X5J4Q5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Q5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 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
1S96.4Very high94Very high107 Ų10767.5 Ų67.575%0.74843%0.432SS*.  0160.6051.80000109.1A59 Y60S1-A59 CarbonylContact C-O 3.57Å; S1-A59 WeakPolarHBondContact CA-O 3.3Å; S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; S1-Y60 VanDerWaalsContact CB-CE1 3.44Å
2C97Very high93.7Very high19 Ų1965.2 Ų65.213%0.12841%0.409CS..EExtended strand (participates in β ladder)trans-139.2109.8178.6-178.60000108.9W16 T58 A59 C76C2-W16 HydrophobicContact CB-CH2 3.73Å; C2-W16 HydrophobicContact CB-CZ2 3.87Å; C2-T58 WeakPolarHBondContact O-CA 3.17Å; C2-A59 PolarHBondContact N-O 3.23Å; C2-A59 PolarHBondContact O-N 3.25Å; C2-C76 HydrophobicContact CB-CB 3.42Å; C2-C76 VanDerWaalsContact CB-CB 3.42Å; C2-C76 WeakPolarHBondContact CB-SG 3.4Å; C2-C76 WeakPolarHBondContact SG-CB 3.5Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.74Å
3K96.9Very high93.7Very high157 Ų15764.3 Ų64.368%0.68339%0.394SS*.EExtended strand (participates in β ladder)trans-92.9124.9-179.8-175.4174.7-178.5178.60109.9T58K3-T58 HydrophobicContact CB-CG2 4.47Å
4A94.4Very high93.8Very high13 Ų1359.9 Ų59.911%0.10737%0.366CS..  trans-79.9150.5176.300000111.7Y7 F9 S57A4-Y7 HydrophobicContact CB-CE1 3.7Å; A4-Y7 HydrophobicContact CB-CE2 4.23Å; A4-Y7 VanDerWaalsContact CB-CZ 3.46Å; A4-Y7 VanDerWaalsContact CB-OH 3.23Å; A4-Y7 WeakPolarHBondContact CB-OH 3.18Å; A4-F9 HydrophobicContact CB-CB 4.23Å; A4-F9 HydrophobicContact CB-CD2 3.34Å; A4-F9 HydrophobicContact CB-CE2 3.97Å; A4-F9 HydrophobicContact CB-CG 4.1Å; A4-S57 PolarHBondContact N-O 3.07Å
5S93.2Very high93.9Very high104 Ų10456.4 Ų56.473%0.72735%0.345SS*.  trans-151147173.163.40000110.5Y7S5-Y7 WeakPolarHBondContact O-CD1 3.47Å
6G91.8Very high94Very high89 Ų8953.6 Ų53.692%0.91833%0.326SS*.SBendtrans80.412.7175.100000116.2
7Y89.9Confident94.2Very high61 Ų6150.6 Ų50.624%0.23931%0.308CS..SBendtrans-158.2167175.965.3-83.3000112.6A4 S5 F9 Y12 I14A4-Y7 HydrophobicContact CB-CE1 3.7Å; A4-Y7 HydrophobicContact CB-CE2 4.23Å; A4-Y7 VanDerWaalsContact CB-CZ 3.46Å; A4-Y7 VanDerWaalsContact CB-OH 3.23Å; A4-Y7 WeakPolarHBondContact CB-OH 3.18Å; S5-Y7 WeakPolarHBondContact O-CD1 3.47Å; Y7-F9 HydrophobicContact CE2-CD2 4.49Å; Y7-F9 PolarHBondContact O-N 3.01Å; Y7-Y12 AromaticContact CD2-CD2 3.41Å; Y7-Y12 HydrophobicContact CD2-CD2 3.41Å; Y7-Y12 VanDerWaalsContact CD2-CD2 3.41Å; Y7-Y12 AromaticContact CD2-CE2 3.78Å; Y7-Y12 HydrophobicContact CD2-CE2 3.78Å; Y7-Y12 HydrophobicContact CD2-CG 4.11Å; Y7-Y12 AromaticContact CE2-CD2 3.83Å; Y7-Y12 HydrophobicContact CE2-CD2 3.83Å; Y7-Y12 HydrophobicContact CE2-CG 4.13Å; Y7-Y12 HydrophobicContact CG-CD2 4.45Å; Y7-Y12 HydrophobicContact CG-CE2 4.46Å; Y7-I14 VanDerWaalsContact OH-CD1 3.32Å; Y7-I14 WeakPolarHBondContact OH-CD1 3.45Å
8T93.7Very high94.3Very high87 Ų8747.9 Ų47.953%0.53429%0.291SS..  trans-70.695173.1-52.40000110.3T10 S11 Y12T8-T10 PolarHBondContact O-N 2.87Å; T8-T10 VanDerWaalsContact O-N 3.09Å; T8-S11 WeakPolarHBondContact CG2-OG 3.4Å; T8-S11 WeakPolarHBondContact O-CB 3.39Å; T8-S11 PolarHBondContact O-N 2.94Å; T8-Y12 WeakPolarHBondContact O-CD2 3.25Å
9F94Very high94.4Very high7 Ų748.7 Ų48.73%0.03129%0.292CS..G310 helixtrans-50.7-37.1-174.9176.6-118.5000114.3A4 Y7 S11 I14 P33 V52 A59A4-F9 HydrophobicContact CB-CB 4.23Å; A4-F9 HydrophobicContact CB-CD2 3.34Å; A4-F9 HydrophobicContact CB-CE2 3.97Å; A4-F9 HydrophobicContact CB-CG 4.1Å; Y7-F9 HydrophobicContact CE2-CD2 4.49Å; Y7-F9 PolarHBondContact O-N 3.01Å; F9-S11 PolarHBondContact O-N 2.8Å; F9-I14 HydrophobicContact CD2-CD1 4.19Å; F9-I14 HydrophobicContact CD2-CG1 4.46Å; F9-I14 HydrophobicContact CE2-CD1 3.84Å; F9-I14 HydrophobicContact CE2-CG1 3.72Å; F9-I14 HydrophobicContact CZ-CG1 4.42Å; F9-P33 HydrophobicContact CD1-CB 3.84Å; F9-P33 HydrophobicContact CD1-CG 4.17Å; F9-P33 HydrophobicContact CD2-CG 4.2Å; F9-P33 HydrophobicContact CE1-CB 3.49Å; F9-P33 VanDerWaalsContact CE1-CB 3.49Å; F9-P33 HydrophobicContact CE1-CG 3.75Å; F9-P33 HydrophobicContact CE2-CB 4.46Å; F9-P33 HydrophobicContact CE2-CG 3.8Å; F9-P33 HydrophobicContact CG-CB 4.48Å; F9-P33 HydrophobicContact CG-CG 4.41Å; F9-P33 HydrophobicContact CZ-CB 3.84Å; F9-P33 HydrophobicContact CZ-CG 3.54Å; F9-V52 HydrophobicContact CE1-CB 4.42Å; F9-V52 HydrophobicContact CE1-CG1 4.45Å; F9-V52 HydrophobicContact CZ-CG1 4.16Å; F9-A59 HydrophobicContact CE2-CB 4.38Å; F9-A59 HydrophobicContact CZ-CB 4.09Å
10T94.8Very high94.4Very high54 Ų5449.3 Ų49.333%0.33129%0.288SS..G310 helixtrans-74.7-3.7-177.652.70000115T8 Y32 G34 K54T8-T10 PolarHBondContact O-N 2.87Å; T8-T10 VanDerWaalsContact O-N 3.09Å; T10-Y32 PolarHBondContact O-OH 2.96Å; T10-G34 VanDerWaalsContact O-CA 3.24Å; T10-G34 WeakPolarHBondContact O-CA 3.32Å; T10-G34 PolarHBondContact O-N 3.46Å; T10-K54 HydrophobicContact CG2-CD 4.23Å; T10-K54 HydrophobicContact CG2-CG 4.47Å
11S91.8Very high94.3Very high44 Ų4452.7 Ų52.731%0.30831%0.312SS..G310 helixtrans-104.22.7-176.7-58.70000113.9T8 F9T8-S11 WeakPolarHBondContact CG2-OG 3.4Å; T8-S11 WeakPolarHBondContact O-CB 3.39Å; T8-S11 PolarHBondContact O-N 2.94Å; F9-S11 PolarHBondContact O-N 2.8Å
12Y90.5Very high94.1Very high40 Ų4052.1 Ų52.116%0.15732%0.323CS..SBendtrans-135.2144-174.7-66.2-97.2000111.8Y7 T8 P33 R78 Y81Y7-Y12 AromaticContact CD2-CD2 3.41Å; Y7-Y12 HydrophobicContact CD2-CD2 3.41Å; Y7-Y12 VanDerWaalsContact CD2-CD2 3.41Å; Y7-Y12 AromaticContact CD2-CE2 3.78Å; Y7-Y12 HydrophobicContact CD2-CE2 3.78Å; Y7-Y12 HydrophobicContact CD2-CG 4.11Å; Y7-Y12 AromaticContact CE2-CD2 3.83Å; Y7-Y12 HydrophobicContact CE2-CD2 3.83Å; Y7-Y12 HydrophobicContact CE2-CG 4.13Å; Y7-Y12 HydrophobicContact CG-CD2 4.45Å; Y7-Y12 HydrophobicContact CG-CE2 4.46Å; T8-Y12 WeakPolarHBondContact O-CD2 3.25Å; Y12-P33 WeakPolarHBondContact O-CD 3.02Å; Y12-R78 HydrophobicContact CD1-CG 4.03Å; Y12-R78 HydrophobicContact CG-CG 4.16Å; Y12-Y81 AromaticContact CE1-CD2 3.78Å; Y12-Y81 HydrophobicContact CE1-CD2 3.78Å; Y12-Y81 HydrophobicContact CE1-CG 4.22Å; Y12-Y81 HydrophobicContact CE2-CD2 4.27Å; Y12-Y81 AromaticContact CZ-CD2 3.53Å; Y12-Y81 VanDerWaalsContact OH-CD2 3.3Å; Y12-Y81 WeakPolarHBondContact OH-CD2 3.49Å
13W93.3Very high93.9Very high54 Ų5456 Ų5621%0.20534%0.339CS..  trans-65.4143.9166.3-70.190.2000110.6D30 I31 Y32 S37 N39 P79W13-D30 HydrophobicContact CE3-CB 3.96Å; W13-D30 WeakPolarHBondContact CZ3-OD1 3.23Å; W13-I31 VanDerWaalsContact CE3-C 3.41Å; W13-Y32 AromaticContact CD1-CD2 3.83Å; W13-Y32 HydrophobicContact CD2-CD2 4.05Å; W13-Y32 HydrophobicContact CD2-CG 4.28Å; W13-Y32 AromaticContact CE2-CD2 3.94Å; W13-Y32 VanDerWaalsContact CE3-N 3.27Å; W13-Y32 AromaticContact CG-CD2 3.99Å; W13-Y32 HydrophobicContact CG-CD2 3.99Å; W13-Y32 HydrophobicContact CZ2-CG 4.27Å; W13-Y32 AromaticContact NE1-CD2 3.78Å; W13-S37 WeakPolarHBondContact CZ3-O 3.41Å; W13-N39 WeakPolarHBondContact CH2-ND2 3.39Å; W13-N39 WeakPolarHBondContact CZ3-ND2 3.3Å; W13-P79 HydrophobicContact CB-CG 4.05Å; W13-P79 VanDerWaalsContact O-CD 3.28Å; W13-P79 WeakPolarHBondContact O-CD 3.49Å
14I95.1Very high93.6Very high3 Ų351.4 Ų51.42%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-113.8117.3169.8-51.3-63.1000107.4Y7 F9 D30 I31 P33 A59 C76Y7-I14 VanDerWaalsContact OH-CD1 3.32Å; Y7-I14 WeakPolarHBondContact OH-CD1 3.45Å; F9-I14 HydrophobicContact CD2-CD1 4.19Å; F9-I14 HydrophobicContact CD2-CG1 4.46Å; F9-I14 HydrophobicContact CE2-CD1 3.84Å; F9-I14 HydrophobicContact CE2-CG1 3.72Å; F9-I14 HydrophobicContact CZ-CG1 4.42Å; I14-D30 CarbonylContact O-C 3.57Å; I14-D30 WeakPolarHBondContact O-CA 3.18Å; I14-D30 WeakPolarHBondContact O-CB 3.43Å; I14-I31 HydrophobicContact CB-CG2 4.24Å; I14-I31 PolarHBondContact N-O 2.84Å; I14-I31 PolarHBondContact O-N 3.26Å; I14-P33 HydrophobicContact CG1-CG 3.94Å; I14-A59 HydrophobicContact CB-CB 4.07Å; I14-A59 HydrophobicContact CG1-CB 4.16Å; I14-A59 HydrophobicContact CG2-CB 3.78Å; I14-C76 HydrophobicContact CG2-CB 4.41Å
15T95.4Very high93.6Very high7 Ų755.5 Ų55.54%0.04336%0.356CS..EExtended strand (participates in β ladder)trans-102.4140-174.5-57.40000110.1V17 C76 A77 M89T15-V17 HydrophobicContact CG2-CG2 4.01Å; T15-C76 CarbonylContact O-C 3.48Å; T15-C76 VanDerWaalsContact O-CA 3.23Å; T15-C76 WeakPolarHBondContact O-CA 3.4Å; T15-A77 PolarHBondContact N-O 3.19Å; T15-A77 PolarHBondContact O-N 3.11Å; T15-M89 HydrophobicContact CG2-CE 4.15Å
16W96.8Very high93.7Very high11 Ų1152.1 Ų52.14%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-109135.7172.5-67.491.5000110.4C2 T28 G29 L50 M61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.73Å; C2-W16 HydrophobicContact CB-CZ2 3.87Å; W16-T28 HydrophobicContact CB-CG2 4.49Å; W16-T28 WeakPolarHBondContact O-CB 3.14Å; W16-T28 PolarHBondContact O-N 3.22Å; W16-G29 PolarHBondContact N-O 2.76Å; W16-L50 HydrophobicContact CG-CD2 4.31Å; W16-M61 HydrophobicContact CB-CE 4.29Å; W16-M61 HydrophobicContact CB-SD 3.65Å; W16-M61 HydrophobicContact CD2-CB 3.65Å; W16-M61 HydrophobicContact CD2-CE 4.06Å; W16-M61 HydrophobicContact CD2-CG 4.44Å; W16-M61 HydrophobicContact CD2-SD 3.96Å; W16-M61 HydrophobicContact CE3-CB 4.11Å; W16-M61 HydrophobicContact CE3-CE 3.72Å; W16-M61 HydrophobicContact CE3-SD 4.24Å; W16-M61 HydrophobicContact CG-CB 4.04Å; W16-M61 HydrophobicContact CG-CE 4.33Å; W16-M61 HydrophobicContact CG-CG 4.46Å; W16-M61 HydrophobicContact CG-SD 3.7Å; W16-M61 HydrophobicContact CH2-CB 4.31Å; W16-M61 HydrophobicContact CZ2-CB 3.88Å; W16-M61 HydrophobicContact CZ3-CB 4.41Å; W16-M61 HydrophobicContact CZ3-CE 4.38Å; W16-Y75 WeakPolarHBondContact CA-O 3.41Å; W16-C76 HydrophobicContact CD2-CB 4.38Å; W16-C76 HydrophobicContact CE3-CB 4.13Å; W16-C76 HydrophobicContact CH2-CB 4.21Å; W16-C76 HydrophobicContact CZ2-CB 4.44Å; W16-C76 HydrophobicContact CZ3-CB 4.05Å
17V96.1Very high93.8Very high3 Ų351.9 Ų51.92%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-135133.8-176.1-176.30000109.3T15 L25 E26 Y74 Y75 W92T15-V17 HydrophobicContact CG2-CG2 4.01Å; V17-L25 HydrophobicContact CG1-CB 3.76Å; V17-L25 HydrophobicContact CG1-CD2 3.92Å; V17-L25 HydrophobicContact CG1-CG 4.29Å; V17-E26 CarbonylContact C-O 3.47Å; V17-E26 WeakPolarHBondContact CA-O 3.36Å; V17-E26 WeakPolarHBondContact CG1-O 3.41Å; V17-Y74 CarbonylContact O-C 3.46Å; V17-Y74 WeakPolarHBondContact O-CA 3.19Å; V17-Y75 PolarHBondContact N-O 3.14Å; V17-Y75 PolarHBondContact O-N 2.87Å; V17-W92 HydrophobicContact CB-CH2 4.04Å; V17-W92 HydrophobicContact CB-CZ3 3.83Å; V17-W92 HydrophobicContact CG1-CH2 4.04Å; V17-W92 HydrophobicContact CG1-CZ3 4.09Å; V17-W92 HydrophobicContact CG2-CH2 3.75Å; V17-W92 HydrophobicContact CG2-CZ3 3.92Å
18K95.9Very high94Very high2 Ų249 Ų491%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-101.5140.9175.3-178.8-172.9178.7-173.80109.8E26 F44 E69 D70 A72 V73 Y74K18-E26 HydrophobicContact CB-CB 4.43Å; K18-E26 PolarHBondContact N-O 2.94Å; K18-E26 PolarHBondContact O-N 2.72Å; K18-F44 HydrophobicContact CB-CZ 4.46Å; K18-F44 HydrophobicContact CD-CE1 4.03Å; K18-F44 HydrophobicContact CD-CZ 3.53Å; K18-E69 PolarHBondContact NZ-O 3.02Å; K18-D70 WeakPolarHBondContact CE-O 2.87Å; K18-D70 IonicContact NZ-OD1 2.86Å; K18-D70 PolarHBondContact NZ-OD1 3.09Å; K18-A72 HydrophobicContact CD-CB 4.09Å; K18-A72 HydrophobicContact CG-CB 3.39Å; K18-V73 CarbonylContact C-O 3.59Å; K18-Y74 HydrophobicContact CB-CD1 4.02Å; K18-Y74 HydrophobicContact CB-CE1 3.76Å; K18-Y74 HydrophobicContact CD-CE1 4.09Å; K18-Y74 HydrophobicContact CG-CD1 4.31Å; K18-Y74 HydrophobicContact CG-CE1 3.79Å; K18-Y74 HydrophobicContact CG-CE2 4.28Å
19Q96.4Very high94.1Very high64 Ų6444.9 Ų44.930%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-134.1117.2173-170.4-177.631.500110.3L25 A72 V73 Y75Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 3.98Å; Q19-A72 VanDerWaalsContact O-CB 3.3Å; Q19-A72 WeakPolarHBondContact O-CB 3.38Å; Q19-V73 PolarHBondContact N-O 2.78Å; Q19-V73 PolarHBondContact O-N 3.17Å; Q19-Y75 HydrophobicContact CB-CD2 4.45Å; Q19-Y75 HydrophobicContact CB-CE2 3.76Å; Q19-Y75 PolarHBondContact OE1-OH 3.48Å
20R94.8Very high94.2Very high59 Ų5945.6 Ų45.622%0.22327%0.268CS..  trans-86.2151.2170.5-61.8-168.9-171.7125.6-10.8110.6G22 Q23 E69 A72R20-G22 PolarHBondContact O-N 3.29Å; R20-Q23 HydrophobicContact CB-CB 4.02Å; R20-Q23 HydrophobicContact CB-CG 4.03Å; R20-Q23 PolarHBondContact O-N 2.72Å; R20-E69 PolarHBondContact NE-O 2.89Å; R20-E69 PolarHBondContact NH2-O 2.86Å; R20-A72 HydrophobicContact CG-CB 4.16Å
21P92.3Very high94.3Very high122 Ų12243.2 Ų43.279%0.79225%0.253SS*.THydrogen-bonded Turntrans-52.9126.3172.3-25.434.6000111.5Q23P21-Q23 PolarHBondContact O-N 3.32Å
22G92Very high94.5Very high94 Ų9443.8 Ų43.897%0.96925%0.249SC*.THydrogen-bonded Turntrans71.85.4-179.700000115.7R20R20-G22 PolarHBondContact O-N 3.29Å
23Q92.7Very high94.7Very high102 Ų10241.9 Ų41.948%0.47724%0.241SC..SBendtrans-112.6161.6174.5-57.6-172.76.600111.3R20 P21R20-Q23 HydrophobicContact CB-CB 4.02Å; R20-Q23 HydrophobicContact CB-CG 4.03Å; R20-Q23 PolarHBondContact O-N 2.72Å; P21-Q23 PolarHBondContact O-N 3.32Å
24G91.9Very high94.8Very high60 Ų6040.7 Ų40.762%0.61925%0.245SC*.  trans-68174173.700000113.1
25L93.6Very high94.8Very high99 Ų9944 Ų4452%0.51827%0.269SS..EExtended strand (participates in β ladder)trans-69.2131.7171.8-64.5178.1000110.3V17 Q19 W92V17-L25 HydrophobicContact CG1-CB 3.76Å; V17-L25 HydrophobicContact CG1-CD2 3.92Å; V17-L25 HydrophobicContact CG1-CG 4.29Å; Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 3.98Å; L25-W92 HydrophobicContact CD1-CH2 3.76Å; L25-W92 HydrophobicContact CD1-CZ2 4.24Å; L25-W92 HydrophobicContact CD1-CZ3 4.44Å
26E94.5Very high94.8Very high32 Ų3245.5 Ų45.515%0.1529%0.285CS..EExtended strand (participates in β ladder)trans-115.8116.6176.5-176.9169.5-142.700109.1V17 K18 T28 K43 F44V17-E26 CarbonylContact C-O 3.47Å; V17-E26 WeakPolarHBondContact CA-O 3.36Å; V17-E26 WeakPolarHBondContact CG1-O 3.41Å; K18-E26 HydrophobicContact CB-CB 4.43Å; K18-E26 PolarHBondContact N-O 2.94Å; K18-E26 PolarHBondContact O-N 2.72Å; E26-T28 PolarHBondContact O-N 2.88Å; E26-K43 WeakPolarHBondContact OE1-CD 3.21Å; E26-K43 WeakPolarHBondContact OE1-CE 3.45Å; E26-K43 IonicContact OE1-NZ 3.3Å; E26-K43 PolarHBondContact OE1-NZ 2.81Å; E26-F44 HydrophobicContact CG-CE2 4.08Å
27W94.1Very high94.8Very high85 Ų8547.8 Ų47.832%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-68129.8175.5175.976.7000110.5G29 D30 N39 Y40 N41W27-G29 VanDerWaalsContact CZ2-CA 3.46Å; W27-G29 PolarHBondContact NE1-O 2.99Å; W27-D30 WeakPolarHBondContact CZ2-OD2 3.41Å; W27-N39 HydrophobicContact CH2-CB 3.96Å; W27-N39 HydrophobicContact CZ2-CB 4.08Å; W27-Y40 VanDerWaalsContact CH2-C 3.46Å; W27-Y40 VanDerWaalsContact CZ3-C 3.44Å; W27-N41 HydrophobicContact CE3-CB 3.66Å; W27-N41 HydrophobicContact CZ3-CB 3.8Å; W27-N41 WeakPolarHBondContact O-CB 3.47Å; W27-N41 PolarHBondContact O-ND2 2.8Å
28T95.3Very high94.8Very high0 Ų050.1 Ų50.10%032%0.317CS..EExtended strand (participates in β ladder)trans-96.6-43.9-178.3-61.70000111.5W16 E26 N41 F44 A48 M61W16-T28 HydrophobicContact CB-CG2 4.49Å; W16-T28 WeakPolarHBondContact O-CB 3.14Å; W16-T28 PolarHBondContact O-N 3.22Å; E26-T28 PolarHBondContact O-N 2.88Å; T28-N41 WeakPolarHBondContact O-CB 3.38Å; T28-N41 PolarHBondContact O-N 3.3Å; T28-F44 HydrophobicContact CG2-CB 3.76Å; T28-F44 HydrophobicContact CG2-CD1 3.7Å; T28-F44 HydrophobicContact CG2-CD2 4.15Å; T28-F44 HydrophobicContact CG2-CE1 4.35Å; T28-F44 HydrophobicContact CG2-CG 3.6Å; T28-A48 HydrophobicContact CG2-CB 4.23Å; T28-M61 HydrophobicContact CG2-SD 3.56Å; T28-M61 VanDerWaalsContact CG2-SD 3.56Å
29G95.4Very high94.8Very high0 Ų053.7 Ų53.70%034%0.336CS..EExtended strand (participates in β ladder)trans165.7173.8-173.900000111.4W16 W27 N39W16-G29 PolarHBondContact N-O 2.76Å; W27-G29 VanDerWaalsContact CZ2-CA 3.46Å; W27-G29 PolarHBondContact NE1-O 2.99Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.21Å
30D95.4Very high94.8Very high23 Ų2353.3 Ų53.312%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-144.6159.4174.154.647.3000112.4W13 I14 W27 T38 N39 L50W13-D30 HydrophobicContact CE3-CB 3.96Å; W13-D30 WeakPolarHBondContact CZ3-OD1 3.23Å; I14-D30 CarbonylContact O-C 3.57Å; I14-D30 WeakPolarHBondContact O-CA 3.18Å; I14-D30 WeakPolarHBondContact O-CB 3.43Å; W27-D30 WeakPolarHBondContact CZ2-OD2 3.41Å; D30-T38 VanDerWaalsContact O-CA 3.26Å; D30-T38 WeakPolarHBondContact O-CA 2.99Å; D30-N39 PolarHBondContact N-O 3.24Å; D30-N39 PolarHBondContact O-N 2.72Å; D30-N39 VanDerWaalsContact OD1-CB 3.31Å; D30-N39 WeakPolarHBondContact OD1-CB 2.97Å; D30-N39 PolarHBondContact OD1-ND2 3.09Å; D30-L50 VanDerWaalsContact C-CD1 3.49Å; D30-L50 WeakPolarHBondContact O-CD1 3.33Å
31I96.6Very high94.8Very high4 Ų452.2 Ų52.22%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-134.4133.5176.5-174.8158.1000109.9W13 I14 P33 S37 T38 L50 V52 A59W13-I31 VanDerWaalsContact CE3-C 3.41Å; I14-I31 HydrophobicContact CB-CG2 4.24Å; I14-I31 PolarHBondContact N-O 2.84Å; I14-I31 PolarHBondContact O-N 3.26Å; I31-P33 WeakPolarHBondContact O-CD 3.08Å; I31-S37 CarbonylContact C-O 3.58Å; I31-S37 WeakPolarHBondContact CA-O 3.28Å; I31-T38 HydrophobicContact CB-CG2 3.93Å; I31-T38 HydrophobicContact CD1-CG2 3.61Å; I31-T38 HydrophobicContact CG1-CG2 3.71Å; I31-L50 HydrophobicContact CB-CB 4.1Å; I31-L50 HydrophobicContact CB-CD1 4.37Å; I31-L50 HydrophobicContact CD1-CB 4.15Å; I31-L50 HydrophobicContact CG2-CB 4.41Å; I31-V52 HydrophobicContact CD1-CB 4.48Å; I31-V52 HydrophobicContact CD1-CG1 3.72Å; I31-V52 HydrophobicContact CD1-CG2 4.27Å; I31-V52 HydrophobicContact CG1-CG1 3.89Å; I31-V52 HydrophobicContact CG2-CG1 3.89Å; I31-A59 HydrophobicContact CG2-CB 4.35Å
32Y95.7Very high94.8Very high56 Ų5652.6 Ų52.622%0.2232%0.323CS..EExtended strand (participates in β ladder)trans-93.5108171.4-171.2-115.3000109.3T10 W13 G34 S35 G36 S37T10-Y32 PolarHBondContact O-OH 2.96Å; W13-Y32 AromaticContact CD1-CD2 3.83Å; W13-Y32 HydrophobicContact CD2-CD2 4.05Å; W13-Y32 HydrophobicContact CD2-CG 4.28Å; W13-Y32 AromaticContact CE2-CD2 3.94Å; W13-Y32 VanDerWaalsContact CE3-N 3.27Å; W13-Y32 AromaticContact CG-CD2 3.99Å; W13-Y32 HydrophobicContact CG-CD2 3.99Å; W13-Y32 HydrophobicContact CZ2-CG 4.27Å; W13-Y32 AromaticContact NE1-CD2 3.78Å; Y32-G34 PolarHBondContact O-N 2.96Å; Y32-G34 VanDerWaalsContact O-N 3.15Å; Y32-S35 WeakPolarHBondContact CD1-OG 3.36Å; Y32-S35 PolarHBondContact O-N 2.89Å; Y32-G36 VanDerWaalsContact O-CA 3.31Å; Y32-G36 WeakPolarHBondContact O-CA 3.41Å; Y32-G36 PolarHBondContact O-N 3.21Å; Y32-S37 PolarHBondContact N-O 2.79Å
33P96.1Very high94.8Very high0 Ų054.6 Ų54.60%030%0.304CS..THydrogen-bonded Turntrans-65.8-22.1-173.8-18.231.6000113.6F9 Y12 I14 I31 V52 K54F9-P33 HydrophobicContact CD1-CB 3.84Å; F9-P33 HydrophobicContact CD1-CG 4.17Å; F9-P33 HydrophobicContact CD2-CG 4.2Å; F9-P33 HydrophobicContact CE1-CB 3.49Å; F9-P33 VanDerWaalsContact CE1-CB 3.49Å; F9-P33 HydrophobicContact CE1-CG 3.75Å; F9-P33 HydrophobicContact CE2-CB 4.46Å; F9-P33 HydrophobicContact CE2-CG 3.8Å; F9-P33 HydrophobicContact CG-CB 4.48Å; F9-P33 HydrophobicContact CG-CG 4.41Å; F9-P33 HydrophobicContact CZ-CB 3.84Å; F9-P33 HydrophobicContact CZ-CG 3.54Å; Y12-P33 WeakPolarHBondContact O-CD 3.02Å; I14-P33 HydrophobicContact CG1-CG 3.94Å; I31-P33 WeakPolarHBondContact O-CD 3.08Å; P33-V52 HydrophobicContact CB-CB 4.26Å; P33-V52 HydrophobicContact CB-CG1 3.87Å; P33-V52 HydrophobicContact CB-CG2 4.39Å; P33-V52 HydrophobicContact CG-CG1 3.96Å; P33-K54 WeakPolarHBondContact O-CE 3.37Å; P33-K54 PolarHBondContact O-NZ 3.44Å; P33-K54 VanDerWaalsContact O-NZ 3.11Å
34G95.3Very high94.7Very high28 Ų2849.9 Ų49.929%0.28928%0.283SS..THydrogen-bonded Turntrans-60-55.6176.200000112.5T10 Y32 K54T10-G34 VanDerWaalsContact O-CA 3.24Å; T10-G34 WeakPolarHBondContact O-CA 3.32Å; T10-G34 PolarHBondContact O-N 3.46Å; Y32-G34 PolarHBondContact O-N 2.96Å; Y32-G34 VanDerWaalsContact O-N 3.15Å; G34-K54 PolarHBondContact O-NZ 3.36Å
35S95.4Very high94.8Very high74 Ų7452.3 Ų52.352%0.51728%0.276SS..THydrogen-bonded Turntrans-99.1-19.5-177.964.10000114.3Y32 S37Y32-S35 WeakPolarHBondContact CD1-OG 3.36Å; Y32-S35 PolarHBondContact O-N 2.89Å; S35-S37 VanDerWaalsContact C-N 3.27Å; S35-S37 VanDerWaalsContact OG-CB 3.28Å; S35-S37 WeakPolarHBondContact OG-CB 3.4Å; S35-S37 PolarHBondContact OG-N 2.89Å; S35-S37 VanDerWaalsContact OG-N 3.11Å; S35-S37 PolarHBondContact OG-OG 2.82Å
36G95.3Very high94.8Very high37 Ų3753.3 Ų53.338%0.38129%0.286SS..THydrogen-bonded Turntrans78.28.6-167.800000113.9Y32Y32-G36 VanDerWaalsContact O-CA 3.31Å; Y32-G36 WeakPolarHBondContact O-CA 3.41Å; Y32-G36 PolarHBondContact O-N 3.21Å
37S96.1Very high94.7Very high60 Ų6053.8 Ų53.842%0.4229%0.288SS..EExtended strand (participates in β ladder)trans-61138.7175.5-62.70000110.5W13 I31 Y32 S35W13-S37 WeakPolarHBondContact CZ3-O 3.41Å; I31-S37 CarbonylContact C-O 3.58Å; I31-S37 WeakPolarHBondContact CA-O 3.28Å; Y32-S37 PolarHBondContact N-O 2.79Å; S35-S37 VanDerWaalsContact C-N 3.27Å; S35-S37 VanDerWaalsContact OG-CB 3.28Å; S35-S37 WeakPolarHBondContact OG-CB 3.4Å; S35-S37 PolarHBondContact OG-N 2.89Å; S35-S37 VanDerWaalsContact OG-N 3.11Å; S35-S37 PolarHBondContact OG-OG 2.82Å
38T96.8Very high94.8Very high52 Ų5249.9 Ų49.932%0.31927%0.274SS..EExtended strand (participates in β ladder)trans-129.7142.6-178.849.50000111.1D30 I31 Y40 L50D30-T38 VanDerWaalsContact O-CA 3.26Å; D30-T38 WeakPolarHBondContact O-CA 2.99Å; I31-T38 HydrophobicContact CB-CG2 3.93Å; I31-T38 HydrophobicContact CD1-CG2 3.61Å; I31-T38 HydrophobicContact CG1-CG2 3.71Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.32Å; T38-L50 HydrophobicContact CG2-CB 3.98Å
39N95.8Very high94.9Very high76 Ų7653.1 Ų53.141%0.40629%0.294SS..EExtended strand (participates in β ladder)trans-122.4150.9166.2-54-66.2000109.6W13 W27 G29 D30W13-N39 WeakPolarHBondContact CH2-ND2 3.39Å; W13-N39 WeakPolarHBondContact CZ3-ND2 3.3Å; W27-N39 HydrophobicContact CH2-CB 3.96Å; W27-N39 HydrophobicContact CZ2-CB 4.08Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.21Å; D30-N39 PolarHBondContact N-O 3.24Å; D30-N39 PolarHBondContact O-N 2.72Å; D30-N39 VanDerWaalsContact OD1-CB 3.31Å; D30-N39 WeakPolarHBondContact OD1-CB 2.97Å; D30-N39 PolarHBondContact OD1-ND2 3.09Å
40Y95.8Very high95.1Very high56 Ų5653.5 Ų53.522%0.2230%0.296CS..EExtended strand (participates in β ladder)trans-132.5145.5-178.1-64.9-88000110.3W27 T38 K45 A48 L50W27-Y40 VanDerWaalsContact CH2-C 3.46Å; W27-Y40 VanDerWaalsContact CZ3-C 3.44Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.32Å; Y40-K45 HydrophobicContact CG-CG 4.43Å; Y40-A48 HydrophobicContact CD1-CB 4.45Å; Y40-A48 HydrophobicContact CE1-CB 4.31Å; Y40-A48 WeakPolarHBondContact CE1-O 3.19Å; Y40-L50 HydrophobicContact CE1-CD1 4.11Å; Y40-L50 HydrophobicContact CE1-CG 3.75Å; Y40-L50 PolarHBondContact OH-N 2.78Å; Y40-L50 VanDerWaalsContact OH-N 3.14Å
41N94.4Very high95.2Very high36 Ų3655.6 Ų55.619%0.19331%0.309CS..  trans-70.1136.8157.9-176.2-37.2000108.5W27 T28 K43 F44 K45W27-N41 HydrophobicContact CE3-CB 3.66Å; W27-N41 HydrophobicContact CZ3-CB 3.8Å; W27-N41 WeakPolarHBondContact O-CB 3.47Å; W27-N41 PolarHBondContact O-ND2 2.8Å; T28-N41 WeakPolarHBondContact O-CB 3.38Å; T28-N41 PolarHBondContact O-N 3.3Å; N41-K43 PolarHBondContact O-N 3.29Å; N41-K43 VanDerWaalsContact O-N 3.07Å; N41-K43 PolarHBondContact OD1-N 3.03Å; N41-F44 HydrophobicContact CB-CD2 4.06Å; N41-F44 CarbonylContact O-C 3.49Å; N41-F44 PolarHBondContact O-N 3.07Å; N41-K45 PolarHBondContact O-N 2.82Å
42E93.4Very high95.3Very high131 Ų13157.2 Ų57.261%0.61232%0.32SS*.THydrogen-bonded Turntrans-54-31.6-179.2-70.1-60.9146.400113F44 K45E42-F44 VanDerWaalsContact C-N 3.26Å; E42-F44 PolarHBondContact O-N 3.11Å; E42-K45 IonicContact OE1-NZ 2.72Å; E42-K45 PolarHBondContact OE1-NZ 2.88Å; E42-K45 WeakPolarHBondContact OE2-CD 3.34Å; E42-K45 IonicContact OE2-NZ 2.72Å; E42-K45 PolarHBondContact OE2-NZ 2.8Å
43K91.3Very high95.4Very high135 Ų13557.1 Ų57.159%0.58732%0.323SS*.THydrogen-bonded Turntrans-66-25.2175.1-65.7-178.7-173.9176.20114.3E26 N41E26-K43 WeakPolarHBondContact OE1-CD 3.21Å; E26-K43 WeakPolarHBondContact OE1-CE 3.45Å; E26-K43 IonicContact OE1-NZ 3.3Å; E26-K43 PolarHBondContact OE1-NZ 2.81Å; N41-K43 PolarHBondContact O-N 3.29Å; N41-K43 VanDerWaalsContact O-N 3.07Å; N41-K43 PolarHBondContact OD1-N 3.03Å
44F91.6Very high95.4Very high4 Ų462.3 Ų62.32%0.01835%0.345CS..THydrogen-bonded Turntrans-111.9-10.9-174.4-68.3-85.9000113.4K18 E26 T28 N41 E42 T46 K47 A48K18-F44 HydrophobicContact CB-CZ 4.46Å; K18-F44 HydrophobicContact CD-CE1 4.03Å; K18-F44 HydrophobicContact CD-CZ 3.53Å; E26-F44 HydrophobicContact CG-CE2 4.08Å; T28-F44 HydrophobicContact CG2-CB 3.76Å; T28-F44 HydrophobicContact CG2-CD1 3.7Å; T28-F44 HydrophobicContact CG2-CD2 4.15Å; T28-F44 HydrophobicContact CG2-CE1 4.35Å; T28-F44 HydrophobicContact CG2-CG 3.6Å; N41-F44 HydrophobicContact CB-CD2 4.06Å; N41-F44 CarbonylContact O-C 3.49Å; N41-F44 PolarHBondContact O-N 3.07Å; E42-F44 VanDerWaalsContact C-N 3.26Å; E42-F44 PolarHBondContact O-N 3.11Å; F44-T46 PolarHBondContact O-N 2.88Å; F44-K47 CarbonylContact O-C 3.58Å; F44-K47 PolarHBondContact O-N 3.44Å; F44-A48 HydrophobicContact CB-CB 4.2Å; F44-A48 WeakPolarHBondContact O-CB 3.39Å; F44-A48 PolarHBondContact O-N 2.83Å
45K92.5Very high95.4Very high111 Ų11166.3 Ų66.348%0.48337%0.369SS..THydrogen-bonded Turntrans-54.1-30.6-177.8-167.1176.2-169.5172.60114.4Y40 N41 E42Y40-K45 HydrophobicContact CG-CG 4.43Å; N41-K45 PolarHBondContact O-N 2.82Å; E42-K45 IonicContact OE1-NZ 2.72Å; E42-K45 PolarHBondContact OE1-NZ 2.88Å; E42-K45 WeakPolarHBondContact OE2-CD 3.34Å; E42-K45 IonicContact OE2-NZ 2.72Å; E42-K45 PolarHBondContact OE2-NZ 2.8Å
46T93.2Very high95.5Very high120 Ų12064.5 Ų64.574%0.73636%0.356SS*.THydrogen-bonded Turntrans-97.3-11.1177.456.80000113.8F44F44-T46 PolarHBondContact O-N 2.88Å
47K94.3Very high95.6Very high41 Ų4164.7 Ų64.718%0.17835%0.351CS..THydrogen-bonded Turntrans-108-25.8-175.4-65.6-176.1177.2-172.20113.2F44 L63 S64 D70F44-K47 CarbonylContact O-C 3.58Å; F44-K47 PolarHBondContact O-N 3.44Å; K47-L63 CarbonylContact O-C 3.48Å; K47-L63 VanDerWaalsContact O-CA 3.28Å; K47-L63 WeakPolarHBondContact O-CA 3.41Å; K47-S64 PolarHBondContact O-N 2.92Å; K47-S64 PolarHBondContact O-OG 2.77Å; K47-D70 IonicContact NZ-OD1 3.44Å; K47-D70 PolarHBondContact NZ-OD1 3.24Å; K47-D70 IonicContact NZ-OD2 3.29Å; K47-D70 PolarHBondContact NZ-OD2 2.82Å
48A95.9Very high95.7Very high4 Ų462.2 Ų62.23%0.03333%0.334CS..EExtended strand (participates in β ladder)trans-113.7134.7-173.900000110.6T28 Y40 F44 M61 Q62 L63T28-A48 HydrophobicContact CG2-CB 4.23Å; Y40-A48 HydrophobicContact CD1-CB 4.45Å; Y40-A48 HydrophobicContact CE1-CB 4.31Å; Y40-A48 WeakPolarHBondContact CE1-O 3.19Å; F44-A48 HydrophobicContact CB-CB 4.2Å; F44-A48 WeakPolarHBondContact O-CB 3.39Å; F44-A48 PolarHBondContact O-N 2.83Å; A48-M61 HydrophobicContact CB-CG 4.35Å; A48-Q62 CarbonylContact C-O 3.57Å; A48-Q62 WeakPolarHBondContact CA-O 3.11Å; A48-L63 HydrophobicContact CB-CD2 3.91Å
49T97.6Very high95.7Very high67 Ų6759.8 Ų59.841%0.41132%0.319SS..EExtended strand (participates in β ladder)trans-118.5122.1167.5-58.40000108.2T51 Q62T49-T51 HydrophobicContact CG2-CG2 4.2Å; T49-Q62 PolarHBondContact N-O 2.95Å; T49-Q62 PolarHBondContact O-N 2.88Å
50L98.1Very high95.8Very high9 Ų960.1 Ų60.15%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-99.3131.1178.2-54.9-176.6000110.7W16 D30 I31 T38 Y40 Y60 M61W16-L50 HydrophobicContact CG-CD2 4.31Å; D30-L50 VanDerWaalsContact C-CD1 3.49Å; D30-L50 WeakPolarHBondContact O-CD1 3.33Å; I31-L50 HydrophobicContact CB-CB 4.1Å; I31-L50 HydrophobicContact CB-CD1 4.37Å; I31-L50 HydrophobicContact CD1-CB 4.15Å; I31-L50 HydrophobicContact CG2-CB 4.41Å; T38-L50 HydrophobicContact CG2-CB 3.98Å; Y40-L50 HydrophobicContact CE1-CD1 4.11Å; Y40-L50 HydrophobicContact CE1-CG 3.75Å; Y40-L50 PolarHBondContact OH-N 2.78Å; Y40-L50 VanDerWaalsContact OH-N 3.14Å; L50-Y60 WeakPolarHBondContact CA-O 3.26Å; L50-M61 HydrophobicContact CD2-CB 3.6Å; L50-M61 HydrophobicContact CD2-CG 3.6Å; L50-M61 HydrophobicContact CD2-SD 4.17Å
51T98.2Very high95.9Very high66 Ų6658.8 Ų58.841%0.40531%0.311SS..EExtended strand (participates in β ladder)trans-138.8164.4177.264.80000111.3T49 Y60T49-T51 HydrophobicContact CG2-CG2 4.2Å; T51-Y60 PolarHBondContact N-O 2.87Å; T51-Y60 PolarHBondContact O-N 2.76Å
52V97.9Very high96Very high39 Ų3963.5 Ų63.524%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-135.4141.9178.9-70.80000110.9F9 I31 P33 T58 A59F9-V52 HydrophobicContact CE1-CB 4.42Å; F9-V52 HydrophobicContact CE1-CG1 4.45Å; F9-V52 HydrophobicContact CZ-CG1 4.16Å; I31-V52 HydrophobicContact CD1-CB 4.48Å; I31-V52 HydrophobicContact CD1-CG1 3.72Å; I31-V52 HydrophobicContact CD1-CG2 4.27Å; I31-V52 HydrophobicContact CG1-CG1 3.89Å; I31-V52 HydrophobicContact CG2-CG1 3.89Å; P33-V52 HydrophobicContact CB-CB 4.26Å; P33-V52 HydrophobicContact CB-CG1 3.87Å; P33-V52 HydrophobicContact CB-CG2 4.39Å; P33-V52 HydrophobicContact CG-CG1 3.96Å; V52-T58 WeakPolarHBondContact CA-O 3.48Å; V52-A59 HydrophobicContact CG1-CB 4.18Å
53D97.6Very high96.1Very high54 Ų5459 Ų5929%0.28931%0.312SS..EExtended strand (participates in β ladder)trans-111.6106.6163.21749.7000108.4S55 S56 S57 T58 Y60D53-S55 VanDerWaalsContact C-N 3.28Å; D53-S55 PolarHBondContact O-N 2.9Å; D53-S55 WeakPolarHBondContact OD1-CB 3.44Å; D53-S55 PolarHBondContact OD1-N 3.48Å; D53-S55 PolarHBondContact OD1-OG 2.82Å; D53-S55 PolarHBondContact OD2-OG 3.16Å; D53-S56 PolarHBondContact OD1-N 3.24Å; D53-S56 VanDerWaalsContact OD2-CB 3.27Å; D53-S56 WeakPolarHBondContact OD2-CB 3.28Å; D53-S56 PolarHBondContact OD2-OG 2.95Å; D53-S57 PolarHBondContact O-N 2.95Å; D53-S57 VanDerWaalsContact O-N 3.1Å; D53-T58 PolarHBondContact N-O 3.44Å; D53-T58 PolarHBondContact O-N 2.84Å; D53-Y60 HydrophobicContact CB-CE2 3.92Å
54K96.1Very high96.2Very high109 Ų10955 Ų5547%0.47430%0.301SS..THydrogen-bonded Turntrans-68.8-29.4-178.3-53.6-171.8-164.8-164.60111.7T10 P33 G34 S57T10-K54 HydrophobicContact CG2-CD 4.23Å; T10-K54 HydrophobicContact CG2-CG 4.47Å; P33-K54 WeakPolarHBondContact O-CE 3.37Å; P33-K54 PolarHBondContact O-NZ 3.44Å; P33-K54 VanDerWaalsContact O-NZ 3.11Å; G34-K54 PolarHBondContact O-NZ 3.36Å; K54-S57 PolarHBondContact O-N 2.9Å
55S96Very high96.1Very high111 Ų11159.6 Ų59.678%0.77633%0.334SS*.THydrogen-bonded Turntrans-69-38.9-177.173.30000111.9D53D53-S55 VanDerWaalsContact C-N 3.28Å; D53-S55 PolarHBondContact O-N 2.9Å; D53-S55 WeakPolarHBondContact OD1-CB 3.44Å; D53-S55 PolarHBondContact OD1-N 3.48Å; D53-S55 PolarHBondContact OD1-OG 2.82Å; D53-S55 PolarHBondContact OD2-OG 3.16Å
56S97.2Very high96Very high37 Ų3757.9 Ų57.926%0.25933%0.33SS..THydrogen-bonded Turntrans-94.2-1176.867.20000113.9D53 T58D53-S56 PolarHBondContact OD1-N 3.24Å; D53-S56 VanDerWaalsContact OD2-CB 3.27Å; D53-S56 WeakPolarHBondContact OD2-CB 3.28Å; D53-S56 PolarHBondContact OD2-OG 2.95Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 3.32Å; S56-T58 PolarHBondContact O-OG1 2.86Å; S56-T58 WeakPolarHBondContact OG-CB 3.49Å; S56-T58 PolarHBondContact OG-OG1 2.03Å
57S97.1Very high96Very high40 Ų4055.7 Ų55.728%0.2832%0.316SS..THydrogen-bonded Turntrans52.644.5-172.6-62.30000112.7A4 D53 K54A4-S57 PolarHBondContact N-O 3.07Å; D53-S57 PolarHBondContact O-N 2.95Å; D53-S57 VanDerWaalsContact O-N 3.1Å; K54-S57 PolarHBondContact O-N 2.9Å
58T98.1Very high95.8Very high9 Ų959.1 Ų59.16%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-121129.7-174.9-52.20000111C2 K3 V52 D53 S56 Y60C2-T58 WeakPolarHBondContact O-CA 3.17Å; K3-T58 HydrophobicContact CB-CG2 4.47Å; V52-T58 WeakPolarHBondContact CA-O 3.48Å; D53-T58 PolarHBondContact N-O 3.44Å; D53-T58 PolarHBondContact O-N 2.84Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 3.32Å; S56-T58 PolarHBondContact O-OG1 2.86Å; S56-T58 WeakPolarHBondContact OG-CB 3.49Å; S56-T58 PolarHBondContact OG-OG1 2.03Å; T58-Y60 HydrophobicContact CG2-CD1 4.48Å; T58-Y60 HydrophobicContact CG2-CD2 4.26Å; T58-Y60 HydrophobicContact CG2-CE1 3.86Å; T58-Y60 HydrophobicContact CG2-CE2 3.61Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.31Å
59A98Very high95.4Very high0 Ų065 Ų650%037%0.372CS..EExtended strand (participates in β ladder)trans-97.1149167.900000110.5S1 C2 F9 I14 I31 V52S1-A59 CarbonylContact C-O 3.57Å; S1-A59 WeakPolarHBondContact CA-O 3.3Å; C2-A59 PolarHBondContact N-O 3.23Å; C2-A59 PolarHBondContact O-N 3.25Å; F9-A59 HydrophobicContact CE2-CB 4.38Å; F9-A59 HydrophobicContact CZ-CB 4.09Å; I14-A59 HydrophobicContact CB-CB 4.07Å; I14-A59 HydrophobicContact CG1-CB 4.16Å; I14-A59 HydrophobicContact CG2-CB 3.78Å; I31-A59 HydrophobicContact CG2-CB 4.35Å; V52-A59 HydrophobicContact CG1-CB 4.18Å
60Y98.3Very high95.1Very high84 Ų8462.2 Ų62.233%0.32935%0.354SS..EExtended strand (participates in β ladder)trans-129.7143.4-179.4-58.2-95.3000109.9S1 L50 T51 D53 T58S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; S1-Y60 VanDerWaalsContact CB-CE1 3.44Å; L50-Y60 WeakPolarHBondContact CA-O 3.26Å; T51-Y60 PolarHBondContact N-O 2.87Å; T51-Y60 PolarHBondContact O-N 2.76Å; D53-Y60 HydrophobicContact CB-CE2 3.92Å; T58-Y60 HydrophobicContact CG2-CD1 4.48Å; T58-Y60 HydrophobicContact CG2-CD2 4.26Å; T58-Y60 HydrophobicContact CG2-CE1 3.86Å; T58-Y60 HydrophobicContact CG2-CE2 3.61Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.31Å
61M97.6Very high94.9Very high27 Ų2765 Ų6513%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-121.5116.7164.5177.1173.77300106.6W16 T28 A48 L50 L63 Y74W16-M61 HydrophobicContact CB-CE 4.29Å; W16-M61 HydrophobicContact CB-SD 3.65Å; W16-M61 HydrophobicContact CD2-CB 3.65Å; W16-M61 HydrophobicContact CD2-CE 4.06Å; W16-M61 HydrophobicContact CD2-CG 4.44Å; W16-M61 HydrophobicContact CD2-SD 3.96Å; W16-M61 HydrophobicContact CE3-CB 4.11Å; W16-M61 HydrophobicContact CE3-CE 3.72Å; W16-M61 HydrophobicContact CE3-SD 4.24Å; W16-M61 HydrophobicContact CG-CB 4.04Å; W16-M61 HydrophobicContact CG-CE 4.33Å; W16-M61 HydrophobicContact CG-CG 4.46Å; W16-M61 HydrophobicContact CG-SD 3.7Å; W16-M61 HydrophobicContact CH2-CB 4.31Å; W16-M61 HydrophobicContact CZ2-CB 3.88Å; W16-M61 HydrophobicContact CZ3-CB 4.41Å; W16-M61 HydrophobicContact CZ3-CE 4.38Å; T28-M61 HydrophobicContact CG2-SD 3.56Å; T28-M61 VanDerWaalsContact CG2-SD 3.56Å; A48-M61 HydrophobicContact CB-CG 4.35Å; L50-M61 HydrophobicContact CD2-CB 3.6Å; L50-M61 HydrophobicContact CD2-CG 3.6Å; L50-M61 HydrophobicContact CD2-SD 4.17Å; M61-L63 HydrophobicContact CE-CD1 4.01Å; M61-L63 HydrophobicContact CE-CD2 4.24Å; M61-L63 HydrophobicContact CE-CG 4.17Å; M61-L63 HydrophobicContact CG-CD2 4.15Å; M61-L63 HydrophobicContact CG-CG 4.26Å; M61-L63 HydrophobicContact SD-CD2 4.12Å; M61-Y74 HydrophobicContact CE-CD1 3.42Å; M61-Y74 VanDerWaalsContact CE-CD1 3.42Å; M61-Y74 HydrophobicContact CE-CE1 3.93Å; M61-Y74 HydrophobicContact CE-CG 4.15Å
62Q97.1Very high94.8Very high136 Ų13662 Ų6264%0.63636%0.357SS*.EExtended strand (participates in β ladder)trans-96.8122.6171-177.5175.25.100107.9A48 T49A48-Q62 CarbonylContact C-O 3.57Å; A48-Q62 WeakPolarHBondContact CA-O 3.11Å; T49-Q62 PolarHBondContact N-O 2.95Å; T49-Q62 PolarHBondContact O-N 2.88Å
63L94.8Very high94.8Very high35 Ų3562.3 Ų62.318%0.18336%0.359CS..EExtended strand (participates in β ladder)trans-100.6136.5175.2-65.6170.3000109.8K47 A48 M61 L66 Y74K47-L63 CarbonylContact O-C 3.48Å; K47-L63 VanDerWaalsContact O-CA 3.28Å; K47-L63 WeakPolarHBondContact O-CA 3.41Å; A48-L63 HydrophobicContact CB-CD2 3.91Å; M61-L63 HydrophobicContact CE-CD1 4.01Å; M61-L63 HydrophobicContact CE-CD2 4.24Å; M61-L63 HydrophobicContact CE-CG 4.17Å; M61-L63 HydrophobicContact CG-CD2 4.15Å; M61-L63 HydrophobicContact CG-CG 4.26Å; M61-L63 HydrophobicContact SD-CD2 4.12Å; L63-L66 HydrophobicContact CB-CD1 3.98Å; L63-L66 HydrophobicContact CB-CD2 3.78Å; L63-L66 HydrophobicContact CB-CG 4.06Å; L63-L66 HydrophobicContact CD1-CD1 4.45Å; L63-L66 HydrophobicContact CD1-CD2 4.21Å; L63-L66 HydrophobicContact CG-CD2 4.41Å; L63-Y74 HydrophobicContact CD1-CD1 4.41Å; L63-Y74 HydrophobicContact CD1-CE1 3.86Å; L63-Y74 HydrophobicContact CD1-CE2 4.25Å
64S93.8Very high94.8Very high52 Ų5260 Ų6036%0.36435%0.346SS..  trans-130.4159176.865.30000110.5K47 L66K47-S64 PolarHBondContact O-N 2.92Å; K47-S64 PolarHBondContact O-OG 2.77Å; S64-L66 VanDerWaalsContact C-N 3.27Å; S64-L66 PolarHBondContact O-N 2.85Å
65S89.9Confident94.9Very high100 Ų10056.9 Ų56.970%0.69933%0.332SS*.SBendtrans54.340.5177.7-54.40000113.8
66L90.1Very high94.9Very high76 Ų7652.3 Ų52.340%0.39830%0.3SS..  trans-69.4140.3-178.1-68.3-178.5000112L63 S64 D70 V98L63-L66 HydrophobicContact CB-CD1 3.98Å; L63-L66 HydrophobicContact CB-CD2 3.78Å; L63-L66 HydrophobicContact CB-CG 4.06Å; L63-L66 HydrophobicContact CD1-CD1 4.45Å; L63-L66 HydrophobicContact CD1-CD2 4.21Å; L63-L66 HydrophobicContact CG-CD2 4.41Å; S64-L66 VanDerWaalsContact C-N 3.27Å; S64-L66 PolarHBondContact O-N 2.85Å; L66-D70 HydrophobicContact CB-CB 4.46Å; L66-D70 HydrophobicContact CD2-CB 3.64Å; L66-V98 HydrophobicContact CD1-CG1 4.2Å
67T91.6Very high94.8Very high73 Ų7350.8 Ų50.845%0.44829%0.289SS..  trans-113.4173.6171690000110.8E69 D70T67-E69 PolarHBondContact O-N 2.83Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-E69 PolarHBondContact OG1-N 2.97Å; T67-D70 PolarHBondContact N-OD2 2.99Å; T67-D70 VanDerWaalsContact N-OD2 3.09Å; T67-D70 WeakPolarHBondContact O-CB 3.47Å; T67-D70 PolarHBondContact O-N 3.02Å
68S90.8Very high94.5Very high113 Ų11350.1 Ų50.179%0.7928%0.28SS*.G310 helixtrans-57.9-27.8175.252.50000113D70 S71S68-D70 PolarHBondContact O-N 3.4Å; S68-S71 PolarHBondContact O-N 2.79Å
69E88.4Confident93.7Very high129 Ų12950 Ų5060%0.60328%0.28SS*.G310 helixtrans-68.9-15.8174.6-61.1-175.7177.200112.9K18 R20 T67K18-E69 PolarHBondContact NZ-O 3.02Å; R20-E69 PolarHBondContact NE-O 2.89Å; R20-E69 PolarHBondContact NH2-O 2.86Å; T67-E69 PolarHBondContact O-N 2.83Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-E69 PolarHBondContact OG1-N 2.97Å
70D91.2Very high92.5Very high7 Ų751.4 Ų51.44%0.03729%0.289CS..G310 helixtrans-85.5-12.3177.9-64-47.1000113.6K18 K47 L66 T67 S68 A72 Y74K18-D70 WeakPolarHBondContact CE-O 2.87Å; K18-D70 IonicContact NZ-OD1 2.86Å; K18-D70 PolarHBondContact NZ-OD1 3.09Å; K47-D70 IonicContact NZ-OD1 3.44Å; K47-D70 PolarHBondContact NZ-OD1 3.24Å; K47-D70 IonicContact NZ-OD2 3.29Å; K47-D70 PolarHBondContact NZ-OD2 2.82Å; L66-D70 HydrophobicContact CB-CB 4.46Å; L66-D70 HydrophobicContact CD2-CB 3.64Å; T67-D70 PolarHBondContact N-OD2 2.99Å; T67-D70 VanDerWaalsContact N-OD2 3.09Å; T67-D70 WeakPolarHBondContact O-CB 3.47Å; T67-D70 PolarHBondContact O-N 3.02Å; S68-D70 PolarHBondContact O-N 3.4Å; D70-A72 PolarHBondContact O-N 2.8Å; D70-Y74 WeakPolarHBondContact O-CE2 3.23Å; D70-Y74 PolarHBondContact O-OH 3.4Å
71S94.2Very high91Very high67 Ų6754.6 Ų54.647%0.46930%0.301SS..  trans-65.4123.4178.2-169.60000111.8S68 V98S68-S71 PolarHBondContact O-N 2.79Å; S71-V98 VanDerWaalsContact CA-O 3.25Å; S71-V98 WeakPolarHBondContact CA-O 3.4Å; S71-V98 PolarHBondContact OG-O 2.63Å
72A96.1Very high89.5Confident5 Ų558.4 Ų58.44%0.04132%0.322CS..SBendtrans-170.5170.3-168.500000110.6K18 Q19 R20 D70 Y74 V98K18-A72 HydrophobicContact CD-CB 4.09Å; K18-A72 HydrophobicContact CG-CB 3.39Å; Q19-A72 VanDerWaalsContact O-CB 3.3Å; Q19-A72 WeakPolarHBondContact O-CB 3.38Å; R20-A72 HydrophobicContact CG-CB 4.16Å; D70-A72 PolarHBondContact O-N 2.8Å; A72-Y74 HydrophobicContact CB-CD2 4.3Å; A72-Y74 HydrophobicContact CB-CE2 3.88Å; A72-V98 PolarHBondContact N-O 2.93Å; A72-V98 PolarHBondContact O-N 3.38Å
73V97.7Very high87.6Confident45 Ų4559.1 Ų59.127%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-86.2128.7161.2-173.50000108.5K18 Q19 Y75 T96K18-V73 CarbonylContact C-O 3.59Å; Q19-V73 PolarHBondContact N-O 2.78Å; Q19-V73 PolarHBondContact O-N 3.17Å; V73-Y75 HydrophobicContact CB-CE2 3.88Å; V73-Y75 HydrophobicContact CG1-CD1 4.47Å; V73-Y75 HydrophobicContact CG1-CD2 4.25Å; V73-Y75 HydrophobicContact CG1-CE1 3.82Å; V73-Y75 HydrophobicContact CG1-CE2 3.58Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.47Å; V73-T96 CarbonylContact C-O 3.48Å; V73-T96 WeakPolarHBondContact CA-O 3.16Å
74Y97.6Very high86Confident4 Ų464.3 Ų64.32%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-107.6129.1176.3-72.9-95.9000110.2V17 K18 M61 L63 D70 A72 G95 T96 V98V17-Y74 CarbonylContact O-C 3.46Å; V17-Y74 WeakPolarHBondContact O-CA 3.19Å; K18-Y74 HydrophobicContact CB-CD1 4.02Å; K18-Y74 HydrophobicContact CB-CE1 3.76Å; K18-Y74 HydrophobicContact CD-CE1 4.09Å; K18-Y74 HydrophobicContact CG-CD1 4.31Å; K18-Y74 HydrophobicContact CG-CE1 3.79Å; K18-Y74 HydrophobicContact CG-CE2 4.28Å; M61-Y74 HydrophobicContact CE-CD1 3.42Å; M61-Y74 VanDerWaalsContact CE-CD1 3.42Å; M61-Y74 HydrophobicContact CE-CE1 3.93Å; M61-Y74 HydrophobicContact CE-CG 4.15Å; L63-Y74 HydrophobicContact CD1-CD1 4.41Å; L63-Y74 HydrophobicContact CD1-CE1 3.86Å; L63-Y74 HydrophobicContact CD1-CE2 4.25Å; D70-Y74 WeakPolarHBondContact O-CE2 3.23Å; D70-Y74 PolarHBondContact O-OH 3.4Å; A72-Y74 HydrophobicContact CB-CD2 4.3Å; A72-Y74 HydrophobicContact CB-CE2 3.88Å; Y74-G95 CarbonylContact O-C 3.57Å; Y74-G95 WeakPolarHBondContact O-CA 3Å; Y74-T96 PolarHBondContact N-O 3.15Å; Y74-T96 PolarHBondContact O-N 3.47Å; Y74-V98 HydrophobicContact CD2-CB 3.76Å; Y74-V98 HydrophobicContact CD2-CG2 3.71Å; Y74-V98 HydrophobicContact CE2-CB 3.84Å; Y74-V98 HydrophobicContact CE2-CG1 4.48Å; Y74-V98 HydrophobicContact CE2-CG2 4.26Å; Y74-V98 HydrophobicContact CG-CG2 4.47Å
75Y97.4Very high84.4Confident45 Ų4566.2 Ų66.218%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-114.3148.3178.6-54.6-91.6000109.8W16 V17 Q19 V73 W92W16-Y75 WeakPolarHBondContact CA-O 3.41Å; V17-Y75 PolarHBondContact N-O 3.14Å; V17-Y75 PolarHBondContact O-N 2.87Å; Q19-Y75 HydrophobicContact CB-CD2 4.45Å; Q19-Y75 HydrophobicContact CB-CE2 3.76Å; Q19-Y75 PolarHBondContact OE1-OH 3.48Å; V73-Y75 HydrophobicContact CB-CE2 3.88Å; V73-Y75 HydrophobicContact CG1-CD1 4.47Å; V73-Y75 HydrophobicContact CG1-CD2 4.25Å; V73-Y75 HydrophobicContact CG1-CE1 3.82Å; V73-Y75 HydrophobicContact CG1-CE2 3.58Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.47Å; Y75-W92 HydrophobicContact CD1-CE3 4.45Å; Y75-W92 HydrophobicContact CD2-CZ3 4.49Å; Y75-W92 HydrophobicContact CG-CE3 4.07Å; Y75-W92 HydrophobicContact CG-CZ3 4.21Å
76C96.5Very high82.9Confident15 Ų1567 Ų6710%0.10134%0.343CS..EExtended strand (participates in β ladder)trans-99.8147.1156.161.20000109.2C2 I14 T15 W16 G93C2-C76 HydrophobicContact CB-CB 3.42Å; C2-C76 VanDerWaalsContact CB-CB 3.42Å; C2-C76 WeakPolarHBondContact CB-SG 3.4Å; C2-C76 WeakPolarHBondContact SG-CB 3.5Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.74Å; I14-C76 HydrophobicContact CG2-CB 4.41Å; T15-C76 CarbonylContact O-C 3.48Å; T15-C76 VanDerWaalsContact O-CA 3.23Å; T15-C76 WeakPolarHBondContact O-CA 3.4Å; W16-C76 HydrophobicContact CD2-CB 4.38Å; W16-C76 HydrophobicContact CE3-CB 4.13Å; W16-C76 HydrophobicContact CH2-CB 4.21Å; W16-C76 HydrophobicContact CZ2-CB 4.44Å; W16-C76 HydrophobicContact CZ3-CB 4.05Å; C76-G93 PolarHBondContact O-N 3.11Å
77A95Very high81.5Confident5 Ų573.2 Ų73.24%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-141.2162.3178.200000110.6T15 M89 Y91 W92T15-A77 PolarHBondContact N-O 3.19Å; T15-A77 PolarHBondContact O-N 3.11Å; A77-M89 HydrophobicContact CB-CB 3.95Å; A77-M89 HydrophobicContact CB-CG 4.02Å; A77-Y91 CarbonylContact C-O 3.58Å; A77-Y91 WeakPolarHBondContact CA-O 3.38Å; A77-Y91 WeakPolarHBondContact CB-O 3.24Å; A77-W92 HydrophobicContact CB-CD2 3.73Å; A77-W92 HydrophobicContact CB-CE3 3.87Å; A77-W92 HydrophobicContact CB-CG 4.24Å; A77-W92 HydrophobicContact CB-CH2 4.22Å; A77-W92 HydrophobicContact CB-CZ2 4.12Å; A77-W92 HydrophobicContact CB-CZ3 4.12Å
78R90.6Very high80.3Confident25 Ų2571.4 Ų71.49%0.09436%0.355CS..EExtended strand (participates in β ladder)trans-130129.4177.6-170.1-163.272.7-176.40.3109.4Y12 D90 Y91Y12-R78 HydrophobicContact CD1-CG 4.03Å; Y12-R78 HydrophobicContact CG-CG 4.16Å; R78-D90 PolarHBondContact O-N 2.59Å; R78-Y91 PolarHBondContact N-O 3.45Å; R78-Y91 PolarHBondContact O-N 3.37Å
79P81.3Confident79.8Confident7 Ų768.7 Ų68.75%0.04533%0.33CS..  trans-69.5164.617129.9-32.1000111.8W13 A88W13-P79 HydrophobicContact CB-CG 4.05Å; W13-P79 VanDerWaalsContact O-CD 3.28Å; W13-P79 WeakPolarHBondContact O-CD 3.49Å; P79-A88 WeakPolarHBondContact CA-O 3.31Å
80P73.6Confident79.4Confident29 Ų2966.9 Ų66.919%0.18833%0.325CS..  trans-57.7163.1167.812.2-16.8000111.6D82 A88 D90P80-D82 PolarHBondContact O-N 3.03Å; P80-A88 WeakPolarHBondContact CD-O 3.4Å; P80-A88 HydrophobicContact CG-CB 4.27Å; P80-D90 WeakPolarHBondContact CB-OD2 3.28Å; P80-D90 WeakPolarHBondContact CG-OD2 3.27Å
81Y66.8Low79.3Confident151 Ų15173.1 Ų73.159%0.59235%0.349SS*.SBendtrans-67.4-20.5173.5-173.2-112000112.7Y12Y12-Y81 AromaticContact CE1-CD2 3.78Å; Y12-Y81 HydrophobicContact CE1-CD2 3.78Å; Y12-Y81 HydrophobicContact CE1-CG 4.22Å; Y12-Y81 HydrophobicContact CE2-CD2 4.27Å; Y12-Y81 AromaticContact CZ-CD2 3.53Å; Y12-Y81 VanDerWaalsContact OH-CD2 3.3Å; Y12-Y81 WeakPolarHBondContact OH-CD2 3.49Å
82D65.5Low79.3Confident107 Ų10774.6 Ų74.657%0.57234%0.344SS*.  trans-77.7124.7-171.8-149.5-17.6000111.7P80 D84 N85P80-D82 PolarHBondContact O-N 3.03Å; D82-D84 PolarHBondContact O-N 3.41Å; D82-D84 VanDerWaalsContact O-N 3.16Å; D82-N85 PolarHBondContact O-N 3Å
83Y57Low79.3Confident151 Ų15175.6 Ų75.659%0.59236%0.355SS*.THydrogen-bonded Turntrans-67.6-14.4-172.4-80.6-94.7000113.2Y86Y83-Y86 WeakPolarHBondContact CD1-OH 2.9Å; Y83-Y86 WeakPolarHBondContact O-CD2 3.49Å; Y83-Y86 WeakPolarHBondContact O-CE2 3.39Å
84D60Low79.2Confident145 Ų14582.4 Ų82.478%0.77538%0.384SS*.THydrogen-bonded Turntrans-87.4-8.9-175.9-78-22.7000114.1D82D82-D84 PolarHBondContact O-N 3.41Å; D82-D84 VanDerWaalsContact O-N 3.16Å
85N61.7Low79.1Confident91 Ų9183.7 Ų83.749%0.48740%0.398SS..  trans-138.557.2-174-120.9-49000114.7D82 Y87 A88D82-N85 PolarHBondContact O-N 3Å; N85-Y87 PolarHBondContact O-N 3.38Å; N85-A88 PolarHBondContact O-N 3.1Å
86Y57.6Low79Confident116 Ų11685.4 Ų85.446%0.45541%0.413SS..THydrogen-bonded Turntrans-56.3-13.4174.4-74.3-80.7000115.4Y83Y83-Y86 WeakPolarHBondContact CD1-OH 2.9Å; Y83-Y86 WeakPolarHBondContact O-CD2 3.49Å; Y83-Y86 WeakPolarHBondContact O-CE2 3.39Å
87Y60.6Low79Confident207 Ų20789.2 Ų89.281%0.81244%0.44SS*.THydrogen-bonded Turntrans-92.4-14.8-177-57.9-70000114.1N85N85-Y87 PolarHBondContact O-N 3.38Å
88A67.1Low78.9Confident35 Ų3593.2 Ų93.229%0.28946%0.464SS..  trans-85.6126.517300000108.8P79 P80 N85P79-A88 WeakPolarHBondContact CA-O 3.31Å; P80-A88 WeakPolarHBondContact CD-O 3.4Å; P80-A88 HydrophobicContact CG-CB 4.27Å; N85-A88 PolarHBondContact O-N 3.1Å
89M79.3Confident78.3Confident56 Ų5696.6 Ų96.628%0.27648%0.482SS..  trans-107.6102.4170.8-64.487.4171.800108.4T15 A77 W92T15-M89 HydrophobicContact CG2-CE 4.15Å; A77-M89 HydrophobicContact CB-CB 3.95Å; A77-M89 HydrophobicContact CB-CG 4.02Å; M89-W92 HydrophobicContact CB-CZ2 3.62Å; M89-W92 HydrophobicContact CG-CZ2 4.08Å; M89-W92 PolarHBondContact O-NE1 3.29Å; M89-W92 HydrophobicContact SD-CZ2 4.35Å
90D80.6Confident78.1Confident91 Ų91101.3 Ų101.349%0.48751%0.505SS..  trans-81.1-24.4-172.7-66.1-15.6000112.8R78 P80R78-D90 PolarHBondContact O-N 2.59Å; P80-D90 WeakPolarHBondContact CB-OD2 3.28Å; P80-D90 WeakPolarHBondContact CG-OD2 3.27Å
91Y89.4Confident78.4Confident138 Ų138105.3 Ų105.354%0.54152%0.523SS..EExtended strand (participates in β ladder)trans-128.7129.3-174.6-59.8-95.3000110.5A77 R78A77-Y91 CarbonylContact C-O 3.58Å; A77-Y91 WeakPolarHBondContact CA-O 3.38Å; A77-Y91 WeakPolarHBondContact CB-O 3.24Å; R78-Y91 PolarHBondContact N-O 3.45Å; R78-Y91 PolarHBondContact O-N 3.37Å
92W94.4Very high79.1Confident98 Ų98102.6 Ų102.637%0.37152%0.519SS..EExtended strand (participates in β ladder)trans-126.1140.7-177-69.176.1000110.9V17 L25 Y75 A77 M89V17-W92 HydrophobicContact CB-CH2 4.04Å; V17-W92 HydrophobicContact CB-CZ3 3.83Å; V17-W92 HydrophobicContact CG1-CH2 4.04Å; V17-W92 HydrophobicContact CG1-CZ3 4.09Å; V17-W92 HydrophobicContact CG2-CH2 3.75Å; V17-W92 HydrophobicContact CG2-CZ3 3.92Å; L25-W92 HydrophobicContact CD1-CH2 3.76Å; L25-W92 HydrophobicContact CD1-CZ2 4.24Å; L25-W92 HydrophobicContact CD1-CZ3 4.44Å; Y75-W92 HydrophobicContact CD1-CE3 4.45Å; Y75-W92 HydrophobicContact CD2-CZ3 4.49Å; Y75-W92 HydrophobicContact CG-CE3 4.07Å; Y75-W92 HydrophobicContact CG-CZ3 4.21Å; A77-W92 HydrophobicContact CB-CD2 3.73Å; A77-W92 HydrophobicContact CB-CE3 3.87Å; A77-W92 HydrophobicContact CB-CG 4.24Å; A77-W92 HydrophobicContact CB-CH2 4.22Å; A77-W92 HydrophobicContact CB-CZ2 4.12Å; A77-W92 HydrophobicContact CB-CZ3 4.12Å; M89-W92 HydrophobicContact CB-CZ2 3.62Å; M89-W92 HydrophobicContact CG-CZ2 4.08Å; M89-W92 PolarHBondContact O-NE1 3.29Å; M89-W92 HydrophobicContact SD-CZ2 4.35Å
93G95.1Very high79.9Confident27 Ų27102.4 Ų102.428%0.27852%0.516SS..  trans-70.7164.2162.600000111.1C76 G95C76-G93 PolarHBondContact O-N 3.11Å; G93-G95 PolarHBondContact O-N 2.86Å; G93-G95 VanDerWaalsContact O-N 3.11Å
94Q95.4Very high81.4Confident188 Ų18899.1 Ų99.188%0.87951%0.511SS*.  trans-65.1-14.6-179.6-64.5-61.6-54.600114
95G95.6Very high83Confident30 Ų3095.9 Ų95.931%0.30949%0.492SS..  trans83160.4-174.600000112.8Y74 G93Y74-G95 CarbonylContact O-C 3.57Å; Y74-G95 WeakPolarHBondContact O-CA 3Å; G93-G95 PolarHBondContact O-N 2.86Å; G93-G95 VanDerWaalsContact O-N 3.11Å
96T96.9Very high84.6Confident81 Ų8196.2 Ų96.250%0.49749%0.492SS..EExtended strand (participates in β ladder)trans-139.8135.4173.3-172.20000109.9V73 Y74 V98V73-T96 CarbonylContact C-O 3.48Å; V73-T96 WeakPolarHBondContact CA-O 3.16Å; Y74-T96 PolarHBondContact N-O 3.15Å; Y74-T96 PolarHBondContact O-N 3.47Å; T96-V98 HydrophobicContact CG2-CG2 4.14Å
97S96Very high86.9Confident95 Ų9594.6 Ų94.666%0.66450%0.495SS*.EExtended strand (participates in β ladder)trans-72.7137.3170.8-166.80000109.4
98V92Very high89.2Confident89 Ų8984.4 Ų84.454%0.53947%0.466SS..  trans-130.80174.9-177.10000109.6L66 S71 A72 Y74 T96L66-V98 HydrophobicContact CD1-CG1 4.2Å; S71-V98 VanDerWaalsContact CA-O 3.25Å; S71-V98 WeakPolarHBondContact CA-O 3.4Å; S71-V98 PolarHBondContact OG-O 2.63Å; A72-V98 PolarHBondContact N-O 2.93Å; A72-V98 PolarHBondContact O-N 3.38Å; Y74-V98 HydrophobicContact CD2-CB 3.76Å; Y74-V98 HydrophobicContact CD2-CG2 3.71Å; Y74-V98 HydrophobicContact CE2-CB 3.84Å; Y74-V98 HydrophobicContact CE2-CG1 4.48Å; Y74-V98 HydrophobicContact CE2-CG2 4.26Å; Y74-V98 HydrophobicContact CG-CG2 4.47Å; T96-V98 HydrophobicContact CG2-CG2 4.14Å

Retrieved 98 of 98 residues in 19.8 ms (Link to these results)

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