A0A087WT99_HUMAN Loading...

Chromosome 11 open reading frame 54

AlphaFold DB , UniProt , Accession A0A087WT99, Species HUMAN (Homo sapiens, Human), Gene BKGD, Length 256 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
1M58.8Low83.3Confident111 Ų11162.5 Ų62.555%0.54737%0.372SS..  0176.30-81.1149.6-82.900108.9C3 Y78 E86 I244M1-C3 PolarHBondContact O-N 2.68Å; M1-Y78 HydrophobicContact SD-CD1 4.21Å; M1-Y78 HydrophobicContact SD-CE1 4.06Å; M1-E86 PolarHBondContact N-OE1 2.98Å; M1-I244 HydrophobicContact CB-CG2 3.82Å; M1-I244 HydrophobicContact SD-CG2 4.21Å
2A70.1Confident83.7Confident84 Ų8461.8 Ų61.869%0.69437%0.372SS*.  trans-72.2123.6163.600000107.7D245A2-D245 PolarHBondContact O-N 2.74Å
3C77.1Confident83.1Confident54 Ų5459.8 Ų59.837%0.36536%0.359SS..EExtended strand (participates in β ladder)trans-128.7119.8-176.3177.80000108.3M1 I244M1-C3 PolarHBondContact O-N 2.68Å; C3-I244 HydrophobicContact CB-CG1 4.17Å
4A87.8Confident83.7Confident43 Ų4364.1 Ų64.136%0.35537%0.373SS..EExtended strand (participates in β ladder)trans-98.9142.5171.800000109.8Y242 R243A4-Y242 WeakPolarHBondContact O-CA 3.4Å; A4-R243 PolarHBondContact N-O 2.91Å; A4-R243 PolarHBondContact O-N 3.24Å; A4-R243 VanDerWaalsContact O-N 3.15Å
5E90.1Very high84.1Confident90 Ų9065.7 Ų65.742%0.42138%0.376SS..EExtended strand (participates in β ladder)trans-112.1131.1176179.3169.282.800109.1K88 F240 Y242E5-K88 IonicContact OE1-NZ 2.78Å; E5-K88 PolarHBondContact OE1-NZ 3.07Å; E5-K88 WeakPolarHBondContact OE2-CD 3.42Å; E5-K88 WeakPolarHBondContact OE2-CE 3.43Å; E5-K88 IonicContact OE2-NZ 2.63Å; E5-K88 PolarHBondContact OE2-NZ 3.4Å; E5-F240 HydrophobicContact CG-CD1 4.41Å; E5-Y242 HydrophobicContact CB-CD1 4.2Å; E5-Y242 HydrophobicContact CB-CE1 3.81Å; E5-Y242 HydrophobicContact CG-CD1 4.43Å; E5-Y242 HydrophobicContact CG-CE1 3.68Å; E5-Y242 WeakPolarHBondContact OE2-CE1 3.2Å; E5-Y242 PolarHBondContact OE2-OH 2.72Å
6F90.8Very high84.4Confident56 Ų5661.6 Ų61.625%0.24635%0.352CS..EExtended strand (participates in β ladder)trans-133.7132176.5173.4-87.6000109.7F8 P141 P199 F201 F240 L241F6-F8 HydrophobicContact CD1-CD1 4.36Å; F6-F8 AromaticContact CE1-CD1 3.98Å; F6-F8 HydrophobicContact CE1-CD1 3.98Å; F6-F8 HydrophobicContact CE1-CE1 4.34Å; F6-P141 HydrophobicContact CE1-CG 3.85Å; F6-P141 HydrophobicContact CZ-CG 3.85Å; F6-P199 HydrophobicContact CD1-CG 4.31Å; F6-P199 HydrophobicContact CE1-CB 4.31Å; F6-P199 HydrophobicContact CE1-CG 3.79Å; F6-P199 HydrophobicContact CE2-CB 3.99Å; F6-P199 HydrophobicContact CE2-CG 4.29Å; F6-P199 HydrophobicContact CZ-CB 3.77Å; F6-P199 HydrophobicContact CZ-CG 3.78Å; F6-F201 HydrophobicContact CB-CE2 3.89Å; F6-F201 HydrophobicContact CB-CZ 4Å; F6-F201 AromaticContact CD2-CE2 3.63Å; F6-F201 HydrophobicContact CD2-CE2 3.63Å; F6-F201 HydrophobicContact CD2-CZ 4.01Å; F6-F201 HydrophobicContact CE2-CE2 4.29Å; F6-F201 AromaticContact CG-CE2 3.76Å; F6-F201 HydrophobicContact CG-CE2 3.76Å; F6-F201 HydrophobicContact CG-CZ 4.24Å; F6-F240 WeakPolarHBondContact O-CA 3.2Å; F6-L241 HydrophobicContact CB-CB 4.24Å; F6-L241 HydrophobicContact CD1-CB 4.1Å; F6-L241 HydrophobicContact CD1-CD2 4.43Å; F6-L241 PolarHBondContact N-O 3.29Å; F6-L241 PolarHBondContact O-N 2.78Å
7S90.6Very high84.4Confident81 Ų8158.5 Ų58.557%0.56634%0.335SS*.EExtended strand (participates in β ladder)trans-87.8125179.2-51.40000110.8
8F82.2Confident84.5Confident17 Ų1757.6 Ų57.68%0.07534%0.341CS..PPolyproline II helixtrans-77165172.9-77.1-60.9000111.7F6 I59 P141 V195 A238 E239 F240 L241F6-F8 HydrophobicContact CD1-CD1 4.36Å; F6-F8 AromaticContact CE1-CD1 3.98Å; F6-F8 HydrophobicContact CE1-CD1 3.98Å; F6-F8 HydrophobicContact CE1-CE1 4.34Å; F8-I59 HydrophobicContact CE2-CD1 4.31Å; F8-P141 HydrophobicContact CD1-CB 4.27Å; F8-P141 HydrophobicContact CD1-CG 4.26Å; F8-P141 WeakPolarHBondContact CD1-O 3.45Å; F8-P141 HydrophobicContact CE1-CB 4.22Å; F8-V195 HydrophobicContact CE1-CG1 3.93Å; F8-V195 HydrophobicContact CZ-CG1 4.09Å; F8-V195 HydrophobicContact CZ-CG2 4.4Å; F8-A238 WeakPolarHBondContact CB-O 3.34Å; F8-A238 HydrophobicContact CD2-CB 4.02Å; F8-A238 VanDerWaalsContact CD2-O 3.23Å; F8-A238 WeakPolarHBondContact CD2-O 3.41Å; F8-A238 HydrophobicContact CE2-CB 3.97Å; F8-E239 PolarHBondContact N-O 3.12Å; F8-F240 VanDerWaalsContact CD2-C 3.46Å; F8-L241 HydrophobicContact CD2-CB 4.33Å; F8-L241 HydrophobicContact CE1-CB 4.31Å; F8-L241 HydrophobicContact CE2-CB 3.62Å; F8-L241 HydrophobicContact CZ-CB 3.62Å; F8-L241 HydrophobicContact CZ-CD1 4.3Å; F8-L241 HydrophobicContact CZ-CD2 4.41Å; F8-L241 HydrophobicContact CZ-CG 4.33Å
9H90.3Very high85Confident68 Ų6855.4 Ų55.432%0.31533%0.328SS..PPolyproline II helixtrans-80.8130.6160.5-176.942000109.2P11 K140H9-P11 WeakPolarHBondContact O-CD 3.41Å; H9-K140 HydrophobicContact CB-CB 4.01Å; H9-K140 HydrophobicContact CB-CD 4.46Å; H9-K140 WeakPolarHBondContact CD2-CD 3.33Å; H9-K140 PolarHBondContact NE2-NZ 3.27Å
10V89.3Confident85.1Confident71 Ų7152.6 Ų52.643%0.4331%0.312SS..  trans-118.698.2179.3-172.50000109.2P237 E239V10-P237 HydrophobicContact CG1-CG 4.36Å; V10-E239 HydrophobicContact CG2-CB 4.37Å; V10-E239 HydrophobicContact CG2-CG 4.24Å
11P88.9Confident85.6Confident12 Ų1253.1 Ų53.18%0.07831%0.311CS..  trans-72.3173.7168.7-11.227.6000111.5H9 E15 L16 Y137 I142H9-P11 WeakPolarHBondContact O-CD 3.41Å; P11-E15 HydrophobicContact CB-CB 4.29Å; P11-E15 HydrophobicContact CB-CG 4.36Å; P11-L16 HydrophobicContact CB-CD2 4.47Å; P11-L16 HydrophobicContact CB-CG 4.21Å; P11-L16 HydrophobicContact CG-CD2 4.08Å; P11-L16 HydrophobicContact CG-CG 4.32Å; P11-Y137 HydrophobicContact CB-CE1 4.14Å; P11-Y137 HydrophobicContact CG-CD1 4.29Å; P11-Y137 HydrophobicContact CG-CE1 3.45Å; P11-Y137 VanDerWaalsContact CG-CE1 3.45Å; P11-I142 HydrophobicContact CG-CD1 4.04Å
12S88Confident87.2Confident54 Ų5455.5 Ų55.538%0.37832%0.318SS..  trans-70.1157.6173.4100.80000111.5E14 E15 L16S12-E14 WeakPolarHBondContact CB-OE2 3.23Å; S12-E14 PolarHBondContact O-N 3.36Å; S12-E14 PolarHBondContact OG-N 3.35Å; S12-E14 PolarHBondContact OG-OE2 2.68Å; S12-E15 PolarHBondContact O-N 2.96Å; S12-E15 PolarHBondContact OG-N 2.88Å; S12-E15 VanDerWaalsContact OG-N 3.17Å; S12-L16 WeakPolarHBondContact O-CG 3.29Å; S12-L16 PolarHBondContact O-N 3.49Å
13L76.8Confident88.2Confident37 Ų3752 Ų5219%0.19429%0.291CS..Hα-helixtrans-65.3-32.3178.7-62-178.9000111.5A17 V35 I112 L236 P237L13-A17 VanDerWaalsContact O-CB 3.22Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.23Å; L13-V35 VanDerWaalsContact C-CG2 3.45Å; L13-V35 HydrophobicContact CB-CB 4.47Å; L13-V35 HydrophobicContact CB-CG1 3.94Å; L13-V35 HydrophobicContact CB-CG2 3.63Å; L13-V35 HydrophobicContact CD1-CG1 3.96Å; L13-V35 WeakPolarHBondContact O-CG2 3.49Å; L13-I112 HydrophobicContact CB-CG1 4.5Å; L13-I112 HydrophobicContact CD2-CD1 4.16Å; L13-I112 HydrophobicContact CD2-CG1 4.1Å; L13-L236 HydrophobicContact CD2-CD2 4.33Å; L13-P237 HydrophobicContact CD2-CG 4.18Å
14E91.1Very high88.6Confident119 Ų11949.5 Ų49.556%0.55627%0.273SS*.Hα-helixtrans-69-41176.2-53.970.8-153.800111.4S12 A17 G18 V35S12-E14 WeakPolarHBondContact CB-OE2 3.23Å; S12-E14 PolarHBondContact O-N 3.36Å; S12-E14 PolarHBondContact OG-N 3.35Å; S12-E14 PolarHBondContact OG-OE2 2.68Å; E14-A17 PolarHBondContact O-N 2.68Å; E14-G18 PolarHBondContact O-N 3.2Å; E14-V35 HydrophobicContact CG-CG2 4.28Å
15E89.6Confident88.9Confident89 Ų8953.3 Ų53.342%0.41628%0.282SS..Hα-helixtrans-62.7-49.9174.1-168.3-174.614200110.4P11 S12 A17 G18 V19 Y137P11-E15 HydrophobicContact CB-CB 4.29Å; P11-E15 HydrophobicContact CB-CG 4.36Å; S12-E15 PolarHBondContact O-N 2.96Å; S12-E15 PolarHBondContact OG-N 2.88Å; S12-E15 VanDerWaalsContact OG-N 3.17Å; E15-A17 PolarHBondContact O-N 2.65Å; E15-G18 PolarHBondContact O-N 3.19Å; E15-V19 WeakPolarHBondContact O-CG2 3.32Å; E15-V19 PolarHBondContact O-N 2.69Å; E15-Y137 WeakPolarHBondContact OE1-CE1 3.45Å; E15-Y137 PolarHBondContact OE1-OH 3.07Å
16L88.8Confident88.9Confident0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-58.3-46.8175.8-72.4169.6000111.9P11 S12 G18 V19 M20 I112 L133 Y137 I142 P237P11-L16 HydrophobicContact CB-CD2 4.47Å; P11-L16 HydrophobicContact CB-CG 4.21Å; P11-L16 HydrophobicContact CG-CD2 4.08Å; P11-L16 HydrophobicContact CG-CG 4.32Å; S12-L16 WeakPolarHBondContact O-CG 3.29Å; S12-L16 PolarHBondContact O-N 3.49Å; L16-G18 VanDerWaalsContact C-N 3.35Å; L16-G18 PolarHBondContact O-N 3.3Å; L16-V19 PolarHBondContact O-N 3.1Å; L16-M20 WeakPolarHBondContact O-CB 3.46Å; L16-M20 VanDerWaalsContact O-CG 3.26Å; L16-M20 WeakPolarHBondContact O-CG 3.11Å; L16-M20 PolarHBondContact O-N 2.92Å; L16-I112 HydrophobicContact CB-CD1 3.69Å; L16-I112 HydrophobicContact CD1-CD1 4.14Å; L16-L133 HydrophobicContact CD2-CD2 3.87Å; L16-Y137 HydrophobicContact CD2-CE2 4.14Å; L16-I142 HydrophobicContact CD2-CD1 4.03Å; L16-P237 HydrophobicContact CD1-CB 3.98Å; L16-P237 HydrophobicContact CD1-CG 3.74Å
17A84.9Confident88.8Confident8 Ų852.6 Ų52.67%0.06628%0.284CS..Hα-helixtrans-60.8-42.3177.900000112L13 E14 E15 Q21 V33 V35L13-A17 VanDerWaalsContact O-CB 3.22Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.23Å; E14-A17 PolarHBondContact O-N 2.68Å; E15-A17 PolarHBondContact O-N 2.65Å; A17-Q21 VanDerWaalsContact O-CB 3.23Å; A17-Q21 WeakPolarHBondContact O-CB 3.36Å; A17-Q21 PolarHBondContact O-N 3Å; A17-V33 HydrophobicContact CB-CG1 3.97Å; A17-V35 HydrophobicContact CB-CG2 4.16Å
18G86.8Confident88.4Confident43 Ų4348.9 Ų48.944%0.44326%0.258SS..Hα-helixtrans-63-44175.700000113.2E14 E15 L16 K22E14-G18 PolarHBondContact O-N 3.2Å; E15-G18 PolarHBondContact O-N 3.19Å; L16-G18 VanDerWaalsContact C-N 3.35Å; L16-G18 PolarHBondContact O-N 3.3Å; G18-K22 PolarHBondContact O-N 3.04Å
19V94Very high88.7Confident15 Ų1550.8 Ų50.89%0.09128%0.276CS..Hα-helixtrans-64.9-49.3177.1171.30000111.3E15 L16 K22 G23 T132 L133 H136 Y137E15-V19 WeakPolarHBondContact O-CG2 3.32Å; E15-V19 PolarHBondContact O-N 2.69Å; L16-V19 PolarHBondContact O-N 3.1Å; V19-K22 PolarHBondContact O-N 3.2Å; V19-G23 PolarHBondContact O-N 2.79Å; V19-T132 HydrophobicContact CG1-CG2 4.09Å; V19-T132 VanDerWaalsContact O-CG2 3.32Å; V19-T132 WeakPolarHBondContact O-CG2 3.43Å; V19-L133 HydrophobicContact CG1-CD2 4.34Å; V19-H136 HydrophobicContact CG1-CB 3.59Å; V19-Y137 HydrophobicContact CB-CE2 4.4Å; V19-Y137 HydrophobicContact CG1-CE2 4Å; V19-Y137 HydrophobicContact CG2-CE2 4.25Å
20M86.9Confident88.5Confident0 Ų050.8 Ų50.80%028%0.279CS..Hα-helixtrans-62.4-43.9179.1-70.8176.271.700111.9L16 K22 G23 L24 V33 I112 V114 M129 L133 M144L16-M20 WeakPolarHBondContact O-CB 3.46Å; L16-M20 VanDerWaalsContact O-CG 3.26Å; L16-M20 WeakPolarHBondContact O-CG 3.11Å; L16-M20 PolarHBondContact O-N 2.92Å; M20-K22 PolarHBondContact O-N 3.36Å; M20-G23 PolarHBondContact O-N 2.97Å; M20-L24 HydrophobicContact CB-CD1 4.49Å; M20-L24 WeakPolarHBondContact O-CB 3.28Å; M20-L24 WeakPolarHBondContact O-CG 3.45Å; M20-L24 PolarHBondContact O-N 2.57Å; M20-V33 HydrophobicContact CB-CG1 4.27Å; M20-V33 HydrophobicContact CB-CG2 4.35Å; M20-I112 HydrophobicContact SD-CD1 4.42Å; M20-I112 HydrophobicContact SD-CG2 4.43Å; M20-V114 HydrophobicContact CE-CG2 3.74Å; M20-M129 HydrophobicContact CE-CB 4.3Å; M20-M129 HydrophobicContact CE-CG 3.84Å; M20-M129 HydrophobicContact CE-SD 3.49Å; M20-M129 WeakPolarHBondContact CE-SD 3.39Å; M20-L133 HydrophobicContact CG-CD2 4.15Å; M20-M144 HydrophobicContact SD-CE 4.42Å
21Q94.3Very high88.5Confident63 Ų6348.3 Ų48.329%0.29426%0.264SS..Hα-helixtrans-60-36.1177.4-175.3154.8-112.200112.6A17 K25 V31 V33A17-Q21 VanDerWaalsContact O-CB 3.23Å; A17-Q21 WeakPolarHBondContact O-CB 3.36Å; A17-Q21 PolarHBondContact O-N 3Å; Q21-K25 WeakPolarHBondContact O-CG 3.39Å; Q21-K25 PolarHBondContact O-N 3.04Å; Q21-V31 HydrophobicContact CG-CG1 4.4Å; Q21-V33 HydrophobicContact CB-CB 3.98Å; Q21-V33 HydrophobicContact CB-CG2 3.99Å; Q21-V33 VanDerWaalsContact OE1-N 3.11Å
22K92.7Very high88.8Confident161 Ų16152.6 Ų52.670%0.728%0.283SS*.Hα-helixtrans-67.2-51.8178.6-173.7178.2178.3-1800111.4G18 V19 M20 K25G18-K22 PolarHBondContact O-N 3.04Å; V19-K22 PolarHBondContact O-N 3.2Å; M20-K22 PolarHBondContact O-N 3.36Å; K22-K25 PolarHBondContact O-N 2.74Å
23G91.9Very high88.9Confident11 Ų1150.4 Ų50.411%0.11327%0.267CS..Hα-helixtrans-71.2-37-177.300000114.1V19 M20 K25 D26 T132V19-G23 PolarHBondContact O-N 2.79Å; M20-G23 PolarHBondContact O-N 2.97Å; G23-K25 VanDerWaalsContact C-N 3.25Å; G23-K25 PolarHBondContact O-N 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.3Å; G23-D26 PolarHBondContact O-N 3.18Å; G23-D26 VanDerWaalsContact O-N 3.13Å; G23-T132 WeakPolarHBondContact CA-OG1 3.25Å
24L85.1Confident89.5Confident1 Ų150 Ų501%0.00527%0.267CS..Hα-helixtrans-61.4-33.7175.7-79.5162.6000112.3M20 D26 N27 F28 V31 V33 V114 F125 C128 M129M20-L24 HydrophobicContact CB-CD1 4.49Å; M20-L24 WeakPolarHBondContact O-CB 3.28Å; M20-L24 WeakPolarHBondContact O-CG 3.45Å; M20-L24 PolarHBondContact O-N 2.57Å; L24-D26 PolarHBondContact O-N 2.95Å; L24-N27 PolarHBondContact O-N 2.8Å; L24-F28 HydrophobicContact CD2-CD2 3.91Å; L24-F28 HydrophobicContact CD2-CE2 3.9Å; L24-F28 PolarHBondContact O-N 2.9Å; L24-V31 HydrophobicContact CB-CB 4.47Å; L24-V31 HydrophobicContact CB-CG1 3.6Å; L24-V31 HydrophobicContact CB-CG2 4Å; L24-V31 HydrophobicContact CD1-CG1 4.38Å; L24-V33 HydrophobicContact CD1-CG2 3.78Å; L24-V114 HydrophobicContact CD1-CG1 3.7Å; L24-F125 HydrophobicContact CD2-CD2 4.48Å; L24-F125 HydrophobicContact CD2-CE2 4.45Å; L24-C128 HydrophobicContact CD2-CB 4.3Å; L24-M129 HydrophobicContact CD1-CG 4.38Å; L24-M129 HydrophobicContact CD2-CG 4.26Å
25K93.8Very high89.2Confident123 Ų12346.5 Ų46.554%0.53525%0.254SS..Hα-helixtrans-67-20.4177.1-81.7-176176.7-174.50114.3Q21 K22 G23 N27 V31Q21-K25 WeakPolarHBondContact O-CG 3.39Å; Q21-K25 PolarHBondContact O-N 3.04Å; K22-K25 PolarHBondContact O-N 2.74Å; G23-K25 VanDerWaalsContact C-N 3.25Å; G23-K25 PolarHBondContact O-N 2.92Å; K25-N27 PolarHBondContact O-N 2.63Å; K25-V31 HydrophobicContact CG-CB 3.74Å; K25-V31 HydrophobicContact CG-CG1 4.14Å; K25-V31 HydrophobicContact CG-CG2 4.11Å
26D91.3Very high89Confident120 Ų12044.3 Ų44.364%0.64225%0.246SC*.THydrogen-bonded Turntrans-72.9-14.1173.1-63.6-20.5000111.6G23 L24G23-D26 WeakPolarHBondContact O-CB 3.3Å; G23-D26 PolarHBondContact O-N 3.18Å; G23-D26 VanDerWaalsContact O-N 3.13Å; L24-D26 PolarHBondContact O-N 2.95Å
27N86.8Confident88.7Confident12 Ų1249.9 Ų49.96%0.06428%0.276CS..THydrogen-bonded Turntrans-133.2-8-165.2-151.494.7000114.7L24 K25 T120 G121 L123L24-N27 PolarHBondContact O-N 2.8Å; K25-N27 PolarHBondContact O-N 2.63Å; N27-T120 VanDerWaalsContact C-OG1 3.22Å; N27-T120 PolarHBondContact O-N 2.97Å; N27-T120 PolarHBondContact O-OG1 3.31Å; N27-G121 PolarHBondContact O-N 2.89Å; N27-G121 WeakPolarHBondContact OD1-CA 3.37Å; N27-L123 PolarHBondContact ND2-O 3.33Å; N27-L123 PolarHBondContact OD1-N 3.25Å
28F83.3Confident88.1Confident3 Ų350.1 Ų50.11%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-140143.5178.4-68.4-94.7000110.9L24 V31 A116 R119 T120 F125 C128 Y231L24-F28 HydrophobicContact CD2-CD2 3.91Å; L24-F28 HydrophobicContact CD2-CE2 3.9Å; L24-F28 PolarHBondContact O-N 2.9Å; F28-V31 HydrophobicContact CB-CG2 3.58Å; F28-A116 HydrophobicContact CD1-CB 4.07Å; F28-A116 HydrophobicContact CE1-CB 4.35Å; F28-A116 HydrophobicContact CG-CB 4.19Å; F28-R119 HydrophobicContact CD1-CB 3.83Å; F28-R119 HydrophobicContact CD1-CG 4.29Å; F28-R119 HydrophobicContact CE1-CB 3.55Å; F28-R119 HydrophobicContact CE1-CG 3.87Å; F28-R119 HydrophobicContact CZ-CB 4.24Å; F28-R119 HydrophobicContact CZ-CG 4.05Å; F28-T120 PolarHBondContact N-OG1 3.23Å; F28-F125 HydrophobicContact CZ-CB 4.41Å; F28-F125 HydrophobicContact CZ-CD2 4.22Å; F28-C128 HydrophobicContact CE2-CB 4.21Å; F28-Y231 HydrophobicContact CE1-CD2 4.09Å; F28-Y231 AromaticContact CE1-CE2 3.98Å; F28-Y231 HydrophobicContact CE1-CE2 3.98Å; F28-Y231 HydrophobicContact CZ-CE2 4.37Å
29A87.4Confident87.9Confident56 Ų5650.2 Ų50.246%0.46327%0.27SS..EExtended strand (participates in β ladder)trans-72.1-41.2-176.600000113.2R118 T120A29-R118 HydrophobicContact CB-CB 4.16Å; A29-R118 PolarHBondContact N-O 2.91Å; A29-T120 HydrophobicContact CB-CG2 3.97Å
30D86.7Confident87.5Confident69 Ų6952 Ų5237%0.36928%0.279SS..EExtended strand (participates in β ladder)trans-119.5114.1179.4-41-78.4000109.8K117 R118D30-K117 HydrophobicContact CB-CB 4.29Å; D30-K117 PolarHBondContact N-O 3.46Å; D30-K117 PolarHBondContact O-N 3.28Å; D30-R118 IonicContact OD1-CZ 2.59Å; D30-R118 IonicContact OD1-NH2 3.53Å; D30-R118 PolarHBondContact OD1-NH2 3.1Å; D30-R118 IonicContact OD2-CZ 2.73Å; D30-R118 IonicContact OD2-NE 3.59Å; D30-R118 PolarHBondContact OD2-NE 3.19Å; D30-R118 IonicContact OD2-NH2 3.98Å; D30-R118 PolarHBondContact OD2-NH2 3.03Å
31V89.7Confident87.2Confident19 Ų1952 Ų5212%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-133.7127.7-176.3176.10000110.1Q21 L24 K25 F28 V33 K115Q21-V31 HydrophobicContact CG-CG1 4.4Å; L24-V31 HydrophobicContact CB-CB 4.47Å; L24-V31 HydrophobicContact CB-CG1 3.6Å; L24-V31 HydrophobicContact CB-CG2 4Å; L24-V31 HydrophobicContact CD1-CG1 4.38Å; K25-V31 HydrophobicContact CG-CB 3.74Å; K25-V31 HydrophobicContact CG-CG1 4.14Å; K25-V31 HydrophobicContact CG-CG2 4.11Å; F28-V31 HydrophobicContact CB-CG2 3.58Å; V31-V33 HydrophobicContact CG1-CG2 4.2Å; V31-K115 WeakPolarHBondContact CA-O 3.17Å
32Q94.6Very high86.7Confident102 Ų10251 Ų5148%0.47728%0.277SS..EExtended strand (participates in β ladder)trans-131.5127.2165179.6-179.9-4.600108.5K115Q32-K115 HydrophobicContact CB-CB 4.42Å; Q32-K115 PolarHBondContact N-O 2.96Å; Q32-K115 PolarHBondContact O-N 2.91Å
33V90.8Very high86.4Confident8 Ų848.8 Ų48.85%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-125.2129.6168.5-170.20000108.4A17 M20 Q21 L24 V31 I112 E113 V114A17-V33 HydrophobicContact CB-CG1 3.97Å; M20-V33 HydrophobicContact CB-CG1 4.27Å; M20-V33 HydrophobicContact CB-CG2 4.35Å; Q21-V33 HydrophobicContact CB-CB 3.98Å; Q21-V33 HydrophobicContact CB-CG2 3.99Å; Q21-V33 VanDerWaalsContact OE1-N 3.11Å; L24-V33 HydrophobicContact CD1-CG2 3.78Å; V31-V33 HydrophobicContact CG1-CG2 4.2Å; V33-I112 HydrophobicContact CG1-CG2 3.51Å; V33-E113 WeakPolarHBondContact CA-O 3.33Å; V33-V114 HydrophobicContact CG1-CG2 4.06Å; V33-V114 HydrophobicContact CG2-CG1 4.35Å; V33-V114 HydrophobicContact CG2-CG2 4.41Å
34S88.4Confident85.6Confident29 Ų2954.2 Ų54.220%0.20329%0.29CS..EExtended strand (participates in β ladder)trans-149.6144.8-177.8400000111.4E113S34-E113 PolarHBondContact N-O 3.37Å; S34-E113 VanDerWaalsContact N-O 3.13Å; S34-E113 PolarHBondContact O-N 2.85Å
35V85.8Confident85.5Confident45 Ų4556.3 Ų56.327%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-72.2128.9165.9-169.90000107.8L13 E14 A17L13-V35 VanDerWaalsContact C-CG2 3.45Å; L13-V35 HydrophobicContact CB-CB 4.47Å; L13-V35 HydrophobicContact CB-CG1 3.94Å; L13-V35 HydrophobicContact CB-CG2 3.63Å; L13-V35 HydrophobicContact CD1-CG1 3.96Å; L13-V35 WeakPolarHBondContact O-CG2 3.49Å; E14-V35 HydrophobicContact CG-CG2 4.28Å; A17-V35 HydrophobicContact CB-CG2 4.16Å
36V85.3Confident84.8Confident42 Ų4251.1 Ų51.126%0.25528%0.281SS..EExtended strand (participates in β ladder)trans-146.1163-177.6-620000110.9E110 V111 E113V36-E110 CarbonylContact O-C 3.53Å; V36-V111 HydrophobicContact CG2-CG2 4.32Å; V36-V111 PolarHBondContact N-O 2.89Å; V36-V111 PolarHBondContact O-N 3.17Å; V36-V111 VanDerWaalsContact O-O 3.06Å; V36-E113 HydrophobicContact CG1-CB 4.45Å; V36-E113 HydrophobicContact CG2-CB 3.53Å
37D82.3Confident84.6Confident118 Ų11847.3 Ų47.363%0.63126%0.262SS*.EExtended strand (participates in β ladder)trans-56139.4163.9-68.9-52.3000110.8
38C73.6Confident84.4Confident13 Ų1347.6 Ų47.69%0.08826%0.263CS..PPolyproline II helixtrans-68.5125.8173.9-162.10000109.4S109 V111C38-S109 WeakPolarHBondContact CA-O 3.4Å; C38-S109 VanDerWaalsContact CB-CB 3.4Å; C38-S109 WeakPolarHBondContact CB-O 3.31Å; C38-S109 PolarHBondContact N-O 2.87Å; C38-V111 HydrophobicContact CB-CB 4.46Å; C38-V111 HydrophobicContact CB-CG1 3.79Å; C38-V111 HydrophobicContact CB-CG2 3.94Å; C38-V111 VanDerWaalsContact SG-CG1 3.53Å
39P81.4Confident84.2Confident44 Ų4448.5 Ų48.529%0.28627%0.269SS..PPolyproline II helixtrans-63150.8173.428.9-35.3000109.7L41 Y234P39-L41 HydrophobicContact CG-CD2 4.14Å; P39-L41 WeakPolarHBondContact O-CD2 3.24Å; P39-L41 WeakPolarHBondContact O-CG 3.2Å; P39-L41 PolarHBondContact O-N 3.33Å; P39-Y234 HydrophobicContact CG-CD1 4.23Å; P39-Y234 HydrophobicContact CG-CD2 4.01Å; P39-Y234 HydrophobicContact CG-CE1 3.93Å; P39-Y234 HydrophobicContact CG-CE2 3.71Å; P39-Y234 HydrophobicContact CG-CG 4.27Å
40D85.8Confident84Confident52 Ų5245.9 Ų45.928%0.27825%0.247SC..  trans-61.396.4178.5-179.6-2.9000110.9T42 K43 K51D40-T42 PolarHBondContact O-N 3.42Å; D40-T42 VanDerWaalsContact OD1-CB 3.3Å; D40-T42 WeakPolarHBondContact OD1-CB 3.29Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.45Å; D40-T42 PolarHBondContact OD1-N 2.72Å; D40-T42 PolarHBondContact OD1-OG1 3.25Å; D40-T42 PolarHBondContact OD2-OG1 2.97Å; D40-K43 HydrophobicContact CB-CG 4.07Å; D40-K43 WeakPolarHBondContact O-CB 3.29Å; D40-K43 WeakPolarHBondContact O-CG 3.48Å; D40-K43 PolarHBondContact O-N 2.98Å; D40-K43 IonicContact OD2-NZ 2.74Å; D40-K43 PolarHBondContact OD2-NZ 2.97Å; D40-K51 WeakPolarHBondContact OD1-CB 3.28Å; D40-K51 VanDerWaalsContact OD1-CG 3.29Å; D40-K51 WeakPolarHBondContact OD1-CG 3.19Å
41L80.2Confident83.7Confident0 Ų047.1 Ų47.10%025%0.249CC..THydrogen-bonded Turntrans-66.3-6.3-177.6-55.6-177.2000113.3P39 K43 F46 T47 F48 V50 K51 I53P39-L41 HydrophobicContact CG-CD2 4.14Å; P39-L41 WeakPolarHBondContact O-CD2 3.24Å; P39-L41 WeakPolarHBondContact O-CG 3.2Å; P39-L41 PolarHBondContact O-N 3.33Å; L41-K43 PolarHBondContact O-N 3.36Å; L41-F46 HydrophobicContact CB-CB 4.3Å; L41-F46 HydrophobicContact CD2-CB 4.43Å; L41-F46 HydrophobicContact CD2-CD1 4.4Å; L41-F46 HydrophobicContact CD2-CD2 3.47Å; L41-F46 VanDerWaalsContact CD2-CD2 3.47Å; L41-F46 HydrophobicContact CD2-CE2 3.7Å; L41-F46 HydrophobicContact CD2-CG 3.85Å; L41-F46 HydrophobicContact CD2-CZ 4.27Å; L41-F46 WeakPolarHBondContact O-CB 3.39Å; L41-T47 PolarHBondContact O-N 3.1Å; L41-F48 HydrophobicContact CB-CB 4.15Å; L41-F48 HydrophobicContact CB-CD2 3.84Å; L41-F48 HydrophobicContact CB-CG 4.33Å; L41-F48 HydrophobicContact CD1-CD2 3.8Å; L41-F48 HydrophobicContact CD1-CE2 4.13Å; L41-F48 HydrophobicContact CG-CD2 4.39Å; L41-F48 WeakPolarHBondContact O-CB 3.49Å; L41-F48 PolarHBondContact O-N 2.79Å; L41-V50 CarbonylContact C-O 3.55Å; L41-K51 PolarHBondContact N-O 2.76Å; L41-I53 HydrophobicContact CD1-CG2 3.8Å
42T84.3Confident83.1Confident42 Ų4246.2 Ų46.226%0.25824%0.244SC..THydrogen-bonded Turntrans-72.8-10.6168.370.80000112.9D40 F48 V50 K51D40-T42 PolarHBondContact O-N 3.42Å; D40-T42 VanDerWaalsContact OD1-CB 3.3Å; D40-T42 WeakPolarHBondContact OD1-CB 3.29Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.45Å; D40-T42 PolarHBondContact OD1-N 2.72Å; D40-T42 PolarHBondContact OD1-OG1 3.25Å; D40-T42 PolarHBondContact OD2-OG1 2.97Å; T42-F48 WeakPolarHBondContact CA-O 3.29Å; T42-V50 VanDerWaalsContact CG2-C 3.49Å; T42-V50 VanDerWaalsContact CG2-O 3.28Å; T42-V50 WeakPolarHBondContact CG2-O 3.5Å; T42-V50 PolarHBondContact N-O 2.83Å; T42-K51 HydrophobicContact CG2-CB 4.5Å; T42-K51 HydrophobicContact CG2-CG 3.83Å
43K85.5Confident82.4Confident116 Ų11642.6 Ų42.650%0.50423%0.228SC..SBendtrans-93161-179.8-55.5-60179-78.10111.8D40 L41 F46 T47D40-K43 HydrophobicContact CB-CG 4.07Å; D40-K43 WeakPolarHBondContact O-CB 3.29Å; D40-K43 WeakPolarHBondContact O-CG 3.48Å; D40-K43 PolarHBondContact O-N 2.98Å; D40-K43 IonicContact OD2-NZ 2.74Å; D40-K43 PolarHBondContact OD2-NZ 2.97Å; L41-K43 PolarHBondContact O-N 3.36Å; K43-F46 PolarHBondContact O-N 2.72Å; K43-T47 PolarHBondContact O-N 2.9Å
44E75.9Confident81.6Confident124 Ų12443.9 Ų43.958%0.57924%0.236SC*.THydrogen-bonded Turntrans-56.2141.6168.8-76.6-74.4158.500110.2R213E44-R213 IonicContact OE1-CZ 3.36Å; E44-R213 IonicContact OE1-NE 3.15Å; E44-R213 PolarHBondContact OE1-NE 2.78Å; E44-R213 IonicContact OE1-NH2 2.68Å; E44-R213 PolarHBondContact OE1-NH2 3.36Å; E44-R213 IonicContact OE2-NE 2.72Å; E44-R213 IonicContact OE2-NH2 3.89Å
45P83.2Confident81.4Confident46 Ų4645.4 Ų45.430%0.29926%0.257SS..THydrogen-bonded Turncis-87.7-7.74.434.7-34.8000114.7I149 V189P45-I149 HydrophobicContact CG-CD1 3.36Å; P45-I149 HydrophobicContact CG-CG1 3.75Å; P45-V189 HydrophobicContact CB-CG2 4.19Å
46F79.1Confident81.4Confident14 Ų1450 Ų506%0.06127%0.273CS..THydrogen-bonded Turntrans-73.2-50.5-171.1-53.4-69000112.6L41 K43 F48 T147 I149 V189 Y234L41-F46 HydrophobicContact CB-CB 4.3Å; L41-F46 HydrophobicContact CD2-CB 4.43Å; L41-F46 HydrophobicContact CD2-CD1 4.4Å; L41-F46 HydrophobicContact CD2-CD2 3.47Å; L41-F46 VanDerWaalsContact CD2-CD2 3.47Å; L41-F46 HydrophobicContact CD2-CE2 3.7Å; L41-F46 HydrophobicContact CD2-CG 3.85Å; L41-F46 HydrophobicContact CD2-CZ 4.27Å; L41-F46 WeakPolarHBondContact O-CB 3.39Å; K43-F46 PolarHBondContact O-N 2.72Å; F46-F48 HydrophobicContact CB-CD1 4.21Å; F46-F48 HydrophobicContact CB-CD2 4.33Å; F46-F48 HydrophobicContact CB-CE1 4.31Å; F46-F48 HydrophobicContact CB-CE2 4.42Å; F46-F48 HydrophobicContact CB-CG 4.21Å; F46-F48 HydrophobicContact CB-CZ 4.41Å; F46-F48 HydrophobicContact CD1-CZ 4.45Å; F46-F48 VanDerWaalsContact O-CD1 3.31Å; F46-F48 WeakPolarHBondContact O-CD1 3.45Å; F46-F48 PolarHBondContact O-N 2.9Å; F46-T147 HydrophobicContact CD1-CG2 3.67Å; F46-T147 HydrophobicContact CE1-CG2 3.51Å; F46-T147 HydrophobicContact CZ-CG2 4.39Å; F46-I149 HydrophobicContact CE1-CD1 3.86Å; F46-I149 HydrophobicContact CE1-CG1 3.84Å; F46-I149 HydrophobicContact CE2-CD1 4.32Å; F46-I149 HydrophobicContact CZ-CD1 3.55Å; F46-I149 HydrophobicContact CZ-CG1 4.08Å; F46-V189 HydrophobicContact CD1-CG1 4.36Å; F46-Y234 HydrophobicContact CE2-CD2 4.3Å; F46-Y234 HydrophobicContact CE2-CE2 4.22Å; F46-Y234 AromaticContact CZ-CD2 3.71Å; F46-Y234 HydrophobicContact CZ-CD2 3.71Å; F46-Y234 AromaticContact CZ-CE2 3.82Å; F46-Y234 HydrophobicContact CZ-CE2 3.82Å
47T87.3Confident81.1Confident39 Ų3949.7 Ų49.724%0.23927%0.271CS..  trans51.136.2-178.8-34.20000113.3L41 K43 R213L41-T47 PolarHBondContact O-N 3.1Å; K43-T47 PolarHBondContact O-N 2.9Å; T47-R213 PolarHBondContact OG1-NH2 2.91Å
48F81.3Confident81.4Confident19 Ų1946.1 Ų46.18%0.08325%0.249CC..  trans-70.9158.8177.3-69.7-9.4000111.4L41 T42 F46 V50 F93 L95 T147 L191L41-F48 HydrophobicContact CB-CB 4.15Å; L41-F48 HydrophobicContact CB-CD2 3.84Å; L41-F48 HydrophobicContact CB-CG 4.33Å; L41-F48 HydrophobicContact CD1-CD2 3.8Å; L41-F48 HydrophobicContact CD1-CE2 4.13Å; L41-F48 HydrophobicContact CG-CD2 4.39Å; L41-F48 WeakPolarHBondContact O-CB 3.49Å; L41-F48 PolarHBondContact O-N 2.79Å; T42-F48 WeakPolarHBondContact CA-O 3.29Å; F46-F48 HydrophobicContact CB-CD1 4.21Å; F46-F48 HydrophobicContact CB-CD2 4.33Å; F46-F48 HydrophobicContact CB-CE1 4.31Å; F46-F48 HydrophobicContact CB-CE2 4.42Å; F46-F48 HydrophobicContact CB-CG 4.21Å; F46-F48 HydrophobicContact CB-CZ 4.41Å; F46-F48 HydrophobicContact CD1-CZ 4.45Å; F46-F48 VanDerWaalsContact O-CD1 3.31Å; F46-F48 WeakPolarHBondContact O-CD1 3.45Å; F46-F48 PolarHBondContact O-N 2.9Å; F48-V50 VanDerWaalsContact C-N 3.25Å; F48-V50 HydrophobicContact CB-CG2 4.26Å; F48-V50 PolarHBondContact O-N 2.91Å; F48-F93 HydrophobicContact CB-CZ 4.09Å; F48-F93 HydrophobicContact CD2-CE1 4.19Å; F48-F93 AromaticContact CD2-CZ 3.83Å; F48-F93 HydrophobicContact CD2-CZ 3.83Å; F48-F93 HydrophobicContact CG-CZ 4.03Å; F48-L95 HydrophobicContact CD2-CD1 4.26Å; F48-L95 HydrophobicContact CD2-CD2 4.28Å; F48-L95 HydrophobicContact CE1-CD2 4.26Å; F48-L95 HydrophobicContact CE2-CD1 3.63Å; F48-L95 HydrophobicContact CE2-CD2 3.87Å; F48-L95 HydrophobicContact CE2-CG 4.38Å; F48-L95 HydrophobicContact CZ-CD1 4.23Å; F48-L95 HydrophobicContact CZ-CD2 3.86Å; F48-T147 HydrophobicContact CE2-CG2 3.83Å; F48-T147 HydrophobicContact CZ-CG2 4.08Å; F48-L191 HydrophobicContact CE1-CD2 4.42Å; F48-L191 HydrophobicContact CZ-CD2 3.86Å
49P80.8Confident81.8Confident22 Ų2246.3 Ų46.314%0.14325%0.249CC..SBendtrans-62.7-31.5172.824.7-35000112.7F93 F102 T104 L105 G106P49-F93 HydrophobicContact CG-CD2 3.9Å; P49-F93 HydrophobicContact CG-CE2 3.46Å; P49-F93 VanDerWaalsContact CG-CE2 3.46Å; P49-F93 HydrophobicContact CG-CZ 4.37Å; P49-F102 VanDerWaalsContact CB-O 3.31Å; P49-F102 WeakPolarHBondContact CB-O 3.42Å; P49-F102 WeakPolarHBondContact CD-O 3.24Å; P49-T104 VanDerWaalsContact CB-N 3.34Å; P49-L105 HydrophobicContact CB-CB 4.01Å; P49-L105 HydrophobicContact CB-CD1 4.37Å; P49-L105 HydrophobicContact CB-CG 4.13Å; P49-L105 HydrophobicContact CG-CD1 4.32Å; P49-L105 CarbonylContact O-C 3.55Å; P49-L105 VanDerWaalsContact O-CA 3.25Å; P49-L105 WeakPolarHBondContact O-CA 3.41Å; P49-L105 PolarHBondContact O-N 3.35Å; P49-L105 VanDerWaalsContact O-O 3.09Å; P49-G106 PolarHBondContact O-N 3.06Å
50V81.4Confident82Confident0 Ų046 Ų460%025%0.25CC..SBendtrans-95.4162.9178.5-70.90000112.1L41 T42 F48 G52 F93 L105 F107L41-V50 CarbonylContact C-O 3.55Å; T42-V50 VanDerWaalsContact CG2-C 3.49Å; T42-V50 VanDerWaalsContact CG2-O 3.28Å; T42-V50 WeakPolarHBondContact CG2-O 3.5Å; T42-V50 PolarHBondContact N-O 2.83Å; F48-V50 VanDerWaalsContact C-N 3.25Å; F48-V50 HydrophobicContact CB-CG2 4.26Å; F48-V50 PolarHBondContact O-N 2.91Å; V50-G52 WeakPolarHBondContact CG2-O 3.49Å; V50-F93 HydrophobicContact CB-CD1 4.28Å; V50-F93 HydrophobicContact CB-CE1 4.44Å; V50-F93 HydrophobicContact CB-CG 4.36Å; V50-F93 HydrophobicContact CG1-CB 3.78Å; V50-F93 HydrophobicContact CG1-CD1 4.02Å; V50-F93 HydrophobicContact CG1-CD2 4.02Å; V50-F93 HydrophobicContact CG1-CG 3.66Å; V50-F93 HydrophobicContact CG2-CD1 3.31Å; V50-F93 HydrophobicContact CG2-CD2 4.03Å; V50-F93 HydrophobicContact CG2-CE1 3.12Å; V50-F93 HydrophobicContact CG2-CE2 3.92Å; V50-F93 HydrophobicContact CG2-CG 3.73Å; V50-F93 HydrophobicContact CG2-CZ 3.45Å; V50-F93 VanDerWaalsContact CG2-CZ 3.45Å; V50-L105 HydrophobicContact CB-CB 4.44Å; V50-L105 HydrophobicContact CG1-CB 3.48Å; V50-L105 VanDerWaalsContact CG1-CB 3.48Å; V50-L105 HydrophobicContact CG1-CD1 3.65Å; V50-L105 HydrophobicContact CG1-CG 4.22Å; V50-F107 HydrophobicContact CG1-CE1 4.01Å; V50-F107 HydrophobicContact CG1-CE2 4.27Å; V50-F107 HydrophobicContact CG1-CZ 3.84Å
51K81.2Confident81.7Confident96 Ų9645.7 Ų45.742%0.41725%0.247SC..SBendtrans-84-10.5166.3-49.4-178.8178.1-175.20113.7D40 L41 T42 G106 F107D40-K51 WeakPolarHBondContact OD1-CB 3.28Å; D40-K51 VanDerWaalsContact OD1-CG 3.29Å; D40-K51 WeakPolarHBondContact OD1-CG 3.19Å; L41-K51 PolarHBondContact N-O 2.76Å; T42-K51 HydrophobicContact CG2-CB 4.5Å; T42-K51 HydrophobicContact CG2-CG 3.83Å; K51-G106 WeakPolarHBondContact CE-O 3.35Å; K51-F107 CarbonylContact C-O 3.58Å; K51-F107 WeakPolarHBondContact CB-O 3.32Å
52G76.4Confident81.7Confident0 Ų047.3 Ų47.30%026%0.257CS..  trans-170.7170.9-174.800000114.7V50 F107 S109V50-G52 WeakPolarHBondContact CG2-O 3.49Å; G52-F107 PolarHBondContact N-O 3.37Å; G52-S109 WeakPolarHBondContact CA-OG 3.4Å
53I79.9Confident81.7Confident26 Ų2645.3 Ų45.313%0.13325%0.245CC..  trans-1095.4-170.349.3167.8000115.1L41 F93 L95 S109 V111 L236L41-I53 HydrophobicContact CD1-CG2 3.8Å; I53-F93 HydrophobicContact CG2-CD1 4.31Å; I53-F93 HydrophobicContact CG2-CE1 3.9Å; I53-L95 HydrophobicContact CG2-CD1 3.52Å; I53-S109 PolarHBondContact N-OG 3.21Å; I53-V111 HydrophobicContact CD1-CG1 3.94Å; I53-V111 HydrophobicContact CG1-CG1 3.67Å; I53-L236 HydrophobicContact CB-CD1 4.3Å; I53-L236 HydrophobicContact CD1-CD1 4.15Å; I53-L236 HydrophobicContact CD1-CG 4.21Å; I53-L236 HydrophobicContact CG1-CD1 3.83Å; I53-L236 HydrophobicContact CG1-CG 4.37Å; I53-L236 VanDerWaalsContact O-CD1 3.31Å; I53-L236 WeakPolarHBondContact O-CD1 3.46Å
54C75.3Confident81Confident34 Ų3441.1 Ų41.123%0.2323%0.234CC..  trans-82.9177.9-175.5-520000113.9S109 E110 L236C54-S109 VanDerWaalsContact CB-OG 3.27Å; C54-S109 WeakPolarHBondContact CB-OG 3.13Å; C54-S109 PolarHBondContact N-OG 2.96Å; C54-S109 VanDerWaalsContact SG-CA 3.56Å; C54-S109 WeakPolarHBondContact SG-CB 3.34Å; C54-S109 PolarHBondContact SG-OG 2.93Å; C54-S109 VanDerWaalsContact SG-OG 3.35Å; C54-E110 PolarHBondContact SG-N 2.93Å; C54-E110 PolarHBondContact SG-O 3.06Å; C54-L236 HydrophobicContact CB-CD1 4.16Å; C54-L236 VanDerWaalsContact SG-CD1 3.57Å
55G84.5Confident80.6Confident62 Ų6236.9 Ų36.964%0.63922%0.217SC*.SBendtrans116.2-135.6-179.900000110.3T57G55-T57 VanDerWaalsContact C-N 3.27Å; G55-T57 PolarHBondContact O-N 3.24Å
56K85.1Confident80.5Confident141 Ų14136.1 Ų36.161%0.61321%0.211SC*.SBendtrans-83.862.6-175.7-64.1-173.6175.3-174.90111.9R58 L89K56-R58 PolarHBondContact O-NE 2.79Å; K56-R58 PolarHBondContact O-NH2 3.26Å; K56-L89 HydrophobicContact CB-CD1 3.82Å; K56-L89 HydrophobicContact CB-CD2 4.32Å; K56-L89 HydrophobicContact CD-CD1 3.96Å; K56-L89 HydrophobicContact CG-CD1 4.37Å
57T79.7Confident80.1Confident35 Ų3537.5 Ų37.522%0.21522%0.217CC..  trans-56.4139.3-172.463.10000112.5G55 L236 P237 E239G55-T57 VanDerWaalsContact C-N 3.27Å; G55-T57 PolarHBondContact O-N 3.24Å; T57-L236 HydrophobicContact CG2-CB 4.35Å; T57-L236 HydrophobicContact CG2-CD1 3.9Å; T57-P237 WeakPolarHBondContact CB-O 3.39Å; T57-P237 PolarHBondContact OG1-O 3.03Å; T57-E239 WeakPolarHBondContact O-CB 3.33Å; T57-E239 PolarHBondContact O-N 3.41Å; T57-E239 VanDerWaalsContact O-N 3.14Å; T57-E239 PolarHBondContact OG1-N 2.69Å
58R87.5Confident78.5Confident43 Ų4338 Ų3816%0.16222%0.217CC..EExtended strand (participates in β ladder)trans-163.1147.3-179.158-160.663.7-129.2-23.2110.2K56 I87 L89 F240 Y242K56-R58 PolarHBondContact O-NE 2.79Å; K56-R58 PolarHBondContact O-NH2 3.26Å; R58-I87 WeakPolarHBondContact CD-O 3.31Å; R58-I87 HydrophobicContact CG-CD1 4.07Å; R58-I87 PolarHBondContact NH1-O 2.81Å; R58-L89 HydrophobicContact CG-CD2 4.44Å; R58-F240 WeakPolarHBondContact CA-O 3.13Å; R58-F240 HydrophobicContact CB-CB 4.2Å; R58-Y242 HydrophobicContact CB-CD2 4.12Å; R58-Y242 HydrophobicContact CB-CE2 3.9Å; R58-Y242 HydrophobicContact CG-CD2 4.49Å; R58-Y242 HydrophobicContact CG-CE2 4.3Å; R58-Y242 PolarHBondContact NH1-OH 2.88Å
59I83.1Confident77.1Confident17 Ų1737.8 Ų37.89%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-98135.3171.1-73.2164000108.6F8 V193 V195 A238 F240 L241 Y242F8-I59 HydrophobicContact CE2-CD1 4.31Å; I59-V193 HydrophobicContact CD1-CG1 3.95Å; I59-V193 HydrophobicContact CG1-CG1 4.15Å; I59-V193 HydrophobicContact CG2-CG1 4.29Å; I59-V195 HydrophobicContact CD1-CG2 4.22Å; I59-A238 HydrophobicContact CB-CB 4.48Å; I59-A238 HydrophobicContact CD1-CB 3.77Å; I59-A238 HydrophobicContact CG1-CB 3.76Å; I59-F240 PolarHBondContact N-O 2.65Å; I59-L241 HydrophobicContact CB-CD1 4.34Å; I59-L241 HydrophobicContact CG2-CD1 3.9Å; I59-Y242 PolarHBondContact O-N 2.75Å
60A84.3Confident75.6Confident37 Ų3739.7 Ų39.731%0.30623%0.23SC..EExtended strand (participates in β ladder)trans-116104.4172.500000109V62 I83 I87A60-V62 HydrophobicContact CB-CG2 4.27Å; A60-I83 HydrophobicContact CB-CG2 4.05Å; A60-I87 HydrophobicContact CB-CD1 4.13Å; A60-I87 HydrophobicContact CB-CG2 3.89Å
61E80.1Confident74Confident46 Ų4644.7 Ų44.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-92.5105.8175.3-178.561.2-154.200108.5L203 Y242 I244E61-L203 HydrophobicContact CB-CD2 4.46Å; E61-L203 HydrophobicContact CG-CD2 4.2Å; E61-Y242 PolarHBondContact N-O 3.14Å; E61-I244 PolarHBondContact O-N 3.26Å
62V80.7Confident72.9Confident35 Ų3542.2 Ų42.221%0.21225%0.249CC..EExtended strand (participates in β ladder)trans-114.5111.6-169.7-173.10000110.9A60 Y78 I83 I244A60-V62 HydrophobicContact CB-CG2 4.27Å; V62-Y78 HydrophobicContact CG1-CD1 3.44Å; V62-Y78 VanDerWaalsContact CG1-CD1 3.44Å; V62-Y78 HydrophobicContact CG1-CD2 4.25Å; V62-Y78 HydrophobicContact CG1-CE1 3.54Å; V62-Y78 HydrophobicContact CG1-CE2 4.34Å; V62-Y78 HydrophobicContact CG1-CG 3.82Å; V62-I83 HydrophobicContact CB-CD1 4.46Å; V62-I83 HydrophobicContact CG1-CD1 4.06Å; V62-I83 HydrophobicContact CG2-CD1 3.96Å; V62-I83 HydrophobicContact CG2-CG1 4.24Å; V62-I83 HydrophobicContact CG2-CG2 4.1Å; V62-I244 HydrophobicContact CG1-CG2 4.48Å; V62-I244 HydrophobicContact CG2-CB 4.42Å; V62-I244 HydrophobicContact CG2-CD1 4.29Å
63G84.3Confident72.6Confident0 Ų045.4 Ų45.40%027%0.266CS..SBendtrans77.4-127.1-177.800000112.2Y78 R243 I244G63-Y78 WeakPolarHBondContact CA-OH 3.36Å; G63-R243 PolarHBondContact O-NH1 3.12Å; G63-R243 PolarHBondContact O-NH2 3.45Å; G63-I244 PolarHBondContact N-O 2.64Å; G63-I244 VanDerWaalsContact N-O 3.11Å
64G70.8Confident71.7Confident27 Ų2751.5 Ų51.528%0.27829%0.294SS..  trans151.7174.8176.200000113.8P66 Y67G64-P66 VanDerWaalsContact C-CD 3.41Å; G64-P66 VanDerWaalsContact C-N 3.3Å; G64-Y67 PolarHBondContact O-N 3.17Å
65V67.6Low71.8Confident36 Ų3658.9 Ų58.922%0.21832%0.322CS..G310 helixtrans-52.5-35.2179.4-178.80000113.9Y67 L68 L69V65-Y67 PolarHBondContact O-N 3.31Å; V65-L68 WeakPolarHBondContact O-CA 3.19Å; V65-L68 WeakPolarHBondContact O-CB 3.39Å; V65-L68 PolarHBondContact O-N 3.38Å; V65-L69 HydrophobicContact CG1-CB 4.32Å; V65-L69 HydrophobicContact CG1-CD1 3.84Å; V65-L69 HydrophobicContact CG1-CG 4.17Å; V65-L69 PolarHBondContact O-N 2.83Å
66P80.6Confident71.3Confident29 Ų2958.8 Ų58.819%0.18830%0.304CS..G310 helixtrans-65-3.5175.6-26.637.9000116.4G64 L69 P247G64-P66 VanDerWaalsContact C-CD 3.41Å; G64-P66 VanDerWaalsContact C-N 3.3Å; P66-L69 CarbonylContact C-O 3.55Å; P66-L69 WeakPolarHBondContact CA-O 3.44Å; P66-P247 HydrophobicContact CB-CB 3.98Å; P66-P247 HydrophobicContact CB-CG 3.93Å; P66-P247 HydrophobicContact CG-CB 4.04Å; P66-P247 HydrophobicContact CG-CG 3.8Å
67Y71.1Confident70.5Confident44 Ų4458 Ų5817%0.17331%0.31CS..G310 helixtrans-96-4.7168-63.1-24.3000113.5G64 V65 N73 K76 Y78 D245G64-Y67 PolarHBondContact O-N 3.17Å; V65-Y67 PolarHBondContact O-N 3.31Å; Y67-N73 PolarHBondContact O-N 2.97Å; Y67-K76 HydrophobicContact CD1-CG 4.33Å; Y67-K76 HydrophobicContact CD2-CB 4.25Å; Y67-K76 HydrophobicContact CD2-CD 3.78Å; Y67-K76 HydrophobicContact CD2-CG 3.75Å; Y67-K76 HydrophobicContact CE2-CD 3.78Å; Y67-K76 HydrophobicContact CE2-CG 4.27Å; Y67-K76 VanDerWaalsContact CE2-NZ 3.33Å; Y67-K76 HydrophobicContact CG-CB 4.45Å; Y67-K76 HydrophobicContact CG-CD 4.21Å; Y67-K76 HydrophobicContact CG-CG 3.79Å; Y67-K76 PolarHBondContact OH-NZ 2.86Å; Y67-Y78 WeakPolarHBondContact CD2-OH 3.42Å; Y67-D245 VanDerWaalsContact CE2-OD2 3.25Å; Y67-D245 WeakPolarHBondContact CE2-OD2 3.1Å; Y67-D245 PolarHBondContact OH-O 2.77Å; Y67-D245 PolarHBondContact OH-OD1 3.46Å
68L53.9Low70.3Confident48 Ų4860.2 Ų60.225%0.25132%0.315SS..THydrogen-bonded Turntrans-107.1-40.2174.4174.565.7000111.1V65 L71 V72 M160 F164V65-L68 WeakPolarHBondContact O-CA 3.19Å; V65-L68 WeakPolarHBondContact O-CB 3.39Å; V65-L68 PolarHBondContact O-N 3.38Å; L68-L71 CarbonylContact O-C 3.58Å; L68-V72 HydrophobicContact CD1-CG2 4.44Å; L68-V72 WeakPolarHBondContact O-CA 3.04Å; L68-V72 PolarHBondContact O-N 2.82Å; L68-M160 HydrophobicContact CD1-SD 4.41Å; L68-M160 HydrophobicContact CD2-CE 4.46Å; L68-M160 HydrophobicContact CD2-SD 3.75Å; L68-F164 HydrophobicContact CD1-CD1 3.98Å; L68-F164 HydrophobicContact CD1-CE1 3.44Å; L68-F164 VanDerWaalsContact CD1-CE1 3.44Å; L68-F164 HydrophobicContact CD1-CZ 4.35Å
69L50.4Low70.1Confident15 Ų1561 Ų618%0.07932%0.323CS..SBendtrans-121.2151.6-177.1-61-178.9000111.1V65 P66 L71 L169 V175V65-L69 HydrophobicContact CG1-CB 4.32Å; V65-L69 HydrophobicContact CG1-CD1 3.84Å; V65-L69 HydrophobicContact CG1-CG 4.17Å; V65-L69 PolarHBondContact O-N 2.83Å; P66-L69 CarbonylContact C-O 3.55Å; P66-L69 WeakPolarHBondContact CA-O 3.44Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L169 HydrophobicContact CD2-CD1 4.27Å; L69-V175 HydrophobicContact CD1-CG2 4.05Å
70P49Very low69.8Low62 Ų6264.4 Ų64.440%0.40334%0.341SS..SBendcis-75.3-14.8-2.930.9-35.7000113.8P168P70-P168 HydrophobicContact CB-CB 3.83Å
71L48.4Very low69.6Low106 Ų10668.1 Ų68.156%0.55536%0.356SS*.SBendtrans-135.8138.2171.9-69.7175.3000109.4L68 L69L68-L71 CarbonylContact O-C 3.58Å; L69-L71 VanDerWaalsContact C-N 3.31Å
72V58.3Low70.1Confident44 Ų4471.9 Ų71.927%0.26737%0.371SS..  trans-66.9133.7-174.264.20000112.8L68 Q74 F164L68-V72 HydrophobicContact CD1-CG2 4.44Å; L68-V72 WeakPolarHBondContact O-CA 3.04Å; L68-V72 PolarHBondContact O-N 2.82Å; V72-Q74 HydrophobicContact CG1-CG 4Å; V72-Q74 HydrophobicContact CG2-CG 4.22Å; V72-F164 HydrophobicContact CB-CD1 4.25Å; V72-F164 HydrophobicContact CB-CD2 4.18Å; V72-F164 HydrophobicContact CB-CE1 4.35Å; V72-F164 HydrophobicContact CB-CE2 4.25Å; V72-F164 HydrophobicContact CB-CG 4.17Å; V72-F164 HydrophobicContact CB-CZ 4.34Å; V72-F164 HydrophobicContact CG1-CB 4.35Å; V72-F164 HydrophobicContact CG1-CD1 4.37Å; V72-F164 HydrophobicContact CG1-CD2 3.48Å; V72-F164 VanDerWaalsContact CG1-CD2 3.48Å; V72-F164 HydrophobicContact CG1-CE2 3.79Å; V72-F164 HydrophobicContact CG1-CG 3.79Å; V72-F164 HydrophobicContact CG1-CZ 4.37Å; V72-F164 HydrophobicContact CG2-CE1 4.34Å; V72-F164 HydrophobicContact CG2-CE2 4.18Å; V72-F164 HydrophobicContact CG2-CZ 4.04Å
73N70.6Confident70.4Confident67 Ų6770.4 Ų70.436%0.35836%0.362SS..  trans-9884.2170-172.3-9000110.4Y67 K75 K76Y67-N73 PolarHBondContact O-N 2.97Å; N73-K75 PolarHBondContact O-N 3.06Å; N73-K75 WeakPolarHBondContact OD1-CB 3.37Å; N73-K75 PolarHBondContact OD1-N 2.78Å; N73-K76 HydrophobicContact CB-CG 4.13Å; N73-K76 WeakPolarHBondContact O-CB 3.26Å; N73-K76 PolarHBondContact O-N 2.84Å
74Q59.9Low70.6Confident154 Ų15470.5 Ų70.572%0.7236%0.363SS*.THydrogen-bonded Turntrans-59.1-9.9-177.3-58.3-176.910.700114.8V72 K76V72-Q74 HydrophobicContact CG1-CG 4Å; V72-Q74 HydrophobicContact CG2-CG 4.22Å; Q74-K76 VanDerWaalsContact C-N 3.29Å
75K77.4Confident71.5Confident188 Ų18876 Ų7682%0.81738%0.379SS*.THydrogen-bonded Turntrans-78.7-10.8174.6-59.1178.8-179.5175.80113.1N73 V77N73-K75 PolarHBondContact O-N 3.06Å; N73-K75 WeakPolarHBondContact OD1-CB 3.37Å; N73-K75 PolarHBondContact OD1-N 2.78Å; K75-V77 VanDerWaalsContact C-N 3.34Å; K75-V77 PolarHBondContact O-N 2.77Å; K75-V77 VanDerWaalsContact O-N 3.11Å
76K74.2Confident72.7Confident61 Ų6177.2 Ų77.227%0.26538%0.382SS..  trans-85.475.1180-66.3-69.1-165.1163.60110.7Y67 N73 Q74 Y78 D245Y67-K76 HydrophobicContact CD1-CG 4.33Å; Y67-K76 HydrophobicContact CD2-CB 4.25Å; Y67-K76 HydrophobicContact CD2-CD 3.78Å; Y67-K76 HydrophobicContact CD2-CG 3.75Å; Y67-K76 HydrophobicContact CE2-CD 3.78Å; Y67-K76 HydrophobicContact CE2-CG 4.27Å; Y67-K76 VanDerWaalsContact CE2-NZ 3.33Å; Y67-K76 HydrophobicContact CG-CB 4.45Å; Y67-K76 HydrophobicContact CG-CD 4.21Å; Y67-K76 HydrophobicContact CG-CG 3.79Å; Y67-K76 PolarHBondContact OH-NZ 2.86Å; N73-K76 HydrophobicContact CB-CG 4.13Å; N73-K76 WeakPolarHBondContact O-CB 3.26Å; N73-K76 PolarHBondContact O-N 2.84Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; K76-Y78 HydrophobicContact CB-CE2 4.25Å; K76-D245 IonicContact NZ-OD1 3.05Å; K76-D245 PolarHBondContact NZ-OD1 3.32Å; K76-D245 IonicContact NZ-OD2 2.65Å; K76-D245 PolarHBondContact NZ-OD2 3.15Å
77V68.9Low73.1Confident123 Ų12376.1 Ų76.175%0.74538%0.375SS*.  trans-105.8141.7175.8-65.90000110.8K75K75-V77 VanDerWaalsContact C-N 3.34Å; K75-V77 PolarHBondContact O-N 2.77Å; K75-V77 VanDerWaalsContact O-N 3.11Å
78Y74.4Confident74.1Confident82 Ų8280.1 Ų80.132%0.32239%0.393SS..  trans-129.1148.1-170.3-58.8-70.5000112.1M1 V62 G63 Y67 K76 D245M1-Y78 HydrophobicContact SD-CD1 4.21Å; M1-Y78 HydrophobicContact SD-CE1 4.06Å; V62-Y78 HydrophobicContact CG1-CD1 3.44Å; V62-Y78 VanDerWaalsContact CG1-CD1 3.44Å; V62-Y78 HydrophobicContact CG1-CD2 4.25Å; V62-Y78 HydrophobicContact CG1-CE1 3.54Å; V62-Y78 HydrophobicContact CG1-CE2 4.34Å; V62-Y78 HydrophobicContact CG1-CG 3.82Å; G63-Y78 WeakPolarHBondContact CA-OH 3.36Å; Y67-Y78 WeakPolarHBondContact CD2-OH 3.42Å; K76-Y78 HydrophobicContact CB-CE2 4.25Å; Y78-D245 PolarHBondContact OH-OD2 2.84Å
79D83.4Confident75.9Confident60 Ų6079.7 Ų79.732%0.32139%0.391SS..  trans-120.1109.9-179.2173.5-23.2000108.3N81 K82 I83D79-N81 PolarHBondContact O-N 3.13Å; D79-N81 WeakPolarHBondContact OD1-CA 3.42Å; D79-N81 WeakPolarHBondContact OD1-CB 3.41Å; D79-N81 PolarHBondContact OD1-N 2.94Å; D79-K82 HydrophobicContact CB-CB 4.06Å; D79-K82 HydrophobicContact CB-CD 4.04Å; D79-K82 HydrophobicContact CB-CG 4.03Å; D79-K82 WeakPolarHBondContact O-CB 3.25Å; D79-K82 PolarHBondContact O-N 2.96Å; D79-K82 PolarHBondContact OD1-N 2.76Å; D79-K82 VanDerWaalsContact OD1-N 3.07Å; D79-K82 WeakPolarHBondContact OD2-CE 3.39Å; D79-K82 WeakPolarHBondContact OD2-CG 3.31Å; D79-K82 IonicContact OD2-NZ 3.77Å; D79-K82 PolarHBondContact OD2-NZ 2.92Å; D79-I83 WeakPolarHBondContact O-CG1 3.29Å; D79-I83 PolarHBondContact O-N 3.08Å
80L76.9Confident77.8Confident88 Ų8883.5 Ų83.546%0.46142%0.416SS..Hα-helixtrans-63.2-26.8-174.7-67.3174000113I83 A84 I94L80-I83 HydrophobicContact CD2-CD1 3.93Å; L80-A84 VanDerWaalsContact O-CB 3.3Å; L80-A84 WeakPolarHBondContact O-CB 3.44Å; L80-A84 PolarHBondContact O-N 2.62Å; L80-I94 HydrophobicContact CB-CD1 4.05Å; L80-I94 HydrophobicContact CD2-CD1 4.43Å; L80-I94 HydrophobicContact CD2-CG2 4.46Å
81N81.8Confident79.4Confident116 Ų11683.4 Ų83.462%0.6243%0.427SS*.Hα-helixtrans-76.3-29.9174-81.6-34.4000112.4D79 K85D79-N81 PolarHBondContact O-N 3.13Å; D79-N81 WeakPolarHBondContact OD1-CA 3.42Å; D79-N81 WeakPolarHBondContact OD1-CB 3.41Å; D79-N81 PolarHBondContact OD1-N 2.94Å; N81-K85 WeakPolarHBondContact O-CG 3.41Å; N81-K85 PolarHBondContact O-N 2.92Å
82K89.1Confident81.1Confident124 Ų12479.3 Ų79.354%0.53941%0.408SS..Hα-helixtrans-71.8-42.5168.4-68.6-176.4-173.9101.60111D79 A84 K85 E86D79-K82 HydrophobicContact CB-CB 4.06Å; D79-K82 HydrophobicContact CB-CD 4.04Å; D79-K82 HydrophobicContact CB-CG 4.03Å; D79-K82 WeakPolarHBondContact O-CB 3.25Å; D79-K82 PolarHBondContact O-N 2.96Å; D79-K82 PolarHBondContact OD1-N 2.76Å; D79-K82 VanDerWaalsContact OD1-N 3.07Å; D79-K82 WeakPolarHBondContact OD2-CE 3.39Å; D79-K82 WeakPolarHBondContact OD2-CG 3.31Å; D79-K82 IonicContact OD2-NZ 3.77Å; D79-K82 PolarHBondContact OD2-NZ 2.92Å; K82-A84 PolarHBondContact O-N 3.02Å; K82-K85 WeakPolarHBondContact O-CB 3.48Å; K82-K85 PolarHBondContact O-N 2.88Å; K82-K85 VanDerWaalsContact O-N 3.08Å; K82-E86 PolarHBondContact O-N 2.98Å
83I86.9Confident82Confident5 Ų579.4 Ų79.43%0.02641%0.405CS..Hα-helixtrans-58.3-47.4174.3-68.5156.3000110.4A60 V62 D79 L80 K85 E86 I87A60-I83 HydrophobicContact CB-CG2 4.05Å; V62-I83 HydrophobicContact CB-CD1 4.46Å; V62-I83 HydrophobicContact CG1-CD1 4.06Å; V62-I83 HydrophobicContact CG2-CD1 3.96Å; V62-I83 HydrophobicContact CG2-CG1 4.24Å; V62-I83 HydrophobicContact CG2-CG2 4.1Å; D79-I83 WeakPolarHBondContact O-CG1 3.29Å; D79-I83 PolarHBondContact O-N 3.08Å; L80-I83 HydrophobicContact CD2-CD1 3.93Å; I83-K85 PolarHBondContact O-N 3.06Å; I83-K85 VanDerWaalsContact O-N 3.16Å; I83-E86 PolarHBondContact O-N 2.82Å; I83-I87 HydrophobicContact CG2-CD1 4.41Å; I83-I87 HydrophobicContact CG2-CG2 4.14Å; I83-I87 WeakPolarHBondContact O-CG1 3.06Å; I83-I87 PolarHBondContact O-N 3.01Å
84A88.3Confident82.3Confident1 Ų179.4 Ų79.41%0.00840%0.404CS..Hα-helixtrans-51.5-39174.800000112.6L80 K82 I87 L89 A92 I94L80-A84 VanDerWaalsContact O-CB 3.3Å; L80-A84 WeakPolarHBondContact O-CB 3.44Å; L80-A84 PolarHBondContact O-N 2.62Å; K82-A84 PolarHBondContact O-N 3.02Å; A84-I87 WeakPolarHBondContact O-CG1 3.49Å; A84-L89 CarbonylContact O-C 3.58Å; A84-L89 WeakPolarHBondContact O-CA 3.25Å; A84-L89 PolarHBondContact O-N 2.92Å; A84-L89 VanDerWaalsContact O-O 3.11Å; A84-A92 HydrophobicContact CB-CB 4.1Å; A84-I94 HydrophobicContact CB-CD1 4.29Å
85K91.5Very high82.7Confident143 Ų14374.6 Ų74.662%0.62238%0.383SS*.Hα-helixtrans-73.2-43.2174.6-67.1168.7-176.5-1800112.6N81 K82 I83 K88 P90N81-K85 WeakPolarHBondContact O-CG 3.41Å; N81-K85 PolarHBondContact O-N 2.92Å; K82-K85 WeakPolarHBondContact O-CB 3.48Å; K82-K85 PolarHBondContact O-N 2.88Å; K82-K85 VanDerWaalsContact O-N 3.08Å; I83-K85 PolarHBondContact O-N 3.06Å; I83-K85 VanDerWaalsContact O-N 3.16Å; K85-K88 PolarHBondContact O-N 2.86Å; K85-K88 VanDerWaalsContact O-N 3.1Å; K85-P90 HydrophobicContact CG-CB 4.17Å
86E91.1Very high82.3Confident61 Ų6166.8 Ų66.829%0.28536%0.356SS..Hα-helixtrans-62-40.8177.3-72.2-169.1151.800111.8M1 K82 I83 K88M1-E86 PolarHBondContact N-OE1 2.98Å; K82-E86 PolarHBondContact O-N 2.98Å; I83-E86 PolarHBondContact O-N 2.82Å; E86-K88 PolarHBondContact O-N 2.78Å; E86-K88 VanDerWaalsContact O-N 3.12Å
87I89Confident81.3Confident6 Ų665.7 Ų65.73%0.03136%0.358CS..THydrogen-bonded Turntrans-78.817.3174.374-174.1000113.5R58 A60 I83 A84 L89 Y242 I244R58-I87 WeakPolarHBondContact CD-O 3.31Å; R58-I87 HydrophobicContact CG-CD1 4.07Å; R58-I87 PolarHBondContact NH1-O 2.81Å; A60-I87 HydrophobicContact CB-CD1 4.13Å; A60-I87 HydrophobicContact CB-CG2 3.89Å; I83-I87 HydrophobicContact CG2-CD1 4.41Å; I83-I87 HydrophobicContact CG2-CG2 4.14Å; I83-I87 WeakPolarHBondContact O-CG1 3.06Å; I83-I87 PolarHBondContact O-N 3.01Å; A84-I87 WeakPolarHBondContact O-CG1 3.49Å; I87-L89 HydrophobicContact CG1-CB 4.31Å; I87-L89 PolarHBondContact O-N 2.97Å; I87-L89 VanDerWaalsContact O-N 3.16Å; I87-Y242 HydrophobicContact CB-CD1 4.35Å; I87-Y242 HydrophobicContact CB-CD2 3.79Å; I87-Y242 HydrophobicContact CB-CE2 4.03Å; I87-Y242 HydrophobicContact CB-CG 3.96Å; I87-Y242 HydrophobicContact CG2-CD1 4.26Å; I87-Y242 HydrophobicContact CG2-CD2 3.94Å; I87-Y242 HydrophobicContact CG2-CG 3.71Å; I87-I244 HydrophobicContact CG2-CD1 4.03Å
88K92.9Very high80.7Confident128 Ų12863 Ų6356%0.55736%0.355SS*.THydrogen-bonded Turntrans58.226.7175.9-51175.3-174.1169.40114.7E5 K85 E86E5-K88 IonicContact OE1-NZ 2.78Å; E5-K88 PolarHBondContact OE1-NZ 3.07Å; E5-K88 WeakPolarHBondContact OE2-CD 3.42Å; E5-K88 WeakPolarHBondContact OE2-CE 3.43Å; E5-K88 IonicContact OE2-NZ 2.63Å; E5-K88 PolarHBondContact OE2-NZ 3.4Å; K85-K88 PolarHBondContact O-N 2.86Å; K85-K88 VanDerWaalsContact O-N 3.1Å; E86-K88 PolarHBondContact O-N 2.78Å; E86-K88 VanDerWaalsContact O-N 3.12Å
89L90.5Very high79Confident39 Ų3964 Ų6420%0.20438%0.381CS..  trans-132.765.4178.3-168.262.6000111.7K56 R58 A84 I87 G91 A92K56-L89 HydrophobicContact CB-CD1 3.82Å; K56-L89 HydrophobicContact CB-CD2 4.32Å; K56-L89 HydrophobicContact CD-CD1 3.96Å; K56-L89 HydrophobicContact CG-CD1 4.37Å; R58-L89 HydrophobicContact CG-CD2 4.44Å; A84-L89 CarbonylContact O-C 3.58Å; A84-L89 WeakPolarHBondContact O-CA 3.25Å; A84-L89 PolarHBondContact O-N 2.92Å; A84-L89 VanDerWaalsContact O-O 3.11Å; I87-L89 HydrophobicContact CG1-CB 4.31Å; I87-L89 PolarHBondContact O-N 2.97Å; I87-L89 VanDerWaalsContact O-N 3.16Å; L89-G91 PolarHBondContact O-N 2.95Å; L89-A92 HydrophobicContact CB-CB 4.24Å; L89-A92 HydrophobicContact CD2-CB 3.75Å; L89-A92 HydrophobicContact CG-CB 3.82Å; L89-A92 VanDerWaalsContact O-CB 3.3Å; L89-A92 WeakPolarHBondContact O-CB 3.39Å; L89-A92 PolarHBondContact O-N 3.34Å
90P91Very high76.8Confident95 Ų9564.4 Ų64.462%0.61740%0.399SS*.THydrogen-bonded Turntrans-58.6130.5174.725.9-34.4000110.5K85K85-P90 HydrophobicContact CG-CB 4.17Å
91G83.3Confident74.9Confident60 Ų6065.3 Ų65.362%0.61941%0.41SS*.THydrogen-bonded Turntrans82.414.7-173.200000114.6L89 F93L89-G91 PolarHBondContact O-N 2.95Å; G91-F93 PolarHBondContact O-N 3.25Å
92A83.4Confident72.7Confident20 Ų2065.8 Ų65.817%0.16541%0.407CS..  trans-50.9133.7171.300000112A84 L89 I94A84-A92 HydrophobicContact CB-CB 4.1Å; L89-A92 HydrophobicContact CB-CB 4.24Å; L89-A92 HydrophobicContact CD2-CB 3.75Å; L89-A92 HydrophobicContact CG-CB 3.82Å; L89-A92 VanDerWaalsContact O-CB 3.3Å; L89-A92 WeakPolarHBondContact O-CB 3.39Å; L89-A92 PolarHBondContact O-N 3.34Å; A92-I94 HydrophobicContact CB-CD1 4.4Å; A92-I94 HydrophobicContact CB-CG1 3.92Å
93F76.9Confident70.2Confident47 Ų4766.5 Ų66.521%0.20641%0.412CS..  trans-74.5123.3153.2176.7-126.5000108F48 P49 V50 I53 G91 L95 L105F48-F93 HydrophobicContact CB-CZ 4.09Å; F48-F93 HydrophobicContact CD2-CE1 4.19Å; F48-F93 AromaticContact CD2-CZ 3.83Å; F48-F93 HydrophobicContact CD2-CZ 3.83Å; F48-F93 HydrophobicContact CG-CZ 4.03Å; P49-F93 HydrophobicContact CG-CD2 3.9Å; P49-F93 HydrophobicContact CG-CE2 3.46Å; P49-F93 VanDerWaalsContact CG-CE2 3.46Å; P49-F93 HydrophobicContact CG-CZ 4.37Å; V50-F93 HydrophobicContact CB-CD1 4.28Å; V50-F93 HydrophobicContact CB-CE1 4.44Å; V50-F93 HydrophobicContact CB-CG 4.36Å; V50-F93 HydrophobicContact CG1-CB 3.78Å; V50-F93 HydrophobicContact CG1-CD1 4.02Å; V50-F93 HydrophobicContact CG1-CD2 4.02Å; V50-F93 HydrophobicContact CG1-CG 3.66Å; V50-F93 HydrophobicContact CG2-CD1 3.31Å; V50-F93 HydrophobicContact CG2-CD2 4.03Å; V50-F93 HydrophobicContact CG2-CE1 3.12Å; V50-F93 HydrophobicContact CG2-CE2 3.92Å; V50-F93 HydrophobicContact CG2-CG 3.73Å; V50-F93 HydrophobicContact CG2-CZ 3.45Å; V50-F93 VanDerWaalsContact CG2-CZ 3.45Å; I53-F93 HydrophobicContact CG2-CD1 4.31Å; I53-F93 HydrophobicContact CG2-CE1 3.9Å; G91-F93 PolarHBondContact O-N 3.25Å; F93-L95 HydrophobicContact CD1-CG 4.26Å; F93-L95 HydrophobicContact CE1-CD1 3.61Å; F93-L95 HydrophobicContact CE1-CD2 3.9Å; F93-L95 HydrophobicContact CE1-CG 3.42Å; F93-L95 VanDerWaalsContact CE1-CG 3.42Å; F93-L95 HydrophobicContact CE2-CD2 4.12Å; F93-L95 HydrophobicContact CE2-CG 4.34Å; F93-L95 HydrophobicContact CZ-CD1 3.99Å; F93-L95 HydrophobicContact CZ-CD2 3.39Å; F93-L95 HydrophobicContact CZ-CG 3.49Å; F93-L95 VanDerWaalsContact CZ-CG 3.49Å; F93-L105 HydrophobicContact CB-CD1 3.93Å; F93-L105 HydrophobicContact CD2-CD1 3.88Å; F93-L105 HydrophobicContact CG-CD1 4.28Å
94I76.6Confident68.1Low67 Ų6771.8 Ų71.834%0.34445%0.445SS..  trans-112.4122-177.8-63169.9000108.3L80 A84 A92L80-I94 HydrophobicContact CB-CD1 4.05Å; L80-I94 HydrophobicContact CD2-CD1 4.43Å; L80-I94 HydrophobicContact CD2-CG2 4.46Å; A84-I94 HydrophobicContact CB-CD1 4.29Å; A92-I94 HydrophobicContact CB-CD1 4.4Å; A92-I94 HydrophobicContact CB-CG1 3.92Å
95L69.5Low66.3Low52 Ų5275.8 Ų75.827%0.27247%0.466SS..  trans-114.1153.7164.8-72.4179.2000109.1F48 I53 F93 L191F48-L95 HydrophobicContact CD2-CD1 4.26Å; F48-L95 HydrophobicContact CD2-CD2 4.28Å; F48-L95 HydrophobicContact CE1-CD2 4.26Å; F48-L95 HydrophobicContact CE2-CD1 3.63Å; F48-L95 HydrophobicContact CE2-CD2 3.87Å; F48-L95 HydrophobicContact CE2-CG 4.38Å; F48-L95 HydrophobicContact CZ-CD1 4.23Å; F48-L95 HydrophobicContact CZ-CD2 3.86Å; I53-L95 HydrophobicContact CG2-CD1 3.52Å; F93-L95 HydrophobicContact CD1-CG 4.26Å; F93-L95 HydrophobicContact CE1-CD1 3.61Å; F93-L95 HydrophobicContact CE1-CD2 3.9Å; F93-L95 HydrophobicContact CE1-CG 3.42Å; F93-L95 VanDerWaalsContact CE1-CG 3.42Å; F93-L95 HydrophobicContact CE2-CD2 4.12Å; F93-L95 HydrophobicContact CE2-CG 4.34Å; F93-L95 HydrophobicContact CZ-CD1 3.99Å; F93-L95 HydrophobicContact CZ-CD2 3.39Å; F93-L95 HydrophobicContact CZ-CG 3.49Å; F93-L95 VanDerWaalsContact CZ-CG 3.49Å; L95-L191 HydrophobicContact CD2-CD2 4.2Å
96G69.3Low63.9Low24 Ų2470.3 Ų70.325%0.24745%0.45CS..SBendtrans160.1-179.4173.800000111.7G98G96-G98 PolarHBondContact O-N 2.96Å
97A52.8Low61.4Low38 Ų3872 Ų7231%0.31446%0.457SS..SBendtrans-77.9109.3169.500000109.8H209A97-H209 HydrophobicContact CB-CB 4Å
98G56.4Low58.8Low66 Ų6678.6 Ų78.668%0.6849%0.492SS*.SBendtrans177.5174.8-17900000110.8G96G96-G98 PolarHBondContact O-N 2.96Å
99A38.4Very low56.5Low104 Ų10473 Ų7386%0.8647%0.469SS*.  trans-92.1125.7178.400000111.6
100G37.3Very low54.2Low68 Ų6876.7 Ų76.770%0.70149%0.485SS*.  trans-173.5156178.100000117
101P36Very low53Low107 Ų10772.2 Ų72.270%0.69546%0.456SS*.  trans-111175.5177.540.7-32.9000115.3
102F35.8Very low52.5Low127 Ų12769.3 Ų69.356%0.55743%0.426SS*.  trans-125.417.8-143.172.4-86.6000120.5P49P49-F102 VanDerWaalsContact CB-O 3.31Å; P49-F102 WeakPolarHBondContact CB-O 3.42Å; P49-F102 WeakPolarHBondContact CD-O 3.24Å
103Q38.1Very low52.6Low138 Ų13869.2 Ų69.265%0.64542%0.422SS*.  trans-84.6-12.2-153.8-59.396.4-3.700122.1
104T42.8Very low53Low116 Ų11667 Ų6771%0.71241%0.413SS*.SBendtrans-137.515.3-138.228.20000124.1P49P49-T104 VanDerWaalsContact CB-N 3.34Å
105L50.1Low53.7Low85 Ų8567.1 Ų67.145%0.44541%0.411SS..  trans-128.6-148.2-171.2-56.4171.2000114.4P49 V50 F93P49-L105 HydrophobicContact CB-CB 4.01Å; P49-L105 HydrophobicContact CB-CD1 4.37Å; P49-L105 HydrophobicContact CB-CG 4.13Å; P49-L105 HydrophobicContact CG-CD1 4.32Å; P49-L105 CarbonylContact O-C 3.55Å; P49-L105 VanDerWaalsContact O-CA 3.25Å; P49-L105 WeakPolarHBondContact O-CA 3.41Å; P49-L105 PolarHBondContact O-N 3.35Å; P49-L105 VanDerWaalsContact O-O 3.09Å; V50-L105 HydrophobicContact CB-CB 4.44Å; V50-L105 HydrophobicContact CG1-CB 3.48Å; V50-L105 VanDerWaalsContact CG1-CB 3.48Å; V50-L105 HydrophobicContact CG1-CD1 3.65Å; V50-L105 HydrophobicContact CG1-CG 4.22Å; F93-L105 HydrophobicContact CB-CD1 3.93Å; F93-L105 HydrophobicContact CD2-CD1 3.88Å; F93-L105 HydrophobicContact CG-CD1 4.28Å
106G40.2Very low54.9Low28 Ų2864.7 Ų64.729%0.28940%0.398SS..  trans152.15116700000123P49 K51P49-G106 PolarHBondContact O-N 3.06Å; K51-G106 WeakPolarHBondContact CE-O 3.35Å
107F40Very low56.3Low98 Ų9866.9 Ų66.943%0.4340%0.401SS..  trans-120.7164.2-173.947.8-101.4000117.7V50 K51 G52V50-F107 HydrophobicContact CG1-CE1 4.01Å; V50-F107 HydrophobicContact CG1-CE2 4.27Å; V50-F107 HydrophobicContact CG1-CZ 3.84Å; K51-F107 CarbonylContact C-O 3.58Å; K51-F107 WeakPolarHBondContact CB-O 3.32Å; G52-F107 PolarHBondContact N-O 3.37Å
108N32.9Very low58.3Low144 Ų14471 Ų7177%0.7741%0.408SS*.  trans-75.7161.1-167.1-162.719.4000116.1
109S45.4Very low60.3Low11 Ų1169.8 Ų69.88%0.07738%0.383CS..  trans-172.5150.8-164.4-79.40000115.8C38 G52 I53 C54C38-S109 WeakPolarHBondContact CA-O 3.4Å; C38-S109 VanDerWaalsContact CB-CB 3.4Å; C38-S109 WeakPolarHBondContact CB-O 3.31Å; C38-S109 PolarHBondContact N-O 2.87Å; G52-S109 WeakPolarHBondContact CA-OG 3.4Å; I53-S109 PolarHBondContact N-OG 3.21Å; C54-S109 VanDerWaalsContact CB-OG 3.27Å; C54-S109 WeakPolarHBondContact CB-OG 3.13Å; C54-S109 PolarHBondContact N-OG 2.96Å; C54-S109 VanDerWaalsContact SG-CA 3.56Å; C54-S109 WeakPolarHBondContact SG-CB 3.34Å; C54-S109 PolarHBondContact SG-OG 2.93Å; C54-S109 VanDerWaalsContact SG-OG 3.35Å
110E41.8Very low63.1Low116 Ų11669.5 Ų69.554%0.54237%0.371SS..EExtended strand (participates in β ladder)trans-120.7138.6167-75175.3125.600111.3V36 C54V36-E110 CarbonylContact O-C 3.53Å; C54-E110 PolarHBondContact SG-N 2.93Å; C54-E110 PolarHBondContact SG-O 3.06Å
111V66.3Low65.8Low0 Ų067 Ų670%034%0.344CS..EExtended strand (participates in β ladder)trans-140.2166.1-170.6-65.70000113.8V36 C38 I53 Y234 L236V36-V111 HydrophobicContact CG2-CG2 4.32Å; V36-V111 PolarHBondContact N-O 2.89Å; V36-V111 PolarHBondContact O-N 3.17Å; V36-V111 VanDerWaalsContact O-O 3.06Å; C38-V111 HydrophobicContact CB-CB 4.46Å; C38-V111 HydrophobicContact CB-CG1 3.79Å; C38-V111 HydrophobicContact CB-CG2 3.94Å; C38-V111 VanDerWaalsContact SG-CG1 3.53Å; I53-V111 HydrophobicContact CD1-CG1 3.94Å; I53-V111 HydrophobicContact CG1-CG1 3.67Å; V111-Y234 HydrophobicContact CG2-CD1 3.65Å; V111-Y234 HydrophobicContact CG2-CG 4.26Å; V111-L236 HydrophobicContact CB-CD2 4.49Å; V111-L236 HydrophobicContact CG1-CD1 4.26Å; V111-L236 HydrophobicContact CG1-CD2 4.2Å; V111-L236 HydrophobicContact CG1-CG 4.03Å
112I72.3Confident68.7Low0 Ų067.3 Ų67.30%035%0.347CS..EExtended strand (participates in β ladder)trans-82.4114.3166.7-55.2178.7000108.4L13 L16 M20 V33 V114 M144 Y234 F235L13-I112 HydrophobicContact CB-CG1 4.5Å; L13-I112 HydrophobicContact CD2-CD1 4.16Å; L13-I112 HydrophobicContact CD2-CG1 4.1Å; L16-I112 HydrophobicContact CB-CD1 3.69Å; L16-I112 HydrophobicContact CD1-CD1 4.14Å; M20-I112 HydrophobicContact SD-CD1 4.42Å; M20-I112 HydrophobicContact SD-CG2 4.43Å; V33-I112 HydrophobicContact CG1-CG2 3.51Å; I112-V114 HydrophobicContact CG2-CG2 4.18Å; I112-M144 HydrophobicContact CD1-CE 4.35Å; I112-Y234 WeakPolarHBondContact O-CA 3.46Å; I112-F235 PolarHBondContact N-O 2.87Å; I112-F235 PolarHBondContact O-N 3.02Å
113E85.5Confident71.7Confident18 Ų1863.5 Ų63.58%0.08433%0.332CS..EExtended strand (participates in β ladder)trans-85.9131.5167.5-176.9-176.7-120.600110.2V33 S34 V36 K115 L232 G233 Y234V33-E113 WeakPolarHBondContact CA-O 3.33Å; S34-E113 PolarHBondContact N-O 3.37Å; S34-E113 VanDerWaalsContact N-O 3.13Å; S34-E113 PolarHBondContact O-N 2.85Å; V36-E113 HydrophobicContact CG1-CB 4.45Å; V36-E113 HydrophobicContact CG2-CB 3.53Å; E113-K115 HydrophobicContact CG-CG 4.46Å; E113-K115 WeakPolarHBondContact OE1-CE 3.49Å; E113-K115 IonicContact OE1-NZ 3.07Å; E113-K115 PolarHBondContact OE1-NZ 3.07Å; E113-K115 VanDerWaalsContact OE2-CE 3.24Å; E113-K115 WeakPolarHBondContact OE2-CE 3.39Å; E113-K115 IonicContact OE2-NZ 3.74Å; E113-K115 PolarHBondContact OE2-NZ 3.19Å; E113-L232 HydrophobicContact CG-CD1 3.89Å; E113-G233 CarbonylContact C-O 2.86Å; E113-G233 WeakPolarHBondContact CA-O 3.38Å; E113-Y234 HydrophobicContact CB-CD1 3.96Å; E113-Y234 HydrophobicContact CB-CE1 3.69Å; E113-Y234 HydrophobicContact CG-CD1 4.1Å; E113-Y234 HydrophobicContact CG-CE1 3.48Å; E113-Y234 VanDerWaalsContact CG-CE1 3.48Å; E113-Y234 WeakPolarHBondContact OE1-CE1 3.35Å; E113-Y234 PolarHBondContact OE1-OH 3.46Å
114V84.9Confident74.6Confident0 Ų058.1 Ų58.10%031%0.307CS..EExtended strand (participates in β ladder)trans-119.9116.1175-179.40000108.8M20 L24 V33 I112 F125 M129 L232 G233 F235M20-V114 HydrophobicContact CE-CG2 3.74Å; L24-V114 HydrophobicContact CD1-CG1 3.7Å; V33-V114 HydrophobicContact CG1-CG2 4.06Å; V33-V114 HydrophobicContact CG2-CG1 4.35Å; V33-V114 HydrophobicContact CG2-CG2 4.41Å; I112-V114 HydrophobicContact CG2-CG2 4.18Å; V114-F125 HydrophobicContact CB-CZ 4.2Å; V114-F125 HydrophobicContact CG1-CE2 3.64Å; V114-F125 HydrophobicContact CG1-CZ 3.63Å; V114-M129 HydrophobicContact CG1-SD 4.47Å; V114-M129 HydrophobicContact CG2-SD 4.35Å; V114-L232 WeakPolarHBondContact O-CA 3.46Å; V114-G233 PolarHBondContact N-O 3.04Å; V114-G233 PolarHBondContact O-N 2.84Å; V114-F235 HydrophobicContact CB-CD2 4.22Å; V114-F235 HydrophobicContact CB-CE2 3.99Å; V114-F235 HydrophobicContact CG2-CD2 3.67Å; V114-F235 HydrophobicContact CG2-CE2 3.89Å
115K92.5Very high77.2Confident70 Ų7052.6 Ų52.630%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-109.8114.9170-77.7160.9176.91530108.4V31 Q32 E113 L232V31-K115 WeakPolarHBondContact CA-O 3.17Å; Q32-K115 HydrophobicContact CB-CB 4.42Å; Q32-K115 PolarHBondContact N-O 2.96Å; Q32-K115 PolarHBondContact O-N 2.91Å; E113-K115 HydrophobicContact CG-CG 4.46Å; E113-K115 WeakPolarHBondContact OE1-CE 3.49Å; E113-K115 IonicContact OE1-NZ 3.07Å; E113-K115 PolarHBondContact OE1-NZ 3.07Å; E113-K115 VanDerWaalsContact OE2-CE 3.24Å; E113-K115 WeakPolarHBondContact OE2-CE 3.39Å; E113-K115 IonicContact OE2-NZ 3.74Å; E113-K115 PolarHBondContact OE2-NZ 3.19Å; K115-L232 HydrophobicContact CD-CD1 4.26Å; K115-L232 HydrophobicContact CG-CD1 3.59Å
116A94.9Very high79.5Confident0 Ų048.6 Ų48.60%025%0.253CS..EExtended strand (participates in β ladder)trans-130.6127.2178.100000110.1F28 F125 Y231F28-A116 HydrophobicContact CD1-CB 4.07Å; F28-A116 HydrophobicContact CE1-CB 4.35Å; F28-A116 HydrophobicContact CG-CB 4.19Å; A116-F125 HydrophobicContact CB-CD2 4.12Å; A116-F125 HydrophobicContact CB-CE2 3.73Å; A116-Y231 PolarHBondContact N-O 2.77Å; A116-Y231 VanDerWaalsContact N-O 3.1Å; A116-Y231 PolarHBondContact O-N 3.36Å
117K97.1Very high82.2Confident71 Ų7148.2 Ų48.231%0.30925%0.245SC..EExtended strand (participates in β ladder)trans-131.3150.8178.7-52.3-171.2178.6-156.50110.5D30 V229 E230D30-K117 HydrophobicContact CB-CB 4.29Å; D30-K117 PolarHBondContact N-O 3.46Å; D30-K117 PolarHBondContact O-N 3.28Å; K117-V229 WeakPolarHBondContact CA-O 3.39Å; K117-E230 HydrophobicContact CB-CG 4.25Å; K117-E230 HydrophobicContact CD-CB 4.42Å; K117-E230 HydrophobicContact CD-CG 3.77Å; K117-E230 VanDerWaalsContact CE-OE2 3.29Å; K117-E230 WeakPolarHBondContact CE-OE2 3.49Å; K117-E230 HydrophobicContact CG-CB 4.19Å; K117-E230 HydrophobicContact CG-CG 3.87Å; K117-E230 IonicContact NZ-OE1 3.24Å; K117-E230 IonicContact NZ-OE2 3.65Å; K117-E230 PolarHBondContact NZ-OE2 2.8Å
118R96.6Very high85Confident124 Ų12443.7 Ų43.747%0.46823%0.225SC..EExtended strand (participates in β ladder)trans55.584.4173.9-52.7-170.6-72168.9-1.8111.9A29 D30 T120 P226 D227 V229A29-R118 HydrophobicContact CB-CB 4.16Å; A29-R118 PolarHBondContact N-O 2.91Å; D30-R118 IonicContact OD1-CZ 2.59Å; D30-R118 IonicContact OD1-NH2 3.53Å; D30-R118 PolarHBondContact OD1-NH2 3.1Å; D30-R118 IonicContact OD2-CZ 2.73Å; D30-R118 IonicContact OD2-NE 3.59Å; D30-R118 PolarHBondContact OD2-NE 3.19Å; D30-R118 IonicContact OD2-NH2 3.98Å; D30-R118 PolarHBondContact OD2-NH2 3.03Å; R118-T120 PolarHBondContact O-N 3.31Å; R118-P226 CarbonylContact C-O 3.43Å; R118-P226 VanDerWaalsContact CA-O 3.26Å; R118-P226 WeakPolarHBondContact CA-O 3.42Å; R118-D227 WeakPolarHBondContact CG-O 3.37Å; R118-V229 PolarHBondContact N-O 2.98Å
119R97.5Very high88.1Confident40 Ų4036.9 Ų36.915%0.15119%0.189CC..EExtended strand (participates in β ladder)trans-65.1126.4178.5-175170.557.192.7-8.1110F28 G121 L123 D223 P226 V229F28-R119 HydrophobicContact CD1-CB 3.83Å; F28-R119 HydrophobicContact CD1-CG 4.29Å; F28-R119 HydrophobicContact CE1-CB 3.55Å; F28-R119 HydrophobicContact CE1-CG 3.87Å; F28-R119 HydrophobicContact CZ-CB 4.24Å; F28-R119 HydrophobicContact CZ-CG 4.05Å; R119-G121 WeakPolarHBondContact CG-O 3.42Å; R119-G121 PolarHBondContact NH1-O 3.38Å; R119-L123 WeakPolarHBondContact CD-O 3.48Å; R119-D223 IonicContact CZ-OD1 2.69Å; R119-D223 IonicContact CZ-OD2 2.87Å; R119-D223 VanDerWaalsContact NE-CG 3.3Å; R119-D223 IonicContact NE-OD1 3.47Å; R119-D223 PolarHBondContact NE-OD1 2.76Å; R119-D223 VanDerWaalsContact NE-OD1 3.07Å; R119-D223 IonicContact NE-OD2 2.72Å; R119-D223 PolarHBondContact NE-OD2 3.06Å; R119-D223 PolarHBondContact NH2-O 3.12Å; R119-D223 IonicContact NH2-OD2 3.17Å; R119-D223 PolarHBondContact NH2-OD2 2.57Å; R119-P226 HydrophobicContact CB-CB 3.9Å; R119-P226 PolarHBondContact N-O 2.94Å; R119-V229 HydrophobicContact CB-CG1 4.13Å
120T96.5Very high90.6Very high99 Ų9937.3 Ų37.361%0.60719%0.189SC*.  trans-112-23.6179.650.50000112.4N27 F28 A29 R118N27-T120 VanDerWaalsContact C-OG1 3.22Å; N27-T120 PolarHBondContact O-N 2.97Å; N27-T120 PolarHBondContact O-OG1 3.31Å; F28-T120 PolarHBondContact N-OG1 3.23Å; A29-T120 HydrophobicContact CB-CG2 3.97Å; R118-T120 PolarHBondContact O-N 3.31Å
121G95.3Very high93.3Very high14 Ų1435.3 Ų35.314%0.14418%0.179CC..SBendtrans-100174.4177.600000114.4N27 R119N27-G121 PolarHBondContact O-N 2.89Å; N27-G121 WeakPolarHBondContact OD1-CA 3.37Å; R119-G121 WeakPolarHBondContact CG-O 3.42Å; R119-G121 PolarHBondContact NH1-O 3.38Å
122P97.1Very high94.8Very high115 Ų11536.2 Ų36.275%0.74719%0.185SC*.SBendtrans-75-29.4-174.630.2-35000113.5
123L97.9Very high95.8Very high46 Ų4636.2 Ų36.224%0.24119%0.185CC..SBendtrans-72.3139.4-171.7-55-179.6000112.1N27 R119 T127 C128 E131N27-L123 PolarHBondContact ND2-O 3.33Å; N27-L123 PolarHBondContact OD1-N 3.25Å; R119-L123 WeakPolarHBondContact CD-O 3.48Å; L123-T127 HydrophobicContact CD2-CG2 4.06Å; L123-C128 HydrophobicContact CB-CB 3.96Å; L123-C128 HydrophobicContact CD1-CB 4.38Å; L123-E131 WeakPolarHBondContact CD1-OE2 3.45Å
124N98.3Very high96.4Very high25 Ų2537.5 Ų37.513%0.13419%0.191CC..  trans-67.8169.5170.687.939.5000110.9V126 T127 C128 Y220 H221N124-V126 PolarHBondContact O-N 3.41Å; N124-V126 WeakPolarHBondContact OD1-CA 3.38Å; N124-V126 PolarHBondContact OD1-N 2.9Å; N124-T127 PolarHBondContact ND2-OG1 3.02Å; N124-T127 PolarHBondContact O-N 2.92Å; N124-T127 PolarHBondContact OD1-N 3.39Å; N124-T127 PolarHBondContact OD1-OG1 2.83Å; N124-C128 WeakPolarHBondContact O-CB 3.34Å; N124-C128 PolarHBondContact O-N 2.91Å; N124-Y220 HydrophobicContact CB-CE1 4.28Å; N124-H221 PolarHBondContact ND2-O 2.84Å
125F98.1Very high96.9Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-59.4-41-174.6-178.6-123.6000113.9L24 F28 V114 A116 M129 F148 Y220 Y231 F235L24-F125 HydrophobicContact CD2-CD2 4.48Å; L24-F125 HydrophobicContact CD2-CE2 4.45Å; F28-F125 HydrophobicContact CZ-CB 4.41Å; F28-F125 HydrophobicContact CZ-CD2 4.22Å; V114-F125 HydrophobicContact CB-CZ 4.2Å; V114-F125 HydrophobicContact CG1-CE2 3.64Å; V114-F125 HydrophobicContact CG1-CZ 3.63Å; A116-F125 HydrophobicContact CB-CD2 4.12Å; A116-F125 HydrophobicContact CB-CE2 3.73Å; F125-M129 HydrophobicContact CD1-CE 3.96Å; F125-M129 HydrophobicContact CE1-CE 3.79Å; F125-M129 HydrophobicContact CE2-CE 4.42Å; F125-M129 HydrophobicContact CE2-SD 4.38Å; F125-M129 HydrophobicContact CG-CE 4.37Å; F125-M129 HydrophobicContact CZ-CE 4.03Å; F125-M129 HydrophobicContact CZ-SD 4.16Å; F125-M129 WeakPolarHBondContact O-CE 3.35Å; F125-M129 WeakPolarHBondContact O-CG 3.5Å; F125-M129 PolarHBondContact O-N 3.34Å; F125-F148 HydrophobicContact CD1-CD1 4.28Å; F125-F148 AromaticContact CD1-CD2 3.94Å; F125-F148 HydrophobicContact CD1-CD2 3.94Å; F125-F148 HydrophobicContact CD1-CE1 4.22Å; F125-F148 AromaticContact CD1-CE2 3.87Å; F125-F148 HydrophobicContact CD1-CE2 3.87Å; F125-F148 HydrophobicContact CD1-CG 4.13Å; F125-F148 HydrophobicContact CD1-CZ 4.02Å; F125-F148 HydrophobicContact CE1-CB 4.06Å; F125-F148 HydrophobicContact CE1-CD1 4.11Å; F125-F148 AromaticContact CE1-CD2 3.93Å; F125-F148 HydrophobicContact CE1-CD2 3.93Å; F125-F148 HydrophobicContact CE1-CE2 4.33Å; F125-F148 AromaticContact CE1-CG 3.79Å; F125-F148 HydrophobicContact CE1-CG 3.79Å; F125-Y220 PolarHBondContact N-OH 2.89Å; F125-Y231 HydrophobicContact CB-CD1 4Å; F125-Y231 HydrophobicContact CB-CD2 4.13Å; F125-Y231 HydrophobicContact CB-CE1 3.7Å; F125-Y231 HydrophobicContact CB-CE2 3.84Å; F125-Y231 HydrophobicContact CB-CG 4.19Å; F125-Y231 AromaticContact CD1-CD1 3.65Å; F125-Y231 HydrophobicContact CD1-CD1 3.65Å; F125-Y231 HydrophobicContact CD1-CE1 4.1Å; F125-Y231 AromaticContact CD1-CG 3.95Å; F125-Y231 HydrophobicContact CD1-CG 3.95Å; F125-Y231 HydrophobicContact CD2-CD1 4.42Å; F125-Y231 HydrophobicContact CD2-CD2 4.03Å; F125-Y231 AromaticContact CD2-CG 3.95Å; F125-Y231 HydrophobicContact CD2-CG 3.95Å; F125-Y231 HydrophobicContact CE1-CD1 4.2Å; F125-Y231 HydrophobicContact CE1-CG 4.29Å; F125-Y231 HydrophobicContact CE2-CG 4.31Å; F125-Y231 AromaticContact CG-CD1 3.77Å; F125-Y231 HydrophobicContact CG-CD1 3.77Å; F125-Y231 HydrophobicContact CG-CD2 4.04Å; F125-Y231 HydrophobicContact CG-CE1 4.02Å; F125-Y231 HydrophobicContact CG-CE2 4.28Å; F125-Y231 AromaticContact CG-CG 3.77Å; F125-Y231 HydrophobicContact CG-CG 3.77Å; F125-Y231 HydrophobicContact CZ-CG 4.47Å; F125-F235 HydrophobicContact CE1-CE2 4.25Å; F125-F235 AromaticContact CE1-CZ 3.96Å; F125-F235 HydrophobicContact CE1-CZ 3.96Å; F125-F235 HydrophobicContact CZ-CE2 4.22Å; F125-F235 HydrophobicContact CZ-CZ 4.38Å
126V98.1Very high97Very high1 Ų148 Ų481%0.00624%0.238CC..Hα-helixtrans-78.4-44.2-178.1179.20000111.1N124 C128 M129 R130 F148 P192 F194 E206N124-V126 PolarHBondContact O-N 3.41Å; N124-V126 WeakPolarHBondContact OD1-CA 3.38Å; N124-V126 PolarHBondContact OD1-N 2.9Å; V126-C128 VanDerWaalsContact C-N 3.3Å; V126-C128 PolarHBondContact O-N 3.43Å; V126-M129 HydrophobicContact CG2-CE 4.35Å; V126-M129 PolarHBondContact O-N 3.18Å; V126-M129 VanDerWaalsContact O-N 3.15Å; V126-R130 PolarHBondContact O-N 2.91Å; V126-F148 HydrophobicContact CG2-CE1 3.86Å; V126-F148 HydrophobicContact CG2-CZ 4.13Å; V126-P192 HydrophobicContact CG2-CB 4.16Å; V126-F194 HydrophobicContact CG1-CB 3.99Å; V126-F194 HydrophobicContact CG1-CD1 3.77Å; V126-F194 HydrophobicContact CG1-CE1 4.41Å; V126-F194 HydrophobicContact CG1-CG 3.97Å; V126-E206 HydrophobicContact CG1-CB 4.43Å; V126-E206 HydrophobicContact CG1-CG 4.32Å
127T98.4Very high96.7Very high21 Ų2148.7 Ų48.713%0.12924%0.241CC..Hα-helixtrans-59.1-42.7175.3-48.20000111.4L123 N124 M129 R130 E131 E206L123-T127 HydrophobicContact CD2-CG2 4.06Å; N124-T127 PolarHBondContact ND2-OG1 3.02Å; N124-T127 PolarHBondContact O-N 2.92Å; N124-T127 PolarHBondContact OD1-N 3.39Å; N124-T127 PolarHBondContact OD1-OG1 2.83Å; T127-M129 VanDerWaalsContact C-N 3.32Å; T127-M129 PolarHBondContact O-N 3.5Å; T127-R130 PolarHBondContact O-N 3.3Å; T127-E131 HydrophobicContact CG2-CG 4.1Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.45Å; T127-E131 WeakPolarHBondContact O-CB 3.45Å; T127-E131 WeakPolarHBondContact O-CG 3.16Å; T127-E131 PolarHBondContact O-N 3.44Å; T127-E206 WeakPolarHBondContact CA-OE1 3.37Å; T127-E206 WeakPolarHBondContact CA-OE2 3.43Å; T127-E206 WeakPolarHBondContact CB-OE2 3.23Å; T127-E206 WeakPolarHBondContact CG2-OE1 3.37Å; T127-E206 PolarHBondContact N-OE2 3.18Å; T127-E206 VanDerWaalsContact N-OE2 3.12Å; T127-E206 PolarHBondContact OG1-OE1 3.11Å; T127-E206 PolarHBondContact OG1-OE2 2.93Å
128C98.4Very high96.5Very high2 Ų246.6 Ų46.61%0.01424%0.24CC..Hα-helixtrans-59.6-41.8177.3-172.80000112L24 F28 L123 N124 V126 T132L24-C128 HydrophobicContact CD2-CB 4.3Å; F28-C128 HydrophobicContact CE2-CB 4.21Å; L123-C128 HydrophobicContact CB-CB 3.96Å; L123-C128 HydrophobicContact CD1-CB 4.38Å; N124-C128 WeakPolarHBondContact O-CB 3.34Å; N124-C128 PolarHBondContact O-N 2.91Å; V126-C128 VanDerWaalsContact C-N 3.3Å; V126-C128 PolarHBondContact O-N 3.43Å; C128-T132 WeakPolarHBondContact O-CB 3.19Å; C128-T132 PolarHBondContact O-N 3.05Å; C128-T132 VanDerWaalsContact O-N 3.16Å; C128-T132 PolarHBondContact O-OG1 3.33Å
129M97.8Very high96.4Very high1 Ų147.3 Ų47.31%0.00525%0.253CS..Hα-helixtrans-67.6-46.1174-67.6-175.5-67.600112.1M20 L24 V114 F125 V126 T127 T132 L133 F194 F235M20-M129 HydrophobicContact CE-CB 4.3Å; M20-M129 HydrophobicContact CE-CG 3.84Å; M20-M129 HydrophobicContact CE-SD 3.49Å; M20-M129 WeakPolarHBondContact CE-SD 3.39Å; L24-M129 HydrophobicContact CD1-CG 4.38Å; L24-M129 HydrophobicContact CD2-CG 4.26Å; V114-M129 HydrophobicContact CG1-SD 4.47Å; V114-M129 HydrophobicContact CG2-SD 4.35Å; F125-M129 HydrophobicContact CD1-CE 3.96Å; F125-M129 HydrophobicContact CE1-CE 3.79Å; F125-M129 HydrophobicContact CE2-CE 4.42Å; F125-M129 HydrophobicContact CE2-SD 4.38Å; F125-M129 HydrophobicContact CG-CE 4.37Å; F125-M129 HydrophobicContact CZ-CE 4.03Å; F125-M129 HydrophobicContact CZ-SD 4.16Å; F125-M129 WeakPolarHBondContact O-CE 3.35Å; F125-M129 WeakPolarHBondContact O-CG 3.5Å; F125-M129 PolarHBondContact O-N 3.34Å; V126-M129 HydrophobicContact CG2-CE 4.35Å; V126-M129 PolarHBondContact O-N 3.18Å; V126-M129 VanDerWaalsContact O-N 3.15Å; T127-M129 VanDerWaalsContact C-N 3.32Å; T127-M129 PolarHBondContact O-N 3.5Å; M129-T132 PolarHBondContact O-N 2.97Å; M129-L133 WeakPolarHBondContact O-CG 3.3Å; M129-L133 PolarHBondContact O-N 3.13Å; M129-L133 VanDerWaalsContact O-N 3.14Å; M129-F194 HydrophobicContact CB-CE2 3.8Å; M129-F194 HydrophobicContact CB-CZ 3.8Å; M129-F194 HydrophobicContact CE-CE1 4.06Å; M129-F194 HydrophobicContact CE-CZ 3.99Å; M129-F194 HydrophobicContact SD-CZ 4.23Å; M129-F235 HydrophobicContact CE-CE1 4.07Å; M129-F235 HydrophobicContact CE-CE2 4.07Å; M129-F235 HydrophobicContact CE-CZ 3.6Å; M129-F235 HydrophobicContact SD-CD2 4.4Å; M129-F235 HydrophobicContact SD-CE2 3.89Å; M129-F235 HydrophobicContact SD-CZ 4.05Å
130R98.4Very high96.2Very high21 Ų2150.1 Ų50.18%0.07927%0.266CS..Hα-helixtrans-60.1-52.3-179.9-171.6-164.45974.53.7111.9V126 T127 T132 L133 E134 F194 V195 S196 E206V126-R130 PolarHBondContact O-N 2.91Å; T127-R130 PolarHBondContact O-N 3.3Å; R130-T132 VanDerWaalsContact C-N 3.32Å; R130-T132 PolarHBondContact O-N 2.99Å; R130-L133 PolarHBondContact O-N 3.49Å; R130-E134 IonicContact NH1-OE2 3.89Å; R130-E134 PolarHBondContact NH1-OE2 3.02Å; R130-E134 PolarHBondContact O-N 3.01Å; R130-F194 HydrophobicContact CB-CD2 3.86Å; R130-F194 HydrophobicContact CG-CD2 4.31Å; R130-V195 WeakPolarHBondContact CD-O 3.49Å; R130-V195 WeakPolarHBondContact CG-O 3.45Å; R130-S196 PolarHBondContact NH1-O 2.9Å; R130-E206 HydrophobicContact CB-CG 4.36Å; R130-E206 HydrophobicContact CG-CG 4.48Å; R130-E206 IonicContact CZ-OE1 2.75Å; R130-E206 IonicContact NE-OE1 3.23Å; R130-E206 PolarHBondContact NE-OE1 2.81Å; R130-E206 IonicContact NH2-OE1 2.72Å
131E98.2Very high96.1Very high73 Ų7346.1 Ų46.134%0.34124%0.242SC..Hα-helixtrans-66.3-34.1-178.1-70.6-171.7-175.800112.3L123 T127 E134 K135L123-E131 WeakPolarHBondContact CD1-OE2 3.45Å; T127-E131 HydrophobicContact CG2-CG 4.1Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.45Å; T127-E131 WeakPolarHBondContact O-CB 3.45Å; T127-E131 WeakPolarHBondContact O-CG 3.16Å; T127-E131 PolarHBondContact O-N 3.44Å; E131-E134 PolarHBondContact O-N 3.43Å; E131-K135 WeakPolarHBondContact O-CB 3.48Å; E131-K135 PolarHBondContact O-N 2.98Å
132T96.8Very high95.9Very high19 Ų1945.5 Ų45.512%0.11724%0.235CC..Hα-helixtrans-60-46.2172.9-66.10000111.3V19 G23 C128 M129 R130 H136V19-T132 HydrophobicContact CG1-CG2 4.09Å; V19-T132 VanDerWaalsContact O-CG2 3.32Å; V19-T132 WeakPolarHBondContact O-CG2 3.43Å; G23-T132 WeakPolarHBondContact CA-OG1 3.25Å; C128-T132 WeakPolarHBondContact O-CB 3.19Å; C128-T132 PolarHBondContact O-N 3.05Å; C128-T132 VanDerWaalsContact O-N 3.16Å; C128-T132 PolarHBondContact O-OG1 3.33Å; M129-T132 PolarHBondContact O-N 2.97Å; R130-T132 VanDerWaalsContact C-N 3.32Å; R130-T132 PolarHBondContact O-N 2.99Å; T132-H136 WeakPolarHBondContact O-CB 3.27Å; T132-H136 PolarHBondContact O-N 3.33Å
133L93.4Very high95.7Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-66.8-42.2176.6-65.9173.5000111.4L16 V19 M20 M129 R130 H136 Y137 I142 M144 F194L16-L133 HydrophobicContact CD2-CD2 3.87Å; V19-L133 HydrophobicContact CG1-CD2 4.34Å; M20-L133 HydrophobicContact CG-CD2 4.15Å; M129-L133 WeakPolarHBondContact O-CG 3.3Å; M129-L133 PolarHBondContact O-N 3.13Å; M129-L133 VanDerWaalsContact O-N 3.14Å; R130-L133 PolarHBondContact O-N 3.49Å; L133-H136 PolarHBondContact O-N 3.39Å; L133-Y137 HydrophobicContact CD2-CD2 4.2Å; L133-Y137 HydrophobicContact CD2-CE2 3.86Å; L133-Y137 WeakPolarHBondContact O-CB 3.16Å; L133-Y137 WeakPolarHBondContact O-CD2 3.33Å; L133-Y137 PolarHBondContact O-N 3.38Å; L133-I142 HydrophobicContact CD1-CG2 4.26Å; L133-I142 HydrophobicContact CD2-CD1 4.41Å; L133-M144 HydrophobicContact CD1-CG 3.59Å; L133-M144 HydrophobicContact CD1-SD 4.29Å; L133-F194 HydrophobicContact CD1-CE2 4.04Å
134E97.8Very high95.3Very high46 Ų4637.9 Ų37.922%0.21519%0.188CC..Hα-helixtrans-61.4-48.6177.7-171.7176.3-169.300111.8R130 E131 H136 G138 S196 R197R130-E134 IonicContact NH1-OE2 3.89Å; R130-E134 PolarHBondContact NH1-OE2 3.02Å; R130-E134 PolarHBondContact O-N 3.01Å; E131-E134 PolarHBondContact O-N 3.43Å; E134-H136 PolarHBondContact O-N 2.85Å; E134-G138 WeakPolarHBondContact O-CA 3.18Å; E134-G138 PolarHBondContact O-N 3.46Å; E134-S196 WeakPolarHBondContact CB-O 3.48Å; E134-R197 HydrophobicContact CG-CB 4.38Å; E134-R197 IonicContact OE1-CZ 2.88Å; E134-R197 VanDerWaalsContact OE1-CZ 3.23Å; E134-R197 IonicContact OE1-NE 2.77Å; E134-R197 PolarHBondContact OE1-NE 2.99Å; E134-R197 IonicContact OE1-NH2 2.7Å; E134-R197 PolarHBondContact OE1-NH2 3.38Å
135K96.6Very high94.8Very high179 Ų17937.6 Ų37.678%0.77819%0.191SC*.Hα-helixtrans-62.1-30.4-179.6-175.4178179.5-177.70112.9E131E131-K135 WeakPolarHBondContact O-CB 3.48Å; E131-K135 PolarHBondContact O-N 2.98Å
136H93.3Very high94.3Very high110 Ų11038 Ų3851%0.50920%0.195SC..Hα-helixtrans-84.4-49.1178.2-169.485.5000112.9V19 T132 L133 E134V19-H136 HydrophobicContact CG1-CB 3.59Å; T132-H136 WeakPolarHBondContact O-CB 3.27Å; T132-H136 PolarHBondContact O-N 3.33Å; L133-H136 PolarHBondContact O-N 3.39Å; E134-H136 PolarHBondContact O-N 2.85Å
137Y88.8Confident94Very high15 Ų1537.9 Ų37.96%0.05920%0.195CC..Hα-helixtrans-94.6-13.1-169.5-67.2-82000114.1P11 E15 L16 V19 L133 N139 K140 I142P11-Y137 HydrophobicContact CB-CE1 4.14Å; P11-Y137 HydrophobicContact CG-CD1 4.29Å; P11-Y137 HydrophobicContact CG-CE1 3.45Å; P11-Y137 VanDerWaalsContact CG-CE1 3.45Å; E15-Y137 WeakPolarHBondContact OE1-CE1 3.45Å; E15-Y137 PolarHBondContact OE1-OH 3.07Å; L16-Y137 HydrophobicContact CD2-CE2 4.14Å; V19-Y137 HydrophobicContact CB-CE2 4.4Å; V19-Y137 HydrophobicContact CG1-CE2 4Å; V19-Y137 HydrophobicContact CG2-CE2 4.25Å; L133-Y137 HydrophobicContact CD2-CD2 4.2Å; L133-Y137 HydrophobicContact CD2-CE2 3.86Å; L133-Y137 WeakPolarHBondContact O-CB 3.16Å; L133-Y137 WeakPolarHBondContact O-CD2 3.33Å; L133-Y137 PolarHBondContact O-N 3.38Å; Y137-N139 PolarHBondContact O-N 2.58Å; Y137-K140 PolarHBondContact O-N 3.12Å; Y137-I142 HydrophobicContact CD1-CD1 3.89Å; Y137-I142 HydrophobicContact CD2-CD1 3.25Å; Y137-I142 HydrophobicContact CD2-CG1 4.44Å; Y137-I142 HydrophobicContact CE1-CD1 4.1Å; Y137-I142 HydrophobicContact CE2-CD1 3.49Å; Y137-I142 VanDerWaalsContact CE2-CD1 3.49Å; Y137-I142 HydrophobicContact CG-CD1 3.46Å; Y137-I142 VanDerWaalsContact CG-CD1 3.46Å; Y137-I142 HydrophobicContact CG-CG1 4.4Å
138G94.4Very high93.9Very high28 Ų2836.9 Ų36.929%0.28919%0.189SC..THydrogen-bonded Turntrans59.8-104.7167.600000114E134 K140E134-G138 WeakPolarHBondContact O-CA 3.18Å; E134-G138 PolarHBondContact O-N 3.46Å; G138-K140 VanDerWaalsContact C-N 3.31Å
139N93.4Very high93.7Very high139 Ų13937.4 Ų37.474%0.74319%0.191SC*.THydrogen-bonded Turntrans-83.9-0.8-179.770.7-31.3000114.1Y137 P141Y137-N139 PolarHBondContact O-N 2.58Å; N139-P141 WeakPolarHBondContact O-CD 3.21Å
140K93.4Very high93.7Very high99 Ų9937.4 Ų37.443%0.4319%0.191SC..SBendtrans-99.9100.1175-55.2-175.3-168.5171.10109.3H9 Y137 G138H9-K140 HydrophobicContact CB-CB 4.01Å; H9-K140 HydrophobicContact CB-CD 4.46Å; H9-K140 WeakPolarHBondContact CD2-CD 3.33Å; H9-K140 PolarHBondContact NE2-NZ 3.27Å; Y137-K140 PolarHBondContact O-N 3.12Å; G138-K140 VanDerWaalsContact C-N 3.31Å
141P94.6Very high93.6Very high15 Ų1540 Ų4010%0.09720%0.204CC..  trans-68.9142.9-178.529.9-36000110.9F6 F8 N139 R197 P199F6-P141 HydrophobicContact CE1-CG 3.85Å; F6-P141 HydrophobicContact CZ-CG 3.85Å; F8-P141 HydrophobicContact CD1-CB 4.27Å; F8-P141 HydrophobicContact CD1-CG 4.26Å; F8-P141 WeakPolarHBondContact CD1-O 3.45Å; F8-P141 HydrophobicContact CE1-CB 4.22Å; N139-P141 WeakPolarHBondContact O-CD 3.21Å; P141-R197 WeakPolarHBondContact CB-O 3.47Å; P141-P199 HydrophobicContact CB-CG 4.22Å; P141-P199 HydrophobicContact CG-CB 4.3Å; P141-P199 HydrophobicContact CG-CG 3.97Å
142I90.9Very high93.6Very high1 Ų141.7 Ų41.71%0.00521%0.21CC..  trans-127.1119.1177.3-59.6-175.6000107.9P11 L16 L133 Y137 M144 V195 S196P11-I142 HydrophobicContact CG-CD1 4.04Å; L16-I142 HydrophobicContact CD2-CD1 4.03Å; L133-I142 HydrophobicContact CD1-CG2 4.26Å; L133-I142 HydrophobicContact CD2-CD1 4.41Å; Y137-I142 HydrophobicContact CD1-CD1 3.89Å; Y137-I142 HydrophobicContact CD2-CD1 3.25Å; Y137-I142 HydrophobicContact CD2-CG1 4.44Å; Y137-I142 HydrophobicContact CE1-CD1 4.1Å; Y137-I142 HydrophobicContact CE2-CD1 3.49Å; Y137-I142 VanDerWaalsContact CE2-CD1 3.49Å; Y137-I142 HydrophobicContact CG-CD1 3.46Å; Y137-I142 VanDerWaalsContact CG-CD1 3.46Å; Y137-I142 HydrophobicContact CG-CG1 4.4Å; I142-M144 HydrophobicContact CG2-CG 4.11Å; I142-M144 HydrophobicContact CG2-SD 3.98Å; I142-V195 CarbonylContact O-C 3.39Å; I142-V195 WeakPolarHBondContact O-CA 3.43Å; I142-S196 PolarHBondContact N-OG 3.5Å; I142-S196 PolarHBondContact O-N 3.03Å
143G91.9Very high93.6Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-87.8137.7166.500000110.9P237 A238G143-P237 CarbonylContact O-C 3.37Å; G143-P237 WeakPolarHBondContact O-CA 3.34Å; G143-A238 PolarHBondContact O-N 3.47Å
144M91.2Very high93.9Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-130.1148.3176.9-65.2-66.3-64.300110.3M20 I112 L133 I142 F194 F235 L236 P237M20-M144 HydrophobicContact SD-CE 4.42Å; I112-M144 HydrophobicContact CD1-CE 4.35Å; L133-M144 HydrophobicContact CD1-CG 3.59Å; L133-M144 HydrophobicContact CD1-SD 4.29Å; I142-M144 HydrophobicContact CG2-CG 4.11Å; I142-M144 HydrophobicContact CG2-SD 3.98Å; M144-F194 HydrophobicContact CB-CD1 4.1Å; M144-F194 HydrophobicContact CB-CD2 3.93Å; M144-F194 HydrophobicContact CB-CE1 3.69Å; M144-F194 HydrophobicContact CB-CE2 3.52Å; M144-F194 HydrophobicContact CB-CG 4.22Å; M144-F194 HydrophobicContact CB-CZ 3.39Å; M144-F194 HydrophobicContact CG-CD2 4.31Å; M144-F194 HydrophobicContact CG-CE2 3.67Å; M144-F194 HydrophobicContact CG-CZ 3.85Å; M144-F194 PolarHBondContact N-O 2.86Å; M144-F194 PolarHBondContact O-N 3.3Å; M144-F235 HydrophobicContact CE-CB 3.89Å; M144-L236 WeakPolarHBondContact CA-O 3.38Å; M144-P237 VanDerWaalsContact SD-CA 3.54Å; M144-P237 HydrophobicContact SD-CB 3.94Å
145G87.3Confident93.9Very high19 Ų1943.1 Ų43.120%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-155173.8172.500000111.9F235 L236G145-F235 WeakPolarHBondContact O-CA 3.49Å; G145-L236 PolarHBondContact N-O 3.01Å; G145-L236 VanDerWaalsContact N-O 3.12Å; G145-L236 PolarHBondContact O-N 2.86Å
146G87.4Confident94Very high8 Ų837.4 Ų37.48%0.08219%0.193CC..EExtended strand (participates in β ladder)trans153.2-139.617900000112Y234G146-Y234 WeakPolarHBondContact CA-O 3.42Å
147T91.9Very high94.2Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-147.4151.6173.9-177.60000110.7F46 F48 C190 G233 Y234F46-T147 HydrophobicContact CD1-CG2 3.67Å; F46-T147 HydrophobicContact CE1-CG2 3.51Å; F46-T147 HydrophobicContact CZ-CG2 4.39Å; F48-T147 HydrophobicContact CE2-CG2 3.83Å; F48-T147 HydrophobicContact CZ-CG2 4.08Å; T147-C190 VanDerWaalsContact CA-O 3.25Å; T147-C190 WeakPolarHBondContact CA-O 3.36Å; T147-C190 WeakPolarHBondContact CB-O 3.41Å; T147-C190 PolarHBondContact OG1-O 3.32Å; T147-G233 WeakPolarHBondContact O-CA 3.41Å; T147-Y234 PolarHBondContact N-O 3.44Å; T147-Y234 PolarHBondContact O-N 3.02Å
148F95.6Very high94.5Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-139.4156.4168.468.5-88.5000112.2F125 V126 I150 C190 P192 T208 Y231 L232 F235F125-F148 HydrophobicContact CD1-CD1 4.28Å; F125-F148 AromaticContact CD1-CD2 3.94Å; F125-F148 HydrophobicContact CD1-CD2 3.94Å; F125-F148 HydrophobicContact CD1-CE1 4.22Å; F125-F148 AromaticContact CD1-CE2 3.87Å; F125-F148 HydrophobicContact CD1-CE2 3.87Å; F125-F148 HydrophobicContact CD1-CG 4.13Å; F125-F148 HydrophobicContact CD1-CZ 4.02Å; F125-F148 HydrophobicContact CE1-CB 4.06Å; F125-F148 HydrophobicContact CE1-CD1 4.11Å; F125-F148 AromaticContact CE1-CD2 3.93Å; F125-F148 HydrophobicContact CE1-CD2 3.93Å; F125-F148 HydrophobicContact CE1-CE2 4.33Å; F125-F148 AromaticContact CE1-CG 3.79Å; F125-F148 HydrophobicContact CE1-CG 3.79Å; V126-F148 HydrophobicContact CG2-CE1 3.86Å; V126-F148 HydrophobicContact CG2-CZ 4.13Å; F148-I150 HydrophobicContact CD2-CG1 4.01Å; F148-I150 HydrophobicContact CE2-CD1 3.99Å; F148-I150 HydrophobicContact CE2-CG1 3.62Å; F148-C190 HydrophobicContact CD1-CB 3.67Å; F148-C190 HydrophobicContact CD2-CB 3.82Å; F148-C190 HydrophobicContact CE1-CB 3.42Å; F148-C190 VanDerWaalsContact CE1-CB 3.42Å; F148-C190 HydrophobicContact CE2-CB 3.59Å; F148-C190 WeakPolarHBondContact CE2-SG 3.41Å; F148-C190 HydrophobicContact CG-CB 3.88Å; F148-C190 HydrophobicContact CZ-CB 3.38Å; F148-C190 PolarHBondContact N-O 2.72Å; F148-C190 WeakPolarHBondContact O-CA 3.16Å; F148-C190 WeakPolarHBondContact O-CB 3.27Å; F148-C190 PolarHBondContact O-N 3.08Å; F148-P192 HydrophobicContact CD1-CB 4.48Å; F148-P192 HydrophobicContact CD1-CG 3.68Å; F148-P192 HydrophobicContact CE1-CB 4.05Å; F148-P192 HydrophobicContact CE1-CG 3.74Å; F148-T208 HydrophobicContact CE1-CG2 3.84Å; F148-T208 HydrophobicContact CZ-CG2 3.95Å; F148-Y231 AromaticContact CD2-CD1 3.81Å; F148-Y231 HydrophobicContact CD2-CD1 3.81Å; F148-Y231 HydrophobicContact CD2-CE1 4.41Å; F148-Y231 AromaticContact CE2-CD1 3.69Å; F148-Y231 HydrophobicContact CE2-CD1 3.69Å; F148-Y231 AromaticContact CE2-CE1 3.82Å; F148-Y231 HydrophobicContact CE2-CE1 3.82Å; F148-L232 CarbonylContact C-O 3.38Å; F148-L232 VanDerWaalsContact CA-O 3.24Å; F148-L232 WeakPolarHBondContact CA-O 3.38Å; F148-L232 WeakPolarHBondContact CB-O 3.25Å; F148-F235 HydrophobicContact CB-CZ 4.12Å; F148-F235 HydrophobicContact CD1-CE1 4.45Å; F148-F235 HydrophobicContact CD1-CZ 4.07Å; F148-F235 HydrophobicContact CG-CZ 4.47Å
149I93.9Very high94Very high13 Ų1334.4 Ų34.47%0.06717%0.174CC..EExtended strand (participates in β ladder)trans-106.2127.8174.5-53146.3000107.5P45 F46 Q151 L188 Y231 L232P45-I149 HydrophobicContact CG-CD1 3.36Å; P45-I149 HydrophobicContact CG-CG1 3.75Å; F46-I149 HydrophobicContact CE1-CD1 3.86Å; F46-I149 HydrophobicContact CE1-CG1 3.84Å; F46-I149 HydrophobicContact CE2-CD1 4.32Å; F46-I149 HydrophobicContact CZ-CD1 3.55Å; F46-I149 HydrophobicContact CZ-CG1 4.08Å; I149-Q151 HydrophobicContact CB-CG 4.19Å; I149-Q151 HydrophobicContact CG2-CG 3.93Å; I149-Q151 PolarHBondContact O-N 3.26Å; I149-L188 CarbonylContact C-O 3.38Å; I149-L188 VanDerWaalsContact CA-O 3.29Å; I149-L188 WeakPolarHBondContact CA-O 3.24Å; I149-Y231 WeakPolarHBondContact O-CA 3.43Å; I149-L232 HydrophobicContact CD1-CD2 4.3Å; I149-L232 PolarHBondContact N-O 3.47Å; I149-L232 PolarHBondContact O-N 2.95Å
150I98.4Very high93.2Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-82.799.1160.9-51.7-173.6000105.4F148 K152 V155 A186 P187 L188 Y220 V229 E230 Y231F148-I150 HydrophobicContact CD2-CG1 4.01Å; F148-I150 HydrophobicContact CE2-CD1 3.99Å; F148-I150 HydrophobicContact CE2-CG1 3.62Å; I150-K152 WeakPolarHBondContact CG2-O 3.38Å; I150-V155 HydrophobicContact CD1-CG1 3.39Å; I150-A186 HydrophobicContact CG2-CB 4.32Å; I150-A186 VanDerWaalsContact O-CB 3.29Å; I150-A186 WeakPolarHBondContact O-CB 3.38Å; I150-P187 VanDerWaalsContact O-CA 3.29Å; I150-P187 WeakPolarHBondContact O-CA 3.34Å; I150-L188 HydrophobicContact CB-CB 4.25Å; I150-L188 HydrophobicContact CD1-CD1 4.35Å; I150-L188 HydrophobicContact CG1-CB 4.48Å; I150-L188 PolarHBondContact N-O 3.16Å; I150-L188 PolarHBondContact O-N 3.41Å; I150-Y220 HydrophobicContact CD1-CD2 4.15Å; I150-Y220 HydrophobicContact CD1-CE2 4.02Å; I150-V229 HydrophobicContact CG2-CG2 4.19Å; I150-E230 CarbonylContact C-O 3.6Å; I150-Y231 HydrophobicContact CD1-CD1 4.48Å; I150-Y231 HydrophobicContact CD1-CE1 3.84Å; I150-Y231 HydrophobicContact CG1-CD1 3.88Å; I150-Y231 HydrophobicContact CG1-CE1 3.74Å; I150-Y231 HydrophobicContact CG2-CE1 4.44Å
151Q96.3Very high92.4Very high76 Ų7628.6 Ų28.636%0.35515%0.147SC..EExtended strand (participates in β ladder)trans-77.7-31.8-172.5-56.8-173.2-59.400112I149 E230 L232I149-Q151 HydrophobicContact CB-CG 4.19Å; I149-Q151 HydrophobicContact CG2-CG 3.93Å; I149-Q151 PolarHBondContact O-N 3.26Å; Q151-E230 HydrophobicContact CB-CB 4.1Å; Q151-E230 PolarHBondContact N-O 2.96Å; Q151-L232 HydrophobicContact CG-CB 4.08Å
152K97.6Very high91Very high108 Ų10832.5 Ų32.547%0.4718%0.18SC..EExtended strand (participates in β ladder)trans-144.7160.3175.3-63.6-170.7-165.1157.90111.2I150 A186 I228 V229 E230I150-K152 WeakPolarHBondContact CG2-O 3.38Å; K152-A186 VanDerWaalsContact CA-CB 3.45Å; K152-I228 WeakPolarHBondContact CB-O 3.24Å; K152-V229 WeakPolarHBondContact O-CA 3.35Å; K152-V229 WeakPolarHBondContact O-CG2 3.47Å; K152-E230 HydrophobicContact CB-CB 4.1Å; K152-E230 HydrophobicContact CB-CG 4.07Å; K152-E230 HydrophobicContact CD-CG 4.13Å; K152-E230 WeakPolarHBondContact CD-OE1 3.44Å; K152-E230 VanDerWaalsContact CE-OE1 3.23Å; K152-E230 WeakPolarHBondContact CE-OE1 3.45Å; K152-E230 HydrophobicContact CG-CB 4.39Å; K152-E230 HydrophobicContact CG-CG 4.24Å; K152-E230 IonicContact NZ-OE1 2.78Å; K152-E230 PolarHBondContact NZ-OE1 3.11Å; K152-E230 IonicContact NZ-OE2 3.21Å; K152-E230 PolarHBondContact O-N 3.16Å
153G98.4Very high90Very high12 Ų1239.7 Ų39.712%0.12421%0.214CC..SBendtrans95.9-167.4178.700000113.3A186 T225G153-A186 WeakPolarHBondContact O-CB 3.44Å; G153-A186 PolarHBondContact O-N 2.59Å; G153-T225 WeakPolarHBondContact CA-OG1 3.49Å
154K98.8Very high89.2Confident84 Ų8444 Ų4437%0.36523%0.233SC..EExtended strand (participates in β ladder)trans-132.7161.5178.2-56.1-177.1-173.81730111.3E183 M184 K185 D223 T224 T225K154-E183 HydrophobicContact CB-CG 3.94Å; K154-E183 HydrophobicContact CD-CG 3.74Å; K154-E183 WeakPolarHBondContact CD-OE2 3.23Å; K154-E183 WeakPolarHBondContact CE-OE2 3.39Å; K154-E183 IonicContact NZ-OE1 3.95Å; K154-E183 IonicContact NZ-OE2 2.69Å; K154-E183 PolarHBondContact NZ-OE2 3.49Å; K154-M184 CarbonylContact C-O 3.57Å; K154-M184 WeakPolarHBondContact CA-O 3.46Å; K154-M184 WeakPolarHBondContact CB-O 3.43Å; K154-K185 HydrophobicContact CG-CB 4.29Å; K154-D223 CarbonylContact O-C 3.54Å; K154-D223 WeakPolarHBondContact O-CA 3.34Å; K154-D223 WeakPolarHBondContact O-CB 3.45Å; K154-T224 WeakPolarHBondContact CB-OG1 3.47Å; K154-T224 PolarHBondContact O-N 3.45Å; K154-T225 HydrophobicContact CB-CG2 4Å; K154-T225 HydrophobicContact CD-CG2 4.2Å; K154-T225 HydrophobicContact CG-CG2 4.01Å; K154-T225 PolarHBondContact N-OG1 2.95Å
155V98.8Very high88.5Confident0 Ų045.2 Ų45.20%024%0.241CC..EExtended strand (participates in β ladder)trans-130.4145.2178.6-59.50000112.5I150 E183 M184 L188 F210 Y220 Y222I150-V155 HydrophobicContact CD1-CG1 3.39Å; V155-E183 CarbonylContact O-C 3.52Å; V155-E183 VanDerWaalsContact O-CA 3.31Å; V155-E183 WeakPolarHBondContact O-CA 3.19Å; V155-M184 HydrophobicContact CG2-CB 4.11Å; V155-M184 PolarHBondContact N-O 3.48Å; V155-M184 PolarHBondContact O-N 2.85Å; V155-L188 HydrophobicContact CG1-CD1 4.43Å; V155-L188 HydrophobicContact CG2-CD1 3.55Å; V155-F210 HydrophobicContact CG2-CE1 4.29Å; V155-F210 HydrophobicContact CG2-CZ 4.07Å; V155-Y220 HydrophobicContact CB-CD2 4.13Å; V155-Y220 HydrophobicContact CB-CE2 4.35Å; V155-Y220 HydrophobicContact CG1-CD2 3.86Å; V155-Y220 HydrophobicContact CG1-CE2 3.75Å; V155-Y222 CarbonylContact C-O 3.56Å; V155-Y222 VanDerWaalsContact CA-O 3.25Å; V155-Y222 WeakPolarHBondContact CA-O 3.35Å; V155-Y222 WeakPolarHBondContact CB-O 3.49Å
156K98.7Very high88.2Confident59 Ų5950.2 Ų50.226%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-72134.8155.9-176.5-174.2178-164.40107.9F181 H221 Y222 T224K156-F181 HydrophobicContact CD-CD1 4.38Å; K156-F181 VanDerWaalsContact CE-CE1 3.46Å; K156-F181 HydrophobicContact CG-CD1 4.2Å; K156-H221 HydrophobicContact CB-CB 4.17Å; K156-H221 HydrophobicContact CD-CB 4.15Å; K156-H221 HydrophobicContact CG-CB 4.16Å; K156-H221 PolarHBondContact O-N 2.93Å; K156-Y222 HydrophobicContact CB-CD2 4.08Å; K156-Y222 HydrophobicContact CB-CE2 3.86Å; K156-Y222 HydrophobicContact CD-CE1 3.83Å; K156-Y222 HydrophobicContact CD-CE2 3.82Å; K156-Y222 WeakPolarHBondContact CD-OH 3.4Å; K156-Y222 PolarHBondContact N-O 3.4Å; K156-Y222 PolarHBondContact NZ-OH 2.97Å; K156-T224 HydrophobicContact CB-CG2 4.04Å
157S96.4Very high88Confident0 Ų053.1 Ų53.10%029%0.292CS..EExtended strand (participates in β ladder)trans-145.3167.3179.4580000110.8F181 Y182 M184 H219S157-F181 CarbonylContact O-C 3.59Å; S157-F181 WeakPolarHBondContact O-CA 3.11Å; S157-F181 WeakPolarHBondContact O-CD1 3.02Å; S157-Y182 PolarHBondContact N-O 2.93Å; S157-Y182 PolarHBondContact O-N 3.34Å; S157-Y182 PolarHBondContact OG-O 3.14Å; S157-Y182 VanDerWaalsContact OG-O 3.06Å; S157-M184 WeakPolarHBondContact OG-CG 3.48Å; S157-H219 CarbonylContact C-O 3.48Å; S157-H219 WeakPolarHBondContact CA-O 3.45Å; S157-H219 WeakPolarHBondContact CB-O 3.18Å
158H95.6Very high87.7Confident18 Ų1856 Ų568%0.08331%0.31CS..EExtended strand (participates in β ladder)trans-133.6157.4167.775.4-112.1000112.9L179 H180 F181 H219 H221H158-L179 HydrophobicContact CB-CB 4.35Å; H158-H180 CarbonylContact C-O 3.56Å; H158-H180 WeakPolarHBondContact CA-O 3.34Å; H158-H180 WeakPolarHBondContact CB-O 3.37Å; H158-F181 HydrophobicContact CB-CD1 3.9Å; H158-F181 HydrophobicContact CB-CE1 3.86Å; H158-F181 HydrophobicContact CB-CG 4.38Å; H158-F181 HydrophobicContact CB-CZ 4.29Å; H158-H219 VanDerWaalsContact CE1-CB 3.4Å; H158-H219 WeakPolarHBondContact CE1-CB 3.41Å; H158-H219 AromaticContact CE1-CD2 3.57Å; H158-H219 AromaticContact CE1-CG 3.29Å; H158-H219 AromaticContact CE1-ND1 3.79Å; H158-H219 PolarHBondContact N-O 3.16Å; H158-H219 AromaticContact ND1-CD2 3.93Å; H158-H219 AromaticContact ND1-CG 3.86Å; H158-H219 WeakPolarHBondContact NE2-CB 3.36Å; H158-H219 AromaticContact NE2-CG 3.64Å; H158-H219 AromaticContact NE2-ND1 3.98Å; H158-H219 PolarHBondContact O-N 2.81Å; H158-H221 AromaticContact ND1-CD2 3.67Å
159I84.9Confident87.2Confident72 Ų7256.8 Ų56.837%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-127.9140.4164.3-50.1175.4000106.9H180 Y182 M184 G217I159-H180 PolarHBondContact N-O 3.32Å; I159-H180 WeakPolarHBondContact O-CB 3.36Å; I159-H180 PolarHBondContact O-N 3.09Å; I159-Y182 HydrophobicContact CB-CE2 3.92Å; I159-Y182 HydrophobicContact CD1-CD2 4.28Å; I159-Y182 HydrophobicContact CD1-CE2 3.88Å; I159-Y182 HydrophobicContact CG1-CD2 4.06Å; I159-Y182 HydrophobicContact CG1-CE2 3.78Å; I159-M184 HydrophobicContact CD1-CE 3.99Å; I159-M184 HydrophobicContact CG1-CE 4.41Å; I159-G217 WeakPolarHBondContact CD1-O 3.49Å
160M76.4Confident87.1Confident87 Ų8760.9 Ų60.943%0.42934%0.337SS..  trans-68.3144.6171.3-64.6-174.7-65.400110.7L68 W178 L179L68-M160 HydrophobicContact CD1-SD 4.41Å; L68-M160 HydrophobicContact CD2-CE 4.46Å; L68-M160 HydrophobicContact CD2-SD 3.75Å; M160-W178 HydrophobicContact CB-CH2 3.67Å; M160-W178 HydrophobicContact CB-CZ2 4.42Å; M160-W178 HydrophobicContact CB-CZ3 4.05Å; M160-W178 HydrophobicContact CG-CH2 3.75Å; M160-W178 HydrophobicContact CG-CZ3 3.73Å; M160-W178 HydrophobicContact SD-CH2 3.8Å; M160-W178 HydrophobicContact SD-CZ3 3.98Å; M160-L179 HydrophobicContact CB-CD2 4.44Å; M160-L179 HydrophobicContact CG-CD2 3.71Å
161P75.9Confident86.9Confident28 Ų2862.5 Ų62.518%0.18235%0.348CS..  trans-51.9155.3165.9-27.335.1000112.9E163 W178P161-E163 PolarHBondContact O-N 3.45Å; P161-W178 HydrophobicContact CB-CZ2 4.36Å; P161-W178 VanDerWaalsContact CD-O 3.27Å; P161-W178 WeakPolarHBondContact CD-O 3.45Å; P161-W178 HydrophobicContact CG-CD2 4.14Å; P161-W178 HydrophobicContact CG-CG 4.28Å; P161-W178 HydrophobicContact CG-CZ2 4.18Å; P161-W178 WeakPolarHBondContact CG-O 3.18Å
162A65.3Low86.7Confident97 Ų9761.9 Ų61.980%0.80235%0.347SS*.SBendtrans-63.4-30.2178.500000113
163E70.5Confident86.7Confident152 Ų15262.6 Ų62.671%0.7135%0.352SS*.SBendtrans-111.8141.1178.9-58.4-58.4151.200110.8P161P161-E163 PolarHBondContact O-N 3.45Å
164F73.9Confident86.4Confident90 Ų9065.4 Ų65.440%0.39536%0.362SS..  trans-72.2154.2176.5-57.5-71.6000111.9L68 V72 S166 W178L68-F164 HydrophobicContact CD1-CD1 3.98Å; L68-F164 HydrophobicContact CD1-CE1 3.44Å; L68-F164 VanDerWaalsContact CD1-CE1 3.44Å; L68-F164 HydrophobicContact CD1-CZ 4.35Å; V72-F164 HydrophobicContact CB-CD1 4.25Å; V72-F164 HydrophobicContact CB-CD2 4.18Å; V72-F164 HydrophobicContact CB-CE1 4.35Å; V72-F164 HydrophobicContact CB-CE2 4.25Å; V72-F164 HydrophobicContact CB-CG 4.17Å; V72-F164 HydrophobicContact CB-CZ 4.34Å; V72-F164 HydrophobicContact CG1-CB 4.35Å; V72-F164 HydrophobicContact CG1-CD1 4.37Å; V72-F164 HydrophobicContact CG1-CD2 3.48Å; V72-F164 VanDerWaalsContact CG1-CD2 3.48Å; V72-F164 HydrophobicContact CG1-CE2 3.79Å; V72-F164 HydrophobicContact CG1-CG 3.79Å; V72-F164 HydrophobicContact CG1-CZ 4.37Å; V72-F164 HydrophobicContact CG2-CE1 4.34Å; V72-F164 HydrophobicContact CG2-CE2 4.18Å; V72-F164 HydrophobicContact CG2-CZ 4.04Å; F164-S166 PolarHBondContact O-N 3.23Å; F164-W178 HydrophobicContact CD1-CH2 4.48Å; F164-W178 HydrophobicContact CD1-CZ2 4.35Å
165S76.4Confident86Confident26 Ų2661.8 Ų61.818%0.18235%0.347CS..  trans-58.9136.1175.7-1760000111.7C167S165-C167 VanDerWaalsContact C-N 3.26Å; S165-C167 WeakPolarHBondContact CB-O 3.35Å; S165-C167 PolarHBondContact O-N 3.31Å; S165-C167 PolarHBondContact OG-N 3.41Å; S165-C167 PolarHBondContact OG-O 3.25Å; S165-C167 PolarHBondContact OG-SG 2.86Å
166S81.2Confident85.7Confident124 Ų12464.4 Ų64.487%0.86736%0.361SS*.SBendtrans-77.6-10.5173.657.20000113.5F164F164-S166 PolarHBondContact O-N 3.23Å
167C82.7Confident85.4Confident69 Ų6968.9 Ų68.947%0.46638%0.38SS..SBendtrans-126.7152.6175.956.70000111.2S165 L169S165-C167 VanDerWaalsContact C-N 3.26Å; S165-C167 WeakPolarHBondContact CB-O 3.35Å; S165-C167 PolarHBondContact O-N 3.31Å; S165-C167 PolarHBondContact OG-N 3.41Å; S165-C167 PolarHBondContact OG-O 3.25Å; S165-C167 PolarHBondContact OG-SG 2.86Å; C167-L169 PolarHBondContact O-N 3.1Å
168P85.9Confident85Confident60 Ų6070.7 Ų70.739%0.3939%0.387SS..  trans-55.6135.8174.4-27.437000112.4P70 N170P70-P168 HydrophobicContact CB-CB 3.83Å; P168-N170 WeakPolarHBondContact CB-OD1 2.98Å; P168-N170 PolarHBondContact O-ND2 3.21Å; P168-N170 VanDerWaalsContact O-ND2 3.07Å
169L84.6Confident84.6Confident18 Ų1870.6 Ų70.69%0.09439%0.387CS..  trans-99.6104.8170.6-55.1175.7000107.8L69 C167 E174 V175 W178L69-L169 HydrophobicContact CD2-CD1 4.27Å; C167-L169 PolarHBondContact O-N 3.1Å; L169-E174 HydrophobicContact CB-CB 4.21Å; L169-E174 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CB-CG2 3.96Å; L169-V175 HydrophobicContact CD1-CG2 4.45Å; L169-W178 HydrophobicContact CD1-CB 3.77Å; L169-W178 HydrophobicContact CD1-CD2 3.87Å; L169-W178 HydrophobicContact CD1-CE3 4.01Å; L169-W178 HydrophobicContact CD1-CG 3.78Å; L169-W178 HydrophobicContact CD2-CB 4.36Å
170N93.4Very high84.6Confident99 Ų9971.8 Ų71.853%0.52939%0.391SS..  trans-105.95.3-165.8-48.4-77.5000113.6P168 E174 I253P168-N170 WeakPolarHBondContact CB-OD1 2.98Å; P168-N170 PolarHBondContact O-ND2 3.21Å; P168-N170 VanDerWaalsContact O-ND2 3.07Å; N170-E174 PolarHBondContact N-OE2 3.43Å; N170-E174 PolarHBondContact ND2-OE2 3.39Å; N170-I253 WeakPolarHBondContact O-CD1 3.27Å
171S94.2Very high85.6Confident34 Ų3471 Ų7124%0.23839%0.385CS..SBendtrans-149156.3179.763.10000110.7E173 E174 V175S171-E173 PolarHBondContact O-N 2.72Å; S171-E174 PolarHBondContact O-N 2.62Å; S171-E174 VanDerWaalsContact O-N 3.12Å; S171-E174 WeakPolarHBondContact OG-CB 3.45Å; S171-E174 VanDerWaalsContact OG-CD 3.25Å; S171-E174 WeakPolarHBondContact OG-CG 3.44Å; S171-E174 PolarHBondContact OG-N 3.12Å; S171-E174 VanDerWaalsContact OG-N 3.16Å; S171-E174 PolarHBondContact OG-OE1 2.73Å; S171-V175 WeakPolarHBondContact O-CG2 3.31Å; S171-V175 PolarHBondContact O-N 2.86Å
172D92.3Very high86.6Confident62 Ų6274.2 Ų74.233%0.33239%0.394SS..Hα-helixtrans-62.6-26.8174.4-60.1-55.4000111.7N176 I253 G254D172-N176 WeakPolarHBondContact O-CB 3.18Å; D172-N176 PolarHBondContact O-N 3.22Å; D172-N176 PolarHBondContact O-ND2 2.9Å; D172-I253 WeakPolarHBondContact OD1-CA 3.26Å; D172-G254 PolarHBondContact OD1-N 3.46Å
173E96.5Very high88.2Confident123 Ų12374.6 Ų74.658%0.57538%0.38SS*.Hα-helixtrans-67.3-43172.8-164.3-170.3148.800111.9S171 N176 K177S171-E173 PolarHBondContact O-N 2.72Å; E173-N176 PolarHBondContact O-N 3.37Å; E173-K177 HydrophobicContact CG-CD 4.33Å; E173-K177 WeakPolarHBondContact O-CB 3.22Å; E173-K177 VanDerWaalsContact O-CG 3.27Å; E173-K177 WeakPolarHBondContact O-CG 3.2Å; E173-K177 PolarHBondContact O-N 3.15Å; E173-K177 VanDerWaalsContact OE1-CE 3.31Å; E173-K177 WeakPolarHBondContact OE1-CE 3.44Å; E173-K177 IonicContact OE1-NZ 3.3Å; E173-K177 PolarHBondContact OE1-NZ 3.46Å
174E92.6Very high89.5Confident71 Ų7168 Ų6833%0.33235%0.349SS..Hα-helixtrans-65.2-43.1174.3-76.9157.9-121.200111.9L169 N170 S171 K177 W178L169-E174 HydrophobicContact CB-CB 4.21Å; L169-E174 HydrophobicContact CD2-CB 4.1Å; N170-E174 PolarHBondContact N-OE2 3.43Å; N170-E174 PolarHBondContact ND2-OE2 3.39Å; S171-E174 PolarHBondContact O-N 2.62Å; S171-E174 VanDerWaalsContact O-N 3.12Å; S171-E174 WeakPolarHBondContact OG-CB 3.45Å; S171-E174 VanDerWaalsContact OG-CD 3.25Å; S171-E174 WeakPolarHBondContact OG-CG 3.44Å; S171-E174 PolarHBondContact OG-N 3.12Å; S171-E174 VanDerWaalsContact OG-N 3.16Å; S171-E174 PolarHBondContact OG-OE1 2.73Å; E174-K177 PolarHBondContact O-N 3.16Å; E174-W178 PolarHBondContact O-N 3.15Å; E174-W178 VanDerWaalsContact O-N 3.09Å
175V89.8Confident90.7Very high9 Ų968.6 Ų68.66%0.05535%0.351CS..Hα-helixtrans-60.5-49.5174.11740000110.4L69 L169 S171 K177 W178 L179 I253L69-V175 HydrophobicContact CD1-CG2 4.05Å; L169-V175 HydrophobicContact CB-CG2 3.96Å; L169-V175 HydrophobicContact CD1-CG2 4.45Å; S171-V175 WeakPolarHBondContact O-CG2 3.31Å; S171-V175 PolarHBondContact O-N 2.86Å; V175-K177 VanDerWaalsContact C-N 3.28Å; V175-K177 PolarHBondContact O-N 2.66Å; V175-W178 PolarHBondContact O-N 2.9Å; V175-W178 VanDerWaalsContact O-N 3.08Å; V175-L179 HydrophobicContact CG1-CD1 3.85Å; V175-L179 HydrophobicContact CG1-CG 4.18Å; V175-L179 WeakPolarHBondContact O-CG 3.26Å; V175-L179 PolarHBondContact O-N 3.08Å; V175-I253 HydrophobicContact CG2-CG2 3.91Å
176N92.1Very high91.6Very high55 Ų5568.4 Ų68.429%0.29435%0.351SS..Hα-helixtrans-67-25.4179.9-73.7-40.8000113.6D172 E173 F181D172-N176 WeakPolarHBondContact O-CB 3.18Å; D172-N176 PolarHBondContact O-N 3.22Å; D172-N176 PolarHBondContact O-ND2 2.9Å; E173-N176 PolarHBondContact O-N 3.37Å; N176-F181 HydrophobicContact CB-CE2 4.12Å; N176-F181 HydrophobicContact CB-CZ 4.47Å; N176-F181 WeakPolarHBondContact O-CE2 3.31Å; N176-F181 VanDerWaalsContact OD1-CZ 3.31Å; N176-F181 WeakPolarHBondContact OD1-CZ 3.32Å
177K93.6Very high92.4Very high152 Ų15266.1 Ų66.166%0.66133%0.334SS*.Hα-helixtrans-74.8-28.8171.2-81167169.4169.20113.1E173 E174 V175E173-K177 HydrophobicContact CG-CD 4.33Å; E173-K177 WeakPolarHBondContact O-CB 3.22Å; E173-K177 VanDerWaalsContact O-CG 3.27Å; E173-K177 WeakPolarHBondContact O-CG 3.2Å; E173-K177 PolarHBondContact O-N 3.15Å; E173-K177 VanDerWaalsContact OE1-CE 3.31Å; E173-K177 WeakPolarHBondContact OE1-CE 3.44Å; E173-K177 IonicContact OE1-NZ 3.3Å; E173-K177 PolarHBondContact OE1-NZ 3.46Å; E174-K177 PolarHBondContact O-N 3.16Å; V175-K177 VanDerWaalsContact C-N 3.28Å; V175-K177 PolarHBondContact O-N 2.66Å
178W88.3Confident93.1Very high38 Ų3862.9 Ų62.914%0.14431%0.312CS..Hα-helixtrans-81.7-37.3175.5175.376.1000112M160 P161 F164 L169 E174 V175M160-W178 HydrophobicContact CB-CH2 3.67Å; M160-W178 HydrophobicContact CB-CZ2 4.42Å; M160-W178 HydrophobicContact CB-CZ3 4.05Å; M160-W178 HydrophobicContact CG-CH2 3.75Å; M160-W178 HydrophobicContact CG-CZ3 3.73Å; M160-W178 HydrophobicContact SD-CH2 3.8Å; M160-W178 HydrophobicContact SD-CZ3 3.98Å; P161-W178 HydrophobicContact CB-CZ2 4.36Å; P161-W178 VanDerWaalsContact CD-O 3.27Å; P161-W178 WeakPolarHBondContact CD-O 3.45Å; P161-W178 HydrophobicContact CG-CD2 4.14Å; P161-W178 HydrophobicContact CG-CG 4.28Å; P161-W178 HydrophobicContact CG-CZ2 4.18Å; P161-W178 WeakPolarHBondContact CG-O 3.18Å; F164-W178 HydrophobicContact CD1-CH2 4.48Å; F164-W178 HydrophobicContact CD1-CZ2 4.35Å; L169-W178 HydrophobicContact CD1-CB 3.77Å; L169-W178 HydrophobicContact CD1-CD2 3.87Å; L169-W178 HydrophobicContact CD1-CE3 4.01Å; L169-W178 HydrophobicContact CD1-CG 3.78Å; L169-W178 HydrophobicContact CD2-CB 4.36Å; E174-W178 PolarHBondContact O-N 3.15Å; E174-W178 VanDerWaalsContact O-N 3.09Å; V175-W178 PolarHBondContact O-N 2.9Å; V175-W178 VanDerWaalsContact O-N 3.08Å
179L85.9Confident93.6Very high16 Ų1660.5 Ų60.58%0.08430%0.296CS..SBendtrans-65.6139177.3-69.5176.8000112.7H158 M160 V175 F181H158-L179 HydrophobicContact CB-CB 4.35Å; M160-L179 HydrophobicContact CB-CD2 4.44Å; M160-L179 HydrophobicContact CG-CD2 3.71Å; V175-L179 HydrophobicContact CG1-CD1 3.85Å; V175-L179 HydrophobicContact CG1-CG 4.18Å; V175-L179 WeakPolarHBondContact O-CG 3.26Å; V175-L179 PolarHBondContact O-N 3.08Å; L179-F181 HydrophobicContact CB-CD2 4.4Å; L179-F181 HydrophobicContact CB-CE2 3.85Å; L179-F181 HydrophobicContact CB-CZ 4.34Å; L179-F181 HydrophobicContact CD1-CZ 4.33Å
180H85.3Confident94.2Very high98 Ų9859.7 Ų59.745%0.45429%0.292SS..EExtended strand (participates in β ladder)trans-90.4116.6172-68.9-168.1000109.6H158 I159 Y182H158-H180 CarbonylContact C-O 3.56Å; H158-H180 WeakPolarHBondContact CA-O 3.34Å; H158-H180 WeakPolarHBondContact CB-O 3.37Å; I159-H180 PolarHBondContact N-O 3.32Å; I159-H180 WeakPolarHBondContact O-CB 3.36Å; I159-H180 PolarHBondContact O-N 3.09Å; H180-Y182 HydrophobicContact CB-CE2 3.64Å; H180-Y182 WeakPolarHBondContact CB-OH 3.38Å; H180-Y182 VanDerWaalsContact O-CD2 3.3Å; H180-Y182 WeakPolarHBondContact O-CD2 3.4Å; H180-Y182 WeakPolarHBondContact O-CE2 3.45Å
181F96.6Very high94.3Very high69 Ų6956.2 Ų56.230%0.30327%0.273SS..EExtended strand (participates in β ladder)trans-93.4142179.3-76.4-84.3000112.9K156 S157 H158 N176 L179 H221K156-F181 HydrophobicContact CD-CD1 4.38Å; K156-F181 VanDerWaalsContact CE-CE1 3.46Å; K156-F181 HydrophobicContact CG-CD1 4.2Å; S157-F181 CarbonylContact O-C 3.59Å; S157-F181 WeakPolarHBondContact O-CA 3.11Å; S157-F181 WeakPolarHBondContact O-CD1 3.02Å; H158-F181 HydrophobicContact CB-CD1 3.9Å; H158-F181 HydrophobicContact CB-CE1 3.86Å; H158-F181 HydrophobicContact CB-CG 4.38Å; H158-F181 HydrophobicContact CB-CZ 4.29Å; N176-F181 HydrophobicContact CB-CE2 4.12Å; N176-F181 HydrophobicContact CB-CZ 4.47Å; N176-F181 WeakPolarHBondContact O-CE2 3.31Å; N176-F181 VanDerWaalsContact OD1-CZ 3.31Å; N176-F181 WeakPolarHBondContact OD1-CZ 3.32Å; L179-F181 HydrophobicContact CB-CD2 4.4Å; L179-F181 HydrophobicContact CB-CE2 3.85Å; L179-F181 HydrophobicContact CB-CZ 4.34Å; L179-F181 HydrophobicContact CD1-CZ 4.33Å; F181-H221 AromaticContact CE1-CD2 3.98Å
182Y97Very high94.4Very high96 Ų9654.7 Ų54.738%0.37626%0.262SS..EExtended strand (participates in β ladder)trans-137147.6-178.3-56.3-88.2000111.4S157 I159 H180 M184S157-Y182 PolarHBondContact N-O 2.93Å; S157-Y182 PolarHBondContact O-N 3.34Å; S157-Y182 PolarHBondContact OG-O 3.14Å; S157-Y182 VanDerWaalsContact OG-O 3.06Å; I159-Y182 HydrophobicContact CB-CE2 3.92Å; I159-Y182 HydrophobicContact CD1-CD2 4.28Å; I159-Y182 HydrophobicContact CD1-CE2 3.88Å; I159-Y182 HydrophobicContact CG1-CD2 4.06Å; I159-Y182 HydrophobicContact CG1-CE2 3.78Å; H180-Y182 HydrophobicContact CB-CE2 3.64Å; H180-Y182 WeakPolarHBondContact CB-OH 3.38Å; H180-Y182 VanDerWaalsContact O-CD2 3.3Å; H180-Y182 WeakPolarHBondContact O-CD2 3.4Å; H180-Y182 WeakPolarHBondContact O-CE2 3.45Å; Y182-M184 HydrophobicContact CD2-CE 3.98Å; Y182-M184 HydrophobicContact CG-CE 3.83Å
183E98.5Very high94.5Very high105 Ų10553.4 Ų53.449%0.49126%0.257SS..EExtended strand (participates in β ladder)trans-94.4114.3159.8-170.4-178.2-124.100108.9K154 V155 T224K154-E183 HydrophobicContact CB-CG 3.94Å; K154-E183 HydrophobicContact CD-CG 3.74Å; K154-E183 WeakPolarHBondContact CD-OE2 3.23Å; K154-E183 WeakPolarHBondContact CE-OE2 3.39Å; K154-E183 IonicContact NZ-OE1 3.95Å; K154-E183 IonicContact NZ-OE2 2.69Å; K154-E183 PolarHBondContact NZ-OE2 3.49Å; V155-E183 CarbonylContact O-C 3.52Å; V155-E183 VanDerWaalsContact O-CA 3.31Å; V155-E183 WeakPolarHBondContact O-CA 3.19Å; E183-T224 WeakPolarHBondContact OE1-CB 3.34Å; E183-T224 PolarHBondContact OE1-OG1 2.88Å
184M98.3Very high94.5Very high13 Ų1347.6 Ų47.66%0.06423%0.229CC..EExtended strand (participates in β ladder)trans-112.5153.9-178.3-69.4-169-174.300110.9K154 V155 S157 I159 Y182 L188 F210 E216 G217K154-M184 CarbonylContact C-O 3.57Å; K154-M184 WeakPolarHBondContact CA-O 3.46Å; K154-M184 WeakPolarHBondContact CB-O 3.43Å; V155-M184 HydrophobicContact CG2-CB 4.11Å; V155-M184 PolarHBondContact N-O 3.48Å; V155-M184 PolarHBondContact O-N 2.85Å; S157-M184 WeakPolarHBondContact OG-CG 3.48Å; I159-M184 HydrophobicContact CD1-CE 3.99Å; I159-M184 HydrophobicContact CG1-CE 4.41Å; Y182-M184 HydrophobicContact CD2-CE 3.98Å; Y182-M184 HydrophobicContact CG-CE 3.83Å; M184-L188 HydrophobicContact CB-CD1 4.4Å; M184-F210 HydrophobicContact CB-CE2 4.21Å; M184-F210 HydrophobicContact CB-CZ 4.12Å; M184-F210 HydrophobicContact CG-CZ 4.34Å; M184-F210 HydrophobicContact SD-CE2 3.57Å; M184-F210 VanDerWaalsContact SD-CE2 3.57Å; M184-F210 HydrophobicContact SD-CZ 3.5Å; M184-F210 VanDerWaalsContact SD-CZ 3.5Å; M184-E216 WeakPolarHBondContact CA-OE2 3.46Å; M184-E216 HydrophobicContact CB-CB 4.39Å; M184-E216 VanDerWaalsContact CB-OE2 3.28Å; M184-E216 WeakPolarHBondContact CB-OE2 3.35Å; M184-E216 HydrophobicContact CG-CB 4.23Å; M184-E216 HydrophobicContact CG-CG 4.26Å; M184-E216 HydrophobicContact SD-CB 3.74Å; M184-E216 HydrophobicContact SD-CG 4.26Å; M184-G217 WeakPolarHBondContact CE-O 3.21Å; M184-G217 PolarHBondContact SD-N 3.27Å; M184-G217 VanDerWaalsContact SD-N 3.42Å
185K98.4Very high94.8Very high103 Ų10344.4 Ų44.445%0.44822%0.215SC..EExtended strand (participates in β ladder)trans-117.1147.4-167.572.5-172.9179.3-77.90113.2K154 L188 H214 E216K154-K185 HydrophobicContact CG-CB 4.29Å; K185-L188 WeakPolarHBondContact O-CD2 3.32Å; K185-L188 WeakPolarHBondContact O-CG 3.42Å; K185-H214 PolarHBondContact O-CE1 3.28Å; K185-H214 PolarHBondContact O-NE2 2.76Å; K185-E216 PolarHBondContact N-OE2 3.12Å; K185-E216 IonicContact NZ-OE1 2.9Å; K185-E216 PolarHBondContact NZ-OE1 3.32Å
186A97.3Very high95.1Very high22 Ų2244 Ų4418%0.18221%0.213CC..SBendtrans-57.5151.4169.500000112.7I150 K152 G153I150-A186 HydrophobicContact CG2-CB 4.32Å; I150-A186 VanDerWaalsContact O-CB 3.29Å; I150-A186 WeakPolarHBondContact O-CB 3.38Å; K152-A186 VanDerWaalsContact CA-CB 3.45Å; G153-A186 WeakPolarHBondContact O-CB 3.44Å; G153-A186 PolarHBondContact O-N 2.59Å
187P98.1Very high95.3Very high77 Ų7746.7 Ų46.750%0.522%0.219SC..  cis-80.4136.1-0.331.4-34.3000112.8I150 S212 H214I150-P187 VanDerWaalsContact O-CA 3.29Å; I150-P187 WeakPolarHBondContact O-CA 3.34Å; P187-S212 WeakPolarHBondContact O-CB 3.18Å; P187-H214 PolarHBondContact O-NE2 3.5Å
188L97.4Very high95.4Very high1 Ų141.9 Ų41.91%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-124.9134.4175.2-56.8174.8000109.4I149 I150 V155 M184 K185 F210 E216I149-L188 CarbonylContact C-O 3.38Å; I149-L188 VanDerWaalsContact CA-O 3.29Å; I149-L188 WeakPolarHBondContact CA-O 3.24Å; I150-L188 HydrophobicContact CB-CB 4.25Å; I150-L188 HydrophobicContact CD1-CD1 4.35Å; I150-L188 HydrophobicContact CG1-CB 4.48Å; I150-L188 PolarHBondContact N-O 3.16Å; I150-L188 PolarHBondContact O-N 3.41Å; V155-L188 HydrophobicContact CG1-CD1 4.43Å; V155-L188 HydrophobicContact CG2-CD1 3.55Å; M184-L188 HydrophobicContact CB-CD1 4.4Å; K185-L188 WeakPolarHBondContact O-CD2 3.32Å; K185-L188 WeakPolarHBondContact O-CG 3.42Å; L188-F210 HydrophobicContact CB-CD2 3.98Å; L188-F210 HydrophobicContact CB-CG 4.47Å; L188-F210 HydrophobicContact CD1-CD2 3.82Å; L188-F210 HydrophobicContact CD1-CE2 3.66Å; L188-F210 HydrophobicContact CD1-CG 4.47Å; L188-F210 HydrophobicContact CD1-CZ 4.2Å; L188-F210 HydrophobicContact CD2-CD2 3.76Å; L188-F210 HydrophobicContact CD2-CE2 3.76Å; L188-F210 HydrophobicContact CG-CD2 4.04Å; L188-F210 HydrophobicContact CG-CE2 4.2Å; L188-E216 HydrophobicContact CD2-CB 4.23Å
189V95.7Very high95.7Very high10 Ų1042.5 Ų42.56%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-100114.6174.2-178.20000108.6P45 F46 F210 F211P45-V189 HydrophobicContact CB-CG2 4.19Å; F46-V189 HydrophobicContact CD1-CG1 4.36Å; V189-F210 CarbonylContact O-C 2.98Å; V189-F210 WeakPolarHBondContact O-CA 3.5Å; V189-F210 WeakPolarHBondContact O-CB 3.37Å; V189-F211 HydrophobicContact CB-CD1 4.44Å; V189-F211 HydrophobicContact CB-CD2 4.41Å; V189-F211 HydrophobicContact CB-CE1 4.02Å; V189-F211 HydrophobicContact CB-CE2 3.98Å; V189-F211 HydrophobicContact CB-CZ 3.77Å; V189-F211 HydrophobicContact CG1-CE1 3.79Å; V189-F211 HydrophobicContact CG1-CE2 4.27Å; V189-F211 HydrophobicContact CG1-CZ 3.59Å; V189-F211 HydrophobicContact CG2-CE2 4.38Å; V189-F211 HydrophobicContact CG2-CZ 4.48Å; V189-F211 PolarHBondContact N-O 3.46Å; V189-F211 PolarHBondContact O-N 3.11Å
190C97Very high96.2Very high0 Ų044.5 Ų44.50%023%0.234CC..EExtended strand (participates in β ladder)trans-105.8146.5-172.1-57.90000111.8T147 F148 T208 H209 F210T147-C190 VanDerWaalsContact CA-O 3.25Å; T147-C190 WeakPolarHBondContact CA-O 3.36Å; T147-C190 WeakPolarHBondContact CB-O 3.41Å; T147-C190 PolarHBondContact OG1-O 3.32Å; F148-C190 HydrophobicContact CD1-CB 3.67Å; F148-C190 HydrophobicContact CD2-CB 3.82Å; F148-C190 HydrophobicContact CE1-CB 3.42Å; F148-C190 VanDerWaalsContact CE1-CB 3.42Å; F148-C190 HydrophobicContact CE2-CB 3.59Å; F148-C190 WeakPolarHBondContact CE2-SG 3.41Å; F148-C190 HydrophobicContact CG-CB 3.88Å; F148-C190 HydrophobicContact CZ-CB 3.38Å; F148-C190 PolarHBondContact N-O 2.72Å; F148-C190 WeakPolarHBondContact O-CA 3.16Å; F148-C190 WeakPolarHBondContact O-CB 3.27Å; F148-C190 PolarHBondContact O-N 3.08Å; C190-T208 HydrophobicContact CB-CG2 3.94Å; C190-H209 CarbonylContact C-O 3.49Å; C190-H209 WeakPolarHBondContact CA-O 3.31Å; C190-F210 HydrophobicContact CB-CB 4.19Å; C190-F210 VanDerWaalsContact SG-CB 3.54Å
191L94.5Very high96.7Very high26 Ų2641.9 Ų41.914%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-12681.5-177.7-58.8177.7000109.2F48 L95 H209 F211F48-L191 HydrophobicContact CE1-CD2 4.42Å; F48-L191 HydrophobicContact CZ-CD2 3.86Å; L95-L191 HydrophobicContact CD2-CD2 4.2Å; L191-H209 PolarHBondContact N-O 3.22Å; L191-F211 HydrophobicContact CD1-CD1 4.49Å; L191-F211 HydrophobicContact CD1-CE1 4.2Å; L191-F211 HydrophobicContact CG-CE1 4.4Å
192P96.6Very high96.6Very high2 Ų240 Ų401%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-84.6147.1179.234.4-36000112.7V126 F148 F194 H207 T208 F235V126-P192 HydrophobicContact CG2-CB 4.16Å; F148-P192 HydrophobicContact CD1-CB 4.48Å; F148-P192 HydrophobicContact CD1-CG 3.68Å; F148-P192 HydrophobicContact CE1-CB 4.05Å; F148-P192 HydrophobicContact CE1-CG 3.74Å; P192-F194 HydrophobicContact CB-CD1 4.42Å; P192-H207 WeakPolarHBondContact CA-O 3.3Å; P192-T208 HydrophobicContact CB-CG2 4.11Å; P192-T208 WeakPolarHBondContact CB-OG1 3.36Å; P192-F235 HydrophobicContact CG-CE1 3.65Å; P192-F235 HydrophobicContact CG-CZ 4.47Å
193V94.3Very high96.5Very high36 Ų3635.8 Ų35.822%0.21820%0.198CC..EExtended strand (participates in β ladder)trans-127134.6156.7-178.70000107I59 H207I59-V193 HydrophobicContact CD1-CG1 3.95Å; I59-V193 HydrophobicContact CG1-CG1 4.15Å; I59-V193 HydrophobicContact CG2-CG1 4.29Å; V193-H207 PolarHBondContact N-O 2.85Å; V193-H207 PolarHBondContact O-N 3.35Å
194F97.6Very high96.2Very high0 Ų032.3 Ų32.30%018%0.181CC..EExtended strand (participates in β ladder)trans-146.8148.8174.858.4-80.8000111.9V126 M129 R130 L133 M144 P192 L205 E206 F235V126-F194 HydrophobicContact CG1-CB 3.99Å; V126-F194 HydrophobicContact CG1-CD1 3.77Å; V126-F194 HydrophobicContact CG1-CE1 4.41Å; V126-F194 HydrophobicContact CG1-CG 3.97Å; M129-F194 HydrophobicContact CB-CE2 3.8Å; M129-F194 HydrophobicContact CB-CZ 3.8Å; M129-F194 HydrophobicContact CE-CE1 4.06Å; M129-F194 HydrophobicContact CE-CZ 3.99Å; M129-F194 HydrophobicContact SD-CZ 4.23Å; R130-F194 HydrophobicContact CB-CD2 3.86Å; R130-F194 HydrophobicContact CG-CD2 4.31Å; L133-F194 HydrophobicContact CD1-CE2 4.04Å; M144-F194 HydrophobicContact CB-CD1 4.1Å; M144-F194 HydrophobicContact CB-CD2 3.93Å; M144-F194 HydrophobicContact CB-CE1 3.69Å; M144-F194 HydrophobicContact CB-CE2 3.52Å; M144-F194 HydrophobicContact CB-CG 4.22Å; M144-F194 HydrophobicContact CB-CZ 3.39Å; M144-F194 HydrophobicContact CG-CD2 4.31Å; M144-F194 HydrophobicContact CG-CE2 3.67Å; M144-F194 HydrophobicContact CG-CZ 3.85Å; M144-F194 PolarHBondContact N-O 2.86Å; M144-F194 PolarHBondContact O-N 3.3Å; P192-F194 HydrophobicContact CB-CD1 4.42Å; F194-L205 CarbonylContact C-O 3.57Å; F194-L205 WeakPolarHBondContact CA-O 3.38Å; F194-L205 WeakPolarHBondContact CB-O 3.35Å; F194-E206 HydrophobicContact CB-CG 4.27Å; F194-F235 HydrophobicContact CE1-CD1 4.28Å; F194-F235 HydrophobicContact CE1-CE1 4.18Å
195V97.5Very high96.1Very high5 Ų534.5 Ų34.53%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-127.2127.9177.2-173.60000108F8 I59 R130 I142 R197 L203 L205F8-V195 HydrophobicContact CE1-CG1 3.93Å; F8-V195 HydrophobicContact CZ-CG1 4.09Å; F8-V195 HydrophobicContact CZ-CG2 4.4Å; I59-V195 HydrophobicContact CD1-CG2 4.22Å; R130-V195 WeakPolarHBondContact CD-O 3.49Å; R130-V195 WeakPolarHBondContact CG-O 3.45Å; I142-V195 CarbonylContact O-C 3.39Å; I142-V195 WeakPolarHBondContact O-CA 3.43Å; V195-R197 VanDerWaalsContact C-N 3.26Å; V195-R197 WeakPolarHBondContact CG1-O 3.3Å; V195-R197 PolarHBondContact O-N 3.07Å; V195-L203 HydrophobicContact CB-CD1 4.48Å; V195-L203 HydrophobicContact CG1-CD1 4.3Å; V195-L203 HydrophobicContact CG2-CD1 4.35Å; V195-L205 PolarHBondContact N-O 3.29Å
196S97.3Very high96Very high1 Ų131.3 Ų31.31%0.00718%0.179CC..SBendtrans-54.6-43.6-174.263.30000112.6R130 E134 I142R130-S196 PolarHBondContact NH1-O 2.9Å; E134-S196 WeakPolarHBondContact CB-O 3.48Å; I142-S196 PolarHBondContact N-OG 3.5Å; I142-S196 PolarHBondContact O-N 3.03Å
197R96.3Very high96Very high110 Ų11032.8 Ų32.842%0.41518%0.182SC..SBendtrans-148.6141-179.7171.9168.5-70.3-153.3-2.2110.8E134 P141 V195 P199E134-R197 HydrophobicContact CG-CB 4.38Å; E134-R197 IonicContact OE1-CZ 2.88Å; E134-R197 VanDerWaalsContact OE1-CZ 3.23Å; E134-R197 IonicContact OE1-NE 2.77Å; E134-R197 PolarHBondContact OE1-NE 2.99Å; E134-R197 IonicContact OE1-NH2 2.7Å; E134-R197 PolarHBondContact OE1-NH2 3.38Å; P141-R197 WeakPolarHBondContact CB-O 3.47Å; V195-R197 VanDerWaalsContact C-N 3.26Å; V195-R197 WeakPolarHBondContact CG1-O 3.3Å; V195-R197 PolarHBondContact O-N 3.07Å; R197-P199 WeakPolarHBondContact O-CD 3.49Å
198D96.6Very high96Very high51 Ų5129.4 Ų29.427%0.27316%0.16SC..  trans-73.4122.9171.5-171.4-9.9000110.5G200 F201 D202 L203 L205D198-G200 VanDerWaalsContact C-N 3.25Å; D198-G200 PolarHBondContact O-N 2.96Å; D198-G200 PolarHBondContact OD1-N 2.88Å; D198-F201 PolarHBondContact OD1-N 3.26Å; D198-D202 VanDerWaalsContact OD2-CA 3.26Å; D198-D202 WeakPolarHBondContact OD2-CA 3.36Å; D198-D202 PolarHBondContact OD2-N 2.85Å; D198-L203 HydrophobicContact CB-CB 4.38Å; D198-L203 HydrophobicContact CB-CD1 4.46Å; D198-L203 HydrophobicContact CB-CG 4.48Å; D198-L203 PolarHBondContact OD2-N 3.46Å; D198-L205 HydrophobicContact CB-CD2 3.96Å
199P94.6Very high95.9Very high51 Ų5132.4 Ų32.433%0.33117%0.174SC..  trans-78.10173.58.15.2000114.7F6 P141 R197 F201 L241F6-P199 HydrophobicContact CD1-CG 4.31Å; F6-P199 HydrophobicContact CE1-CB 4.31Å; F6-P199 HydrophobicContact CE1-CG 3.79Å; F6-P199 HydrophobicContact CE2-CB 3.99Å; F6-P199 HydrophobicContact CE2-CG 4.29Å; F6-P199 HydrophobicContact CZ-CB 3.77Å; F6-P199 HydrophobicContact CZ-CG 3.78Å; P141-P199 HydrophobicContact CB-CG 4.22Å; P141-P199 HydrophobicContact CG-CB 4.3Å; P141-P199 HydrophobicContact CG-CG 3.97Å; R197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-F201 HydrophobicContact CB-CD2 4.22Å; P199-F201 HydrophobicContact CB-CE2 4.18Å; P199-F201 HydrophobicContact CG-CD2 3.87Å; P199-F201 HydrophobicContact CG-CE2 4.08Å; P199-L241 HydrophobicContact CG-CD2 4.49Å
200G95.6Very high96Very high59 Ų5932.3 Ų32.361%0.60817%0.173SC*.SBendtrans122.222.5179.500000115D198D198-G200 VanDerWaalsContact C-N 3.25Å; D198-G200 PolarHBondContact O-N 2.96Å; D198-G200 PolarHBondContact OD1-N 2.88Å
201F95.5Very high95.8Very high43 Ų4335.9 Ų35.919%0.18919%0.188CC..SBendtrans-106.77.8-174.3-67.7-71.3000114.4F6 D198 P199 L203 L241 R243 Q246F6-F201 HydrophobicContact CB-CE2 3.89Å; F6-F201 HydrophobicContact CB-CZ 4Å; F6-F201 AromaticContact CD2-CE2 3.63Å; F6-F201 HydrophobicContact CD2-CE2 3.63Å; F6-F201 HydrophobicContact CD2-CZ 4.01Å; F6-F201 HydrophobicContact CE2-CE2 4.29Å; F6-F201 AromaticContact CG-CE2 3.76Å; F6-F201 HydrophobicContact CG-CE2 3.76Å; F6-F201 HydrophobicContact CG-CZ 4.24Å; D198-F201 PolarHBondContact OD1-N 3.26Å; P199-F201 HydrophobicContact CB-CD2 4.22Å; P199-F201 HydrophobicContact CB-CE2 4.18Å; P199-F201 HydrophobicContact CG-CD2 3.87Å; P199-F201 HydrophobicContact CG-CE2 4.08Å; F201-L203 HydrophobicContact CB-CD2 3.78Å; F201-L203 HydrophobicContact CB-CG 4.02Å; F201-L241 HydrophobicContact CB-CD2 4.44Å; F201-L241 HydrophobicContact CD2-CD2 3.72Å; F201-L241 HydrophobicContact CE2-CD2 4.31Å; F201-L241 HydrophobicContact CG-CD2 4.26Å; F201-R243 HydrophobicContact CB-CB 4.33Å; F201-R243 HydrophobicContact CB-CG 4.09Å; F201-R243 HydrophobicContact CD1-CB 3.98Å; F201-R243 HydrophobicContact CD1-CG 4.22Å; F201-R243 HydrophobicContact CG-CB 4.34Å; F201-R243 PolarHBondContact O-NE 3.36Å; F201-Q246 VanDerWaalsContact O-CD 3.3Å; F201-Q246 PolarHBondContact O-NE2 2.93Å
202D95.4Very high95.8Very high29 Ų2935.7 Ų35.716%0.15519%0.189CC..  trans55.863.4-178-172.232.3000111.5D198 R243 T250 R255D198-D202 VanDerWaalsContact OD2-CA 3.26Å; D198-D202 WeakPolarHBondContact OD2-CA 3.36Å; D198-D202 PolarHBondContact OD2-N 2.85Å; D202-R243 PolarHBondContact O-NH2 3.07Å; D202-T250 VanDerWaalsContact CG-OG1 3.31Å; D202-T250 PolarHBondContact OD1-OG1 2.65Å; D202-T250 VanDerWaalsContact OD2-CB 3.28Å; D202-T250 WeakPolarHBondContact OD2-CB 3.22Å; D202-T250 PolarHBondContact OD2-OG1 3.05Å; D202-R255 IonicContact OD1-CZ 2.68Å; D202-R255 IonicContact OD1-NH1 2.92Å; D202-R255 PolarHBondContact OD1-NH1 2.79Å; D202-R255 IonicContact OD1-NH2 3.98Å; D202-R255 PolarHBondContact OD1-NH2 2.78Å; D202-R255 IonicContact OD2-NH2 2.65Å; D202-R255 PolarHBondContact OD2-NH2 2.8Å
203L93.4Very high95.4Very high7 Ų743.5 Ų43.54%0.03722%0.218CC..  trans-91.4151.4-173.7-58.7-177.6000112.5E61 V195 D198 F201 L205 L241 R255E61-L203 HydrophobicContact CB-CD2 4.46Å; E61-L203 HydrophobicContact CG-CD2 4.2Å; V195-L203 HydrophobicContact CB-CD1 4.48Å; V195-L203 HydrophobicContact CG1-CD1 4.3Å; V195-L203 HydrophobicContact CG2-CD1 4.35Å; D198-L203 HydrophobicContact CB-CB 4.38Å; D198-L203 HydrophobicContact CB-CD1 4.46Å; D198-L203 HydrophobicContact CB-CG 4.48Å; D198-L203 PolarHBondContact OD2-N 3.46Å; F201-L203 HydrophobicContact CB-CD2 3.78Å; F201-L203 HydrophobicContact CB-CG 4.02Å; L203-L205 PolarHBondContact O-N 2.99Å; L203-L241 HydrophobicContact CD1-CD1 4.45Å; L203-L241 HydrophobicContact CD1-CD2 3.78Å; L203-L241 HydrophobicContact CD2-CD1 4.28Å; L203-L241 HydrophobicContact CD2-CD2 4.19Å; L203-R255 PolarHBondContact O-NH1 2.96Å
204R92.7Very high95.4Very high32 Ų3245.1 Ų45.112%0.12122%0.223CC..  trans-82.1104.3159.1-177.972.1-172.4-128.31.1107.3E206 H207 H219 G254 R255 D256R204-E206 VanDerWaalsContact C-N 3.28Å; R204-E206 WeakPolarHBondContact CG-O 3.37Å; R204-E206 PolarHBondContact NE-O 3.17Å; R204-E206 PolarHBondContact O-N 2.88Å; R204-H207 HydrophobicContact CG-CB 3.89Å; R204-H219 PolarHBondContact NH2-CE1 3.16Å; R204-H219 VanDerWaalsContact NH2-CE1 3.25Å; R204-H219 PolarHBondContact NH2-NE2 2.84Å; R204-G254 PolarHBondContact NH1-O 3.14Å; R204-R255 PolarHBondContact NE-O 3.41Å; R204-R255 VanDerWaalsContact NE-O 3.11Å; R204-R255 PolarHBondContact NH1-O 3Å; R204-R255 PolarHBondContact NH2-O 3.35Å; R204-R255 VanDerWaalsContact NH2-O 3.1Å; R204-D256 PolarHBondContact NH1-O 2.89Å; R204-D256 PolarHBondContact NH2-O 2.83Å; R204-D256 PolarHBondContact NH2-OXT 2.74Å
205L96.4Very high94.8Very high59 Ų5948.9 Ų48.931%0.30926%0.262SS..SBendtrans-65.8-29.2-172.7-67.8-178.7000113.7F194 V195 D198 L203F194-L205 CarbonylContact C-O 3.57Å; F194-L205 WeakPolarHBondContact CA-O 3.38Å; F194-L205 WeakPolarHBondContact CB-O 3.35Å; V195-L205 PolarHBondContact N-O 3.29Å; D198-L205 HydrophobicContact CB-CD2 3.96Å; L203-L205 PolarHBondContact O-N 2.99Å
206E96.9Very high94.8Very high36 Ų3650.5 Ų50.517%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-141.2129.1176.4-60.4179.3-144.800109.3V126 T127 R130 F194 R204V126-E206 HydrophobicContact CG1-CB 4.43Å; V126-E206 HydrophobicContact CG1-CG 4.32Å; T127-E206 WeakPolarHBondContact CA-OE1 3.37Å; T127-E206 WeakPolarHBondContact CA-OE2 3.43Å; T127-E206 WeakPolarHBondContact CB-OE2 3.23Å; T127-E206 WeakPolarHBondContact CG2-OE1 3.37Å; T127-E206 PolarHBondContact N-OE2 3.18Å; T127-E206 VanDerWaalsContact N-OE2 3.12Å; T127-E206 PolarHBondContact OG1-OE1 3.11Å; T127-E206 PolarHBondContact OG1-OE2 2.93Å; R130-E206 HydrophobicContact CB-CG 4.36Å; R130-E206 HydrophobicContact CG-CG 4.48Å; R130-E206 IonicContact CZ-OE1 2.75Å; R130-E206 IonicContact NE-OE1 3.23Å; R130-E206 PolarHBondContact NE-OE1 2.81Å; R130-E206 IonicContact NH2-OE1 2.72Å; F194-E206 HydrophobicContact CB-CG 4.27Å; R204-E206 VanDerWaalsContact C-N 3.28Å; R204-E206 WeakPolarHBondContact CG-O 3.37Å; R204-E206 PolarHBondContact NE-O 3.17Å; R204-E206 PolarHBondContact O-N 2.88Å
207H96.4Very high94.5Very high54 Ų5451.4 Ų51.425%0.2528%0.279CS..EExtended strand (participates in β ladder)trans-146.8120.4170.9-159.3152.8000109.1P192 V193 R204 H209 H219P192-H207 WeakPolarHBondContact CA-O 3.3Å; V193-H207 PolarHBondContact N-O 2.85Å; V193-H207 PolarHBondContact O-N 3.35Å; R204-H207 HydrophobicContact CG-CB 3.89Å; H207-H209 AromaticContact CD2-CD2 3.56Å; H207-H209 AromaticContact CD2-NE2 3.74Å; H207-H209 AromaticContact NE2-CD2 3.28Å; H207-H209 PolarHBondContact NE2-CD2 3.22Å; H207-H209 VanDerWaalsContact NE2-CD2 3.28Å; H207-H209 AromaticContact NE2-CE1 3.85Å; H207-H209 AromaticContact NE2-NE2 2.96Å; H207-H209 PolarHBondContact NE2-NE2 2.86Å; H207-H219 AromaticContact CD2-CE1 3.4Å; H207-H219 PolarHBondContact CD2-CE1 3.23Å; H207-H219 VanDerWaalsContact CD2-CE1 3.4Å; H207-H219 AromaticContact CD2-ND1 3.71Å; H207-H219 AromaticContact NE2-CE1 3.49Å; H207-H219 PolarHBondContact NE2-CE1 3.37Å; H207-H219 AromaticContact NE2-ND1 3.45Å; H207-H219 PolarHBondContact NE2-ND1 2.92Å
208T97.9Very high94.3Very high5 Ų547 Ų473%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-130.9119.2177.1-56.40000110.6F148 C190 P192 Y220F148-T208 HydrophobicContact CE1-CG2 3.84Å; F148-T208 HydrophobicContact CZ-CG2 3.95Å; C190-T208 HydrophobicContact CB-CG2 3.94Å; P192-T208 HydrophobicContact CB-CG2 4.11Å; P192-T208 WeakPolarHBondContact CB-OG1 3.36Å; T208-Y220 HydrophobicContact CG2-CD1 4.28Å; T208-Y220 HydrophobicContact CG2-CG 4.32Å; T208-Y220 PolarHBondContact O-N 3Å
209H96.7Very high94.3Very high64 Ų6445 Ų4530%0.29626%0.256SS..EExtended strand (participates in β ladder)trans-104.8161.1165.4-78.9-160.7000110.2A97 C190 L191 H207 G218 H219A97-H209 HydrophobicContact CB-CB 4Å; C190-H209 CarbonylContact C-O 3.49Å; C190-H209 WeakPolarHBondContact CA-O 3.31Å; L191-H209 PolarHBondContact N-O 3.22Å; H207-H209 AromaticContact CD2-CD2 3.56Å; H207-H209 AromaticContact CD2-NE2 3.74Å; H207-H209 AromaticContact NE2-CD2 3.28Å; H207-H209 PolarHBondContact NE2-CD2 3.22Å; H207-H209 VanDerWaalsContact NE2-CD2 3.28Å; H207-H209 AromaticContact NE2-CE1 3.85Å; H207-H209 AromaticContact NE2-NE2 2.96Å; H207-H209 PolarHBondContact NE2-NE2 2.86Å; H209-G218 CarbonylContact C-O 3.53Å; H209-G218 VanDerWaalsContact CA-O 3.24Å; H209-G218 WeakPolarHBondContact CA-O 3.43Å; H209-H219 AromaticContact CD2-CG 3.91Å; H209-H219 AromaticContact CD2-ND1 3.46Å; H209-H219 PolarHBondContact CD2-ND1 2.9Å; H209-H219 AromaticContact NE2-CG 3.87Å; H209-H219 AromaticContact NE2-ND1 3.19Å; H209-H219 PolarHBondContact NE2-ND1 3.45Å; H209-H219 VanDerWaalsContact NE2-ND1 3.19Å
210F97.4Very high94.5Very high9 Ų942.9 Ų42.94%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-145.2163.2177.566.7-89.1000113V155 M184 L188 V189 C190 G217 G218V155-F210 HydrophobicContact CG2-CE1 4.29Å; V155-F210 HydrophobicContact CG2-CZ 4.07Å; M184-F210 HydrophobicContact CB-CE2 4.21Å; M184-F210 HydrophobicContact CB-CZ 4.12Å; M184-F210 HydrophobicContact CG-CZ 4.34Å; M184-F210 HydrophobicContact SD-CE2 3.57Å; M184-F210 VanDerWaalsContact SD-CE2 3.57Å; M184-F210 HydrophobicContact SD-CZ 3.5Å; M184-F210 VanDerWaalsContact SD-CZ 3.5Å; L188-F210 HydrophobicContact CB-CD2 3.98Å; L188-F210 HydrophobicContact CB-CG 4.47Å; L188-F210 HydrophobicContact CD1-CD2 3.82Å; L188-F210 HydrophobicContact CD1-CE2 3.66Å; L188-F210 HydrophobicContact CD1-CG 4.47Å; L188-F210 HydrophobicContact CD1-CZ 4.2Å; L188-F210 HydrophobicContact CD2-CD2 3.76Å; L188-F210 HydrophobicContact CD2-CE2 3.76Å; L188-F210 HydrophobicContact CG-CD2 4.04Å; L188-F210 HydrophobicContact CG-CE2 4.2Å; V189-F210 CarbonylContact O-C 2.98Å; V189-F210 WeakPolarHBondContact O-CA 3.5Å; V189-F210 WeakPolarHBondContact O-CB 3.37Å; C190-F210 HydrophobicContact CB-CB 4.19Å; C190-F210 VanDerWaalsContact SG-CB 3.54Å; F210-G217 CarbonylContact O-C 3.57Å; F210-G217 WeakPolarHBondContact O-CA 3.48Å; F210-G218 WeakPolarHBondContact CD1-O 3.16Å; F210-G218 PolarHBondContact N-O 3.18Å; F210-G218 PolarHBondContact O-N 3.28Å; F210-G218 VanDerWaalsContact O-N 3.08Å
211F92.7Very high94.6Very high75 Ų7541 Ų4133%0.32922%0.218SC..EExtended strand (participates in β ladder)trans-141.2166173.165-87.7000110.8V189 L191 E216V189-F211 HydrophobicContact CB-CD1 4.44Å; V189-F211 HydrophobicContact CB-CD2 4.41Å; V189-F211 HydrophobicContact CB-CE1 4.02Å; V189-F211 HydrophobicContact CB-CE2 3.98Å; V189-F211 HydrophobicContact CB-CZ 3.77Å; V189-F211 HydrophobicContact CG1-CE1 3.79Å; V189-F211 HydrophobicContact CG1-CE2 4.27Å; V189-F211 HydrophobicContact CG1-CZ 3.59Å; V189-F211 HydrophobicContact CG2-CE2 4.38Å; V189-F211 HydrophobicContact CG2-CZ 4.48Å; V189-F211 PolarHBondContact N-O 3.46Å; V189-F211 PolarHBondContact O-N 3.11Å; L191-F211 HydrophobicContact CD1-CD1 4.49Å; L191-F211 HydrophobicContact CD1-CE1 4.2Å; L191-F211 HydrophobicContact CG-CE1 4.4Å; F211-E216 CarbonylContact C-O 3.36Å
212S93.9Very high94.7Very high22 Ų2243.4 Ų43.415%0.15423%0.226CC..  trans-141.8165.1178.292.30000112.7P187 H214 G215 E216P187-S212 WeakPolarHBondContact O-CB 3.18Å; S212-H214 WeakPolarHBondContact CB-NE2 3.39Å; S212-H214 PolarHBondContact O-N 3.44Å; S212-H214 PolarHBondContact OG-CD2 3.19Å; S212-H214 PolarHBondContact OG-CE1 2.87Å; S212-H214 PolarHBondContact OG-N 2.86Å; S212-H214 PolarHBondContact OG-ND1 3.07Å; S212-H214 PolarHBondContact OG-NE2 3.26Å; S212-G215 PolarHBondContact OG-N 3.46Å; S212-E216 WeakPolarHBondContact CB-O 3.39Å; S212-E216 PolarHBondContact N-O 2.96Å; S212-E216 PolarHBondContact OG-N 2.7Å; S212-E216 VanDerWaalsContact OG-N 3.1Å; S212-E216 PolarHBondContact OG-O 2.78Å
213R88.6Confident94.9Very high166 Ų16642.1 Ų42.163%0.62622%0.219SC*.THydrogen-bonded Turntrans-76.6-6.6169.1-65.9-63-165.2-1543.7113.4E44 T47E44-R213 IonicContact OE1-CZ 3.36Å; E44-R213 IonicContact OE1-NE 3.15Å; E44-R213 PolarHBondContact OE1-NE 2.78Å; E44-R213 IonicContact OE1-NH2 2.68Å; E44-R213 PolarHBondContact OE1-NH2 3.36Å; E44-R213 IonicContact OE2-NE 2.72Å; E44-R213 IonicContact OE2-NH2 3.89Å; T47-R213 PolarHBondContact OG1-NH2 2.91Å
214H93.9Very high95.1Very high70 Ų7044.2 Ų44.232%0.32423%0.232SC..THydrogen-bonded Turntrans-112.614.3-17456.377.4000114K185 P187 S212 E216K185-H214 PolarHBondContact O-CE1 3.28Å; K185-H214 PolarHBondContact O-NE2 2.76Å; P187-H214 PolarHBondContact O-NE2 3.5Å; S212-H214 WeakPolarHBondContact CB-NE2 3.39Å; S212-H214 PolarHBondContact O-N 3.44Å; S212-H214 PolarHBondContact OG-CD2 3.19Å; S212-H214 PolarHBondContact OG-CE1 2.87Å; S212-H214 PolarHBondContact OG-N 2.86Å; S212-H214 PolarHBondContact OG-ND1 3.07Å; S212-H214 PolarHBondContact OG-NE2 3.26Å; H214-E216 VanDerWaalsContact CE1-CD 3.48Å; H214-E216 IonicContact CE1-OE1 3.97Å; H214-E216 IonicContact CE1-OE2 2.68Å; H214-E216 PolarHBondContact CE1-OE2 3.49Å; H214-E216 VanDerWaalsContact CE1-OE2 3.3Å; H214-E216 IonicContact ND1-OE1 2.81Å; H214-E216 IonicContact ND1-OE2 3.81Å
215G86.1Confident95.4Very high79 Ų7943.8 Ų43.881%0.81423%0.233SC*.SBendtrans88.712.2172.100000115.2S212S212-G215 PolarHBondContact OG-N 3.46Å
216E96.5Very high95.5Very high38 Ų3843.1 Ų43.118%0.17823%0.232CC..  trans-105.5142.7178.3-69.7177.1-160.700110.7M184 K185 L188 F211 S212 H214M184-E216 WeakPolarHBondContact CA-OE2 3.46Å; M184-E216 HydrophobicContact CB-CB 4.39Å; M184-E216 VanDerWaalsContact CB-OE2 3.28Å; M184-E216 WeakPolarHBondContact CB-OE2 3.35Å; M184-E216 HydrophobicContact CG-CB 4.23Å; M184-E216 HydrophobicContact CG-CG 4.26Å; M184-E216 HydrophobicContact SD-CB 3.74Å; M184-E216 HydrophobicContact SD-CG 4.26Å; K185-E216 PolarHBondContact N-OE2 3.12Å; K185-E216 IonicContact NZ-OE1 2.9Å; K185-E216 PolarHBondContact NZ-OE1 3.32Å; L188-E216 HydrophobicContact CD2-CB 4.23Å; F211-E216 CarbonylContact C-O 3.36Å; S212-E216 WeakPolarHBondContact CB-O 3.39Å; S212-E216 PolarHBondContact N-O 2.96Å; S212-E216 PolarHBondContact OG-N 2.7Å; S212-E216 VanDerWaalsContact OG-N 3.1Å; S212-E216 PolarHBondContact OG-O 2.78Å; H214-E216 VanDerWaalsContact CE1-CD 3.48Å; H214-E216 IonicContact CE1-OE1 3.97Å; H214-E216 IonicContact CE1-OE2 2.68Å; H214-E216 PolarHBondContact CE1-OE2 3.49Å; H214-E216 VanDerWaalsContact CE1-OE2 3.3Å; H214-E216 IonicContact ND1-OE1 2.81Å; H214-E216 IonicContact ND1-OE2 3.81Å
217G91.4Very high95.5Very high21 Ų2146.7 Ų46.722%0.21625%0.252CS..EExtended strand (participates in β ladder)trans177.6157.8-176.600000111.5I159 M184 F210I159-G217 WeakPolarHBondContact CD1-O 3.49Å; M184-G217 WeakPolarHBondContact CE-O 3.21Å; M184-G217 PolarHBondContact SD-N 3.27Å; M184-G217 VanDerWaalsContact SD-N 3.42Å; F210-G217 CarbonylContact O-C 3.57Å; F210-G217 WeakPolarHBondContact O-CA 3.48Å
218G91.8Very high95.6Very high16 Ų1648.4 Ų48.417%0.16526%0.262CS..EExtended strand (participates in β ladder)trans154.2-158.4-17700000112.6H209 F210H209-G218 CarbonylContact C-O 3.53Å; H209-G218 VanDerWaalsContact CA-O 3.24Å; H209-G218 WeakPolarHBondContact CA-O 3.43Å; F210-G218 WeakPolarHBondContact CD1-O 3.16Å; F210-G218 PolarHBondContact N-O 3.18Å; F210-G218 PolarHBondContact O-N 3.28Å; F210-G218 VanDerWaalsContact O-N 3.08Å
219H96.7Very high95.6Very high9 Ų948.1 Ų48.14%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-86.5129.9174.8-166.5106.2000110.6S157 H158 R204 H207 H209 D256S157-H219 CarbonylContact C-O 3.48Å; S157-H219 WeakPolarHBondContact CA-O 3.45Å; S157-H219 WeakPolarHBondContact CB-O 3.18Å; H158-H219 VanDerWaalsContact CE1-CB 3.4Å; H158-H219 WeakPolarHBondContact CE1-CB 3.41Å; H158-H219 AromaticContact CE1-CD2 3.57Å; H158-H219 AromaticContact CE1-CG 3.29Å; H158-H219 AromaticContact CE1-ND1 3.79Å; H158-H219 PolarHBondContact N-O 3.16Å; H158-H219 AromaticContact ND1-CD2 3.93Å; H158-H219 AromaticContact ND1-CG 3.86Å; H158-H219 WeakPolarHBondContact NE2-CB 3.36Å; H158-H219 AromaticContact NE2-CG 3.64Å; H158-H219 AromaticContact NE2-ND1 3.98Å; H158-H219 PolarHBondContact O-N 2.81Å; R204-H219 PolarHBondContact NH2-CE1 3.16Å; R204-H219 VanDerWaalsContact NH2-CE1 3.25Å; R204-H219 PolarHBondContact NH2-NE2 2.84Å; H207-H219 AromaticContact CD2-CE1 3.4Å; H207-H219 PolarHBondContact CD2-CE1 3.23Å; H207-H219 VanDerWaalsContact CD2-CE1 3.4Å; H207-H219 AromaticContact CD2-ND1 3.71Å; H207-H219 AromaticContact NE2-CE1 3.49Å; H207-H219 PolarHBondContact NE2-CE1 3.37Å; H207-H219 AromaticContact NE2-ND1 3.45Å; H207-H219 PolarHBondContact NE2-ND1 2.92Å; H209-H219 AromaticContact CD2-CG 3.91Å; H209-H219 AromaticContact CD2-ND1 3.46Å; H209-H219 PolarHBondContact CD2-ND1 2.9Å; H209-H219 AromaticContact NE2-CG 3.87Å; H209-H219 AromaticContact NE2-ND1 3.19Å; H209-H219 PolarHBondContact NE2-ND1 3.45Å; H209-H219 VanDerWaalsContact NE2-ND1 3.19Å; H219-D256 PolarHBondContact NE2-OXT 3.1Å
220Y98.2Very high95.7Very high7 Ų746.5 Ų46.53%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-85.9132.5178.4162.4-89.8000111.5N124 F125 I150 V155 T208 Y231N124-Y220 HydrophobicContact CB-CE1 4.28Å; F125-Y220 PolarHBondContact N-OH 2.89Å; I150-Y220 HydrophobicContact CD1-CD2 4.15Å; I150-Y220 HydrophobicContact CD1-CE2 4.02Å; V155-Y220 HydrophobicContact CB-CD2 4.13Å; V155-Y220 HydrophobicContact CB-CE2 4.35Å; V155-Y220 HydrophobicContact CG1-CD2 3.86Å; V155-Y220 HydrophobicContact CG1-CE2 3.75Å; T208-Y220 HydrophobicContact CG2-CD1 4.28Å; T208-Y220 HydrophobicContact CG2-CG 4.32Å; T208-Y220 PolarHBondContact O-N 3Å; Y220-Y231 PolarHBondContact OH-OH 2.91Å
221H97.9Very high95.7Very high21 Ų2146.1 Ų46.110%0.09725%0.252CS..EExtended strand (participates in β ladder)trans-102-60.1169.5-80.3-98.7000112.5N124 K156 H158 F181 D256N124-H221 PolarHBondContact ND2-O 2.84Å; K156-H221 HydrophobicContact CB-CB 4.17Å; K156-H221 HydrophobicContact CD-CB 4.15Å; K156-H221 HydrophobicContact CG-CB 4.16Å; K156-H221 PolarHBondContact O-N 2.93Å; H158-H221 AromaticContact ND1-CD2 3.67Å; F181-H221 AromaticContact CE1-CD2 3.98Å; H221-D256 VanDerWaalsContact NE2-C 3.33Å; H221-D256 WeakPolarHBondContact NE2-CB 3.28Å; H221-D256 PolarHBondContact NE2-OXT 3.45Å; H221-D256 VanDerWaalsContact NE2-OXT 3.15Å
222Y98.5Very high95.7Very high93 Ų9343.4 Ų43.437%0.36524%0.241SC..EExtended strand (participates in β ladder)trans-171161-176.945-101.2000110.8V155 K156 T224V155-Y222 CarbonylContact C-O 3.56Å; V155-Y222 VanDerWaalsContact CA-O 3.25Å; V155-Y222 WeakPolarHBondContact CA-O 3.35Å; V155-Y222 WeakPolarHBondContact CB-O 3.49Å; K156-Y222 HydrophobicContact CB-CD2 4.08Å; K156-Y222 HydrophobicContact CB-CE2 3.86Å; K156-Y222 HydrophobicContact CD-CE1 3.83Å; K156-Y222 HydrophobicContact CD-CE2 3.82Å; K156-Y222 WeakPolarHBondContact CD-OH 3.4Å; K156-Y222 PolarHBondContact N-O 3.4Å; K156-Y222 PolarHBondContact NZ-OH 2.97Å; Y222-T224 HydrophobicContact CE2-CG2 4.45Å
223D98.6Very high95.5Very high1 Ų142.4 Ų42.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-70.3143.1169.359.8-97.2000113R119 K154 P226 V229 Y231R119-D223 IonicContact CZ-OD1 2.69Å; R119-D223 IonicContact CZ-OD2 2.87Å; R119-D223 VanDerWaalsContact NE-CG 3.3Å; R119-D223 IonicContact NE-OD1 3.47Å; R119-D223 PolarHBondContact NE-OD1 2.76Å; R119-D223 VanDerWaalsContact NE-OD1 3.07Å; R119-D223 IonicContact NE-OD2 2.72Å; R119-D223 PolarHBondContact NE-OD2 3.06Å; R119-D223 PolarHBondContact NH2-O 3.12Å; R119-D223 IonicContact NH2-OD2 3.17Å; R119-D223 PolarHBondContact NH2-OD2 2.57Å; K154-D223 CarbonylContact O-C 3.54Å; K154-D223 WeakPolarHBondContact O-CA 3.34Å; K154-D223 WeakPolarHBondContact O-CB 3.45Å; D223-P226 WeakPolarHBondContact OD2-CA 3.32Å; D223-V229 HydrophobicContact CB-CB 4.2Å; D223-V229 HydrophobicContact CB-CG1 4.49Å; D223-V229 HydrophobicContact CB-CG2 3.8Å; D223-Y231 WeakPolarHBondContact CB-OH 3.42Å; D223-Y231 PolarHBondContact OD1-OH 2.94Å
224T98.6Very high95.2Very high52 Ų5235.4 Ų35.432%0.31921%0.207SC..SBendtrans-102.7-5.1176.453.70000113.1K154 K156 E183 Y222 P226K154-T224 WeakPolarHBondContact CB-OG1 3.47Å; K154-T224 PolarHBondContact O-N 3.45Å; K156-T224 HydrophobicContact CB-CG2 4.04Å; E183-T224 WeakPolarHBondContact OE1-CB 3.34Å; E183-T224 PolarHBondContact OE1-OG1 2.88Å; Y222-T224 HydrophobicContact CE2-CG2 4.45Å; T224-P226 VanDerWaalsContact C-CD 3.47Å; T224-P226 WeakPolarHBondContact O-CD 3.47Å
225T98.3Very high94.8Very high23 Ų2332.1 Ų32.114%0.14119%0.192CC..  trans-125.166.2179.862.40000110.5G153 K154 D227 I228 V229G153-T225 WeakPolarHBondContact CA-OG1 3.49Å; K154-T225 HydrophobicContact CB-CG2 4Å; K154-T225 HydrophobicContact CD-CG2 4.2Å; K154-T225 HydrophobicContact CG-CG2 4.01Å; K154-T225 PolarHBondContact N-OG1 2.95Å; T225-D227 VanDerWaalsContact C-N 3.27Å; T225-D227 PolarHBondContact O-N 2.86Å; T225-I228 HydrophobicContact CG2-CD1 4.46Å; T225-I228 PolarHBondContact O-N 2.87Å; T225-V229 PolarHBondContact O-N 2.89Å
226P97.8Very high94.5Very high44 Ų4429.1 Ų29.129%0.28616%0.157SC..THydrogen-bonded Turntrans-62.2-32.1-167.923.7-34.7000113.6R118 R119 D223 T224 I228R118-P226 CarbonylContact C-O 3.43Å; R118-P226 VanDerWaalsContact CA-O 3.26Å; R118-P226 WeakPolarHBondContact CA-O 3.42Å; R119-P226 HydrophobicContact CB-CB 3.9Å; R119-P226 PolarHBondContact N-O 2.94Å; D223-P226 WeakPolarHBondContact OD2-CA 3.32Å; T224-P226 VanDerWaalsContact C-CD 3.47Å; T224-P226 WeakPolarHBondContact O-CD 3.47Å; P226-I228 VanDerWaalsContact C-N 3.32Å; P226-I228 PolarHBondContact O-N 3.35Å
227D97.4Very high93.8Very high111 Ų11127.8 Ų27.859%0.59415%0.152SC*.THydrogen-bonded Turntrans-67.7-23.8-179.561.5-36.1000114.6R118 T225R118-D227 WeakPolarHBondContact CG-O 3.37Å; T225-D227 VanDerWaalsContact C-N 3.27Å; T225-D227 PolarHBondContact O-N 2.86Å
228I97.7Very high93.2Very high90 Ų9027 Ų2746%0.46214%0.144SC..THydrogen-bonded Turntrans-122.9-1.4-17862.8162.8000114.5K152 T225 P226K152-I228 WeakPolarHBondContact CB-O 3.24Å; T225-I228 HydrophobicContact CG2-CD1 4.46Å; T225-I228 PolarHBondContact O-N 2.87Å; P226-I228 VanDerWaalsContact C-N 3.32Å; P226-I228 PolarHBondContact O-N 3.35Å
229V98.4Very high92.2Very high0 Ų030.2 Ų30.20%015%0.154CC..  trans-66.1137.1-177.573.90000111.2K117 R118 R119 I150 K152 D223 T225 Y231K117-V229 WeakPolarHBondContact CA-O 3.39Å; R118-V229 PolarHBondContact N-O 2.98Å; R119-V229 HydrophobicContact CB-CG1 4.13Å; I150-V229 HydrophobicContact CG2-CG2 4.19Å; K152-V229 WeakPolarHBondContact O-CA 3.35Å; K152-V229 WeakPolarHBondContact O-CG2 3.47Å; D223-V229 HydrophobicContact CB-CB 4.2Å; D223-V229 HydrophobicContact CB-CG1 4.49Å; D223-V229 HydrophobicContact CB-CG2 3.8Å; T225-V229 PolarHBondContact O-N 2.89Å; V229-Y231 HydrophobicContact CB-CE2 4.19Å; V229-Y231 HydrophobicContact CG1-CD2 4.23Å; V229-Y231 HydrophobicContact CG1-CE2 3.69Å; V229-Y231 HydrophobicContact CG2-CD2 3.95Å; V229-Y231 HydrophobicContact CG2-CE1 4.3Å; V229-Y231 HydrophobicContact CG2-CE2 3.38Å
230E98.3Very high91Very high30 Ų3031.6 Ų31.614%0.1416%0.16CC..EExtended strand (participates in β ladder)trans-130.4121.8175.5-62.8-169.5-161.700109.6K117 I150 Q151 K152K117-E230 HydrophobicContact CB-CG 4.25Å; K117-E230 HydrophobicContact CD-CB 4.42Å; K117-E230 HydrophobicContact CD-CG 3.77Å; K117-E230 VanDerWaalsContact CE-OE2 3.29Å; K117-E230 WeakPolarHBondContact CE-OE2 3.49Å; K117-E230 HydrophobicContact CG-CB 4.19Å; K117-E230 HydrophobicContact CG-CG 3.87Å; K117-E230 IonicContact NZ-OE1 3.24Å; K117-E230 IonicContact NZ-OE2 3.65Å; K117-E230 PolarHBondContact NZ-OE2 2.8Å; I150-E230 CarbonylContact C-O 3.6Å; Q151-E230 HydrophobicContact CB-CB 4.1Å; Q151-E230 PolarHBondContact N-O 2.96Å; K152-E230 HydrophobicContact CB-CB 4.1Å; K152-E230 HydrophobicContact CB-CG 4.07Å; K152-E230 HydrophobicContact CD-CG 4.13Å; K152-E230 WeakPolarHBondContact CD-OE1 3.44Å; K152-E230 VanDerWaalsContact CE-OE1 3.23Å; K152-E230 WeakPolarHBondContact CE-OE1 3.45Å; K152-E230 HydrophobicContact CG-CB 4.39Å; K152-E230 HydrophobicContact CG-CG 4.24Å; K152-E230 IonicContact NZ-OE1 2.78Å; K152-E230 PolarHBondContact NZ-OE1 3.11Å; K152-E230 IonicContact NZ-OE2 3.21Å; K152-E230 PolarHBondContact O-N 3.16Å
231Y98.2Very high90.5Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-112.4134.6178.4-63.6-83.5000110.4F28 A116 F125 F148 I149 I150 Y220 D223 V229F28-Y231 HydrophobicContact CE1-CD2 4.09Å; F28-Y231 AromaticContact CE1-CE2 3.98Å; F28-Y231 HydrophobicContact CE1-CE2 3.98Å; F28-Y231 HydrophobicContact CZ-CE2 4.37Å; A116-Y231 PolarHBondContact N-O 2.77Å; A116-Y231 VanDerWaalsContact N-O 3.1Å; A116-Y231 PolarHBondContact O-N 3.36Å; F125-Y231 HydrophobicContact CB-CD1 4Å; F125-Y231 HydrophobicContact CB-CD2 4.13Å; F125-Y231 HydrophobicContact CB-CE1 3.7Å; F125-Y231 HydrophobicContact CB-CE2 3.84Å; F125-Y231 HydrophobicContact CB-CG 4.19Å; F125-Y231 AromaticContact CD1-CD1 3.65Å; F125-Y231 HydrophobicContact CD1-CD1 3.65Å; F125-Y231 HydrophobicContact CD1-CE1 4.1Å; F125-Y231 AromaticContact CD1-CG 3.95Å; F125-Y231 HydrophobicContact CD1-CG 3.95Å; F125-Y231 HydrophobicContact CD2-CD1 4.42Å; F125-Y231 HydrophobicContact CD2-CD2 4.03Å; F125-Y231 AromaticContact CD2-CG 3.95Å; F125-Y231 HydrophobicContact CD2-CG 3.95Å; F125-Y231 HydrophobicContact CE1-CD1 4.2Å; F125-Y231 HydrophobicContact CE1-CG 4.29Å; F125-Y231 HydrophobicContact CE2-CG 4.31Å; F125-Y231 AromaticContact CG-CD1 3.77Å; F125-Y231 HydrophobicContact CG-CD1 3.77Å; F125-Y231 HydrophobicContact CG-CD2 4.04Å; F125-Y231 HydrophobicContact CG-CE1 4.02Å; F125-Y231 HydrophobicContact CG-CE2 4.28Å; F125-Y231 AromaticContact CG-CG 3.77Å; F125-Y231 HydrophobicContact CG-CG 3.77Å; F125-Y231 HydrophobicContact CZ-CG 4.47Å; F148-Y231 AromaticContact CD2-CD1 3.81Å; F148-Y231 HydrophobicContact CD2-CD1 3.81Å; F148-Y231 HydrophobicContact CD2-CE1 4.41Å; F148-Y231 AromaticContact CE2-CD1 3.69Å; F148-Y231 HydrophobicContact CE2-CD1 3.69Å; F148-Y231 AromaticContact CE2-CE1 3.82Å; F148-Y231 HydrophobicContact CE2-CE1 3.82Å; I149-Y231 WeakPolarHBondContact O-CA 3.43Å; I150-Y231 HydrophobicContact CD1-CD1 4.48Å; I150-Y231 HydrophobicContact CD1-CE1 3.84Å; I150-Y231 HydrophobicContact CG1-CD1 3.88Å; I150-Y231 HydrophobicContact CG1-CE1 3.74Å; I150-Y231 HydrophobicContact CG2-CE1 4.44Å; Y220-Y231 PolarHBondContact OH-OH 2.91Å; D223-Y231 WeakPolarHBondContact CB-OH 3.42Å; D223-Y231 PolarHBondContact OD1-OH 2.94Å; V229-Y231 HydrophobicContact CB-CE2 4.19Å; V229-Y231 HydrophobicContact CG1-CD2 4.23Å; V229-Y231 HydrophobicContact CG1-CE2 3.69Å; V229-Y231 HydrophobicContact CG2-CD2 3.95Å; V229-Y231 HydrophobicContact CG2-CE1 4.3Å; V229-Y231 HydrophobicContact CG2-CE2 3.38Å
232L92.6Very high89.9Confident19 Ų1930.5 Ų30.510%0.09916%0.155CC..EExtended strand (participates in β ladder)trans-129.1109.2169.5173.561.7000109.3E113 V114 K115 F148 I149 Q151 Y234E113-L232 HydrophobicContact CG-CD1 3.89Å; V114-L232 WeakPolarHBondContact O-CA 3.46Å; K115-L232 HydrophobicContact CD-CD1 4.26Å; K115-L232 HydrophobicContact CG-CD1 3.59Å; F148-L232 CarbonylContact C-O 3.38Å; F148-L232 VanDerWaalsContact CA-O 3.24Å; F148-L232 WeakPolarHBondContact CA-O 3.38Å; F148-L232 WeakPolarHBondContact CB-O 3.25Å; I149-L232 HydrophobicContact CD1-CD2 4.3Å; I149-L232 PolarHBondContact N-O 3.47Å; I149-L232 PolarHBondContact O-N 2.95Å; Q151-L232 HydrophobicContact CG-CB 4.08Å; L232-Y234 HydrophobicContact CD1-CE2 4.3Å; L232-Y234 HydrophobicContact CD2-CE2 4.28Å; L232-Y234 HydrophobicContact CG-CE2 4.04Å
233G90.6Very high89.5Confident0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-121.5152.9-178.200000114.6E113 V114 T147E113-G233 CarbonylContact C-O 2.86Å; E113-G233 WeakPolarHBondContact CA-O 3.38Å; V114-G233 PolarHBondContact N-O 3.04Å; V114-G233 PolarHBondContact O-N 2.84Å; T147-G233 WeakPolarHBondContact O-CA 3.41Å
234Y82.6Confident88.8Confident20 Ų2026.5 Ų26.58%0.07814%0.139CC..EExtended strand (participates in β ladder)trans-127.8117.6175.9-63.4-70.6000108.7P39 F46 V111 I112 E113 G146 T147 L232P39-Y234 HydrophobicContact CG-CD1 4.23Å; P39-Y234 HydrophobicContact CG-CD2 4.01Å; P39-Y234 HydrophobicContact CG-CE1 3.93Å; P39-Y234 HydrophobicContact CG-CE2 3.71Å; P39-Y234 HydrophobicContact CG-CG 4.27Å; F46-Y234 HydrophobicContact CE2-CD2 4.3Å; F46-Y234 HydrophobicContact CE2-CE2 4.22Å; F46-Y234 AromaticContact CZ-CD2 3.71Å; F46-Y234 HydrophobicContact CZ-CD2 3.71Å; F46-Y234 AromaticContact CZ-CE2 3.82Å; F46-Y234 HydrophobicContact CZ-CE2 3.82Å; V111-Y234 HydrophobicContact CG2-CD1 3.65Å; V111-Y234 HydrophobicContact CG2-CG 4.26Å; I112-Y234 WeakPolarHBondContact O-CA 3.46Å; E113-Y234 HydrophobicContact CB-CD1 3.96Å; E113-Y234 HydrophobicContact CB-CE1 3.69Å; E113-Y234 HydrophobicContact CG-CD1 4.1Å; E113-Y234 HydrophobicContact CG-CE1 3.48Å; E113-Y234 VanDerWaalsContact CG-CE1 3.48Å; E113-Y234 WeakPolarHBondContact OE1-CE1 3.35Å; E113-Y234 PolarHBondContact OE1-OH 3.46Å; G146-Y234 WeakPolarHBondContact CA-O 3.42Å; T147-Y234 PolarHBondContact N-O 3.44Å; T147-Y234 PolarHBondContact O-N 3.02Å; L232-Y234 HydrophobicContact CD1-CE2 4.3Å; L232-Y234 HydrophobicContact CD2-CE2 4.28Å; L232-Y234 HydrophobicContact CG-CE2 4.04Å
235F85.4Confident88.2Confident0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-133.6157-166.5-60.3-80.7000113.3I112 V114 F125 M129 M144 G145 F148 P192 F194I112-F235 PolarHBondContact N-O 2.87Å; I112-F235 PolarHBondContact O-N 3.02Å; V114-F235 HydrophobicContact CB-CD2 4.22Å; V114-F235 HydrophobicContact CB-CE2 3.99Å; V114-F235 HydrophobicContact CG2-CD2 3.67Å; V114-F235 HydrophobicContact CG2-CE2 3.89Å; F125-F235 HydrophobicContact CE1-CE2 4.25Å; F125-F235 AromaticContact CE1-CZ 3.96Å; F125-F235 HydrophobicContact CE1-CZ 3.96Å; F125-F235 HydrophobicContact CZ-CE2 4.22Å; F125-F235 HydrophobicContact CZ-CZ 4.38Å; M129-F235 HydrophobicContact CE-CE1 4.07Å; M129-F235 HydrophobicContact CE-CE2 4.07Å; M129-F235 HydrophobicContact CE-CZ 3.6Å; M129-F235 HydrophobicContact SD-CD2 4.4Å; M129-F235 HydrophobicContact SD-CE2 3.89Å; M129-F235 HydrophobicContact SD-CZ 4.05Å; M144-F235 HydrophobicContact CE-CB 3.89Å; G145-F235 WeakPolarHBondContact O-CA 3.49Å; F148-F235 HydrophobicContact CB-CZ 4.12Å; F148-F235 HydrophobicContact CD1-CE1 4.45Å; F148-F235 HydrophobicContact CD1-CZ 4.07Å; F148-F235 HydrophobicContact CG-CZ 4.47Å; P192-F235 HydrophobicContact CG-CE1 3.65Å; P192-F235 HydrophobicContact CG-CZ 4.47Å; F194-F235 HydrophobicContact CE1-CD1 4.28Å; F194-F235 HydrophobicContact CE1-CE1 4.18Å
236L78.8Confident87.9Confident17 Ų1728.6 Ų28.69%0.08915%0.145CC..EExtended strand (participates in β ladder)trans-140.6151.4170.5-72.4172.2000112L13 I53 C54 T57 V111 M144 G145L13-L236 HydrophobicContact CD2-CD2 4.33Å; I53-L236 HydrophobicContact CB-CD1 4.3Å; I53-L236 HydrophobicContact CD1-CD1 4.15Å; I53-L236 HydrophobicContact CD1-CG 4.21Å; I53-L236 HydrophobicContact CG1-CD1 3.83Å; I53-L236 HydrophobicContact CG1-CG 4.37Å; I53-L236 VanDerWaalsContact O-CD1 3.31Å; I53-L236 WeakPolarHBondContact O-CD1 3.46Å; C54-L236 HydrophobicContact CB-CD1 4.16Å; C54-L236 VanDerWaalsContact SG-CD1 3.57Å; T57-L236 HydrophobicContact CG2-CB 4.35Å; T57-L236 HydrophobicContact CG2-CD1 3.9Å; V111-L236 HydrophobicContact CB-CD2 4.49Å; V111-L236 HydrophobicContact CG1-CD1 4.26Å; V111-L236 HydrophobicContact CG1-CD2 4.2Å; V111-L236 HydrophobicContact CG1-CG 4.03Å; M144-L236 WeakPolarHBondContact CA-O 3.38Å; G145-L236 PolarHBondContact N-O 3.01Å; G145-L236 VanDerWaalsContact N-O 3.12Å; G145-L236 PolarHBondContact O-N 2.86Å
237P81.4Confident87.5Confident10 Ų1027 Ų277%0.06514%0.135CC..EExtended strand (participates in β ladder)trans-69.7146.5163.431.8-34.8000111.2V10 L13 L16 T57 G143 M144V10-P237 HydrophobicContact CG1-CG 4.36Å; L13-P237 HydrophobicContact CD2-CG 4.18Å; L16-P237 HydrophobicContact CD1-CB 3.98Å; L16-P237 HydrophobicContact CD1-CG 3.74Å; T57-P237 WeakPolarHBondContact CB-O 3.39Å; T57-P237 PolarHBondContact OG1-O 3.03Å; G143-P237 CarbonylContact O-C 3.37Å; G143-P237 WeakPolarHBondContact O-CA 3.34Å; M144-P237 VanDerWaalsContact SD-CA 3.54Å; M144-P237 HydrophobicContact SD-CB 3.94Å
238A80.2Confident87.2Confident5 Ų532 Ų324%0.04115%0.151CC..  trans-88.1133.516800000110.2F8 I59 G143F8-A238 WeakPolarHBondContact CB-O 3.34Å; F8-A238 HydrophobicContact CD2-CB 4.02Å; F8-A238 VanDerWaalsContact CD2-O 3.23Å; F8-A238 WeakPolarHBondContact CD2-O 3.41Å; F8-A238 HydrophobicContact CE2-CB 3.97Å; I59-A238 HydrophobicContact CB-CB 4.48Å; I59-A238 HydrophobicContact CD1-CB 3.77Å; I59-A238 HydrophobicContact CG1-CB 3.76Å; G143-A238 PolarHBondContact O-N 3.47Å
239E70.3Confident86.9Confident83 Ų8335.9 Ų35.939%0.38817%0.168SC..SBendtrans-75.4-32.9175.9-167.1-172.5177.400111.9F8 V10 T57F8-E239 PolarHBondContact N-O 3.12Å; V10-E239 HydrophobicContact CG2-CB 4.37Å; V10-E239 HydrophobicContact CG2-CG 4.24Å; T57-E239 WeakPolarHBondContact O-CB 3.33Å; T57-E239 PolarHBondContact O-N 3.41Å; T57-E239 VanDerWaalsContact O-N 3.14Å; T57-E239 PolarHBondContact OG1-N 2.69Å
240F71.2Confident86.7Confident37 Ų3739.7 Ų39.716%0.16219%0.191CC..EExtended strand (participates in β ladder)trans-134.1148.9-177.1-59.2-79.9000113E5 F6 F8 R58 I59 Y242E5-F240 HydrophobicContact CG-CD1 4.41Å; F6-F240 WeakPolarHBondContact O-CA 3.2Å; F8-F240 VanDerWaalsContact CD2-C 3.46Å; R58-F240 WeakPolarHBondContact CA-O 3.13Å; R58-F240 HydrophobicContact CB-CB 4.2Å; I59-F240 PolarHBondContact N-O 2.65Å; F240-Y242 HydrophobicContact CB-CD2 4.22Å; F240-Y242 HydrophobicContact CB-CE2 3.62Å; F240-Y242 HydrophobicContact CG-CE2 4.34Å
241L88.7Confident86.5Confident2 Ų240.9 Ų40.91%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-104128.8162.6177.965.6000109.1F6 F8 I59 P199 F201 L203F6-L241 HydrophobicContact CB-CB 4.24Å; F6-L241 HydrophobicContact CD1-CB 4.1Å; F6-L241 HydrophobicContact CD1-CD2 4.43Å; F6-L241 PolarHBondContact N-O 3.29Å; F6-L241 PolarHBondContact O-N 2.78Å; F8-L241 HydrophobicContact CD2-CB 4.33Å; F8-L241 HydrophobicContact CE1-CB 4.31Å; F8-L241 HydrophobicContact CE2-CB 3.62Å; F8-L241 HydrophobicContact CZ-CB 3.62Å; F8-L241 HydrophobicContact CZ-CD1 4.3Å; F8-L241 HydrophobicContact CZ-CD2 4.41Å; F8-L241 HydrophobicContact CZ-CG 4.33Å; I59-L241 HydrophobicContact CB-CD1 4.34Å; I59-L241 HydrophobicContact CG2-CD1 3.9Å; P199-L241 HydrophobicContact CG-CD2 4.49Å; F201-L241 HydrophobicContact CB-CD2 4.44Å; F201-L241 HydrophobicContact CD2-CD2 3.72Å; F201-L241 HydrophobicContact CE2-CD2 4.31Å; F201-L241 HydrophobicContact CG-CD2 4.26Å; L203-L241 HydrophobicContact CD1-CD1 4.45Å; L203-L241 HydrophobicContact CD1-CD2 3.78Å; L203-L241 HydrophobicContact CD2-CD1 4.28Å; L203-L241 HydrophobicContact CD2-CD2 4.19Å
242Y84.2Confident86.3Confident3 Ų345.4 Ų45.41%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-111.2113.3167.8-68.3-85.3000109.4A4 E5 R58 I59 E61 I87 F240A4-Y242 WeakPolarHBondContact O-CA 3.4Å; E5-Y242 HydrophobicContact CB-CD1 4.2Å; E5-Y242 HydrophobicContact CB-CE1 3.81Å; E5-Y242 HydrophobicContact CG-CD1 4.43Å; E5-Y242 HydrophobicContact CG-CE1 3.68Å; E5-Y242 WeakPolarHBondContact OE2-CE1 3.2Å; E5-Y242 PolarHBondContact OE2-OH 2.72Å; R58-Y242 HydrophobicContact CB-CD2 4.12Å; R58-Y242 HydrophobicContact CB-CE2 3.9Å; R58-Y242 HydrophobicContact CG-CD2 4.49Å; R58-Y242 HydrophobicContact CG-CE2 4.3Å; R58-Y242 PolarHBondContact NH1-OH 2.88Å; I59-Y242 PolarHBondContact O-N 2.75Å; E61-Y242 PolarHBondContact N-O 3.14Å; I87-Y242 HydrophobicContact CB-CD1 4.35Å; I87-Y242 HydrophobicContact CB-CD2 3.79Å; I87-Y242 HydrophobicContact CB-CE2 4.03Å; I87-Y242 HydrophobicContact CB-CG 3.96Å; I87-Y242 HydrophobicContact CG2-CD1 4.26Å; I87-Y242 HydrophobicContact CG2-CD2 3.94Å; I87-Y242 HydrophobicContact CG2-CG 3.71Å; F240-Y242 HydrophobicContact CB-CD2 4.22Å; F240-Y242 HydrophobicContact CB-CE2 3.62Å; F240-Y242 HydrophobicContact CG-CE2 4.34Å
243R91.3Very high86.3Confident10 Ų1046.3 Ų46.34%0.03823%0.233CC..EExtended strand (participates in β ladder)trans-95.7116.3173-169.765171.9113.1-17.9109.1A4 G63 F201 D202 Q246A4-R243 PolarHBondContact N-O 2.91Å; A4-R243 PolarHBondContact O-N 3.24Å; A4-R243 VanDerWaalsContact O-N 3.15Å; G63-R243 PolarHBondContact O-NH1 3.12Å; G63-R243 PolarHBondContact O-NH2 3.45Å; F201-R243 HydrophobicContact CB-CB 4.33Å; F201-R243 HydrophobicContact CB-CG 4.09Å; F201-R243 HydrophobicContact CD1-CB 3.98Å; F201-R243 HydrophobicContact CD1-CG 4.22Å; F201-R243 HydrophobicContact CG-CB 4.34Å; F201-R243 PolarHBondContact O-NE 3.36Å; D202-R243 PolarHBondContact O-NH2 3.07Å; R243-Q246 HydrophobicContact CG-CB 4.03Å; R243-Q246 HydrophobicContact CG-CG 4.48Å
244I83.2Confident86.2Confident0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-120129.7-175.9-56.9-178.1000109.1M1 C3 E61 V62 G63 I87 Q246M1-I244 HydrophobicContact CB-CG2 3.82Å; M1-I244 HydrophobicContact SD-CG2 4.21Å; C3-I244 HydrophobicContact CB-CG1 4.17Å; E61-I244 PolarHBondContact O-N 3.26Å; V62-I244 HydrophobicContact CG1-CG2 4.48Å; V62-I244 HydrophobicContact CG2-CB 4.42Å; V62-I244 HydrophobicContact CG2-CD1 4.29Å; G63-I244 PolarHBondContact N-O 2.64Å; G63-I244 VanDerWaalsContact N-O 3.11Å; I87-I244 HydrophobicContact CG2-CD1 4.03Å; I244-Q246 VanDerWaalsContact C-N 3.34Å; I244-Q246 PolarHBondContact O-N 2.7Å
245D86.1Confident86.5Confident38 Ų3849.2 Ų49.220%0.20325%0.248CC..SBendtrans56.543.8173-163.936.9000113.2A2 Y67 K76 Y78A2-D245 PolarHBondContact O-N 2.74Å; Y67-D245 VanDerWaalsContact CE2-OD2 3.25Å; Y67-D245 WeakPolarHBondContact CE2-OD2 3.1Å; Y67-D245 PolarHBondContact OH-O 2.77Å; Y67-D245 PolarHBondContact OH-OD1 3.46Å; K76-D245 IonicContact NZ-OD1 3.05Å; K76-D245 PolarHBondContact NZ-OD1 3.32Å; K76-D245 IonicContact NZ-OD2 2.65Å; K76-D245 PolarHBondContact NZ-OD2 3.15Å; Y78-D245 PolarHBondContact OH-OD2 2.84Å
246Q92.5Very high86.1Confident81 Ų8154.4 Ų54.438%0.37928%0.275SS..  trans-56.5132.2178-175.2177-900110.9F201 R243 I244 K248F201-Q246 VanDerWaalsContact O-CD 3.3Å; F201-Q246 PolarHBondContact O-NE2 2.93Å; R243-Q246 HydrophobicContact CG-CB 4.03Å; R243-Q246 HydrophobicContact CG-CG 4.48Å; I244-Q246 VanDerWaalsContact C-N 3.34Å; I244-Q246 PolarHBondContact O-N 2.7Å; Q246-K248 PolarHBondContact O-N 3Å
247P88.3Confident86.4Confident12 Ų1256.3 Ų56.38%0.07828%0.284CS..  trans-55.5134.9174-26.535.7000112.4P66 E249P66-P247 HydrophobicContact CB-CB 3.98Å; P66-P247 HydrophobicContact CB-CG 3.93Å; P66-P247 HydrophobicContact CG-CB 4.04Å; P66-P247 HydrophobicContact CG-CG 3.8Å; P247-E249 VanDerWaalsContact CB-O 3.22Å; P247-E249 WeakPolarHBondContact CB-O 3.25Å
248K91.6Very high86.7Confident214 Ų21458.7 Ų58.793%0.9330%0.296SS*.SBendtrans-76.6-28.1173.6-68.5-172.4176.5-174.60112.8Q246Q246-K248 PolarHBondContact O-N 3Å
249E92.3Very high87Confident173 Ų17361.7 Ų61.781%0.80831%0.31SS*.SBendtrans-115132.4175.2-68.4164.5-134.300106.3P247P247-E249 VanDerWaalsContact CB-O 3.22Å; P247-E249 WeakPolarHBondContact CB-O 3.25Å
250T93.9Very high88Confident80 Ų8060.4 Ų60.449%0.49131%0.306SS..  trans-143.1160.5-173.5-168.90000112.3D202 R255D202-T250 VanDerWaalsContact CG-OG1 3.31Å; D202-T250 PolarHBondContact OD1-OG1 2.65Å; D202-T250 VanDerWaalsContact OD2-CB 3.28Å; D202-T250 WeakPolarHBondContact OD2-CB 3.22Å; D202-T250 PolarHBondContact OD2-OG1 3.05Å; T250-R255 PolarHBondContact OG1-NH2 3.44Å; T250-R255 VanDerWaalsContact OG1-NH2 3.12Å
251H94.3Very high89.1Confident55 Ų5561.9 Ų61.926%0.25531%0.314SS..  trans-150.2159179.755.374.2000110.3I253 R255H251-I253 HydrophobicContact CB-CD1 4.36Å; H251-I253 PolarHBondContact CE1-O 3.18Å; H251-I253 PolarHBondContact ND1-N 3.22Å; H251-I253 PolarHBondContact ND1-O 2.98Å; H251-I253 VanDerWaalsContact ND1-O 3.12Å; H251-R255 PolarHBondContact O-NE 3.27Å; H251-R255 VanDerWaalsContact O-NE 3.14Å; H251-R255 PolarHBondContact O-NH2 2.57Å
252S92.4Very high89.1Confident95 Ų9565.9 Ų65.966%0.66434%0.335SS*.SBendtrans-83.1-12.8175.653.60000114.4R255S252-R255 WeakPolarHBondContact O-CG 3.32Å
253I93.6Very high89.5Confident38 Ų3870.4 Ų70.420%0.19536%0.358CS..THydrogen-bonded Turntrans-63.4142.2-176.8-58.6151.3000111.4N170 D172 V175 H251N170-I253 WeakPolarHBondContact O-CD1 3.27Å; D172-I253 WeakPolarHBondContact OD1-CA 3.26Å; V175-I253 HydrophobicContact CG2-CG2 3.91Å; H251-I253 HydrophobicContact CB-CD1 4.36Å; H251-I253 PolarHBondContact CE1-O 3.18Å; H251-I253 PolarHBondContact ND1-N 3.22Å; H251-I253 PolarHBondContact ND1-O 2.98Å; H251-I253 VanDerWaalsContact ND1-O 3.12Å
254G87.4Confident89.3Confident13 Ų1375 Ų7513%0.13438%0.382CS..THydrogen-bonded Turntrans76.229.7172.700000114.1D172 R204D172-G254 PolarHBondContact OD1-N 3.46Å; R204-G254 PolarHBondContact NH1-O 3.14Å
255R89.1Confident89.8Confident68 Ų6881.3 Ų81.326%0.25741%0.414SS..  trans-104.74.2-177.9-64.7-170.5-170.4-145.24.6115.1D202 L203 R204 T250 H251 S252D202-R255 IonicContact OD1-CZ 2.68Å; D202-R255 IonicContact OD1-NH1 2.92Å; D202-R255 PolarHBondContact OD1-NH1 2.79Å; D202-R255 IonicContact OD1-NH2 3.98Å; D202-R255 PolarHBondContact OD1-NH2 2.78Å; D202-R255 IonicContact OD2-NH2 2.65Å; D202-R255 PolarHBondContact OD2-NH2 2.8Å; L203-R255 PolarHBondContact O-NH1 2.96Å; R204-R255 PolarHBondContact NE-O 3.41Å; R204-R255 VanDerWaalsContact NE-O 3.11Å; R204-R255 PolarHBondContact NH1-O 3Å; R204-R255 PolarHBondContact NH2-O 3.35Å; R204-R255 VanDerWaalsContact NH2-O 3.1Å; T250-R255 PolarHBondContact OG1-NH2 3.44Å; T250-R255 VanDerWaalsContact OG1-NH2 3.12Å; H251-R255 PolarHBondContact O-NE 3.27Å; H251-R255 VanDerWaalsContact O-NE 3.14Å; H251-R255 PolarHBondContact O-NH2 2.57Å; S252-R255 WeakPolarHBondContact O-CG 3.32Å
256D76.8Confident90.2Very high108 Ų10885.2 Ų85.258%0.57843%0.433SS*.  trans-79.20167.9-72.75000112.5R204 H219 H221R204-D256 PolarHBondContact NH1-O 2.89Å; R204-D256 PolarHBondContact NH2-O 2.83Å; R204-D256 PolarHBondContact NH2-OXT 2.74Å; H219-D256 PolarHBondContact NE2-OXT 3.1Å; H221-D256 VanDerWaalsContact NE2-C 3.33Å; H221-D256 WeakPolarHBondContact NE2-CB 3.28Å; H221-D256 PolarHBondContact NE2-OXT 3.45Å; H221-D256 VanDerWaalsContact NE2-OXT 3.15Å

Retrieved 256 of 256 residues in 115.4 ms (Link to these results)

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