A0A077Z368_TRITR Loading...

CS domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z368, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M36.6Very low47.9Very low241 Ų241108.1 Ų108.1100%1.18764%0.638SS**  0107.10-73.2-173.6-82.300106.3S3M1-S3 PolarHBondContact O-N 2.83Å
2S34Very low51.3Low117 Ų117103.3 Ų103.382%0.81861%0.61SS**  trans-59117.1-177.6-30.70000107.6V4S2-V4 PolarHBondContact O-N 3Å
3S35.2Very low54.1Low112 Ų11295.8 Ų95.878%0.78357%0.566SS**  trans-60.796.9164.2-177.30000105.2M1 A5M1-S3 PolarHBondContact O-N 2.83Å; S3-A5 PolarHBondContact O-N 2.78Å
4V38.9Very low56.6Low109 Ų10997 Ų9766%0.66158%0.575SS**  trans-63.483.8156.61740000103.3S2 N6S2-V4 PolarHBondContact O-N 3Å; V4-N6 VanDerWaalsContact CG1-OD1 3.25Å; V4-N6 WeakPolarHBondContact CG1-OD1 3.28Å; V4-N6 PolarHBondContact O-N 3.07Å
5A39.8Very low58.8Low70 Ų7091.5 Ų91.558%0.57954%0.543SS*.  trans-62.293.8155.800000102.7S3 N7S3-A5 PolarHBondContact O-N 2.78Å; A5-N7 PolarHBondContact O-N 2.8Å
6N38.1Very low60.6Low107 Ų10794 Ų9457%0.57256%0.562SS**  trans-47.3107.6171.3-87.5-25.6000106.4V4 F8V4-N6 VanDerWaalsContact CG1-OD1 3.25Å; V4-N6 WeakPolarHBondContact CG1-OD1 3.28Å; V4-N6 PolarHBondContact O-N 3.07Å; N6-F8 HydrophobicContact CB-CD2 4.02Å; N6-F8 PolarHBondContact O-N 3.16Å
7N40.3Very low62.3Low160 Ų16090.7 Ų90.786%0.85654%0.538SS*.  trans-70.69.2178-95-5.4000112.1A5 S9A5-N7 PolarHBondContact O-N 2.8Å; N7-S9 PolarHBondContact O-N 2.89Å
8F48.8Very low63.9Low91 Ų9186.1 Ų86.140%0.39951%0.512SS..  trans-64.592.1164.2-63.5-81.4000107.1N6 F10N6-F8 HydrophobicContact CB-CD2 4.02Å; N6-F8 PolarHBondContact O-N 3.16Å; F8-F10 HydrophobicContact CB-CD1 4.39Å; F8-F10 HydrophobicContact CB-CD2 4.02Å; F8-F10 HydrophobicContact CB-CE1 3.98Å; F8-F10 HydrophobicContact CB-CE2 3.57Å; F8-F10 HydrophobicContact CB-CG 4.42Å; F8-F10 HydrophobicContact CB-CZ 3.55Å; F8-F10 HydrophobicContact CG-CZ 4.11Å; F8-F10 VanDerWaalsContact O-CD2 3.29Å; F8-F10 WeakPolarHBondContact O-CD2 3.33Å; F8-F10 PolarHBondContact O-N 3.31Å
9S60.6Low65.4Low120 Ų12084.7 Ų84.784%0.83950%0.499SS*.  trans-6780.7162.9178.70000106.5N7N7-S9 PolarHBondContact O-N 2.89Å
10F74.1Confident66.9Low39 Ų3980.5 Ų80.517%0.17148%0.475CS..PPolyproline II helixtrans-56.8135.6173.2-65.7-73.3000108F8 V12 W21 T23F8-F10 HydrophobicContact CB-CD1 4.39Å; F8-F10 HydrophobicContact CB-CD2 4.02Å; F8-F10 HydrophobicContact CB-CE1 3.98Å; F8-F10 HydrophobicContact CB-CE2 3.57Å; F8-F10 HydrophobicContact CB-CG 4.42Å; F8-F10 HydrophobicContact CB-CZ 3.55Å; F8-F10 HydrophobicContact CG-CZ 4.11Å; F8-F10 VanDerWaalsContact O-CD2 3.29Å; F8-F10 WeakPolarHBondContact O-CD2 3.33Å; F8-F10 PolarHBondContact O-N 3.31Å; F10-V12 WeakPolarHBondContact O-CG1 3.13Å; F10-V12 PolarHBondContact O-N 3.08Å; F10-W21 HydrophobicContact CB-CB 4.33Å; F10-W21 HydrophobicContact CB-CG 4.07Å; F10-W21 AromaticContact CD2-CD1 3.98Å; F10-W21 AromaticContact CD2-NE1 3.91Å; F10-W21 AromaticContact CG-CD1 3.89Å; F10-T23 HydrophobicContact CD1-CG2 4.41Å; F10-T23 HydrophobicContact CE1-CG2 3.97Å; F10-T23 HydrophobicContact CE2-CG2 4.35Å; F10-T23 HydrophobicContact CZ-CG2 3.93Å
11P81Confident68Low23 Ų2378.2 Ų78.215%0.14946%0.458CS..PPolyproline II helixtrans-59.7116.2173.823.8-32.3000108.8K117 M118P11-K117 HydrophobicContact CB-CB 3.64Å; P11-K117 HydrophobicContact CG-CB 4.07Å; P11-K117 WeakPolarHBondContact CG-O 3.29Å; P11-M118 HydrophobicContact CB-CG 3.98Å; P11-M118 VanDerWaalsContact CG-CA 3.43Å; P11-M118 HydrophobicContact CG-CB 4.16Å; P11-M118 HydrophobicContact CG-CG 3.71Å; P11-M118 WeakPolarHBondContact O-CE 3.37Å
12V87.7Confident70.5Confident51 Ų5167 Ų6731%0.30940%0.403SS..PPolyproline II helixtrans-96.3141.8-179-61.30000110.7F10 W21 T114F10-V12 WeakPolarHBondContact O-CG1 3.13Å; F10-V12 PolarHBondContact O-N 3.08Å; V12-W21 HydrophobicContact CG1-CB 4.07Å; V12-W21 HydrophobicContact CG1-CD2 4.2Å; V12-W21 HydrophobicContact CG1-CE3 3.84Å; V12-W21 HydrophobicContact CG1-CG 4.33Å; V12-T114 WeakPolarHBondContact O-CG2 3.31Å
13C88.7Confident73Confident6 Ų662.1 Ų62.14%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-91.6111.6166-179.60000108.7Q19 W20 P110 M118C13-Q19 CarbonylContact O-C 3.5Å; C13-Q19 VanDerWaalsContact O-CA 3.26Å; C13-Q19 WeakPolarHBondContact O-CA 3.36Å; C13-W20 HydrophobicContact CB-CD2 4.22Å; C13-W20 HydrophobicContact CB-CG 4.26Å; C13-W20 HydrophobicContact CB-CZ2 4.2Å; C13-W20 PolarHBondContact N-O 3.3Å; C13-W20 PolarHBondContact O-N 3.32Å; C13-W20 PolarHBondContact SG-NE1 2.88Å; C13-W20 VanDerWaalsContact SG-NE1 3.37Å; C13-P110 HydrophobicContact CB-CB 4.02Å; C13-P110 VanDerWaalsContact SG-CA 3.6Å; C13-M118 HydrophobicContact CB-CE 3.71Å
14T89.1Confident75.2Confident112 Ų11257.7 Ų57.769%0.68734%0.336SS*.EExtended strand (participates in β ladder)trans-72.9136.5173-50.70000110.2
15T89.4Confident77.4Confident15 Ų1553.6 Ų53.69%0.09232%0.316CS..EExtended strand (participates in β ladder)trans-127.8165177.868.40000109.8W17 G18 Y108T15-W17 HydrophobicContact CG2-CH2 4.28Å; T15-W17 HydrophobicContact CG2-CZ2 4.02Å; T15-W17 PolarHBondContact O-N 3.1Å; T15-W17 VanDerWaalsContact O-N 3.14Å; T15-G18 CarbonylContact C-O 3.48Å; T15-G18 WeakPolarHBondContact CA-O 3.43Å; T15-G18 PolarHBondContact N-O 2.85Å; T15-G18 PolarHBondContact O-N 2.73Å; T15-G18 PolarHBondContact OG1-N 2.93Å; T15-G18 PolarHBondContact OG1-O 3.11Å; T15-Y108 HydrophobicContact CG2-CD1 3.8Å; T15-Y108 HydrophobicContact CG2-CG 4.22Å
16P87.7Confident79.8Confident131 Ų13153.5 Ų53.585%0.85130%0.303SS*.THydrogen-bonded Turntrans-61.5-21.8179.8-26.136000115.2
17W89.2Confident82.3Confident38 Ų3848.4 Ų48.414%0.14428%0.276CS..THydrogen-bonded Turntrans-107.70.4-176.747.6-107.4000113.4T15 I29 E30 I31 D32 L61 L102 Y108T15-W17 HydrophobicContact CG2-CH2 4.28Å; T15-W17 HydrophobicContact CG2-CZ2 4.02Å; T15-W17 PolarHBondContact O-N 3.1Å; T15-W17 VanDerWaalsContact O-N 3.14Å; W17-I29 HydrophobicContact CH2-CG2 3.39Å; W17-I29 HydrophobicContact CZ3-CG2 3.39Å; W17-E30 WeakPolarHBondContact CZ3-O 3.29Å; W17-I31 HydrophobicContact CB-CG2 4.4Å; W17-I31 HydrophobicContact CE3-CB 4.16Å; W17-I31 HydrophobicContact CE3-CD1 4.42Å; W17-I31 HydrophobicContact CE3-CG1 3.65Å; W17-I31 HydrophobicContact CE3-CG2 4.17Å; W17-I31 HydrophobicContact CZ3-CD1 4.48Å; W17-I31 HydrophobicContact CZ3-CG1 3.71Å; W17-I31 WeakPolarHBondContact O-CA 3.38Å; W17-D32 PolarHBondContact O-N 3.11Å; W17-L61 HydrophobicContact CH2-CD1 4.35Å; W17-L61 HydrophobicContact CH2-CD2 4.34Å; W17-L61 HydrophobicContact CZ2-CD1 3.73Å; W17-L102 HydrophobicContact CH2-CD2 3.84Å; W17-L102 HydrophobicContact CZ2-CD2 3.82Å; W17-Y108 AromaticContact CD1-CE1 3.89Å; W17-Y108 AromaticContact CE2-CE1 3.88Å; W17-Y108 HydrophobicContact CZ2-CD1 4.11Å; W17-Y108 HydrophobicContact CZ2-CD2 4.32Å; W17-Y108 HydrophobicContact CZ2-CE1 4.2Å; W17-Y108 HydrophobicContact CZ2-CE2 4.39Å; W17-Y108 HydrophobicContact CZ2-CG 4.17Å; W17-Y108 AromaticContact NE1-CD1 3.71Å; W17-Y108 AromaticContact NE1-CE1 3.01Å; W17-Y108 AromaticContact NE1-CZ 3.2Å; W17-Y108 PolarHBondContact NE1-OH 3.31Å
18G90.9Very high84.9Confident7 Ų742.1 Ų42.17%0.07224%0.242CC..EExtended strand (participates in β ladder)trans150.3-131.9-176.700000110.7T15 E30T15-G18 CarbonylContact C-O 3.48Å; T15-G18 WeakPolarHBondContact CA-O 3.43Å; T15-G18 PolarHBondContact N-O 2.85Å; T15-G18 PolarHBondContact O-N 2.73Å; T15-G18 PolarHBondContact OG1-N 2.93Å; T15-G18 PolarHBondContact OG1-O 3.11Å; G18-E30 CarbonylContact C-O 3.56Å; G18-E30 WeakPolarHBondContact CA-O 3.11Å
19Q93.3Very high87.1Confident60 Ų6037.9 Ų37.928%0.2822%0.224SC..EExtended strand (participates in β ladder)trans-154.6160.7-176.357.4-172.532.600111.9C13 W21 E30C13-Q19 CarbonylContact O-C 3.5Å; C13-Q19 VanDerWaalsContact O-CA 3.26Å; C13-Q19 WeakPolarHBondContact O-CA 3.36Å; Q19-W21 HydrophobicContact CG-CZ3 4.48Å; Q19-E30 HydrophobicContact CG-CB 3.95Å; Q19-E30 WeakPolarHBondContact CG-OE2 3.4Å; Q19-E30 PolarHBondContact N-O 2.76Å; Q19-E30 PolarHBondContact NE2-OE2 3.01Å; Q19-E30 PolarHBondContact O-N 2.8Å; Q19-E30 VanDerWaalsContact O-O 3.13Å
20W94Very high88.6Confident0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-142.6153.5171.773.6-85.9000110.9C13 Q22 V27 N28 I29 W99 L102 Y108 P110 M118C13-W20 HydrophobicContact CB-CD2 4.22Å; C13-W20 HydrophobicContact CB-CG 4.26Å; C13-W20 HydrophobicContact CB-CZ2 4.2Å; C13-W20 PolarHBondContact N-O 3.3Å; C13-W20 PolarHBondContact O-N 3.32Å; C13-W20 PolarHBondContact SG-NE1 2.88Å; C13-W20 VanDerWaalsContact SG-NE1 3.37Å; W20-Q22 HydrophobicContact CZ3-CB 4.35Å; W20-Q22 HydrophobicContact CZ3-CG 4.35Å; W20-V27 HydrophobicContact CE3-CG1 4.01Å; W20-V27 HydrophobicContact CZ3-CG1 4.4Å; W20-N28 CarbonylContact C-O 3.59Å; W20-N28 WeakPolarHBondContact CA-O 3.39Å; W20-N28 VanDerWaalsContact CB-O 3.3Å; W20-N28 WeakPolarHBondContact CB-O 3.48Å; W20-I29 HydrophobicContact CB-CB 4.4Å; W20-I29 HydrophobicContact CB-CG1 4.17Å; W20-I29 HydrophobicContact CB-CG2 4.38Å; W20-W99 HydrophobicContact CH2-CB 4.41Å; W20-W99 HydrophobicContact CZ3-CB 4.44Å; W20-L102 HydrophobicContact CD2-CB 4.39Å; W20-L102 HydrophobicContact CD2-CD1 4.18Å; W20-L102 HydrophobicContact CE3-CD1 4.3Å; W20-L102 HydrophobicContact CG-CD1 4.3Å; W20-L102 HydrophobicContact CG-CD2 4.47Å; W20-L102 HydrophobicContact CZ2-CB 4.4Å; W20-Y108 WeakPolarHBondContact CZ2-O 3.48Å; W20-Y108 PolarHBondContact NE1-O 2.89Å; W20-P110 HydrophobicContact CZ2-CG 4.28Å; W20-M118 HydrophobicContact CH2-SD 4.41Å
21W91.1Very high89.6Confident34 Ų3431.3 Ų31.313%0.12918%0.181CC..EExtended strand (participates in β ladder)trans-145.5177172.166.397.4000109.5F10 V12 Q19 N28 E30F10-W21 HydrophobicContact CB-CB 4.33Å; F10-W21 HydrophobicContact CB-CG 4.07Å; F10-W21 AromaticContact CD2-CD1 3.98Å; F10-W21 AromaticContact CD2-NE1 3.91Å; F10-W21 AromaticContact CG-CD1 3.89Å; V12-W21 HydrophobicContact CG1-CB 4.07Å; V12-W21 HydrophobicContact CG1-CD2 4.2Å; V12-W21 HydrophobicContact CG1-CE3 3.84Å; V12-W21 HydrophobicContact CG1-CG 4.33Å; Q19-W21 HydrophobicContact CG-CZ3 4.48Å; W21-N28 HydrophobicContact CD2-CB 3.71Å; W21-N28 HydrophobicContact CE3-CB 4.24Å; W21-N28 HydrophobicContact CG-CB 4.21Å; W21-N28 HydrophobicContact CH2-CB 3.93Å; W21-N28 HydrophobicContact CZ2-CB 3.39Å; W21-N28 HydrophobicContact CZ3-CB 4.33Å; W21-N28 PolarHBondContact N-O 2.78Å; W21-N28 PolarHBondContact O-N 2.81Å; W21-N28 VanDerWaalsContact O-O 3.08Å; W21-E30 VanDerWaalsContact CH2-CD 3.44Å; W21-E30 HydrophobicContact CH2-CG 3.66Å; W21-E30 WeakPolarHBondContact CH2-OE1 3.4Å; W21-E30 HydrophobicContact CZ3-CB 4.42Å; W21-E30 HydrophobicContact CZ3-CG 3.54Å
22Q88.9Confident90.1Very high6 Ų635.2 Ų35.23%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-143153-178.759.4179.1-4500111W20 E26 V27 W99 L122W20-Q22 HydrophobicContact CZ3-CB 4.35Å; W20-Q22 HydrophobicContact CZ3-CG 4.35Å; Q22-E26 CarbonylContact C-O 3.52Å; Q22-E26 WeakPolarHBondContact CA-O 3.33Å; Q22-V27 HydrophobicContact CB-CG2 4.26Å; Q22-W99 PolarHBondContact NE2-O 2.73Å; Q22-L122 HydrophobicContact CG-CD1 4.22Å; Q22-L122 HydrophobicContact CG-CD2 4.26Å
23T85.9Confident90.1Very high13 Ų1333.2 Ų33.28%0.0819%0.187CC..  trans-114.9178.4168.466.70000108.3F10 G25 E26 K90 L122 E125F10-T23 HydrophobicContact CD1-CG2 4.41Å; F10-T23 HydrophobicContact CE1-CG2 3.97Å; F10-T23 HydrophobicContact CE2-CG2 4.35Å; F10-T23 HydrophobicContact CZ-CG2 3.93Å; T23-G25 PolarHBondContact O-N 3.15Å; T23-G25 PolarHBondContact OG1-N 3.37Å; T23-E26 PolarHBondContact N-O 2.84Å; T23-E26 WeakPolarHBondContact OG1-CB 3.3Å; T23-E26 PolarHBondContact OG1-N 3.05Å; T23-E26 PolarHBondContact OG1-O 3.14Å; T23-K90 WeakPolarHBondContact O-CE 3.12Å; T23-K90 PolarHBondContact O-NZ 2.85Å; T23-L122 VanDerWaalsContact O-CD2 3.28Å; T23-L122 WeakPolarHBondContact O-CD2 3.48Å; T23-E125 WeakPolarHBondContact CA-OE2 3.48Å; T23-E125 WeakPolarHBondContact CB-OE1 3.45Å; T23-E125 VanDerWaalsContact CB-OE2 3.24Å; T23-E125 WeakPolarHBondContact CB-OE2 3.26Å
24V82.4Confident90Very high20 Ų2038.8 Ų38.812%0.12122%0.223CC..SBendtrans-59.6-37.1176.6173.60000110.8R95 L122 E125 R126V24-R95 HydrophobicContact CG1-CB 4.38Å; V24-R95 WeakPolarHBondContact O-CG 3.28Å; V24-L122 HydrophobicContact CG2-CD2 4.18Å; V24-L122 WeakPolarHBondContact CG2-O 3.25Å; V24-E125 HydrophobicContact CB-CG 4.43Å; V24-E125 HydrophobicContact CG2-CB 3.84Å; V24-E125 HydrophobicContact CG2-CG 3.87Å; V24-E125 PolarHBondContact N-OE1 2.79Å; V24-E125 PolarHBondContact N-OE2 2.9Å; V24-R126 HydrophobicContact CG2-CB 4.15Å
25G84.6Confident89.9Confident22 Ų2241 Ų4123%0.22722%0.223CC..SBendtrans-98.8-19.8-176.700000115.7T23 K90T23-G25 PolarHBondContact O-N 3.15Å; T23-G25 PolarHBondContact OG1-N 3.37Å; G25-K90 VanDerWaalsContact O-CB 3.24Å; G25-K90 WeakPolarHBondContact O-CB 3.1Å; G25-K90 PolarHBondContact O-N 2.76Å
26E89.3Confident89.9Confident69 Ų6945.2 Ų45.232%0.32225%0.251SS..EExtended strand (participates in β ladder)trans-141.8157.6-165.3-57.717317000112.4Q22 T23 L88 K90Q22-E26 CarbonylContact C-O 3.52Å; Q22-E26 WeakPolarHBondContact CA-O 3.33Å; T23-E26 PolarHBondContact N-O 2.84Å; T23-E26 WeakPolarHBondContact OG1-CB 3.3Å; T23-E26 PolarHBondContact OG1-N 3.05Å; T23-E26 PolarHBondContact OG1-O 3.14Å; E26-L88 CarbonylContact C-O 3.55Å; E26-L88 VanDerWaalsContact CA-O 3.25Å; E26-L88 WeakPolarHBondContact CA-O 3.49Å; E26-K90 WeakPolarHBondContact O-CE 3.41Å
27V92.1Very high90.1Very high0 Ų039.8 Ų39.80%022%0.216CC..EExtended strand (participates in β ladder)trans-119.9125.2168-178.40000108W20 Q22 I29 L88 K90 W99 L102W20-V27 HydrophobicContact CE3-CG1 4.01Å; W20-V27 HydrophobicContact CZ3-CG1 4.4Å; Q22-V27 HydrophobicContact CB-CG2 4.26Å; V27-I29 HydrophobicContact CG1-CG1 4.38Å; V27-L88 HydrophobicContact CB-CB 4.3Å; V27-L88 PolarHBondContact N-O 3.41Å; V27-L88 PolarHBondContact O-N 2.8Å; V27-K90 HydrophobicContact CG2-CD 4.3Å; V27-K90 HydrophobicContact CG2-CG 4.02Å; V27-W99 HydrophobicContact CG1-CE3 4.28Å; V27-W99 HydrophobicContact CG1-CZ3 4.33Å; V27-W99 HydrophobicContact CG2-CD2 3.63Å; V27-W99 HydrophobicContact CG2-CE3 3.87Å; V27-W99 HydrophobicContact CG2-CG 4.12Å; V27-W99 HydrophobicContact CG2-CH2 4.15Å; V27-W99 HydrophobicContact CG2-CZ2 3.96Å; V27-W99 HydrophobicContact CG2-CZ3 4.12Å; V27-L102 HydrophobicContact CG1-CD1 4Å
28N93.4Very high90.2Very high28 Ų2845 Ų4515%0.1524%0.239CC..EExtended strand (participates in β ladder)trans-111.2131-177.5-73.8-82.6000109.5W20 W21 I86W20-N28 CarbonylContact C-O 3.59Å; W20-N28 WeakPolarHBondContact CA-O 3.39Å; W20-N28 VanDerWaalsContact CB-O 3.3Å; W20-N28 WeakPolarHBondContact CB-O 3.48Å; W21-N28 HydrophobicContact CD2-CB 3.71Å; W21-N28 HydrophobicContact CE3-CB 4.24Å; W21-N28 HydrophobicContact CG-CB 4.21Å; W21-N28 HydrophobicContact CH2-CB 3.93Å; W21-N28 HydrophobicContact CZ2-CB 3.39Å; W21-N28 HydrophobicContact CZ3-CB 4.33Å; W21-N28 PolarHBondContact N-O 2.78Å; W21-N28 PolarHBondContact O-N 2.81Å; W21-N28 VanDerWaalsContact O-O 3.08Å; N28-I86 CarbonylContact C-O 3.59Å; N28-I86 WeakPolarHBondContact CA-O 3.35Å
29I94.8Very high90Very high1 Ų147 Ų471%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-127.8131.3-177.5-50165.6000108W17 W20 V27 I31 I51 L61 R85 I86 L88 L102W17-I29 HydrophobicContact CH2-CG2 3.39Å; W17-I29 HydrophobicContact CZ3-CG2 3.39Å; W20-I29 HydrophobicContact CB-CB 4.4Å; W20-I29 HydrophobicContact CB-CG1 4.17Å; W20-I29 HydrophobicContact CB-CG2 4.38Å; V27-I29 HydrophobicContact CG1-CG1 4.38Å; I29-I31 HydrophobicContact CG2-CG1 4.09Å; I29-I51 HydrophobicContact CD1-CD1 4.01Å; I29-L61 HydrophobicContact CD1-CD2 4.09Å; I29-L61 HydrophobicContact CG2-CD2 4Å; I29-R85 CarbonylContact O-C 3.42Å; I29-R85 VanDerWaalsContact O-CA 3.31Å; I29-R85 WeakPolarHBondContact O-CA 3.47Å; I29-I86 HydrophobicContact CB-CB 4.14Å; I29-I86 HydrophobicContact CB-CD1 4.44Å; I29-I86 HydrophobicContact CD1-CB 4.42Å; I29-I86 HydrophobicContact CG2-CD1 4.48Å; I29-I86 PolarHBondContact N-O 2.85Å; I29-I86 PolarHBondContact O-N 2.79Å; I29-L88 HydrophobicContact CD1-CD1 3.99Å; I29-L102 HydrophobicContact CD1-CD1 3.74Å; I29-L102 HydrophobicContact CD1-CD2 4.29Å; I29-L102 HydrophobicContact CG1-CD1 3.9Å
30E93.7Very high89.9Confident20 Ų2049.2 Ų49.29%0.09328%0.278CS..EExtended strand (participates in β ladder)trans-119.4123.2174.3-69.7-178.7165.100109.1W17 G18 Q19 W21 M83 L84 R85W17-E30 WeakPolarHBondContact CZ3-O 3.29Å; G18-E30 CarbonylContact C-O 3.56Å; G18-E30 WeakPolarHBondContact CA-O 3.11Å; Q19-E30 HydrophobicContact CG-CB 3.95Å; Q19-E30 WeakPolarHBondContact CG-OE2 3.4Å; Q19-E30 PolarHBondContact N-O 2.76Å; Q19-E30 PolarHBondContact NE2-OE2 3.01Å; Q19-E30 PolarHBondContact O-N 2.8Å; Q19-E30 VanDerWaalsContact O-O 3.13Å; W21-E30 VanDerWaalsContact CH2-CD 3.44Å; W21-E30 HydrophobicContact CH2-CG 3.66Å; W21-E30 WeakPolarHBondContact CH2-OE1 3.4Å; W21-E30 HydrophobicContact CZ3-CB 4.42Å; W21-E30 HydrophobicContact CZ3-CG 3.54Å; E30-M83 HydrophobicContact CB-CE 3.89Å; E30-M83 HydrophobicContact CG-CE 3.52Å; E30-M83 VanDerWaalsContact OE1-CE 3.23Å; E30-M83 WeakPolarHBondContact OE1-CE 3.15Å; E30-M83 WeakPolarHBondContact OE2-CE 3.27Å; E30-L84 CarbonylContact C-O 3.56Å; E30-L84 WeakPolarHBondContact CA-O 3.25Å; E30-R85 HydrophobicContact CG-CG 4.28Å; E30-R85 IonicContact OE1-CZ 2.9Å; E30-R85 IonicContact OE1-NH1 3.94Å; E30-R85 PolarHBondContact OE1-NH1 2.85Å; E30-R85 IonicContact OE1-NH2 3.93Å; E30-R85 PolarHBondContact OE1-NH2 3.04Å
31I93.5Very high89.7Confident2 Ų252.1 Ų52.11%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-115.5122.8178.3-48.4-176.9000108.6W17 I29 L61 L84 I86W17-I31 HydrophobicContact CB-CG2 4.4Å; W17-I31 HydrophobicContact CE3-CB 4.16Å; W17-I31 HydrophobicContact CE3-CD1 4.42Å; W17-I31 HydrophobicContact CE3-CG1 3.65Å; W17-I31 HydrophobicContact CE3-CG2 4.17Å; W17-I31 HydrophobicContact CZ3-CD1 4.48Å; W17-I31 HydrophobicContact CZ3-CG1 3.71Å; W17-I31 WeakPolarHBondContact O-CA 3.38Å; I29-I31 HydrophobicContact CG2-CG1 4.09Å; I31-L61 HydrophobicContact CD1-CB 3.6Å; I31-L61 HydrophobicContact CD1-CD2 3.84Å; I31-L61 HydrophobicContact CD1-CG 4.33Å; I31-L84 HydrophobicContact CB-CB 4.28Å; I31-L84 HydrophobicContact CD1-CD2 4.11Å; I31-L84 PolarHBondContact N-O 2.77Å; I31-L84 PolarHBondContact O-N 2.72Å; I31-I86 HydrophobicContact CD1-CD1 3.98Å
32D92.4Very high89.8Confident104 Ų10451.1 Ų51.156%0.55629%0.288SS*.EExtended strand (participates in β ladder)trans-79.8117.8172.7-70-52.6000109.7W17W17-D32 PolarHBondContact O-N 3.11Å
33I88.8Confident90Very high9 Ų955.3 Ų55.35%0.04631%0.314CS..  trans-96.6119.1178.3-53.5177.8000108.2K35 V37 I42 L60 L78 T82 L84I33-K35 VanDerWaalsContact CG2-O 3.25Å; I33-K35 WeakPolarHBondContact CG2-O 3.43Å; I33-K35 PolarHBondContact O-N 3.07Å; I33-K35 VanDerWaalsContact O-N 3.11Å; I33-V37 HydrophobicContact CD1-CG2 3.65Å; I33-V37 HydrophobicContact CG2-CG1 4.02Å; I33-V37 HydrophobicContact CG2-CG2 3.95Å; I33-I42 HydrophobicContact CD1-CD1 4.26Å; I33-L60 HydrophobicContact CD1-CD1 4.11Å; I33-L60 HydrophobicContact CG1-CD1 4.35Å; I33-L78 HydrophobicContact CD1-CD1 3.8Å; I33-T82 PolarHBondContact N-O 3.16Å; I33-L84 HydrophobicContact CD1-CB 3.88Å; I33-L84 HydrophobicContact CG1-CB 4.41Å
34P85.7Confident90.4Very high123 Ų12356.3 Ų56.380%0.79932%0.324SS*.SBendtrans-66-20.5-171.224.8-35.1000114
35K87.4Confident91Very high158 Ų15861.4 Ų61.469%0.68734%0.344SS*.SBendtrans-126.7143.2177.9-66.9-178.1-177.4174.60109.5I33 V37I33-K35 VanDerWaalsContact CG2-O 3.25Å; I33-K35 WeakPolarHBondContact CG2-O 3.43Å; I33-K35 PolarHBondContact O-N 3.07Å; I33-K35 VanDerWaalsContact O-N 3.11Å; K35-V37 WeakPolarHBondContact O-CG1 3.32Å; K35-V37 PolarHBondContact O-N 2.86Å; K35-V37 VanDerWaalsContact O-N 3.1Å
36P89.7Confident91.4Very high104 Ų10461.9 Ų61.968%0.67534%0.341SS*.  trans-59.6116.5172.4-22.232.7000110.4G81 T82P36-G81 CarbonylContact C-O 3.48Å; P36-G81 VanDerWaalsContact CA-O 3.3Å; P36-G81 WeakPolarHBondContact CA-O 3.4Å; P36-T82 HydrophobicContact CB-CG2 4.25Å; P36-T82 HydrophobicContact CG-CG2 3.93Å
37V90.9Very high91.6Very high18 Ų1862.1 Ų62.111%0.10934%0.344CS..  trans-112.7160177.9-64.80000109.9I33 K35 I42 V55 L78 G81I33-V37 HydrophobicContact CD1-CG2 3.65Å; I33-V37 HydrophobicContact CG2-CG1 4.02Å; I33-V37 HydrophobicContact CG2-CG2 3.95Å; K35-V37 WeakPolarHBondContact O-CG1 3.32Å; K35-V37 PolarHBondContact O-N 2.86Å; K35-V37 VanDerWaalsContact O-N 3.1Å; V37-I42 HydrophobicContact CG2-CD1 4.15Å; V37-I42 HydrophobicContact CG2-CG1 4.32Å; V37-V55 HydrophobicContact CB-CG2 3.89Å; V37-V55 HydrophobicContact CG1-CG2 3.61Å; V37-V55 HydrophobicContact CG2-CG2 4.12Å; V37-L78 HydrophobicContact CG2-CD1 4.28Å; V37-L78 HydrophobicContact CG2-CD2 4.25Å; V37-L78 WeakPolarHBondContact O-CD2 3.09Å; V37-G81 WeakPolarHBondContact CG2-O 3.49Å; V37-G81 PolarHBondContact N-O 2.82Å; V37-G81 VanDerWaalsContact O-CA 3.26Å; V37-G81 WeakPolarHBondContact O-CA 3.22Å
38K90.8Very high91.5Very high146 Ų14665.7 Ų65.764%0.63537%0.367SS*.  trans-94.1149.7172.2-66.3-178.9-178.8177.90109.4S40 Q41K38-S40 PolarHBondContact O-N 2.79Å; K38-S40 VanDerWaalsContact O-N 3.08Å; K38-Q41 HydrophobicContact CB-CG 4.39Å; K38-Q41 WeakPolarHBondContact O-CB 3.18Å; K38-Q41 PolarHBondContact O-N 2.78Å
39A88.5Confident91.4Very high51 Ų5165.7 Ų65.742%0.42137%0.374SS..G310 helixtrans-55.7-29.9174.400000112.4Q41 I42 W76 L78A39-Q41 PolarHBondContact O-N 3.33Å; A39-I42 PolarHBondContact O-N 3.33Å; A39-I42 VanDerWaalsContact O-N 3.16Å; A39-W76 HydrophobicContact CB-CH2 4.25Å; A39-W76 HydrophobicContact CB-CZ3 4.45Å; A39-L78 HydrophobicContact CB-CD2 4.18Å
40S89.7Confident91.4Very high106 Ų10670.4 Ų70.474%0.74140%0.395SS*.G310 helixtrans-67.4-18.6175.7620000114.8K38K38-S40 PolarHBondContact O-N 2.79Å; K38-S40 VanDerWaalsContact O-N 3.08Å
41Q90.3Very high91.4Very high60 Ų6069.6 Ų69.628%0.2839%0.391SS..G310 helixtrans-87.3-16.4176.1-66.1173.7-30.200111.7K38 A39 V55 D56K38-Q41 HydrophobicContact CB-CG 4.39Å; K38-Q41 WeakPolarHBondContact O-CB 3.18Å; K38-Q41 PolarHBondContact O-N 2.78Å; A39-Q41 PolarHBondContact O-N 3.33Å; Q41-V55 HydrophobicContact CB-CG2 4.04Å; Q41-V55 WeakPolarHBondContact O-CA 3.26Å; Q41-D56 WeakPolarHBondContact CB-OD1 3.36Å; Q41-D56 VanDerWaalsContact CG-OD1 3.28Å; Q41-D56 WeakPolarHBondContact CG-OD1 3.48Å; Q41-D56 PolarHBondContact O-N 3.23Å
42I92.6Very high91.4Very high13 Ų1370.7 Ų70.77%0.06740%0.401CS..EExtended strand (participates in β ladder)trans-87.6120.7-179.6-59.1179.3000108.6I33 V37 A39 A44 F53 S54 V55 W76 L78I33-I42 HydrophobicContact CD1-CD1 4.26Å; V37-I42 HydrophobicContact CG2-CD1 4.15Å; V37-I42 HydrophobicContact CG2-CG1 4.32Å; A39-I42 PolarHBondContact O-N 3.33Å; A39-I42 VanDerWaalsContact O-N 3.16Å; I42-A44 HydrophobicContact CG2-CB 4.39Å; I42-F53 HydrophobicContact CG2-CD1 4.26Å; I42-S54 CarbonylContact C-O 3.52Å; I42-S54 VanDerWaalsContact CA-O 3.29Å; I42-S54 WeakPolarHBondContact CA-O 3.47Å; I42-V55 HydrophobicContact CG1-CG2 4.25Å; I42-W76 HydrophobicContact CB-CH2 4.46Å; I42-W76 HydrophobicContact CD1-CZ3 4.33Å; I42-W76 HydrophobicContact CG2-CH2 4.45Å; I42-W76 HydrophobicContact CG2-CZ3 4.39Å; I42-L78 HydrophobicContact CD1-CB 4.48Å; I42-L78 HydrophobicContact CD1-CD1 3.88Å; I42-L78 HydrophobicContact CD1-CD2 3.82Å; I42-L78 HydrophobicContact CD1-CG 4.27Å
43V94.4Very high91.5Very high95 Ų9565.8 Ų65.858%0.57637%0.374SS*.EExtended strand (participates in β ladder)trans-98.2107.1166.9-179.10000107.2F53 S54V43-F53 WeakPolarHBondContact O-CA 3.33Å; V43-S54 PolarHBondContact N-O 2.8Å; V43-S54 PolarHBondContact O-N 3.01Å
44A93.5Very high91.7Very high33 Ų3366.7 Ų66.727%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-107.6129178.400000110.2I42 A52 F53 W76I42-A44 HydrophobicContact CG2-CB 4.39Å; A44-A52 CarbonylContact C-O 3.44Å; A44-F53 HydrophobicContact CB-CD1 3.58Å; A44-F53 HydrophobicContact CB-CE1 3.3Å; A44-F53 HydrophobicContact CB-CG 4.45Å; A44-F53 HydrophobicContact CB-CZ 3.95Å; A44-W76 HydrophobicContact CB-CD2 4.23Å; A44-W76 HydrophobicContact CB-CG 4.39Å; A44-W76 HydrophobicContact CB-CZ2 4.08Å
45K94.3Very high92Very high127 Ų12761.3 Ų61.355%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-132.4110.2174.8-170.8176.7-174.6-178.90108.7L47 I51 A52K45-L47 HydrophobicContact CG-CG 4.37Å; K45-I51 CarbonylContact O-C 3.57Å; K45-I51 WeakPolarHBondContact O-CA 3.08Å; K45-A52 HydrophobicContact CB-CB 4.35Å; K45-A52 PolarHBondContact N-O 3.34Å; K45-A52 PolarHBondContact O-N 2.82Å
46I94.2Very high92.1Very high32 Ų3259.4 Ų59.416%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-106.9122.2175.5-54.7175.7000107.4I51 F53 A71 I86 L88I46-I51 HydrophobicContact CG2-CG2 4.19Å; I46-F53 HydrophobicContact CD1-CZ 4.02Å; I46-F53 HydrophobicContact CG1-CE2 4.04Å; I46-F53 HydrophobicContact CG1-CZ 3.93Å; I46-A71 HydrophobicContact CG2-CB 4.08Å; I46-I86 HydrophobicContact CD1-CG2 4.48Å; I46-L88 HydrophobicContact CD1-CD2 4.33Å; I46-L88 HydrophobicContact CG2-CD2 3.95Å
47L93.6Very high92Very high75 Ų7557.8 Ų57.839%0.39335%0.345SS..EExtended strand (participates in β ladder)trans-120.7158.6173.9-64.3175.1000108.8K45 G49 K50K45-L47 HydrophobicContact CG-CG 4.37Å; L47-G49 PolarHBondContact O-N 2.78Å; L47-K50 CarbonylContact C-O 3.55Å; L47-K50 WeakPolarHBondContact CA-O 3.39Å; L47-K50 HydrophobicContact CB-CB 4.32Å; L47-K50 WeakPolarHBondContact CB-O 3.43Å; L47-K50 HydrophobicContact CD1-CB 4.43Å; L47-K50 PolarHBondContact N-O 3.29Å; L47-K50 PolarHBondContact O-N 3.31Å
48P90.3Very high92Very high74 Ų7463.4 Ų63.448%0.48137%0.371SS..THydrogen-bonded Turntrans-54.8-29.5-177.5-29.636.1000115P68 V69 A71P48-P68 CarbonylContact O-C 3.45Å; P48-P68 WeakPolarHBondContact O-CA 3.46Å; P48-V69 WeakPolarHBondContact CA-O 3.31Å; P48-V69 PolarHBondContact O-N 2.89Å; P48-A71 HydrophobicContact CG-CB 4.33Å
49G90.8Very high92Very high29 Ų2960.3 Ų60.330%0.29936%0.364SS..THydrogen-bonded Turntrans-119.22.3176.900000114.8L47 L65L47-G49 PolarHBondContact O-N 2.78Å; G49-L65 PolarHBondContact O-N 2.96Å
50K93.7Very high92.1Very high99 Ų9959.3 Ų59.343%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-147.4146.2-171.9-60.4-166.5175.7-155.50111.1L47 G63 E64L47-K50 CarbonylContact C-O 3.55Å; L47-K50 WeakPolarHBondContact CA-O 3.39Å; L47-K50 HydrophobicContact CB-CB 4.32Å; L47-K50 WeakPolarHBondContact CB-O 3.43Å; L47-K50 HydrophobicContact CD1-CB 4.43Å; L47-K50 PolarHBondContact N-O 3.29Å; L47-K50 PolarHBondContact O-N 3.31Å; K50-G63 WeakPolarHBondContact CA-O 3.42Å; K50-E64 WeakPolarHBondContact CE-OE2 3.38Å; K50-E64 HydrophobicContact CG-CB 4.43Å; K50-E64 HydrophobicContact CG-CG 4.33Å; K50-E64 IonicContact NZ-OE2 2.94Å; K50-E64 PolarHBondContact NZ-OE2 2.79Å
51I94.5Very high92.2Very high3 Ų354.4 Ų54.42%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-127.8146.2170.359.2171.1000110I29 K45 I46 F53 L61 E62 G63 L65 L88 F103I29-I51 HydrophobicContact CD1-CD1 4.01Å; K45-I51 CarbonylContact O-C 3.57Å; K45-I51 WeakPolarHBondContact O-CA 3.08Å; I46-I51 HydrophobicContact CG2-CG2 4.19Å; I51-F53 HydrophobicContact CB-CD2 4.43Å; I51-F53 HydrophobicContact CB-CE2 4.27Å; I51-L61 HydrophobicContact CD1-CD2 3.59Å; I51-L61 HydrophobicContact CD1-CG 4.04Å; I51-E62 WeakPolarHBondContact O-CA 3.33Å; I51-G63 PolarHBondContact N-O 2.95Å; I51-G63 PolarHBondContact O-N 3Å; I51-L65 HydrophobicContact CB-CD2 4.46Å; I51-L65 HydrophobicContact CD1-CD2 3.88Å; I51-L65 HydrophobicContact CG1-CD2 3.81Å; I51-L65 HydrophobicContact CG1-CG 4.5Å; I51-L65 HydrophobicContact CG2-CD1 3.93Å; I51-L65 HydrophobicContact CG2-CD2 3.91Å; I51-L65 HydrophobicContact CG2-CG 4.12Å; I51-L88 HydrophobicContact CG2-CD1 4.31Å; I51-L88 HydrophobicContact CG2-CD2 4.16Å; I51-F103 HydrophobicContact CD1-CE1 3.9Å; I51-F103 HydrophobicContact CD1-CZ 4.24Å; I51-F103 HydrophobicContact CG1-CE1 3.82Å; I51-F103 HydrophobicContact CG1-CZ 4.26Å
52A94.4Very high92.4Very high26 Ų2657.5 Ų57.522%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-143.7118.3171.900000109.5A44 K45 L61 E62A44-A52 CarbonylContact C-O 3.44Å; K45-A52 HydrophobicContact CB-CB 4.35Å; K45-A52 PolarHBondContact N-O 3.34Å; K45-A52 PolarHBondContact O-N 2.82Å; A52-L61 CarbonylContact C-O 3.42Å; A52-L61 WeakPolarHBondContact CA-O 3.14Å; A52-E62 HydrophobicContact CB-CB 4.41Å; A52-E62 HydrophobicContact CB-CG 3.99Å
53F94.4Very high92.4Very high1 Ų157.9 Ų57.90%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-122.4125.4175.7-75.4-98.4000108I42 V43 A44 I46 I51 L60 L61 W76 L84 I86I42-F53 HydrophobicContact CG2-CD1 4.26Å; V43-F53 WeakPolarHBondContact O-CA 3.33Å; A44-F53 HydrophobicContact CB-CD1 3.58Å; A44-F53 HydrophobicContact CB-CE1 3.3Å; A44-F53 HydrophobicContact CB-CG 4.45Å; A44-F53 HydrophobicContact CB-CZ 3.95Å; I46-F53 HydrophobicContact CD1-CZ 4.02Å; I46-F53 HydrophobicContact CG1-CE2 4.04Å; I46-F53 HydrophobicContact CG1-CZ 3.93Å; I51-F53 HydrophobicContact CB-CD2 4.43Å; I51-F53 HydrophobicContact CB-CE2 4.27Å; F53-L60 HydrophobicContact CB-CB 4.4Å; F53-L60 PolarHBondContact O-N 2.86Å; F53-L61 HydrophobicContact CB-CB 4.46Å; F53-L61 PolarHBondContact N-O 3.45Å; F53-L61 PolarHBondContact O-N 3.18Å; F53-L61 VanDerWaalsContact O-N 3.11Å; F53-W76 HydrophobicContact CE1-CB 3.83Å; F53-W76 HydrophobicContact CE1-CD2 4.17Å; F53-W76 AromaticContact CE1-CG 3.74Å; F53-W76 HydrophobicContact CE1-CG 3.74Å; F53-W76 HydrophobicContact CZ-CB 4Å; F53-W76 HydrophobicContact CZ-CG 4.14Å; F53-L84 HydrophobicContact CB-CD2 4.42Å; F53-L84 HydrophobicContact CD1-CD1 4.5Å; F53-L84 HydrophobicContact CD1-CD2 3.71Å; F53-L84 HydrophobicContact CE1-CD1 4.38Å; F53-L84 HydrophobicContact CE1-CD2 4.31Å; F53-L84 HydrophobicContact CG-CD2 4.29Å; F53-I86 HydrophobicContact CD1-CD1 4.17Å; F53-I86 HydrophobicContact CD2-CD1 3.7Å; F53-I86 HydrophobicContact CE1-CD1 3.97Å; F53-I86 HydrophobicContact CE1-CG1 3.97Å; F53-I86 HydrophobicContact CE2-CD1 3.52Å; F53-I86 HydrophobicContact CE2-CG1 4.08Å; F53-I86 HydrophobicContact CE2-CG2 4.09Å; F53-I86 HydrophobicContact CG-CD1 4.03Å; F53-I86 HydrophobicContact CZ-CB 4.43Å; F53-I86 HydrophobicContact CZ-CD1 3.65Å; F53-I86 HydrophobicContact CZ-CG1 3.71Å; F53-I86 HydrophobicContact CZ-CG2 3.86Å
54S93.3Very high92.3Very high27 Ų2758.3 Ų58.319%0.18933%0.334CS..EExtended strand (participates in β ladder)trans-136.8153.1175.359.20000110.6I42 V43 Q58I42-S54 CarbonylContact C-O 3.52Å; I42-S54 VanDerWaalsContact CA-O 3.29Å; I42-S54 WeakPolarHBondContact CA-O 3.47Å; V43-S54 PolarHBondContact N-O 2.8Å; V43-S54 PolarHBondContact O-N 3.01Å; S54-Q58 CarbonylContact C-O 3.43Å; S54-Q58 WeakPolarHBondContact CA-O 3.23Å; S54-Q58 VanDerWaalsContact CB-O 3.31Å; S54-Q58 WeakPolarHBondContact CB-O 3.38Å
55V91.8Very high92.3Very high10 Ų1057 Ų576%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-127.6122177.966.10000110V37 Q41 I42 G57 Q58 L60V37-V55 HydrophobicContact CB-CG2 3.89Å; V37-V55 HydrophobicContact CG1-CG2 3.61Å; V37-V55 HydrophobicContact CG2-CG2 4.12Å; Q41-V55 HydrophobicContact CB-CG2 4.04Å; Q41-V55 WeakPolarHBondContact O-CA 3.26Å; I42-V55 HydrophobicContact CG1-CG2 4.25Å; V55-G57 PolarHBondContact O-N 3.33Å; V55-Q58 HydrophobicContact CG1-CB 4.48Å; V55-Q58 PolarHBondContact N-O 3.42Å; V55-Q58 WeakPolarHBondContact O-CB 3.13Å; V55-Q58 PolarHBondContact O-N 2.78Å; V55-L60 HydrophobicContact CB-CD1 3.96Å; V55-L60 HydrophobicContact CB-CG 4.23Å; V55-L60 HydrophobicContact CG1-CD1 3.9Å; V55-L60 HydrophobicContact CG1-CD2 3.71Å; V55-L60 HydrophobicContact CG1-CG 3.75Å
56D88.9Confident92.1Very high119 Ų11954.7 Ų54.764%0.63631%0.312SS*.THydrogen-bonded Turntrans47.734.8-176-67.8-31.5000113.3Q41Q41-D56 WeakPolarHBondContact CB-OD1 3.36Å; Q41-D56 VanDerWaalsContact CG-OD1 3.28Å; Q41-D56 WeakPolarHBondContact CG-OD1 3.48Å; Q41-D56 PolarHBondContact O-N 3.23Å
57G86.9Confident91.9Very high69 Ų6953.9 Ų53.971%0.71131%0.311SS*.THydrogen-bonded Turntrans86.7-8.1-178.200000115.9V55V55-G57 PolarHBondContact O-N 3.33Å
58Q90.4Very high91.7Very high137 Ų13753.1 Ų53.164%0.6431%0.31SS*.EExtended strand (participates in β ladder)trans-84.9122.8172.1-176.1175.410.200110.4S54 V55 L60S54-Q58 CarbonylContact C-O 3.43Å; S54-Q58 WeakPolarHBondContact CA-O 3.23Å; S54-Q58 VanDerWaalsContact CB-O 3.31Å; S54-Q58 WeakPolarHBondContact CB-O 3.38Å; V55-Q58 HydrophobicContact CG1-CB 4.48Å; V55-Q58 PolarHBondContact N-O 3.42Å; V55-Q58 WeakPolarHBondContact O-CB 3.13Å; V55-Q58 PolarHBondContact O-N 2.78Å; Q58-L60 PolarHBondContact O-N 2.87Å
59V91.6Very high91.8Very high80 Ų8049.8 Ų49.849%0.48529%0.288SS..EExtended strand (participates in β ladder)trans-67.4122.2176.3-179.10000109.7E62V59-E62 HydrophobicContact CG1-CB 3.54Å
60L90.5Very high91.8Very high30 Ų3052.2 Ų52.216%0.15729%0.292CS..EExtended strand (participates in β ladder)trans-88.2-47.7172.8-69.3178.6000110.6I33 F53 V55 Q58 L84I33-L60 HydrophobicContact CD1-CD1 4.11Å; I33-L60 HydrophobicContact CG1-CD1 4.35Å; F53-L60 HydrophobicContact CB-CB 4.4Å; F53-L60 PolarHBondContact O-N 2.86Å; V55-L60 HydrophobicContact CB-CD1 3.96Å; V55-L60 HydrophobicContact CB-CG 4.23Å; V55-L60 HydrophobicContact CG1-CD1 3.9Å; V55-L60 HydrophobicContact CG1-CD2 3.71Å; V55-L60 HydrophobicContact CG1-CG 3.75Å; Q58-L60 PolarHBondContact O-N 2.87Å; L60-L84 HydrophobicContact CD1-CD2 4.11Å
61L93Very high91.6Very high3 Ų348.8 Ų48.82%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-154.7119.6-179.7-176.565.6000109.5W17 I29 I31 I51 A52 F53 I86 L102 F103 Y108W17-L61 HydrophobicContact CH2-CD1 4.35Å; W17-L61 HydrophobicContact CH2-CD2 4.34Å; W17-L61 HydrophobicContact CZ2-CD1 3.73Å; I29-L61 HydrophobicContact CD1-CD2 4.09Å; I29-L61 HydrophobicContact CG2-CD2 4Å; I31-L61 HydrophobicContact CD1-CB 3.6Å; I31-L61 HydrophobicContact CD1-CD2 3.84Å; I31-L61 HydrophobicContact CD1-CG 4.33Å; I51-L61 HydrophobicContact CD1-CD2 3.59Å; I51-L61 HydrophobicContact CD1-CG 4.04Å; A52-L61 CarbonylContact C-O 3.42Å; A52-L61 WeakPolarHBondContact CA-O 3.14Å; F53-L61 HydrophobicContact CB-CB 4.46Å; F53-L61 PolarHBondContact N-O 3.45Å; F53-L61 PolarHBondContact O-N 3.18Å; F53-L61 VanDerWaalsContact O-N 3.11Å; L61-I86 HydrophobicContact CD2-CD1 4.22Å; L61-L102 HydrophobicContact CD1-CD2 4.45Å; L61-L102 HydrophobicContact CD2-CD2 4.44Å; L61-F103 HydrophobicContact CD1-CE2 3.75Å; L61-F103 HydrophobicContact CD1-CZ 3.49Å; L61-F103 VanDerWaalsContact CD1-CZ 3.49Å; L61-F103 HydrophobicContact CD2-CZ 4.49Å; L61-F103 HydrophobicContact CG-CZ 3.85Å; L61-Y108 HydrophobicContact CD1-CE2 4.37Å
62E93.4Very high91.4Very high125 Ų12558 Ų5858%0.58433%0.325SS*.EExtended strand (participates in β ladder)trans-141.4134.7176.4-178.7173.4-164.400109.2I51 A52 V59I51-E62 WeakPolarHBondContact O-CA 3.33Å; A52-E62 HydrophobicContact CB-CB 4.41Å; A52-E62 HydrophobicContact CB-CG 3.99Å; V59-E62 HydrophobicContact CG1-CB 3.54Å
63G92.3Very high91.2Very high21 Ų2162.1 Ų62.122%0.21634%0.339CS..EExtended strand (participates in β ladder)trans176.1169-179.900000114.1K50 I51K50-G63 WeakPolarHBondContact CA-O 3.42Å; I51-G63 PolarHBondContact N-O 2.95Å; I51-G63 PolarHBondContact O-N 3Å
64E93.6Very high91.1Very high104 Ų10462.6 Ų62.649%0.48634%0.343SS..EExtended strand (participates in β ladder)trans-88.2120.6171.8-173.3155.7172.300109K50 F103 A104K50-E64 WeakPolarHBondContact CE-OE2 3.38Å; K50-E64 HydrophobicContact CG-CB 4.43Å; K50-E64 HydrophobicContact CG-CG 4.33Å; K50-E64 IonicContact NZ-OE2 2.94Å; K50-E64 PolarHBondContact NZ-OE2 2.79Å; E64-F103 CarbonylContact O-C 3.51Å; E64-F103 WeakPolarHBondContact O-CA 3.22Å; E64-F103 VanDerWaalsContact O-CB 3.22Å; E64-F103 WeakPolarHBondContact O-CB 3.24Å; E64-F103 VanDerWaalsContact O-CD1 3.32Å; E64-F103 WeakPolarHBondContact O-CD1 3.39Å; E64-A104 HydrophobicContact CG-CB 4.25Å; E64-A104 PolarHBondContact O-N 3.41Å
65L93Very high91.1Very high7 Ų764.9 Ų64.94%0.03736%0.356CS..BIsolated β-bridgetrans-64.9146.3-176.4-66.5176.4000110.7G49 I51 A67 V69 L88 W99 F103G49-L65 PolarHBondContact O-N 2.96Å; I51-L65 HydrophobicContact CB-CD2 4.46Å; I51-L65 HydrophobicContact CD1-CD2 3.88Å; I51-L65 HydrophobicContact CG1-CD2 3.81Å; I51-L65 HydrophobicContact CG1-CG 4.5Å; I51-L65 HydrophobicContact CG2-CD1 3.93Å; I51-L65 HydrophobicContact CG2-CD2 3.91Å; I51-L65 HydrophobicContact CG2-CG 4.12Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 2.77Å; L65-V69 HydrophobicContact CD1-CB 4.27Å; L65-V69 HydrophobicContact CD1-CG1 3.8Å; L65-V69 HydrophobicContact CD1-CG2 3.45Å; L65-V69 VanDerWaalsContact CD1-CG2 3.45Å; L65-L88 HydrophobicContact CD1-CD1 4.14Å; L65-L88 HydrophobicContact CD2-CD1 3.73Å; L65-W99 HydrophobicContact CB-CH2 3.8Å; L65-W99 HydrophobicContact CB-CZ3 4.27Å; L65-W99 HydrophobicContact CD1-CH2 4.25Å; L65-W99 HydrophobicContact CD2-CH2 3.92Å; L65-W99 HydrophobicContact CD2-CZ3 4.01Å; L65-W99 HydrophobicContact CG-CH2 4.21Å; L65-F103 HydrophobicContact CD2-CD1 4.39Å; L65-F103 HydrophobicContact CD2-CE1 4.22Å
66F89.6Confident91.3Very high78 Ų7868.5 Ų68.534%0.34237%0.368SS..SBendtrans-57.7-40.1178177.7-96.5000112.9W99 S100 S101 L102F66-W99 HydrophobicContact CB-CD2 3.94Å; F66-W99 HydrophobicContact CB-CE3 3.75Å; F66-W99 HydrophobicContact CB-CG 4.38Å; F66-W99 HydrophobicContact CB-CZ3 4.2Å; F66-W99 HydrophobicContact CD1-CB 4Å; F66-W99 AromaticContact CD1-CD1 3.99Å; F66-W99 HydrophobicContact CD1-CD2 4.14Å; F66-W99 AromaticContact CD1-CG 3.79Å; F66-W99 HydrophobicContact CD1-CG 3.79Å; F66-W99 HydrophobicContact CG-CD2 4.48Å; F66-W99 HydrophobicContact CG-CG 4.44Å; F66-S100 WeakPolarHBondContact CE2-OG 3.3Å; F66-S100 WeakPolarHBondContact CZ-OG 3.14Å; F66-S101 VanDerWaalsContact CB-O 3.22Å; F66-S101 WeakPolarHBondContact CB-O 3.5Å; F66-S101 WeakPolarHBondContact CD2-OG 3.24Å; F66-L102 PolarHBondContact N-O 2.93Å
67A89.3Confident91.5Very high15 Ų1566.1 Ų66.112%0.12436%0.358CS..SBendtrans-138.6161.8177.600000111.2L65 W99L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 2.77Å; A67-W99 HydrophobicContact CB-CZ2 3.98Å; A67-W99 VanDerWaalsContact O-CZ2 3.27Å; A67-W99 WeakPolarHBondContact O-CZ2 3.49Å
68P89.7Confident91.8Very high58 Ų5864.8 Ų64.838%0.37734%0.335SS..  trans-67145-18026.2-32.9000112.6P48 A91P48-P68 CarbonylContact O-C 3.45Å; P48-P68 WeakPolarHBondContact O-CA 3.46Å; P68-A91 HydrophobicContact CB-CB 4.19Å; P68-A91 HydrophobicContact CG-CB 4.1Å; P68-A91 WeakPolarHBondContact O-CB 3.44Å; P68-A91 PolarHBondContact O-N 3.37Å
69V91.8Very high91.9Very high5 Ų562.2 Ų62.23%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-123.9154.2179.4-59.90000111.2P48 L65 A71 L88 S89 W99P48-V69 WeakPolarHBondContact CA-O 3.31Å; P48-V69 PolarHBondContact O-N 2.89Å; L65-V69 HydrophobicContact CD1-CB 4.27Å; L65-V69 HydrophobicContact CD1-CG1 3.8Å; L65-V69 HydrophobicContact CD1-CG2 3.45Å; L65-V69 VanDerWaalsContact CD1-CG2 3.45Å; V69-A71 PolarHBondContact O-N 2.84Å; V69-A71 VanDerWaalsContact O-N 3.14Å; V69-L88 HydrophobicContact CB-CB 4.4Å; V69-L88 HydrophobicContact CG1-CB 3.98Å; V69-L88 HydrophobicContact CG1-CD1 4.49Å; V69-S89 CarbonylContact C-O 3.6Å; V69-S89 WeakPolarHBondContact CA-O 3.16Å; V69-S89 WeakPolarHBondContact CB-O 3.3Å; V69-W99 HydrophobicContact CG1-CH2 3.87Å; V69-W99 HydrophobicContact CG1-CZ2 3.72Å
70H91.7Very high91.7Very high79 Ų7968 Ų6837%0.36634%0.341SS..EExtended strand (participates in β ladder)trans-77.692.5167.8-71-69000108.9E72 E73 S74 S89 A91H70-E72 PolarHBondContact O-N 2.76Å; H70-E73 HydrophobicContact CB-CB 3.94Å; H70-E73 HydrophobicContact CB-CG 4.09Å; H70-E73 IonicContact CD2-OE2 3.81Å; H70-E73 IonicContact CG-OE2 3.35Å; H70-E73 PolarHBondContact O-N 3.45Å; H70-E73 VanDerWaalsContact O-N 3.08Å; H70-S74 PolarHBondContact O-N 2.56Å; H70-S74 PolarHBondContact O-OG 3.35Å; H70-S89 PolarHBondContact N-O 2.95Å; H70-A91 WeakPolarHBondContact NE2-CA 3.44Å
71A90.3Very high91.5Very high27 Ų2767 Ų6722%0.22334%0.338CS..EExtended strand (participates in β ladder)trans-57.6-32.3-177.900000113.2I46 P48 V69 S74I46-A71 HydrophobicContact CG2-CB 4.08Å; P48-A71 HydrophobicContact CG-CB 4.33Å; V69-A71 PolarHBondContact O-N 2.84Å; V69-A71 VanDerWaalsContact O-N 3.14Å; A71-S74 PolarHBondContact O-N 2.94Å
72E89.8Confident91.3Very high196 Ų19669.6 Ų69.692%0.91635%0.354SS*.EExtended strand (participates in β ladder)trans-72.8-29.1178.1-63.8-177.1178.500113.3H70H70-E72 PolarHBondContact O-N 2.76Å
73E89.9Confident91.3Very high113 Ų11365 Ų6553%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-91.2-6.9176.1-64.4-178173.300112.4H70 S89H70-E73 HydrophobicContact CB-CB 3.94Å; H70-E73 HydrophobicContact CB-CG 4.09Å; H70-E73 IonicContact CD2-OE2 3.81Å; H70-E73 IonicContact CG-OE2 3.35Å; H70-E73 PolarHBondContact O-N 3.45Å; H70-E73 VanDerWaalsContact O-N 3.08Å; E73-S89 PolarHBondContact OE2-OG 2.9Å
74S92.1Very high91.3Very high12 Ų1264 Ų648%0.08432%0.323CS..EExtended strand (participates in β ladder)trans-83.1133.5178.9-59.70000109.9H70 A71 M87 L88 S89H70-S74 PolarHBondContact O-N 2.56Å; H70-S74 PolarHBondContact O-OG 3.35Å; A71-S74 PolarHBondContact O-N 2.94Å; S74-M87 CarbonylContact C-O 3.46Å; S74-M87 WeakPolarHBondContact CA-O 3.09Å; S74-M87 WeakPolarHBondContact CB-O 3.33Å; S74-L88 WeakPolarHBondContact OG-CA 3.35Å; S74-S89 PolarHBondContact OG-N 3.47Å
75V94.6Very high91.3Very high74 Ų7462.9 Ų62.945%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-126151.5-177.3-63.20000110.4M87V75-M87 HydrophobicContact CG2-CB 3.85Å; V75-M87 HydrophobicContact CG2-CE 3.89Å; V75-M87 HydrophobicContact CG2-SD 3.97Å; V75-M87 PolarHBondContact N-O 2.76Å; V75-M87 PolarHBondContact O-N 2.73Å
76W94.8Very high91.4Very high87 Ų8762.6 Ų62.633%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-131.1145.517065-87.8000109.5A39 I42 A44 F53 L78 L84 R85 I86A39-W76 HydrophobicContact CB-CH2 4.25Å; A39-W76 HydrophobicContact CB-CZ3 4.45Å; I42-W76 HydrophobicContact CB-CH2 4.46Å; I42-W76 HydrophobicContact CD1-CZ3 4.33Å; I42-W76 HydrophobicContact CG2-CH2 4.45Å; I42-W76 HydrophobicContact CG2-CZ3 4.39Å; A44-W76 HydrophobicContact CB-CD2 4.23Å; A44-W76 HydrophobicContact CB-CG 4.39Å; A44-W76 HydrophobicContact CB-CZ2 4.08Å; F53-W76 HydrophobicContact CE1-CB 3.83Å; F53-W76 HydrophobicContact CE1-CD2 4.17Å; F53-W76 AromaticContact CE1-CG 3.74Å; F53-W76 HydrophobicContact CE1-CG 3.74Å; F53-W76 HydrophobicContact CZ-CB 4Å; F53-W76 HydrophobicContact CZ-CG 4.14Å; W76-L78 HydrophobicContact CZ3-CB 4.44Å; W76-L84 HydrophobicContact CB-CD1 4.28Å; W76-L84 HydrophobicContact CD2-CD1 4.42Å; W76-L84 HydrophobicContact CE3-CD1 3.64Å; W76-L84 HydrophobicContact CZ3-CD1 4.4Å; W76-R85 CarbonylContact C-O 3.57Å; W76-R85 WeakPolarHBondContact CA-O 3.38Å; W76-R85 WeakPolarHBondContact CB-O 3.19Å; W76-I86 HydrophobicContact CB-CG1 4.19Å; W76-I86 HydrophobicContact CB-CG2 4.46Å
77T93.9Very high91.7Very high69 Ų6961.2 Ų61.242%0.42331%0.308SS..EExtended strand (participates in β ladder)trans-134.4144.3-179.462.20000110L84 R85T77-L84 WeakPolarHBondContact O-CA 3.18Å; T77-R85 PolarHBondContact N-O 2.61Å; T77-R85 PolarHBondContact O-N 3.01Å
78L93.6Very high91.8Very high41 Ų4160.5 Ų60.522%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-110.7109.2176.1179.866.3000109I33 V37 A39 I42 W76 M83 L84I33-L78 HydrophobicContact CD1-CD1 3.8Å; V37-L78 HydrophobicContact CG2-CD1 4.28Å; V37-L78 HydrophobicContact CG2-CD2 4.25Å; V37-L78 WeakPolarHBondContact O-CD2 3.09Å; A39-L78 HydrophobicContact CB-CD2 4.18Å; I42-L78 HydrophobicContact CD1-CB 4.48Å; I42-L78 HydrophobicContact CD1-CD1 3.88Å; I42-L78 HydrophobicContact CD1-CD2 3.82Å; I42-L78 HydrophobicContact CD1-CG 4.27Å; W76-L78 HydrophobicContact CZ3-CB 4.44Å; L78-M83 CarbonylContact C-O 3.55Å; L78-L84 HydrophobicContact CD1-CB 4.46Å
79E90.5Very high91.9Very high82 Ų8258.3 Ų58.338%0.38329%0.288SS..EExtended strand (participates in β ladder)trans-91.6122.6179.4-67.8-173.217400110.8G81 T82 M83 R85E79-G81 PolarHBondContact O-N 2.74Å; E79-T82 PolarHBondContact O-N 3.02Å; E79-M83 HydrophobicContact CB-CB 4.26Å; E79-M83 PolarHBondContact N-O 3.14Å; E79-M83 PolarHBondContact O-N 3.2Å; E79-M83 VanDerWaalsContact O-N 3.15Å; E79-R85 VanDerWaalsContact OE1-CD 3.3Å; E79-R85 WeakPolarHBondContact OE1-CD 3.2Å; E79-R85 IonicContact OE1-CZ 3.18Å; E79-R85 IonicContact OE1-NE 3.57Å; E79-R85 PolarHBondContact OE1-NE 3.26Å; E79-R85 IonicContact OE2-CZ 2.81Å; E79-R85 IonicContact OE2-NE 2.56Å; E79-R85 PolarHBondContact OE2-NE 3.46Å; E79-R85 IonicContact OE2-NH2 3.45Å; E79-R85 PolarHBondContact OE2-NH2 2.83Å
80K88.1Confident91.8Very high201 Ų20158.3 Ų58.387%0.87429%0.288SS*.THydrogen-bonded Turntrans53.613.7177.6-56.7177.9-176.1172.40114.8T82K80-T82 PolarHBondContact O-N 3.08Å
81G86.2Confident91.5Very high9 Ų955.1 Ų55.19%0.09328%0.275CS..THydrogen-bonded Turntrans75.8-1.5-175.200000115P36 V37 E79P36-G81 CarbonylContact C-O 3.48Å; P36-G81 VanDerWaalsContact CA-O 3.3Å; P36-G81 WeakPolarHBondContact CA-O 3.4Å; V37-G81 WeakPolarHBondContact CG2-O 3.49Å; V37-G81 PolarHBondContact N-O 2.82Å; V37-G81 VanDerWaalsContact O-CA 3.26Å; V37-G81 WeakPolarHBondContact O-CA 3.22Å; E79-G81 PolarHBondContact O-N 2.74Å
82T90.3Very high90.5Very high58 Ų5857.3 Ų57.336%0.35629%0.288SS..THydrogen-bonded Turntrans-116.7-10.7-173.9570000113.4I33 P36 E79 K80I33-T82 PolarHBondContact N-O 3.16Å; P36-T82 HydrophobicContact CB-CG2 4.25Å; P36-T82 HydrophobicContact CG-CG2 3.93Å; E79-T82 PolarHBondContact O-N 3.02Å; K80-T82 PolarHBondContact O-N 3.08Å
83M91.5Very high89.2Confident30 Ų3053.7 Ų53.715%0.14828%0.275CS..EExtended strand (participates in β ladder)trans-136.1117.7-176.1-178.3-178.4-177.400109.6E30 L78 E79 R85E30-M83 HydrophobicContact CB-CE 3.89Å; E30-M83 HydrophobicContact CG-CE 3.52Å; E30-M83 VanDerWaalsContact OE1-CE 3.23Å; E30-M83 WeakPolarHBondContact OE1-CE 3.15Å; E30-M83 WeakPolarHBondContact OE2-CE 3.27Å; L78-M83 CarbonylContact C-O 3.55Å; E79-M83 HydrophobicContact CB-CB 4.26Å; E79-M83 PolarHBondContact N-O 3.14Å; E79-M83 PolarHBondContact O-N 3.2Å; E79-M83 VanDerWaalsContact O-N 3.15Å; M83-R85 HydrophobicContact CE-CG 4.12Å; M83-R85 HydrophobicContact CG-CG 4.49Å
84L94Very high87.7Confident0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-99.7117.4176.6169.564.5000108.8E30 I31 I33 F53 L60 W76 T77 L78 I86E30-L84 CarbonylContact C-O 3.56Å; E30-L84 WeakPolarHBondContact CA-O 3.25Å; I31-L84 HydrophobicContact CB-CB 4.28Å; I31-L84 HydrophobicContact CD1-CD2 4.11Å; I31-L84 PolarHBondContact N-O 2.77Å; I31-L84 PolarHBondContact O-N 2.72Å; I33-L84 HydrophobicContact CD1-CB 3.88Å; I33-L84 HydrophobicContact CG1-CB 4.41Å; F53-L84 HydrophobicContact CB-CD2 4.42Å; F53-L84 HydrophobicContact CD1-CD1 4.5Å; F53-L84 HydrophobicContact CD1-CD2 3.71Å; F53-L84 HydrophobicContact CE1-CD1 4.38Å; F53-L84 HydrophobicContact CE1-CD2 4.31Å; F53-L84 HydrophobicContact CG-CD2 4.29Å; L60-L84 HydrophobicContact CD1-CD2 4.11Å; W76-L84 HydrophobicContact CB-CD1 4.28Å; W76-L84 HydrophobicContact CD2-CD1 4.42Å; W76-L84 HydrophobicContact CE3-CD1 3.64Å; W76-L84 HydrophobicContact CZ3-CD1 4.4Å; T77-L84 WeakPolarHBondContact O-CA 3.18Å; L78-L84 HydrophobicContact CD1-CB 4.46Å; L84-I86 HydrophobicContact CD1-CG1 4.36Å; L84-I86 HydrophobicContact CD2-CD1 4.36Å; L84-I86 HydrophobicContact CG-CD1 4.42Å; L84-I86 HydrophobicContact CG-CG1 4.11Å
85R93.9Very high86Confident80 Ų8054.4 Ų54.430%0.30227%0.273SS..EExtended strand (participates in β ladder)trans-101.4134.6173-57-178174.6-99.2-7.8109.1I29 E30 W76 T77 E79 M83I29-R85 CarbonylContact O-C 3.42Å; I29-R85 VanDerWaalsContact O-CA 3.31Å; I29-R85 WeakPolarHBondContact O-CA 3.47Å; E30-R85 HydrophobicContact CG-CG 4.28Å; E30-R85 IonicContact OE1-CZ 2.9Å; E30-R85 IonicContact OE1-NH1 3.94Å; E30-R85 PolarHBondContact OE1-NH1 2.85Å; E30-R85 IonicContact OE1-NH2 3.93Å; E30-R85 PolarHBondContact OE1-NH2 3.04Å; W76-R85 CarbonylContact C-O 3.57Å; W76-R85 WeakPolarHBondContact CA-O 3.38Å; W76-R85 WeakPolarHBondContact CB-O 3.19Å; T77-R85 PolarHBondContact N-O 2.61Å; T77-R85 PolarHBondContact O-N 3.01Å; E79-R85 VanDerWaalsContact OE1-CD 3.3Å; E79-R85 WeakPolarHBondContact OE1-CD 3.2Å; E79-R85 IonicContact OE1-CZ 3.18Å; E79-R85 IonicContact OE1-NE 3.57Å; E79-R85 PolarHBondContact OE1-NE 3.26Å; E79-R85 IonicContact OE2-CZ 2.81Å; E79-R85 IonicContact OE2-NE 2.56Å; E79-R85 PolarHBondContact OE2-NE 3.46Å; E79-R85 IonicContact OE2-NH2 3.45Å; E79-R85 PolarHBondContact OE2-NH2 2.83Å; M83-R85 HydrophobicContact CE-CG 4.12Å; M83-R85 HydrophobicContact CG-CG 4.49Å
86I94.9Very high84.3Confident1 Ų153.9 Ų53.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-127.2123.2176.6-49.2161.3000106.7N28 I29 I31 I46 F53 L61 W76 L84 L88N28-I86 CarbonylContact C-O 3.59Å; N28-I86 WeakPolarHBondContact CA-O 3.35Å; I29-I86 HydrophobicContact CB-CB 4.14Å; I29-I86 HydrophobicContact CB-CD1 4.44Å; I29-I86 HydrophobicContact CD1-CB 4.42Å; I29-I86 HydrophobicContact CG2-CD1 4.48Å; I29-I86 PolarHBondContact N-O 2.85Å; I29-I86 PolarHBondContact O-N 2.79Å; I31-I86 HydrophobicContact CD1-CD1 3.98Å; I46-I86 HydrophobicContact CD1-CG2 4.48Å; F53-I86 HydrophobicContact CD1-CD1 4.17Å; F53-I86 HydrophobicContact CD2-CD1 3.7Å; F53-I86 HydrophobicContact CE1-CD1 3.97Å; F53-I86 HydrophobicContact CE1-CG1 3.97Å; F53-I86 HydrophobicContact CE2-CD1 3.52Å; F53-I86 HydrophobicContact CE2-CG1 4.08Å; F53-I86 HydrophobicContact CE2-CG2 4.09Å; F53-I86 HydrophobicContact CG-CD1 4.03Å; F53-I86 HydrophobicContact CZ-CB 4.43Å; F53-I86 HydrophobicContact CZ-CD1 3.65Å; F53-I86 HydrophobicContact CZ-CG1 3.71Å; F53-I86 HydrophobicContact CZ-CG2 3.86Å; L61-I86 HydrophobicContact CD2-CD1 4.22Å; W76-I86 HydrophobicContact CB-CG1 4.19Å; W76-I86 HydrophobicContact CB-CG2 4.46Å; L84-I86 HydrophobicContact CD1-CG1 4.36Å; L84-I86 HydrophobicContact CD2-CD1 4.36Å; L84-I86 HydrophobicContact CG-CD1 4.42Å; L84-I86 HydrophobicContact CG-CG1 4.11Å; I86-L88 HydrophobicContact CG2-CD2 3.77Å; I86-L88 HydrophobicContact CG2-CG 4.11Å
87M94Very high83.1Confident48 Ų4854.8 Ų54.824%0.23628%0.279CS..EExtended strand (participates in β ladder)trans-112.8112.6175.5-176.1-161.7100.800107.5S74 V75S74-M87 CarbonylContact C-O 3.46Å; S74-M87 WeakPolarHBondContact CA-O 3.09Å; S74-M87 WeakPolarHBondContact CB-O 3.33Å; V75-M87 HydrophobicContact CG2-CB 3.85Å; V75-M87 HydrophobicContact CG2-CE 3.89Å; V75-M87 HydrophobicContact CG2-SD 3.97Å; V75-M87 PolarHBondContact N-O 2.76Å; V75-M87 PolarHBondContact O-N 2.73Å
88L93.2Very high82.1Confident0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-101.4121.9178.3-56.6176.8000109.5E26 V27 I29 I46 I51 L65 V69 S74 I86 K90E26-L88 CarbonylContact C-O 3.55Å; E26-L88 VanDerWaalsContact CA-O 3.25Å; E26-L88 WeakPolarHBondContact CA-O 3.49Å; V27-L88 HydrophobicContact CB-CB 4.3Å; V27-L88 PolarHBondContact N-O 3.41Å; V27-L88 PolarHBondContact O-N 2.8Å; I29-L88 HydrophobicContact CD1-CD1 3.99Å; I46-L88 HydrophobicContact CD1-CD2 4.33Å; I46-L88 HydrophobicContact CG2-CD2 3.95Å; I51-L88 HydrophobicContact CG2-CD1 4.31Å; I51-L88 HydrophobicContact CG2-CD2 4.16Å; L65-L88 HydrophobicContact CD1-CD1 4.14Å; L65-L88 HydrophobicContact CD2-CD1 3.73Å; V69-L88 HydrophobicContact CB-CB 4.4Å; V69-L88 HydrophobicContact CG1-CB 3.98Å; V69-L88 HydrophobicContact CG1-CD1 4.49Å; S74-L88 WeakPolarHBondContact OG-CA 3.35Å; I86-L88 HydrophobicContact CG2-CD2 3.77Å; I86-L88 HydrophobicContact CG2-CG 4.11Å; L88-K90 PolarHBondContact O-N 2.83Å
89S91.7Very high81.7Confident13 Ų1350.2 Ų50.29%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-77.3118.6174.5173.80000109.6V69 H70 E73 S74V69-S89 CarbonylContact C-O 3.6Å; V69-S89 WeakPolarHBondContact CA-O 3.16Å; V69-S89 WeakPolarHBondContact CB-O 3.3Å; H70-S89 PolarHBondContact N-O 2.95Å; E73-S89 PolarHBondContact OE2-OG 2.9Å; S74-S89 PolarHBondContact OG-N 3.47Å
90K89.5Confident81.4Confident5 Ų548.5 Ų48.52%0.02225%0.252CS..EExtended strand (participates in β ladder)trans-67.3136.7179.6-70.2179.6176.9177.40110.1T23 G25 E26 V27 L88 S94 R95T23-K90 WeakPolarHBondContact O-CE 3.12Å; T23-K90 PolarHBondContact O-NZ 2.85Å; G25-K90 VanDerWaalsContact O-CB 3.24Å; G25-K90 WeakPolarHBondContact O-CB 3.1Å; G25-K90 PolarHBondContact O-N 2.76Å; E26-K90 WeakPolarHBondContact O-CE 3.41Å; V27-K90 HydrophobicContact CG2-CD 4.3Å; V27-K90 HydrophobicContact CG2-CG 4.02Å; L88-K90 PolarHBondContact O-N 2.83Å; K90-S94 WeakPolarHBondContact CB-OG 3.39Å; K90-R95 HydrophobicContact CB-CG 4.4Å
91A84.9Confident81.4Confident11 Ų1139.2 Ų39.29%0.09121%0.212CC..PPolyproline II helixtrans-61.3144.2173.500000111.1P68 H70 N93 S94P68-A91 HydrophobicContact CB-CB 4.19Å; P68-A91 HydrophobicContact CG-CB 4.1Å; P68-A91 WeakPolarHBondContact O-CB 3.44Å; P68-A91 PolarHBondContact O-N 3.37Å; H70-A91 WeakPolarHBondContact NE2-CA 3.44Å; A91-N93 VanDerWaalsContact CB-OD1 3.28Å; A91-N93 WeakPolarHBondContact CB-OD1 3.34Å; A91-N93 PolarHBondContact O-N 3.25Å; A91-S94 PolarHBondContact N-OG 3.1Å; A91-S94 WeakPolarHBondContact O-CA 3.35Å; A91-S94 PolarHBondContact O-N 3.06Å; A91-S94 PolarHBondContact O-OG 3.11Å
92S70.1Confident81.5Confident73 Ų7338.8 Ų38.851%0.5121%0.208SC..G310 helixtrans-51-34.1-172.6-171.80000114.4S94 R95S92-S94 VanDerWaalsContact C-N 3.33Å; S92-S94 PolarHBondContact O-N 3.02Å; S92-R95 PolarHBondContact OG-NH2 2.91Å
93N61.8Low81.6Confident120 Ų12036.3 Ų36.364%0.64219%0.192SC*.G310 helixtrans-73.7-17.3177.761.2-9.8000114.8A91A91-N93 VanDerWaalsContact CB-OD1 3.28Å; A91-N93 WeakPolarHBondContact CB-OD1 3.34Å; A91-N93 PolarHBondContact O-N 3.25Å
94S58.3Low81.4Confident11 Ų1137.5 Ų37.58%0.07721%0.207CC..G310 helixtrans-98.6-7.4-178.969.60000113.5K90 A91 S92 S96 K97K90-S94 WeakPolarHBondContact CB-OG 3.39Å; A91-S94 PolarHBondContact N-OG 3.1Å; A91-S94 WeakPolarHBondContact O-CA 3.35Å; A91-S94 PolarHBondContact O-N 3.06Å; A91-S94 PolarHBondContact O-OG 3.11Å; S92-S94 VanDerWaalsContact C-N 3.33Å; S92-S94 PolarHBondContact O-N 3.02Å; S94-S96 PolarHBondContact O-N 3.05Å; S94-K97 PolarHBondContact O-N 3.2Å
95R57.1Low81.1Confident129 Ų12943.3 Ų43.349%0.48724%0.238SC..THydrogen-bonded Turntrans-64.5-24.3179.6-68.8-169.1-75.7168.8-11.7113.9V24 K90 S92 K97V24-R95 HydrophobicContact CG1-CB 4.38Å; V24-R95 WeakPolarHBondContact O-CG 3.28Å; K90-R95 HydrophobicContact CB-CG 4.4Å; S92-R95 PolarHBondContact OG-NH2 2.91Å; R95-K97 VanDerWaalsContact C-N 3.35Å
96S59.2Low80.6Confident63 Ų6341.2 Ų41.244%0.44124%0.242SC..THydrogen-bonded Turntrans-75-23.5179.255.80000113.4S94S94-S96 PolarHBondContact O-N 3.05Å
97K68.1Low80.2Confident107 Ų10743.1 Ų43.147%0.46526%0.255SS..SBendtrans-117.8124-176.8-61.6-168.8177.2-115.90110.8S94 R95 D153S94-K97 PolarHBondContact O-N 3.2Å; R95-K97 VanDerWaalsContact C-N 3.35Å; K97-D153 WeakPolarHBondContact CD-OD1 3.18Å; K97-D153 WeakPolarHBondContact CE-OD1 3.33Å; K97-D153 WeakPolarHBondContact CG-OD1 3.24Å; K97-D153 IonicContact NZ-OD1 2.73Å; K97-D153 PolarHBondContact NZ-OD1 2.86Å; K97-D153 IonicContact NZ-OD2 2.81Å; K97-D153 PolarHBondContact NZ-OD2 3.45Å
98G74.5Confident79.9Confident12 Ų1244.7 Ų44.712%0.12426%0.259CS..  trans-58.1143.5168.700000110.7S100G98-S100 PolarHBondContact O-N 3.38Å
99W84.5Confident79.6Confident1 Ų147.3 Ų47.30%0.00428%0.28CS..  trans-69.8118.6170.7-75.331.3000108.4W20 Q22 V27 L65 F66 A67 V69 S101 L102W20-W99 HydrophobicContact CH2-CB 4.41Å; W20-W99 HydrophobicContact CZ3-CB 4.44Å; Q22-W99 PolarHBondContact NE2-O 2.73Å; V27-W99 HydrophobicContact CG1-CE3 4.28Å; V27-W99 HydrophobicContact CG1-CZ3 4.33Å; V27-W99 HydrophobicContact CG2-CD2 3.63Å; V27-W99 HydrophobicContact CG2-CE3 3.87Å; V27-W99 HydrophobicContact CG2-CG 4.12Å; V27-W99 HydrophobicContact CG2-CH2 4.15Å; V27-W99 HydrophobicContact CG2-CZ2 3.96Å; V27-W99 HydrophobicContact CG2-CZ3 4.12Å; L65-W99 HydrophobicContact CB-CH2 3.8Å; L65-W99 HydrophobicContact CB-CZ3 4.27Å; L65-W99 HydrophobicContact CD1-CH2 4.25Å; L65-W99 HydrophobicContact CD2-CH2 3.92Å; L65-W99 HydrophobicContact CD2-CZ3 4.01Å; L65-W99 HydrophobicContact CG-CH2 4.21Å; F66-W99 HydrophobicContact CB-CD2 3.94Å; F66-W99 HydrophobicContact CB-CE3 3.75Å; F66-W99 HydrophobicContact CB-CG 4.38Å; F66-W99 HydrophobicContact CB-CZ3 4.2Å; F66-W99 HydrophobicContact CD1-CB 4Å; F66-W99 AromaticContact CD1-CD1 3.99Å; F66-W99 HydrophobicContact CD1-CD2 4.14Å; F66-W99 AromaticContact CD1-CG 3.79Å; F66-W99 HydrophobicContact CD1-CG 3.79Å; F66-W99 HydrophobicContact CG-CD2 4.48Å; F66-W99 HydrophobicContact CG-CG 4.44Å; A67-W99 HydrophobicContact CB-CZ2 3.98Å; A67-W99 VanDerWaalsContact O-CZ2 3.27Å; A67-W99 WeakPolarHBondContact O-CZ2 3.49Å; V69-W99 HydrophobicContact CG1-CH2 3.87Å; V69-W99 HydrophobicContact CG1-CZ2 3.72Å; W99-S101 PolarHBondContact O-N 3.49Å; W99-L102 HydrophobicContact CZ3-CD1 4.28Å; W99-L102 VanDerWaalsContact CZ3-O 3.24Å; W99-L102 WeakPolarHBondContact CZ3-O 3.41Å
100S84Confident79.3Confident47 Ų4747.4 Ų47.433%0.32928%0.281SS..SBendtrans-76.5-14.8175.560.50000112.8F66 G98 P110F66-S100 WeakPolarHBondContact CE2-OG 3.3Å; F66-S100 WeakPolarHBondContact CZ-OG 3.14Å; G98-S100 PolarHBondContact O-N 3.38Å; S100-P110 WeakPolarHBondContact O-CD 3.49Å
101S87.5Confident79.2Confident5 Ų551.5 Ų51.54%0.03530%0.303CS..SBendtrans-156.9162.517946.70000109.3F66 W99 F103F66-S101 VanDerWaalsContact CB-O 3.22Å; F66-S101 WeakPolarHBondContact CB-O 3.5Å; F66-S101 WeakPolarHBondContact CD2-OG 3.24Å; W99-S101 PolarHBondContact O-N 3.49Å; S101-F103 PolarHBondContact OG-O 2.73Å
102L89Confident79.1Confident0 Ų055 Ų550%033%0.332CS..SBendtrans-71.7-37.3177-172.461.5000111.3W17 W20 V27 I29 L61 F66 W99 S107 Y108W17-L102 HydrophobicContact CH2-CD2 3.84Å; W17-L102 HydrophobicContact CZ2-CD2 3.82Å; W20-L102 HydrophobicContact CD2-CB 4.39Å; W20-L102 HydrophobicContact CD2-CD1 4.18Å; W20-L102 HydrophobicContact CE3-CD1 4.3Å; W20-L102 HydrophobicContact CG-CD1 4.3Å; W20-L102 HydrophobicContact CG-CD2 4.47Å; W20-L102 HydrophobicContact CZ2-CB 4.4Å; V27-L102 HydrophobicContact CG1-CD1 4Å; I29-L102 HydrophobicContact CD1-CD1 3.74Å; I29-L102 HydrophobicContact CD1-CD2 4.29Å; I29-L102 HydrophobicContact CG1-CD1 3.9Å; L61-L102 HydrophobicContact CD1-CD2 4.45Å; L61-L102 HydrophobicContact CD2-CD2 4.44Å; F66-L102 PolarHBondContact N-O 2.93Å; W99-L102 HydrophobicContact CZ3-CD1 4.28Å; W99-L102 VanDerWaalsContact CZ3-O 3.24Å; W99-L102 WeakPolarHBondContact CZ3-O 3.41Å; L102-S107 PolarHBondContact N-O 3.49Å; L102-Y108 HydrophobicContact CB-CD2 4.28Å; L102-Y108 HydrophobicContact CD2-CD2 4.11Å; L102-Y108 HydrophobicContact CD2-CG 4.49Å
103F92.3Very high79.8Confident6 Ų657.7 Ų57.73%0.02634%0.34CS..BIsolated β-bridgetrans-119.5152.9-177.5-65.6-35.5000112.6I51 L61 E64 L65 S101 D105 G106 S107 Y108I51-F103 HydrophobicContact CD1-CE1 3.9Å; I51-F103 HydrophobicContact CD1-CZ 4.24Å; I51-F103 HydrophobicContact CG1-CE1 3.82Å; I51-F103 HydrophobicContact CG1-CZ 4.26Å; L61-F103 HydrophobicContact CD1-CE2 3.75Å; L61-F103 HydrophobicContact CD1-CZ 3.49Å; L61-F103 VanDerWaalsContact CD1-CZ 3.49Å; L61-F103 HydrophobicContact CD2-CZ 4.49Å; L61-F103 HydrophobicContact CG-CZ 3.85Å; E64-F103 CarbonylContact O-C 3.51Å; E64-F103 WeakPolarHBondContact O-CA 3.22Å; E64-F103 VanDerWaalsContact O-CB 3.22Å; E64-F103 WeakPolarHBondContact O-CB 3.24Å; E64-F103 VanDerWaalsContact O-CD1 3.32Å; E64-F103 WeakPolarHBondContact O-CD1 3.39Å; L65-F103 HydrophobicContact CD2-CD1 4.39Å; L65-F103 HydrophobicContact CD2-CE1 4.22Å; S101-F103 PolarHBondContact OG-O 2.73Å; F103-D105 WeakPolarHBondContact CB-OD1 3.45Å; F103-D105 PolarHBondContact O-N 3.3Å; F103-D105 VanDerWaalsContact O-N 3.16Å; F103-G106 PolarHBondContact O-N 3.33Å; F103-S107 PolarHBondContact N-O 2.8Å; F103-Y108 AromaticContact CD2-CD2 3.7Å; F103-Y108 HydrophobicContact CD2-CD2 3.7Å; F103-Y108 AromaticContact CD2-CE2 3.58Å; F103-Y108 HydrophobicContact CD2-CE2 3.58Å; F103-Y108 AromaticContact CE2-CD2 3.9Å; F103-Y108 HydrophobicContact CE2-CD2 3.9Å; F103-Y108 AromaticContact CE2-CE2 3.47Å; F103-Y108 HydrophobicContact CE2-CE2 3.47Å; F103-Y108 VanDerWaalsContact CE2-CE2 3.47Å
104A88.1Confident80.9Confident56 Ų5653 Ų5346%0.46332%0.316SS..THydrogen-bonded Turntrans-63.4-20.2-174.900000114.3E64 G106E64-A104 HydrophobicContact CG-CB 4.25Å; E64-A104 PolarHBondContact O-N 3.41Å; A104-G106 PolarHBondContact O-N 2.76Å
105D87.2Confident82.1Confident121 Ų12155.4 Ų55.465%0.64732%0.324SS*.THydrogen-bonded Turntrans-79.3-217566.4-16.1000113.4F103 S107F103-D105 WeakPolarHBondContact CB-OD1 3.45Å; F103-D105 PolarHBondContact O-N 3.3Å; F103-D105 VanDerWaalsContact O-N 3.16Å; D105-S107 WeakPolarHBondContact OD1-CB 3.39Å; D105-S107 PolarHBondContact OD1-N 3.27Å; D105-S107 PolarHBondContact OD1-OG 3.27Å; D105-S107 VanDerWaalsContact OD1-OG 3.07Å; D105-S107 PolarHBondContact OD2-OG 2.8Å
106G83.3Confident83.3Confident37 Ų3751.4 Ų51.438%0.38131%0.312SS..  trans85.95.5-173.400000113.6F103 A104 A109F103-G106 PolarHBondContact O-N 3.33Å; A104-G106 PolarHBondContact O-N 2.76Å; G106-A109 WeakPolarHBondContact O-CB 3.28Å; G106-A109 PolarHBondContact O-N 2.93Å
107S85.6Confident84.4Confident41 Ų4154.3 Ų54.329%0.28732%0.317SS..THydrogen-bonded Turntrans-64.4139.2177.2-72.40000111L102 F103 D105 A109L102-S107 PolarHBondContact N-O 3.49Å; F103-S107 PolarHBondContact N-O 2.8Å; D105-S107 WeakPolarHBondContact OD1-CB 3.39Å; D105-S107 PolarHBondContact OD1-N 3.27Å; D105-S107 PolarHBondContact OD1-OG 3.27Å; D105-S107 VanDerWaalsContact OD1-OG 3.07Å; D105-S107 PolarHBondContact OD2-OG 2.8Å; S107-A109 PolarHBondContact O-N 3.33Å
108Y87.5Confident85.1Confident81 Ų8149.4 Ų49.432%0.31830%0.295SS..THydrogen-bonded Turntrans59.530.4-176.9-43.1-73000113.8T15 W17 W20 L61 L102 F103T15-Y108 HydrophobicContact CG2-CD1 3.8Å; T15-Y108 HydrophobicContact CG2-CG 4.22Å; W17-Y108 AromaticContact CD1-CE1 3.89Å; W17-Y108 AromaticContact CE2-CE1 3.88Å; W17-Y108 HydrophobicContact CZ2-CD1 4.11Å; W17-Y108 HydrophobicContact CZ2-CD2 4.32Å; W17-Y108 HydrophobicContact CZ2-CE1 4.2Å; W17-Y108 HydrophobicContact CZ2-CE2 4.39Å; W17-Y108 HydrophobicContact CZ2-CG 4.17Å; W17-Y108 AromaticContact NE1-CD1 3.71Å; W17-Y108 AromaticContact NE1-CE1 3.01Å; W17-Y108 AromaticContact NE1-CZ 3.2Å; W17-Y108 PolarHBondContact NE1-OH 3.31Å; W20-Y108 WeakPolarHBondContact CZ2-O 3.48Å; W20-Y108 PolarHBondContact NE1-O 2.89Å; L61-Y108 HydrophobicContact CD1-CE2 4.37Å; L102-Y108 HydrophobicContact CB-CD2 4.28Å; L102-Y108 HydrophobicContact CD2-CD2 4.11Å; L102-Y108 HydrophobicContact CD2-CG 4.49Å; F103-Y108 AromaticContact CD2-CD2 3.7Å; F103-Y108 HydrophobicContact CD2-CD2 3.7Å; F103-Y108 AromaticContact CD2-CE2 3.58Å; F103-Y108 HydrophobicContact CD2-CE2 3.58Å; F103-Y108 AromaticContact CE2-CD2 3.9Å; F103-Y108 HydrophobicContact CE2-CD2 3.9Å; F103-Y108 AromaticContact CE2-CE2 3.47Å; F103-Y108 HydrophobicContact CE2-CE2 3.47Å; F103-Y108 VanDerWaalsContact CE2-CE2 3.47Å
109A87.4Confident85.5Confident54 Ų5449.9 Ų49.945%0.44630%0.295SS..PPolyproline II helixtrans-59.2134.7167.500000110.6G106 S107G106-A109 WeakPolarHBondContact O-CB 3.28Å; G106-A109 PolarHBondContact O-N 2.93Å; S107-A109 PolarHBondContact O-N 3.33Å
110P85.2Confident85.3Confident16 Ų1652.9 Ų52.910%0.10431%0.308CS..PPolyproline II helixtrans-67.3155.4172.618-9.8000110.4C13 W20 S100 T114 Y115 M118C13-P110 HydrophobicContact CB-CB 4.02Å; C13-P110 VanDerWaalsContact SG-CA 3.6Å; W20-P110 HydrophobicContact CZ2-CG 4.28Å; S100-P110 WeakPolarHBondContact O-CD 3.49Å; P110-T114 HydrophobicContact CB-CG2 3.77Å; P110-Y115 HydrophobicContact CG-CD2 4.03Å; P110-Y115 HydrophobicContact CG-CG 4.49Å; P110-M118 HydrophobicContact CB-SD 4.38Å; P110-M118 HydrophobicContact CG-SD 3.87Å
111D87.5Confident85.1Confident90 Ų9051.9 Ų51.948%0.48130%0.3SS..PPolyproline II helixtrans-63.4159.4168.467.2-84.7000110.8L113 T114 Y115D111-L113 PolarHBondContact O-N 2.88Å; D111-L113 VanDerWaalsContact O-N 3.11Å; D111-L113 WeakPolarHBondContact OD2-CB 3.24Å; D111-L113 PolarHBondContact OD2-N 2.83Å; D111-L113 VanDerWaalsContact OD2-N 3.1Å; D111-T114 VanDerWaalsContact CG-OG1 3.32Å; D111-T114 PolarHBondContact O-N 3.1Å; D111-T114 WeakPolarHBondContact OD1-CB 3.24Å; D111-T114 PolarHBondContact OD1-OG1 2.85Å; D111-T114 PolarHBondContact OD2-N 3.34Å; D111-T114 PolarHBondContact OD2-OG1 3.25Å; D111-Y115 PolarHBondContact O-N 3.49Å
112A82.5Confident84.9Confident86 Ų8652.4 Ų52.471%0.71130%0.303SS*.Hα-helixtrans-56.7-32.6-173.900000113.8D116A112-D116 WeakPolarHBondContact O-CB 3.43Å; A112-D116 PolarHBondContact O-N 2.91Å; A112-D116 VanDerWaalsContact O-N 3.1Å
113L84.3Confident84.4Confident129 Ų12952.5 Ų52.568%0.67530%0.303SS*.Hα-helixtrans-76.5-38.4178.7-63.6174.1000111.4D111 K117D111-L113 PolarHBondContact O-N 2.88Å; D111-L113 VanDerWaalsContact O-N 3.11Å; D111-L113 WeakPolarHBondContact OD2-CB 3.24Å; D111-L113 PolarHBondContact OD2-N 2.83Å; D111-L113 VanDerWaalsContact OD2-N 3.1Å; L113-K117 WeakPolarHBondContact O-CG 3.2Å; L113-K117 PolarHBondContact O-N 3.19Å
114T84.9Confident83.8Confident22 Ų2253.6 Ų53.614%0.13531%0.309CS..Hα-helixtrans-68.4-41.5175.2-61.60000111.4V12 P110 D111 K117 M118V12-T114 WeakPolarHBondContact O-CG2 3.31Å; P110-T114 HydrophobicContact CB-CG2 3.77Å; D111-T114 VanDerWaalsContact CG-OG1 3.32Å; D111-T114 PolarHBondContact O-N 3.1Å; D111-T114 WeakPolarHBondContact OD1-CB 3.24Å; D111-T114 PolarHBondContact OD1-OG1 2.85Å; D111-T114 PolarHBondContact OD2-N 3.34Å; D111-T114 PolarHBondContact OD2-OG1 3.25Å; T114-K117 PolarHBondContact O-N 2.88Å; T114-M118 HydrophobicContact CG2-CE 4.17Å; T114-M118 WeakPolarHBondContact O-CG 3.23Å; T114-M118 PolarHBondContact O-N 3.06Å
115Y84.3Confident83.4Confident60 Ų6053.1 Ų53.124%0.23530%0.298CS..Hα-helixtrans-61.6-44.8175.8-175.1-109.2000111.8P110 D111 K117 M118 E119P110-Y115 HydrophobicContact CG-CD2 4.03Å; P110-Y115 HydrophobicContact CG-CG 4.49Å; D111-Y115 PolarHBondContact O-N 3.49Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 2.88Å; Y115-M118 WeakPolarHBondContact O-CA 3.23Å; Y115-M118 WeakPolarHBondContact O-CB 3.4Å; Y115-M118 PolarHBondContact O-N 3.21Å; Y115-E119 HydrophobicContact CD1-CG 4.31Å; Y115-E119 HydrophobicContact CE1-CG 3.74Å; Y115-E119 WeakPolarHBondContact CE1-OE1 3.42Å; Y115-E119 VanDerWaalsContact CE1-OE2 3.23Å; Y115-E119 WeakPolarHBondContact CE1-OE2 3.35Å; Y115-E119 HydrophobicContact CE2-CG 4.12Å; Y115-E119 VanDerWaalsContact CZ-CD 3.42Å; Y115-E119 PolarHBondContact O-N 3.44Å; Y115-E119 VanDerWaalsContact OH-CD 3.32Å; Y115-E119 PolarHBondContact OH-OE1 2.99Å
116D81.7Confident82.9Confident46 Ų4650.7 Ų50.725%0.24628%0.279CS..Hα-helixtrans-56.6-42.7174.8-179.479.3000112.3A112 E119 K120 Y151A112-D116 WeakPolarHBondContact O-CB 3.43Å; A112-D116 PolarHBondContact O-N 2.91Å; A112-D116 VanDerWaalsContact O-N 3.1Å; D116-E119 PolarHBondContact O-N 2.83Å; D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 2.81Å; D116-K120 WeakPolarHBondContact OD2-CE 3.49Å; D116-K120 IonicContact OD2-NZ 2.71Å; D116-K120 PolarHBondContact OD2-NZ 2.77Å; D116-Y151 VanDerWaalsContact OD1-CE2 3.23Å; D116-Y151 WeakPolarHBondContact OD1-CE2 3.44Å; D116-Y151 VanDerWaalsContact OD1-CZ 3.27Å; D116-Y151 PolarHBondContact OD1-OH 3.38Å; D116-Y151 PolarHBondContact OD2-OH 3.04Å
117K82.3Confident82.6Confident124 Ų12450.7 Ų50.754%0.53927%0.269SS..Hα-helixtrans-65.2-41.8174.5-68.9171.9-177.4177.90111.8P11 L113 T114 Y115 K120 S121P11-K117 HydrophobicContact CB-CB 3.64Å; P11-K117 HydrophobicContact CG-CB 4.07Å; P11-K117 WeakPolarHBondContact CG-O 3.29Å; L113-K117 WeakPolarHBondContact O-CG 3.2Å; L113-K117 PolarHBondContact O-N 3.19Å; T114-K117 PolarHBondContact O-N 2.88Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 2.88Å; K117-K120 PolarHBondContact O-N 2.87Å; K117-S121 WeakPolarHBondContact O-CB 3.37Å; K117-S121 PolarHBondContact O-N 2.77Å
118M84.6Confident82Confident3 Ų351 Ų512%0.01527%0.266CS..Hα-helixtrans-59.7-48.4176.4-74.6-179171.800111.2P11 C13 W20 P110 T114 Y115 K120 S121 L122P11-M118 HydrophobicContact CB-CG 3.98Å; P11-M118 VanDerWaalsContact CG-CA 3.43Å; P11-M118 HydrophobicContact CG-CB 4.16Å; P11-M118 HydrophobicContact CG-CG 3.71Å; P11-M118 WeakPolarHBondContact O-CE 3.37Å; C13-M118 HydrophobicContact CB-CE 3.71Å; W20-M118 HydrophobicContact CH2-SD 4.41Å; P110-M118 HydrophobicContact CB-SD 4.38Å; P110-M118 HydrophobicContact CG-SD 3.87Å; T114-M118 HydrophobicContact CG2-CE 4.17Å; T114-M118 WeakPolarHBondContact O-CG 3.23Å; T114-M118 PolarHBondContact O-N 3.06Å; Y115-M118 WeakPolarHBondContact O-CA 3.23Å; Y115-M118 WeakPolarHBondContact O-CB 3.4Å; Y115-M118 PolarHBondContact O-N 3.21Å; M118-K120 VanDerWaalsContact C-N 3.35Å; M118-K120 PolarHBondContact O-N 3.46Å; M118-S121 PolarHBondContact O-N 2.71Å; M118-L122 WeakPolarHBondContact O-CB 3.21Å; M118-L122 VanDerWaalsContact O-CG 3.24Å; M118-L122 WeakPolarHBondContact O-CG 3.31Å; M118-L122 PolarHBondContact O-N 2.52Å
119E82.4Confident81.4Confident23 Ų2351.4 Ų51.411%0.10728%0.277CS..Hα-helixtrans-59.9-44.9177.2-71.7-168.3123.500111.7Y115 D116 S121 L122 V123 Y151 D153Y115-E119 HydrophobicContact CD1-CG 4.31Å; Y115-E119 HydrophobicContact CE1-CG 3.74Å; Y115-E119 WeakPolarHBondContact CE1-OE1 3.42Å; Y115-E119 VanDerWaalsContact CE1-OE2 3.23Å; Y115-E119 WeakPolarHBondContact CE1-OE2 3.35Å; Y115-E119 HydrophobicContact CE2-CG 4.12Å; Y115-E119 VanDerWaalsContact CZ-CD 3.42Å; Y115-E119 PolarHBondContact O-N 3.44Å; Y115-E119 VanDerWaalsContact OH-CD 3.32Å; Y115-E119 PolarHBondContact OH-OE1 2.99Å; D116-E119 PolarHBondContact O-N 2.83Å; E119-S121 PolarHBondContact O-N 3.43Å; E119-L122 PolarHBondContact O-N 3.47Å; E119-V123 WeakPolarHBondContact O-CG2 3.35Å; E119-V123 PolarHBondContact O-N 3.29Å; E119-Y151 HydrophobicContact CB-CD2 4.15Å; E119-D153 PolarHBondContact OE1-N 2.88Å
120K79.5Confident80.7Confident64 Ų6450.5 Ų50.528%0.27826%0.264SS..Hα-helixtrans-56.3-49173.9-75.4172.8176.6155.30112.2D116 K117 M118 L122 V123 L124 Y151D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 2.81Å; D116-K120 WeakPolarHBondContact OD2-CE 3.49Å; D116-K120 IonicContact OD2-NZ 2.71Å; D116-K120 PolarHBondContact OD2-NZ 2.77Å; K117-K120 PolarHBondContact O-N 2.87Å; M118-K120 VanDerWaalsContact C-N 3.35Å; M118-K120 PolarHBondContact O-N 3.46Å; K120-L122 VanDerWaalsContact C-N 3.33Å; K120-L122 PolarHBondContact O-N 3.46Å; K120-V123 PolarHBondContact O-N 2.96Å; K120-L124 WeakPolarHBondContact O-CG 3.46Å; K120-L124 PolarHBondContact O-N 2.73Å; K120-Y151 HydrophobicContact CD-CE2 4.33Å; K120-Y151 WeakPolarHBondContact CE-OH 3.31Å; K120-Y151 HydrophobicContact CG-CD1 4.3Å; K120-Y151 HydrophobicContact CG-CD2 3.78Å; K120-Y151 HydrophobicContact CG-CE1 4.19Å; K120-Y151 HydrophobicContact CG-CE2 3.65Å; K120-Y151 HydrophobicContact CG-CG 4.13Å; K120-Y151 PolarHBondContact NZ-OH 3.43Å
121S80.3Confident79.9Confident25 Ų2553.6 Ų53.618%0.17528%0.284CS..Hα-helixtrans-62.1-40.9-179.9-171.40000111.9K117 M118 E119 L124 E125K117-S121 WeakPolarHBondContact O-CB 3.37Å; K117-S121 PolarHBondContact O-N 2.77Å; M118-S121 PolarHBondContact O-N 2.71Å; E119-S121 PolarHBondContact O-N 3.43Å; S121-L124 PolarHBondContact O-N 3.35Å; S121-E125 WeakPolarHBondContact O-CB 3.42Å; S121-E125 PolarHBondContact O-N 3.46Å
122L82.5Confident79Confident16 Ų1653.2 Ų53.28%0.08428%0.278CS..Hα-helixtrans-65.7-40.1177.9-72172.6000111.8Q22 T23 V24 M118 E119 K120 R126Q22-L122 HydrophobicContact CG-CD1 4.22Å; Q22-L122 HydrophobicContact CG-CD2 4.26Å; T23-L122 VanDerWaalsContact O-CD2 3.28Å; T23-L122 WeakPolarHBondContact O-CD2 3.48Å; V24-L122 HydrophobicContact CG2-CD2 4.18Å; V24-L122 WeakPolarHBondContact CG2-O 3.25Å; M118-L122 WeakPolarHBondContact O-CB 3.21Å; M118-L122 VanDerWaalsContact O-CG 3.24Å; M118-L122 WeakPolarHBondContact O-CG 3.31Å; M118-L122 PolarHBondContact O-N 2.52Å; E119-L122 PolarHBondContact O-N 3.47Å; K120-L122 VanDerWaalsContact C-N 3.33Å; K120-L122 PolarHBondContact O-N 3.46Å; L122-R126 VanDerWaalsContact O-CB 3.31Å; L122-R126 WeakPolarHBondContact O-CB 3.33Å; L122-R126 PolarHBondContact O-N 3.29Å
123V79.8Confident78.1Confident3 Ų351.3 Ų51.32%0.01825%0.254CS..Hα-helixtrans-68.2-44.8178.1173.90000110.8E119 K120 E125 R126 F127 L147E119-V123 WeakPolarHBondContact O-CG2 3.35Å; E119-V123 PolarHBondContact O-N 3.29Å; K120-V123 PolarHBondContact O-N 2.96Å; V123-E125 VanDerWaalsContact C-N 3.35Å; V123-E125 PolarHBondContact O-N 3.05Å; V123-R126 WeakPolarHBondContact O-CB 3.24Å; V123-R126 PolarHBondContact O-N 2.87Å; V123-R126 VanDerWaalsContact O-N 3.16Å; V123-F127 HydrophobicContact CG1-CD2 3.7Å; V123-F127 HydrophobicContact CG1-CE2 3.39Å; V123-F127 WeakPolarHBondContact O-CD2 3.47Å; V123-F127 PolarHBondContact O-N 2.94Å; V123-L147 HydrophobicContact CB-CD2 3.75Å; V123-L147 HydrophobicContact CG1-CD2 3.47Å; V123-L147 VanDerWaalsContact CG1-CD2 3.47Å
124L79.7Confident77.1Confident28 Ų2850.5 Ų50.515%0.14725%0.245CC..Hα-helixtrans-58.7-45.9174.5-71.9174.3000112K120 S121 R126 F127 Q128 F142 A145 L147K120-L124 WeakPolarHBondContact O-CG 3.46Å; K120-L124 PolarHBondContact O-N 2.73Å; S121-L124 PolarHBondContact O-N 3.35Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 3.02Å; L124-F127 PolarHBondContact O-N 3.27Å; L124-Q128 WeakPolarHBondContact O-CB 3.25Å; L124-Q128 PolarHBondContact O-N 3.28Å; L124-F142 HydrophobicContact CD2-CB 4.4Å; L124-A145 WeakPolarHBondContact CD1-O 3.38Å; L124-A145 HydrophobicContact CD2-CB 3.93Å; L124-L147 HydrophobicContact CD2-CB 4.28Å
125E79.2Confident76Confident47 Ų4757.7 Ų57.722%0.2228%0.275CS..Hα-helixtrans-60.8-42.6175.4-174.1-169.8164.500110.9T23 V24 S121 V123 F127 Q128 V129T23-E125 WeakPolarHBondContact CA-OE2 3.48Å; T23-E125 WeakPolarHBondContact CB-OE1 3.45Å; T23-E125 VanDerWaalsContact CB-OE2 3.24Å; T23-E125 WeakPolarHBondContact CB-OE2 3.26Å; V24-E125 HydrophobicContact CB-CG 4.43Å; V24-E125 HydrophobicContact CG2-CB 3.84Å; V24-E125 HydrophobicContact CG2-CG 3.87Å; V24-E125 PolarHBondContact N-OE1 2.79Å; V24-E125 PolarHBondContact N-OE2 2.9Å; S121-E125 WeakPolarHBondContact O-CB 3.42Å; S121-E125 PolarHBondContact O-N 3.46Å; V123-E125 VanDerWaalsContact C-N 3.35Å; V123-E125 PolarHBondContact O-N 3.05Å; E125-F127 PolarHBondContact O-N 3.45Å; E125-Q128 WeakPolarHBondContact O-CB 3.07Å; E125-Q128 PolarHBondContact O-N 3.43Å; E125-Q128 VanDerWaalsContact O-N 3.09Å; E125-V129 HydrophobicContact CG-CG1 4.33Å; E125-V129 WeakPolarHBondContact O-CG1 3.36Å; E125-V129 WeakPolarHBondContact O-CG2 3.49Å; E125-V129 PolarHBondContact O-N 3.26Å
126R76.7Confident75.2Confident69 Ų6960.2 Ų60.226%0.2629%0.289SS..Hα-helixtrans-58.3-45.8176.3-175.5-178.7175.3-169.6-0.9111.5V24 L122 V123 L124 Q128 V129 D130 G154 L158V24-R126 HydrophobicContact CG2-CB 4.15Å; L122-R126 VanDerWaalsContact O-CB 3.31Å; L122-R126 WeakPolarHBondContact O-CB 3.33Å; L122-R126 PolarHBondContact O-N 3.29Å; V123-R126 WeakPolarHBondContact O-CB 3.24Å; V123-R126 PolarHBondContact O-N 2.87Å; V123-R126 VanDerWaalsContact O-N 3.16Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 3.02Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q128 PolarHBondContact O-N 2.97Å; R126-V129 PolarHBondContact O-N 2.81Å; R126-D130 VanDerWaalsContact O-CB 3.29Å; R126-D130 WeakPolarHBondContact O-CB 3.49Å; R126-D130 PolarHBondContact O-N 2.97Å; R126-G154 PolarHBondContact NH1-O 2.8Å; R126-L158 HydrophobicContact CG-CD1 4.43Å
127F76.7Confident74.6Confident37 Ų3761.1 Ų61.116%0.16229%0.294CS..Hα-helixtrans-61.8-38.3174.8-80.3-74.4000112.4V123 L124 E125 F133 P156 L158V123-F127 HydrophobicContact CG1-CD2 3.7Å; V123-F127 HydrophobicContact CG1-CE2 3.39Å; V123-F127 WeakPolarHBondContact O-CD2 3.47Å; V123-F127 PolarHBondContact O-N 2.94Å; L124-F127 PolarHBondContact O-N 3.27Å; E125-F127 PolarHBondContact O-N 3.45Å; F127-F133 HydrophobicContact CD1-CD2 4.34Å; F127-F133 HydrophobicContact CD1-CE1 4.42Å; F127-F133 AromaticContact CD1-CE2 3.79Å; F127-F133 HydrophobicContact CD1-CE2 3.79Å; F127-F133 AromaticContact CD1-CZ 3.84Å; F127-F133 HydrophobicContact CD1-CZ 3.84Å; F127-F133 HydrophobicContact CE1-CE2 4.18Å; F127-F133 HydrophobicContact CE1-CZ 4Å; F127-F133 WeakPolarHBondContact O-CB 3.13Å; F127-P156 HydrophobicContact CZ-CG 4.22Å; F127-L158 HydrophobicContact CD1-CD1 4.19Å; F127-L158 HydrophobicContact CD1-CD2 3.57Å; F127-L158 HydrophobicContact CE1-CD1 4.46Å; F127-L158 HydrophobicContact CE1-CD2 3.01Å; F127-L158 HydrophobicContact CE1-CG 4.34Å; F127-L158 HydrophobicContact CE2-CD2 4.41Å; F127-L158 HydrophobicContact CG-CD2 4.47Å; F127-L158 HydrophobicContact CZ-CD2 3.49Å; F127-L158 VanDerWaalsContact CZ-CD2 3.49Å
128Q73.6Confident73.8Confident49 Ų4959.2 Ų59.223%0.22929%0.294CS..Hα-helixtrans-69-39.6-179.3-173.463.867.200112.9L124 E125 R126 M140L124-Q128 WeakPolarHBondContact O-CB 3.25Å; L124-Q128 PolarHBondContact O-N 3.28Å; E125-Q128 WeakPolarHBondContact O-CB 3.07Å; E125-Q128 PolarHBondContact O-N 3.43Å; E125-Q128 VanDerWaalsContact O-N 3.09Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q128 PolarHBondContact O-N 2.97Å; Q128-M140 PolarHBondContact NE2-O 3.05Å; Q128-M140 PolarHBondContact OE1-O 3.5Å
129V74.3Confident73.1Confident89 Ų8963.9 Ų63.954%0.53933%0.333SS..Hα-helixtrans-91.5-8.1-178.1-54.30000113.3E125 R126 P131E125-V129 HydrophobicContact CG-CG1 4.33Å; E125-V129 WeakPolarHBondContact O-CG1 3.36Å; E125-V129 WeakPolarHBondContact O-CG2 3.49Å; E125-V129 PolarHBondContact O-N 3.26Å; R126-V129 PolarHBondContact O-N 2.81Å; V129-P131 WeakPolarHBondContact O-CD 3.17Å
130D73.1Confident72.5Confident35 Ų3566.3 Ų66.319%0.18735%0.345CS..  trans-62.9125.1179.2-177.2-87.8000110.4R126 F132 F133 F134 L158R126-D130 VanDerWaalsContact O-CB 3.29Å; R126-D130 WeakPolarHBondContact O-CB 3.49Å; R126-D130 PolarHBondContact O-N 2.97Å; D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 3.35Å; D130-F132 VanDerWaalsContact OD1-CB 3.26Å; D130-F132 WeakPolarHBondContact OD1-CB 3.39Å; D130-F132 PolarHBondContact OD1-N 3.49Å; D130-F133 HydrophobicContact CB-CD2 3.9Å; D130-F133 PolarHBondContact O-N 2.95Å; D130-F133 PolarHBondContact OD1-N 2.91Å; D130-F134 PolarHBondContact O-N 3.16Å; D130-L158 HydrophobicContact CB-CD1 3.74Å
131P68.2Low72.1Confident80 Ų8068.3 Ų68.352%0.51936%0.359SS..Hα-helixtrans-57.1-37.8-175.1-26.233.6000113.4V129 F134 F135V129-P131 WeakPolarHBondContact O-CD 3.17Å; P131-F134 PolarHBondContact O-N 3.09Å; P131-F135 HydrophobicContact CB-CD2 4.39Å; P131-F135 HydrophobicContact CB-CE2 4.36Å; P131-F135 WeakPolarHBondContact O-CB 3.11Å; P131-F135 WeakPolarHBondContact O-CD2 3.26Å; P131-F135 PolarHBondContact O-N 2.97Å
132F67.9Low71.5Confident83 Ų8369.7 Ų69.736%0.36436%0.362SS..Hα-helixtrans-66-42.4-177.4-177.4-106.6000111.2D130 Q136 P159D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 3.35Å; D130-F132 VanDerWaalsContact OD1-CB 3.26Å; D130-F132 WeakPolarHBondContact OD1-CB 3.39Å; D130-F132 PolarHBondContact OD1-N 3.49Å; F132-Q136 PolarHBondContact O-N 3.46Å; F132-Q136 VanDerWaalsContact O-N 3.16Å; F132-P159 HydrophobicContact CE1-CG 4.29Å
133F64.3Low70.8Confident46 Ų4671 Ų7120%0.20237%0.372CS..Hα-helixtrans-67.5-41.6173.7-74.4-84.8000112F127 D130 F135 Q136 N137 L158F127-F133 HydrophobicContact CD1-CD2 4.34Å; F127-F133 HydrophobicContact CD1-CE1 4.42Å; F127-F133 AromaticContact CD1-CE2 3.79Å; F127-F133 HydrophobicContact CD1-CE2 3.79Å; F127-F133 AromaticContact CD1-CZ 3.84Å; F127-F133 HydrophobicContact CD1-CZ 3.84Å; F127-F133 HydrophobicContact CE1-CE2 4.18Å; F127-F133 HydrophobicContact CE1-CZ 4Å; F127-F133 WeakPolarHBondContact O-CB 3.13Å; D130-F133 HydrophobicContact CB-CD2 3.9Å; D130-F133 PolarHBondContact O-N 2.95Å; D130-F133 PolarHBondContact OD1-N 2.91Å; F133-F135 VanDerWaalsContact C-N 3.35Å; F133-F135 PolarHBondContact O-N 3.43Å; F133-Q136 PolarHBondContact O-N 3.27Å; F133-N137 PolarHBondContact O-N 3.44Å; F133-L158 HydrophobicContact CD2-CD1 4.38Å; F133-L158 HydrophobicContact CE2-CB 4.43Å; F133-L158 HydrophobicContact CE2-CD1 4.06Å; F133-L158 HydrophobicContact CE2-CD2 4.15Å; F133-L158 HydrophobicContact CE2-CG 4.44Å
134F62.3Low70.3Confident112 Ų11278.4 Ų78.449%0.49141%0.412SS..Hα-helixtrans-62.8-39.7177.7-172.5-95.8000112.5D130 P131 P138D130-F134 PolarHBondContact O-N 3.16Å; P131-F134 PolarHBondContact O-N 3.09Å; F134-P138 HydrophobicContact CE1-CB 4.49Å; F134-P138 HydrophobicContact CE2-CB 4.34Å; F134-P138 HydrophobicContact CZ-CB 4.29Å; F134-P138 VanDerWaalsContact O-CA 3.24Å; F134-P138 WeakPolarHBondContact O-CA 3.41Å; F134-P138 VanDerWaalsContact O-CB 3.31Å; F134-P138 WeakPolarHBondContact O-CB 3.46Å; F134-P138 VanDerWaalsContact O-CD 3.25Å; F134-P138 WeakPolarHBondContact O-CD 3.35Å; F134-P138 VanDerWaalsContact O-N 3.12Å
135F63.1Low70Confident172 Ų17279 Ų7975%0.75442%0.421SS*.Hα-helixtrans-67.6-38.9176-83-65.8000112.4P131 F133P131-F135 HydrophobicContact CB-CD2 4.39Å; P131-F135 HydrophobicContact CB-CE2 4.36Å; P131-F135 WeakPolarHBondContact O-CB 3.11Å; P131-F135 WeakPolarHBondContact O-CD2 3.26Å; P131-F135 PolarHBondContact O-N 2.97Å; F133-F135 VanDerWaalsContact C-N 3.35Å; F133-F135 PolarHBondContact O-N 3.43Å
136Q66.5Low69.7Low114 Ų11485.7 Ų85.753%0.53345%0.452SS..Hα-helixtrans-76.8-38.6179.5-77.7-165.873.900112.9F132 F133F132-Q136 PolarHBondContact O-N 3.46Å; F132-Q136 VanDerWaalsContact O-N 3.16Å; F133-Q136 PolarHBondContact O-N 3.27Å
137N69.7Low69.3Low64 Ų6484.4 Ų84.434%0.34245%0.45SS..  trans-141.568.4-172.1-54.1-76.1000111.2F133 A139 M140F133-N137 PolarHBondContact O-N 3.44Å; N137-A139 PolarHBondContact O-N 3.01Å; N137-M140 HydrophobicContact CB-CB 3.54Å; N137-M140 HydrophobicContact CB-CE 3.8Å; N137-M140 HydrophobicContact CB-CG 4.37Å; N137-M140 HydrophobicContact CB-SD 3.91Å; N137-M140 WeakPolarHBondContact O-CB 3.29Å; N137-M140 PolarHBondContact O-N 3.19Å
138P65.6Low69Low84 Ų8487.6 Ų87.655%0.54548%0.477SS..THydrogen-bonded Turntrans-64.2-17-174.723.1-32.7000114.3F134F134-P138 HydrophobicContact CE1-CB 4.49Å; F134-P138 HydrophobicContact CE2-CB 4.34Å; F134-P138 HydrophobicContact CZ-CB 4.29Å; F134-P138 VanDerWaalsContact O-CA 3.24Å; F134-P138 WeakPolarHBondContact O-CA 3.41Å; F134-P138 VanDerWaalsContact O-CB 3.31Å; F134-P138 WeakPolarHBondContact O-CB 3.46Å; F134-P138 VanDerWaalsContact O-CD 3.25Å; F134-P138 WeakPolarHBondContact O-CD 3.35Å; F134-P138 VanDerWaalsContact O-N 3.12Å
139A70Confident69Low101 Ų10188.1 Ų88.184%0.83550%0.496SS*.THydrogen-bonded Turntrans-103.84.417700000113.5N137 D141N137-A139 PolarHBondContact O-N 3.01Å; A139-D141 PolarHBondContact O-N 2.94Å
140M70.4Confident68.8Low74 Ų7488.6 Ų88.637%0.36550%0.495SS..  trans-79121177.2-176.4171.4-75.800108.9Q128 N137 F142Q128-M140 PolarHBondContact NE2-O 3.05Å; Q128-M140 PolarHBondContact OE1-O 3.5Å; N137-M140 HydrophobicContact CB-CB 3.54Å; N137-M140 HydrophobicContact CB-CE 3.8Å; N137-M140 HydrophobicContact CB-CG 4.37Å; N137-M140 HydrophobicContact CB-SD 3.91Å; N137-M140 WeakPolarHBondContact O-CB 3.29Å; N137-M140 PolarHBondContact O-N 3.19Å; M140-F142 HydrophobicContact CB-CE2 4.44Å; M140-F142 HydrophobicContact CG-CD2 4.12Å; M140-F142 HydrophobicContact CG-CE1 4.22Å; M140-F142 HydrophobicContact CG-CE2 3.55Å; M140-F142 HydrophobicContact CG-CZ 3.64Å; M140-F142 HydrophobicContact SD-CE1 3.98Å; M140-F142 HydrophobicContact SD-CE2 3.53Å; M140-F142 VanDerWaalsContact SD-CE2 3.53Å; M140-F142 HydrophobicContact SD-CZ 3.16Å; M140-F142 WeakPolarHBondContact SD-CZ 3.16Å
141D70.1Confident68.8Low106 Ų10688.7 Ų88.757%0.56749%0.493SS*.  trans-108.3118178.7-175.77.8000109.1A139 S143A139-D141 PolarHBondContact O-N 2.94Å; D141-S143 WeakPolarHBondContact OD1-CB 3.02Å; D141-S143 PolarHBondContact OD1-N 3.37Å; D141-S143 PolarHBondContact OD1-OG 2.85Å; D141-S143 PolarHBondContact OD2-OG 3.17Å
142F68.3Low68.8Low54 Ų5490.2 Ų90.224%0.23749%0.493CS..  trans-99.47.7177.5-68.2-77.2000113L124 M140 D144 A145L124-F142 HydrophobicContact CD2-CB 4.4Å; M140-F142 HydrophobicContact CB-CE2 4.44Å; M140-F142 HydrophobicContact CG-CD2 4.12Å; M140-F142 HydrophobicContact CG-CE1 4.22Å; M140-F142 HydrophobicContact CG-CE2 3.55Å; M140-F142 HydrophobicContact CG-CZ 3.64Å; M140-F142 HydrophobicContact SD-CE1 3.98Å; M140-F142 HydrophobicContact SD-CE2 3.53Å; M140-F142 VanDerWaalsContact SD-CE2 3.53Å; M140-F142 HydrophobicContact SD-CZ 3.16Å; M140-F142 WeakPolarHBondContact SD-CZ 3.16Å; F142-D144 PolarHBondContact O-N 2.96Å; F142-A145 HydrophobicContact CB-CB 4.14Å; F142-A145 HydrophobicContact CD1-CB 3.96Å; F142-A145 WeakPolarHBondContact O-CB 3.45Å; F142-A145 PolarHBondContact O-N 3.42Å
143S68.3Low68.6Low43 Ų4390.4 Ų90.430%0.30150%0.498SS..THydrogen-bonded Turntrans-53.4-38.2-179.160.50000113.5D141D141-S143 WeakPolarHBondContact OD1-CB 3.02Å; D141-S143 PolarHBondContact OD1-N 3.37Å; D141-S143 PolarHBondContact OD1-OG 2.85Å; D141-S143 PolarHBondContact OD2-OG 3.17Å
144D68.4Low68.6Low160 Ų16088.9 Ų88.986%0.85650%0.495SS*.THydrogen-bonded Turntrans-99.37.1179.5-72.8-29.8000113.7F142F142-D144 PolarHBondContact O-N 2.96Å
145A72.6Confident68.9Low39 Ų3984.4 Ų84.432%0.32248%0.48SS..  trans-73.8131.9-176.600000111.7L124 F142 L147L124-A145 WeakPolarHBondContact CD1-O 3.38Å; L124-A145 HydrophobicContact CD2-CB 3.93Å; F142-A145 HydrophobicContact CB-CB 4.14Å; F142-A145 HydrophobicContact CD1-CB 3.96Å; F142-A145 WeakPolarHBondContact O-CB 3.45Å; F142-A145 PolarHBondContact O-N 3.42Å; A145-L147 PolarHBondContact O-N 3.25Å
146E72.8Confident69.1Low188 Ų18879.7 Ų79.788%0.87947%0.467SS*.  trans-81.5113.8171.6-169.1-179170.100110
147L70.1Confident69.1Low43 Ų4381.4 Ų81.423%0.22548%0.48CS..  trans-90.6119.8174.6-173.864.6000110.5V123 L124 A145 Y151V123-L147 HydrophobicContact CB-CD2 3.75Å; V123-L147 HydrophobicContact CG1-CD2 3.47Å; V123-L147 VanDerWaalsContact CG1-CD2 3.47Å; L124-L147 HydrophobicContact CD2-CB 4.28Å; A145-L147 PolarHBondContact O-N 3.25Å; L147-Y151 HydrophobicContact CD2-CD1 4.23Å; L147-Y151 HydrophobicContact CD2-CG 4.05Å; L147-Y151 HydrophobicContact CG-CD1 4.24Å
148S70.2Confident68.8Low103 Ų10379.5 Ų79.572%0.7247%0.47SS*.  trans-120.4153.3172.565.70000110.9
149G73.7Confident68.5Low61 Ų6179.3 Ų79.363%0.62947%0.469SS*.SBendtrans104.4-151.4-178.500000113.2Y151G149-Y151 WeakPolarHBondContact O-CD1 3.46Å; G149-Y151 VanDerWaalsContact O-CE1 3.24Å; G149-Y151 WeakPolarHBondContact O-CE1 3.25Å
150N69.8Low67.7Low98 Ų9882.9 Ų82.952%0.52449%0.487SS..  trans-89.1107.1-178.4-169.50.6000111.5H152N150-H152 PolarHBondContact ND2-CE1 2.79Å; N150-H152 VanDerWaalsContact ND2-CE1 3.35Å; N150-H152 PolarHBondContact ND2-NE2 3.16Å; N150-H152 PolarHBondContact OD1-CD2 2.93Å; N150-H152 PolarHBondContact OD1-CE1 3.47Å; N150-H152 PolarHBondContact OD1-N 2.93Å; N150-H152 PolarHBondContact OD1-ND1 3.32Å; N150-H152 PolarHBondContact OD1-NE2 3.28Å
151Y71.8Confident67.6Low37 Ų3783.3 Ų83.315%0.14549%0.493CS..  trans-119.44.1176.351.1-95.5000113.4D116 E119 K120 L147 G149 G155D116-Y151 VanDerWaalsContact OD1-CE2 3.23Å; D116-Y151 WeakPolarHBondContact OD1-CE2 3.44Å; D116-Y151 VanDerWaalsContact OD1-CZ 3.27Å; D116-Y151 PolarHBondContact OD1-OH 3.38Å; D116-Y151 PolarHBondContact OD2-OH 3.04Å; E119-Y151 HydrophobicContact CB-CD2 4.15Å; K120-Y151 HydrophobicContact CD-CE2 4.33Å; K120-Y151 WeakPolarHBondContact CE-OH 3.31Å; K120-Y151 HydrophobicContact CG-CD1 4.3Å; K120-Y151 HydrophobicContact CG-CD2 3.78Å; K120-Y151 HydrophobicContact CG-CE1 4.19Å; K120-Y151 HydrophobicContact CG-CE2 3.65Å; K120-Y151 HydrophobicContact CG-CG 4.13Å; K120-Y151 PolarHBondContact NZ-OH 3.43Å; L147-Y151 HydrophobicContact CD2-CD1 4.23Å; L147-Y151 HydrophobicContact CD2-CG 4.05Å; L147-Y151 HydrophobicContact CG-CD1 4.24Å; G149-Y151 WeakPolarHBondContact O-CD1 3.46Å; G149-Y151 VanDerWaalsContact O-CE1 3.24Å; G149-Y151 WeakPolarHBondContact O-CE1 3.25Å; Y151-G155 PolarHBondContact O-N 2.97Å
152H68.7Low67.5Low112 Ų11282.1 Ų82.152%0.51949%0.489SS..G310 helixtrans-66.4149.3178.368.853.2000110.5N150 G154 G155N150-H152 PolarHBondContact ND2-CE1 2.79Å; N150-H152 VanDerWaalsContact ND2-CE1 3.35Å; N150-H152 PolarHBondContact ND2-NE2 3.16Å; N150-H152 PolarHBondContact OD1-CD2 2.93Å; N150-H152 PolarHBondContact OD1-CE1 3.47Å; N150-H152 PolarHBondContact OD1-N 2.93Å; N150-H152 PolarHBondContact OD1-ND1 3.32Å; N150-H152 PolarHBondContact OD1-NE2 3.28Å; H152-G154 VanDerWaalsContact C-N 3.25Å; H152-G154 PolarHBondContact O-N 3.22Å; H152-G155 PolarHBondContact O-N 3.22Å
153D64.5Low67.4Low88 Ų8883.7 Ų83.747%0.47150%0.503SS..G310 helixtrans59.929.4178.5-15537.1000114.6K97 E119K97-D153 WeakPolarHBondContact CD-OD1 3.18Å; K97-D153 WeakPolarHBondContact CE-OD1 3.33Å; K97-D153 WeakPolarHBondContact CG-OD1 3.24Å; K97-D153 IonicContact NZ-OD1 2.73Å; K97-D153 PolarHBondContact NZ-OD1 2.86Å; K97-D153 IonicContact NZ-OD2 2.81Å; K97-D153 PolarHBondContact NZ-OD2 3.45Å; E119-D153 PolarHBondContact OE1-N 2.88Å
154G64.1Low67.4Low13 Ų1386.1 Ų86.113%0.13452%0.515CS..G310 helixtrans967.3175.100000115.3R126 H152R126-G154 PolarHBondContact NH1-O 2.8Å; H152-G154 VanDerWaalsContact C-N 3.25Å; H152-G154 PolarHBondContact O-N 3.22Å
155G67.7Low67.3Low18 Ų1881.4 Ų81.419%0.18649%0.494CS..  trans76.5-173.6173.900000115Y151 H152Y151-G155 PolarHBondContact O-N 2.97Å; H152-G155 PolarHBondContact O-N 3.22Å
156P68.4Low67Low73 Ų7384.3 Ų84.347%0.47451%0.505SS..SBendtrans-61.9146.6-178.126.8-34.1000111.1F127 L158F127-P156 HydrophobicContact CZ-CG 4.22Å; P156-L158 PolarHBondContact O-N 3.05Å
157D66.2Low66.6Low151 Ų15176.9 Ų76.981%0.80748%0.479SS*.PPolyproline II helixtrans-59.9124.8170.7-77.6-45.9000109.7
158L62.5Low66.3Low23 Ų2379.5 Ų79.512%0.1250%0.498CS..PPolyproline II helixtrans-73.8140.4177.7-55.1-173.1000109.2R126 F127 D130 F133 P156 S160R126-L158 HydrophobicContact CG-CD1 4.43Å; F127-L158 HydrophobicContact CD1-CD1 4.19Å; F127-L158 HydrophobicContact CD1-CD2 3.57Å; F127-L158 HydrophobicContact CE1-CD1 4.46Å; F127-L158 HydrophobicContact CE1-CD2 3.01Å; F127-L158 HydrophobicContact CE1-CG 4.34Å; F127-L158 HydrophobicContact CE2-CD2 4.41Å; F127-L158 HydrophobicContact CG-CD2 4.47Å; F127-L158 HydrophobicContact CZ-CD2 3.49Å; F127-L158 VanDerWaalsContact CZ-CD2 3.49Å; D130-L158 HydrophobicContact CB-CD1 3.74Å; F133-L158 HydrophobicContact CD2-CD1 4.38Å; F133-L158 HydrophobicContact CE2-CB 4.43Å; F133-L158 HydrophobicContact CE2-CD1 4.06Å; F133-L158 HydrophobicContact CE2-CD2 4.15Å; F133-L158 HydrophobicContact CE2-CG 4.44Å; P156-L158 PolarHBondContact O-N 3.05Å; L158-S160 PolarHBondContact O-N 2.79Å
159P59.6Low66Low81 Ų8177.5 Ų77.553%0.52648%0.48SS..PPolyproline II helixtrans-58.3134.9175.725.1-32.8000110F132F132-P159 HydrophobicContact CE1-CG 4.29Å
160S54.9Low65.3Low175 Ų17579 Ų79100%1.22447%0.466SS*.  trans-81.30172.7-48.70000112L158L158-S160 PolarHBondContact O-N 2.79Å

Retrieved 160 of 160 residues in 50.2 ms (Link to these results)

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