R78 PolarHBondContact O-N 2.99Å; Y76-R78 VanDerWaalsContact O-N 3.15Å; Y76-N79 VanDerWaalsContact O-CB 3.3Å; Y76-N79 WeakPolarHBondContact O-CB 3.48Å; Y76-N79 PolarHBondContact O-N 3.06Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.28Å; Y76-Y80 VanDerWaalsContact O-CE2 3.27Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.02Å
77W94.2Very high93.5Very high4 Ų457.8 Ų57.82%0.01528%0.279CS..G310 helixtrans-53.4-36.8175.4-70.1-5.2000112V22 G23 G68 R74 N79 Y80 F81 W89 L103V22-W77 HydrophobicContact CG1-CD2 4.37Å; V22-W77 HydrophobicContact CG1-CG 4.45Å; G23-W77 WeakPolarHBondContact O-CZ2 3.35Å; G68-W77 PolarHBondContact O-NE1 3.08Å; R74-W77 HydrophobicContact CB-CD2 4.42Å; R74-W77 HydrophobicContact CB-CZ2 4.34Å; R74-W77 HydrophobicContact CG-CH2 4.17Å; R74-W77 HydrophobicContact CG-CZ2 3.78Å; R74-W77 WeakPolarHBondContact O-CB 3.45Å; R74-W77 PolarHBondContact O-N 3.31Å; W77-N79 PolarHBondContact O-N 2.77Å; W77-Y80 WeakPolarHBondContact O-CD2 3.35Å; W77-Y80 PolarHBondContact O-N 3.29Å; W77-F81 VanDerWaalsContact C-CE1 3.45Å; W77-F81 HydrophobicContact CB-CE1 3.88Å; W77-F81 HydrophobicContact CB-CZ 3.75Å; W77-F81 VanDerWaalsContact O-CD1 3.24Å; W77-F81 WeakPolarHBondContact O-CD1 3.18Å; W77-F81 WeakPolarHBondContact O-CE1 3.13Å; W77-W89 HydrophobicContact CH2-CH2 4.08Å; W77-W89 AromaticContact CH2-CZ3 3.88Å; W77-W89 HydrophobicContact CH2-CZ3 3.88Å; W77-W89 HydrophobicContact CZ3-CH2 4.26Å; W77-W89 AromaticContact CZ3-CZ3 3.89Å; W77-W89 HydrophobicContact CZ3-CZ3 3.89Å; W77-L103 HydrophobicContact CE3-CD2 4.07Å
78R94.2Very high93.6Very high99 Ų9957.9 Ų57.937%0.37428%0.279SS..G310 helixtrans-55.8-22.7176.4-74.2-178.8178.692.611.5114.9Y76 Y80 F81 E106 R108Y76-R78 PolarHBondContact O-N 2.99Å; Y76-R78 VanDerWaalsContact O-N 3.15Å; R78-Y80 PolarHBondContact O-N 2.85Å; R78-F81 VanDerWaalsContact CA-CE2 3.48Å; R78-F81 HydrophobicContact CB-CD2 4.31Å; R78-F81 HydrophobicContact CB-CE2 4.09Å; R78-F81 HydrophobicContact CG-CD2 4.06Å; R78-F81 HydrophobicContact CG-CE2 3.51Å; R78-F81 HydrophobicContact CG-CZ 4.24Å; R78-E106 IonicContact CZ-OE1 3.17Å; R78-E106 IonicContact NE-OE1 3.06Å; R78-E106 PolarHBondContact NE-OE1 2.63Å; R78-E106 IonicContact NE-OE2 3.74Å; R78-E106 IonicContact NH2-OE1 3.23Å; R78-E106 PolarHBondContact NH2-OE1 3.16Å; R78-R108 PolarHBondContact O-NH1 3.44Å; R78-R108 PolarHBondContact O-NH2 3.47Å
79N94.6Very high93.8Very high113 Ų11358 Ų5860%0.60428%0.279SS*.G310 helixtrans-74.5-12.4178.9-62-8000112Y76 W77Y76-N79 VanDerWaalsContact O-CB 3.3Å; Y76-N79 WeakPolarHBondContact O-CB 3.48Å; Y76-N79 PolarHBondContact O-N 3.06Å; W77-N79 PolarHBondContact O-N 2.77Å
80Y95.3Very high94.1Very high29 Ų2957.9 Ų57.911%0.11428%0.279CS..G310 helixtrans-112.42.9-175.4-47.7-73.2000113.9R18 F50 W65 V67 Y76 W77 R78 T84R18-Y80 VanDerWaalsContact CZ-O 3.3Å; R18-Y80 PolarHBondContact NH1-O 2.84Å; R18-Y80 PolarHBondContact NH2-O 2.8Å; F50-Y80 HydrophobicContact CB-CE1 3.99Å; F50-Y80 HydrophobicContact CD1-CD1 4.47Å; F50-Y80 AromaticContact CD1-CE1 3.34Å; F50-Y80 HydrophobicContact CD1-CE1 3.34Å; F50-Y80 AromaticContact CD1-CZ 3.63Å; F50-Y80 VanDerWaalsContact CD1-OH 3.24Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.42Å; F50-Y80 HydrophobicContact CD2-CE1 4.45Å; F50-Y80 AromaticContact CE1-CE1 3.86Å; F50-Y80 HydrophobicContact CE1-CE1 3.86Å; F50-Y80 HydrophobicContact CG-CD1 4.48Å; F50-Y80 AromaticContact CG-CE1 3.67Å; F50-Y80 HydrophobicContact CG-CE1 3.67Å; W65-Y80 AromaticContact CE3-CD1 3.92Å; W65-Y80 HydrophobicContact CE3-CD1 3.92Å; W65-Y80 HydrophobicContact CE3-CE1 4.47Å; W65-Y80 HydrophobicContact CZ3-CD1 4.06Å; W65-Y80 HydrophobicContact CZ3-CE1 4.42Å; V67-Y80 HydrophobicContact CB-CD2 4.39Å; V67-Y80 HydrophobicContact CB-CE2 4.5Å; V67-Y80 HydrophobicContact CG1-CD2 3.72Å; V67-Y80 HydrophobicContact CG1-CE2 3.55Å; V67-Y80 HydrophobicContact CG2-CD1 4.5Å; V67-Y80 HydrophobicContact CG2-CD2 3.68Å; V67-Y80 HydrophobicContact CG2-CE2 4.05Å; V67-Y80 HydrophobicContact CG2-CG 3.93Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.28Å; Y76-Y80 VanDerWaalsContact O-CE2 3.27Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.02Å; W77-Y80 WeakPolarHBondContact O-CD2 3.35Å; W77-Y80 PolarHBondContact O-N 3.29Å; R78-Y80 PolarHBondContact O-N 2.85Å; Y80-T84 PolarHBondContact O-OG1 2.89Å
81F95.8Very high94.4Very high2 Ų254.7 Ų54.71%0.00926%0.264CS..  trans-78.8-22.9-174.9-62.1-14.8000114.3L20 W77 R78 E83 T84 L103 E106 R108 L109L20-F81 HydrophobicContact CD2-CD1 3.49Å; L20-F81 VanDerWaalsContact CD2-CD1 3.49Å; L20-F81 HydrophobicContact CD2-CE1 3.8Å; W77-F81 VanDerWaalsContact C-CE1 3.45Å; W77-F81 HydrophobicContact CB-CE1 3.88Å; W77-F81 HydrophobicContact CB-CZ 3.75Å; W77-F81 VanDerWaalsContact O-CD1 3.24Å; W77-F81 WeakPolarHBondContact O-CD1 3.18Å; W77-F81 WeakPolarHBondContact O-CE1 3.13Å; R78-F81 VanDerWaalsContact CA-CE2 3.48Å; R78-F81 HydrophobicContact CB-CD2 4.31Å; R78-F81 HydrophobicContact CB-CE2 4.09Å; R78-F81 HydrophobicContact CG-CD2 4.06Å; R78-F81 HydrophobicContact CG-CE2 3.51Å; R78-F81 HydrophobicContact CG-CZ 4.24Å; F81-E83 PolarHBondContact O-N 3.32Å; F81-T84 WeakPolarHBondContact O-CB 3.27Å; F81-T84 PolarHBondContact O-N 2.8Å; F81-T84 PolarHBondContact O-OG1 2.92Å; F81-L103 HydrophobicContact CE1-CD2 3.87Å; F81-L103 HydrophobicContact CZ-CD2 3.6Å; F81-E106 HydrophobicContact CD2-CB 3.96Å; F81-E106 HydrophobicContact CD2-CG 3.81Å; F81-E106 WeakPolarHBondContact CD2-OE2 2.98Å; F81-E106 HydrophobicContact CE2-CB 4.08Å; F81-E106 HydrophobicContact CE2-CG 3.43Å; F81-E106 VanDerWaalsContact CE2-CG 3.43Å; F81-E106 HydrophobicContact CZ-CG 4.42Å; F81-R108 HydrophobicContact CB-CB 4.08Å; F81-L109 HydrophobicContact CB-CD2 3.89Å; F81-L109 HydrophobicContact CB-CG 4.1Å; F81-L109 HydrophobicContact CD1-CD1 3.88Å; F81-L109 HydrophobicContact CD1-CD2 4.26Å; F81-L109 HydrophobicContact CD1-CG 4.37Å; F81-L109 HydrophobicContact CD2-CD1 4.06Å; F81-L109 HydrophobicContact CD2-CG 4.33Å; F81-L109 HydrophobicContact CE1-CD1 4.05Å; F81-L109 HydrophobicContact CE2-CD1 4.25Å; F81-L109 HydrophobicContact CG-CD1 3.9Å; F81-L109 HydrophobicContact CG-CD2 4.13Å; F81-L109 HydrophobicContact CG-CG 4.03Å; F81-L109 HydrophobicContact CZ-CD1 4.25Å
82E93.4Very high94.8Very high116 Ų11648.9 Ų48.954%0.54223%0.234SC..THydrogen-bonded Turntrans-62136.3-177.6-156.762.9-149.500111.1R18 T84 R108R18-E82 VanDerWaalsContact CZ-O 3.28Å; R18-E82 PolarHBondContact NH1-O 2.91Å; E82-T84 PolarHBondContact O-N 3.39Å; E82-T84 VanDerWaalsContact O-N 3.09Å; E82-R108 WeakPolarHBondContact OE2-CD 3.4Å
83E91.4Very high95.2Very high145 Ų14541.5 Ų41.568%0.67820%0.197SC*.THydrogen-bonded Turntrans57.519.2179.9-55.8-179.7165.100114.9R18 F81 N85R18-E83 WeakPolarHBondContact CB-O 3.4Å; R18-E83 WeakPolarHBondContact CD-O 3.47Å; F81-E83 PolarHBondContact O-N 3.32Å; E83-N85 PolarHBondContact O-N 3.28Å
84T95.8Very high95.5Very high10 Ų1042.5 Ų42.56%0.06121%0.205CC..  trans-71.4119.4175.4-65.30000111R18 L20 Y80 F81 E82 C86 V87 L109R18-T84 PolarHBondContact NH1-OG1 3.36Å; L20-T84 HydrophobicContact CB-CG2 3.76Å; Y80-T84 PolarHBondContact O-OG1 2.89Å; F81-T84 WeakPolarHBondContact O-CB 3.27Å; F81-T84 PolarHBondContact O-N 2.8Å; F81-T84 PolarHBondContact O-OG1 2.92Å; E82-T84 PolarHBondContact O-N 3.39Å; E82-T84 VanDerWaalsContact O-N 3.09Å; T84-C86 VanDerWaalsContact CG2-C 3.46Å; T84-C86 WeakPolarHBondContact CG2-O 3.39Å; T84-V87 HydrophobicContact CG2-CG2 3.78Å; T84-L109 HydrophobicContact CG2-CD2 4.16Å
85N95.8Very high95.7Very high55 Ų5547.4 Ų47.429%0.29422%0.224SC..SBendtrans-79.8-37.2172.3-56.2118.5000111.8R18 E83 S112 T113 I170R18-N85 PolarHBondContact N-OD1 2.82Å; R18-N85 PolarHBondContact O-N 3.4Å; E83-N85 PolarHBondContact O-N 3.28Å; N85-S112 WeakPolarHBondContact O-CA 3.49Å; N85-S112 WeakPolarHBondContact O-CB 3.38Å; N85-T113 PolarHBondContact O-N 3.41Å; N85-I170 HydrophobicContact CB-CD1 4.26Å; N85-I170 HydrophobicContact CB-CG1 4.35Å; N85-I170 HydrophobicContact CB-CG2 3.89Å
86C97.4Very high96Very high0 Ų046 Ų460%021%0.212CC..EExtended strand (participates in β ladder)trans-141.5136.9179174.30000112.3R18 I19 L20 T84 T113 I170R18-C86 PolarHBondContact O-N 2.91Å; I19-C86 CarbonylContact C-O 3.57Å; I19-C86 WeakPolarHBondContact CA-O 3.24Å; I19-C86 HydrophobicContact CG1-CB 4.42Å; L20-C86 PolarHBondContact N-O 2.79Å; T84-C86 VanDerWaalsContact CG2-C 3.46Å; T84-C86 WeakPolarHBondContact CG2-O 3.39Å; C86-T113 CarbonylContact C-O 3.6Å; C86-T113 VanDerWaalsContact CA-O 3.22Å; C86-T113 WeakPolarHBondContact CA-O 3.49Å; C86-T113 HydrophobicContact CB-CG2 4.48Å; C86-I170 HydrophobicContact CB-CD1 3.46Å; C86-I170 VanDerWaalsContact CB-CD1 3.46Å; C86-I170 HydrophobicContact CB-CG1 3.99Å
87V97.9Very high96Very high4 Ų443.1 Ų43.12%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-100.9120.6168.7179.50000108.5L20 V22 T84 L103 L109 T113 L114 A115L20-V87 CarbonylContact O-C 3.51Å; L20-V87 WeakPolarHBondContact O-CA 3.29Å; V22-V87 HydrophobicContact CG2-CG1 3.48Å; V22-V87 VanDerWaalsContact CG2-CG1 3.48Å; T84-V87 HydrophobicContact CG2-CG2 3.78Å; V87-L103 HydrophobicContact CG1-CD1 4.05Å; V87-L109 HydrophobicContact CG2-CD1 4.04Å; V87-L109 HydrophobicContact CG2-CD2 3.68Å; V87-L109 HydrophobicContact CG2-CG 4.34Å; V87-T113 PolarHBondContact N-O 3.43Å; V87-L114 HydrophobicContact CB-CD1 4.17Å; V87-L114 HydrophobicContact CG1-CD1 4.12Å; V87-L114 WeakPolarHBondContact O-CA 3.42Å; V87-A115 PolarHBondContact O-N 2.83Å
88I98.2Very high95.8Very high5 Ų545.1 Ų45.13%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-92.3109.1166-58.4-176.4000107.8I19 L20 V21 V22 V90 A115 L117 I163 L166I19-I88 HydrophobicContact CG2-CD1 3.59Å; I19-I88 HydrophobicContact CG2-CG1 3.69Å; L20-I88 PolarHBondContact O-N 2.96Å; V21-I88 HydrophobicContact CG1-CB 4.43Å; V21-I88 HydrophobicContact CG1-CG2 4.42Å; V21-I88 HydrophobicContact CG2-CB 4.18Å; V21-I88 HydrophobicContact CG2-CD1 4.22Å; V22-I88 PolarHBondContact N-O 3.1Å; I88-V90 HydrophobicContact CG2-CG2 3.95Å; I88-A115 CarbonylContact C-O 3.56Å; I88-A115 VanDerWaalsContact CA-O 3.27Å; I88-A115 WeakPolarHBondContact CA-O 3.44Å; I88-A115 HydrophobicContact CG1-CB 4.21Å; I88-L117 HydrophobicContact CG2-CB 4.47Å; I88-L117 HydrophobicContact CG2-CD1 3.53Å; I88-L117 HydrophobicContact CG2-CG 3.73Å; I88-I163 HydrophobicContact CD1-CD1 4.16Å; I88-L166 HydrophobicContact CD1-CD2 3.74Å; I88-L166 HydrophobicContact CG1-CD2 4.04Å
89W97.8Very high95.7Very high2 Ų241.7 Ų41.71%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-91.7107.4170.7-179.4-110.4000110.3V22 G23 W77 V91 L99 L100 L103 L114 A115 I116 L117V22-W89 HydrophobicContact CB-CE3 4.25Å; V22-W89 HydrophobicContact CB-CZ3 4.37Å; V22-W89 HydrophobicContact CG2-CE3 4.01Å; V22-W89 CarbonylContact O-C 3.45Å; V22-W89 WeakPolarHBondContact O-CA 3.41Å; G23-W89 VanDerWaalsContact N-CZ3 3.33Å; W77-W89 HydrophobicContact CH2-CH2 4.08Å; W77-W89 AromaticContact CH2-CZ3 3.88Å; W77-W89 HydrophobicContact CH2-CZ3 3.88Å; W77-W89 HydrophobicContact CZ3-CH2 4.26Å; W77-W89 AromaticContact CZ3-CZ3 3.89Å; W77-W89 HydrophobicContact CZ3-CZ3 3.89Å; W89-V91 VanDerWaalsContact CD1-CG2 3.47Å; W89-L99 HydrophobicContact CH2-CB 3.92Å; W89-L99 HydrophobicContact CZ2-CB 4.17Å; W89-L100 HydrophobicContact CB-CD1 3.97Å; W89-L100 HydrophobicContact CD2-CB 4.45Å; W89-L100 HydrophobicContact CD2-CD1 4.1Å; W89-L100 HydrophobicContact CG-CD1 3.74Å; W89-L103 HydrophobicContact CD2-CD1 4.22Å; W89-L103 HydrophobicContact CE3-CD1 3.38Å; W89-L103 HydrophobicContact CZ3-CD1 3.77Å; W89-L114 HydrophobicContact CB-CD1 4.09Å; W89-A115 PolarHBondContact N-O 3.01Å; W89-I116 HydrophobicContact CB-CG1 4.37Å; W89-I116 CarbonylContact O-C 3.6Å; W89-I116 WeakPolarHBondContact O-CA 3.36Å; W89-L117 PolarHBondContact O-N 3.14Å
90V98.2Very high95.6Very high1 Ų136.4 Ų36.41%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-88.8120.5178.9-172.70000110V21 V22 G23 A27 K29 I32 I88 N119V21-V90 HydrophobicContact CG1-CG2 3.81Å; V22-V90 PolarHBondContact O-N 3.13Å; G23-V90 WeakPolarHBondContact CA-O 3.45Å; A27-V90 HydrophobicContact CB-CB 4.37Å; A27-V90 HydrophobicContact CB-CG1 4.02Å; A27-V90 WeakPolarHBondContact O-CG1 3.11Å; K29-V90 HydrophobicContact CG-CB 3.86Å; K29-V90 HydrophobicContact CG-CG1 4.43Å; K29-V90 HydrophobicContact CG-CG2 3.81Å; I32-V90 HydrophobicContact CD1-CG1 3.68Å; I32-V90 HydrophobicContact CD1-CG2 4.05Å; I88-V90 HydrophobicContact CG2-CG2 3.95Å; V90-N119 HydrophobicContact CG1-CB 3.85Å
91V98.4Very high95.4Very high5 Ų540.7 Ų40.73%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-103.7131.5178-177.10000108.4W89 S93 V96 I116 L117 N119 I132 L136W89-V91 VanDerWaalsContact CD1-CG2 3.47Å; V91-S93 PolarHBondContact O-N 2.8Å; V91-V96 HydrophobicContact CG1-CB 4.47Å; V91-V96 HydrophobicContact CG1-CG1 4.07Å; V91-V96 HydrophobicContact CG1-CG2 4.04Å; V91-I116 HydrophobicContact CG2-CG2 3.78Å; V91-L117 PolarHBondContact N-O 3.11Å; V91-N119 WeakPolarHBondContact O-CB 3.32Å; V91-N119 PolarHBondContact O-N 2.89Å; V91-I132 HydrophobicContact CG1-CD1 4.25Å; V91-I132 HydrophobicContact CG1-CG1 4.45Å; V91-I132 HydrophobicContact CG1-CG2 4.21Å; V91-I132 HydrophobicContact CG2-CG2 4.46Å; V91-L136 HydrophobicContact CG2-CD1 3.62Å
92D97.8Very high95.2Very high8 Ų843.7 Ų43.74%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-76.7111.5165-166.6-20.2000108.7A27 T94 Y95 V96 K120A27-D92 HydrophobicContact CB-CB 4.4Å; D92-T94 PolarHBondContact O-N 3.44Å; D92-T94 VanDerWaalsContact O-N 3.16Å; D92-T94 PolarHBondContact OD1-N 2.84Å; D92-T94 VanDerWaalsContact OD1-N 3.08Å; D92-T94 PolarHBondContact OD1-OG1 3.29Å; D92-T94 VanDerWaalsContact OD1-OG1 3.08Å; D92-Y95 CarbonylContact O-C 3.22Å; D92-Y95 VanDerWaalsContact O-C 3.22Å; D92-Y95 PolarHBondContact O-N 3.03Å; D92-Y95 VanDerWaalsContact O-N 3.1Å; D92-V96 WeakPolarHBondContact O-CG2 3.11Å; D92-K120 WeakPolarHBondContact OD1-CD 3.38Å; D92-K120 IonicContact OD1-NZ 2.85Å; D92-K120 WeakPolarHBondContact OD2-CE 3.37Å; D92-K120 IonicContact OD2-NZ 3.71Å; D92-K120 PolarHBondContact OD2-NZ 3.39Å
93S98.5Very high95.1Very high0 Ų038.4 Ų38.40%018%0.182CC..THydrogen-bonded Turntrans-68.8-10.6-178.1-540000112.9V91 A118 N119 Q121 A126 V127V91-S93 PolarHBondContact O-N 2.8Å; S93-A118 VanDerWaalsContact OG-C 3.25Å; S93-A118 PolarHBondContact OG-O 3.17Å; S93-N119 WeakPolarHBondContact CB-O 3.5Å; S93-N119 PolarHBondContact N-O 2.85Å; S93-N119 PolarHBondContact OG-O 3.26Å; S93-Q121 VanDerWaalsContact CB-NE2 3.29Å; S93-Q121 PolarHBondContact OG-NE2 2.78Å; S93-A126 WeakPolarHBondContact O-CA 3.36Å; S93-V127 VanDerWaalsContact O-CG2 3.27Å; S93-V127 WeakPolarHBondContact O-CG2 3.27Å; S93-V127 PolarHBondContact O-N 3.44Å
94T97.6Very high95.2Very high45 Ų4533.9 Ų33.928%0.27616%0.162SC..THydrogen-bonded Turntrans-96-13.8173.7760000112.7D92 L123 D125 A126D92-T94 PolarHBondContact O-N 3.44Å; D92-T94 VanDerWaalsContact O-N 3.16Å; D92-T94 PolarHBondContact OD1-N 2.84Å; D92-T94 VanDerWaalsContact OD1-N 3.08Å; D92-T94 PolarHBondContact OD1-OG1 3.29Å; D92-T94 VanDerWaalsContact OD1-OG1 3.08Å; T94-L123 HydrophobicContact CG2-CB 3.88Å; T94-L123 HydrophobicContact CG2-CD1 3.74Å; T94-L123 HydrophobicContact CG2-CG 4.41Å; T94-D125 WeakPolarHBondContact CG2-OD1 3.43Å; T94-A126 HydrophobicContact CG2-CB 4.46Å
95Y96Very high94.9Very high154 Ų15438.4 Ų38.460%0.60419%0.19SC*.SBendtrans-146.884.7179.1-172.1-104.9000111.6D92 E97D92-Y95 CarbonylContact O-C 3.22Å; D92-Y95 VanDerWaalsContact O-C 3.22Å; D92-Y95 PolarHBondContact O-N 3.03Å; D92-Y95 VanDerWaalsContact O-N 3.1Å; Y95-E97 HydrophobicContact CE1-CB 4.43Å; Y95-E97 PolarHBondContact O-N 3.4Å
96V95.2Very high94.8Very high43 Ų4336.8 Ų36.826%0.26118%0.18SC..  trans-88.5110-175.7-173.30000110.7V91 D92 V127 I132 A135 L136V91-V96 HydrophobicContact CG1-CB 4.47Å; V91-V96 HydrophobicContact CG1-CG1 4.07Å; V91-V96 HydrophobicContact CG1-CG2 4.04Å; D92-V96 WeakPolarHBondContact O-CG2 3.11Å; V96-V127 HydrophobicContact CG2-CG2 3.67Å; V96-I132 HydrophobicContact CG2-CG1 3.86Å; V96-A135 HydrophobicContact CG1-CB 3.78Å; V96-L136 HydrophobicContact CG1-CD2 4.13Å; V96-L136 HydrophobicContact CG1-CG 4.34Å
97E92.7Very high94.6Very high66 Ų6644.7 Ų44.731%0.30822%0.218SC..  trans-115.3132.9170.5172.7-163.417300110.1L24 R74 Y95 L99L24-E97 HydrophobicContact CD1-CB 3.62Å; L24-E97 HydrophobicContact CD1-CG 4.43Å; L24-E97 WeakPolarHBondContact CD2-OE2 3.49Å; R74-E97 IonicContact NH1-OE1 3.43Å; Y95-E97 HydrophobicContact CE1-CB 4.43Å; Y95-E97 PolarHBondContact O-N 3.4Å; E97-L99 HydrophobicContact CG-CD2 4.49Å; E97-L99 HydrophobicContact CG-CG 4.11Å; E97-L99 PolarHBondContact O-N 2.85Å; E97-L99 VanDerWaalsContact O-N 3.11Å; E97-L99 WeakPolarHBondContact OE1-CD1 3.37Å
98N89.8Confident94.4Very high45 Ų4549.1 Ų49.124%0.24123%0.234CC..  trans-85.882.4-175.3-171.6-6.3000112.3A135 L136N98-A135 PolarHBondContact ND2-O 3.35Å; N98-L136 HydrophobicContact CB-CD2 4Å; N98-L136 WeakPolarHBondContact ND2-CA 3.39Å; N98-L136 PolarHBondContact ND2-O 2.99Å
99L91.5Very high94.2Very high28 Ų2849.1 Ų49.115%0.14723%0.234CC..  trans-105.9-0.7168.8-62.4-172.4000114.1L24 W89 E97 R101 I102L24-L99 HydrophobicContact CD2-CB 4.48Å; L24-L99 HydrophobicContact CD2-CD1 3.4Å; L24-L99 HydrophobicContact CD2-CG 4.05Å; W89-L99 HydrophobicContact CH2-CB 3.92Å; W89-L99 HydrophobicContact CZ2-CB 4.17Å; E97-L99 HydrophobicContact CG-CD2 4.49Å; E97-L99 HydrophobicContact CG-CG 4.11Å; E97-L99 PolarHBondContact O-N 2.85Å; E97-L99 VanDerWaalsContact O-N 3.11Å; E97-L99 WeakPolarHBondContact OE1-CD1 3.37Å; L99-R101 PolarHBondContact O-N 3.15Å; L99-R101 VanDerWaalsContact O-N 3.13Å; L99-I102 HydrophobicContact CB-CD1 4.24Å; L99-I102 HydrophobicContact CD2-CD1 4.07Å; L99-I102 WeakPolarHBondContact O-CB 3.38Å; L99-I102 PolarHBondContact O-N 2.93Å
100L94Very high93.7Very high1 Ų153.2 Ų53.21%0.00526%0.255CS..Hα-helixtrans-55.4-33.5179176.758.3000111.8W89 I102 L103 L104 L114 I116 L136 L138 I141W89-L100 HydrophobicContact CB-CD1 3.97Å; W89-L100 HydrophobicContact CD2-CB 4.45Å; W89-L100 HydrophobicContact CD2-CD1 4.1Å; W89-L100 HydrophobicContact CG-CD1 3.74Å; L100-I102 PolarHBondContact O-N 2.98Å; L100-I102 VanDerWaalsContact O-N 3.14Å; L100-L103 HydrophobicContact CD1-CD1 4.18Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.26Å; L100-L104 HydrophobicContact CD1-CG 4.45Å; L100-L104 HydrophobicContact CD2-CD1 4.41Å; L100-L104 HydrophobicContact CG-CD1 4Å; L100-L104 HydrophobicContact CG-CG 4.17Å; L100-L104 PolarHBondContact O-N 3.35Å; L100-L114 HydrophobicContact CD1-CD1 4.03Å; L100-L114 HydrophobicContact CD1-CD2 4.09Å; L100-L114 HydrophobicContact CD2-CD2 4.35Å; L100-I116 HydrophobicContact CD2-CD1 4.11Å; L100-I116 HydrophobicContact CD2-CG1 4.48Å; L100-L136 HydrophobicContact CD2-CD1 4.46Å; L100-L138 HydrophobicContact CD2-CD2 3.76Å; L100-I141 HydrophobicContact CD2-CD1 4.08Å
101R90.7Very high93Very high120 Ų12058.7 Ų58.745%0.45329%0.293SS..Hα-helixtrans-55-31.1177-70.8179.1164.5-131.3-2.7114.1L99 L103 L104 T105L99-R101 PolarHBondContact O-N 3.15Å; L99-R101 VanDerWaalsContact O-N 3.13Å; R101-L103 PolarHBondContact O-N 3.46Å; R101-L104 PolarHBondContact O-N 3.25Å; R101-T105 WeakPolarHBondContact O-CG2 3.38Å; R101-T105 PolarHBondContact O-N 2.97Å; R101-T105 PolarHBondContact O-OG1 2.85Å
102I90.3Very high92.8Very high65 Ų6558.6 Ų58.633%0.33329%0.293SS..Hα-helixtrans-61.9-34.4177.3-62.1174.8000110.5L99 L100 T105 E106L99-I102 HydrophobicContact CB-CD1 4.24Å; L99-I102 HydrophobicContact CD2-CD1 4.07Å; L99-I102 WeakPolarHBondContact O-CB 3.38Å; L99-I102 PolarHBondContact O-N 2.93Å; L100-I102 PolarHBondContact O-N 2.98Å; L100-I102 VanDerWaalsContact O-N 3.14Å; I102-T105 PolarHBondContact O-OG1 2.59Å; I102-T105 VanDerWaalsContact O-OG1 3.11Å; I102-E106 VanDerWaalsContact O-CG 3.29Å; I102-E106 WeakPolarHBondContact O-CG 3.07Å
103L92.7Very high92.8Very high5 Ų558.4 Ų58.43%0.02629%0.292CS..Hα-helixtrans-79.7-40.2179-55175.5000111.3V22 W77 F81 V87 W89 L100 R101 T105 E106 L109V22-L103 HydrophobicContact CB-CD1 4.39Å; V22-L103 HydrophobicContact CG2-CD1 3.52Å; V22-L103 HydrophobicContact CG2-CD2 4.43Å; W77-L103 HydrophobicContact CE3-CD2 4.07Å; F81-L103 HydrophobicContact CE1-CD2 3.87Å; F81-L103 HydrophobicContact CZ-CD2 3.6Å; V87-L103 HydrophobicContact CG1-CD1 4.05Å; W89-L103 HydrophobicContact CD2-CD1 4.22Å; W89-L103 HydrophobicContact CE3-CD1 3.38Å; W89-L103 HydrophobicContact CZ3-CD1 3.77Å; L100-L103 HydrophobicContact CD1-CD1 4.18Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.26Å; R101-L103 PolarHBondContact O-N 3.46Å; L103-T105 PolarHBondContact O-N 2.7Å; L103-E106 WeakPolarHBondContact O-CB 3.37Å; L103-E106 PolarHBondContact O-N 2.56Å; L103-E106 VanDerWaalsContact O-N 3.11Å; L103-L109 HydrophobicContact CB-CD1 4.13Å; L103-L109 HydrophobicContact CD2-CD1 4.35Å
104L91.8Very high92.7Very high50 Ų5058.6 Ų58.626%0.26229%0.293SS..Hα-helixtrans-66.2-19.9-178.9-63.8173.1000113.6L100 R101 E106 L114 I141L100-L104 HydrophobicContact CD1-CG 4.45Å; L100-L104 HydrophobicContact CD2-CD1 4.41Å; L100-L104 HydrophobicContact CG-CD1 4Å; L100-L104 HydrophobicContact CG-CG 4.17Å; L100-L104 PolarHBondContact O-N 3.35Å; R101-L104 PolarHBondContact O-N 3.25Å; L104-E106 VanDerWaalsContact C-N 3.33Å; L104-L114 HydrophobicContact CD2-CD2 3.79Å; L104-I141 HydrophobicContact CD1-CD1 4.43Å; L104-I141 HydrophobicContact CD1-CG1 3.77Å; L104-I141 HydrophobicContact CD2-CG1 4.33Å; L104-I141 HydrophobicContact CD2-CG2 4.07Å
105T91Very high92.7Very high104 Ų10456.5 Ų56.564%0.63828%0.28SS*.THydrogen-bonded Turntrans-86.9-2.8176.253.10000113.6R101 I102 L103R101-T105 WeakPolarHBondContact O-CG2 3.38Å; R101-T105 PolarHBondContact O-N 2.97Å; R101-T105 PolarHBondContact O-OG1 2.85Å; I102-T105 PolarHBondContact O-OG1 2.59Å; I102-T105 VanDerWaalsContact O-OG1 3.11Å; L103-T105 PolarHBondContact O-N 2.7Å
106E93.7Very high92.8Very high21 Ų2149.1 Ų49.110%0.09825%0.251CS..  trans-91116.3-174.5-63.6-80.8152.200110.2R78 F81 I102 L103 L104 R108 L109R78-E106 IonicContact CZ-OE1 3.17Å; R78-E106 IonicContact NE-OE1 3.06Å; R78-E106 PolarHBondContact NE-OE1 2.63Å; R78-E106 IonicContact NE-OE2 3.74Å; R78-E106 IonicContact NH2-OE1 3.23Å; R78-E106 PolarHBondContact NH2-OE1 3.16Å; F81-E106 HydrophobicContact CD2-CB 3.96Å; F81-E106 HydrophobicContact CD2-CG 3.81Å; F81-E106 WeakPolarHBondContact CD2-OE2 2.98Å; F81-E106 HydrophobicContact CE2-CB 4.08Å; F81-E106 HydrophobicContact CE2-CG 3.43Å; F81-E106 VanDerWaalsContact CE2-CG 3.43Å; F81-E106 HydrophobicContact CZ-CG 4.42Å; I102-E106 VanDerWaalsContact O-CG 3.29Å; I102-E106 WeakPolarHBondContact O-CG 3.07Å; L103-E106 WeakPolarHBondContact O-CB 3.37Å; L103-E106 PolarHBondContact O-N 2.56Å; L103-E106 VanDerWaalsContact O-N 3.11Å; L104-E106 VanDerWaalsContact C-N 3.33Å; E106-R108 PolarHBondContact O-N 3.08Å; E106-R108 VanDerWaalsContact O-N 3.13Å; E106-R108 IonicContact OE2-NH2 3.64Å; E106-R108 PolarHBondContact OE2-NH2 3.38Å; E106-R108 VanDerWaalsContact OE2-NH2 3.09Å; E106-L109 HydrophobicContact CB-CB 4.41Å; E106-L109 HydrophobicContact CB-CD1 4.13Å; E106-L109 HydrophobicContact CB-CG 4.19Å; E106-L109 PolarHBondContact O-N 3.49Å
107E91.8Very high93Very high167 Ų16747.2 Ų47.278%0.7824%0.24SC*.G310 helixtrans-54.9-36.6-176.9-66.5-179.117100112.8L109 I110E107-L109 PolarHBondContact O-N 2.99Å; E107-L109 VanDerWaalsContact O-N 3.13Å; E107-I110 HydrophobicContact CB-CD1 4.23Å; E107-I110 HydrophobicContact CG-CD1 4.26Å; E107-I110 PolarHBondContact O-N 3.15Å
108R93.8Very high93.3Very high97 Ų9744.1 Ų44.137%0.36623%0.225SC..G310 helixtrans-64.5-14.1177.8-67.3171.1-70.21655.9114.1R78 F81 E82 E106R78-R108 PolarHBondContact O-NH1 3.44Å; R78-R108 PolarHBondContact O-NH2 3.47Å; F81-R108 HydrophobicContact CB-CB 4.08Å; E82-R108 WeakPolarHBondContact OE2-CD 3.4Å; E106-R108 PolarHBondContact O-N 3.08Å; E106-R108 VanDerWaalsContact O-N 3.13Å; E106-R108 IonicContact OE2-NH2 3.64Å; E106-R108 PolarHBondContact OE2-NH2 3.38Å; E106-R108 VanDerWaalsContact OE2-NH2 3.09Å
109L94.7Very high93.7Very high5 Ų542.2 Ų42.23%0.02622%0.215CC..G310 helixtrans-110.1-3.2-179.4-60.9-179.6000113.2F81 T84 V87 L103 E106 E107 S111 S112 N144F81-L109 HydrophobicContact CB-CD2 3.89Å; F81-L109 HydrophobicContact CB-CG 4.1Å; F81-L109 HydrophobicContact CD1-CD1 3.88Å; F81-L109 HydrophobicContact CD1-CD2 4.26Å; F81-L109 HydrophobicContact CD1-CG 4.37Å; F81-L109 HydrophobicContact CD2-CD1 4.06Å; F81-L109 HydrophobicContact CD2-CG 4.33Å; F81-L109 HydrophobicContact CE1-CD1 4.05Å; F81-L109 HydrophobicContact CE2-CD1 4.25Å; F81-L109 HydrophobicContact CG-CD1 3.9Å; F81-L109 HydrophobicContact CG-CD2 4.13Å; F81-L109 HydrophobicContact CG-CG 4.03Å; F81-L109 HydrophobicContact CZ-CD1 4.25Å; T84-L109 HydrophobicContact CG2-CD2 4.16Å; V87-L109 HydrophobicContact CG2-CD1 4.04Å; V87-L109 HydrophobicContact CG2-CD2 3.68Å; V87-L109 HydrophobicContact CG2-CG 4.34Å; L103-L109 HydrophobicContact CB-CD1 4.13Å; L103-L109 HydrophobicContact CD2-CD1 4.35Å; E106-L109 HydrophobicContact CB-CB 4.41Å; E106-L109 HydrophobicContact CB-CD1 4.13Å; E106-L109 HydrophobicContact CB-CG 4.19Å; E106-L109 PolarHBondContact O-N 3.49Å; E107-L109 PolarHBondContact O-N 2.99Å; E107-L109 VanDerWaalsContact O-N 3.13Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.28Å; L109-S112 WeakPolarHBondContact O-CB 3.46Å; L109-S112 PolarHBondContact O-N 3.21Å; L109-S112 PolarHBondContact O-OG 2.96Å; L109-N144 PolarHBondContact O-ND2 2.58Å
110I86.7Confident93.9Very high87 Ų8742.4 Ų42.445%0.44621%0.214SC..THydrogen-bonded Turntrans-56.7-39-173-71.8173.6000112.8E107 G143 N144E107-I110 HydrophobicContact CB-CD1 4.23Å; E107-I110 HydrophobicContact CG-CD1 4.26Å; E107-I110 PolarHBondContact O-N 3.15Å; I110-G143 CarbonylContact O-C 3.6Å; I110-N144 PolarHBondContact O-ND2 2.94Å
111S85.4Confident94.1Very high116 Ų11645 Ų4581%0.81123%0.227SC*.THydrogen-bonded Turntrans-96.25.1-178.6640000113.9L109L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.28Å
112S94.1Very high94.3Very high4 Ų442.1 Ų42.13%0.02822%0.22CC..SBendtrans-80.2146.7179.268.10000111.2N85 L109 N144N85-S112 WeakPolarHBondContact O-CA 3.49Å; N85-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 WeakPolarHBondContact O-CB 3.46Å; L109-S112 PolarHBondContact O-N 3.21Å; L109-S112 PolarHBondContact O-OG 2.96Å; S112-N144 PolarHBondContact O-ND2 3.02Å
113T96.5Very high94.6Very high4 Ų442.3 Ų42.33%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-62.6140.3165-58.20000109N85 C86 V87 W165 L166 D169N85-T113 PolarHBondContact O-N 3.41Å; C86-T113 CarbonylContact C-O 3.6Å; C86-T113 VanDerWaalsContact CA-O 3.22Å; C86-T113 WeakPolarHBondContact CA-O 3.49Å; C86-T113 HydrophobicContact CB-CG2 4.48Å; V87-T113 PolarHBondContact N-O 3.43Å; T113-W165 HydrophobicContact CG2-CH2 3.68Å; T113-W165 HydrophobicContact CG2-CZ3 3.72Å; T113-L166 HydrophobicContact CG2-CB 4.37Å; T113-D169 WeakPolarHBondContact CB-OD2 3.48Å; T113-D169 HydrophobicContact CG2-CB 4.15Å; T113-D169 WeakPolarHBondContact CG2-OD2 3.39Å; T113-D169 PolarHBondContact OG1-OD2 3.05Å
114L97.3Very high94.7Very high4 Ų446.5 Ų46.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-117.3103.7175.4173.563.3000110.4V87 W89 L100 L104 I116 I141 N144 H145 W146 L147V87-L114 HydrophobicContact CB-CD1 4.17Å; V87-L114 HydrophobicContact CG1-CD1 4.12Å; V87-L114 WeakPolarHBondContact O-CA 3.42Å; W89-L114 HydrophobicContact CB-CD1 4.09Å; L100-L114 HydrophobicContact CD1-CD1 4.03Å; L100-L114 HydrophobicContact CD1-CD2 4.09Å; L100-L114 HydrophobicContact CD2-CD2 4.35Å; L104-L114 HydrophobicContact CD2-CD2 3.79Å; L114-I116 HydrophobicContact CD1-CG1 4.37Å; L114-I116 HydrophobicContact CD2-CD1 4.38Å; L114-I116 HydrophobicContact CG-CD1 4.45Å; L114-I116 HydrophobicContact CG-CG1 4.14Å; L114-I141 HydrophobicContact CD2-CD1 3.94Å; L114-N144 HydrophobicContact CB-CB 4.16Å; L114-H145 PolarHBondContact N-O 3.29Å; L114-W146 HydrophobicContact CB-CB 3.88Å; L114-W146 HydrophobicContact CD2-CB 4.2Å; L114-W146 HydrophobicContact CG-CB 4.15Å; L114-W146 WeakPolarHBondContact O-CA 3.16Å; L114-W146 VanDerWaalsContact O-CB 3.27Å; L114-W146 WeakPolarHBondContact O-CB 3.3Å; L114-L147 PolarHBondContact O-N 3.33Å
115A97.9Very high94.9Very high0 Ų049.2 Ų49.20%028%0.281CS..EExtended strand (participates in β ladder)trans-92.2121.4171.300000109.6V87 I88 W89 W165 L166V87-A115 PolarHBondContact O-N 2.83Å; I88-A115 CarbonylContact C-O 3.56Å; I88-A115 VanDerWaalsContact CA-O 3.27Å; I88-A115 WeakPolarHBondContact CA-O 3.44Å; I88-A115 HydrophobicContact CG1-CB 4.21Å; W89-A115 PolarHBondContact N-O 3.01Å; A115-W165 HydrophobicContact CB-CE3 4.42Å; A115-W165 HydrophobicContact CB-CZ3 3.92Å; A115-L166 HydrophobicContact CB-CB 4.36Å; A115-L166 HydrophobicContact CB-CD2 4.03Å
116I98.2Very high95.2Very high0 Ų045.5 Ų45.50%026%0.261CS..EExtended strand (participates in β ladder)trans-101.5115.9175.1-61.1155.2000107.8W89 V91 L100 L114 L136 L138 I141 W146 L147 C148 F149W89-I116 HydrophobicContact CB-CG1 4.37Å; W89-I116 CarbonylContact O-C 3.6Å; W89-I116 WeakPolarHBondContact O-CA 3.36Å; V91-I116 HydrophobicContact CG2-CG2 3.78Å; L100-I116 HydrophobicContact CD2-CD1 4.11Å; L100-I116 HydrophobicContact CD2-CG1 4.48Å; L114-I116 HydrophobicContact CD1-CG1 4.37Å; L114-I116 HydrophobicContact CD2-CD1 4.38Å; L114-I116 HydrophobicContact CG-CD1 4.45Å; L114-I116 HydrophobicContact CG-CG1 4.14Å; I116-L136 HydrophobicContact CG2-CD1 4.36Å; I116-L138 HydrophobicContact CD1-CD1 3.82Å; I116-L138 HydrophobicContact CD1-CD2 3.46Å; I116-L138 VanDerWaalsContact CD1-CD2 3.46Å; I116-L138 HydrophobicContact CD1-CG 4.27Å; I116-I141 HydrophobicContact CD1-CD1 4.29Å; I116-W146 HydrophobicContact CD1-CE3 4.03Å; I116-L147 PolarHBondContact N-O 2.51Å; I116-C148 HydrophobicContact CB-CB 4.11Å; I116-C148 HydrophobicContact CG2-CB 4.36Å; I116-C148 CarbonylContact O-C 3.57Å; I116-C148 WeakPolarHBondContact O-CA 3.4Å; I116-F149 PolarHBondContact O-N 3.14Å
117L98.2Very high95.5Very high3 Ų346.8 Ų46.82%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-100.5103.1176.5-63.6-173.6000108.9I32 I88 W89 V91 N119 F149 L159I32-L117 HydrophobicContact CD1-CB 4.5Å; I32-L117 HydrophobicContact CD1-CD1 4.06Å; I32-L117 HydrophobicContact CG2-CD1 4.27Å; I88-L117 HydrophobicContact CG2-CB 4.47Å; I88-L117 HydrophobicContact CG2-CD1 3.53Å; I88-L117 HydrophobicContact CG2-CG 3.73Å; W89-L117 PolarHBondContact O-N 3.14Å; V91-L117 PolarHBondContact N-O 3.11Å; L117-N119 VanDerWaalsContact C-N 3.29Å; L117-N119 PolarHBondContact O-N 2.84Å; L117-F149 HydrophobicContact CD2-CB 4.02Å; L117-F149 HydrophobicContact CD2-CD2 4.47Å; L117-L159 HydrophobicContact CD1-CD2 4.11Å
118A98.3Very high95.7Very high0 Ų041.2 Ų41.20%025%0.249CC..EExtended strand (participates in β ladder)trans-75.584.6170.700000109S93 Q121 I129 I132 F149 C151S93-A118 VanDerWaalsContact OG-C 3.25Å; S93-A118 PolarHBondContact OG-O 3.17Å; A118-Q121 WeakPolarHBondContact O-CG 3.43Å; A118-I129 HydrophobicContact CB-CD1 3.28Å; A118-I132 HydrophobicContact CB-CD1 3.41Å; A118-I132 VanDerWaalsContact CB-CD1 3.41Å; A118-F149 WeakPolarHBondContact CB-O 3.25Å; A118-F149 PolarHBondContact N-O 2.91Å; A118-C151 PolarHBondContact O-N 2.97Å
119N98.2Very high95.9Very high5 Ų538.3 Ų38.33%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-82.9163.8-171.2-172.137.8000112.4A27 I32 V90 V91 S93 L117 C151 G153A27-N119 PolarHBondContact O-ND2 3.17Å; I32-N119 HydrophobicContact CD1-CB 4.07Å; V90-N119 HydrophobicContact CG1-CB 3.85Å; V91-N119 WeakPolarHBondContact O-CB 3.32Å; V91-N119 PolarHBondContact O-N 2.89Å; S93-N119 WeakPolarHBondContact CB-O 3.5Å; S93-N119 PolarHBondContact N-O 2.85Å; S93-N119 PolarHBondContact OG-O 3.26Å; L117-N119 VanDerWaalsContact C-N 3.29Å; L117-N119 PolarHBondContact O-N 2.84Å; N119-C151 CarbonylContact C-O 3.47Å; N119-C151 WeakPolarHBondContact CA-O 3.38Å; N119-G153 PolarHBondContact OD1-N 2.83Å
120K97.3Very high96.1Very high32 Ų3244.9 Ų44.914%0.13927%0.271CS..  trans67.731.3179.8-45.9-168.4-166.61690114.2N26 D92 D122 L123 A126 C151N26-K120 PolarHBondContact ND2-NZ 3.17Å; N26-K120 WeakPolarHBondContact O-CE 3.13Å; N26-K120 PolarHBondContact O-NZ 3.09Å; D92-K120 WeakPolarHBondContact OD1-CD 3.38Å; D92-K120 IonicContact OD1-NZ 2.85Å; D92-K120 WeakPolarHBondContact OD2-CE 3.37Å; D92-K120 IonicContact OD2-NZ 3.71Å; D92-K120 PolarHBondContact OD2-NZ 3.39Å; K120-D122 WeakPolarHBondContact CA-OD1 3.39Å; K120-D122 PolarHBondContact O-N 3.06Å; K120-D122 VanDerWaalsContact O-N 3.17Å; K120-L123 HydrophobicContact CB-CD1 3.83Å; K120-L123 HydrophobicContact CB-CG 4.07Å; K120-L123 HydrophobicContact CD-CD1 3.84Å; K120-L123 HydrophobicContact CG-CD1 4.42Å; K120-L123 WeakPolarHBondContact O-CB 3.37Å; K120-L123 PolarHBondContact O-N 3.43Å; K120-L123 VanDerWaalsContact O-N 3.09Å; K120-A126 WeakPolarHBondContact O-CB 3.46Å; K120-C151 PolarHBondContact N-O 2.98Å
121Q97.5Very high96.6Very high56 Ų5644 Ų4426%0.26227%0.27SS..THydrogen-bonded Turntrans-66.3-10.3175.3-68.3-74.6-29.400113.2S93 A118 L123 V127 P150 C151S93-Q121 VanDerWaalsContact CB-NE2 3.29Å; S93-Q121 PolarHBondContact OG-NE2 2.78Å; A118-Q121 WeakPolarHBondContact O-CG 3.43Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-V127 PolarHBondContact NE2-O 2.66Å; Q121-V127 VanDerWaalsContact NE2-O 3.1Å; Q121-P150 HydrophobicContact CG-CB 3.9Å; Q121-C151 PolarHBondContact N-O 3.48Å
122D95.7Very high97.2Very high60 Ų6038.5 Ų38.532%0.32123%0.232SC..THydrogen-bonded Turntrans-74.2-14.3170.658.5-70.3000113.9K120 S152 I155K120-D122 WeakPolarHBondContact CA-OD1 3.39Å; K120-D122 PolarHBondContact O-N 3.06Å; K120-D122 VanDerWaalsContact O-N 3.17Å; D122-S152 VanDerWaalsContact CG-OG 3.24Å; D122-S152 WeakPolarHBondContact OD1-CB 3.2Å; D122-S152 PolarHBondContact OD1-OG 2.84Å; D122-I155 HydrophobicContact CB-CD1 4.3Å
123L96.6Very high97.4Very high69 Ų6940.7 Ų40.736%0.36124%0.241SC..SBendtrans-86.3139.7-179.9-58-175.5000111.3T94 K120 Q121 D125 A126T94-L123 HydrophobicContact CG2-CB 3.88Å; T94-L123 HydrophobicContact CG2-CD1 3.74Å; T94-L123 HydrophobicContact CG2-CG 4.41Å; K120-L123 HydrophobicContact CB-CD1 3.83Å; K120-L123 HydrophobicContact CB-CG 4.07Å; K120-L123 HydrophobicContact CD-CD1 3.84Å; K120-L123 HydrophobicContact CG-CD1 4.42Å; K120-L123 WeakPolarHBondContact O-CB 3.37Å; K120-L123 PolarHBondContact O-N 3.43Å; K120-L123 VanDerWaalsContact O-N 3.09Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; L123-D125 PolarHBondContact O-N 2.92Å; L123-A126 WeakPolarHBondContact O-CB 3.38Å; L123-A126 PolarHBondContact O-N 3.22Å
124G94.3Very high97.4Very high93 Ų9343.6 Ų43.696%0.95927%0.266SS*.THydrogen-bonded Turntrans-67.1-18.7-173.700000115.4
125D96Very high97.4Very high107 Ų10745.4 Ų45.457%0.57228%0.281SS*.THydrogen-bonded Turntrans-98.67.5175.761.7-26.6000113.2T94 L123 V127T94-D125 WeakPolarHBondContact CG2-OD1 3.43Å; L123-D125 PolarHBondContact O-N 2.92Å; D125-V127 PolarHBondContact O-N 2.86Å
126A98Very high97.3Very high26 Ų2645.6 Ų45.622%0.21528%0.282CS..PPolyproline II helixtrans-63.7130175.100000111.3S93 T94 K120 L123S93-A126 WeakPolarHBondContact O-CA 3.36Å; T94-A126 HydrophobicContact CG2-CB 4.46Å; K120-A126 WeakPolarHBondContact O-CB 3.46Å; L123-A126 WeakPolarHBondContact O-CB 3.38Å; L123-A126 PolarHBondContact O-N 3.22Å
127V98.3Very high97.2Very high47 Ų4748.6 Ų48.629%0.28530%0.296SS..PPolyproline II helixtrans-80.1154.5174.6-59.90000111.6S93 V96 Q121 D125 T131 I132S93-V127 VanDerWaalsContact O-CG2 3.27Å; S93-V127 WeakPolarHBondContact O-CG2 3.27Å; S93-V127 PolarHBondContact O-N 3.44Å; V96-V127 HydrophobicContact CG2-CG2 3.67Å; Q121-V127 PolarHBondContact NE2-O 2.66Å; Q121-V127 VanDerWaalsContact NE2-O 3.1Å; D125-V127 PolarHBondContact O-N 2.86Å; V127-T131 HydrophobicContact CB-CG2 3.92Å; V127-T131 HydrophobicContact CG1-CG2 4.24Å; V127-T131 HydrophobicContact CG2-CG2 4.04Å; V127-I132 HydrophobicContact CG2-CD1 4.18Å; V127-I132 HydrophobicContact CG2-CG1 3.69Å
128S97.5Very high97.1Very high50 Ų5048.5 Ų48.535%0.3530%0.296SS..PPolyproline II helixtrans-67.2159.2177.5700000113Q130 T131 I132S128-Q130 PolarHBondContact O-N 3.5Å; S128-Q130 PolarHBondContact OG-OE1 2.99Å; S128-T131 WeakPolarHBondContact O-CB 3.34Å; S128-T131 PolarHBondContact O-N 3.21Å; S128-T131 PolarHBondContact OG-N 3.16Å; S128-T131 PolarHBondContact OG-OG1 3.07Å; S128-T131 VanDerWaalsContact OG-OG1 3.09Å; S128-I132 PolarHBondContact O-N 3.05Å
129I97.5Very high97Very high37 Ų3753.6 Ų53.619%0.1932%0.323CS..Hα-helixtrans-57.4-35174-60.5-53.6000112.1A118 T131 I132 H133 C148 P150A118-I129 HydrophobicContact CB-CD1 3.28Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 3.03Å; I129-I132 HydrophobicContact CD1-CD1 4.37Å; I129-I132 PolarHBondContact O-N 3.25Å; I129-H133 WeakPolarHBondContact O-CB 3.37Å; I129-H133 PolarHBondContact O-N 2.89Å; I129-C148 HydrophobicContact CG2-CB 4.44Å; I129-P150 HydrophobicContact CD1-CB 3.78Å; I129-P150 HydrophobicContact CD1-CG 4.34Å; I129-P150 HydrophobicContact CG1-CB 3.95Å; I129-P150 HydrophobicContact CG1-CG 4.13Å
130Q97.6Very high96.7Very high142 Ų14259.6 Ų59.666%0.66435%0.349SS*.Hα-helixtrans-63.9-38.5176.6-63.976.115.800111.4S128 H133 A134S128-Q130 PolarHBondContact O-N 3.5Å; S128-Q130 PolarHBondContact OG-OE1 2.99Å; Q130-H133 PolarHBondContact O-N 3.48Å; Q130-A134 PolarHBondContact O-N 2.82Å
131T97.9Very high96.5Very high70 Ų7058.5 Ų58.543%0.42934%0.344SS..Hα-helixtrans-67.1-44.8175.7-55.40000110.9V127 S128 I129 H133 A134 A135V127-T131 HydrophobicContact CB-CG2 3.92Å; V127-T131 HydrophobicContact CG1-CG2 4.24Å; V127-T131 HydrophobicContact CG2-CG2 4.04Å; S128-T131 WeakPolarHBondContact O-CB 3.34Å; S128-T131 PolarHBondContact O-N 3.21Å; S128-T131 PolarHBondContact OG-N 3.16Å; S128-T131 PolarHBondContact OG-OG1 3.07Å; S128-T131 VanDerWaalsContact OG-OG1 3.09Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 3.03Å; T131-H133 VanDerWaalsContact C-N 3.32Å; T131-H133 PolarHBondContact O-N 3.38Å; T131-A134 PolarHBondContact O-N 3.39Å; T131-A135 VanDerWaalsContact O-CB 3.3Å; T131-A135 WeakPolarHBondContact O-CB 3.21Å; T131-A135 PolarHBondContact O-N 3.29Å
132I98.3Very high96.1Very high0 Ų064.7 Ų64.70%037%0.365CS..Hα-helixtrans-61.7-43175.5-67.3171.7000110.8V91 V96 A118 V127 S128 I129 A134 A135 L136V91-I132 HydrophobicContact CG1-CD1 4.25Å; V91-I132 HydrophobicContact CG1-CG1 4.45Å; V91-I132 HydrophobicContact CG1-CG2 4.21Å; V91-I132 HydrophobicContact CG2-CG2 4.46Å; V96-I132 HydrophobicContact CG2-CG1 3.86Å; A118-I132 HydrophobicContact CB-CD1 3.41Å; A118-I132 VanDerWaalsContact CB-CD1 3.41Å; V127-I132 HydrophobicContact CG2-CD1 4.18Å; V127-I132 HydrophobicContact CG2-CG1 3.69Å; S128-I132 PolarHBondContact O-N 3.05Å; I129-I132 HydrophobicContact CD1-CD1 4.37Å; I129-I132 PolarHBondContact O-N 3.25Å; I132-A134 VanDerWaalsContact C-N 3.34Å; I132-A134 PolarHBondContact O-N 3.12Å; I132-A135 PolarHBondContact O-N 2.83Å; I132-L136 HydrophobicContact CG2-CD1 3.69Å; I132-L136 HydrophobicContact CG2-CG 4.11Å; I132-L136 WeakPolarHBondContact O-CB 3.4Å; I132-L136 WeakPolarHBondContact O-CG 3.3Å; I132-L136 PolarHBondContact O-N 3.2Å
133H97.8Very high95.7Very high49 Ų4964.6 Ų64.623%0.22738%0.378CS..Hα-helixtrans-57.7-47.2178.6-177.1-87.8000111.7I129 Q130 T131 Q137 L138 D139 W146I129-H133 WeakPolarHBondContact O-CB 3.37Å; I129-H133 PolarHBondContact O-N 2.89Å; Q130-H133 PolarHBondContact O-N 3.48Å; T131-H133 VanDerWaalsContact C-N 3.32Å; T131-H133 PolarHBondContact O-N 3.38Å; H133-Q137 WeakPolarHBondContact O-CA 3.49Å; H133-Q137 PolarHBondContact O-N 3.08Å; H133-L138 HydrophobicContact CB-CD1 4.19Å; H133-L138 PolarHBondContact O-N 3.01Å; H133-D139 IonicContact CE1-OD1 3.31Å; H133-D139 PolarHBondContact CE1-OD1 3.15Å; H133-D139 IonicContact CE1-OD2 3.53Å; H133-D139 PolarHBondContact CE1-OD2 3.4Å; H133-D139 IonicContact ND1-OD2 3.78Å; H133-D139 IonicContact NE2-OD1 3.09Å; H133-W146 AromaticContact CD2-CH2 3.83Å; H133-W146 AromaticContact NE2-CH2 3.75Å
134A97.1Very high95.5Very high66 Ų6662.1 Ų62.155%0.54537%0.366SS..Hα-helixtrans-66.2-46.2175.100000112.4Q130 T131 I132 L136 Q137Q130-A134 PolarHBondContact O-N 2.82Å; T131-A134 PolarHBondContact O-N 3.39Å; I132-A134 VanDerWaalsContact C-N 3.34Å; I132-A134 PolarHBondContact O-N 3.12Å; A134-L136 PolarHBondContact O-N 2.9Å; A134-Q137 WeakPolarHBondContact O-CG 3.34Å; A134-Q137 PolarHBondContact O-N 3.19Å; A134-Q137 VanDerWaalsContact O-N 3.16Å
135A96.9Very high95.5Very high42 Ų4262.5 Ų62.535%0.34734%0.342SS..Hα-helixtrans-63.4-43.7-177.200000112.6V96 N98 T131 I132 Q137V96-A135 HydrophobicContact CG1-CB 3.78Å; N98-A135 PolarHBondContact ND2-O 3.35Å; T131-A135 VanDerWaalsContact O-CB 3.3Å; T131-A135 WeakPolarHBondContact O-CB 3.21Å; T131-A135 PolarHBondContact O-N 3.29Å; I132-A135 PolarHBondContact O-N 2.83Å; A135-Q137 VanDerWaalsContact C-N 3.29Å
136L96.7Very high95.5Very high3 Ų360.9 Ų60.92%0.01633%0.328CS..Hα-helixtrans-80.3-13.1176.6-61-174.1000113V91 V96 N98 L100 I116 I132 A134 L138V91-L136 HydrophobicContact CG2-CD1 3.62Å; V96-L136 HydrophobicContact CG1-CD2 4.13Å; V96-L136 HydrophobicContact CG1-CG 4.34Å; N98-L136 HydrophobicContact CB-CD2 4Å; N98-L136 WeakPolarHBondContact ND2-CA 3.39Å; N98-L136 PolarHBondContact ND2-O 2.99Å; L100-L136 HydrophobicContact CD2-CD1 4.46Å; I116-L136 HydrophobicContact CG2-CD1 4.36Å; I132-L136 HydrophobicContact CG2-CD1 3.69Å; I132-L136 HydrophobicContact CG2-CG 4.11Å; I132-L136 WeakPolarHBondContact O-CB 3.4Å; I132-L136 WeakPolarHBondContact O-CG 3.3Å; I132-L136 PolarHBondContact O-N 3.2Å; A134-L136 PolarHBondContact O-N 2.9Å; L136-L138 HydrophobicContact CB-CD2 3.45Å; L136-L138 VanDerWaalsContact CB-CD2 3.45Å; L136-L138 HydrophobicContact CB-CG 4Å; L136-L138 HydrophobicContact CD1-CD2 4.15Å; L136-L138 HydrophobicContact CG-CD2 4.46Å
137Q96Very high95.4Very high64 Ų6462.7 Ų62.730%0.29933%0.334SS..THydrogen-bonded Turntrans58.948.9-177.5-52178.523.600111.7H133 A134 A135 D139 K140H133-Q137 WeakPolarHBondContact O-CA 3.49Å; H133-Q137 PolarHBondContact O-N 3.08Å; A134-Q137 WeakPolarHBondContact O-CG 3.34Å; A134-Q137 PolarHBondContact O-N 3.19Å; A134-Q137 VanDerWaalsContact O-N 3.16Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; Q137-D139 PolarHBondContact O-N 2.79Å; Q137-K140 HydrophobicContact CB-CD 4.12Å; Q137-K140 HydrophobicContact CB-CG 4.3Å; Q137-K140 WeakPolarHBondContact O-CB 3.43Å; Q137-K140 PolarHBondContact O-N 2.89Å
138L96.6Very high95.4Very high0 Ų061.2 Ų61.20%033%0.325CS..G310 helixtrans-61.8-28.9-173.8-55.2-175.1000112.5L100 I116 H133 L136 K140 I141 W146 C148L100-L138 HydrophobicContact CD2-CD2 3.76Å; I116-L138 HydrophobicContact CD1-CD1 3.82Å; I116-L138 HydrophobicContact CD1-CD2 3.46Å; I116-L138 VanDerWaalsContact CD1-CD2 3.46Å; I116-L138 HydrophobicContact CD1-CG 4.27Å; H133-L138 HydrophobicContact CB-CD1 4.19Å; H133-L138 PolarHBondContact O-N 3.01Å; L136-L138 HydrophobicContact CB-CD2 3.45Å; L136-L138 VanDerWaalsContact CB-CD2 3.45Å; L136-L138 HydrophobicContact CB-CG 4Å; L136-L138 HydrophobicContact CD1-CD2 4.15Å; L136-L138 HydrophobicContact CG-CD2 4.46Å; L138-K140 PolarHBondContact O-N 3.46Å; L138-I141 HydrophobicContact CB-CD1 4.14Å; L138-I141 HydrophobicContact CD2-CD1 3.62Å; L138-I141 HydrophobicContact CG-CD1 4.48Å; L138-I141 WeakPolarHBondContact O-CB 3.35Å; L138-I141 WeakPolarHBondContact O-CG1 3.47Å; L138-I141 PolarHBondContact O-N 2.91Å; L138-W146 HydrophobicContact CB-CH2 3.53Å; L138-W146 HydrophobicContact CB-CZ2 3.86Å; L138-W146 HydrophobicContact CB-CZ3 3.9Å; L138-W146 HydrophobicContact CD1-CE3 4.38Å; L138-W146 HydrophobicContact CD1-CH2 4.14Å; L138-W146 HydrophobicContact CD1-CZ3 3.72Å; L138-W146 HydrophobicContact CG-CH2 4.46Å; L138-W146 HydrophobicContact CG-CZ3 4.39Å; L138-C148 HydrophobicContact CD1-CB 4.04Å
139D94.7Very high95.3Very high107 Ų10760.2 Ų60.257%0.57232%0.315SS*.G310 helixtrans-54.5-19.4170.2-69.2-51.5000114.7H133 Q137 R142H133-D139 IonicContact CE1-OD1 3.31Å; H133-D139 PolarHBondContact CE1-OD1 3.15Å; H133-D139 IonicContact CE1-OD2 3.53Å; H133-D139 PolarHBondContact CE1-OD2 3.4Å; H133-D139 IonicContact ND1-OD2 3.78Å; H133-D139 IonicContact NE2-OD1 3.09Å; Q137-D139 PolarHBondContact O-N 2.79Å; D139-R142 PolarHBondContact O-NH1 3.07Å; D139-R142 PolarHBondContact O-NH2 2.84Å
140K93.3Very high95.3Very high131 Ų13160.5 Ų60.557%0.5732%0.319SS*.G310 helixtrans-95.9-4.1-179.6-60.1-173-176.4172.30113.3Q137 L138 R142Q137-K140 HydrophobicContact CB-CD 4.12Å; Q137-K140 HydrophobicContact CB-CG 4.3Å; Q137-K140 WeakPolarHBondContact O-CB 3.43Å; Q137-K140 PolarHBondContact O-N 2.89Å; L138-K140 PolarHBondContact O-N 3.46Å; K140-R142 PolarHBondContact O-N 2.84Å
141I93.4Very high95.3Very high10 Ų1053.8 Ų53.85%0.05129%0.288CS..  trans-66.4131.3176.2-62.6171.9000108.8L100 L104 L114 I116 L138 N144 W146L100-I141 HydrophobicContact CD2-CD1 4.08Å; L104-I141 HydrophobicContact CD1-CD1 4.43Å; L104-I141 HydrophobicContact CD1-CG1 3.77Å; L104-I141 HydrophobicContact CD2-CG1 4.33Å; L104-I141 HydrophobicContact CD2-CG2 4.07Å; L114-I141 HydrophobicContact CD2-CD1 3.94Å; I116-I141 HydrophobicContact CD1-CD1 4.29Å; L138-I141 HydrophobicContact CB-CD1 4.14Å; L138-I141 HydrophobicContact CD2-CD1 3.62Å; L138-I141 HydrophobicContact CG-CD1 4.48Å; L138-I141 WeakPolarHBondContact O-CB 3.35Å; L138-I141 WeakPolarHBondContact O-CG1 3.47Å; L138-I141 PolarHBondContact O-N 2.91Å; I141-N144 HydrophobicContact CG2-CB 4.18Å; I141-W146 HydrophobicContact CD1-CD2 4.11Å; I141-W146 HydrophobicContact CD1-CG 4.12Å; I141-W146 VanDerWaalsContact CG2-CD1 3.42Å; I141-W146 HydrophobicContact CG2-CG 4.15Å
142R89Confident95.2Very high186 Ų18650.4 Ų50.470%0.70227%0.267SS*.  trans-135.6150.2178.2-60.6-67.5178.8-88.8-0.2107.8D139 K140 N144D139-R142 PolarHBondContact O-NH1 3.07Å; D139-R142 PolarHBondContact O-NH2 2.84Å; K140-R142 PolarHBondContact O-N 2.84Å; R142-N144 PolarHBondContact O-N 3.39Å; R142-N144 VanDerWaalsContact O-N 3.15Å
143G86.4Confident94.9Very high57 Ų5750.4 Ų50.459%0.58827%0.267SS*.SBendtrans85.9-48179.300000113.6I110I110-G143 CarbonylContact O-C 3.6Å
144N92.2Very high94.6Very high18 Ų1852.6 Ų52.610%0.09628%0.28CS..SBendtrans-83.2139.1178.7-57.294.1000112.5L109 I110 S112 L114 I141 R142L109-N144 PolarHBondContact O-ND2 2.58Å; I110-N144 PolarHBondContact O-ND2 2.94Å; S112-N144 PolarHBondContact O-ND2 3.02Å; L114-N144 HydrophobicContact CB-CB 4.16Å; I141-N144 HydrophobicContact CG2-CB 4.18Å; R142-N144 PolarHBondContact O-N 3.39Å; R142-N144 VanDerWaalsContact O-N 3.15Å
145H94.1Very high94.3Very high100 Ų10054.7 Ų54.746%0.46328%0.281SS..  trans-75.8130.5159.6-66.6-156.6000107.3L114 D169 H173L114-H145 PolarHBondContact N-O 3.29Å; H145-D169 IonicContact ND1-OD1 2.66Å; H145-H173 AromaticContact CE1-CE1 3.74Å; H145-H173 AromaticContact CE1-NE2 2.97Å; H145-H173 PolarHBondContact CE1-NE2 3.34Å; H145-H173 AromaticContact CG-NE2 3.77Å; H145-H173 AromaticContact ND1-CE1 3.32Å; H145-H173 PolarHBondContact ND1-CE1 3.24Å; H145-H173 VanDerWaalsContact ND1-CE1 3.32Å; H145-H173 AromaticContact ND1-NE2 3.03Å; H145-H173 PolarHBondContact ND1-NE2 3.36Å; H145-H173 AromaticContact NE2-NE2 3.71Å
146W96Very high93.7Very high73 Ų7356.1 Ų56.128%0.27728%0.282SS..EExtended strand (participates in β ladder)trans-146.1152.6-173.770-90.4000112.7L114 I116 H133 L138 I141 C148L114-W146 HydrophobicContact CB-CB 3.88Å; L114-W146 HydrophobicContact CD2-CB 4.2Å; L114-W146 HydrophobicContact CG-CB 4.15Å; L114-W146 WeakPolarHBondContact O-CA 3.16Å; L114-W146 VanDerWaalsContact O-CB 3.27Å; L114-W146 WeakPolarHBondContact O-CB 3.3Å; I116-W146 HydrophobicContact CD1-CE3 4.03Å; H133-W146 AromaticContact CD2-CH2 3.83Å; H133-W146 AromaticContact NE2-CH2 3.75Å; L138-W146 HydrophobicContact CB-CH2 3.53Å; L138-W146 HydrophobicContact CB-CZ2 3.86Å; L138-W146 HydrophobicContact CB-CZ3 3.9Å; L138-W146 HydrophobicContact CD1-CE3 4.38Å; L138-W146 HydrophobicContact CD1-CH2 4.14Å; L138-W146 HydrophobicContact CD1-CZ3 3.72Å; L138-W146 HydrophobicContact CG-CH2 4.46Å; L138-W146 HydrophobicContact CG-CZ3 4.39Å; I141-W146 HydrophobicContact CD1-CD2 4.11Å; I141-W146 HydrophobicContact CD1-CG 4.12Å; I141-W146 VanDerWaalsContact CG2-CD1 3.42Å; I141-W146 HydrophobicContact CG2-CG 4.15Å; W146-C148 HydrophobicContact CZ3-CB 4.26Å
147L96.6Very high93.4Very high65 Ų6559.3 Ų59.334%0.3430%0.299SS..EExtended strand (participates in β ladder)trans-146.9147.7170.2-170.556.1000110L114 I116 F149 W165L114-L147 PolarHBondContact O-N 3.33Å; I116-L147 PolarHBondContact N-O 2.51Å; L147-F149 HydrophobicContact CB-CD2 4.45Å; L147-F149 HydrophobicContact CB-CE2 3.76Å; L147-F149 HydrophobicContact CB-CZ 4.3Å; L147-F149 HydrophobicContact CD2-CE1 3.91Å; L147-F149 HydrophobicContact CD2-CE2 3.55Å; L147-F149 HydrophobicContact CD2-CZ 3.17Å; L147-F149 HydrophobicContact CG-CD2 4.21Å; L147-F149 HydrophobicContact CG-CE1 4.43Å; L147-F149 HydrophobicContact CG-CE2 3.58Å; L147-F149 HydrophobicContact CG-CZ 3.72Å; L147-W165 HydrophobicContact CB-CD2 3.89Å; L147-W165 HydrophobicContact CB-CE3 4.07Å; L147-W165 HydrophobicContact CB-CH2 3.63Å; L147-W165 HydrophobicContact CB-CZ2 3.4Å; L147-W165 HydrophobicContact CB-CZ3 3.95Å; L147-W165 HydrophobicContact CD2-CD2 3.91Å; L147-W165 HydrophobicContact CD2-CG 3.88Å; L147-W165 HydrophobicContact CD2-CZ2 4.44Å; L147-W165 VanDerWaalsContact N-CH2 3.32Å
148C97.5Very high93.2Very high16 Ų1658.8 Ų58.811%0.10830%0.298CS..EExtended strand (participates in β ladder)trans-111.8120.2179.1-173.70000109.8I116 I129 L138 W146I116-C148 HydrophobicContact CB-CB 4.11Å; I116-C148 HydrophobicContact CG2-CB 4.36Å; I116-C148 CarbonylContact O-C 3.57Å; I116-C148 WeakPolarHBondContact O-CA 3.4Å; I129-C148 HydrophobicContact CG2-CB 4.44Å; L138-C148 HydrophobicContact CD1-CB 4.04Å; W146-C148 HydrophobicContact CZ3-CB 4.26Å
149F95.9Very high93Very high28 Ų2858.9 Ų58.912%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-110.6125.1-179-68.4-88.8000110.4I116 L117 A118 L147 W165I116-F149 PolarHBondContact O-N 3.14Å; L117-F149 HydrophobicContact CD2-CB 4.02Å; L117-F149 HydrophobicContact CD2-CD2 4.47Å; A118-F149 WeakPolarHBondContact CB-O 3.25Å; A118-F149 PolarHBondContact N-O 2.91Å; L147-F149 HydrophobicContact CB-CD2 4.45Å; L147-F149 HydrophobicContact CB-CE2 3.76Å; L147-F149 HydrophobicContact CB-CZ 4.3Å; L147-F149 HydrophobicContact CD2-CE1 3.91Å; L147-F149 HydrophobicContact CD2-CE2 3.55Å; L147-F149 HydrophobicContact CD2-CZ 3.17Å; L147-F149 HydrophobicContact CG-CD2 4.21Å; L147-F149 HydrophobicContact CG-CE1 4.43Å; L147-F149 HydrophobicContact CG-CE2 3.58Å; L147-F149 HydrophobicContact CG-CZ 3.72Å; F149-W165 HydrophobicContact CE1-CB 4.41Å; F149-W165 HydrophobicContact CE2-CB 3.99Å; F149-W165 AromaticContact CE2-CD2 3.77Å; F149-W165 HydrophobicContact CE2-CD2 3.77Å; F149-W165 AromaticContact CE2-CE3 3.61Å; F149-W165 HydrophobicContact CE2-CE3 3.61Å; F149-W165 AromaticContact CE2-CG 3.94Å; F149-W165 HydrophobicContact CE2-CG 3.94Å; F149-W165 HydrophobicContact CE2-CZ3 4.42Å; F149-W165 HydrophobicContact CZ-CB 3.43Å; F149-W165 VanDerWaalsContact CZ-CB 3.43Å; F149-W165 AromaticContact CZ-CD2 3.92Å; F149-W165 HydrophobicContact CZ-CD2 3.92Å; F149-W165 HydrophobicContact CZ-CE3 4.21Å; F149-W165 AromaticContact CZ-CG 3.57Å; F149-W165 HydrophobicContact CZ-CG 3.57Å
150P97.6Very high93Very high44 Ų4456.5 Ų56.529%0.28629%0.288SS..EExtended strand (participates in β ladder)trans-62.8135.3160.227.1-28.7000108.2Q121 I129 N158Q121-P150 HydrophobicContact CG-CB 3.9Å; I129-P150 HydrophobicContact CD1-CB 3.78Å; I129-P150 HydrophobicContact CD1-CG 4.34Å; I129-P150 HydrophobicContact CG1-CB 3.95Å; I129-P150 HydrophobicContact CG1-CG 4.13Å; P150-N158 WeakPolarHBondContact O-CB 3.16Å
151C97.7Very high93Very high0 Ų054.9 Ų54.90%028%0.283CS..  trans-153.2169.1175.3710000112.8A118 N119 K120 Q121 D157 N158 L159A118-C151 PolarHBondContact O-N 2.97Å; N119-C151 CarbonylContact C-O 3.47Å; N119-C151 WeakPolarHBondContact CA-O 3.38Å; K120-C151 PolarHBondContact N-O 2.98Å; Q121-C151 PolarHBondContact N-O 3.48Å; C151-D157 VanDerWaalsContact CA-O 3.25Å; C151-D157 WeakPolarHBondContact CA-O 3.35Å; C151-D157 VanDerWaalsContact CB-O 3.28Å; C151-D157 WeakPolarHBondContact CB-O 3.43Å; C151-N158 HydrophobicContact CB-CB 4.33Å; C151-L159 HydrophobicContact CB-CD2 3.79Å; C151-L159 HydrophobicContact CB-CG 4.23Å
152S96.5Very high93.1Very high0 Ų054.5 Ų54.50%028%0.281CS..BIsolated β-bridgetrans-135.5115.8164.2177.20000111.4D122 L154 I155 L156 D157D122-S152 VanDerWaalsContact CG-OG 3.24Å; D122-S152 WeakPolarHBondContact OD1-CB 3.2Å; D122-S152 PolarHBondContact OD1-OG 2.84Å; S152-L154 PolarHBondContact O-N 3.43Å; S152-L154 PolarHBondContact OG-N 3.05Å; S152-L154 VanDerWaalsContact OG-N 3.14Å; S152-I155 PolarHBondContact O-N 3.31Å; S152-I155 PolarHBondContact OG-N 2.89Å; S152-L156 WeakPolarHBondContact O-CA 3.47Å; S152-L156 PolarHBondContact O-N 3.37Å; S152-D157 PolarHBondContact N-O 3.02Å; S152-D157 PolarHBondContact O-N 3.05Å
153G92Very high93.5Very high0 Ų046 Ų460%025%0.249CC..THydrogen-bonded Turntrans-63.6-19.5167.700000113.8R35 N119R35-G153 WeakPolarHBondContact CB-O 3.35Å; R35-G153 WeakPolarHBondContact CG-O 3.34Å; R35-G153 PolarHBondContact NE-O 3.26Å; N119-G153 PolarHBondContact OD1-N 2.83Å
154L91.1Very high94Very high95 Ų9544.6 Ų44.650%0.49723%0.228SC..THydrogen-bonded Turntrans-77.7-41.4178.5-174.162.1000111.8R35 V41 S152R35-L154 VanDerWaalsContact CZ-O 3.3Å; R35-L154 PolarHBondContact NE-O 3.11Å; R35-L154 PolarHBondContact NH2-O 2.72Å; V41-L154 HydrophobicContact CG2-CD1 4.18Å; S152-L154 PolarHBondContact O-N 3.43Å; S152-L154 PolarHBondContact OG-N 3.05Å; S152-L154 VanDerWaalsContact OG-N 3.14Å
155I89.3Confident94.2Very high110 Ų11046.3 Ų46.356%0.56423%0.234SC*.THydrogen-bonded Turntrans-110.75-175.862.1165.4000114.6D122 S152 D157D122-I155 HydrophobicContact CB-CD1 4.3Å; S152-I155 PolarHBondContact O-N 3.31Å; S152-I155 PolarHBondContact OG-N 2.89Å; I155-D157 VanDerWaalsContact C-N 3.26Å; I155-D157 HydrophobicContact CD1-CB 3.93Å; I155-D157 HydrophobicContact CG1-CB 3.87Å; I155-D157 PolarHBondContact O-N 3.47Å
156L86.3Confident94.3Very high72 Ų7241.6 Ų41.638%0.37721%0.212SC..THydrogen-bonded Turntrans6033-175.1-166.964.2000112.9R35 L36 S152 L159 V160R35-L156 HydrophobicContact CG-CB 3.82Å; R35-L156 HydrophobicContact CG-CD1 3.62Å; R35-L156 HydrophobicContact CG-CG 4.2Å; L36-L156 HydrophobicContact CD2-CD1 4.46Å; S152-L156 WeakPolarHBondContact O-CA 3.47Å; S152-L156 PolarHBondContact O-N 3.37Å; L156-L159 HydrophobicContact CD1-CB 3.91Å; L156-L159 HydrophobicContact CD1-CD1 3.96Å; L156-V160 HydrophobicContact CD1-CG2 4.37Å
157D89.6Confident94.4Very high69 Ų6938.1 Ų38.137%0.36920%0.199SC..BIsolated β-bridgetrans-82.5128176.2-178.952.9000110.5C151 S152 I155 L159C151-D157 VanDerWaalsContact CA-O 3.25Å; C151-D157 WeakPolarHBondContact CA-O 3.35Å; C151-D157 VanDerWaalsContact CB-O 3.28Å; C151-D157 WeakPolarHBondContact CB-O 3.43Å; S152-D157 PolarHBondContact N-O 3.02Å; S152-D157 PolarHBondContact O-N 3.05Å; I155-D157 VanDerWaalsContact C-N 3.26Å; I155-D157 HydrophobicContact CD1-CB 3.93Å; I155-D157 HydrophobicContact CG1-CB 3.87Å; I155-D157 PolarHBondContact O-N 3.47Å; D157-L159 PolarHBondContact O-N 3.46Å
158N92.1Very high94.3Very high53 Ų5339.4 Ų39.428%0.28321%0.206SC..SBendtrans58.36.3176.8-70.6-60.9000116.8P150 C151 E161 G162P150-N158 WeakPolarHBondContact O-CB 3.16Å; C151-N158 HydrophobicContact CB-CB 4.33Å; N158-E161 VanDerWaalsContact C-OE2 3.23Å; N158-E161 WeakPolarHBondContact CA-OE2 3.36Å; N158-G162 PolarHBondContact O-N 3.2Å; N158-G162 VanDerWaalsContact O-N 3.17Å
159L92.7Very high94.2Very high2 Ų239.7 Ų39.71%0.0121%0.206CC..Hα-helixtrans-71.5-41.4-179.2-79.7-175.4000112.4I32 R35 L36 L117 C151 L156 D157 E161 G162 I163I32-L159 HydrophobicContact CB-CD1 4.48Å; I32-L159 HydrophobicContact CD1-CD2 4.38Å; I32-L159 HydrophobicContact CG1-CD1 4.4Å; I32-L159 HydrophobicContact CG1-CD2 4.15Å; I32-L159 HydrophobicContact CG2-CD1 4.06Å; I32-L159 HydrophobicContact CG2-CD2 3.74Å; R35-L159 HydrophobicContact CB-CD1 4.43Å; R35-L159 HydrophobicContact CG-CD1 4.28Å; L36-L159 HydrophobicContact CD2-CB 4.13Å; L117-L159 HydrophobicContact CD1-CD2 4.11Å; C151-L159 HydrophobicContact CB-CD2 3.79Å; C151-L159 HydrophobicContact CB-CG 4.23Å; L156-L159 HydrophobicContact CD1-CB 3.91Å; L156-L159 HydrophobicContact CD1-CD1 3.96Å; D157-L159 PolarHBondContact O-N 3.46Å; L159-E161 VanDerWaalsContact C-N 3.32Å; L159-G162 PolarHBondContact O-N 2.77Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.44Å
160V93.5Very high94.2Very high57 Ų5738.6 Ų38.635%0.34520%0.201SC..Hα-helixtrans-66.9-39.7-178.2178.80000110.1Y57 L156 I163 D164Y57-V160 WeakPolarHBondContact OH-CG1 3.15Å; L156-V160 HydrophobicContact CD1-CG2 4.37Å; V160-I163 PolarHBondContact O-N 2.65Å; V160-D164 WeakPolarHBondContact O-CB 3.1Å; V160-D164 VanDerWaalsContact O-CG 3.28Å; V160-D164 PolarHBondContact O-N 2.87Å
161E94.6Very high93.9Very high98 Ų9837 Ų3746%0.45819%0.193SC..Hα-helixtrans-62.4-42.2176-64.582.7170.400111.4N158 L159 D164 W165N158-E161 VanDerWaalsContact C-OE2 3.23Å; N158-E161 WeakPolarHBondContact CA-OE2 3.36Å; L159-E161 VanDerWaalsContact C-N 3.32Å; E161-D164 WeakPolarHBondContact O-CB 3.36Å; E161-D164 PolarHBondContact O-N 3.31Å; E161-W165 PolarHBondContact O-N 3.37Å
162G95.5Very high93.5Very high1 Ų140.3 Ų40.31%0.0122%0.215CC..Hα-helixtrans-63.5-42173.600000112.9N158 L159 L166N158-G162 PolarHBondContact O-N 3.2Å; N158-G162 VanDerWaalsContact O-N 3.17Å; L159-G162 PolarHBondContact O-N 2.77Å; G162-L166 PolarHBondContact O-N 3.08Å; G162-L166 VanDerWaalsContact O-N 3.17Å
163I96.7Very high92.5Very high7 Ų743.8 Ų43.84%0.03623%0.231CC..Hα-helixtrans-67.6-39.8175.1-62.3-51.1000111.3L36 Y57 L62 I88 L159 V160 W165 L166 V167L36-I163 HydrophobicContact CD1-CD1 3.86Å; L36-I163 HydrophobicContact CD1-CG1 3.85Å; L36-I163 HydrophobicContact CD2-CG1 3.83Å; Y57-I163 HydrophobicContact CD1-CG2 4.04Å; Y57-I163 HydrophobicContact CE1-CG2 3.84Å; L62-I163 HydrophobicContact CD1-CG2 4.12Å; I88-I163 HydrophobicContact CD1-CD1 4.16Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.44Å; V160-I163 PolarHBondContact O-N 2.65Å; I163-W165 VanDerWaalsContact C-N 3.34Å; I163-W165 PolarHBondContact O-N 3.15Å; I163-L166 HydrophobicContact CD1-CD2 3.77Å; I163-L166 WeakPolarHBondContact O-CG 3.28Å; I163-L166 PolarHBondContact O-N 3.08Å; I163-V167 HydrophobicContact CG2-CG2 4.14Å; I163-V167 WeakPolarHBondContact O-CB 3.42Å; I163-V167 VanDerWaalsContact O-CG2 3.24Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 2.65Å
164D96.4Very high91Very high28 Ų2847.1 Ų47.115%0.1525%0.251CS..Hα-helixtrans-59.1-46.9175.9-82.1-13.3000111.8Y57 R58 V160 E161 N168Y57-D164 VanDerWaalsContact CE1-OD1 3.25Å; Y57-D164 WeakPolarHBondContact CE1-OD1 3.12Å; Y57-D164 VanDerWaalsContact CZ-OD1 3.27Å; Y57-D164 PolarHBondContact OH-OD1 2.78Å; R58-D164 IonicContact CZ-OD1 3.59Å; R58-D164 IonicContact CZ-OD2 3.54Å; R58-D164 VanDerWaalsContact CZ-OD2 3.23Å; R58-D164 IonicContact NE-OD1 3.68Å; R58-D164 PolarHBondContact NE-OD1 2.85Å; R58-D164 VanDerWaalsContact NE-OD1 3.14Å; R58-D164 VanDerWaalsContact NH1-CG 3.28Å; R58-D164 IonicContact NH1-OD1 3.05Å; R58-D164 PolarHBondContact NH1-OD1 3.1Å; R58-D164 IonicContact NH1-OD2 3.65Å; R58-D164 PolarHBondContact NH1-OD2 3.14Å; R58-D164 IonicContact NH2-OD1 3.07Å; R58-D164 PolarHBondContact NH2-OD1 2.66Å; R58-D164 IonicContact NH2-OD2 2.66Å; R58-D164 PolarHBondContact NH2-OD2 3.28Å; V160-D164 WeakPolarHBondContact O-CB 3.1Å; V160-D164 VanDerWaalsContact O-CG 3.28Å; V160-D164 PolarHBondContact O-N 2.87Å; E161-D164 WeakPolarHBondContact O-CB 3.36Å; E161-D164 PolarHBondContact O-N 3.31Å; D164-N168 WeakPolarHBondContact O-CB 3.19Å; D164-N168 PolarHBondContact O-N 2.9Å; D164-N168 PolarHBondContact O-ND2 2.65Å; D164-N168 VanDerWaalsContact O-ND2 3.15Å
165W97.1Very high89.2Confident55 Ų5547.5 Ų47.521%0.20825%0.249CC..Hα-helixtrans-61.4-50.3178.9173.781.1000111.7T113 A115 L147 F149 E161 I163 V167 N168 D169T113-W165 HydrophobicContact CG2-CH2 3.68Å; T113-W165 HydrophobicContact CG2-CZ3 3.72Å; A115-W165 HydrophobicContact CB-CE3 4.42Å; A115-W165 HydrophobicContact CB-CZ3 3.92Å; L147-W165 HydrophobicContact CB-CD2 3.89Å; L147-W165 HydrophobicContact CB-CE3 4.07Å; L147-W165 HydrophobicContact CB-CH2 3.63Å; L147-W165 HydrophobicContact CB-CZ2 3.4Å; L147-W165 HydrophobicContact CB-CZ3 3.95Å; L147-W165 HydrophobicContact CD2-CD2 3.91Å; L147-W165 HydrophobicContact CD2-CG 3.88Å; L147-W165 HydrophobicContact CD2-CZ2 4.44Å; L147-W165 VanDerWaalsContact N-CH2 3.32Å; F149-W165 HydrophobicContact CE1-CB 4.41Å; F149-W165 HydrophobicContact CE2-CB 3.99Å; F149-W165 AromaticContact CE2-CD2 3.77Å; F149-W165 HydrophobicContact CE2-CD2 3.77Å; F149-W165 AromaticContact CE2-CE3 3.61Å; F149-W165 HydrophobicContact CE2-CE3 3.61Å; F149-W165 AromaticContact CE2-CG 3.94Å; F149-W165 HydrophobicContact CE2-CG 3.94Å; F149-W165 HydrophobicContact CE2-CZ3 4.42Å; F149-W165 HydrophobicContact CZ-CB 3.43Å; F149-W165 VanDerWaalsContact CZ-CB 3.43Å; F149-W165 AromaticContact CZ-CD2 3.92Å; F149-W165 HydrophobicContact CZ-CD2 3.92Å; F149-W165 HydrophobicContact CZ-CE3 4.21Å; F149-W165 AromaticContact CZ-CG 3.57Å; F149-W165 HydrophobicContact CZ-CG 3.57Å; E161-W165 PolarHBondContact O-N 3.37Å; I163-W165 VanDerWaalsContact C-N 3.34Å; I163-W165 PolarHBondContact O-N 3.15Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 2.94Å; W165-N168 PolarHBondContact O-N 2.56Å; W165-D169 HydrophobicContact CZ2-CB 4.46Å; W165-D169 WeakPolarHBondContact O-CB 3.25Å; W165-D169 PolarHBondContact O-N 3.37Å
166L96.6Very high87.1Confident1 Ų147 Ų471%0.00525%0.251CS..Hα-helixtrans-67.2-34.8-177.371.586.2000112.1I19 I88 T113 A115 G162 I163 D169 I170I19-L166 HydrophobicContact CD1-CD1 3.6Å; I19-L166 HydrophobicContact CG1-CD1 4.42Å; I88-L166 HydrophobicContact CD1-CD2 3.74Å; I88-L166 HydrophobicContact CG1-CD2 4.04Å; T113-L166 HydrophobicContact CG2-CB 4.37Å; A115-L166 HydrophobicContact CB-CB 4.36Å; A115-L166 HydrophobicContact CB-CD2 4.03Å; G162-L166 PolarHBondContact O-N 3.08Å; G162-L166 VanDerWaalsContact O-N 3.17Å; I163-L166 HydrophobicContact CD1-CD2 3.77Å; I163-L166 WeakPolarHBondContact O-CG 3.28Å; I163-L166 PolarHBondContact O-N 3.08Å; L166-D169 PolarHBondContact O-N 3.17Å; L166-I170 HydrophobicContact CD1-CD1 3.91Å; L166-I170 WeakPolarHBondContact O-CB 3.27Å; L166-I170 WeakPolarHBondContact O-CD1 2.98Å; L166-I170 WeakPolarHBondContact O-CG1 3.46Å; L166-I170 PolarHBondContact O-N 3.05Å
167V96.8Very high84.8Confident0 Ų051.7 Ų51.70%028%0.276CS..Hα-helixtrans-66.4-43.4177.31680000110.3M17 Y57 Y60 L62 I163 W165 A171M17-V167 HydrophobicContact CE-CG1 4.11Å; M17-V167 WeakPolarHBondContact CE-O 3.4Å; M17-V167 HydrophobicContact SD-CB 4.42Å; M17-V167 HydrophobicContact SD-CG1 4.16Å; M17-V167 HydrophobicContact SD-CG2 4.2Å; Y57-V167 HydrophobicContact CD1-CG2 4.08Å; Y60-V167 HydrophobicContact CD2-CG1 3.63Å; Y60-V167 HydrophobicContact CE2-CG1 3.97Å; Y60-V167 HydrophobicContact CG-CG1 4.45Å; L62-V167 HydrophobicContact CD1-CG2 3.99Å; L62-V167 HydrophobicContact CD2-CG2 3.91Å; I163-V167 HydrophobicContact CG2-CG2 4.14Å; I163-V167 WeakPolarHBondContact O-CB 3.42Å; I163-V167 VanDerWaalsContact O-CG2 3.24Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 2.65Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 2.94Å; V167-A171 WeakPolarHBondContact O-CB 3.37Å; V167-A171 PolarHBondContact O-N 3.45Å
168N95.5Very high82.3Confident91 Ų9160.9 Ų60.949%0.48732%0.317SS..Hα-helixtrans-65.1-42.4176.1-70.7-23.8000111.9D164 W165 A171 S172D164-N168 WeakPolarHBondContact O-CB 3.19Å; D164-N168 PolarHBondContact O-N 2.9Å; D164-N168 PolarHBondContact O-ND2 2.65Å; D164-N168 VanDerWaalsContact O-ND2 3.15Å; W165-N168 PolarHBondContact O-N 2.56Å; N168-A171 PolarHBondContact O-N 2.96Å; N168-S172 PolarHBondContact O-N 2.82Å
169D95.6Very high81.8Confident22 Ų2261.3 Ų61.312%0.11832%0.318CS..Hα-helixtrans-61-56177.5-170.274.4000109.9T113 H145 W165 L166 A171 S172 H173T113-D169 WeakPolarHBondContact CB-OD2 3.48Å; T113-D169 HydrophobicContact CG2-CB 4.15Å; T113-D169 WeakPolarHBondContact CG2-OD2 3.39Å; T113-D169 PolarHBondContact OG1-OD2 3.05Å; H145-D169 IonicContact ND1-OD1 2.66Å; W165-D169 HydrophobicContact CZ2-CB 4.46Å; W165-D169 WeakPolarHBondContact O-CB 3.25Å; W165-D169 PolarHBondContact O-N 3.37Å; L166-D169 PolarHBondContact O-N 3.17Å; D169-A171 VanDerWaalsContact C-N 3.32Å; D169-A171 PolarHBondContact O-N 3.1Å; D169-S172 PolarHBondContact O-N 2.86Å; D169-S172 VanDerWaalsContact O-N 3.08Å; D169-S172 PolarHBondContact O-OG 3.1Å; D169-H173 PolarHBondContact O-CE1 3.01Å; D169-H173 PolarHBondContact O-N 3.41Å; D169-H173 PolarHBondContact O-ND1 2.92Å; D169-H173 IonicContact OD1-CE1 3.97Å; D169-H173 IonicContact OD2-CE1 2.71Å; D169-H173 PolarHBondContact OD2-CE1 3.09Å; D169-H173 VanDerWaalsContact OD2-CE1 3.31Å; D169-H173 IonicContact OD2-ND1 2.7Å
170I94.5Very high81.2Confident5 Ų564.4 Ų64.43%0.02634%0.335CS..Hα-helixtrans-54.9-47.4177.4-62.3161000111.3M17 N85 C86 L166 S172 H173 V174M17-I170 HydrophobicContact CE-CB 3.98Å; M17-I170 HydrophobicContact CE-CG2 3.83Å; M17-I170 HydrophobicContact CG-CG2 4Å; M17-I170 HydrophobicContact SD-CB 4.17Å; M17-I170 HydrophobicContact SD-CD1 4.01Å; M17-I170 HydrophobicContact SD-CG2 4.05Å; N85-I170 HydrophobicContact CB-CD1 4.26Å; N85-I170 HydrophobicContact CB-CG1 4.35Å; N85-I170 HydrophobicContact CB-CG2 3.89Å; C86-I170 HydrophobicContact CB-CD1 3.46Å; C86-I170 VanDerWaalsContact CB-CD1 3.46Å; C86-I170 HydrophobicContact CB-CG1 3.99Å; L166-I170 HydrophobicContact CD1-CD1 3.91Å; L166-I170 WeakPolarHBondContact O-CB 3.27Å; L166-I170 WeakPolarHBondContact O-CD1 2.98Å; L166-I170 WeakPolarHBondContact O-CG1 3.46Å; L166-I170 PolarHBondContact O-N 3.05Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.21Å; I170-H173 PolarHBondContact O-N 3.28Å; I170-V174 HydrophobicContact CG2-CG2 4.21Å; I170-V174 WeakPolarHBondContact O-CG2 3.44Å; I170-V174 PolarHBondContact O-N 3.45Å; I170-V174 VanDerWaalsContact O-N 3.15Å
171A92.3Very high80.5Confident12 Ų1264.8 Ų64.810%0.09933%0.334CS..Hα-helixtrans-58.2-40.5-179.900000112M17 Y60 V167 N168 D169 H173 V174 F175M17-A171 HydrophobicContact CE-CB 4.03Å; Y60-A171 HydrophobicContact CE1-CB 4.43Å; Y60-A171 HydrophobicContact CE2-CB 4.29Å; Y60-A171 VanDerWaalsContact OH-CB 3.24Å; Y60-A171 WeakPolarHBondContact OH-CB 3.21Å; V167-A171 WeakPolarHBondContact O-CB 3.37Å; V167-A171 PolarHBondContact O-N 3.45Å; N168-A171 PolarHBondContact O-N 2.96Å; D169-A171 VanDerWaalsContact C-N 3.32Å; D169-A171 PolarHBondContact O-N 3.1Å; A171-H173 PolarHBondContact O-N 3.16Å; A171-V174 PolarHBondContact O-N 3.32Å; A171-F175 WeakPolarHBondContact O-CD2 3.18Å; A171-F175 PolarHBondContact O-N 3.09Å
172S89.1Confident79.7Confident68 Ų6862.8 Ų62.848%0.47633%0.327SS..Hα-helixtrans-64.4-23.3178.671.50000114N168 D169 I170 T176N168-S172 PolarHBondContact O-N 2.82Å; D169-S172 PolarHBondContact O-N 2.86Å; D169-S172 VanDerWaalsContact O-N 3.08Å; D169-S172 PolarHBondContact O-OG 3.1Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.21Å; S172-T176 WeakPolarHBondContact O-CG2 3.48Å; S172-T176 PolarHBondContact O-OG1 3.42Å
173H75.8Confident78.7Confident73 Ų7366.7 Ų66.734%0.33835%0.347SS..Hα-helixtrans-87.8-34.8177.1-62.393.7000113.3H145 D169 I170 A171 F175 T176H145-H173 AromaticContact CE1-CE1 3.74Å; H145-H173 AromaticContact CE1-NE2 2.97Å; H145-H173 PolarHBondContact CE1-NE2 3.34Å; H145-H173 AromaticContact CG-NE2 3.77Å; H145-H173 AromaticContact ND1-CE1 3.32Å; H145-H173 PolarHBondContact ND1-CE1 3.24Å; H145-H173 VanDerWaalsContact ND1-CE1 3.32Å; H145-H173 AromaticContact ND1-NE2 3.03Å; H145-H173 PolarHBondContact ND1-NE2 3.36Å; H145-H173 AromaticContact NE2-NE2 3.71Å; D169-H173 PolarHBondContact O-CE1 3.01Å; D169-H173 PolarHBondContact O-N 3.41Å; D169-H173 PolarHBondContact O-ND1 2.92Å; D169-H173 IonicContact OD1-CE1 3.97Å; D169-H173 IonicContact OD2-CE1 2.71Å; D169-H173 PolarHBondContact OD2-CE1 3.09Å; D169-H173 VanDerWaalsContact OD2-CE1 3.31Å; D169-H173 IonicContact OD2-ND1 2.7Å; I170-H173 PolarHBondContact O-N 3.28Å; A171-H173 PolarHBondContact O-N 3.16Å; H173-F175 VanDerWaalsContact C-N 3.32Å; H173-T176 PolarHBondContact O-OG1 3.06Å; H173-T176 VanDerWaalsContact O-OG1 3.04Å
174V60.1Low77.5Confident70 Ų7070.7 Ų70.742%0.42437%0.367SS..Hα-helixtrans-71.1-30.8-178176.20000111.2I170 A171I170-V174 HydrophobicContact CG2-CG2 4.21Å; I170-V174 WeakPolarHBondContact O-CG2 3.44Å; I170-V174 PolarHBondContact O-N 3.45Å; I170-V174 VanDerWaalsContact O-N 3.15Å; A171-V174 PolarHBondContact O-N 3.32Å
175F53.4Low76.2Confident103 Ų10373.7 Ų73.745%0.45238%0.383SS..SBendtrans-99-0.4-175.7-62.8-64.5000115.3M15 Y60 A171 H173 L177M15-F175 HydrophobicContact SD-CZ 4.22Å; Y60-F175 HydrophobicContact CE1-CE2 4.21Å; Y60-F175 WeakPolarHBondContact OH-CE2 3.18Å; A171-F175 WeakPolarHBondContact O-CD2 3.18Å; A171-F175 PolarHBondContact O-N 3.09Å; H173-F175 VanDerWaalsContact C-N 3.32Å; F175-L177 PolarHBondContact O-N 3.2Å
176T44.5Very low74.5Confident99 Ų9975.2 Ų75.261%0.60740%0.396SS*.  trans-74.784.8167.536.40000109.5S172 H173 E178S172-T176 WeakPolarHBondContact O-CG2 3.48Å; S172-T176 PolarHBondContact O-OG1 3.42Å; H173-T176 PolarHBondContact O-OG1 3.06Å; H173-T176 VanDerWaalsContact O-OG1 3.04Å; T176-E178 PolarHBondContact O-N 3.17Å
177L37.9Very low72.7Confident172 Ų17281.3 Ų81.390%0.90143%0.429SS*.  trans-59.6104.5153.8-68.1162.8000107.4F175F175-L177 PolarHBondContact O-N 3.2Å
178E37Very low70.5Confident261 Ų26188.7 Ų88.7100%1.2247%0.468SS*.  trans-83.10149.3-72.4-170.4169.200109.7T176T176-E178 PolarHBondContact O-N 3.17Å

Retrieved 178 of 178 residues in 429.2 ms (Link to these results)

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