A0A087XF21_POEFO Loading...

RAB39B, member RAS onco family

AlphaFold DB (A0A3P9NLS2), UniProt , Accession A0A087XF21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 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
1M50.8Low85.2Confident195 Ų19563.3 Ų63.396%0.96130%0.302SS*.  0123.80-67.2179.5-150.600106.7V194M1-V194 HydrophobicContact CB-CG1 4.17Å; M1-V194 HydrophobicContact SD-CG1 4.25Å
2E61.8Low86.2Confident171 Ų17158 Ų5880%0.79928%0.277SS*.  trans-83123.2-177.4-71-178.5171.900110.1I4E2-I4 PolarHBondContact O-N 2.78Å
3T66.8Low87.1Confident52 Ų5253.5 Ų53.532%0.31926%0.256SS..  trans-60130.6168.140.80000109.6W5 V194T3-W5 WeakPolarHBondContact CB-O 3.49Å; T3-W5 PolarHBondContact O-N 2.7Å; T3-V194 HydrophobicContact CG2-CG2 3.64Å
4I85.8Confident87.9Confident61 Ų6149.7 Ų49.731%0.31324%0.237SC..SBendtrans-63-35.3179.2-55.4176.4000110.3E2 L49 R57 P195E2-I4 PolarHBondContact O-N 2.78Å; I4-L49 HydrophobicContact CG2-CD1 4.47Å; I4-R57 PolarHBondContact O-NE 3.07Å; I4-P195 HydrophobicContact CD1-CG 3.72Å; I4-P195 HydrophobicContact CG1-CG 3.99Å
5W91.9Very high88.5Confident35 Ų3546.4 Ų46.413%0.13322%0.222CC..  trans-143.8153171.957.783.7000109.8T3 Y7 L49 R57 K59 G192 F193T3-W5 WeakPolarHBondContact CB-O 3.49Å; T3-W5 PolarHBondContact O-N 2.7Å; W5-Y7 VanDerWaalsContact CD1-C 3.49Å; W5-L49 HydrophobicContact CB-CD2 3.85Å; W5-L49 HydrophobicContact CD2-CD2 4.23Å; W5-L49 HydrophobicContact CE3-CD2 3.86Å; W5-L49 HydrophobicContact CG-CD2 4.26Å; W5-R57 CarbonylContact C-O 3.31Å; W5-R57 VanDerWaalsContact CA-O 3.27Å; W5-R57 WeakPolarHBondContact CA-O 3.32Å; W5-R57 HydrophobicContact CB-CB 4.38Å; W5-R57 WeakPolarHBondContact CB-O 3.44Å; W5-K59 HydrophobicContact CB-CB 4.38Å; W5-K59 HydrophobicContact CD2-CB 3.91Å; W5-K59 HydrophobicContact CD2-CD 4.1Å; W5-K59 HydrophobicContact CE3-CB 4.49Å; W5-K59 HydrophobicContact CE3-CD 4.27Å; W5-K59 HydrophobicContact CG-CB 3.83Å; W5-K59 HydrophobicContact CH2-CD 3.98Å; W5-K59 HydrophobicContact CZ2-CD 3.73Å; W5-K59 HydrophobicContact CZ3-CD 4.24Å; W5-G192 WeakPolarHBondContact O-CA 3.1Å; W5-F193 HydrophobicContact CH2-CB 3.74Å; W5-F193 HydrophobicContact CH2-CD1 4.46Å; W5-F193 HydrophobicContact CH2-CG 4.36Å; W5-F193 HydrophobicContact CZ2-CB 3.32Å; W5-F193 HydrophobicContact CZ2-CG 4.29Å
6L93.5Very high89Confident59 Ų5944.8 Ų44.831%0.30922%0.215SC..SBendtrans-76.8-42.2-179.9-64175.8000112.5K56 R57 I58 F172 G192L6-K56 HydrophobicContact CD1-CB 3.8Å; L6-K56 HydrophobicContact CD1-CD 4.19Å; L6-K56 HydrophobicContact CD1-CG 3.84Å; L6-R57 PolarHBondContact N-O 2.94Å; L6-I58 HydrophobicContact CB-CD1 4.1Å; L6-F172 HydrophobicContact CD1-CE2 4.23Å; L6-G192 VanDerWaalsContact O-CA 3.28Å; L6-G192 WeakPolarHBondContact O-CA 3.27Å; L6-G192 PolarHBondContact O-N 3.03Å
7Y95.8Very high89.3Confident63 Ų6344.4 Ų44.425%0.24722%0.217CC..EExtended strand (participates in β ladder)trans-141.3158.4178.5-60.9-78.3000111W5 F9 I58 K59 F172 V175 I182 V189 K190W5-Y7 VanDerWaalsContact CD1-C 3.49Å; Y7-F9 VanDerWaalsContact CB-CE1 3.45Å; Y7-F9 HydrophobicContact CD2-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.4Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 WeakPolarHBondContact O-CA 3.43Å; Y7-I58 WeakPolarHBondContact O-CG2 3.1Å; Y7-K59 PolarHBondContact O-N 3.2Å; Y7-F172 AromaticContact CD2-CD2 3.99Å; Y7-F172 HydrophobicContact CD2-CD2 3.99Å; Y7-F172 HydrophobicContact CD2-CE2 4.08Å; Y7-F172 HydrophobicContact CE2-CD2 4.08Å; Y7-F172 AromaticContact CE2-CE2 3.85Å; Y7-F172 HydrophobicContact CE2-CE2 3.85Å; Y7-V175 HydrophobicContact CD1-CG1 4.37Å; Y7-V175 HydrophobicContact CE1-CG1 3.81Å; Y7-V175 HydrophobicContact CE2-CG1 4.08Å; Y7-I182 HydrophobicContact CD1-CD1 4.37Å; Y7-I182 HydrophobicContact CE1-CD1 4.12Å; Y7-V189 HydrophobicContact CD1-CG1 4.05Å; Y7-K190 CarbonylContact C-O 3.51Å; Y7-K190 VanDerWaalsContact CA-O 3.23Å; Y7-K190 WeakPolarHBondContact CA-O 3.5Å
8Q97.2Very high89.6Confident20 Ų2047.4 Ų47.49%0.09324%0.239CC..EExtended strand (participates in β ladder)trans-112.3127.2164.4-177.6-174.7-87.700108.9K59 Q61 V189 K190Q8-K59 CarbonylContact C-O 3.59Å; Q8-K59 WeakPolarHBondContact CA-O 3.49Å; Q8-K59 HydrophobicContact CB-CB 4.22Å; Q8-K59 HydrophobicContact CG-CB 4.15Å; Q8-K59 HydrophobicContact CG-CD 4.26Å; Q8-K59 HydrophobicContact CG-CG 4.2Å; Q8-Q61 HydrophobicContact CG-CG 4.02Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.31Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.09Å; Q8-V189 WeakPolarHBondContact O-CA 3.2Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 3.16Å; Q8-K190 PolarHBondContact O-N 3.38Å
9F98Very high89.9Confident0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans-112136.2176.8-61.1-22.2000110.9Y7 L11 I58 K59 L60 Q61 V83 T168 I171 F172 V175 G188 V189Y7-F9 VanDerWaalsContact CB-CE1 3.45Å; Y7-F9 HydrophobicContact CD2-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.4Å; F9-L11 HydrophobicContact CB-CD2 4.46Å; F9-I58 HydrophobicContact CD1-CG2 4.48Å; F9-I58 HydrophobicContact CD2-CG2 3.56Å; F9-I58 HydrophobicContact CE2-CG2 3.69Å; F9-I58 HydrophobicContact CG-CG2 3.97Å; F9-I58 HydrophobicContact CZ-CD1 4.47Å; F9-I58 HydrophobicContact CZ-CG2 4.21Å; F9-K59 PolarHBondContact N-O 3.21Å; F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; F9-Q61 PolarHBondContact O-N 3.49Å; F9-V83 HydrophobicContact CB-CG1 3.83Å; F9-V83 HydrophobicContact CD1-CG1 4.39Å; F9-V83 HydrophobicContact CG-CG1 4.2Å; F9-T168 HydrophobicContact CD2-CG2 3.96Å; F9-T168 HydrophobicContact CE2-CG2 3.94Å; F9-I171 HydrophobicContact CD1-CG2 4.2Å; F9-I171 HydrophobicContact CD2-CB 4.16Å; F9-I171 HydrophobicContact CD2-CG2 3.81Å; F9-I171 HydrophobicContact CE1-CG2 4.04Å; F9-I171 HydrophobicContact CE2-CB 3.92Å; F9-I171 HydrophobicContact CE2-CG2 3.64Å; F9-I171 HydrophobicContact CG-CG2 4.11Å; F9-I171 HydrophobicContact CZ-CB 4.45Å; F9-I171 HydrophobicContact CZ-CG2 3.78Å; F9-F172 HydrophobicContact CE2-CB 4.25Å; F9-F172 HydrophobicContact CZ-CB 4.25Å; F9-V175 HydrophobicContact CE1-CG2 4.26Å; F9-V175 HydrophobicContact CZ-CG2 4.43Å; F9-G188 WeakPolarHBondContact CA-O 3.3Å; F9-V189 HydrophobicContact CD1-CB 4.45Å; F9-V189 HydrophobicContact CD1-CG1 4.03Å; F9-V189 HydrophobicContact CD1-CG2 4.08Å; F9-V189 HydrophobicContact CE1-CG1 3.81Å; F9-V189 HydrophobicContact CE1-CG2 4.24Å
10R97.6Very high90.3Very high40 Ų4043.3 Ų43.315%0.15122%0.222CC..EExtended strand (participates in β ladder)trans-92.8118.8167.8-76.3-170.6174.2170.914.1110.8Q61 N81 S82 V83 G84 E187 G188R10-Q61 CarbonylContact C-O 3.49Å; R10-Q61 WeakPolarHBondContact CA-O 3.49Å; R10-Q61 HydrophobicContact CG-CB 3.95Å; R10-N81 WeakPolarHBondContact CB-O 3.39Å; R10-N81 WeakPolarHBondContact CD-O 3.42Å; R10-S82 WeakPolarHBondContact O-CA 3.4Å; R10-V83 WeakPolarHBondContact O-CG1 3.47Å; R10-V83 PolarHBondContact O-N 3.12Å; R10-G84 PolarHBondContact O-N 3.37Å; R10-E187 VanDerWaalsContact CD-O 3.23Å; R10-E187 WeakPolarHBondContact CD-O 3.41Å; R10-E187 WeakPolarHBondContact CG-O 3.22Å; R10-E187 IonicContact CZ-OE2 3.32Å; R10-E187 IonicContact NH1-OE2 3.67Å; R10-E187 IonicContact NH2-OE2 2.69Å; R10-E187 PolarHBondContact NH2-OE2 2.73Å; R10-G188 PolarHBondContact N-O 2.69Å
11L98.4Very high90.6Very high0 Ų041.7 Ų41.70%021%0.213CC..EExtended strand (participates in β ladder)trans-109144.8176.2-53.7-174.2000110F9 L60 Q61 I62 W63 G84 F164 L167 I171F9-L11 HydrophobicContact CB-CD2 4.46Å; L11-L60 HydrophobicContact CD1-CB 4.45Å; L11-L60 HydrophobicContact CD1-CD1 4.02Å; L11-L60 HydrophobicContact CD1-CD2 4.03Å; L11-L60 HydrophobicContact CD1-CG 4.39Å; L11-L60 HydrophobicContact CG-CD2 4.44Å; L11-Q61 PolarHBondContact N-O 2.54Å; L11-I62 HydrophobicContact CB-CG1 4.4Å; L11-I62 HydrophobicContact CD1-CG1 4.45Å; L11-I62 WeakPolarHBondContact O-CA 3.34Å; L11-W63 PolarHBondContact O-N 2.9Å; L11-G84 VanDerWaalsContact CA-O 3.28Å; L11-G84 WeakPolarHBondContact CA-O 3.47Å; L11-F164 HydrophobicContact CD1-CD1 4.18Å; L11-L167 HydrophobicContact CD1-CD2 4.42Å; L11-L167 HydrophobicContact CD2-CD2 4.22Å; L11-I171 HydrophobicContact CD2-CD1 3.81Å
12I97.3Very high92.8Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-118.9141.4171.3-164.9174.2000110.1I14 W63 T65 T75 Y79 G84 G85 L86 I116I12-I14 HydrophobicContact CD1-CG2 3.93Å; I12-I14 HydrophobicContact CG1-CG2 3.89Å; I12-W63 HydrophobicContact CG1-CB 4.32Å; I12-T65 HydrophobicContact CD1-CG2 3.82Å; I12-T65 HydrophobicContact CG1-CG2 3.54Å; I12-T75 HydrophobicContact CD1-CG2 4.46Å; I12-Y79 HydrophobicContact CD1-CD1 3.68Å; I12-Y79 HydrophobicContact CD1-CE1 3.83Å; I12-G84 PolarHBondContact N-O 2.94Å; I12-G85 CarbonylContact O-C 3.53Å; I12-G85 WeakPolarHBondContact O-CA 3.25Å; I12-L86 PolarHBondContact O-N 3.08Å; I12-I116 HydrophobicContact CG2-CD1 4.47Å
13V97.9Very high94.4Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-113.6117.5174.9-171.70000108.3K21 I25 I62 W63 T65 L86 L88V13-K21 HydrophobicContact CG1-CB 3.78Å; V13-K21 HydrophobicContact CG1-CD 4.1Å; V13-K21 HydrophobicContact CG1-CG 3.89Å; V13-I25 HydrophobicContact CB-CD1 3.8Å; V13-I25 HydrophobicContact CB-CG1 4.42Å; V13-I25 HydrophobicContact CG1-CD1 4.24Å; V13-I25 HydrophobicContact CG2-CD1 3.56Å; V13-I25 HydrophobicContact CG2-CG1 3.81Å; V13-I62 HydrophobicContact CG2-CG2 3.84Å; V13-W63 PolarHBondContact N-O 3.22Å; V13-T65 PolarHBondContact O-OG1 3.42Å; V13-L86 WeakPolarHBondContact CA-O 3.25Å; V13-L86 HydrophobicContact CG1-CB 4.3Å; V13-L86 HydrophobicContact CG2-CB 4.37Å; V13-L86 HydrophobicContact CG2-CD1 4.02Å; V13-L88 HydrophobicContact CG1-CD1 3.7Å; V13-L88 HydrophobicContact CG1-CD2 4.18Å
14I97.4Very high95.9Very high0 Ų023.2 Ų23.20%012%0.124CC..EExtended strand (participates in β ladder)trans-128.1166.1-175.560.4169.8000111.8I12 T65 T75 Y79 L86 L87 L88 W103 A107 F118I12-I14 HydrophobicContact CD1-CG2 3.93Å; I12-I14 HydrophobicContact CG1-CG2 3.89Å; I14-T65 HydrophobicContact CG2-CG2 4.31Å; I14-T75 HydrophobicContact CG2-CG2 4.12Å; I14-Y79 HydrophobicContact CD1-CE1 4.14Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; I14-L86 PolarHBondContact N-O 3.18Å; I14-L87 HydrophobicContact CD1-CD1 4.07Å; I14-L87 HydrophobicContact CG1-CB 4.46Å; I14-L87 HydrophobicContact CG1-CD1 3.86Å; I14-L88 PolarHBondContact O-N 2.77Å; I14-W103 HydrophobicContact CB-CE3 4.11Å; I14-W103 HydrophobicContact CB-CZ3 4.42Å; I14-W103 HydrophobicContact CD1-CB 4.36Å; I14-W103 HydrophobicContact CD1-CE3 4.44Å; I14-A107 HydrophobicContact CD1-CB 4.22Å; I14-F118 HydrophobicContact CD1-CE1 3.64Å; I14-F118 HydrophobicContact CD1-CZ 3.9Å; I14-F118 HydrophobicContact CG1-CE1 4.11Å
15G97.3Very high96.5Very high0 Ų020.3 Ų20.30%011%0.109CC..EExtended strand (participates in β ladder)trans135.7170.4-172.900000111K21 G67 L88 W103G15-K21 PolarHBondContact O-NZ 2.88Å; G15-G67 VanDerWaalsContact O-CA 3.3Å; G15-G67 WeakPolarHBondContact O-CA 3.47Å; G15-L88 WeakPolarHBondContact CA-O 3.5Å; G15-W103 VanDerWaalsContact C-CE2 3.46Å; G15-W103 VanDerWaalsContact O-CZ2 3.3Å; G15-W103 WeakPolarHBondContact O-CZ2 3.46Å
16D96.2Very high96.6Very high21 Ų2123 Ų2311%0.11212%0.119CC..SBendtrans-56.7161.9-176.1-81.57.2000113.2V19 K21 N99 W103D16-V19 HydrophobicContact CB-CG1 3.75Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.31Å; D16-K21 PolarHBondContact O-NZ 3.3Å; D16-N99 PolarHBondContact OD1-ND2 3.49Å; D16-N99 PolarHBondContact OD2-ND2 3.08Å; D16-W103 PolarHBondContact OD1-NE1 3.13Å
17S93.9Very high96.8Very high37 Ų3722.8 Ų22.826%0.25911%0.114SC..THydrogen-bonded Turntrans-56.2153.1167.5-164.70000110.2V19 G67S17-V19 PolarHBondContact O-N 2.85Å; S17-G67 PolarHBondContact N-O 2.68Å; S17-G67 VanDerWaalsContact N-O 3.08Å
18T94.3Very high96.9Very high100 Ų10019.9 Ų19.961%0.61310%0.103SC*.THydrogen-bonded Turntrans62.9-1.2175.678.10000117.8G20 K124T18-G20 PolarHBondContact O-N 2.81Å; T18-K124 WeakPolarHBondContact O-CE 3.43Å; T18-K124 PolarHBondContact O-NZ 2.77Å
19V97.1Very high96.9Very high0 Ų020.7 Ų20.70%011%0.109CC..SBendtrans-67.3-17.4177.1-56.10000114D16 S17 K21 L88 D90 H123D16-V19 HydrophobicContact CB-CG1 3.75Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.31Å; S17-V19 PolarHBondContact O-N 2.85Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.73Å; V19-L88 HydrophobicContact CG2-CB 3.8Å; V19-D90 HydrophobicContact CB-CB 4.19Å; V19-D90 HydrophobicContact CG1-CB 4.2Å; V19-H123 PolarHBondContact O-CD2 2.74Å
20G96.7Very high96.7Very high12 Ų1224.3 Ų24.312%0.12413%0.126CC..SBendtrans107.321.1174.600000116.2T18 S22 C23 L24T18-G20 PolarHBondContact O-N 2.81Å; G20-S22 PolarHBondContact O-N 3.08Å; G20-C23 PolarHBondContact O-N 3.09Å; G20-L24 WeakPolarHBondContact O-CB 3.49Å; G20-L24 PolarHBondContact O-N 2.82Å
21K97.1Very high96.3Very high10 Ų1024.8 Ų24.84%0.04314%0.143CC..Hα-helixtrans-51.8-56.7179.1-57.5-171.9-64.5-73.70113.2V13 G15 D16 V19 C23 L24 I25 T65 G67 L88V13-K21 HydrophobicContact CG1-CB 3.78Å; V13-K21 HydrophobicContact CG1-CD 4.1Å; V13-K21 HydrophobicContact CG1-CG 3.89Å; G15-K21 PolarHBondContact O-NZ 2.88Å; D16-K21 PolarHBondContact O-NZ 3.3Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.73Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.13Å; K21-L24 PolarHBondContact O-N 2.86Å; K21-I25 WeakPolarHBondContact O-CG1 3.45Å; K21-I25 PolarHBondContact O-N 3.02Å; K21-T65 WeakPolarHBondContact CE-O 3.24Å; K21-G67 VanDerWaalsContact NZ-CA 3.33Å; K21-L88 HydrophobicContact CB-CD2 4.33Å; K21-L88 HydrophobicContact CG-CB 4.33Å; K21-L88 HydrophobicContact CG-CD2 3.89Å
22S96.1Very high95.7Very high12 Ų1232.5 Ų32.58%0.08417%0.172CC..Hα-helixtrans-60.6-39.8178.6-42.90000112.4G20 I25 R26 T40 D64G20-S22 PolarHBondContact O-N 3.08Å; S22-I25 PolarHBondContact O-N 2.8Å; S22-R26 WeakPolarHBondContact O-CB 3.39Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.43Å; S22-R26 PolarHBondContact O-N 2.68Å; S22-T40 PolarHBondContact OG-OG1 3.48Å; S22-D64 WeakPolarHBondContact CA-OD2 3.15Å; S22-D64 WeakPolarHBondContact CB-OD2 3.19Å; S22-D64 PolarHBondContact OG-OD1 3.5Å; S22-D64 PolarHBondContact OG-OD2 2.97Å
23C96.8Very high95.2Very high18 Ų1836.2 Ų36.212%0.12219%0.189CC..Hα-helixtrans-65.2-41.8177.5-61.90000111.9G20 K21 R27 F33 A154G20-C23 PolarHBondContact O-N 3.09Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.13Å; C23-R27 VanDerWaalsContact O-CB 3.25Å; C23-R27 WeakPolarHBondContact O-CB 3.49Å; C23-R27 PolarHBondContact O-N 2.88Å; C23-F33 HydrophobicContact CB-CD2 4.43Å; C23-F33 HydrophobicContact CB-CE2 4.35Å; C23-A154 HydrophobicContact CB-CB 3.87Å
24L98Very high94.3Very high0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-62.8-47.1176.3-178.666.9000110.8G20 K21 R27 F28 L86 L88 V121 T152 V160 F164G20-L24 WeakPolarHBondContact O-CB 3.49Å; G20-L24 PolarHBondContact O-N 2.82Å; K21-L24 PolarHBondContact O-N 2.86Å; L24-R27 PolarHBondContact O-N 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 3.06Å; L24-L86 HydrophobicContact CD2-CD2 4.25Å; L24-L88 HydrophobicContact CB-CD2 4.34Å; L24-L88 HydrophobicContact CD2-CD1 4.18Å; L24-L88 HydrophobicContact CD2-CD2 3.75Å; L24-L88 HydrophobicContact CD2-CG 4.31Å; L24-V121 HydrophobicContact CD2-CG1 4.35Å; L24-T152 HydrophobicContact CD1-CG2 4.48Å; L24-V160 HydrophobicContact CD1-CB 4.19Å; L24-V160 HydrophobicContact CD1-CG1 3.84Å; L24-V160 HydrophobicContact CD1-CG2 3.79Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CD2-CZ 4.49Å; L24-F164 HydrophobicContact CG-CE2 4Å; L24-F164 HydrophobicContact CG-CZ 4.37Å
25I97.4Very high93.3Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-64.8-48.4-180-62.8163.7000110.6V13 K21 S22 R27 F28 T29 F46 I62 D64 F164V13-I25 HydrophobicContact CB-CD1 3.8Å; V13-I25 HydrophobicContact CB-CG1 4.42Å; V13-I25 HydrophobicContact CG1-CD1 4.24Å; V13-I25 HydrophobicContact CG2-CD1 3.56Å; V13-I25 HydrophobicContact CG2-CG1 3.81Å; K21-I25 WeakPolarHBondContact O-CG1 3.45Å; K21-I25 PolarHBondContact O-N 3.02Å; S22-I25 PolarHBondContact O-N 2.8Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.37Å; I25-F28 CarbonylContact O-C 3.57Å; I25-F28 WeakPolarHBondContact O-CA 3.19Å; I25-F28 WeakPolarHBondContact O-CB 3.5Å; I25-F28 PolarHBondContact O-N 3.25Å; I25-F28 VanDerWaalsContact O-N 3.1Å; I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 PolarHBondContact O-N 2.97Å; I25-T29 PolarHBondContact O-OG1 2.82Å; I25-F46 HydrophobicContact CG2-CB 3.89Å; I25-F46 HydrophobicContact CG2-CD1 4.14Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE2 3.98Å; I25-F46 HydrophobicContact CG2-CG 3.56Å; I25-I62 HydrophobicContact CD1-CG2 4.03Å; I25-I62 HydrophobicContact CG1-CG2 4.04Å; I25-I62 HydrophobicContact CG2-CG2 4.11Å; I25-D64 HydrophobicContact CD1-CB 3.39Å; I25-F164 HydrophobicContact CG1-CZ 4.29Å
26R95.8Very high92.4Very high90 Ų9052.4 Ų52.434%0.3428%0.279SS..Hα-helixtrans-64.3-37.5178.6-71.3-178.9-174.4-159.92.2112.3S22 F28 T29 E30 G31 R32 F46S22-R26 WeakPolarHBondContact O-CB 3.39Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.43Å; S22-R26 PolarHBondContact O-N 2.68Å; R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.23Å; R26-T29 PolarHBondContact O-N 2.64Å; R26-E30 WeakPolarHBondContact O-CA 3.2Å; R26-E30 VanDerWaalsContact O-CB 3.3Å; R26-E30 WeakPolarHBondContact O-CB 3.29Å; R26-E30 PolarHBondContact O-N 3.06Å; R26-G31 PolarHBondContact O-N 2.84Å; R26-R32 CarbonylContact C-O 3.53Å; R26-F46 HydrophobicContact CG-CE1 4.02Å; R26-F46 HydrophobicContact CG-CZ 4.08Å
27R97.3Very high91.6Very high55 Ų5553.7 Ų53.721%0.20829%0.29CS..Hα-helixtrans-62-41.2173.2177.959.480.2-179.618.1110.7C23 L24 I25 G31 R32 F33 A154 R155 V160C23-R27 VanDerWaalsContact O-CB 3.25Å; C23-R27 WeakPolarHBondContact O-CB 3.49Å; C23-R27 PolarHBondContact O-N 2.88Å; L24-R27 PolarHBondContact O-N 3.32Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.37Å; R27-G31 PolarHBondContact NH1-O 3.26Å; R27-G31 WeakPolarHBondContact O-CA 3.2Å; R27-G31 PolarHBondContact O-N 3.11Å; R27-G31 VanDerWaalsContact O-N 3.1Å; R27-R32 VanDerWaalsContact CA-O 3.23Å; R27-R32 WeakPolarHBondContact CA-O 3.44Å; R27-R32 PolarHBondContact N-O 3.08Å; R27-F33 VanDerWaalsContact CZ-CB 3.46Å; R27-A154 HydrophobicContact CB-CB 4.16Å; R27-A154 PolarHBondContact NE-O 3.23Å; R27-A154 PolarHBondContact NH2-O 2.75Å; R27-R155 PolarHBondContact NH2-O 3.45Å; R27-V160 HydrophobicContact CB-CG1 4.29Å; R27-V160 HydrophobicContact CG-CB 4.34Å; R27-V160 HydrophobicContact CG-CG1 4.01Å; R27-V160 HydrophobicContact CG-CG2 3.99Å
28F97.9Very high91.1Very high3 Ų358.5 Ų58.51%0.01331%0.312CS..Hα-helixtrans-67.6-48.8175.6176.6-110000112.3L24 I25 R26 R48 V50 L60 I62 V160 E161 F164L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 3.06Å; I25-F28 CarbonylContact O-C 3.57Å; I25-F28 WeakPolarHBondContact O-CA 3.19Å; I25-F28 WeakPolarHBondContact O-CB 3.5Å; I25-F28 PolarHBondContact O-N 3.25Å; I25-F28 VanDerWaalsContact O-N 3.1Å; R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.23Å; F28-R48 HydrophobicContact CE1-CB 3.91Å; F28-R48 HydrophobicContact CE1-CG 4.15Å; F28-R48 HydrophobicContact CZ-CB 4.41Å; F28-R48 HydrophobicContact CZ-CG 4.21Å; F28-R48 WeakPolarHBondContact O-CD 3.33Å; F28-R48 PolarHBondContact O-NH1 2.92Å; F28-V50 HydrophobicContact CE2-CG1 4.21Å; F28-V50 HydrophobicContact CZ-CG1 3.55Å; F28-L60 HydrophobicContact CE1-CD1 4.15Å; F28-L60 HydrophobicContact CZ-CD1 4.02Å; F28-I62 HydrophobicContact CD1-CD1 3.76Å; F28-I62 HydrophobicContact CE1-CD1 3.62Å; F28-V160 HydrophobicContact CB-CG1 3.72Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.28Å; F28-F164 HydrophobicContact CB-CD2 3.8Å; F28-F164 HydrophobicContact CB-CE2 3.55Å; F28-F164 HydrophobicContact CB-CZ 4.25Å; F28-F164 HydrophobicContact CD1-CD1 4.08Å; F28-F164 AromaticContact CD1-CD2 3.82Å; F28-F164 HydrophobicContact CD1-CD2 3.82Å; F28-F164 HydrophobicContact CD1-CE1 4.23Å; F28-F164 AromaticContact CD1-CE2 3.99Å; F28-F164 HydrophobicContact CD1-CE2 3.99Å; F28-F164 AromaticContact CD1-CG 3.88Å; F28-F164 HydrophobicContact CD1-CG 3.88Å; F28-F164 HydrophobicContact CD1-CZ 4.19Å; F28-F164 HydrophobicContact CD2-CB 4.04Å; F28-F164 AromaticContact CD2-CD2 3.49Å; F28-F164 HydrophobicContact CD2-CD2 3.49Å; F28-F164 VanDerWaalsContact CD2-CD2 3.49Å; F28-F164 HydrophobicContact CD2-CE2 4.16Å; F28-F164 AromaticContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CE1-CB 4.12Å; F28-F164 HydrophobicContact CE1-CD1 4.05Å; F28-F164 HydrophobicContact CE1-CD2 4.27Å; F28-F164 AromaticContact CE1-CG 3.89Å; F28-F164 HydrophobicContact CE1-CG 3.89Å; F28-F164 HydrophobicContact CE2-CB 3.58Å; F28-F164 AromaticContact CE2-CD2 3.97Å; F28-F164 HydrophobicContact CE2-CD2 3.97Å; F28-F164 AromaticContact CE2-CG 3.91Å; F28-F164 HydrophobicContact CE2-CG 3.91Å; F28-F164 HydrophobicContact CG-CB 4.48Å; F28-F164 HydrophobicContact CG-CD1 4.49Å; F28-F164 AromaticContact CG-CD2 3.4Å; F28-F164 HydrophobicContact CG-CD2 3.4Å; F28-F164 VanDerWaalsContact CG-CD2 3.4Å; F28-F164 AromaticContact CG-CE2 3.64Å; F28-F164 HydrophobicContact CG-CE2 3.64Å; F28-F164 AromaticContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CZ 4.28Å; F28-F164 HydrophobicContact CZ-CB 3.63Å; F28-F164 HydrophobicContact CZ-CD1 4.42Å; F28-F164 HydrophobicContact CZ-CD2 4.32Å; F28-F164 AromaticContact CZ-CG 3.89Å; F28-F164 HydrophobicContact CZ-CG 3.89Å
29T95.9Very high90.6Very high36 Ų3657.4 Ų57.422%0.22131%0.307CS..Hα-helixtrans-84.3-31.2-17155.30000114.1I25 R26 F46 R48 I62I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 PolarHBondContact O-N 2.97Å; I25-T29 PolarHBondContact O-OG1 2.82Å; R26-T29 PolarHBondContact O-N 2.64Å; T29-F46 HydrophobicContact CG2-CB 3.94Å; T29-R48 HydrophobicContact CG2-CB 4.19Å; T29-I62 HydrophobicContact CG2-CD1 4.23Å
30E93.8Very high89.9Confident77 Ų7758.2 Ų58.236%0.3631%0.312SS..Hα-helixtrans-114.7-10.1-173.4-54.6174.3-168.400112.8R26 R32R26-E30 WeakPolarHBondContact O-CA 3.2Å; R26-E30 VanDerWaalsContact O-CB 3.3Å; R26-E30 WeakPolarHBondContact O-CB 3.29Å; R26-E30 PolarHBondContact O-N 3.06Å; E30-R32 HydrophobicContact CB-CB 4.35Å; E30-R32 HydrophobicContact CB-CG 4.38Å; E30-R32 PolarHBondContact O-N 2.64Å; E30-R32 IonicContact OE2-CZ 3.5Å; E30-R32 IonicContact OE2-NE 3.72Å; E30-R32 PolarHBondContact OE2-NE 2.88Å; E30-R32 VanDerWaalsContact OE2-NE 3.11Å; E30-R32 IonicContact OE2-NH2 3.23Å; E30-R32 PolarHBondContact OE2-NH2 3.5Å
31G90.7Very high89.2Confident49 Ų4962.8 Ų62.851%0.50534%0.337SS..SBendtrans67.213.3-173.500000113.3R26 R27R26-G31 PolarHBondContact O-N 2.84Å; R27-G31 PolarHBondContact NH1-O 3.26Å; R27-G31 WeakPolarHBondContact O-CA 3.2Å; R27-G31 PolarHBondContact O-N 3.11Å; R27-G31 VanDerWaalsContact O-N 3.1Å
32R85.8Confident88.5Confident163 Ų16362.7 Ų62.762%0.61534%0.339SS*.  trans-112.8151.8-175.8-64.5-172.7-64.5-164.50.3112R26 R27 E30R26-R32 CarbonylContact C-O 3.53Å; R27-R32 VanDerWaalsContact CA-O 3.23Å; R27-R32 WeakPolarHBondContact CA-O 3.44Å; R27-R32 PolarHBondContact N-O 3.08Å; E30-R32 HydrophobicContact CB-CB 4.35Å; E30-R32 HydrophobicContact CB-CG 4.38Å; E30-R32 PolarHBondContact O-N 2.64Å; E30-R32 IonicContact OE2-CZ 3.5Å; E30-R32 IonicContact OE2-NE 3.72Å; E30-R32 PolarHBondContact OE2-NE 2.88Å; E30-R32 VanDerWaalsContact OE2-NE 3.11Å; E30-R32 IonicContact OE2-NH2 3.23Å; E30-R32 PolarHBondContact OE2-NH2 3.5Å
33F86Confident88Confident78 Ų7863.3 Ų63.334%0.34234%0.343SS..  trans-122.6131.7169.7172.6-101000109.5C23 R27 Q35 A154 R155C23-F33 HydrophobicContact CB-CD2 4.43Å; C23-F33 HydrophobicContact CB-CE2 4.35Å; R27-F33 VanDerWaalsContact CZ-CB 3.46Å; F33-Q35 HydrophobicContact CE1-CB 4.21Å; F33-A154 HydrophobicContact CD2-CB 3.99Å; F33-A154 HydrophobicContact CE2-CB 4.29Å; F33-R155 HydrophobicContact CD1-CG 4.33Å; F33-R155 HydrophobicContact CD2-CB 4.45Å; F33-R155 HydrophobicContact CE1-CB 4.27Å; F33-R155 HydrophobicContact CE1-CG 3.95Å; F33-R155 HydrophobicContact CE2-CB 4.12Å; F33-R155 HydrophobicContact CZ-CB 4.02Å; F33-R155 HydrophobicContact CZ-CG 4.14Å
34A79.8Confident87.7Confident39 Ų3965.7 Ų65.732%0.32235%0.354SS..  trans-104.9121.7172.600000108.5V36A34-V36 VanDerWaalsContact C-N 3.25Å; A34-V36 WeakPolarHBondContact CB-O 3.17Å; A34-V36 PolarHBondContact O-N 3.45Å
35Q75.4Confident87.5Confident180 Ų18070.1 Ų70.184%0.84137%0.374SS*.SBendtrans-67.4-31.5177.9-171.21743.300111.7F33F33-Q35 HydrophobicContact CE1-CB 4.21Å
36V78.3Confident87.5Confident120 Ų12071.6 Ų71.673%0.72738%0.38SS*.SBendtrans-107.6122.5170.9-176.70000107.6A34A34-V36 VanDerWaalsContact C-N 3.25Å; A34-V36 WeakPolarHBondContact CB-O 3.17Å; A34-V36 PolarHBondContact O-N 3.45Å
37S79.4Confident87.5Confident49 Ų4970 Ų7034%0.34338%0.382SS..  trans-127.1119.4172.9-175.50000107.9
38D82.9Confident87.4Confident137 Ų13770.7 Ų70.773%0.73339%0.385SS*.PPolyproline II helixtrans-62.2146.9171.3-66.7-41.5000109.7T40D38-T40 PolarHBondContact O-N 2.99Å
39P84.6Confident87.4Confident77 Ų7774.1 Ų74.150%0.540%0.403SS..PPolyproline II helixtrans-60130.2174.3-21.232.4000110.8V41P39-V41 PolarHBondContact O-N 3.31Å
40T81.4Confident87.4Confident18 Ų1872.7 Ų72.711%0.1139%0.394CS..PPolyproline II helixtrans-58131.4174.4-42.10000110.4S22 D38 D64 A66S22-T40 PolarHBondContact OG-OG1 3.48Å; D38-T40 PolarHBondContact O-N 2.99Å; T40-D64 PolarHBondContact OG1-OD2 3.04Å; T40-A66 VanDerWaalsContact O-CB 3.23Å; T40-A66 WeakPolarHBondContact O-CB 3.23Å
41V82.7Confident87.4Confident107 Ų10774.2 Ų74.265%0.64840%0.401SS*.  trans-105.8114.2173.8178.40000107.8P39 V43 F71P39-V41 PolarHBondContact O-N 3.31Å; V41-V43 PolarHBondContact O-N 3.04Å; V41-F71 HydrophobicContact CG1-CE1 4.13Å; V41-F71 HydrophobicContact CG1-CZ 3.96Å
42G81.8Confident87.6Confident9 Ų972.2 Ų72.29%0.09338%0.379CS..SBendtrans74.5-120.6-17500000112A66G42-A66 VanDerWaalsContact O-CB 3.29Å; G42-A66 WeakPolarHBondContact O-CB 3.41Å; G42-A66 PolarHBondContact O-N 3.37Å
43V85.9Confident87.9Confident25 Ų2568 Ų6815%0.15237%0.366CS..EExtended strand (participates in β ladder)trans-144.4131.2-174.1-179.70000110.3V41 W63 D64 T65 I74 Y78V41-V43 PolarHBondContact O-N 3.04Å; V43-W63 HydrophobicContact CG1-CB 4.06Å; V43-W63 HydrophobicContact CG1-CD2 4.21Å; V43-W63 HydrophobicContact CG1-CE3 3.46Å; V43-W63 VanDerWaalsContact CG1-CE3 3.46Å; V43-W63 HydrophobicContact CG1-CZ3 4.18Å; V43-D64 CarbonylContact C-O 3.54Å; V43-D64 WeakPolarHBondContact CA-O 3.24Å; V43-D64 WeakPolarHBondContact CG1-O 3.49Å; V43-T65 HydrophobicContact CG2-CG2 4.34Å; V43-I74 HydrophobicContact CG2-CG2 3.89Å; V43-Y78 HydrophobicContact CB-CD2 4.44Å; V43-Y78 HydrophobicContact CB-CE2 3.94Å; V43-Y78 HydrophobicContact CG1-CD1 4.34Å; V43-Y78 HydrophobicContact CG1-CD2 4.37Å; V43-Y78 HydrophobicContact CG1-CE1 4.12Å; V43-Y78 HydrophobicContact CG1-CE2 4.17Å; V43-Y78 HydrophobicContact CG1-CG 4.46Å; V43-Y78 HydrophobicContact CG2-CD2 3.78Å; V43-Y78 HydrophobicContact CG2-CE2 3.56Å
44D91.7Very high88.1Confident68 Ų6870.2 Ų70.236%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-105.1155.2173-72.8-33.9000111.3F46 W63 D64D44-F46 HydrophobicContact CB-CE2 3.87Å; D44-W63 WeakPolarHBondContact O-CA 3.23Å; D44-D64 HydrophobicContact CB-CB 4.18Å; D44-D64 PolarHBondContact N-O 2.95Å; D44-D64 PolarHBondContact O-N 2.86Å
45F93.8Very high88.5Confident93 Ų9371.2 Ų71.241%0.40840%0.403SS..EExtended strand (participates in β ladder)trans-116.1132.7-178173.7-97.8000112Q61 W63F45-Q61 HydrophobicContact CE2-CB 3.78Å; F45-Q61 HydrophobicContact CE2-CG 3.81Å; F45-Q61 HydrophobicContact CZ-CB 4.33Å; F45-Q61 HydrophobicContact CZ-CG 3.91Å; F45-W63 HydrophobicContact CB-CE3 4.02Å; F45-W63 HydrophobicContact CB-CH2 4.34Å; F45-W63 HydrophobicContact CB-CZ3 3.75Å; F45-W63 HydrophobicContact CD2-CD2 4.26Å; F45-W63 HydrophobicContact CD2-CE3 4.17Å; F45-W63 HydrophobicContact CD2-CH2 4.06Å; F45-W63 HydrophobicContact CD2-CZ2 4.07Å; F45-W63 HydrophobicContact CD2-CZ3 4.12Å; F45-W63 HydrophobicContact CG-CZ3 4.37Å
46F96Very high89.3Confident30 Ų3065.9 Ų65.913%0.13238%0.377CS..EExtended strand (participates in β ladder)trans-130.1155.5173.4-60.4-95.5000111.1I25 R26 T29 D44 I62 D64I25-F46 HydrophobicContact CG2-CB 3.89Å; I25-F46 HydrophobicContact CG2-CD1 4.14Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE2 3.98Å; I25-F46 HydrophobicContact CG2-CG 3.56Å; R26-F46 HydrophobicContact CG-CE1 4.02Å; R26-F46 HydrophobicContact CG-CZ 4.08Å; T29-F46 HydrophobicContact CG2-CB 3.94Å; D44-F46 HydrophobicContact CB-CE2 3.87Å; F46-I62 HydrophobicContact CB-CB 4.36Å; F46-I62 PolarHBondContact N-O 3.47Å; F46-I62 PolarHBondContact O-N 3.3Å; F46-D64 HydrophobicContact CD2-CB 4.28Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
47S96.4Very high90.1Very high56 Ų5665 Ų6539%0.39236%0.361SS..EExtended strand (participates in β ladder)trans-139.6136.7176.5178.10000111L60S47-L60 VanDerWaalsContact CA-O 3.23Å; S47-L60 WeakPolarHBondContact CA-O 3.24Å; S47-L60 PolarHBondContact OG-O 2.9Å
48R96.3Very high91Very high71 Ų7162.7 Ų62.727%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-146.8139.7173.8-178.5164176.1-146.1-13.5110.9F28 T29 L60 E161F28-R48 HydrophobicContact CE1-CB 3.91Å; F28-R48 HydrophobicContact CE1-CG 4.15Å; F28-R48 HydrophobicContact CZ-CB 4.41Å; F28-R48 HydrophobicContact CZ-CG 4.21Å; F28-R48 WeakPolarHBondContact O-CD 3.33Å; F28-R48 PolarHBondContact O-NH1 2.92Å; T29-R48 HydrophobicContact CG2-CB 4.19Å; R48-L60 PolarHBondContact N-O 3.24Å; R48-L60 PolarHBondContact O-N 2.94Å; R48-E161 IonicContact CZ-OE1 2.69Å; R48-E161 IonicContact CZ-OE2 3.19Å; R48-E161 IonicContact NH1-OE1 3.97Å; R48-E161 IonicContact NH1-OE2 2.84Å; R48-E161 PolarHBondContact NH1-OE2 2.76Å; R48-E161 VanDerWaalsContact NH2-CD 3.34Å; R48-E161 IonicContact NH2-OE1 3.49Å; R48-E161 PolarHBondContact NH2-OE1 2.92Å; R48-E161 IonicContact NH2-OE2 2.69Å; R48-E161 PolarHBondContact NH2-OE2 2.87Å; R48-E161 VanDerWaalsContact NH2-OE2 3.16Å
49L96.3Very high91.6Very high75 Ų7558.4 Ų58.439%0.39332%0.319SS..EExtended strand (participates in β ladder)trans-83.6131.9167.6-76.6167.4000109.1I4 W5 I58 K59I4-L49 HydrophobicContact CG2-CD1 4.47Å; W5-L49 HydrophobicContact CB-CD2 3.85Å; W5-L49 HydrophobicContact CD2-CD2 4.23Å; W5-L49 HydrophobicContact CE3-CD2 3.86Å; W5-L49 HydrophobicContact CG-CD2 4.26Å; L49-I58 WeakPolarHBondContact CA-O 3.43Å; L49-K59 HydrophobicContact CD2-CB 3.72Å; L49-K59 HydrophobicContact CD2-CG 4.2Å
50V96.6Very high92.3Very high5 Ų554.8 Ų54.83%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-120.5144.7172.6-63.10000109.9F28 I52 R57 I58 L60 T168F28-V50 HydrophobicContact CE2-CG1 4.21Å; F28-V50 HydrophobicContact CZ-CG1 3.55Å; V50-I52 HydrophobicContact CG2-CG2 4.38Å; V50-R57 CarbonylContact O-C 3.52Å; V50-R57 VanDerWaalsContact O-CA 3.3Å; V50-R57 WeakPolarHBondContact O-CA 3.41Å; V50-I58 HydrophobicContact CG2-CB 4.12Å; V50-I58 PolarHBondContact N-O 2.95Å; V50-I58 PolarHBondContact O-N 3.02Å; V50-L60 HydrophobicContact CG1-CD1 3.8Å; V50-L60 HydrophobicContact CG1-CG 4.4Å; V50-L60 HydrophobicContact CG2-CD1 3.93Å; V50-L60 HydrophobicContact CG2-CD2 4.39Å; V50-L60 HydrophobicContact CG2-CG 3.97Å; V50-T168 HydrophobicContact CG2-CG2 3.88Å
51E94.4Very high93.1Very high110 Ų11055.1 Ų55.151%0.51430%0.296SS..EExtended strand (participates in β ladder)trans-104.4114.4172.4-171.8168.3-169.600108.2E53 P54 G55 K56 R57E51-E53 WeakPolarHBondContact CG-O 3.14Å; E51-P54 WeakPolarHBondContact OE1-CA 3.33Å; E51-G55 PolarHBondContact OE1-N 2.65Å; E51-K56 WeakPolarHBondContact CA-O 3.37Å; E51-R57 HydrophobicContact CB-CG 4.19Å; E51-R57 HydrophobicContact CG-CG 4.23Å
52I94.4Very high93.8Very high6 Ų650 Ų503%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-87.6-27.1-175.854.7169.4000112.4V50 K56 I58 T168 R169 F172V50-I52 HydrophobicContact CG2-CG2 4.38Å; I52-K56 HydrophobicContact CG1-CB 3.96Å; I52-K56 WeakPolarHBondContact CG1-O 3.49Å; I52-K56 PolarHBondContact N-O 2.94Å; I52-I58 HydrophobicContact CD1-CD1 4.37Å; I52-I58 HydrophobicContact CD1-CG1 3.95Å; I52-I58 HydrophobicContact CG1-CG1 4.2Å; I52-I58 HydrophobicContact CG2-CG1 4.36Å; I52-T168 HydrophobicContact CG2-CG2 3.64Å; I52-R169 HydrophobicContact CB-CG 3.86Å; I52-R169 HydrophobicContact CG2-CG 3.95Å; I52-R169 PolarHBondContact O-NE 2.85Å; I52-R169 PolarHBondContact O-NH2 3.36Å; I52-F172 HydrophobicContact CD1-CB 3.79Å; I52-F172 HydrophobicContact CD1-CD1 3.59Å; I52-F172 HydrophobicContact CD1-CD2 3.75Å; I52-F172 HydrophobicContact CD1-CE1 4.07Å; I52-F172 HydrophobicContact CD1-CE2 4.21Å; I52-F172 HydrophobicContact CD1-CG 3.4Å; I52-F172 VanDerWaalsContact CD1-CG 3.4Å; I52-F172 HydrophobicContact CD1-CZ 4.36Å
53E90.9Very high94.5Very high74 Ų7451.7 Ų51.735%0.34627%0.268SS..EExtended strand (participates in β ladder)trans-152.2159.8176.1-65.3175.2-160.600108.5E51 G55 K56E51-E53 WeakPolarHBondContact CG-O 3.14Å; E53-G55 PolarHBondContact O-N 2.93Å; E53-G55 VanDerWaalsContact O-N 3.12Å; E53-K56 HydrophobicContact CB-CB 4.12Å; E53-K56 HydrophobicContact CB-CD 4.11Å; E53-K56 HydrophobicContact CB-CG 4.19Å; E53-K56 HydrophobicContact CG-CD 4.5Å; E53-K56 PolarHBondContact O-N 3.36Å; E53-K56 IonicContact OE1-NZ 3.55Å; E53-K56 WeakPolarHBondContact OE2-CD 3.43Å; E53-K56 WeakPolarHBondContact OE2-CE 3.35Å; E53-K56 IonicContact OE2-NZ 3.36Å; E53-K56 PolarHBondContact OE2-NZ 3.42Å
54P91.4Very high94.9Very high126 Ų12650.5 Ų50.582%0.81826%0.261SS*.THydrogen-bonded Turntrans-50.6119.1178.4-27.835.8000112.9E51 K56E51-P54 WeakPolarHBondContact OE1-CA 3.33Å; P54-K56 VanDerWaalsContact C-N 3.25Å; P54-K56 PolarHBondContact O-N 3.19Å
55G87.6Confident94.9Very high60 Ų6047.2 Ų47.262%0.61924%0.244SC*.THydrogen-bonded Turntrans79.7-8.2-178.300000115.4E51 E53E51-G55 PolarHBondContact OE1-N 2.65Å; E53-G55 PolarHBondContact O-N 2.93Å; E53-G55 VanDerWaalsContact O-N 3.12Å
56K91.9Very high94.6Very high67 Ų6742.8 Ų42.829%0.29122%0.224SC..EExtended strand (participates in β ladder)trans-98.991.9179.3-61-165.8-174.1161.40111L6 E51 I52 E53 P54 F172L6-K56 HydrophobicContact CD1-CB 3.8Å; L6-K56 HydrophobicContact CD1-CD 4.19Å; L6-K56 HydrophobicContact CD1-CG 3.84Å; E51-K56 WeakPolarHBondContact CA-O 3.37Å; I52-K56 HydrophobicContact CG1-CB 3.96Å; I52-K56 WeakPolarHBondContact CG1-O 3.49Å; I52-K56 PolarHBondContact N-O 2.94Å; E53-K56 HydrophobicContact CB-CB 4.12Å; E53-K56 HydrophobicContact CB-CD 4.11Å; E53-K56 HydrophobicContact CB-CG 4.19Å; E53-K56 HydrophobicContact CG-CD 4.5Å; E53-K56 PolarHBondContact O-N 3.36Å; E53-K56 IonicContact OE1-NZ 3.55Å; E53-K56 WeakPolarHBondContact OE2-CD 3.43Å; E53-K56 WeakPolarHBondContact OE2-CE 3.35Å; E53-K56 IonicContact OE2-NZ 3.36Å; E53-K56 PolarHBondContact OE2-NZ 3.42Å; P54-K56 VanDerWaalsContact C-N 3.25Å; P54-K56 PolarHBondContact O-N 3.19Å; K56-F172 HydrophobicContact CD-CE1 4.46Å; K56-F172 HydrophobicContact CD-CZ 4.05Å
57R95.6Very high93.7Very high103 Ų10341.9 Ų41.939%0.38922%0.223SC..EExtended strand (participates in β ladder)trans-96.1138.5177.8-66.4-178.1-69.8-166-5111.8I4 W5 L6 V50 E51I4-R57 PolarHBondContact O-NE 3.07Å; W5-R57 CarbonylContact C-O 3.31Å; W5-R57 VanDerWaalsContact CA-O 3.27Å; W5-R57 WeakPolarHBondContact CA-O 3.32Å; W5-R57 HydrophobicContact CB-CB 4.38Å; W5-R57 WeakPolarHBondContact CB-O 3.44Å; L6-R57 PolarHBondContact N-O 2.94Å; V50-R57 CarbonylContact O-C 3.52Å; V50-R57 VanDerWaalsContact O-CA 3.3Å; V50-R57 WeakPolarHBondContact O-CA 3.41Å; E51-R57 HydrophobicContact CB-CG 4.19Å; E51-R57 HydrophobicContact CG-CG 4.23Å
58I97.3Very high92.9Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-124.5135.1176-53.3-65000108.5L6 Y7 F9 L49 V50 I52 L60 T168 F172L6-I58 HydrophobicContact CB-CD1 4.1Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 WeakPolarHBondContact O-CA 3.43Å; Y7-I58 WeakPolarHBondContact O-CG2 3.1Å; F9-I58 HydrophobicContact CD1-CG2 4.48Å; F9-I58 HydrophobicContact CD2-CG2 3.56Å; F9-I58 HydrophobicContact CE2-CG2 3.69Å; F9-I58 HydrophobicContact CG-CG2 3.97Å; F9-I58 HydrophobicContact CZ-CD1 4.47Å; F9-I58 HydrophobicContact CZ-CG2 4.21Å; L49-I58 WeakPolarHBondContact CA-O 3.43Å; V50-I58 HydrophobicContact CG2-CB 4.12Å; V50-I58 PolarHBondContact N-O 2.95Å; V50-I58 PolarHBondContact O-N 3.02Å; I52-I58 HydrophobicContact CD1-CD1 4.37Å; I52-I58 HydrophobicContact CD1-CG1 3.95Å; I52-I58 HydrophobicContact CG1-CG1 4.2Å; I52-I58 HydrophobicContact CG2-CG1 4.36Å; I58-L60 HydrophobicContact CG2-CD2 4.09Å; I58-T168 HydrophobicContact CB-CG2 3.86Å; I58-T168 HydrophobicContact CG1-CG2 3.98Å; I58-T168 HydrophobicContact CG2-CG2 3.8Å; I58-F172 HydrophobicContact CD1-CD2 3.96Å; I58-F172 HydrophobicContact CD1-CE2 4.45Å
59K97.6Very high92Very high47 Ų4745.9 Ų45.920%0.20424%0.239CC..EExtended strand (participates in β ladder)trans-90.4119.3174.1-174.5176.7175.2-170.40109.9W5 Y7 Q8 F9 L49W5-K59 HydrophobicContact CB-CB 4.38Å; W5-K59 HydrophobicContact CD2-CB 3.91Å; W5-K59 HydrophobicContact CD2-CD 4.1Å; W5-K59 HydrophobicContact CE3-CB 4.49Å; W5-K59 HydrophobicContact CE3-CD 4.27Å; W5-K59 HydrophobicContact CG-CB 3.83Å; W5-K59 HydrophobicContact CH2-CD 3.98Å; W5-K59 HydrophobicContact CZ2-CD 3.73Å; W5-K59 HydrophobicContact CZ3-CD 4.24Å; Y7-K59 PolarHBondContact O-N 3.2Å; Q8-K59 CarbonylContact C-O 3.59Å; Q8-K59 WeakPolarHBondContact CA-O 3.49Å; Q8-K59 HydrophobicContact CB-CB 4.22Å; Q8-K59 HydrophobicContact CG-CB 4.15Å; Q8-K59 HydrophobicContact CG-CD 4.26Å; Q8-K59 HydrophobicContact CG-CG 4.2Å; F9-K59 PolarHBondContact N-O 3.21Å; L49-K59 HydrophobicContact CD2-CB 3.72Å; L49-K59 HydrophobicContact CD2-CG 4.2Å
60L98.4Very high91Very high0 Ų051.2 Ų51.20%025%0.254CS..EExtended strand (participates in β ladder)trans-94.7127.8174.1-55.6-177000109.8F9 L11 F28 S47 R48 V50 I58 I62 F164 T168F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; L11-L60 HydrophobicContact CD1-CB 4.45Å; L11-L60 HydrophobicContact CD1-CD1 4.02Å; L11-L60 HydrophobicContact CD1-CD2 4.03Å; L11-L60 HydrophobicContact CD1-CG 4.39Å; L11-L60 HydrophobicContact CG-CD2 4.44Å; F28-L60 HydrophobicContact CE1-CD1 4.15Å; F28-L60 HydrophobicContact CZ-CD1 4.02Å; S47-L60 VanDerWaalsContact CA-O 3.23Å; S47-L60 WeakPolarHBondContact CA-O 3.24Å; S47-L60 PolarHBondContact OG-O 2.9Å; R48-L60 PolarHBondContact N-O 3.24Å; R48-L60 PolarHBondContact O-N 2.94Å; V50-L60 HydrophobicContact CG1-CD1 3.8Å; V50-L60 HydrophobicContact CG1-CG 4.4Å; V50-L60 HydrophobicContact CG2-CD1 3.93Å; V50-L60 HydrophobicContact CG2-CD2 4.39Å; V50-L60 HydrophobicContact CG2-CG 3.97Å; I58-L60 HydrophobicContact CG2-CD2 4.09Å; L60-I62 HydrophobicContact CB-CD1 4.22Å; L60-I62 HydrophobicContact CB-CG1 4.06Å; L60-F164 HydrophobicContact CD1-CB 4.43Å; L60-T168 HydrophobicContact CD2-CG2 3.98Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.37Å
61Q97.9Very high90.2Very high25 Ų2552.3 Ų52.312%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-104.3116.6165-76.4-163-38.200107.3Q8 F9 R10 L11 F45Q8-Q61 HydrophobicContact CG-CG 4.02Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.31Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.09Å; F9-Q61 PolarHBondContact O-N 3.49Å; R10-Q61 CarbonylContact C-O 3.49Å; R10-Q61 WeakPolarHBondContact CA-O 3.49Å; R10-Q61 HydrophobicContact CG-CB 3.95Å; L11-Q61 PolarHBondContact N-O 2.54Å; F45-Q61 HydrophobicContact CE2-CB 3.78Å; F45-Q61 HydrophobicContact CE2-CG 3.81Å; F45-Q61 HydrophobicContact CZ-CB 4.33Å; F45-Q61 HydrophobicContact CZ-CG 3.91Å
62I98.1Very high89.5Confident0 Ų050 Ų500%024%0.244CC..EExtended strand (participates in β ladder)trans-118.4120.5-168.9-53.3168.1000108.7L11 V13 I25 F28 T29 F46 L60 F164L11-I62 HydrophobicContact CB-CG1 4.4Å; L11-I62 HydrophobicContact CD1-CG1 4.45Å; L11-I62 WeakPolarHBondContact O-CA 3.34Å; V13-I62 HydrophobicContact CG2-CG2 3.84Å; I25-I62 HydrophobicContact CD1-CG2 4.03Å; I25-I62 HydrophobicContact CG1-CG2 4.04Å; I25-I62 HydrophobicContact CG2-CG2 4.11Å; F28-I62 HydrophobicContact CD1-CD1 3.76Å; F28-I62 HydrophobicContact CE1-CD1 3.62Å; T29-I62 HydrophobicContact CG2-CD1 4.23Å; F46-I62 HydrophobicContact CB-CB 4.36Å; F46-I62 PolarHBondContact N-O 3.47Å; F46-I62 PolarHBondContact O-N 3.3Å; L60-I62 HydrophobicContact CB-CD1 4.22Å; L60-I62 HydrophobicContact CB-CG1 4.06Å; I62-F164 HydrophobicContact CD1-CD1 4.13Å; I62-F164 HydrophobicContact CD1-CE1 3.88Å; I62-F164 HydrophobicContact CG2-CE1 4.32Å
63W96.4Very high88.8Confident44 Ų4454 Ų5417%0.16727%0.273CS..EExtended strand (participates in β ladder)trans-95.5112.3175.3-65.8106.4000110.1L11 I12 V13 V43 D44 F45 Y78L11-W63 PolarHBondContact O-N 2.9Å; I12-W63 HydrophobicContact CG1-CB 4.32Å; V13-W63 PolarHBondContact N-O 3.22Å; V43-W63 HydrophobicContact CG1-CB 4.06Å; V43-W63 HydrophobicContact CG1-CD2 4.21Å; V43-W63 HydrophobicContact CG1-CE3 3.46Å; V43-W63 VanDerWaalsContact CG1-CE3 3.46Å; V43-W63 HydrophobicContact CG1-CZ3 4.18Å; D44-W63 WeakPolarHBondContact O-CA 3.23Å; F45-W63 HydrophobicContact CB-CE3 4.02Å; F45-W63 HydrophobicContact CB-CH2 4.34Å; F45-W63 HydrophobicContact CB-CZ3 3.75Å; F45-W63 HydrophobicContact CD2-CD2 4.26Å; F45-W63 HydrophobicContact CD2-CE3 4.17Å; F45-W63 HydrophobicContact CD2-CH2 4.06Å; F45-W63 HydrophobicContact CD2-CZ2 4.07Å; F45-W63 HydrophobicContact CD2-CZ3 4.12Å; F45-W63 HydrophobicContact CG-CZ3 4.37Å; W63-Y78 AromaticContact CD2-CD1 3.61Å; W63-Y78 HydrophobicContact CD2-CD1 3.61Å; W63-Y78 AromaticContact CD2-CE1 3.77Å; W63-Y78 HydrophobicContact CD2-CE1 3.77Å; W63-Y78 AromaticContact CE2-CD1 3.75Å; W63-Y78 AromaticContact CE2-CE1 3.9Å; W63-Y78 AromaticContact CE3-CD1 3.92Å; W63-Y78 HydrophobicContact CE3-CD1 3.92Å; W63-Y78 AromaticContact CE3-CE1 3.62Å; W63-Y78 HydrophobicContact CE3-CE1 3.62Å; W63-Y78 AromaticContact CG-CD1 3.95Å; W63-Y78 HydrophobicContact CG-CD1 3.95Å; W63-Y78 HydrophobicContact CH2-CD1 4.36Å; W63-Y78 AromaticContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CZ2-CD1 4.14Å; W63-Y78 AromaticContact CZ2-CE1 3.86Å; W63-Y78 HydrophobicContact CZ2-CE1 3.86Å; W63-Y78 HydrophobicContact CZ3-CD1 4.25Å; W63-Y78 AromaticContact CZ3-CE1 3.53Å; W63-Y78 HydrophobicContact CZ3-CE1 3.53Å
64D94.4Very high88.3Confident0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-83.9119.6170.2-174.926.5000109.2S22 I25 T40 V43 D44 F46S22-D64 WeakPolarHBondContact CA-OD2 3.15Å; S22-D64 WeakPolarHBondContact CB-OD2 3.19Å; S22-D64 PolarHBondContact OG-OD1 3.5Å; S22-D64 PolarHBondContact OG-OD2 2.97Å; I25-D64 HydrophobicContact CD1-CB 3.39Å; T40-D64 PolarHBondContact OG1-OD2 3.04Å; V43-D64 CarbonylContact C-O 3.54Å; V43-D64 WeakPolarHBondContact CA-O 3.24Å; V43-D64 WeakPolarHBondContact CG1-O 3.49Å; D44-D64 HydrophobicContact CB-CB 4.18Å; D44-D64 PolarHBondContact N-O 2.95Å; D44-D64 PolarHBondContact O-N 2.86Å; F46-D64 HydrophobicContact CD2-CB 4.28Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
65T91.8Very high87.9Confident0 Ų047.6 Ų47.60%023%0.233CC..EExtended strand (participates in β ladder)trans-107146.7-173.671.90000112I12 V13 I14 K21 V43 G67 T75I12-T65 HydrophobicContact CD1-CG2 3.82Å; I12-T65 HydrophobicContact CG1-CG2 3.54Å; V13-T65 PolarHBondContact O-OG1 3.42Å; I14-T65 HydrophobicContact CG2-CG2 4.31Å; K21-T65 WeakPolarHBondContact CE-O 3.24Å; V43-T65 HydrophobicContact CG2-CG2 4.34Å; T65-G67 PolarHBondContact O-N 2.83Å; T65-T75 HydrophobicContact CG2-CG2 3.95Å
66A86.6Confident87.8Confident0 Ų049.5 Ų49.50%022%0.222CC..  trans-62.9130.3168.500000110.9T40 G42 Q68 F71T40-A66 VanDerWaalsContact O-CB 3.23Å; T40-A66 WeakPolarHBondContact O-CB 3.23Å; G42-A66 VanDerWaalsContact O-CB 3.29Å; G42-A66 WeakPolarHBondContact O-CB 3.41Å; G42-A66 PolarHBondContact O-N 3.37Å; A66-Q68 VanDerWaalsContact C-N 3.34Å; A66-F71 HydrophobicContact CB-CB 3.66Å; A66-F71 HydrophobicContact CB-CD2 3.73Å; A66-F71 HydrophobicContact CB-CG 4.01Å
67G77Confident87.5Confident10 Ų1049.6 Ų49.610%0.10324%0.235CC..  trans-87.80.8176.200000114.5G15 S17 K21 T65G15-G67 VanDerWaalsContact O-CA 3.3Å; G15-G67 WeakPolarHBondContact O-CA 3.47Å; S17-G67 PolarHBondContact N-O 2.68Å; S17-G67 VanDerWaalsContact N-O 3.08Å; K21-G67 VanDerWaalsContact NZ-CA 3.33Å; T65-G67 PolarHBondContact O-N 2.83Å
68Q79.9Confident87.2Confident54 Ų5447.8 Ų47.825%0.25223%0.229SC..SBendtrans-84.9135.6179.2-55.5178.642.800110A66 R70 F71A66-Q68 VanDerWaalsContact C-N 3.34Å; Q68-R70 HydrophobicContact CB-CG 4.01Å; Q68-R70 PolarHBondContact O-N 2.91Å; Q68-R70 VanDerWaalsContact O-N 3.16Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.44Å; Q68-F71 PolarHBondContact O-N 2.92Å
69E76.5Confident86.9Confident158 Ų15847.8 Ų47.874%0.73823%0.229SC*.G310 helixtrans-52.5-39-178.965.8-157.9177.100113.8F71 R72E69-F71 PolarHBondContact O-N 2.86Å; E69-R72 WeakPolarHBondContact O-CB 3.32Å; E69-R72 PolarHBondContact O-N 2.86Å
70R76.6Confident86.6Confident187 Ų18752.9 Ų52.971%0.70625%0.247SC*.G310 helixtrans-59.2-16.9177.663.1-178.2-75.5175-2.5114.7Q68Q68-R70 HydrophobicContact CB-CG 4.01Å; Q68-R70 PolarHBondContact O-N 2.91Å; Q68-R70 VanDerWaalsContact O-N 3.16Å
71F79.9Confident86.3Confident28 Ų2855 Ų5512%0.12326%0.258CS..G310 helixtrans-109.13.5178.5-59.6-57.7000113.3V41 A66 Q68 E69 S73 I74 T75V41-F71 HydrophobicContact CG1-CE1 4.13Å; V41-F71 HydrophobicContact CG1-CZ 3.96Å; A66-F71 HydrophobicContact CB-CB 3.66Å; A66-F71 HydrophobicContact CB-CD2 3.73Å; A66-F71 HydrophobicContact CB-CG 4.01Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.44Å; Q68-F71 PolarHBondContact O-N 2.92Å; E69-F71 PolarHBondContact O-N 2.86Å; F71-S73 VanDerWaalsContact C-N 3.25Å; F71-S73 PolarHBondContact O-N 3.49Å; F71-I74 HydrophobicContact CD1-CD1 4.07Å; F71-I74 WeakPolarHBondContact O-CB 3.42Å; F71-I74 PolarHBondContact O-N 2.78Å; F71-T75 PolarHBondContact O-N 2.7Å
72R79.6Confident86.2Confident61 Ų6153.8 Ų53.823%0.2325%0.253CS..Hα-helixtrans-58.5-32.2-178.1-84.3-175.3173.9-177.14.4114.1E69 I74 T75 R76 W103 E106E69-R72 WeakPolarHBondContact O-CB 3.32Å; E69-R72 PolarHBondContact O-N 2.86Å; R72-I74 PolarHBondContact O-N 2.99Å; R72-T75 PolarHBondContact O-N 2.88Å; R72-R76 VanDerWaalsContact O-CG 3.27Å; R72-R76 WeakPolarHBondContact O-CG 3.43Å; R72-R76 PolarHBondContact O-N 2.87Å; R72-W103 HydrophobicContact CG-CH2 4.2Å; R72-W103 HydrophobicContact CG-CZ3 4.49Å; R72-E106 WeakPolarHBondContact CD-OE2 3.42Å; R72-E106 IonicContact NH1-OE2 2.73Å
73S79.3Confident86.2Confident89 Ų8953.8 Ų53.862%0.62225%0.253SS*.Hα-helixtrans-60.9-35.1175.455.10000112.4F71F71-S73 VanDerWaalsContact C-N 3.25Å; F71-S73 PolarHBondContact O-N 3.49Å
74I80.6Confident86.3Confident66 Ų6651.7 Ų51.734%0.33825%0.245SC..Hα-helixtrans-70.4-48.6175.9-55.4175.7000109.1V43 F71 R72 R76 A77 Y78V43-I74 HydrophobicContact CG2-CG2 3.89Å; F71-I74 HydrophobicContact CD1-CD1 4.07Å; F71-I74 WeakPolarHBondContact O-CB 3.42Å; F71-I74 PolarHBondContact O-N 2.78Å; R72-I74 PolarHBondContact O-N 2.99Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 2.98Å; I74-A77 WeakPolarHBondContact O-CB 3.48Å; I74-A77 PolarHBondContact O-N 3.13Å; I74-A77 VanDerWaalsContact O-N 3.15Å; I74-Y78 HydrophobicContact CG2-CE2 4.11Å; I74-Y78 VanDerWaalsContact O-CD2 3.22Å; I74-Y78 WeakPolarHBondContact O-CD2 3.17Å
75T83.1Confident86.4Confident0 Ų051.7 Ų51.70%025%0.245CC..Hα-helixtrans-54.8-41.8178.4-55.90000112.4I12 I14 T65 F71 R72 A77 Y78 Y79 W103I12-T75 HydrophobicContact CD1-CG2 4.46Å; I14-T75 HydrophobicContact CG2-CG2 4.12Å; T65-T75 HydrophobicContact CG2-CG2 3.95Å; F71-T75 PolarHBondContact O-N 2.7Å; R72-T75 PolarHBondContact O-N 2.88Å; T75-A77 PolarHBondContact O-N 3.05Å; T75-A77 VanDerWaalsContact O-N 3.17Å; T75-Y78 PolarHBondContact O-N 3.4Å; T75-Y79 HydrophobicContact CG2-CE1 4.17Å; T75-Y79 HydrophobicContact CG2-CE2 4.48Å; T75-W103 HydrophobicContact CG2-CZ3 4.42Å
76R85.1Confident86.7Confident101 Ų10151.7 Ų51.738%0.38125%0.245SC..Hα-helixtrans-57.7-31.3-179.2-74.5166.4-172-172.21.4114R72 I74 Y78 Y79 E106 H110R72-R76 VanDerWaalsContact O-CG 3.27Å; R72-R76 WeakPolarHBondContact O-CG 3.43Å; R72-R76 PolarHBondContact O-N 2.87Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 2.98Å; R76-Y78 PolarHBondContact O-N 3.3Å; R76-Y79 HydrophobicContact CB-CD2 4.28Å; R76-Y79 HydrophobicContact CB-CE2 4.33Å; R76-Y79 HydrophobicContact CG-CD2 4.22Å; R76-Y79 HydrophobicContact CG-CE2 3.85Å; R76-Y79 PolarHBondContact O-N 3.24Å; R76-E106 HydrophobicContact CG-CG 4.45Å; R76-E106 IonicContact CZ-OE2 3.89Å; R76-E106 IonicContact NE-OE1 2.74Å; R76-E106 IonicContact NE-OE2 2.76Å; R76-E106 PolarHBondContact NE-OE2 3.16Å; R76-E106 VanDerWaalsContact NE-OE2 3.09Å; R76-E106 IonicContact NH2-OE2 3.93Å; R76-E106 PolarHBondContact NH2-OE2 2.88Å; R76-H110 WeakPolarHBondContact CD-NE2 3.47Å
77A85.8Confident87.3Confident69 Ų6951.7 Ų51.757%0.5725%0.245SC*.Hα-helixtrans-65.5-20177.900000113.3I74 T75I74-A77 WeakPolarHBondContact O-CB 3.48Å; I74-A77 PolarHBondContact O-N 3.13Å; I74-A77 VanDerWaalsContact O-N 3.15Å; T75-A77 PolarHBondContact O-N 3.05Å; T75-A77 VanDerWaalsContact O-N 3.17Å
78Y89.6Confident88.3Confident65 Ų6551.3 Ų51.326%0.25524%0.24SC..Hα-helixtrans-97-13.4-175.9-65.4-92.4000113.7V43 W63 I74 T75 R76 S82V43-Y78 HydrophobicContact CB-CD2 4.44Å; V43-Y78 HydrophobicContact CB-CE2 3.94Å; V43-Y78 HydrophobicContact CG1-CD1 4.34Å; V43-Y78 HydrophobicContact CG1-CD2 4.37Å; V43-Y78 HydrophobicContact CG1-CE1 4.12Å; V43-Y78 HydrophobicContact CG1-CE2 4.17Å; V43-Y78 HydrophobicContact CG1-CG 4.46Å; V43-Y78 HydrophobicContact CG2-CD2 3.78Å; V43-Y78 HydrophobicContact CG2-CE2 3.56Å; W63-Y78 AromaticContact CD2-CD1 3.61Å; W63-Y78 HydrophobicContact CD2-CD1 3.61Å; W63-Y78 AromaticContact CD2-CE1 3.77Å; W63-Y78 HydrophobicContact CD2-CE1 3.77Å; W63-Y78 AromaticContact CE2-CD1 3.75Å; W63-Y78 AromaticContact CE2-CE1 3.9Å; W63-Y78 AromaticContact CE3-CD1 3.92Å; W63-Y78 HydrophobicContact CE3-CD1 3.92Å; W63-Y78 AromaticContact CE3-CE1 3.62Å; W63-Y78 HydrophobicContact CE3-CE1 3.62Å; W63-Y78 AromaticContact CG-CD1 3.95Å; W63-Y78 HydrophobicContact CG-CD1 3.95Å; W63-Y78 HydrophobicContact CH2-CD1 4.36Å; W63-Y78 AromaticContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CZ2-CD1 4.14Å; W63-Y78 AromaticContact CZ2-CE1 3.86Å; W63-Y78 HydrophobicContact CZ2-CE1 3.86Å; W63-Y78 HydrophobicContact CZ3-CD1 4.25Å; W63-Y78 AromaticContact CZ3-CE1 3.53Å; W63-Y78 HydrophobicContact CZ3-CE1 3.53Å; I74-Y78 HydrophobicContact CG2-CE2 4.11Å; I74-Y78 VanDerWaalsContact O-CD2 3.22Å; I74-Y78 WeakPolarHBondContact O-CD2 3.17Å; T75-Y78 PolarHBondContact O-N 3.4Å; R76-Y78 PolarHBondContact O-N 3.3Å; Y78-S82 PolarHBondContact O-OG 3.32Å
79Y91.4Very high89.2Confident0 Ų048.8 Ų48.80%023%0.228CC..Hα-helixtrans-61.7-49.4177.8-66.5-44.8000112.2I12 I14 T75 R76 N81 S82 E106 A107 H110 I116I12-Y79 HydrophobicContact CD1-CD1 3.68Å; I12-Y79 HydrophobicContact CD1-CE1 3.83Å; I14-Y79 HydrophobicContact CD1-CE1 4.14Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; T75-Y79 HydrophobicContact CG2-CE1 4.17Å; T75-Y79 HydrophobicContact CG2-CE2 4.48Å; R76-Y79 HydrophobicContact CB-CD2 4.28Å; R76-Y79 HydrophobicContact CB-CE2 4.33Å; R76-Y79 HydrophobicContact CG-CD2 4.22Å; R76-Y79 HydrophobicContact CG-CE2 3.85Å; R76-Y79 PolarHBondContact O-N 3.24Å; Y79-N81 PolarHBondContact O-N 3.29Å; Y79-S82 PolarHBondContact O-N 2.71Å; Y79-E106 HydrophobicContact CE2-CG 4.11Å; Y79-E106 PolarHBondContact OH-OE1 3.09Å; Y79-A107 HydrophobicContact CD1-CB 3.96Å; Y79-A107 HydrophobicContact CE1-CB 3.79Å; Y79-A107 HydrophobicContact CG-CB 4.43Å; Y79-H110 HydrophobicContact CD2-CB 3.65Å; Y79-H110 HydrophobicContact CG-CB 4.35Å; Y79-I116 HydrophobicContact CD1-CD1 4.28Å
80R90.1Very high90.3Very high154 Ų15441.5 Ų41.558%0.58120%0.195SC*.THydrogen-bonded Turntrans-53.5-33.9-175-177.8175.9177.2172.10.9113.9W186R80-W186 PolarHBondContact O-NE1 3.46Å
81N92.6Very high91.3Very high44 Ų4432.6 Ų32.624%0.23516%0.161CC..THydrogen-bonded Turntrans-102.814.8-174.4-77.7-34.8000113.5R10 Y79 E187 G188R10-N81 WeakPolarHBondContact CB-O 3.39Å; R10-N81 WeakPolarHBondContact CD-O 3.42Å; Y79-N81 PolarHBondContact O-N 3.29Å; N81-E187 HydrophobicContact CB-CB 4.05Å; N81-E187 PolarHBondContact OD1-N 3.49Å; N81-G188 WeakPolarHBondContact O-CA 3.38Å; N81-G188 PolarHBondContact O-N 2.74Å
82S96.2Very high92.2Very high0 Ų032.2 Ų32.20%016%0.161CC..  trans-104.5136.2177.5-61.50000110.1R10 Y78 Y79R10-S82 WeakPolarHBondContact O-CA 3.4Å; Y78-S82 PolarHBondContact O-OG 3.32Å; Y79-S82 PolarHBondContact O-N 2.71Å
83V97.5Very high93.1Very high0 Ų031.5 Ų31.50%016%0.162CC..SBendtrans-95.9-28.7172.563.20000111.6F9 R10 V117 I171 I180 W186 G188 V189F9-V83 HydrophobicContact CB-CG1 3.83Å; F9-V83 HydrophobicContact CD1-CG1 4.39Å; F9-V83 HydrophobicContact CG-CG1 4.2Å; R10-V83 WeakPolarHBondContact O-CG1 3.47Å; R10-V83 PolarHBondContact O-N 3.12Å; V83-V117 PolarHBondContact O-N 3.17Å; V83-I171 HydrophobicContact CG1-CD1 4.3Å; V83-I171 HydrophobicContact CG1-CG2 4.07Å; V83-I171 HydrophobicContact CG2-CG2 3.63Å; V83-I180 HydrophobicContact CG2-CD1 3.85Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V83-W186 HydrophobicContact CB-CH2 3.96Å; V83-W186 HydrophobicContact CB-CZ2 4.09Å; V83-W186 HydrophobicContact CG2-CH2 3.86Å; V83-W186 HydrophobicContact CG2-CZ2 4.41Å; V83-G188 WeakPolarHBondContact CG1-O 3.34Å; V83-V189 HydrophobicContact CB-CG2 3.91Å; V83-V189 HydrophobicContact CG1-CG2 4.08Å; V83-V189 HydrophobicContact CG2-CG2 3.62Å
84G97.9Very high94Very high0 Ų031.6 Ų31.60%015%0.148CC..EExtended strand (participates in β ladder)trans-132.4157.3-179.900000112.4R10 L11 I12 V117R10-G84 PolarHBondContact O-N 3.37Å; L11-G84 VanDerWaalsContact CA-O 3.28Å; L11-G84 WeakPolarHBondContact CA-O 3.47Å; I12-G84 PolarHBondContact N-O 2.94Å; G84-V117 CarbonylContact C-O 3.49Å; G84-V117 VanDerWaalsContact CA-O 3.26Å; G84-V117 WeakPolarHBondContact CA-O 3.35Å
85G97.6Very high94.9Very high0 Ų036.6 Ų36.60%016%0.163CC..EExtended strand (participates in β ladder)trans-146140.6178.800000113.1I12 V117 F118 L119I12-G85 CarbonylContact O-C 3.53Å; I12-G85 WeakPolarHBondContact O-CA 3.25Å; G85-V117 PolarHBondContact N-O 3.42Å; G85-F118 WeakPolarHBondContact O-CA 3.39Å; G85-F118 WeakPolarHBondContact O-CD1 3.44Å; G85-L119 PolarHBondContact O-N 3.2Å
86L98.6Very high95.6Very high0 Ų036.6 Ų36.60%016%0.163CC..EExtended strand (participates in β ladder)trans-100.5118.7165.4-6292000107.7I12 V13 I14 L24 L88 V121 A163 F164 L167I12-L86 PolarHBondContact O-N 3.08Å; V13-L86 WeakPolarHBondContact CA-O 3.25Å; V13-L86 HydrophobicContact CG1-CB 4.3Å; V13-L86 HydrophobicContact CG2-CB 4.37Å; V13-L86 HydrophobicContact CG2-CD1 4.02Å; I14-L86 PolarHBondContact N-O 3.18Å; L24-L86 HydrophobicContact CD2-CD2 4.25Å; L86-L88 HydrophobicContact CB-CD1 3.58Å; L86-V121 HydrophobicContact CB-CG2 4.23Å; L86-V121 HydrophobicContact CD2-CG2 4.12Å; L86-A163 HydrophobicContact CD2-CB 4.28Å; L86-F164 HydrophobicContact CD1-CD1 3.94Å; L86-F164 HydrophobicContact CD1-CE1 3.59Å; L86-F164 HydrophobicContact CD1-CZ 4.29Å; L86-F164 HydrophobicContact CD2-CD1 4.26Å; L86-F164 HydrophobicContact CD2-CE1 3.98Å; L86-F164 HydrophobicContact CD2-CE2 4.26Å; L86-F164 HydrophobicContact CD2-CZ 3.98Å; L86-F164 HydrophobicContact CG-CE1 4.49Å; L86-L167 HydrophobicContact CD1-CD2 3.79Å; L86-L167 HydrophobicContact CG-CD2 4.03Å
87L98.4Very high96.2Very high0 Ų032.6 Ų32.60%015%0.149CC..EExtended strand (participates in β ladder)trans-101.5105.2177.3176.453000108.8I14 V100 W103 L104 F118 L119 L120 V121 M147I14-L87 HydrophobicContact CD1-CD1 4.07Å; I14-L87 HydrophobicContact CG1-CB 4.46Å; I14-L87 HydrophobicContact CG1-CD1 3.86Å; L87-V100 HydrophobicContact CD2-CG1 3.64Å; L87-V100 HydrophobicContact CG-CG1 4.18Å; L87-W103 HydrophobicContact CD1-CB 3.55Å; L87-W103 HydrophobicContact CD1-CG 4.16Å; L87-L104 HydrophobicContact CD2-CB 4.09Å; L87-F118 HydrophobicContact CB-CD1 4.14Å; L87-L119 PolarHBondContact N-O 3.39Å; L87-L120 HydrophobicContact CB-CD1 4.49Å; L87-L120 HydrophobicContact CD2-CD1 4.41Å; L87-L120 HydrophobicContact CG-CD1 4.15Å; L87-V121 PolarHBondContact O-N 2.95Å; L87-M147 HydrophobicContact CD2-CE 4.41Å
88L98.6Very high96.8Very high2 Ų235.1 Ų35.11%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-97.2139.2-172.2-84.265.3000111.9V13 I14 G15 V19 K21 L24 L86 V121V13-L88 HydrophobicContact CG1-CD1 3.7Å; V13-L88 HydrophobicContact CG1-CD2 4.18Å; I14-L88 PolarHBondContact O-N 2.77Å; G15-L88 WeakPolarHBondContact CA-O 3.5Å; V19-L88 HydrophobicContact CG2-CB 3.8Å; K21-L88 HydrophobicContact CB-CD2 4.33Å; K21-L88 HydrophobicContact CG-CB 4.33Å; K21-L88 HydrophobicContact CG-CD2 3.89Å; L24-L88 HydrophobicContact CB-CD2 4.34Å; L24-L88 HydrophobicContact CD2-CD1 4.18Å; L24-L88 HydrophobicContact CD2-CD2 3.75Å; L24-L88 HydrophobicContact CD2-CG 4.31Å; L86-L88 HydrophobicContact CB-CD1 3.58Å; L88-V121 WeakPolarHBondContact CA-O 3.47Å; L88-V121 HydrophobicContact CD1-CB 3.81Å; L88-V121 HydrophobicContact CD1-CG1 4.28Å; L88-V121 HydrophobicContact CD1-CG2 4.01Å; L88-V121 HydrophobicContact CG-CB 3.87Å; L88-V121 HydrophobicContact CG-CG1 4.03Å
89F98.8Very high97.2Very high0 Ų033.6 Ų33.60%015%0.145CC..EExtended strand (participates in β ladder)trans-129164.3157.570-87.5000109.3I91 F97 V100 L120 V121 H123 V133 A138 Y149F89-I91 HydrophobicContact CE2-CG2 4.03Å; F89-F97 HydrophobicContact CB-CB 4.37Å; F89-F97 AromaticContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CB 3.8Å; F89-F97 AromaticContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CG 4.26Å; F89-F97 AromaticContact CE1-CD2 3.75Å; F89-F97 HydrophobicContact CE1-CD2 3.75Å; F89-F97 HydrophobicContact CE1-CE2 4.11Å; F89-F97 HydrophobicContact CE2-CB 4.29Å; F89-F97 AromaticContact CE2-CD2 3.74Å; F89-F97 HydrophobicContact CE2-CD2 3.74Å; F89-F97 HydrophobicContact CE2-CE2 4.48Å; F89-F97 HydrophobicContact CE2-CG 4.32Å; F89-F97 HydrophobicContact CG-CB 4.12Å; F89-F97 AromaticContact CG-CD2 3.93Å; F89-F97 HydrophobicContact CG-CD2 3.93Å; F89-F97 AromaticContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CE2 4.04Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4Å; F89-V100 HydrophobicContact CG-CG2 4.29Å; F89-L120 HydrophobicContact CD1-CD1 3.92Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 4.04Å; F89-L120 HydrophobicContact CE1-CD2 4.05Å; F89-L120 HydrophobicContact CE1-CG 3.91Å; F89-V121 WeakPolarHBondContact CD1-O 3.23Å; F89-V121 PolarHBondContact N-O 3.29Å; F89-H123 WeakPolarHBondContact O-CB 3.42Å; F89-H123 PolarHBondContact O-N 3.01Å; F89-V133 HydrophobicContact CE2-CB 4Å; F89-V133 HydrophobicContact CE2-CG1 3.77Å; F89-V133 HydrophobicContact CE2-CG2 4.26Å; F89-V133 HydrophobicContact CZ-CG1 4.17Å; F89-A138 HydrophobicContact CE1-CB 4.3Å; F89-A138 HydrophobicContact CZ-CB 3.73Å; F89-Y149 AromaticContact CE1-CE2 3.7Å; F89-Y149 HydrophobicContact CE1-CE2 3.7Å; F89-Y149 AromaticContact CZ-CE2 3.74Å; F89-Y149 HydrophobicContact CZ-CE2 3.74Å
90D98.6Very high97.5Very high6 Ų633.6 Ų33.63%0.03215%0.145CC..EExtended strand (participates in β ladder)trans-99.4123.7176.1173.5-8.5000108.9V19 T92 N93 S96 K124V19-D90 HydrophobicContact CB-CB 4.19Å; V19-D90 HydrophobicContact CG1-CB 4.2Å; D90-T92 VanDerWaalsContact CG-OG1 3.23Å; D90-T92 PolarHBondContact O-N 3.29Å; D90-T92 VanDerWaalsContact O-N 3.11Å; D90-T92 WeakPolarHBondContact OD1-CA 3.33Å; D90-T92 WeakPolarHBondContact OD1-CB 3.5Å; D90-T92 PolarHBondContact OD1-N 3.44Å; D90-T92 PolarHBondContact OD1-OG1 3.43Å; D90-T92 PolarHBondContact OD2-OG1 3.22Å; D90-N93 HydrophobicContact CB-CB 4.01Å; D90-N93 CarbonylContact O-C 3.52Å; D90-N93 PolarHBondContact O-N 3.06Å; D90-S96 PolarHBondContact N-OG 3.14Å; D90-S96 PolarHBondContact O-OG 3.18Å; D90-K124 WeakPolarHBondContact OD2-CD 3.33Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.43Å; D90-K124 IonicContact OD2-NZ 3.09Å; D90-K124 PolarHBondContact OD2-NZ 3.44Å
91I98.8Very high97.8Very high0 Ų030.1 Ų30.10%014%0.135CC..THydrogen-bonded Turntrans-62.9-20.1-176.967150.5000112.8F89 H123 C125 R131 Q132 V133F89-I91 HydrophobicContact CE2-CG2 4.03Å; I91-H123 WeakPolarHBondContact CG1-O 3.24Å; I91-H123 PolarHBondContact N-O 3.14Å; I91-C125 HydrophobicContact CD1-CB 4.38Å; I91-R131 HydrophobicContact CD1-CB 4.33Å; I91-R131 HydrophobicContact CD1-CG 4.38Å; I91-Q132 PolarHBondContact O-N 2.9Å; I91-V133 PolarHBondContact O-N 2.89Å
92T98.7Very high97.9Very high19 Ų1931.7 Ų31.712%0.11714%0.143CC..THydrogen-bonded Turntrans-90.50.1177.372.40000112.9D90 L127 Q130 Q132D90-T92 VanDerWaalsContact CG-OG1 3.23Å; D90-T92 PolarHBondContact O-N 3.29Å; D90-T92 VanDerWaalsContact O-N 3.11Å; D90-T92 WeakPolarHBondContact OD1-CA 3.33Å; D90-T92 WeakPolarHBondContact OD1-CB 3.5Å; D90-T92 PolarHBondContact OD1-N 3.44Å; D90-T92 PolarHBondContact OD1-OG1 3.43Å; D90-T92 PolarHBondContact OD2-OG1 3.22Å; T92-L127 HydrophobicContact CG2-CB 3.55Å; T92-L127 HydrophobicContact CG2-CD1 4Å; T92-L127 HydrophobicContact CG2-CG 4.43Å; T92-Q130 WeakPolarHBondContact CA-O 3.43Å; T92-Q130 HydrophobicContact CG2-CB 3.78Å; T92-Q132 WeakPolarHBondContact O-CG 3.41Å; T92-Q132 PolarHBondContact O-NE2 3.25Å; T92-Q132 PolarHBondContact O-OE1 3.02Å
93N98.4Very high97.9Very high47 Ų4731.8 Ų31.825%0.25114%0.144SC..  trans-131.595.9-177.7-180-9000111.1D90 R95 S96D90-N93 HydrophobicContact CB-CB 4.01Å; D90-N93 CarbonylContact O-C 3.52Å; D90-N93 PolarHBondContact O-N 3.06Å; N93-R95 PolarHBondContact O-N 3.13Å; N93-R95 WeakPolarHBondContact OD1-CB 3.47Å; N93-R95 PolarHBondContact OD1-N 3.23Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; N93-S96 PolarHBondContact O-N 3.36Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 3.37Å; N93-S96 PolarHBondContact OD1-N 3.46Å
94R98.4Very high97.8Very high90 Ų9031.8 Ų31.834%0.3414%0.144SC..Hα-helixtrans-53.2-37.8179.6-17270.6178.5-170.613.2113.7S96 F97 Q98 Q132 E137R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 3.33Å; R94-F97 WeakPolarHBondContact O-CB 3.42Å; R94-F97 PolarHBondContact O-N 3.14Å; R94-Q98 WeakPolarHBondContact O-CG 3.47Å; R94-Q98 PolarHBondContact O-N 2.76Å; R94-Q132 HydrophobicContact CB-CB 4.21Å; R94-Q132 WeakPolarHBondContact CD-O 3.18Å; R94-Q132 PolarHBondContact NH1-O 2.87Å; R94-E137 IonicContact CZ-OE1 2.86Å; R94-E137 IonicContact CZ-OE2 3.14Å; R94-E137 IonicContact NH1-OE1 2.7Å; R94-E137 PolarHBondContact NH1-OE1 3.44Å; R94-E137 IonicContact NH1-OE2 3.72Å; R94-E137 PolarHBondContact NH1-OE2 2.86Å; R94-E137 IonicContact NH2-OE2 3.16Å; R94-E137 PolarHBondContact NH2-OE2 3.23Å
95R98.1Very high97.6Very high171 Ų17135.8 Ų35.865%0.64516%0.162SC*.Hα-helixtrans-64-39.8-178.8-177-178.8176.6-170.6-2.7111.3N93 F97 Q98 N99N93-R95 PolarHBondContact O-N 3.13Å; N93-R95 WeakPolarHBondContact OD1-CB 3.47Å; N93-R95 PolarHBondContact OD1-N 3.23Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; R95-F97 VanDerWaalsContact C-N 3.26Å; R95-F97 PolarHBondContact O-N 3.16Å; R95-Q98 PolarHBondContact O-N 2.7Å; R95-N99 PolarHBondContact O-N 2.85Å; R95-N99 PolarHBondContact O-ND2 3.49Å
96S98.4Very high97.3Very high1 Ų136.5 Ų36.51%0.00717%0.166CC..Hα-helixtrans-62.6-35177.873.80000112.3D90 N93 R94 N99 V100D90-S96 PolarHBondContact N-OG 3.14Å; D90-S96 PolarHBondContact O-OG 3.18Å; N93-S96 PolarHBondContact O-N 3.36Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 3.37Å; N93-S96 PolarHBondContact OD1-N 3.46Å; R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 3.33Å; S96-N99 PolarHBondContact O-N 3.25Å; S96-V100 PolarHBondContact O-N 3.5Å
97F98.7Very high97Very high17 Ų1736.5 Ų36.58%0.07517%0.166CC..Hα-helixtrans-70.4-41.7174.2179.1-112.4000112.6F89 R94 R95 N99 V100 V133 E137 A138 L141F89-F97 HydrophobicContact CB-CB 4.37Å; F89-F97 AromaticContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CB 3.8Å; F89-F97 AromaticContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CG 4.26Å; F89-F97 AromaticContact CE1-CD2 3.75Å; F89-F97 HydrophobicContact CE1-CD2 3.75Å; F89-F97 HydrophobicContact CE1-CE2 4.11Å; F89-F97 HydrophobicContact CE2-CB 4.29Å; F89-F97 AromaticContact CE2-CD2 3.74Å; F89-F97 HydrophobicContact CE2-CD2 3.74Å; F89-F97 HydrophobicContact CE2-CE2 4.48Å; F89-F97 HydrophobicContact CE2-CG 4.32Å; F89-F97 HydrophobicContact CG-CB 4.12Å; F89-F97 AromaticContact CG-CD2 3.93Å; F89-F97 HydrophobicContact CG-CD2 3.93Å; F89-F97 AromaticContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CE2 4.04Å; R94-F97 WeakPolarHBondContact O-CB 3.42Å; R94-F97 PolarHBondContact O-N 3.14Å; R95-F97 VanDerWaalsContact C-N 3.26Å; R95-F97 PolarHBondContact O-N 3.16Å; F97-N99 PolarHBondContact O-N 2.69Å; F97-V100 HydrophobicContact CD2-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.23Å; F97-V100 WeakPolarHBondContact O-CB 3.42Å; F97-V100 VanDerWaalsContact O-CG2 3.24Å; F97-V100 WeakPolarHBondContact O-CG2 3.34Å; F97-V100 PolarHBondContact O-N 2.69Å; F97-V100 VanDerWaalsContact O-N 3.13Å; F97-V133 HydrophobicContact CB-CG1 4.36Å; F97-V133 HydrophobicContact CB-CG2 3.66Å; F97-V133 HydrophobicContact CD1-CG1 3.82Å; F97-V133 HydrophobicContact CD1-CG2 4.12Å; F97-V133 HydrophobicContact CD2-CG1 3.84Å; F97-V133 HydrophobicContact CE1-CG1 3.98Å; F97-V133 HydrophobicContact CE2-CG1 4Å; F97-V133 HydrophobicContact CG-CG1 3.74Å; F97-V133 HydrophobicContact CG-CG2 3.91Å; F97-V133 HydrophobicContact CZ-CG1 4.06Å; F97-E137 HydrophobicContact CE1-CG 4.04Å; F97-E137 HydrophobicContact CZ-CG 4.07Å; F97-A138 HydrophobicContact CE2-CB 3.94Å; F97-A138 HydrophobicContact CZ-CB 4.38Å; F97-L141 HydrophobicContact CD2-CD2 4.18Å; F97-L141 HydrophobicContact CE1-CD2 4.41Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; F97-L141 HydrophobicContact CE2-CD2 3.43Å; F97-L141 VanDerWaalsContact CE2-CD2 3.43Å; F97-L141 HydrophobicContact CE2-CG 4.47Å; F97-L141 HydrophobicContact CZ-CB 3.97Å; F97-L141 HydrophobicContact CZ-CD2 3.58Å; F97-L141 HydrophobicContact CZ-CG 4.36Å
98Q98.1Very high96.7Very high122 Ų12241.7 Ų41.757%0.5719%0.185SC*.Hα-helixtrans-60.6-32.9174.4-70169.8-22.900112.1R94 R95 V100R94-Q98 WeakPolarHBondContact O-CG 3.47Å; R94-Q98 PolarHBondContact O-N 2.76Å; R95-Q98 PolarHBondContact O-N 2.7Å; Q98-V100 VanDerWaalsContact C-N 3.29Å; Q98-V100 PolarHBondContact O-N 2.75Å
99N97.7Very high96.3Very high32 Ų3244.9 Ų44.917%0.17121%0.208CC..THydrogen-bonded Turntrans-76.8-9.2178.6-75.7-23.3000114.5D16 R95 S96 F97 H101 N102 W103D16-N99 PolarHBondContact OD1-ND2 3.49Å; D16-N99 PolarHBondContact OD2-ND2 3.08Å; R95-N99 PolarHBondContact O-N 2.85Å; R95-N99 PolarHBondContact O-ND2 3.49Å; S96-N99 PolarHBondContact O-N 3.25Å; F97-N99 PolarHBondContact O-N 2.69Å; N99-H101 VanDerWaalsContact C-N 3.27Å; N99-H101 PolarHBondContact O-N 2.75Å; N99-N102 WeakPolarHBondContact O-CB 3.17Å; N99-N102 PolarHBondContact O-N 2.88Å; N99-N102 VanDerWaalsContact O-N 3.08Å; N99-N102 PolarHBondContact OD1-ND2 2.94Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.84Å; N99-W103 VanDerWaalsContact O-N 3.14Å
100V98Very high95.8Very high1 Ų148.4 Ų48.41%0.00622%0.224CC..Hα-helixtrans-53.7-44.1177.9167.80000111.4L87 F89 S96 F97 Q98 N102 W103 L104 L120 L141L87-V100 HydrophobicContact CD2-CG1 3.64Å; L87-V100 HydrophobicContact CG-CG1 4.18Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4Å; F89-V100 HydrophobicContact CG-CG2 4.29Å; S96-V100 PolarHBondContact O-N 3.5Å; F97-V100 HydrophobicContact CD2-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.23Å; F97-V100 WeakPolarHBondContact O-CB 3.42Å; F97-V100 VanDerWaalsContact O-CG2 3.24Å; F97-V100 WeakPolarHBondContact O-CG2 3.34Å; F97-V100 PolarHBondContact O-N 2.69Å; F97-V100 VanDerWaalsContact O-N 3.13Å; Q98-V100 VanDerWaalsContact C-N 3.29Å; Q98-V100 PolarHBondContact O-N 2.75Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.47Å; V100-W103 PolarHBondContact O-N 3.31Å; V100-L104 WeakPolarHBondContact O-CB 3.42Å; V100-L104 PolarHBondContact O-N 3.35Å; V100-L120 HydrophobicContact CG1-CD1 3.62Å; V100-L120 HydrophobicContact CG2-CD1 4.07Å; V100-L141 HydrophobicContact CB-CD2 4.14Å; V100-L141 HydrophobicContact CG1-CD2 3.84Å
101H95.9Very high95.2Very high80 Ų8048.4 Ų48.437%0.3722%0.224SC..Hα-helixtrans-57.2-47.2177.3174.368.2000111.8N99 W103 L104 E105 Y145N99-H101 VanDerWaalsContact C-N 3.27Å; N99-H101 PolarHBondContact O-N 2.75Å; H101-W103 VanDerWaalsContact C-N 3.33Å; H101-W103 PolarHBondContact O-N 3.48Å; H101-L104 PolarHBondContact O-N 2.86Å; H101-E105 VanDerWaalsContact CE1-CG 3.42Å; H101-E105 WeakPolarHBondContact CE1-CG 3.48Å; H101-E105 IonicContact CE1-OE1 3.09Å; H101-E105 WeakPolarHBondContact O-CG 3.4Å; H101-E105 PolarHBondContact O-N 3.24Å; H101-Y145 AromaticContact ND1-CZ 3.68Å; H101-Y145 PolarHBondContact ND1-OH 3.41Å
102N95.4Very high94.4Very high77 Ų7755.3 Ų55.341%0.41226%0.257SS..Hα-helixtrans-63-40.2-178.1-62-29.3000112N99 V100 E106N99-N102 WeakPolarHBondContact O-CB 3.17Å; N99-N102 PolarHBondContact O-N 2.88Å; N99-N102 VanDerWaalsContact O-N 3.08Å; N99-N102 PolarHBondContact OD1-ND2 2.94Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.47Å; N102-E106 WeakPolarHBondContact O-CB 3.14Å; N102-E106 PolarHBondContact O-N 2.69Å; N102-E106 VanDerWaalsContact O-N 3.07Å
103W95.6Very high93.5Very high2 Ų259.6 Ų59.61%0.00829%0.285CS..Hα-helixtrans-66-41.4175.9-78.6108.3000112.3I14 G15 D16 R72 T75 L87 N99 V100 H101 A107I14-W103 HydrophobicContact CB-CE3 4.11Å; I14-W103 HydrophobicContact CB-CZ3 4.42Å; I14-W103 HydrophobicContact CD1-CB 4.36Å; I14-W103 HydrophobicContact CD1-CE3 4.44Å; G15-W103 VanDerWaalsContact C-CE2 3.46Å; G15-W103 VanDerWaalsContact O-CZ2 3.3Å; G15-W103 WeakPolarHBondContact O-CZ2 3.46Å; D16-W103 PolarHBondContact OD1-NE1 3.13Å; R72-W103 HydrophobicContact CG-CH2 4.2Å; R72-W103 HydrophobicContact CG-CZ3 4.49Å; T75-W103 HydrophobicContact CG2-CZ3 4.42Å; L87-W103 HydrophobicContact CD1-CB 3.55Å; L87-W103 HydrophobicContact CD1-CG 4.16Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.84Å; N99-W103 VanDerWaalsContact O-N 3.14Å; V100-W103 PolarHBondContact O-N 3.31Å; H101-W103 VanDerWaalsContact C-N 3.33Å; H101-W103 PolarHBondContact O-N 3.48Å; W103-A107 WeakPolarHBondContact O-CB 3.49Å; W103-A107 PolarHBondContact O-N 3.47Å
104L94.8Very high92.8Very high0 Ų058.8 Ų58.80%028%0.28CS..Hα-helixtrans-66.1-46.8179.6-176.863.4000112L87 V100 H101 A107 R108 F118 Y145 M147L87-L104 HydrophobicContact CD2-CB 4.09Å; V100-L104 WeakPolarHBondContact O-CB 3.42Å; V100-L104 PolarHBondContact O-N 3.35Å; H101-L104 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 3.31Å; L104-R108 HydrophobicContact CD1-CG 4.42Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 WeakPolarHBondContact O-CG 3.49Å; L104-R108 PolarHBondContact O-N 3.35Å; L104-F118 HydrophobicContact CD1-CD2 3.76Å; L104-F118 HydrophobicContact CD1-CE2 4.07Å; L104-F118 HydrophobicContact CD1-CG 4.31Å; L104-Y145 HydrophobicContact CD2-CD1 3.4Å; L104-Y145 HydrophobicContact CD2-CD2 3.74Å; L104-Y145 HydrophobicContact CD2-CE1 3.88Å; L104-Y145 HydrophobicContact CD2-CE2 4.17Å; L104-Y145 HydrophobicContact CD2-CG 3.34Å; L104-M147 HydrophobicContact CD1-SD 4.19Å; L104-M147 HydrophobicContact CD2-CE 4.1Å; L104-M147 HydrophobicContact CD2-SD 4.46Å
105E93.4Very high92.3Very high84 Ų8458.2 Ų58.239%0.39329%0.289SS..Hα-helixtrans-64.5-39.6177.8-70.1-5613100112H101 R108 S109H101-E105 VanDerWaalsContact CE1-CG 3.42Å; H101-E105 WeakPolarHBondContact CE1-CG 3.48Å; H101-E105 IonicContact CE1-OE1 3.09Å; H101-E105 WeakPolarHBondContact O-CG 3.4Å; H101-E105 PolarHBondContact O-N 3.24Å; E105-R108 PolarHBondContact O-N 3.37Å; E105-S109 WeakPolarHBondContact O-CB 3.2Å; E105-S109 PolarHBondContact O-N 3.4Å; E105-S109 PolarHBondContact O-OG 3.47Å
106E92Very high92.1Very high15 Ų1550.9 Ų50.97%0.0726%0.263CS..Hα-helixtrans-61.4-45.5173.6-171.8-178.588.200111.4R72 R76 Y79 N102 S109 H110R72-E106 WeakPolarHBondContact CD-OE2 3.42Å; R72-E106 IonicContact NH1-OE2 2.73Å; R76-E106 HydrophobicContact CG-CG 4.45Å; R76-E106 IonicContact CZ-OE2 3.89Å; R76-E106 IonicContact NE-OE1 2.74Å; R76-E106 IonicContact NE-OE2 2.76Å; R76-E106 PolarHBondContact NE-OE2 3.16Å; R76-E106 VanDerWaalsContact NE-OE2 3.09Å; R76-E106 IonicContact NH2-OE2 3.93Å; R76-E106 PolarHBondContact NH2-OE2 2.88Å; Y79-E106 HydrophobicContact CE2-CG 4.11Å; Y79-E106 PolarHBondContact OH-OE1 3.09Å; N102-E106 WeakPolarHBondContact O-CB 3.14Å; N102-E106 PolarHBondContact O-N 2.69Å; N102-E106 VanDerWaalsContact O-N 3.07Å; E106-S109 PolarHBondContact O-N 3.2Å; E106-S109 PolarHBondContact O-OG 3.23Å; E106-H110 PolarHBondContact O-N 3.48Å; E106-H110 PolarHBondContact O-ND1 2.86Å
107A92.8Very high92Very high0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-64.4-45.6179.100000112I14 Y79 W103 L104 S109 H110 V111 F118I14-A107 HydrophobicContact CD1-CB 4.22Å; Y79-A107 HydrophobicContact CD1-CB 3.96Å; Y79-A107 HydrophobicContact CE1-CB 3.79Å; Y79-A107 HydrophobicContact CG-CB 4.43Å; W103-A107 WeakPolarHBondContact O-CB 3.49Å; W103-A107 PolarHBondContact O-N 3.47Å; L104-A107 PolarHBondContact O-N 3.31Å; A107-S109 VanDerWaalsContact C-N 3.3Å; A107-S109 PolarHBondContact O-N 3.22Å; A107-H110 PolarHBondContact O-N 2.92Å; A107-H110 VanDerWaalsContact O-N 3.14Å; A107-V111 WeakPolarHBondContact O-CG1 3.28Å; A107-V111 PolarHBondContact O-N 3.22Å; A107-F118 HydrophobicContact CB-CE2 3.86Å; A107-F118 HydrophobicContact CB-CZ 3.56Å
108R91.3Very high92Very high109 Ų10951.4 Ų51.441%0.41127%0.266SS..Hα-helixtrans-61.3-35.9179.9-76.5178.2172.5-179.8-3.4112.8L104 E105 H110 Y145L104-R108 HydrophobicContact CD1-CG 4.42Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 WeakPolarHBondContact O-CG 3.49Å; L104-R108 PolarHBondContact O-N 3.35Å; E105-R108 PolarHBondContact O-N 3.37Å; R108-H110 VanDerWaalsContact C-N 3.29Å; R108-H110 PolarHBondContact O-N 2.93Å; R108-Y145 PolarHBondContact NH2-O 2.93Å
109S90.6Very high92Very high70 Ų7045.8 Ų45.849%0.4924%0.24SC..Hα-helixtrans-72.1-19177.952.60000114.3E105 E106 A107E105-S109 WeakPolarHBondContact O-CB 3.2Å; E105-S109 PolarHBondContact O-N 3.4Å; E105-S109 PolarHBondContact O-OG 3.47Å; E106-S109 PolarHBondContact O-N 3.2Å; E106-S109 PolarHBondContact O-OG 3.23Å; A107-S109 VanDerWaalsContact C-N 3.3Å; A107-S109 PolarHBondContact O-N 3.22Å
110H87.9Confident92.1Very high74 Ų7444.2 Ų44.234%0.34323%0.232SC..Hα-helixtrans-112.7-5.2-173.4-69.179000114.7R76 Y79 E106 A107 R108R76-H110 WeakPolarHBondContact CD-NE2 3.47Å; Y79-H110 HydrophobicContact CD2-CB 3.65Å; Y79-H110 HydrophobicContact CG-CB 4.35Å; E106-H110 PolarHBondContact O-N 3.48Å; E106-H110 PolarHBondContact O-ND1 2.86Å; A107-H110 PolarHBondContact O-N 2.92Å; A107-H110 VanDerWaalsContact O-N 3.14Å; R108-H110 VanDerWaalsContact C-N 3.29Å; R108-H110 PolarHBondContact O-N 2.93Å
111V87Confident92.1Very high6 Ų644.2 Ų44.24%0.03623%0.231CC..SBendtrans-91-7.3-179.265.60000113.8A107 H114 I116A107-V111 WeakPolarHBondContact O-CG1 3.28Å; A107-V111 PolarHBondContact O-N 3.22Å; V111-H114 CarbonylContact C-O 3.58Å; V111-H114 VanDerWaalsContact CG1-O 3.3Å; V111-H114 WeakPolarHBondContact CG1-O 3.49Å; V111-H114 HydrophobicContact CG2-CB 4.25Å; V111-H114 PolarHBondContact O-N 2.98Å; V111-I116 HydrophobicContact CB-CD1 4.16Å; V111-I116 HydrophobicContact CB-CG1 3.96Å; V111-I116 HydrophobicContact CG1-CG1 4.3Å; V111-I116 HydrophobicContact CG2-CD1 3.88Å; V111-I116 HydrophobicContact CG2-CG1 3.34Å
112Q80.6Confident92.3Very high145 Ų14540.4 Ų40.468%0.67821%0.214SC*.THydrogen-bonded Turntrans-54.4140.4-179.4-65.3-17310.500112.4
113P80.1Confident92.4Very high109 Ų10937 Ų3771%0.70820%0.195SC*.THydrogen-bonded Turncis-84.65.36.434.4-37000115.4
114H83.6Confident92.5Very high30 Ų3039.2 Ų39.214%0.13921%0.205CC..SBendtrans-95.3175.4-174.2-53.873.7000111V111 Q183 W186V111-H114 CarbonylContact C-O 3.58Å; V111-H114 VanDerWaalsContact CG1-O 3.3Å; V111-H114 WeakPolarHBondContact CG1-O 3.49Å; V111-H114 HydrophobicContact CG2-CB 4.25Å; V111-H114 PolarHBondContact O-N 2.98Å; H114-Q183 VanDerWaalsContact NE2-CD 3.31Å; H114-Q183 PolarHBondContact NE2-OE1 2.98Å; H114-Q183 VanDerWaalsContact NE2-OE1 3.08Å; H114-W186 HydrophobicContact CB-CZ2 4.03Å; H114-W186 AromaticContact CD2-CD1 3.9Å; H114-W186 AromaticContact CD2-CD2 3.27Å; H114-W186 AromaticContact CD2-CE2 3.33Å; H114-W186 AromaticContact CD2-CE3 3.62Å; H114-W186 AromaticContact CD2-CG 3.65Å; H114-W186 AromaticContact CD2-CZ2 3.74Å; H114-W186 AromaticContact CD2-CZ3 3.99Å; H114-W186 AromaticContact CD2-NE1 3.72Å; H114-W186 AromaticContact CE1-CD1 3.79Å; H114-W186 AromaticContact CE1-CG 3.77Å; H114-W186 AromaticContact CG-CE2 3.69Å; H114-W186 AromaticContact CG-NE1 3.71Å; H114-W186 AromaticContact ND1-CD1 3.97Å; H114-W186 AromaticContact NE2-CD1 3.72Å; H114-W186 AromaticContact NE2-CD2 3.42Å; H114-W186 AromaticContact NE2-CE2 3.9Å; H114-W186 AromaticContact NE2-CE3 3.86Å; H114-W186 AromaticContact NE2-CG 3.3Å; H114-W186 VanDerWaalsContact NE2-CG 3.3Å
115S87.6Confident92.7Very high77 Ų7740 Ų4054%0.53821%0.21SC..  trans-122.2150.7170.261.40000110.5
116I94.3Very high93Very high18 Ų1837.4 Ų37.49%0.09220%0.199CC..  trans-102.3130.1172.6-54.2-176.6000108I12 Y79 V111 F118I12-I116 HydrophobicContact CG2-CD1 4.47Å; Y79-I116 HydrophobicContact CD1-CD1 4.28Å; V111-I116 HydrophobicContact CB-CD1 4.16Å; V111-I116 HydrophobicContact CB-CG1 3.96Å; V111-I116 HydrophobicContact CG1-CG1 4.3Å; V111-I116 HydrophobicContact CG2-CD1 3.88Å; V111-I116 HydrophobicContact CG2-CG1 3.34Å; I116-F118 HydrophobicContact CB-CD2 3.94Å; I116-F118 HydrophobicContact CB-CE2 3.52Å; I116-F118 HydrophobicContact CB-CZ 3.97Å; I116-F118 HydrophobicContact CD1-CE2 4.16Å; I116-F118 HydrophobicContact CD1-CZ 3.92Å; I116-F118 HydrophobicContact CG1-CE2 4.3Å; I116-F118 HydrophobicContact CG1-CZ 4.49Å; I116-F118 HydrophobicContact CG2-CD1 4.31Å; I116-F118 HydrophobicContact CG2-CD2 3.92Å; I116-F118 HydrophobicContact CG2-CE1 4.05Å; I116-F118 HydrophobicContact CG2-CE2 3.66Å; I116-F118 HydrophobicContact CG2-CG 4.25Å; I116-F118 HydrophobicContact CG2-CZ 3.71Å; I116-F118 PolarHBondContact O-N 3.08Å
117V97.4Very high93.2Very high15 Ų1538.9 Ų38.99%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-77.2112.8168.6-176.20000108.3V83 G84 G85 L167 E170 I171 L174 I180V83-V117 PolarHBondContact O-N 3.17Å; G84-V117 CarbonylContact C-O 3.49Å; G84-V117 VanDerWaalsContact CA-O 3.26Å; G84-V117 WeakPolarHBondContact CA-O 3.35Å; G85-V117 PolarHBondContact N-O 3.42Å; V117-L167 HydrophobicContact CB-CD1 4.27Å; V117-L167 HydrophobicContact CG1-CD1 3.84Å; V117-L167 WeakPolarHBondContact O-CD1 3.23Å; V117-E170 HydrophobicContact CG1-CG 3.91Å; V117-I171 HydrophobicContact CB-CD1 4.49Å; V117-I171 HydrophobicContact CB-CG1 3.89Å; V117-I171 HydrophobicContact CG1-CG1 4.22Å; V117-I171 HydrophobicContact CG2-CG1 3.99Å; V117-L174 HydrophobicContact CG2-CD1 3.56Å; V117-I180 HydrophobicContact CG2-CD1 3.82Å
118F98Very high93.5Very high13 Ų1344 Ų446%0.05723%0.231CC..EExtended strand (participates in β ladder)trans-103136.7-177.6-81.7-74.7000113I14 G85 L87 L104 A107 I116 M147I14-F118 HydrophobicContact CD1-CE1 3.64Å; I14-F118 HydrophobicContact CD1-CZ 3.9Å; I14-F118 HydrophobicContact CG1-CE1 4.11Å; G85-F118 WeakPolarHBondContact O-CA 3.39Å; G85-F118 WeakPolarHBondContact O-CD1 3.44Å; L87-F118 HydrophobicContact CB-CD1 4.14Å; L104-F118 HydrophobicContact CD1-CD2 3.76Å; L104-F118 HydrophobicContact CD1-CE2 4.07Å; L104-F118 HydrophobicContact CD1-CG 4.31Å; A107-F118 HydrophobicContact CB-CE2 3.86Å; A107-F118 HydrophobicContact CB-CZ 3.56Å; I116-F118 HydrophobicContact CB-CD2 3.94Å; I116-F118 HydrophobicContact CB-CE2 3.52Å; I116-F118 HydrophobicContact CB-CZ 3.97Å; I116-F118 HydrophobicContact CD1-CE2 4.16Å; I116-F118 HydrophobicContact CD1-CZ 3.92Å; I116-F118 HydrophobicContact CG1-CE2 4.3Å; I116-F118 HydrophobicContact CG1-CZ 4.49Å; I116-F118 HydrophobicContact CG2-CD1 4.31Å; I116-F118 HydrophobicContact CG2-CD2 3.92Å; I116-F118 HydrophobicContact CG2-CE1 4.05Å; I116-F118 HydrophobicContact CG2-CE2 3.66Å; I116-F118 HydrophobicContact CG2-CG 4.25Å; I116-F118 HydrophobicContact CG2-CZ 3.71Å; I116-F118 PolarHBondContact O-N 3.08Å; F118-M147 HydrophobicContact CB-CG 3.99Å; F118-M147 HydrophobicContact CB-SD 3.42Å; F118-M147 WeakPolarHBondContact CB-SD 3.42Å; F118-M147 HydrophobicContact CG-SD 4.37Å
119L98.6Very high93.8Very high4 Ų444 Ų442%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-106.6123.6164.8177.766.8000109G85 L87 V121 R148 V150 A163 L167G85-L119 PolarHBondContact O-N 3.2Å; L87-L119 PolarHBondContact N-O 3.39Å; L119-V121 HydrophobicContact CD2-CG2 4.25Å; L119-V121 HydrophobicContact CG-CG2 4.12Å; L119-R148 HydrophobicContact CD1-CB 3.74Å; L119-V150 HydrophobicContact CD1-CG1 4.16Å; L119-V150 HydrophobicContact CD2-CG1 3.79Å; L119-V150 HydrophobicContact CG-CG1 4.09Å; L119-A163 HydrophobicContact CD2-CB 3.95Å; L119-A163 VanDerWaalsContact CD2-O 3.25Å; L119-A163 WeakPolarHBondContact CD2-O 3.49Å; L119-L167 HydrophobicContact CB-CD1 4.39Å; L119-L167 HydrophobicContact CD2-CB 4.38Å
120L98.8Very high94.2Very high0 Ų046.3 Ų46.30%026%0.258CS..EExtended strand (participates in β ladder)trans-78.1129.9171.9-174.467.7000109.4L87 F89 V100 A142 M147 R148 Y149 V150L87-L120 HydrophobicContact CB-CD1 4.49Å; L87-L120 HydrophobicContact CD2-CD1 4.41Å; L87-L120 HydrophobicContact CG-CD1 4.15Å; F89-L120 HydrophobicContact CD1-CD1 3.92Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 4.04Å; F89-L120 HydrophobicContact CE1-CD2 4.05Å; F89-L120 HydrophobicContact CE1-CG 3.91Å; V100-L120 HydrophobicContact CG1-CD1 3.62Å; V100-L120 HydrophobicContact CG2-CD1 4.07Å; L120-A142 HydrophobicContact CB-CB 4.2Å; L120-A142 HydrophobicContact CD2-CB 3.85Å; L120-M147 HydrophobicContact CB-CE 4.23Å; L120-M147 HydrophobicContact CD1-CE 4.46Å; L120-R148 WeakPolarHBondContact CB-O 3.45Å; L120-R148 PolarHBondContact N-O 2.79Å; L120-Y149 HydrophobicContact CB-CD2 4.06Å; L120-Y149 HydrophobicContact CD2-CD2 3.84Å; L120-Y149 HydrophobicContact CD2-CE2 4.35Å; L120-Y149 HydrophobicContact CG-CD2 3.82Å; L120-Y149 HydrophobicContact CG-CE2 4.33Å; L120-Y149 WeakPolarHBondContact O-CA 3.49Å; L120-Y149 WeakPolarHBondContact O-CD2 3.34Å; L120-V150 PolarHBondContact O-N 3.08Å
121V98.9Very high94.7Very high0 Ų045.5 Ų45.50%025%0.252CS..EExtended strand (participates in β ladder)trans-123.8115.4-176.4-177.60000110.6L24 L86 L87 L88 F89 L119 H123 V150 T152L24-V121 HydrophobicContact CD2-CG1 4.35Å; L86-V121 HydrophobicContact CB-CG2 4.23Å; L86-V121 HydrophobicContact CD2-CG2 4.12Å; L87-V121 PolarHBondContact O-N 2.95Å; L88-V121 WeakPolarHBondContact CA-O 3.47Å; L88-V121 HydrophobicContact CD1-CB 3.81Å; L88-V121 HydrophobicContact CD1-CG1 4.28Å; L88-V121 HydrophobicContact CD1-CG2 4.01Å; L88-V121 HydrophobicContact CG-CB 3.87Å; L88-V121 HydrophobicContact CG-CG1 4.03Å; F89-V121 WeakPolarHBondContact CD1-O 3.23Å; F89-V121 PolarHBondContact N-O 3.29Å; L119-V121 HydrophobicContact CD2-CG2 4.25Å; L119-V121 HydrophobicContact CG-CG2 4.12Å; V121-H123 PolarHBondContact O-N 3.32Å; V121-V150 WeakPolarHBondContact CA-O 3.38Å; V121-V150 HydrophobicContact CG2-CG1 4.13Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.23Å
122G98.8Very high95.3Very high0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-84.9104.416700000109.4V150 E151 T152G122-V150 PolarHBondContact N-O 3.06Å; G122-E151 CarbonylContact O-C 3.53Å; G122-E151 WeakPolarHBondContact O-CA 3.5Å; G122-T152 PolarHBondContact O-N 2.93Å
123H98.8Very high96.1Very high5 Ų543.2 Ų43.22%0.02324%0.241CC..EExtended strand (participates in β ladder)trans-92.7161.1-175.5-158.658.1000112.6V19 F89 I91 V121 T152 A154V19-H123 PolarHBondContact O-CD2 2.74Å; F89-H123 WeakPolarHBondContact O-CB 3.42Å; F89-H123 PolarHBondContact O-N 3.01Å; I91-H123 WeakPolarHBondContact CG1-O 3.24Å; I91-H123 PolarHBondContact N-O 3.14Å; V121-H123 PolarHBondContact O-N 3.32Å; H123-T152 CarbonylContact C-O 3.42Å; H123-T152 WeakPolarHBondContact CA-O 3.3Å; H123-T152 PolarHBondContact ND1-O 3.28Å; H123-T152 PolarHBondContact ND1-OG1 3Å; H123-A154 PolarHBondContact CE1-N 2.79Å
124K98.4Very high97Very high49 Ų4941.4 Ų41.421%0.21323%0.227CC..  trans66.437.4-178.6-45.9-172.2-167.2164.40113.7T18 D90 D126 L127 T152T18-K124 WeakPolarHBondContact O-CE 3.43Å; T18-K124 PolarHBondContact O-NZ 2.77Å; D90-K124 WeakPolarHBondContact OD2-CD 3.33Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.43Å; D90-K124 IonicContact OD2-NZ 3.09Å; D90-K124 PolarHBondContact OD2-NZ 3.44Å; K124-D126 WeakPolarHBondContact CA-OD1 3.34Å; K124-D126 PolarHBondContact O-N 2.66Å; K124-L127 HydrophobicContact CB-CD1 4.2Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 3.48Å; K124-T152 PolarHBondContact N-O 3.07Å
125C98.6Very high97.7Very high17 Ų1744.9 Ų44.912%0.11524%0.244CC..G310 helixtrans-61.9-14.4176.565.80000114.1I91 L127 E128 E151 T152I91-C125 HydrophobicContact CD1-CB 4.38Å; C125-L127 PolarHBondContact O-N 3.12Å; C125-E128 PolarHBondContact O-N 2.99Å; C125-E151 HydrophobicContact CB-CB 4Å; C125-T152 PolarHBondContact N-O 2.76Å; C125-T152 PolarHBondContact SG-O 3.35Å
126D98.4Very high98.2Very high30 Ų3047.6 Ų47.616%0.1625%0.248CC..G310 helixtrans-67.5-8.517062-90.2000114.8K124 S153 R155 D156K124-D126 WeakPolarHBondContact CA-OD1 3.34Å; K124-D126 PolarHBondContact O-N 2.66Å; D126-S153 VanDerWaalsContact CB-OG 3.31Å; D126-S153 WeakPolarHBondContact CB-OG 3.49Å; D126-S153 WeakPolarHBondContact OD1-CB 3.28Å; D126-S153 PolarHBondContact OD1-OG 3.05Å; D126-R155 PolarHBondContact O-NH2 2.84Å; D126-R155 VanDerWaalsContact O-NH2 3.08Å; D126-R155 IonicContact OD2-CZ 3.67Å; D126-R155 IonicContact OD2-NE 2.81Å; D126-R155 PolarHBondContact OD2-NE 2.91Å; D126-R155 IonicContact OD2-NH1 3.89Å; D126-R155 PolarHBondContact OD2-NH1 2.81Å; D126-R155 IonicContact OD2-NH2 2.68Å; D126-D156 HydrophobicContact CB-CB 4.41Å; D126-D156 VanDerWaalsContact CB-OD2 3.24Å; D126-D156 WeakPolarHBondContact CB-OD2 3.4Å
127L97.8Very high98.4Very high46 Ų4648.8 Ų48.824%0.24125%0.253CS..G310 helixtrans-107.641.5175.5-60.8178.5000111.9T92 K124 C125 A129 Q130T92-L127 HydrophobicContact CG2-CB 3.55Å; T92-L127 HydrophobicContact CG2-CD1 4Å; T92-L127 HydrophobicContact CG2-CG 4.43Å; K124-L127 HydrophobicContact CB-CD1 4.2Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 3.48Å; C125-L127 PolarHBondContact O-N 3.12Å; L127-A129 PolarHBondContact O-N 3.44Å; L127-A129 VanDerWaalsContact O-N 3.12Å; L127-Q130 PolarHBondContact O-N 3.22Å
128E97.8Very high98.5Very high106 Ų10648.1 Ų48.150%0.49525%0.249SC..G310 helixtrans-50.6-39.8-176-17258.5-151.200113.8C125 Q130 R131C125-E128 PolarHBondContact O-N 2.99Å; E128-Q130 PolarHBondContact O-N 2.85Å; E128-Q130 VanDerWaalsContact O-N 3.09Å; E128-R131 VanDerWaalsContact CD-NE 3.26Å; E128-R131 WeakPolarHBondContact O-CB 3.36Å; E128-R131 PolarHBondContact O-N 3.1Å; E128-R131 VanDerWaalsContact O-N 3.08Å; E128-R131 IonicContact OE1-CZ 2.7Å; E128-R131 IonicContact OE1-NE 3.13Å; E128-R131 PolarHBondContact OE1-NE 3.41Å; E128-R131 IonicContact OE1-NH2 3.34Å; E128-R131 IonicContact OE2-CZ 2.64Å; E128-R131 VanDerWaalsContact OE2-CZ 3.28Å; E128-R131 IonicContact OE2-NE 3.18Å; E128-R131 PolarHBondContact OE2-NE 2.64Å; E128-R131 IonicContact OE2-NH2 2.65Å; E128-R131 PolarHBondContact OE2-NH2 2.75Å
129A98.2Very high98.5Very high109 Ų10951.4 Ų51.490%0.90126%0.264SS*.G310 helixtrans-63.3-16.8178.600000114.2L127L127-A129 PolarHBondContact O-N 3.44Å; L127-A129 VanDerWaalsContact O-N 3.12Å
130Q98.4Very high98.5Very high120 Ų12058.7 Ų58.756%0.56130%0.296SS*.G310 helixtrans-107.710.1179.6-58.8177.531.600112.2T92 L127 E128 Q132T92-Q130 WeakPolarHBondContact CA-O 3.43Å; T92-Q130 HydrophobicContact CG2-CB 3.78Å; L127-Q130 PolarHBondContact O-N 3.22Å; E128-Q130 PolarHBondContact O-N 2.85Å; E128-Q130 VanDerWaalsContact O-N 3.09Å; Q130-Q132 PolarHBondContact O-N 3.27Å
131R98.6Very high98.5Very high57 Ų5760.6 Ų60.622%0.21531%0.306CS..  trans-57.7129.7-177.2179.5-179.6-72.1-87.85.7111.7I91 E128 V133 E151I91-R131 HydrophobicContact CD1-CB 4.33Å; I91-R131 HydrophobicContact CD1-CG 4.38Å; E128-R131 VanDerWaalsContact CD-NE 3.26Å; E128-R131 WeakPolarHBondContact O-CB 3.36Å; E128-R131 PolarHBondContact O-N 3.1Å; E128-R131 VanDerWaalsContact O-N 3.08Å; E128-R131 IonicContact OE1-CZ 2.7Å; E128-R131 IonicContact OE1-NE 3.13Å; E128-R131 PolarHBondContact OE1-NE 3.41Å; E128-R131 IonicContact OE1-NH2 3.34Å; E128-R131 IonicContact OE2-CZ 2.64Å; E128-R131 VanDerWaalsContact OE2-CZ 3.28Å; E128-R131 IonicContact OE2-NE 3.18Å; E128-R131 PolarHBondContact OE2-NE 2.64Å; E128-R131 IonicContact OE2-NH2 2.65Å; E128-R131 PolarHBondContact OE2-NH2 2.75Å; R131-V133 VanDerWaalsContact CD-O 3.27Å; R131-V133 WeakPolarHBondContact CD-O 3.34Å; R131-V133 WeakPolarHBondContact CG-O 3.47Å; R131-V133 PolarHBondContact NH1-O 2.83Å; R131-E151 IonicContact CZ-OE1 3.28Å; R131-E151 IonicContact CZ-OE2 3.37Å; R131-E151 IonicContact NH1-OE1 3.66Å; R131-E151 PolarHBondContact NH1-OE1 3.44Å; R131-E151 IonicContact NH1-OE2 2.76Å; R131-E151 VanDerWaalsContact NH2-CD 3.31Å; R131-E151 IonicContact NH2-OE1 3.03Å; R131-E151 PolarHBondContact NH2-OE1 3.33Å; R131-E151 VanDerWaalsContact NH2-OE1 3.13Å; R131-E151 IonicContact NH2-OE2 2.69Å; R131-E151 PolarHBondContact NH2-OE2 2.93Å
132Q98.8Very high98.4Very high103 Ų10360.7 Ų60.748%0.48131%0.307SS..  trans-116.4-8.8173.8-59.9-175.97.800113I91 T92 R94 Q130I91-Q132 PolarHBondContact O-N 2.9Å; T92-Q132 WeakPolarHBondContact O-CG 3.41Å; T92-Q132 PolarHBondContact O-NE2 3.25Å; T92-Q132 PolarHBondContact O-OE1 3.02Å; R94-Q132 HydrophobicContact CB-CB 4.21Å; R94-Q132 WeakPolarHBondContact CD-O 3.18Å; R94-Q132 PolarHBondContact NH1-O 2.87Å; Q130-Q132 PolarHBondContact O-N 3.27Å
133V98.7Very high98.4Very high0 Ų063.3 Ų63.30%033%0.333CS..SBendtrans-128.4119.2179.8-1750000108.4F89 I91 F97 R131 E137 A138F89-V133 HydrophobicContact CE2-CB 4Å; F89-V133 HydrophobicContact CE2-CG1 3.77Å; F89-V133 HydrophobicContact CE2-CG2 4.26Å; F89-V133 HydrophobicContact CZ-CG1 4.17Å; I91-V133 PolarHBondContact O-N 2.89Å; F97-V133 HydrophobicContact CB-CG1 4.36Å; F97-V133 HydrophobicContact CB-CG2 3.66Å; F97-V133 HydrophobicContact CD1-CG1 3.82Å; F97-V133 HydrophobicContact CD1-CG2 4.12Å; F97-V133 HydrophobicContact CD2-CG1 3.84Å; F97-V133 HydrophobicContact CE1-CG1 3.98Å; F97-V133 HydrophobicContact CE2-CG1 4Å; F97-V133 HydrophobicContact CG-CG1 3.74Å; F97-V133 HydrophobicContact CG-CG2 3.91Å; F97-V133 HydrophobicContact CZ-CG1 4.06Å; R131-V133 VanDerWaalsContact CD-O 3.27Å; R131-V133 WeakPolarHBondContact CD-O 3.34Å; R131-V133 WeakPolarHBondContact CG-O 3.47Å; R131-V133 PolarHBondContact NH1-O 2.83Å; V133-E137 WeakPolarHBondContact CA-OE1 2.84Å; V133-E137 HydrophobicContact CG1-CG 3.75Å; V133-A138 HydrophobicContact CG1-CB 4.33Å
134T98.6Very high98.4Very high70 Ų7067 Ų6743%0.42937%0.365SS..  trans-72.5152.3178.362.40000111.2H136 E137 A138T134-H136 VanDerWaalsContact C-N 3.25Å; T134-H136 PolarHBondContact O-N 3.1Å; T134-E137 PolarHBondContact N-OE1 2.89Å; T134-E137 WeakPolarHBondContact O-CG 3.48Å; T134-E137 PolarHBondContact O-N 2.98Å; T134-E137 VanDerWaalsContact OG1-CG 3.3Å; T134-E137 WeakPolarHBondContact OG1-CG 3.17Å; T134-E137 PolarHBondContact OG1-N 3.44Å; T134-E137 PolarHBondContact OG1-OE1 3.32Å; T134-E137 VanDerWaalsContact OG1-OE1 3.13Å; T134-A138 PolarHBondContact O-N 3.47Å
135Q98.3Very high98.3Very high103 Ų10367.2 Ų67.248%0.48136%0.364SS..Hα-helixtrans-58.3-43.1174.2-164.6-173.7-25.800110.9E137 A138 E139 Y149Q135-E137 PolarHBondContact O-N 3.47Å; Q135-A138 PolarHBondContact O-N 3.48Å; Q135-E139 HydrophobicContact CG-CG 4.45Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.3Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 VanDerWaalsContact O-CG 3.32Å; Q135-E139 WeakPolarHBondContact O-CG 3.26Å; Q135-E139 PolarHBondContact O-N 2.66Å; Q135-Y149 HydrophobicContact CG-CD1 4.49Å; Q135-Y149 HydrophobicContact CG-CE1 3.84Å
136H98.5Very high98.1Very high135 Ų13569.7 Ų69.763%0.62539%0.393SS*.Hα-helixtrans-60.5-44-177.7-177.166.7000113.7T134 A138 E139 K140T134-H136 VanDerWaalsContact C-N 3.25Å; T134-H136 PolarHBondContact O-N 3.1Å; H136-A138 VanDerWaalsContact C-N 3.34Å; H136-E139 PolarHBondContact O-N 2.98Å; H136-K140 WeakPolarHBondContact O-CB 3.47Å; H136-K140 PolarHBondContact O-N 3.43Å
137E98.3Very high98.1Very high43 Ų4369 Ų6920%0.20139%0.389CS..Hα-helixtrans-70.7-32.6179.275.9-173.8116.700112.3R94 F97 V133 T134 Q135 K140 L141R94-E137 IonicContact CZ-OE1 2.86Å; R94-E137 IonicContact CZ-OE2 3.14Å; R94-E137 IonicContact NH1-OE1 2.7Å; R94-E137 PolarHBondContact NH1-OE1 3.44Å; R94-E137 IonicContact NH1-OE2 3.72Å; R94-E137 PolarHBondContact NH1-OE2 2.86Å; R94-E137 IonicContact NH2-OE2 3.16Å; R94-E137 PolarHBondContact NH2-OE2 3.23Å; F97-E137 HydrophobicContact CE1-CG 4.04Å; F97-E137 HydrophobicContact CZ-CG 4.07Å; V133-E137 WeakPolarHBondContact CA-OE1 2.84Å; V133-E137 HydrophobicContact CG1-CG 3.75Å; T134-E137 PolarHBondContact N-OE1 2.89Å; T134-E137 WeakPolarHBondContact O-CG 3.48Å; T134-E137 PolarHBondContact O-N 2.98Å; T134-E137 VanDerWaalsContact OG1-CG 3.3Å; T134-E137 WeakPolarHBondContact OG1-CG 3.17Å; T134-E137 PolarHBondContact OG1-N 3.44Å; T134-E137 PolarHBondContact OG1-OE1 3.32Å; T134-E137 VanDerWaalsContact OG1-OE1 3.13Å; Q135-E137 PolarHBondContact O-N 3.47Å; E137-K140 PolarHBondContact O-N 3.08Å; E137-L141 PolarHBondContact O-N 3.26Å
138A98.6Very high98.1Very high0 Ų071.5 Ų71.50%040%0.395CS..Hα-helixtrans-69.9-41175.800000111.8F89 F97 V133 T134 Q135 H136 L141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.3Å; F89-A138 HydrophobicContact CZ-CB 3.73Å; F97-A138 HydrophobicContact CE2-CB 3.94Å; F97-A138 HydrophobicContact CZ-CB 4.38Å; V133-A138 HydrophobicContact CG1-CB 4.33Å; T134-A138 PolarHBondContact O-N 3.47Å; Q135-A138 PolarHBondContact O-N 3.48Å; H136-A138 VanDerWaalsContact C-N 3.34Å; A138-L141 PolarHBondContact O-N 3.11Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 3.48Å; A138-Y149 HydrophobicContact CB-CD1 4.29Å; A138-Y149 HydrophobicContact CB-CD2 4.18Å; A138-Y149 HydrophobicContact CB-CE1 3.73Å; A138-Y149 HydrophobicContact CB-CE2 3.65Å; A138-Y149 HydrophobicContact CB-CG 4.47Å; A138-Y149 WeakPolarHBondContact CB-OH 3.3Å
139E98.6Very high98.1Very high83 Ų8368.2 Ų68.239%0.38838%0.379SS..Hα-helixtrans-60.6-44.1171.8-73.2171.7173.200111.6Q135 H136 L141 A142 G143 Y149Q135-E139 HydrophobicContact CG-CG 4.45Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.3Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 VanDerWaalsContact O-CG 3.32Å; Q135-E139 WeakPolarHBondContact O-CG 3.26Å; Q135-E139 PolarHBondContact O-N 2.66Å; H136-E139 PolarHBondContact O-N 2.98Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 2.9Å; E139-A142 PolarHBondContact O-N 2.62Å; E139-G143 PolarHBondContact O-N 2.99Å; E139-Y149 HydrophobicContact CG-CD1 3.55Å; E139-Y149 HydrophobicContact CG-CE1 4.25Å; E139-Y149 HydrophobicContact CG-CG 4.36Å
140K98.6Very high98.1Very high156 Ų15663.5 Ų63.568%0.67834%0.339SS*.Hα-helixtrans-60.7-43.1176.2-173.6178.6-179.9179.40111.7H136 E137 A144H136-K140 WeakPolarHBondContact O-CB 3.47Å; H136-K140 PolarHBondContact O-N 3.43Å; E137-K140 PolarHBondContact O-N 3.08Å; K140-A144 PolarHBondContact O-N 2.85Å
141L98.3Very high98.1Very high41 Ų4159 Ų5922%0.21532%0.318CS..Hα-helixtrans-64.6-44.7176.5-171.271.3000111.5F97 V100 E137 A138 E139 G143 A144 Y145F97-L141 HydrophobicContact CD2-CD2 4.18Å; F97-L141 HydrophobicContact CE1-CD2 4.41Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; F97-L141 HydrophobicContact CE2-CD2 3.43Å; F97-L141 VanDerWaalsContact CE2-CD2 3.43Å; F97-L141 HydrophobicContact CE2-CG 4.47Å; F97-L141 HydrophobicContact CZ-CB 3.97Å; F97-L141 HydrophobicContact CZ-CD2 3.58Å; F97-L141 HydrophobicContact CZ-CG 4.36Å; V100-L141 HydrophobicContact CB-CD2 4.14Å; V100-L141 HydrophobicContact CG1-CD2 3.84Å; E137-L141 PolarHBondContact O-N 3.26Å; A138-L141 PolarHBondContact O-N 3.11Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 2.9Å; L141-G143 PolarHBondContact O-N 3.36Å; L141-A144 PolarHBondContact O-N 3.49Å; L141-Y145 HydrophobicContact CD1-CD2 4.21Å; L141-Y145 HydrophobicContact CD1-CE2 3.53Å; L141-Y145 HydrophobicContact CD2-CE2 4.47Å; L141-Y145 HydrophobicContact CG-CD2 4.07Å; L141-Y145 HydrophobicContact CG-CE2 3.79Å; L141-Y145 VanDerWaalsContact O-CD2 3.23Å; L141-Y145 WeakPolarHBondContact O-CD2 3.3Å; L141-Y145 PolarHBondContact O-N 3.06Å
142A98.3Very high98.2Very high2 Ų256.3 Ų56.32%0.01731%0.308CS..Hα-helixtrans-59.9-47.3177.500000111.2L120 A138 E139 A144 Y145 G146 M147L120-A142 HydrophobicContact CB-CB 4.2Å; L120-A142 HydrophobicContact CD2-CB 3.85Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 3.48Å; E139-A142 PolarHBondContact O-N 2.62Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 2.94Å; A142-Y145 CarbonylContact O-C 3.48Å; A142-Y145 PolarHBondContact O-N 3.42Å; A142-Y145 VanDerWaalsContact O-N 3.09Å; A142-G146 PolarHBondContact O-N 2.82Å; A142-M147 CarbonylContact C-O 3.48Å; A142-M147 VanDerWaalsContact C-O 3.31Å; A142-M147 HydrophobicContact CB-CB 4.36Å; A142-M147 WeakPolarHBondContact CB-O 3.36Å; A142-M147 PolarHBondContact O-N 2.92Å
143G98.1Very high98.1Very high54 Ų5451.4 Ų51.456%0.55729%0.285SS*.Hα-helixtrans-59.1-41.3176.300000113.1E139 L141 Y145 G146E139-G143 PolarHBondContact O-N 2.99Å; L141-G143 PolarHBondContact O-N 3.36Å; G143-Y145 PolarHBondContact O-N 2.57Å; G143-G146 PolarHBondContact O-N 2.96Å; G143-G146 VanDerWaalsContact O-N 3.13Å
144A97.7Very high98.1Very high83 Ų8351.4 Ų51.469%0.68629%0.285SS*.Hα-helixtrans-61.9-27.7176.800000113.4K140 L141 A142K140-A144 PolarHBondContact O-N 2.85Å; L141-A144 PolarHBondContact O-N 3.49Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 2.94Å
145Y96.4Very high98Very high53 Ų5352.7 Ų52.721%0.20828%0.282CS..THydrogen-bonded Turntrans-99.20.7177.2-68.7-55.8000114.5H101 L104 R108 L141 A142 G143 M147H101-Y145 AromaticContact ND1-CZ 3.68Å; H101-Y145 PolarHBondContact ND1-OH 3.41Å; L104-Y145 HydrophobicContact CD2-CD1 3.4Å; L104-Y145 HydrophobicContact CD2-CD2 3.74Å; L104-Y145 HydrophobicContact CD2-CE1 3.88Å; L104-Y145 HydrophobicContact CD2-CE2 4.17Å; L104-Y145 HydrophobicContact CD2-CG 3.34Å; R108-Y145 PolarHBondContact NH2-O 2.93Å; L141-Y145 HydrophobicContact CD1-CD2 4.21Å; L141-Y145 HydrophobicContact CD1-CE2 3.53Å; L141-Y145 HydrophobicContact CD2-CE2 4.47Å; L141-Y145 HydrophobicContact CG-CD2 4.07Å; L141-Y145 HydrophobicContact CG-CE2 3.79Å; L141-Y145 VanDerWaalsContact O-CD2 3.23Å; L141-Y145 WeakPolarHBondContact O-CD2 3.3Å; L141-Y145 PolarHBondContact O-N 3.06Å; A142-Y145 CarbonylContact O-C 3.48Å; A142-Y145 PolarHBondContact O-N 3.42Å; A142-Y145 VanDerWaalsContact O-N 3.09Å; G143-Y145 PolarHBondContact O-N 2.57Å; Y145-M147 VanDerWaalsContact C-N 3.32Å; Y145-M147 HydrophobicContact CD2-CE 3.87Å; Y145-M147 HydrophobicContact CG-CE 4.15Å
146G95.8Very high98Very high69 Ų6951.6 Ų51.671%0.71128%0.279SS*.THydrogen-bonded Turntrans69.427.4-175.500000113.6A142 G143A142-G146 PolarHBondContact O-N 2.82Å; G143-G146 PolarHBondContact O-N 2.96Å; G143-G146 VanDerWaalsContact O-N 3.13Å
147M97Very high98Very high17 Ų1747.8 Ų47.88%0.08427%0.271CS..  trans-103.6152.2176.7-59.9-175.3-67.700110.5L87 L104 F118 L120 A142 Y145L87-M147 HydrophobicContact CD2-CE 4.41Å; L104-M147 HydrophobicContact CD1-SD 4.19Å; L104-M147 HydrophobicContact CD2-CE 4.1Å; L104-M147 HydrophobicContact CD2-SD 4.46Å; F118-M147 HydrophobicContact CB-CG 3.99Å; F118-M147 HydrophobicContact CB-SD 3.42Å; F118-M147 WeakPolarHBondContact CB-SD 3.42Å; F118-M147 HydrophobicContact CG-SD 4.37Å; L120-M147 HydrophobicContact CB-CE 4.23Å; L120-M147 HydrophobicContact CD1-CE 4.46Å; A142-M147 CarbonylContact C-O 3.48Å; A142-M147 VanDerWaalsContact C-O 3.31Å; A142-M147 HydrophobicContact CB-CB 4.36Å; A142-M147 WeakPolarHBondContact CB-O 3.36Å; A142-M147 PolarHBondContact O-N 2.92Å; Y145-M147 VanDerWaalsContact C-N 3.32Å; Y145-M147 HydrophobicContact CD2-CE 3.87Å; Y145-M147 HydrophobicContact CG-CE 4.15Å
148R97.8Very high98Very high97 Ų9749.1 Ų49.137%0.36628%0.279SS..EExtended strand (participates in β ladder)trans-78.4161.7162.5-67.3-170.2-67.3157.62.2110.6L119 L120 D166 E170L119-R148 HydrophobicContact CD1-CB 3.74Å; L120-R148 WeakPolarHBondContact CB-O 3.45Å; L120-R148 PolarHBondContact N-O 2.79Å; R148-D166 PolarHBondContact NH2-O 3.02Å; R148-E170 IonicContact CZ-OE2 2.86Å; R148-E170 IonicContact NE-OE2 2.82Å; R148-E170 PolarHBondContact NE-OE2 2.81Å; R148-E170 IonicContact NH2-OE2 3.11Å; R148-E170 PolarHBondContact NH2-OE2 3.16Å
149Y98.7Very high98Very high37 Ų3752.2 Ų52.215%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-125.5141.5176.8178-118.2000111.5F89 L120 Q135 A138 E139 E151F89-Y149 AromaticContact CE1-CE2 3.7Å; F89-Y149 HydrophobicContact CE1-CE2 3.7Å; F89-Y149 AromaticContact CZ-CE2 3.74Å; F89-Y149 HydrophobicContact CZ-CE2 3.74Å; L120-Y149 HydrophobicContact CB-CD2 4.06Å; L120-Y149 HydrophobicContact CD2-CD2 3.84Å; L120-Y149 HydrophobicContact CD2-CE2 4.35Å; L120-Y149 HydrophobicContact CG-CD2 3.82Å; L120-Y149 HydrophobicContact CG-CE2 4.33Å; L120-Y149 WeakPolarHBondContact O-CA 3.49Å; L120-Y149 WeakPolarHBondContact O-CD2 3.34Å; Q135-Y149 HydrophobicContact CG-CD1 4.49Å; Q135-Y149 HydrophobicContact CG-CE1 3.84Å; A138-Y149 HydrophobicContact CB-CD1 4.29Å; A138-Y149 HydrophobicContact CB-CD2 4.18Å; A138-Y149 HydrophobicContact CB-CE1 3.73Å; A138-Y149 HydrophobicContact CB-CE2 3.65Å; A138-Y149 HydrophobicContact CB-CG 4.47Å; A138-Y149 WeakPolarHBondContact CB-OH 3.3Å; E139-Y149 HydrophobicContact CG-CD1 3.55Å; E139-Y149 HydrophobicContact CG-CE1 4.25Å; E139-Y149 HydrophobicContact CG-CG 4.36Å; Y149-E151 HydrophobicContact CE1-CG 3.82Å; Y149-E151 WeakPolarHBondContact OH-CG 3.48Å; Y149-E151 PolarHBondContact OH-OE1 3.48Å; Y149-E151 VanDerWaalsContact OH-OE1 3.06Å
150V98.8Very high98Very high11 Ų1148.6 Ų48.67%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-145.5142.1171.1660000110.6L119 L120 V121 G122 T152 N159 A163L119-V150 HydrophobicContact CD1-CG1 4.16Å; L119-V150 HydrophobicContact CD2-CG1 3.79Å; L119-V150 HydrophobicContact CG-CG1 4.09Å; L120-V150 PolarHBondContact O-N 3.08Å; V121-V150 WeakPolarHBondContact CA-O 3.38Å; V121-V150 HydrophobicContact CG2-CG1 4.13Å; G122-V150 PolarHBondContact N-O 3.06Å; V150-T152 HydrophobicContact CG1-CG2 4.19Å; V150-T152 HydrophobicContact CG2-CG2 4.42Å; V150-N159 HydrophobicContact CG2-CB 3.91Å; V150-A163 HydrophobicContact CG1-CB 3.88Å
151E98.8Very high98Very high26 Ų2645 Ų4512%0.12127%0.265CS..EExtended strand (participates in β ladder)trans-94.5137.4169.3-71.1-167.9174.700111.5G122 C125 R131 Y149 N159G122-E151 CarbonylContact O-C 3.53Å; G122-E151 WeakPolarHBondContact O-CA 3.5Å; C125-E151 HydrophobicContact CB-CB 4Å; R131-E151 IonicContact CZ-OE1 3.28Å; R131-E151 IonicContact CZ-OE2 3.37Å; R131-E151 IonicContact NH1-OE1 3.66Å; R131-E151 PolarHBondContact NH1-OE1 3.44Å; R131-E151 IonicContact NH1-OE2 2.76Å; R131-E151 VanDerWaalsContact NH2-CD 3.31Å; R131-E151 IonicContact NH2-OE1 3.03Å; R131-E151 PolarHBondContact NH2-OE1 3.33Å; R131-E151 VanDerWaalsContact NH2-OE1 3.13Å; R131-E151 IonicContact NH2-OE2 2.69Å; R131-E151 PolarHBondContact NH2-OE2 2.93Å; Y149-E151 HydrophobicContact CE1-CG 3.82Å; Y149-E151 WeakPolarHBondContact OH-CG 3.48Å; Y149-E151 PolarHBondContact OH-OE1 3.48Å; Y149-E151 VanDerWaalsContact OH-OE1 3.06Å; E151-N159 WeakPolarHBondContact O-CB 3.5Å; E151-N159 PolarHBondContact O-ND2 3Å
152T98.8Very high98Very high0 Ų047.8 Ų47.80%028%0.275CS..EExtended strand (participates in β ladder)trans-135.2151.6-174.858.70000112.7L24 V121 G122 H123 K124 C125 V150 I158 N159 A163L24-T152 HydrophobicContact CD1-CG2 4.48Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.23Å; G122-T152 PolarHBondContact O-N 2.93Å; H123-T152 CarbonylContact C-O 3.42Å; H123-T152 WeakPolarHBondContact CA-O 3.3Å; H123-T152 PolarHBondContact ND1-O 3.28Å; H123-T152 PolarHBondContact ND1-OG1 3Å; K124-T152 PolarHBondContact N-O 3.07Å; C125-T152 PolarHBondContact N-O 2.76Å; C125-T152 PolarHBondContact SG-O 3.35Å; V150-T152 HydrophobicContact CG1-CG2 4.19Å; V150-T152 HydrophobicContact CG2-CG2 4.42Å; T152-I158 VanDerWaalsContact CA-O 3.29Å; T152-I158 WeakPolarHBondContact CA-O 3.43Å; T152-N159 HydrophobicContact CG2-CB 4Å; T152-A163 HydrophobicContact CG2-CB 4.01Å
153S98.6Very high98Very high0 Ų047.7 Ų47.70%027%0.274CS..BIsolated β-bridgetrans-128.4118.4167.9176.40000110.1D126 R155 D156 A157 I158 V160D126-S153 VanDerWaalsContact CB-OG 3.31Å; D126-S153 WeakPolarHBondContact CB-OG 3.49Å; D126-S153 WeakPolarHBondContact OD1-CB 3.28Å; D126-S153 PolarHBondContact OD1-OG 3.05Å; S153-R155 VanDerWaalsContact C-N 3.3Å; S153-R155 PolarHBondContact OG-N 2.91Å; S153-D156 PolarHBondContact OG-N 3.07Å; S153-A157 CarbonylContact O-C 3.49Å; S153-A157 WeakPolarHBondContact O-CA 3.09Å; S153-A157 PolarHBondContact O-N 3.11Å; S153-I158 PolarHBondContact N-O 2.96Å; S153-I158 PolarHBondContact O-N 2.84Å; S153-V160 WeakPolarHBondContact O-CG2 3.37Å
154A97.8Very high98Very high0 Ų045.1 Ų45.10%025%0.247CC..THydrogen-bonded Turntrans-71.1-30.9169.100000111.2C23 R27 F33 H123C23-A154 HydrophobicContact CB-CB 3.87Å; R27-A154 HydrophobicContact CB-CB 4.16Å; R27-A154 PolarHBondContact NE-O 3.23Å; R27-A154 PolarHBondContact NH2-O 2.75Å; F33-A154 HydrophobicContact CD2-CB 3.99Å; F33-A154 HydrophobicContact CE2-CB 4.29Å; H123-A154 PolarHBondContact CE1-N 2.79Å
155R97.2Very high98Very high97 Ų9741.8 Ų41.837%0.36622%0.218SC..THydrogen-bonded Turntrans-64.5-55.7179.7-170-174.677-162.411.2110.7R27 F33 D126 S153R27-R155 PolarHBondContact NH2-O 3.45Å; F33-R155 HydrophobicContact CD1-CG 4.33Å; F33-R155 HydrophobicContact CD2-CB 4.45Å; F33-R155 HydrophobicContact CE1-CB 4.27Å; F33-R155 HydrophobicContact CE1-CG 3.95Å; F33-R155 HydrophobicContact CE2-CB 4.12Å; F33-R155 HydrophobicContact CZ-CB 4.02Å; F33-R155 HydrophobicContact CZ-CG 4.14Å; D126-R155 PolarHBondContact O-NH2 2.84Å; D126-R155 VanDerWaalsContact O-NH2 3.08Å; D126-R155 IonicContact OD2-CZ 3.67Å; D126-R155 IonicContact OD2-NE 2.81Å; D126-R155 PolarHBondContact OD2-NE 2.91Å; D126-R155 IonicContact OD2-NH1 3.89Å; D126-R155 PolarHBondContact OD2-NH1 2.81Å; D126-R155 IonicContact OD2-NH2 2.68Å; S153-R155 VanDerWaalsContact C-N 3.3Å; S153-R155 PolarHBondContact OG-N 2.91Å
156D97.7Very high98.1Very high80 Ų8040.3 Ų40.343%0.42821%0.214SC..THydrogen-bonded Turntrans-97.26.7-171.9-60.5-5000112D126 S153 I158D126-D156 HydrophobicContact CB-CB 4.41Å; D126-D156 VanDerWaalsContact CB-OD2 3.24Å; D126-D156 WeakPolarHBondContact CB-OD2 3.4Å; S153-D156 PolarHBondContact OG-N 3.07Å; D156-I158 HydrophobicContact CB-CD1 3.93Å; D156-I158 HydrophobicContact CB-CG1 3.95Å; D156-I158 PolarHBondContact O-N 2.71Å
157A97.9Very high98.2Very high55 Ų5537 Ų3746%0.45518%0.181SC..THydrogen-bonded Turntrans57.324.8-178.500000114.8S153 N159S153-A157 CarbonylContact O-C 3.49Å; S153-A157 WeakPolarHBondContact O-CA 3.09Å; S153-A157 PolarHBondContact O-N 3.11Å; A157-N159 PolarHBondContact O-N 3.2Å
158I98.7Very high98.3Very high70 Ų7036.2 Ų36.236%0.35918%0.177SC..BIsolated β-bridgetrans-73.2124.4-179.9-58.2170.6000109.6T152 S153 D156 V160T152-I158 VanDerWaalsContact CA-O 3.29Å; T152-I158 WeakPolarHBondContact CA-O 3.43Å; S153-I158 PolarHBondContact N-O 2.96Å; S153-I158 PolarHBondContact O-N 2.84Å; D156-I158 HydrophobicContact CB-CD1 3.93Å; D156-I158 HydrophobicContact CB-CG1 3.95Å; D156-I158 PolarHBondContact O-N 2.71Å; I158-V160 PolarHBondContact O-N 3.36Å
159N98.6Very high98.3Very high66 Ų6636.6 Ų36.635%0.35318%0.178SC..THydrogen-bonded Turntrans54.612.8175.3-67-34.4000116.3V150 E151 T152 A157 K162 A163V150-N159 HydrophobicContact CG2-CB 3.91Å; E151-N159 WeakPolarHBondContact O-CB 3.5Å; E151-N159 PolarHBondContact O-ND2 3Å; T152-N159 HydrophobicContact CG2-CB 4Å; A157-N159 PolarHBondContact O-N 3.2Å; N159-K162 HydrophobicContact CB-CB 4.28Å; N159-K162 HydrophobicContact CB-CD 4.47Å; N159-K162 PolarHBondContact O-N 3.36Å; N159-K162 WeakPolarHBondContact OD1-CD 3.46Å; N159-A163 WeakPolarHBondContact O-CB 3.43Å; N159-A163 PolarHBondContact O-N 3.19Å
160V98.6Very high98.2Very high6 Ų637.4 Ų37.44%0.03618%0.183CC..Hα-helixtrans-62.1-55-178.9176.60000110.4L24 R27 F28 S153 I158 K162 A163 F164L24-V160 HydrophobicContact CD1-CB 4.19Å; L24-V160 HydrophobicContact CD1-CG1 3.84Å; L24-V160 HydrophobicContact CD1-CG2 3.79Å; R27-V160 HydrophobicContact CB-CG1 4.29Å; R27-V160 HydrophobicContact CG-CB 4.34Å; R27-V160 HydrophobicContact CG-CG1 4.01Å; R27-V160 HydrophobicContact CG-CG2 3.99Å; F28-V160 HydrophobicContact CB-CG1 3.72Å; S153-V160 WeakPolarHBondContact O-CG2 3.37Å; I158-V160 PolarHBondContact O-N 3.36Å; V160-K162 VanDerWaalsContact C-N 3.3Å; V160-K162 PolarHBondContact O-N 2.88Å; V160-A163 PolarHBondContact O-N 3.03Å; V160-F164 WeakPolarHBondContact O-CD2 3.41Å
161E97.9Very high98.2Very high82 Ų8236.9 Ų36.938%0.38318%0.18SC..Hα-helixtrans-58.4-45.1176.2-165.473.5-174.500111.1F28 R48 A163 F164 V165F28-E161 WeakPolarHBondContact CE2-OE2 3.28Å; R48-E161 IonicContact CZ-OE1 2.69Å; R48-E161 IonicContact CZ-OE2 3.19Å; R48-E161 IonicContact NH1-OE1 3.97Å; R48-E161 IonicContact NH1-OE2 2.84Å; R48-E161 PolarHBondContact NH1-OE2 2.76Å; R48-E161 VanDerWaalsContact NH2-CD 3.34Å; R48-E161 IonicContact NH2-OE1 3.49Å; R48-E161 PolarHBondContact NH2-OE1 2.92Å; R48-E161 IonicContact NH2-OE2 2.69Å; R48-E161 PolarHBondContact NH2-OE2 2.87Å; R48-E161 VanDerWaalsContact NH2-OE2 3.16Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 2.79Å; E161-F164 PolarHBondContact O-N 2.96Å; E161-V165 HydrophobicContact CG-CG2 4.07Å; E161-V165 WeakPolarHBondContact O-CB 3.32Å; E161-V165 VanDerWaalsContact O-CG2 3.32Å; E161-V165 WeakPolarHBondContact O-CG2 3.34Å; E161-V165 PolarHBondContact O-N 2.66Å
162K97.9Very high98.1Very high98 Ų9836.2 Ų36.243%0.42618%0.176SC..Hα-helixtrans-56.2-45.7-178.5-175.4-175.6-175.8-57.60111.7N159 V160 F164 V165 D166N159-K162 HydrophobicContact CB-CB 4.28Å; N159-K162 HydrophobicContact CB-CD 4.47Å; N159-K162 PolarHBondContact O-N 3.36Å; N159-K162 WeakPolarHBondContact OD1-CD 3.46Å; V160-K162 VanDerWaalsContact C-N 3.3Å; V160-K162 PolarHBondContact O-N 2.88Å; K162-F164 PolarHBondContact O-N 3.42Å; K162-V165 PolarHBondContact O-N 3.38Å; K162-D166 VanDerWaalsContact CG-OD2 3.32Å; K162-D166 WeakPolarHBondContact CG-OD2 3.45Å; K162-D166 IonicContact NZ-OD2 3.46Å; K162-D166 PolarHBondContact NZ-OD2 3.43Å; K162-D166 WeakPolarHBondContact O-CB 3.3Å; K162-D166 PolarHBondContact O-N 3.36Å
163A98.6Very high98Very high0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-59.4-48-178.700000112.3L86 L119 V150 T152 N159 V160 E161 L167L86-A163 HydrophobicContact CD2-CB 4.28Å; L119-A163 HydrophobicContact CD2-CB 3.95Å; L119-A163 VanDerWaalsContact CD2-O 3.25Å; L119-A163 WeakPolarHBondContact CD2-O 3.49Å; V150-A163 HydrophobicContact CG1-CB 3.88Å; T152-A163 HydrophobicContact CG2-CB 4.01Å; N159-A163 WeakPolarHBondContact O-CB 3.43Å; N159-A163 PolarHBondContact O-N 3.19Å; V160-A163 PolarHBondContact O-N 3.03Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 2.79Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 PolarHBondContact O-N 3.14Å
164F98.6Very high97.9Very high0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-71.2-43.1179.7-71.9-84.9000112.2L11 L24 I25 F28 L60 I62 L86 V160 E161 K162 T168L11-F164 HydrophobicContact CD1-CD1 4.18Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CD2-CZ 4.49Å; L24-F164 HydrophobicContact CG-CE2 4Å; L24-F164 HydrophobicContact CG-CZ 4.37Å; I25-F164 HydrophobicContact CG1-CZ 4.29Å; F28-F164 HydrophobicContact CB-CD2 3.8Å; F28-F164 HydrophobicContact CB-CE2 3.55Å; F28-F164 HydrophobicContact CB-CZ 4.25Å; F28-F164 HydrophobicContact CD1-CD1 4.08Å; F28-F164 AromaticContact CD1-CD2 3.82Å; F28-F164 HydrophobicContact CD1-CD2 3.82Å; F28-F164 HydrophobicContact CD1-CE1 4.23Å; F28-F164 AromaticContact CD1-CE2 3.99Å; F28-F164 HydrophobicContact CD1-CE2 3.99Å; F28-F164 AromaticContact CD1-CG 3.88Å; F28-F164 HydrophobicContact CD1-CG 3.88Å; F28-F164 HydrophobicContact CD1-CZ 4.19Å; F28-F164 HydrophobicContact CD2-CB 4.04Å; F28-F164 AromaticContact CD2-CD2 3.49Å; F28-F164 HydrophobicContact CD2-CD2 3.49Å; F28-F164 VanDerWaalsContact CD2-CD2 3.49Å; F28-F164 HydrophobicContact CD2-CE2 4.16Å; F28-F164 AromaticContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CE1-CB 4.12Å; F28-F164 HydrophobicContact CE1-CD1 4.05Å; F28-F164 HydrophobicContact CE1-CD2 4.27Å; F28-F164 AromaticContact CE1-CG 3.89Å; F28-F164 HydrophobicContact CE1-CG 3.89Å; F28-F164 HydrophobicContact CE2-CB 3.58Å; F28-F164 AromaticContact CE2-CD2 3.97Å; F28-F164 HydrophobicContact CE2-CD2 3.97Å; F28-F164 AromaticContact CE2-CG 3.91Å; F28-F164 HydrophobicContact CE2-CG 3.91Å; F28-F164 HydrophobicContact CG-CB 4.48Å; F28-F164 HydrophobicContact CG-CD1 4.49Å; F28-F164 AromaticContact CG-CD2 3.4Å; F28-F164 HydrophobicContact CG-CD2 3.4Å; F28-F164 VanDerWaalsContact CG-CD2 3.4Å; F28-F164 AromaticContact CG-CE2 3.64Å; F28-F164 HydrophobicContact CG-CE2 3.64Å; F28-F164 AromaticContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CZ 4.28Å; F28-F164 HydrophobicContact CZ-CB 3.63Å; F28-F164 HydrophobicContact CZ-CD1 4.42Å; F28-F164 HydrophobicContact CZ-CD2 4.32Å; F28-F164 AromaticContact CZ-CG 3.89Å; F28-F164 HydrophobicContact CZ-CG 3.89Å; L60-F164 HydrophobicContact CD1-CB 4.43Å; I62-F164 HydrophobicContact CD1-CD1 4.13Å; I62-F164 HydrophobicContact CD1-CE1 3.88Å; I62-F164 HydrophobicContact CG2-CE1 4.32Å; L86-F164 HydrophobicContact CD1-CD1 3.94Å; L86-F164 HydrophobicContact CD1-CE1 3.59Å; L86-F164 HydrophobicContact CD1-CZ 4.29Å; L86-F164 HydrophobicContact CD2-CD1 4.26Å; L86-F164 HydrophobicContact CD2-CE1 3.98Å; L86-F164 HydrophobicContact CD2-CE2 4.26Å; L86-F164 HydrophobicContact CD2-CZ 3.98Å; L86-F164 HydrophobicContact CG-CE1 4.49Å; V160-F164 WeakPolarHBondContact O-CD2 3.41Å; E161-F164 PolarHBondContact O-N 2.96Å; K162-F164 PolarHBondContact O-N 3.42Å; F164-T168 WeakPolarHBondContact O-CB 3.46Å; F164-T168 PolarHBondContact O-N 3.48Å; F164-T168 PolarHBondContact O-OG1 3.47Å
165V98Very high97.7Very high13 Ų1342.5 Ų42.58%0.07921%0.208CC..Hα-helixtrans-66.7-41.9-179.1173.50000111.1E161 K162 T168 R169E161-V165 HydrophobicContact CG-CG2 4.07Å; E161-V165 WeakPolarHBondContact O-CB 3.32Å; E161-V165 VanDerWaalsContact O-CG2 3.32Å; E161-V165 WeakPolarHBondContact O-CG2 3.34Å; E161-V165 PolarHBondContact O-N 2.66Å; K162-V165 PolarHBondContact O-N 3.38Å; V165-T168 WeakPolarHBondContact O-CB 3.22Å; V165-T168 PolarHBondContact O-N 2.9Å; V165-R169 WeakPolarHBondContact O-CG 3.27Å; V165-R169 PolarHBondContact O-N 3.34Å
166D97.5Very high97.6Very high23 Ų2345.7 Ų45.712%0.12322%0.22CC..Hα-helixtrans-65.1-44.1179-76.5-10.5000111.7R148 K162 T168 R169 E170R148-D166 PolarHBondContact NH2-O 3.02Å; K162-D166 VanDerWaalsContact CG-OD2 3.32Å; K162-D166 WeakPolarHBondContact CG-OD2 3.45Å; K162-D166 IonicContact NZ-OD2 3.46Å; K162-D166 PolarHBondContact NZ-OD2 3.43Å; K162-D166 WeakPolarHBondContact O-CB 3.3Å; K162-D166 PolarHBondContact O-N 3.36Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 2.92Å; D166-R169 PolarHBondContact O-N 3.18Å; D166-R169 IonicContact OD1-NH1 2.68Å; D166-R169 PolarHBondContact OD1-NH1 3.09Å; D166-R169 VanDerWaalsContact OD1-NH1 3.14Å; D166-E170 PolarHBondContact O-N 2.76Å; D166-E170 VanDerWaalsContact O-N 3.08Å
167L98.6Very high97.5Very high0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-61.2-41.7173.9177.159.8000111.1L11 L86 V117 L119 A163 R169 E170 I171L11-L167 HydrophobicContact CD1-CD2 4.42Å; L11-L167 HydrophobicContact CD2-CD2 4.22Å; L86-L167 HydrophobicContact CD1-CD2 3.79Å; L86-L167 HydrophobicContact CG-CD2 4.03Å; V117-L167 HydrophobicContact CB-CD1 4.27Å; V117-L167 HydrophobicContact CG1-CD1 3.84Å; V117-L167 WeakPolarHBondContact O-CD1 3.23Å; L119-L167 HydrophobicContact CB-CD1 4.39Å; L119-L167 HydrophobicContact CD2-CB 4.38Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 PolarHBondContact O-N 3.14Å; L167-R169 PolarHBondContact O-N 2.8Å; L167-E170 PolarHBondContact O-N 3Å; L167-I171 HydrophobicContact CD1-CD1 3.9Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.87Å; L167-I171 WeakPolarHBondContact O-CG1 3.28Å; L167-I171 PolarHBondContact O-N 3.03Å
168T98.4Very high97.3Very high0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-61.7-43.4177.8-56.10000111.7F9 V50 I52 I58 L60 F164 V165 D166 I171 F172F9-T168 HydrophobicContact CD2-CG2 3.96Å; F9-T168 HydrophobicContact CE2-CG2 3.94Å; V50-T168 HydrophobicContact CG2-CG2 3.88Å; I52-T168 HydrophobicContact CG2-CG2 3.64Å; I58-T168 HydrophobicContact CB-CG2 3.86Å; I58-T168 HydrophobicContact CG1-CG2 3.98Å; I58-T168 HydrophobicContact CG2-CG2 3.8Å; L60-T168 HydrophobicContact CD2-CG2 3.98Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.37Å; F164-T168 WeakPolarHBondContact O-CB 3.46Å; F164-T168 PolarHBondContact O-N 3.48Å; F164-T168 PolarHBondContact O-OG1 3.47Å; V165-T168 WeakPolarHBondContact O-CB 3.22Å; V165-T168 PolarHBondContact O-N 2.9Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 2.92Å; T168-I171 PolarHBondContact O-N 3.36Å; T168-F172 VanDerWaalsContact O-CB 3.28Å; T168-F172 WeakPolarHBondContact O-CB 3Å; T168-F172 PolarHBondContact O-N 3.33Å
169R97.8Very high97.1Very high105 Ų10546.7 Ų46.740%0.39623%0.232SC..Hα-helixtrans-61.9-43.6176.3-76.5-177-167.5125.6-1.3112I52 V165 D166 L167 F172 E173I52-R169 HydrophobicContact CB-CG 3.86Å; I52-R169 HydrophobicContact CG2-CG 3.95Å; I52-R169 PolarHBondContact O-NE 2.85Å; I52-R169 PolarHBondContact O-NH2 3.36Å; V165-R169 WeakPolarHBondContact O-CG 3.27Å; V165-R169 PolarHBondContact O-N 3.34Å; D166-R169 PolarHBondContact O-N 3.18Å; D166-R169 IonicContact OD1-NH1 2.68Å; D166-R169 PolarHBondContact OD1-NH1 3.09Å; D166-R169 VanDerWaalsContact OD1-NH1 3.14Å; L167-R169 PolarHBondContact O-N 2.8Å; R169-F172 WeakPolarHBondContact O-CB 3.5Å; R169-F172 PolarHBondContact O-N 2.79Å; R169-E173 WeakPolarHBondContact O-CG 3.23Å; R169-E173 PolarHBondContact O-N 2.85Å
170E97.4Very high96.9Very high53 Ų5344.2 Ų44.225%0.24822%0.218CC..Hα-helixtrans-61.4-46.5179-176.4174.6174.900111.8V117 R148 D166 L167 F172 E173 L174V117-E170 HydrophobicContact CG1-CG 3.91Å; R148-E170 IonicContact CZ-OE2 2.86Å; R148-E170 IonicContact NE-OE2 2.82Å; R148-E170 PolarHBondContact NE-OE2 2.81Å; R148-E170 IonicContact NH2-OE2 3.11Å; R148-E170 PolarHBondContact NH2-OE2 3.16Å; D166-E170 PolarHBondContact O-N 2.76Å; D166-E170 VanDerWaalsContact O-N 3.08Å; L167-E170 PolarHBondContact O-N 3Å; E170-F172 VanDerWaalsContact C-N 3.34Å; E170-F172 PolarHBondContact O-N 3.42Å; E170-E173 PolarHBondContact O-N 2.8Å; E170-L174 WeakPolarHBondContact O-CG 3.43Å; E170-L174 PolarHBondContact O-N 3.44Å; E170-L174 VanDerWaalsContact O-N 3.11Å
171I97.9Very high96.6Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-63.5-42.1175.5-63.7161.3000110.8F9 L11 V83 V117 L167 T168 E173 L174 V175F9-I171 HydrophobicContact CD1-CG2 4.2Å; F9-I171 HydrophobicContact CD2-CB 4.16Å; F9-I171 HydrophobicContact CD2-CG2 3.81Å; F9-I171 HydrophobicContact CE1-CG2 4.04Å; F9-I171 HydrophobicContact CE2-CB 3.92Å; F9-I171 HydrophobicContact CE2-CG2 3.64Å; F9-I171 HydrophobicContact CG-CG2 4.11Å; F9-I171 HydrophobicContact CZ-CB 4.45Å; F9-I171 HydrophobicContact CZ-CG2 3.78Å; L11-I171 HydrophobicContact CD2-CD1 3.81Å; V83-I171 HydrophobicContact CG1-CD1 4.3Å; V83-I171 HydrophobicContact CG1-CG2 4.07Å; V83-I171 HydrophobicContact CG2-CG2 3.63Å; V117-I171 HydrophobicContact CB-CD1 4.49Å; V117-I171 HydrophobicContact CB-CG1 3.89Å; V117-I171 HydrophobicContact CG1-CG1 4.22Å; V117-I171 HydrophobicContact CG2-CG1 3.99Å; L167-I171 HydrophobicContact CD1-CD1 3.9Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.87Å; L167-I171 WeakPolarHBondContact O-CG1 3.28Å; L167-I171 PolarHBondContact O-N 3.03Å; T168-I171 PolarHBondContact O-N 3.36Å; I171-E173 VanDerWaalsContact C-N 3.33Å; I171-E173 PolarHBondContact O-N 2.88Å; I171-L174 PolarHBondContact O-N 2.86Å; I171-V175 HydrophobicContact CG2-CG2 4.38Å; I171-V175 WeakPolarHBondContact O-CG2 3.49Å; I171-V175 PolarHBondContact O-N 2.97Å
172F97Very high96.3Very high12 Ų1250.1 Ų50.15%0.05325%0.247CC..Hα-helixtrans-59.7-43.1177.4174.5-96.8000112.2L6 Y7 F9 I52 K56 I58 T168 R169 E170 V175 R176L6-F172 HydrophobicContact CD1-CE2 4.23Å; Y7-F172 AromaticContact CD2-CD2 3.99Å; Y7-F172 HydrophobicContact CD2-CD2 3.99Å; Y7-F172 HydrophobicContact CD2-CE2 4.08Å; Y7-F172 HydrophobicContact CE2-CD2 4.08Å; Y7-F172 AromaticContact CE2-CE2 3.85Å; Y7-F172 HydrophobicContact CE2-CE2 3.85Å; F9-F172 HydrophobicContact CE2-CB 4.25Å; F9-F172 HydrophobicContact CZ-CB 4.25Å; I52-F172 HydrophobicContact CD1-CB 3.79Å; I52-F172 HydrophobicContact CD1-CD1 3.59Å; I52-F172 HydrophobicContact CD1-CD2 3.75Å; I52-F172 HydrophobicContact CD1-CE1 4.07Å; I52-F172 HydrophobicContact CD1-CE2 4.21Å; I52-F172 HydrophobicContact CD1-CG 3.4Å; I52-F172 VanDerWaalsContact CD1-CG 3.4Å; I52-F172 HydrophobicContact CD1-CZ 4.36Å; K56-F172 HydrophobicContact CD-CE1 4.46Å; K56-F172 HydrophobicContact CD-CZ 4.05Å; I58-F172 HydrophobicContact CD1-CD2 3.96Å; I58-F172 HydrophobicContact CD1-CE2 4.45Å; T168-F172 VanDerWaalsContact O-CB 3.28Å; T168-F172 WeakPolarHBondContact O-CB 3Å; T168-F172 PolarHBondContact O-N 3.33Å; R169-F172 WeakPolarHBondContact O-CB 3.5Å; R169-F172 PolarHBondContact O-N 2.79Å; E170-F172 VanDerWaalsContact C-N 3.34Å; E170-F172 PolarHBondContact O-N 3.42Å; F172-V175 PolarHBondContact O-N 2.84Å; F172-R176 WeakPolarHBondContact O-CB 3.21Å; F172-R176 PolarHBondContact O-N 2.93Å
173E96.6Very high95.9Very high69 Ų6949.8 Ų49.832%0.32225%0.247SC..Hα-helixtrans-64.7-39.4176.9-72.4-55.5128.300112.2R169 E170 I171 V175 R176 S177R169-E173 WeakPolarHBondContact O-CG 3.23Å; R169-E173 PolarHBondContact O-N 2.85Å; E170-E173 PolarHBondContact O-N 2.8Å; I171-E173 VanDerWaalsContact C-N 3.33Å; I171-E173 PolarHBondContact O-N 2.88Å; E173-V175 VanDerWaalsContact C-N 3.34Å; E173-R176 WeakPolarHBondContact O-CB 3.4Å; E173-R176 PolarHBondContact O-N 3.05Å; E173-R176 IonicContact OE1-NE 2.71Å; E173-R176 PolarHBondContact OE1-NE 3.47Å; E173-R176 IonicContact OE2-CZ 2.66Å; E173-R176 IonicContact OE2-NE 3.33Å; E173-R176 PolarHBondContact OE2-NE 2.94Å; E173-R176 IonicContact OE2-NH2 2.88Å; E173-R176 PolarHBondContact OE2-NH2 3.44Å; E173-S177 PolarHBondContact O-N 2.92Å; E173-S177 PolarHBondContact O-OG 3.44Å
174L96.6Very high95.3Very high47 Ų4758 Ų5825%0.24629%0.291CS..Hα-helixtrans-66.7-34.6174.6-68.1168.3000112.6V117 E170 I171 S177 G178 D179 I180V117-L174 HydrophobicContact CG2-CD1 3.56Å; E170-L174 WeakPolarHBondContact O-CG 3.43Å; E170-L174 PolarHBondContact O-N 3.44Å; E170-L174 VanDerWaalsContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 2.86Å; L174-S177 WeakPolarHBondContact CA-OG 3.34Å; L174-S177 PolarHBondContact O-OG 3.23Å; L174-S177 VanDerWaalsContact O-OG 3.08Å; L174-G178 PolarHBondContact O-N 3.15Å; L174-D179 HydrophobicContact CB-CB 4.35Å; L174-D179 HydrophobicContact CD2-CB 3.82Å; L174-D179 PolarHBondContact O-N 3.25Å; L174-I180 HydrophobicContact CB-CB 4.32Å; L174-I180 HydrophobicContact CB-CD1 3.76Å; L174-I180 HydrophobicContact CB-CG1 3.92Å; L174-I180 HydrophobicContact CD1-CD1 3.83Å; L174-I180 HydrophobicContact CG-CD1 4.45Å; L174-I180 PolarHBondContact O-N 3.04Å
175V95.3Very high94.7Very high16 Ų1661.6 Ų61.610%0.09733%0.328CS..Hα-helixtrans-68.1-39.3172.1172.50000110.7Y7 F9 I171 F172 E173 G178 I180 V189Y7-V175 HydrophobicContact CD1-CG1 4.37Å; Y7-V175 HydrophobicContact CE1-CG1 3.81Å; Y7-V175 HydrophobicContact CE2-CG1 4.08Å; F9-V175 HydrophobicContact CE1-CG2 4.26Å; F9-V175 HydrophobicContact CZ-CG2 4.43Å; I171-V175 HydrophobicContact CG2-CG2 4.38Å; I171-V175 WeakPolarHBondContact O-CG2 3.49Å; I171-V175 PolarHBondContact O-N 2.97Å; F172-V175 PolarHBondContact O-N 2.84Å; E173-V175 VanDerWaalsContact C-N 3.34Å; V175-G178 PolarHBondContact O-N 3.27Å; V175-I180 WeakPolarHBondContact CA-O 3.19Å; V175-I180 HydrophobicContact CG2-CB 4Å; V175-I180 HydrophobicContact CG2-CG2 3.89Å; V175-V189 HydrophobicContact CG2-CG1 4.22Å; V175-V189 HydrophobicContact CG2-CG2 4.15Å
176R93.9Very high94.5Very high165 Ų16561.7 Ų61.762%0.62333%0.327SS*.Hα-helixtrans-69.3-37.7179.4-170.6-178.272.787.21112.7F172 E173 G178F172-R176 WeakPolarHBondContact O-CB 3.21Å; F172-R176 PolarHBondContact O-N 2.93Å; E173-R176 WeakPolarHBondContact O-CB 3.4Å; E173-R176 PolarHBondContact O-N 3.05Å; E173-R176 IonicContact OE1-NE 2.71Å; E173-R176 PolarHBondContact OE1-NE 3.47Å; E173-R176 IonicContact OE2-CZ 2.66Å; E173-R176 IonicContact OE2-NE 3.33Å; E173-R176 PolarHBondContact OE2-NE 2.94Å; E173-R176 IonicContact OE2-NH2 2.88Å; E173-R176 PolarHBondContact OE2-NH2 3.44Å; R176-G178 VanDerWaalsContact C-N 3.29Å
177S96Very high94.3Very high71 Ų7163 Ų6350%0.49733%0.332SS..Hα-helixtrans-75.4-18.9175.862.20000112.9E173 L174 D179E173-S177 PolarHBondContact O-N 2.92Å; E173-S177 PolarHBondContact O-OG 3.44Å; L174-S177 WeakPolarHBondContact CA-OG 3.34Å; L174-S177 PolarHBondContact O-OG 3.23Å; L174-S177 VanDerWaalsContact O-OG 3.08Å; S177-D179 WeakPolarHBondContact CB-OD2 3.23Å; S177-D179 VanDerWaalsContact OG-CG 3.28Å; S177-D179 PolarHBondContact OG-N 2.98Å; S177-D179 PolarHBondContact OG-OD2 3.17Å
178G93.9Very high94Very high31 Ų3163 Ų6332%0.3233%0.332SS..THydrogen-bonded Turntrans88.86-176.600000114.2L174 V175 R176 I180 Q181L174-G178 PolarHBondContact O-N 3.15Å; V175-G178 PolarHBondContact O-N 3.27Å; R176-G178 VanDerWaalsContact C-N 3.29Å; G178-I180 VanDerWaalsContact C-N 3.28Å; G178-Q181 WeakPolarHBondContact O-CG 3.22Å
179D94Very high93.9Very high124 Ų12463 Ų6366%0.66333%0.333SS*.SBendtrans-68.9-28.6174.2-64.1-46.6000111.9L174 S177L174-D179 HydrophobicContact CB-CB 4.35Å; L174-D179 HydrophobicContact CD2-CB 3.82Å; L174-D179 PolarHBondContact O-N 3.25Å; S177-D179 WeakPolarHBondContact CB-OD2 3.23Å; S177-D179 VanDerWaalsContact OG-CG 3.28Å; S177-D179 PolarHBondContact OG-N 2.98Å; S177-D179 PolarHBondContact OG-OD2 3.17Å
180I94.5Very high93.8Very high14 Ų1461.6 Ų61.67%0.07233%0.329CS..SBendtrans-117.3119.6167.8-65.1175000108.6V83 V117 L174 V175 G178 W186 V189V83-I180 HydrophobicContact CG2-CD1 3.85Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V117-I180 HydrophobicContact CG2-CD1 3.82Å; L174-I180 HydrophobicContact CB-CB 4.32Å; L174-I180 HydrophobicContact CB-CD1 3.76Å; L174-I180 HydrophobicContact CB-CG1 3.92Å; L174-I180 HydrophobicContact CD1-CD1 3.83Å; L174-I180 HydrophobicContact CG-CD1 4.45Å; L174-I180 PolarHBondContact O-N 3.04Å; V175-I180 WeakPolarHBondContact CA-O 3.19Å; V175-I180 HydrophobicContact CG2-CB 4Å; V175-I180 HydrophobicContact CG2-CG2 3.89Å; G178-I180 VanDerWaalsContact C-N 3.28Å; I180-W186 HydrophobicContact CG2-CH2 3.95Å; I180-W186 HydrophobicContact CG2-CZ3 3.97Å; I180-V189 HydrophobicContact CG2-CG2 3.86Å
181Q91.4Very high93.5Very high127 Ų12763 Ų6359%0.59335%0.345SS*.  trans-110.1149.5-179.8-61.3-175-27.700111G178 Q183 W186G178-Q181 WeakPolarHBondContact O-CG 3.22Å; Q181-Q183 PolarHBondContact O-N 3.27Å; Q181-W186 WeakPolarHBondContact O-CZ3 3.47Å
182I91.8Very high92.7Very high85 Ų8563.8 Ų63.844%0.43635%0.353SS..  trans-68.3130.5167.7-62.1172.3000107.4Y7 V189Y7-I182 HydrophobicContact CD1-CD1 4.37Å; Y7-I182 HydrophobicContact CE1-CD1 4.12Å; I182-V189 HydrophobicContact CD1-CG1 4.39Å; I182-V189 HydrophobicContact CG1-CB 4.28Å; I182-V189 HydrophobicContact CG1-CG1 3.82Å
183Q89.3Confident91.5Very high90 Ų9068 Ų6842%0.42137%0.372SS..  trans-127143.2-179.9-59.2-173.825.900110.3H114 Q181 G185 W186H114-Q183 VanDerWaalsContact NE2-CD 3.31Å; H114-Q183 PolarHBondContact NE2-OE1 2.98Å; H114-Q183 VanDerWaalsContact NE2-OE1 3.08Å; Q181-Q183 PolarHBondContact O-N 3.27Å; Q183-G185 PolarHBondContact O-N 2.98Å; Q183-W186 HydrophobicContact CB-CB 4.07Å; Q183-W186 PolarHBondContact O-N 3.36Å; Q183-W186 VanDerWaalsContact O-N 3.16Å
184D87Confident89.9Confident173 Ų17367 Ų6793%0.92537%0.37SS*.THydrogen-bonded Turntrans-62.6130.1176.9-73-28.1000111.1W186D184-W186 PolarHBondContact O-N 3.2Å
185G86.6Confident87.6Confident76 Ų7667.1 Ų67.178%0.78437%0.374SS*.THydrogen-bonded Turntrans76-1.5-178.400000115.2Q183Q183-G185 PolarHBondContact O-N 2.98Å
186W92.6Very high85.4Confident15 Ų1573.1 Ų73.16%0.05741%0.405CS..  trans-98.5129.2169.6-175.754.5000111R80 V83 H114 I180 Q181 Q183 D184 V189R80-W186 PolarHBondContact O-NE1 3.46Å; V83-W186 HydrophobicContact CB-CH2 3.96Å; V83-W186 HydrophobicContact CB-CZ2 4.09Å; V83-W186 HydrophobicContact CG2-CH2 3.86Å; V83-W186 HydrophobicContact CG2-CZ2 4.41Å; H114-W186 HydrophobicContact CB-CZ2 4.03Å; H114-W186 AromaticContact CD2-CD1 3.9Å; H114-W186 AromaticContact CD2-CD2 3.27Å; H114-W186 AromaticContact CD2-CE2 3.33Å; H114-W186 AromaticContact CD2-CE3 3.62Å; H114-W186 AromaticContact CD2-CG 3.65Å; H114-W186 AromaticContact CD2-CZ2 3.74Å; H114-W186 AromaticContact CD2-CZ3 3.99Å; H114-W186 AromaticContact CD2-NE1 3.72Å; H114-W186 AromaticContact CE1-CD1 3.79Å; H114-W186 AromaticContact CE1-CG 3.77Å; H114-W186 AromaticContact CG-CE2 3.69Å; H114-W186 AromaticContact CG-NE1 3.71Å; H114-W186 AromaticContact ND1-CD1 3.97Å; H114-W186 AromaticContact NE2-CD1 3.72Å; H114-W186 AromaticContact NE2-CD2 3.42Å; H114-W186 AromaticContact NE2-CE2 3.9Å; H114-W186 AromaticContact NE2-CE3 3.86Å; H114-W186 AromaticContact NE2-CG 3.3Å; H114-W186 VanDerWaalsContact NE2-CG 3.3Å; I180-W186 HydrophobicContact CG2-CH2 3.95Å; I180-W186 HydrophobicContact CG2-CZ3 3.97Å; Q181-W186 WeakPolarHBondContact O-CZ3 3.47Å; Q183-W186 HydrophobicContact CB-CB 4.07Å; Q183-W186 PolarHBondContact O-N 3.36Å; Q183-W186 VanDerWaalsContact O-N 3.16Å; D184-W186 PolarHBondContact O-N 3.2Å; W186-V189 HydrophobicContact CH2-CG2 4.16Å; W186-V189 HydrophobicContact CZ3-CB 4.32Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å
187E93Very high83.1Confident49 Ų4972.6 Ų72.623%0.22941%0.412CS..  trans-100.21.8-172.2-61.9-80.8124.700113.8R10 N81 V189 K190R10-E187 VanDerWaalsContact CD-O 3.23Å; R10-E187 WeakPolarHBondContact CD-O 3.41Å; R10-E187 WeakPolarHBondContact CG-O 3.22Å; R10-E187 IonicContact CZ-OE2 3.32Å; R10-E187 IonicContact NH1-OE2 3.67Å; R10-E187 IonicContact NH2-OE2 2.69Å; R10-E187 PolarHBondContact NH2-OE2 2.73Å; N81-E187 HydrophobicContact CB-CB 4.05Å; N81-E187 PolarHBondContact OD1-N 3.49Å; E187-V189 PolarHBondContact O-N 3.08Å; E187-K190 WeakPolarHBondContact OE1-CE 3.27Å; E187-K190 IonicContact OE1-NZ 3.81Å; E187-K190 PolarHBondContact OE1-NZ 3.49Å; E187-K190 WeakPolarHBondContact OE2-CE 3.01Å; E187-K190 IonicContact OE2-NZ 2.75Å; E187-K190 PolarHBondContact OE2-NZ 3.29Å
188G94Very high80.4Confident0 Ų075.4 Ų75.40%043%0.426CS..SBendtrans-59.5-44.9-17800000112.7F9 R10 N81 V83F9-G188 WeakPolarHBondContact CA-O 3.3Å; R10-G188 PolarHBondContact N-O 2.69Å; N81-G188 WeakPolarHBondContact O-CA 3.38Å; N81-G188 PolarHBondContact O-N 2.74Å; V83-G188 WeakPolarHBondContact CG1-O 3.34Å
189V95.9Very high77.9Confident1 Ų182.2 Ų82.21%0.00645%0.449CS..EExtended strand (participates in β ladder)trans-128.7130.5177.4-175.30000109.9Y7 Q8 F9 V83 V175 I180 I182 W186 E187Y7-V189 HydrophobicContact CD1-CG1 4.05Å; Q8-V189 WeakPolarHBondContact O-CA 3.2Å; F9-V189 HydrophobicContact CD1-CB 4.45Å; F9-V189 HydrophobicContact CD1-CG1 4.03Å; F9-V189 HydrophobicContact CD1-CG2 4.08Å; F9-V189 HydrophobicContact CE1-CG1 3.81Å; F9-V189 HydrophobicContact CE1-CG2 4.24Å; V83-V189 HydrophobicContact CB-CG2 3.91Å; V83-V189 HydrophobicContact CG1-CG2 4.08Å; V83-V189 HydrophobicContact CG2-CG2 3.62Å; V175-V189 HydrophobicContact CG2-CG1 4.22Å; V175-V189 HydrophobicContact CG2-CG2 4.15Å; I180-V189 HydrophobicContact CG2-CG2 3.86Å; I182-V189 HydrophobicContact CD1-CG1 4.39Å; I182-V189 HydrophobicContact CG1-CB 4.28Å; I182-V189 HydrophobicContact CG1-CG1 3.82Å; W186-V189 HydrophobicContact CH2-CG2 4.16Å; W186-V189 HydrophobicContact CZ3-CB 4.32Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å; E187-V189 PolarHBondContact O-N 3.08Å
190K94.7Very high74.9Confident75 Ų7581.3 Ų81.333%0.32645%0.452SS..EExtended strand (participates in β ladder)trans-124.2148.7167.6-61.4-167.3173.3-168.80111.1Y7 Q8 E187Y7-K190 CarbonylContact C-O 3.51Å; Y7-K190 VanDerWaalsContact CA-O 3.23Å; Y7-K190 WeakPolarHBondContact CA-O 3.5Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 3.16Å; Q8-K190 PolarHBondContact O-N 3.38Å; E187-K190 WeakPolarHBondContact OE1-CE 3.27Å; E187-K190 IonicContact OE1-NZ 3.81Å; E187-K190 PolarHBondContact OE1-NZ 3.49Å; E187-K190 WeakPolarHBondContact OE2-CE 3.01Å; E187-K190 IonicContact OE2-NZ 2.75Å; E187-K190 PolarHBondContact OE2-NZ 3.29Å
191S91.3Very high72.1Confident82 Ų8285.7 Ų85.757%0.57348%0.484SS*.EExtended strand (participates in β ladder)trans-65.2157.117053.40000111.6
192G81.2Confident69.5Low17 Ų1788.2 Ų88.218%0.17550%0.496CS..PPolyproline II helixtrans-57.1144.6179.800000114W5 L6W5-G192 WeakPolarHBondContact O-CA 3.1Å; L6-G192 VanDerWaalsContact O-CA 3.28Å; L6-G192 WeakPolarHBondContact O-CA 3.27Å; L6-G192 PolarHBondContact O-N 3.03Å
193F72.9Confident66.7Low102 Ų10292.9 Ų92.945%0.44752%0.516SS..PPolyproline II helixtrans-79.8126.2174.7-177-103.2000110.6W5 P195W5-F193 HydrophobicContact CH2-CB 3.74Å; W5-F193 HydrophobicContact CH2-CD1 4.46Å; W5-F193 HydrophobicContact CH2-CG 4.36Å; W5-F193 HydrophobicContact CZ2-CB 3.32Å; W5-F193 HydrophobicContact CZ2-CG 4.29Å; F193-P195 HydrophobicContact CD1-CG 4.15Å; F193-P195 HydrophobicContact CE1-CB 3.98Å; F193-P195 HydrophobicContact CE1-CG 4.06Å
194V61.4Low64.2Low46 Ų4694.7 Ų94.728%0.27953%0.533SS..  trans-98.9115.1166.8-1740000107.5M1 T3 N196 M197M1-V194 HydrophobicContact CB-CG1 4.17Å; M1-V194 HydrophobicContact SD-CG1 4.25Å; T3-V194 HydrophobicContact CG2-CG2 3.64Å; V194-N196 PolarHBondContact O-N 3.48Å; V194-M197 PolarHBondContact O-N 3.02Å
195P49.5Very low61.8Low50 Ų5092.5 Ų92.533%0.32553%0.526SS..THydrogen-bonded Turntrans-63.8111.4176.6-15.529.6000109.2I4 F193I4-P195 HydrophobicContact CD1-CG 3.72Å; I4-P195 HydrophobicContact CG1-CG 3.99Å; F193-P195 HydrophobicContact CD1-CG 4.15Å; F193-P195 HydrophobicContact CE1-CB 3.98Å; F193-P195 HydrophobicContact CE1-CG 4.06Å
196N48Very low59.4Low142 Ų14298.5 Ų98.576%0.75953%0.53SS*.THydrogen-bonded Turntrans123.92.3173.2-65.3-15.8000116.7V194 V198V194-N196 PolarHBondContact O-N 3.48Å; N196-V198 PolarHBondContact O-N 3.01Å
197M45.8Very low56.5Low154 Ų154100.9 Ų100.976%0.75956%0.56SS**  trans-7883.6158.5-84.7-174.8169.500109.2V194 H199V194-M197 PolarHBondContact O-N 3.02Å; M197-H199 PolarHBondContact O-N 2.88Å; M197-H199 VanDerWaalsContact O-N 3.12Å
198V39.3Very low54.2Low130 Ų130104.2 Ų104.279%0.78859%0.588SS**  trans-59.3110.3152.8-177.90000104.5N196 S200N196-V198 PolarHBondContact O-N 3.01Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.12Å
199H41.2Very low51.7Low175 Ų175115.9 Ų115.981%0.8163%0.632SS**  trans-56.9106.6161.1-88.7-76.2000105.3M197 S201M197-H199 PolarHBondContact O-N 2.88Å; M197-H199 VanDerWaalsContact O-N 3.12Å; H199-S201 VanDerWaalsContact C-N 3.34Å; H199-S201 PolarHBondContact O-N 3.09Å
200S31.5Very low49Very low104 Ų104123.8 Ų123.873%0.72767%0.669SS**  trans-54.3107.9164.849.70000105.5V198 E202V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.12Å; S200-E202 PolarHBondContact O-N 2.91Å; S200-E202 VanDerWaalsContact O-N 3.09Å
201S35.2Very low46.2Very low107 Ų107126.2 Ų126.275%0.74869%0.694SS**  trans-46121.4164.4-29.70000106H199 E203H199-S201 VanDerWaalsContact C-N 3.34Å; H199-S201 PolarHBondContact O-N 3.09Å; S201-E203 PolarHBondContact O-N 2.84Å; S201-E203 VanDerWaalsContact O-N 3.08Å
202E36.4Very low43.8Very low180 Ų180130.1 Ų130.184%0.84170%0.701SS**  trans-45.9122.5170.4-70.9170.8146.900107.8S200 V204S200-E202 PolarHBondContact O-N 2.91Å; S200-E202 VanDerWaalsContact O-N 3.09Å; E202-V204 VanDerWaalsContact C-N 3.29Å; E202-V204 PolarHBondContact O-N 2.83Å
203E34.2Very low42Very low183 Ų183138.8 Ų138.886%0.85576%0.757SS**  trans-57100.7167.4-77.5-176.9149.700106.9S201 T205S201-E203 PolarHBondContact O-N 2.84Å; S201-E203 VanDerWaalsContact O-N 3.08Å; E203-T205 PolarHBondContact O-N 3.08Å
204V36.4Very low40.5Very low128 Ų128140.6 Ų140.678%0.77677%0.772SS**  trans-60.198.6160.2176.50000105.2E202 K206E202-V204 VanDerWaalsContact C-N 3.29Å; E202-V204 PolarHBondContact O-N 2.83Å; V204-K206 PolarHBondContact O-N 2.87Å
205T36Very low39.4Very low127 Ų127145.6 Ų145.678%0.77980%0.798SS**  trans-50.6105.1167.543.80000107.5E203 G207E203-T205 PolarHBondContact O-N 3.08Å; T205-G207 VanDerWaalsContact C-N 3.26Å; T205-G207 PolarHBondContact O-N 2.83Å
206K36Very low38.8Very low202 Ų202150.9 Ų150.988%0.87882%0.824SS**  trans-62.892.5169.7-92.6-179174.71760107.6V204 S208V204-K206 PolarHBondContact O-N 2.87Å; K206-S208 PolarHBondContact O-N 3.2Å
207G33.3Very low38.3Very low65 Ų65151.4 Ų151.467%0.6783%0.828SS**  trans-57.1117.9159.600000108.2T205 R209T205-G207 VanDerWaalsContact C-N 3.26Å; T205-G207 PolarHBondContact O-N 2.83Å; G207-R209 PolarHBondContact O-N 3.08Å; G207-R209 VanDerWaalsContact O-N 3.08Å
208S45.2Very low37.8Very low119 Ų119151.3 Ų151.383%0.83283%0.833SS**  trans-52.8110172.150.20000110.4K206K206-S208 PolarHBondContact O-N 3.2Å
209R40Very low37.7Very low244 Ų244152.7 Ų152.792%0.92184%0.836SS**  trans-113.799155.9-73.1-171.3-177.2-174.61.8107.6G207 C211G207-R209 PolarHBondContact O-N 3.08Å; G207-R209 VanDerWaalsContact O-N 3.08Å; R209-C211 PolarHBondContact O-N 3.36Å
210Q39.2Very low37.5Very low167 Ų167151.1 Ų151.178%0.7884%0.837SS**  trans-55.9122.7160.1-95.7168.4-32.800108.1F212Q210-F212 HydrophobicContact CB-CD2 4.26Å; Q210-F212 HydrophobicContact CB-CE2 4.45Å; Q210-F212 PolarHBondContact O-N 3.49Å
211C36.5Very low37.9Very low127 Ų127154.7 Ų154.786%0.85885%0.846SS**  trans-76.1116.4163.3-147.20000106.9R209R209-C211 PolarHBondContact O-N 3.36Å
212F40Very low38.2Very low164 Ų164158.7 Ų158.772%0.71985%0.854SS**  trans-110.3127163.3-96.1-86.4000107.1Q210Q210-F212 HydrophobicContact CB-CD2 4.26Å; Q210-F212 HydrophobicContact CB-CE2 4.45Å; Q210-F212 PolarHBondContact O-N 3.49Å
213C45Very low38.3Very low198 Ų198156.7 Ų156.7100%1.33886%0.855SS**  trans56.50175.840.40000117.5

Retrieved 213 of 213 residues in 494.2 ms (Link to these results)

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