A0A060YBA2_ONCMY Loading...

Ras-related protein Rab-39B

AlphaFold DB , UniProt , Accession A0A060YBA2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531435, 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
1M52.5Low85.3Confident199 Ų19960.7 Ų60.798%0.9830%0.295SS*.  0121.30-79.1-179.3-8100107.1
2E60.5Low86.3Confident185 Ų18555.7 Ų55.786%0.86427%0.271SS*.  trans-86.8136.9-175-69.3-179.4170.100110.5
3A68.1Low87.2Confident31 Ų3151.4 Ų51.426%0.25625%0.25SC..  trans-60.7140.5173.500000109.7W5 V194A3-W5 VanDerWaalsContact CB-O 3.23Å; A3-W5 WeakPolarHBondContact CB-O 3.3Å; A3-W5 PolarHBondContact O-N 2.81Å; A3-V194 HydrophobicContact CB-CG2 3.97Å
4I85.6Confident87.9Confident62 Ų6247.7 Ų47.732%0.31823%0.232SC..SBendtrans-61.3-35.3179-57177.1000109.8R57 F193 P195I4-R57 VanDerWaalsContact O-CZ 3.29Å; I4-R57 PolarHBondContact O-NE 2.96Å; I4-R57 PolarHBondContact O-NH2 3.4Å; I4-F193 HydrophobicContact CD1-CD1 4.33Å; I4-F193 PolarHBondContact N-O 3.37Å; I4-P195 HydrophobicContact CD1-CG 3.81Å; I4-P195 HydrophobicContact CG1-CG 4.09Å
5W91.8Very high88.5Confident37 Ų3744.5 Ų44.514%0.1422%0.217CC..  trans-139.9153.3169.855.484.7000109.4A3 L49 R57 K59 G192 F193A3-W5 VanDerWaalsContact CB-O 3.23Å; A3-W5 WeakPolarHBondContact CB-O 3.3Å; A3-W5 PolarHBondContact O-N 2.81Å; W5-L49 HydrophobicContact CB-CD2 3.83Å; W5-L49 HydrophobicContact CD2-CD2 4.19Å; W5-L49 HydrophobicContact CE3-CD1 4.46Å; W5-L49 HydrophobicContact CE3-CD2 3.85Å; W5-L49 HydrophobicContact CG-CD2 4.21Å; W5-R57 CarbonylContact C-O 3.6Å; W5-R57 VanDerWaalsContact CA-O 3.27Å; W5-R57 WeakPolarHBondContact CA-O 3.03Å; W5-R57 HydrophobicContact CB-CB 4.34Å; W5-R57 WeakPolarHBondContact CB-O 3.29Å; W5-K59 HydrophobicContact CB-CB 4.43Å; W5-K59 HydrophobicContact CD2-CB 3.97Å; W5-K59 HydrophobicContact CD2-CD 4.18Å; W5-K59 HydrophobicContact CE3-CD 4.42Å; W5-K59 HydrophobicContact CG-CB 3.86Å; W5-K59 HydrophobicContact CH2-CD 4.1Å; W5-K59 HydrophobicContact CZ2-CD 3.79Å; W5-K59 HydrophobicContact CZ3-CD 4.4Å; W5-G192 WeakPolarHBondContact O-CA 3.45Å; W5-F193 HydrophobicContact CH2-CB 3.81Å; W5-F193 HydrophobicContact CH2-CD1 4.49Å; W5-F193 HydrophobicContact CH2-CG 4.43Å; W5-F193 HydrophobicContact CZ2-CB 3.35Å; W5-F193 HydrophobicContact CZ2-CG 4.32Å
6L93.3Very high89Confident58 Ų5843.1 Ų43.130%0.30421%0.21SC..SBendtrans-77-39.6-179.1-64176.9000112.7K56 R57 I58 F172 G192L6-K56 HydrophobicContact CD1-CB 3.83Å; L6-K56 HydrophobicContact CD1-CD 4.26Å; L6-K56 HydrophobicContact CD1-CG 3.89Å; L6-R57 PolarHBondContact N-O 2.89Å; L6-I58 HydrophobicContact CB-CD1 4.06Å; L6-F172 HydrophobicContact CD1-CE2 4.07Å; L6-F172 HydrophobicContact CD1-CZ 4.45Å; L6-G192 VanDerWaalsContact O-CA 3.32Å; L6-G192 WeakPolarHBondContact O-CA 3.33Å; L6-G192 PolarHBondContact O-N 3.29Å
7Y95.7Very high89.3Confident32 Ų3242.8 Ų42.813%0.12521%0.213CC..EExtended strand (participates in β ladder)trans-144.2159.4178.6-61.8-77.7000110.9F9 I58 K59 F172 V175 R176 I182 V189 K190Y7-F9 VanDerWaalsContact CB-CE1 3.43Å; Y7-F9 HydrophobicContact CD2-CE1 4.39Å; Y7-F9 HydrophobicContact CD2-CZ 4.36Å; Y7-F9 AromaticContact CG-CE1 3.95Å; Y7-F9 HydrophobicContact CG-CE1 3.95Å; Y7-F9 HydrophobicContact CG-CZ 4.36Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-K59 PolarHBondContact O-N 3.11Å; Y7-F172 AromaticContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CE2 4.1Å; Y7-F172 HydrophobicContact CE2-CD2 4.02Å; Y7-F172 AromaticContact CE2-CE2 3.86Å; Y7-F172 HydrophobicContact CE2-CE2 3.86Å; Y7-V175 HydrophobicContact CD1-CG1 4.3Å; Y7-V175 HydrophobicContact CD2-CG1 4.48Å; Y7-V175 HydrophobicContact CE1-CG1 3.69Å; Y7-V175 HydrophobicContact CE2-CG1 3.88Å; Y7-V175 VanDerWaalsContact CZ-CG1 3.44Å; Y7-R176 VanDerWaalsContact CZ-NH2 3.31Å; Y7-R176 PolarHBondContact OH-NE 3.22Å; Y7-R176 PolarHBondContact OH-NH2 3.28Å; Y7-I182 HydrophobicContact CD1-CD1 4.41Å; Y7-I182 HydrophobicContact CE1-CD1 4.17Å; Y7-V189 HydrophobicContact CD1-CG1 4.01Å; Y7-K190 CarbonylContact C-O 3.55Å; Y7-K190 VanDerWaalsContact CA-O 3.26Å; Y7-K190 WeakPolarHBondContact CA-O 3.48Å
8Q97.2Very high89.6Confident22 Ų2246.1 Ų46.110%0.10324%0.236CC..EExtended strand (participates in β ladder)trans-111.9127.8163.6-177.5-175.4-85.300108.9K59 Q61 V189 K190Q8-K59 CarbonylContact C-O 3.56Å; Q8-K59 WeakPolarHBondContact CA-O 3.29Å; Q8-K59 HydrophobicContact CB-CB 4.22Å; Q8-K59 HydrophobicContact CG-CB 4.15Å; Q8-K59 HydrophobicContact CG-CD 4.29Å; Q8-K59 HydrophobicContact CG-CG 4.22Å; Q8-Q61 HydrophobicContact CG-CG 4.01Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.26Å; Q8-V189 WeakPolarHBondContact O-CA 3.25Å; Q8-K190 HydrophobicContact CB-CB 4.27Å; Q8-K190 PolarHBondContact N-O 2.74Å; Q8-K190 PolarHBondContact O-N 3.42Å
9F97.9Very high90Very high0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-111.9136176.5-60.8-22.6000110.7Y7 L11 I58 K59 L60 Q61 V83 T168 I171 F172 V175 G188 V189Y7-F9 VanDerWaalsContact CB-CE1 3.43Å; Y7-F9 HydrophobicContact CD2-CE1 4.39Å; Y7-F9 HydrophobicContact CD2-CZ 4.36Å; Y7-F9 AromaticContact CG-CE1 3.95Å; Y7-F9 HydrophobicContact CG-CE1 3.95Å; Y7-F9 HydrophobicContact CG-CZ 4.36Å; F9-L11 HydrophobicContact CB-CD2 4.45Å; F9-I58 HydrophobicContact CD1-CG2 4.48Å; F9-I58 HydrophobicContact CD2-CG2 3.55Å; F9-I58 HydrophobicContact CE2-CG2 3.68Å; F9-I58 HydrophobicContact CG-CG2 3.97Å; F9-I58 HydrophobicContact CZ-CD1 4.44Å; F9-I58 HydrophobicContact CZ-CG2 4.2Å; F9-K59 PolarHBondContact N-O 2.9Å; F9-L60 HydrophobicContact CB-CD2 4.09Å; F9-L60 HydrophobicContact CD2-CD2 4.28Å; F9-Q61 PolarHBondContact O-N 3.22Å; F9-V83 HydrophobicContact CB-CG1 3.82Å; F9-V83 HydrophobicContact CD1-CG1 4.38Å; F9-V83 HydrophobicContact CG-CG1 4.2Å; F9-T168 HydrophobicContact CD2-CG2 3.98Å; F9-T168 HydrophobicContact CE2-CG2 3.94Å; F9-I171 HydrophobicContact CD1-CG2 4.12Å; F9-I171 HydrophobicContact CD2-CB 4.1Å; F9-I171 HydrophobicContact CD2-CD1 4.48Å; F9-I171 HydrophobicContact CD2-CG2 3.78Å; F9-I171 HydrophobicContact CE1-CG2 3.97Å; F9-I171 HydrophobicContact CE2-CB 3.86Å; F9-I171 HydrophobicContact CE2-CG2 3.61Å; F9-I171 HydrophobicContact CG-CG2 4.05Å; F9-I171 HydrophobicContact CZ-CB 4.37Å; F9-I171 HydrophobicContact CZ-CG2 3.73Å; F9-F172 HydrophobicContact CE2-CB 4.26Å; F9-F172 HydrophobicContact CZ-CB 4.26Å; F9-V175 HydrophobicContact CE1-CG2 4.25Å; F9-V175 HydrophobicContact CZ-CG2 4.44Å; F9-G188 WeakPolarHBondContact CA-O 3.1Å; F9-V189 HydrophobicContact CD1-CB 4.48Å; F9-V189 HydrophobicContact CD1-CG1 4.07Å; F9-V189 HydrophobicContact CD1-CG2 4.1Å; F9-V189 HydrophobicContact CE1-CG1 3.85Å; F9-V189 HydrophobicContact CE1-CG2 4.26Å
10R97.6Very high90.3Very high42 Ų4242.1 Ų42.116%0.15822%0.219CC..EExtended strand (participates in β ladder)trans-92.3119.4166.9-80.6-172.1176.2174.712.6110.7Q61 N81 V83 G84 E187 G188R10-Q61 CarbonylContact C-O 3.52Å; R10-Q61 WeakPolarHBondContact CA-O 3.24Å; R10-Q61 HydrophobicContact CG-CB 3.89Å; R10-N81 VanDerWaalsContact CB-O 3.23Å; R10-N81 WeakPolarHBondContact CB-O 3.39Å; R10-N81 VanDerWaalsContact CD-O 3.24Å; R10-N81 WeakPolarHBondContact CD-O 3.36Å; R10-V83 WeakPolarHBondContact O-CG1 3.45Å; R10-V83 PolarHBondContact O-N 2.75Å; R10-G84 PolarHBondContact O-N 2.68Å; R10-E187 VanDerWaalsContact CD-O 3.3Å; R10-E187 WeakPolarHBondContact CD-O 3.3Å; R10-E187 WeakPolarHBondContact CG-O 3.46Å; R10-E187 IonicContact CZ-OE2 2.68Å; R10-E187 IonicContact NH1-OE2 3.84Å; R10-E187 IonicContact NH2-OE2 2.82Å; R10-E187 PolarHBondContact NH2-OE2 3.46Å; R10-G188 PolarHBondContact N-O 3.41Å
11L98.3Very high90.6Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-109.1145.1176.1-54.1-173.9000109.9F9 L60 Q61 I62 W63 G84 F164 L167 I171F9-L11 HydrophobicContact CB-CD2 4.45Å; L11-L60 HydrophobicContact CD1-CB 4.44Å; L11-L60 HydrophobicContact CD1-CD1 4Å; L11-L60 HydrophobicContact CD1-CD2 4.02Å; L11-L60 HydrophobicContact CD1-CG 4.38Å; L11-L60 HydrophobicContact CG-CD2 4.42Å; L11-Q61 PolarHBondContact N-O 2.75Å; L11-I62 WeakPolarHBondContact O-CA 3.24Å; L11-W63 PolarHBondContact O-N 3.3Å; L11-G84 VanDerWaalsContact CA-O 3.28Å; L11-G84 WeakPolarHBondContact CA-O 3.42Å; L11-F164 HydrophobicContact CD1-CD1 4.2Å; L11-L167 HydrophobicContact CD1-CD2 4.35Å; L11-L167 HydrophobicContact CD2-CD2 4.15Å; L11-I171 HydrophobicContact CD2-CD1 3.77Å
12I97.2Very high92.7Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-119.1142.5170.8-165.7173.6000109.9I14 W63 T65 T75 Y79 G84 G85 L86 I116I12-I14 HydrophobicContact CD1-CG2 3.97Å; I12-I14 HydrophobicContact CG1-CG2 3.9Å; I12-W63 HydrophobicContact CG1-CB 4.29Å; I12-T65 HydrophobicContact CD1-CG2 3.84Å; I12-T65 HydrophobicContact CG1-CG2 3.55Å; I12-T75 HydrophobicContact CD1-CG2 4.42Å; I12-Y79 HydrophobicContact CD1-CD1 3.66Å; I12-Y79 HydrophobicContact CD1-CE1 3.81Å; I12-G84 PolarHBondContact N-O 3.48Å; I12-G85 CarbonylContact O-C 3.3Å; I12-G85 WeakPolarHBondContact O-CA 3.2Å; I12-L86 PolarHBondContact O-N 2.93Å; I12-I116 HydrophobicContact CG2-CD1 4.33Å
13V98Very high94.4Very high0 Ų023.7 Ų23.70%013%0.133CC..EExtended strand (participates in β ladder)trans-115116.1176.2-1730000108.1K21 I25 I62 W63 T65 L86 L88V13-K21 HydrophobicContact CG1-CB 3.79Å; V13-K21 HydrophobicContact CG1-CD 4.07Å; V13-K21 HydrophobicContact CG1-CG 3.83Å; V13-I25 HydrophobicContact CB-CD1 3.81Å; V13-I25 HydrophobicContact CB-CG1 4.42Å; V13-I25 HydrophobicContact CG1-CD1 4.21Å; V13-I25 HydrophobicContact CG2-CD1 3.59Å; V13-I25 HydrophobicContact CG2-CG1 3.83Å; V13-I62 HydrophobicContact CG2-CG2 3.8Å; V13-W63 PolarHBondContact N-O 2.79Å; V13-T65 PolarHBondContact O-OG1 2.71Å; V13-L86 WeakPolarHBondContact CA-O 3.4Å; V13-L86 HydrophobicContact CG1-CB 4.34Å; V13-L86 HydrophobicContact CG2-CB 4.41Å; V13-L86 HydrophobicContact CG2-CD1 4Å; V13-L88 HydrophobicContact CG1-CD1 3.58Å; V13-L88 HydrophobicContact CG1-CD2 4.25Å; V13-L88 HydrophobicContact CG1-CG 4.49Å
14I97.3Very high95.9Very high0 Ų022.2 Ų22.20%012%0.12CC..EExtended strand (participates in β ladder)trans-126.6167-175.259.8169.8000111.9I12 T65 T75 Y79 L86 L87 L88 W103 A107 F118I12-I14 HydrophobicContact CD1-CG2 3.97Å; I12-I14 HydrophobicContact CG1-CG2 3.9Å; I14-T65 HydrophobicContact CG2-CG2 4.36Å; I14-T75 HydrophobicContact CG2-CG2 4.11Å; I14-Y79 HydrophobicContact CD1-CE1 4.19Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; I14-L86 PolarHBondContact N-O 2.82Å; I14-L87 HydrophobicContact CD1-CD1 4.06Å; I14-L87 HydrophobicContact CG1-CB 4.48Å; I14-L87 HydrophobicContact CG1-CD1 3.85Å; I14-L88 PolarHBondContact O-N 3.39Å; I14-W103 HydrophobicContact CB-CE3 4.05Å; I14-W103 HydrophobicContact CB-CZ3 4.33Å; I14-W103 HydrophobicContact CD1-CB 4.41Å; I14-W103 HydrophobicContact CD1-CE3 4.38Å; I14-A107 HydrophobicContact CD1-CB 4.26Å; I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.92Å; I14-F118 HydrophobicContact CG1-CE1 4.11Å
15G97.2Very high96.4Very high0 Ų019.2 Ų19.20%011%0.105CC..  trans134.1171.1-172.500000111.1K21 G67 L88 W103G15-K21 PolarHBondContact O-NZ 3.07Å; G15-G67 VanDerWaalsContact O-CA 3.31Å; G15-G67 WeakPolarHBondContact O-CA 3.43Å; G15-L88 WeakPolarHBondContact CA-O 3.32Å; G15-W103 VanDerWaalsContact C-CE2 3.46Å; G15-W103 VanDerWaalsContact O-CZ2 3.31Å; G15-W103 WeakPolarHBondContact O-CZ2 3.44Å
16D96.1Very high96.6Very high22 Ų2221.9 Ų21.912%0.11812%0.115CC..  trans-57.3162-175.4-81.48.9000113.5V19 K21 N99 W103D16-V19 HydrophobicContact CB-CG1 3.7Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.41Å; D16-K21 PolarHBondContact O-NZ 2.87Å; D16-N99 PolarHBondContact OD1-ND2 3.03Å; D16-N99 PolarHBondContact OD2-ND2 3.43Å; D16-W103 PolarHBondContact OD1-NE1 3.26Å
17S93.8Very high96.8Very high37 Ų3721.8 Ų21.826%0.25911%0.111SC..THydrogen-bonded Turntrans-56.4152.5166.9-164.80000110.1V19 G67S17-V19 PolarHBondContact O-N 2.71Å; S17-G67 PolarHBondContact N-O 3.45Å
18T94.3Very high96.9Very high102 Ų10220.3 Ų20.363%0.62611%0.105SC*.THydrogen-bonded Turntrans62.9-1.1175.978.60000117.7G20 K124T18-G20 PolarHBondContact O-N 2.89Å; T18-K124 WeakPolarHBondContact O-CE 3.44Å; T18-K124 PolarHBondContact O-NZ 3.18Å
19V96.9Very high96.9Very high0 Ų020.9 Ų20.90%011%0.11CC..SBendtrans-67.9-17176.7-55.50000113.9D16 S17 K21 L88 D90 H123D16-V19 HydrophobicContact CB-CG1 3.7Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.41Å; S17-V19 PolarHBondContact O-N 2.71Å; V19-K21 HydrophobicContact CG2-CD 4.48Å; V19-K21 HydrophobicContact CG2-CG 3.79Å; V19-L88 HydrophobicContact CG2-CB 3.82Å; V19-D90 HydrophobicContact CB-CB 4.18Å; V19-D90 HydrophobicContact CG1-CB 4.19Å; V19-H123 PolarHBondContact O-CD2 3.14Å
20G96.7Very high96.7Very high13 Ų1324.6 Ų24.613%0.13413%0.128CC..SBendtrans106.320.5174.100000116.3T18 S22 C23 L24T18-G20 PolarHBondContact O-N 2.89Å; G20-S22 PolarHBondContact O-N 3.17Å; G20-C23 PolarHBondContact O-N 2.9Å; G20-L24 WeakPolarHBondContact O-CB 3.2Å; G20-L24 PolarHBondContact O-N 3.29Å
21K97.2Very high96.5Very high9 Ų924.9 Ų24.94%0.03914%0.143CC..Hα-helixtrans-50.3-56.8178.2-60.5-172.8-61.6-74.60113.2V13 G15 D16 V19 C23 L24 I25 T65 L88V13-K21 HydrophobicContact CG1-CB 3.79Å; V13-K21 HydrophobicContact CG1-CD 4.07Å; V13-K21 HydrophobicContact CG1-CG 3.83Å; G15-K21 PolarHBondContact O-NZ 3.07Å; D16-K21 PolarHBondContact O-NZ 2.87Å; V19-K21 HydrophobicContact CG2-CD 4.48Å; V19-K21 HydrophobicContact CG2-CG 3.79Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.09Å; K21-L24 PolarHBondContact O-N 2.96Å; K21-I25 WeakPolarHBondContact O-CG1 3.31Å; K21-I25 PolarHBondContact O-N 3.5Å; K21-T65 WeakPolarHBondContact CE-O 3.4Å; K21-L88 HydrophobicContact CB-CD2 4.36Å; K21-L88 HydrophobicContact CG-CB 4.32Å; K21-L88 HydrophobicContact CG-CD2 3.91Å
22S96.2Very high95.9Very high11 Ų1132.6 Ų32.68%0.07717%0.172CC..Hα-helixtrans-60.9-39.5178.9-42.60000112.4G20 I25 R26 T40 D64G20-S22 PolarHBondContact O-N 3.17Å; S22-I25 PolarHBondContact O-N 3.42Å; S22-R26 WeakPolarHBondContact O-CB 3.37Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.35Å; S22-R26 PolarHBondContact O-N 3.3Å; S22-T40 PolarHBondContact OG-OG1 2.65Å; S22-D64 WeakPolarHBondContact CA-OD2 3.42Å; S22-D64 WeakPolarHBondContact CB-OD2 3.22Å; S22-D64 PolarHBondContact OG-OD1 3.39Å; S22-D64 PolarHBondContact OG-OD2 3.07Å
23C96.9Very high95.5Very high19 Ų1936.2 Ų36.213%0.12819%0.188CC..Hα-helixtrans-65.1-42.1177.2-62.50000111.8G20 K21 R27 F33 A154G20-C23 PolarHBondContact O-N 2.9Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.09Å; C23-R27 VanDerWaalsContact O-CB 3.25Å; C23-R27 WeakPolarHBondContact O-CB 3.47Å; C23-R27 PolarHBondContact O-N 3.5Å; C23-F33 HydrophobicContact CB-CD2 4.36Å; C23-F33 HydrophobicContact CB-CE2 4.29Å; C23-A154 HydrophobicContact CB-CB 3.89Å
24L98.1Very high94.7Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-62.3-47.5176.3-179.165.5000110.8G20 K21 R27 F28 L86 L88 V121 T152 V160 F164G20-L24 WeakPolarHBondContact O-CB 3.2Å; G20-L24 PolarHBondContact O-N 3.29Å; K21-L24 PolarHBondContact O-N 2.96Å; L24-R27 PolarHBondContact O-N 3.04Å; L24-F28 WeakPolarHBondContact O-CB 3.15Å; L24-F28 PolarHBondContact O-N 2.98Å; L24-L86 HydrophobicContact CD2-CD2 4.31Å; L24-L88 HydrophobicContact CB-CD2 4.27Å; L24-L88 HydrophobicContact CD2-CD1 4.15Å; L24-L88 HydrophobicContact CD2-CD2 3.63Å; L24-L88 HydrophobicContact CD2-CG 4.19Å; L24-V121 HydrophobicContact CD2-CG1 4.34Å; L24-T152 HydrophobicContact CD1-CG2 4.44Å; L24-V160 HydrophobicContact CD1-CB 4.29Å; L24-V160 HydrophobicContact CD1-CG1 3.96Å; L24-V160 HydrophobicContact CD1-CG2 3.91Å; L24-F164 HydrophobicContact CD1-CE2 4.44Å; L24-F164 HydrophobicContact CD2-CE2 4.38Å; L24-F164 HydrophobicContact CG-CE2 4Å; L24-F164 HydrophobicContact CG-CZ 4.34Å
25I97.6Very high93.7Very high0 Ų046.9 Ų46.90%025%0.245CC..Hα-helixtrans-64.6-48.8-179.9-62.6163.2000110.5V13 K21 S22 R27 F28 T29 F46 I62 D64 F164V13-I25 HydrophobicContact CB-CD1 3.81Å; V13-I25 HydrophobicContact CB-CG1 4.42Å; V13-I25 HydrophobicContact CG1-CD1 4.21Å; V13-I25 HydrophobicContact CG2-CD1 3.59Å; V13-I25 HydrophobicContact CG2-CG1 3.83Å; K21-I25 WeakPolarHBondContact O-CG1 3.31Å; K21-I25 PolarHBondContact O-N 3.5Å; S22-I25 PolarHBondContact O-N 3.42Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.37Å; I25-F28 CarbonylContact O-C 3.5Å; I25-F28 WeakPolarHBondContact O-CA 3.17Å; I25-F28 WeakPolarHBondContact O-CB 3.4Å; I25-F28 PolarHBondContact O-N 3.11Å; I25-F28 VanDerWaalsContact O-N 3.1Å; I25-T29 HydrophobicContact CG2-CG2 4.03Å; I25-T29 WeakPolarHBondContact O-CG2 3.33Å; I25-T29 PolarHBondContact O-N 3.37Å; I25-T29 PolarHBondContact O-OG1 2.89Å; I25-F46 HydrophobicContact CG2-CB 3.89Å; I25-F46 HydrophobicContact CG2-CD1 4.12Å; I25-F46 HydrophobicContact CG2-CD2 3.41Å; I25-F46 VanDerWaalsContact CG2-CD2 3.41Å; I25-F46 HydrophobicContact CG2-CE2 3.93Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.46Å; I25-I62 HydrophobicContact CD1-CG2 4.1Å; I25-I62 HydrophobicContact CG1-CG2 4.08Å; I25-I62 HydrophobicContact CG2-CG2 4.18Å; I25-D64 HydrophobicContact CD1-CB 3.4Å; I25-F164 HydrophobicContact CG1-CZ 4.33Å
26R95.9Very high92.8Very high93 Ų9352.7 Ų52.735%0.35128%0.28SS..Hα-helixtrans-64-37.2178.8-71.4-179.2-174.6-158.92.3112.3S22 F28 T29 E30 G31 R32 F46S22-R26 WeakPolarHBondContact O-CB 3.37Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.35Å; S22-R26 PolarHBondContact O-N 3.3Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 2.81Å; R26-T29 PolarHBondContact O-N 2.68Å; R26-E30 WeakPolarHBondContact O-CA 3.47Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.48Å; R26-E30 PolarHBondContact O-N 2.77Å; R26-G31 PolarHBondContact O-N 2.87Å; R26-R32 CarbonylContact C-O 3.47Å; R26-F46 HydrophobicContact CG-CE1 4Å; R26-F46 HydrophobicContact CG-CZ 4.09Å
27R97.5Very high92Very high55 Ų5554 Ų5421%0.20829%0.291CS..Hα-helixtrans-62.2-41.6173.1178.158.27717620.7110.8C23 L24 I25 G31 R32 F33 A154 R155 V160C23-R27 VanDerWaalsContact O-CB 3.25Å; C23-R27 WeakPolarHBondContact O-CB 3.47Å; C23-R27 PolarHBondContact O-N 3.5Å; L24-R27 PolarHBondContact O-N 3.04Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.37Å; R27-G31 PolarHBondContact NH1-O 2.86Å; R27-G31 WeakPolarHBondContact O-CA 3.42Å; R27-G31 PolarHBondContact O-N 3.43Å; R27-G31 VanDerWaalsContact O-N 3.1Å; R27-R32 WeakPolarHBondContact CA-O 3.3Å; R27-R32 PolarHBondContact N-O 3.47Å; R27-F33 VanDerWaalsContact CZ-CB 3.49Å; R27-A154 HydrophobicContact CB-CB 4.12Å; R27-A154 PolarHBondContact NE-O 2.8Å; R27-A154 PolarHBondContact NH2-O 3.23Å; R27-R155 PolarHBondContact NH2-O 3.36Å; R27-V160 HydrophobicContact CB-CG1 4.31Å; R27-V160 HydrophobicContact CG-CB 4.35Å; R27-V160 HydrophobicContact CG-CG1 4.01Å; R27-V160 HydrophobicContact CG-CG2 3.94Å
28F98Very high91.5Very high2 Ų258.8 Ų58.81%0.00931%0.314CS..Hα-helixtrans-67.9-46.8175.9177.8-114.7000112.2L24 I25 R26 R48 V50 L60 I62 V160 E161 F164L24-F28 WeakPolarHBondContact O-CB 3.15Å; L24-F28 PolarHBondContact O-N 2.98Å; I25-F28 CarbonylContact O-C 3.5Å; I25-F28 WeakPolarHBondContact O-CA 3.17Å; I25-F28 WeakPolarHBondContact O-CB 3.4Å; I25-F28 PolarHBondContact O-N 3.11Å; I25-F28 VanDerWaalsContact O-N 3.1Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 2.81Å; F28-R48 HydrophobicContact CE1-CB 4.01Å; F28-R48 HydrophobicContact CE1-CG 4.25Å; F28-R48 HydrophobicContact CZ-CB 4.46Å; F28-R48 HydrophobicContact CZ-CG 4.26Å; F28-R48 WeakPolarHBondContact O-CD 3.25Å; F28-R48 PolarHBondContact O-NH1 3Å; F28-V50 HydrophobicContact CE2-CG1 4.19Å; F28-V50 HydrophobicContact CZ-CG1 3.53Å; F28-L60 HydrophobicContact CE1-CD1 4.09Å; F28-L60 HydrophobicContact CZ-CD1 4.03Å; F28-I62 HydrophobicContact CD1-CD1 3.73Å; F28-I62 HydrophobicContact CE1-CD1 3.65Å; F28-V160 HydrophobicContact CB-CG1 3.68Å; F28-V160 HydrophobicContact CD2-CG1 4.43Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.2Å; F28-F164 HydrophobicContact CB-CD2 3.79Å; F28-F164 HydrophobicContact CB-CE2 3.53Å; F28-F164 HydrophobicContact CB-CZ 4.23Å; F28-F164 HydrophobicContact CD1-CB 4.41Å; F28-F164 AromaticContact CD1-CD1 3.95Å; F28-F164 HydrophobicContact CD1-CD1 3.95Å; F28-F164 AromaticContact CD1-CD2 3.69Å; F28-F164 HydrophobicContact CD1-CD2 3.69Å; F28-F164 HydrophobicContact CD1-CE1 4.09Å; F28-F164 AromaticContact CD1-CE2 3.85Å; F28-F164 HydrophobicContact CD1-CE2 3.85Å; F28-F164 AromaticContact CD1-CG 3.75Å; F28-F164 HydrophobicContact CD1-CG 3.75Å; F28-F164 HydrophobicContact CD1-CZ 4.05Å; F28-F164 HydrophobicContact CD2-CB 4.08Å; F28-F164 AromaticContact CD2-CD2 3.51Å; F28-F164 HydrophobicContact CD2-CD2 3.51Å; F28-F164 HydrophobicContact CD2-CE2 4.18Å; F28-F164 AromaticContact CD2-CG 3.94Å; F28-F164 HydrophobicContact CD2-CG 3.94Å; F28-F164 HydrophobicContact CE1-CB 3.98Å; F28-F164 AromaticContact CE1-CD1 3.89Å; F28-F164 HydrophobicContact CE1-CD1 3.89Å; F28-F164 HydrophobicContact CE1-CD2 4.12Å; F28-F164 HydrophobicContact CE1-CE1 4.41Å; F28-F164 AromaticContact CE1-CG 3.73Å; F28-F164 HydrophobicContact CE1-CG 3.73Å; F28-F164 HydrophobicContact CE2-CB 3.6Å; F28-F164 AromaticContact CE2-CD2 3.96Å; F28-F164 HydrophobicContact CE2-CD2 3.96Å; F28-F164 AromaticContact CE2-CG 3.92Å; F28-F164 HydrophobicContact CE2-CG 3.92Å; F28-F164 HydrophobicContact CG-CB 4.47Å; F28-F164 HydrophobicContact CG-CD1 4.47Å; F28-F164 AromaticContact CG-CD2 3.37Å; F28-F164 HydrophobicContact CG-CD2 3.37Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CZ 4.24Å; F28-F164 HydrophobicContact CZ-CB 3.55Å; F28-F164 HydrophobicContact CZ-CD1 4.35Å; F28-F164 HydrophobicContact CZ-CD2 4.24Å; F28-F164 AromaticContact CZ-CG 3.81Å; F28-F164 HydrophobicContact CZ-CG 3.81Å
29T96.3Very high91Very high34 Ų3457.5 Ų57.521%0.20931%0.307CS..Hα-helixtrans-85.6-32.5-169.454.90000113.1I25 R26 F46 R48 I62I25-T29 HydrophobicContact CG2-CG2 4.03Å; I25-T29 WeakPolarHBondContact O-CG2 3.33Å; I25-T29 PolarHBondContact O-N 3.37Å; I25-T29 PolarHBondContact O-OG1 2.89Å; R26-T29 PolarHBondContact O-N 2.68Å; T29-F46 HydrophobicContact CG2-CB 3.79Å; T29-F46 HydrophobicContact CG2-CD1 4.4Å; T29-F46 HydrophobicContact CG2-CG 4.38Å; T29-R48 HydrophobicContact CG2-CB 4.35Å; T29-I62 HydrophobicContact CG2-CD1 4.08Å
30E94.3Very high90.3Very high78 Ų7858.3 Ų58.336%0.36431%0.312SS..Hα-helixtrans-116-9.8-172.7-56.2171.9-167.600112.8R26 R32R26-E30 WeakPolarHBondContact O-CA 3.47Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.48Å; R26-E30 PolarHBondContact O-N 2.77Å; E30-R32 HydrophobicContact CB-CB 4.33Å; E30-R32 HydrophobicContact CB-CG 4.31Å; E30-R32 PolarHBondContact O-N 2.53Å; E30-R32 IonicContact OE2-CZ 3.91Å; E30-R32 VanDerWaalsContact OE2-CZ 3.29Å; E30-R32 IonicContact OE2-NE 3.08Å; E30-R32 PolarHBondContact OE2-NE 3.04Å; E30-R32 IonicContact OE2-NH2 2.86Å; E30-R32 PolarHBondContact OE2-NH2 3.29Å
31G91.9Very high89.6Confident47 Ų4762.8 Ų62.849%0.48534%0.337SS..SBendtrans6715.5-173.300000113.2R26 R27R26-G31 PolarHBondContact O-N 2.87Å; R27-G31 PolarHBondContact NH1-O 2.86Å; R27-G31 WeakPolarHBondContact O-CA 3.42Å; R27-G31 PolarHBondContact O-N 3.43Å; R27-G31 VanDerWaalsContact O-N 3.1Å
32R87.4Confident88.8Confident162 Ų16262.8 Ų62.861%0.61134%0.339SS*.  trans-113.2151.4-176-64.5-171.1-65.9-160.70.3112.2R26 R27 E30R26-R32 CarbonylContact C-O 3.47Å; R27-R32 WeakPolarHBondContact CA-O 3.3Å; R27-R32 PolarHBondContact N-O 3.47Å; E30-R32 HydrophobicContact CB-CB 4.33Å; E30-R32 HydrophobicContact CB-CG 4.31Å; E30-R32 PolarHBondContact O-N 2.53Å; E30-R32 IonicContact OE2-CZ 3.91Å; E30-R32 VanDerWaalsContact OE2-CZ 3.29Å; E30-R32 IonicContact OE2-NE 3.08Å; E30-R32 PolarHBondContact OE2-NE 3.04Å; E30-R32 IonicContact OE2-NH2 2.86Å; E30-R32 PolarHBondContact OE2-NH2 3.29Å
33F88.1Confident88.3Confident77 Ų7763.4 Ų63.434%0.33834%0.343SS..  trans-125.7132.1169.6172.8-100.9000109.4C23 R27 Q35 A154 R155C23-F33 HydrophobicContact CB-CD2 4.36Å; C23-F33 HydrophobicContact CB-CE2 4.29Å; R27-F33 VanDerWaalsContact CZ-CB 3.49Å; F33-Q35 HydrophobicContact CE1-CB 4.22Å; F33-A154 HydrophobicContact CD2-CB 3.92Å; F33-A154 HydrophobicContact CE2-CB 4.23Å; F33-R155 HydrophobicContact CD1-CG 4.3Å; F33-R155 HydrophobicContact CD2-CB 4.47Å; F33-R155 HydrophobicContact CE1-CB 4.19Å; F33-R155 HydrophobicContact CE1-CG 3.9Å; F33-R155 HydrophobicContact CE2-CB 4.12Å; F33-R155 HydrophobicContact CZ-CB 3.97Å; F33-R155 HydrophobicContact CZ-CG 4.12Å
34A81.3Confident88.1Confident41 Ų4165.8 Ų65.834%0.33935%0.354SS..  trans-106.6122.7172.600000108.4V36A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 WeakPolarHBondContact CB-O 3.23Å; A34-V36 PolarHBondContact O-N 3.47Å
35Q76.2Confident87.9Confident182 Ų18270.3 Ų70.385%0.8537%0.374SS*.SBendtrans-67.5-32.1177.7-171.9174.50.600111.7F33F33-Q35 HydrophobicContact CE1-CB 4.22Å
36V78.1Confident87.8Confident122 Ų12271.5 Ų71.574%0.73938%0.379SS*.SBendtrans-104.7121.3169.8-176.70000107.6A34A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 WeakPolarHBondContact CB-O 3.23Å; A34-V36 PolarHBondContact O-N 3.47Å
37S79.1Confident87.9Confident50 Ų5069.8 Ų69.835%0.3538%0.381SS..  trans-125.5120.2173.2-174.50000108.2
38D82.7Confident87.8Confident137 Ų13770.6 Ų70.673%0.73338%0.384SS*.PPolyproline II helixtrans-62.5147.2171-66.8-40.6000109.9T40D38-T40 PolarHBondContact O-N 3.08Å
39P84.8Confident87.7Confident75 Ų7574.1 Ų74.149%0.48740%0.403SS..PPolyproline II helixtrans-61.2131.1173.9-19.831.5000110.8V41P39-V41 PolarHBondContact O-N 3.2Å
40T81.1Confident87.7Confident17 Ų1772.7 Ų72.710%0.10439%0.394CS..PPolyproline II helixtrans-58.4131.3173.5-42.30000110.4S22 D38 D64 A66S22-T40 PolarHBondContact OG-OG1 2.65Å; D38-T40 PolarHBondContact O-N 3.08Å; T40-D64 PolarHBondContact OG1-OD2 3.15Å; T40-A66 VanDerWaalsContact O-CB 3.25Å; T40-A66 WeakPolarHBondContact O-CB 3.42Å
41V82.4Confident87.7Confident108 Ų10874.4 Ų74.466%0.65540%0.402SS*.  trans-106.8113174.3179.50000107.8P39 F71P39-V41 PolarHBondContact O-N 3.2Å; V41-F71 HydrophobicContact CG1-CE1 4.23Å; V41-F71 HydrophobicContact CG1-CZ 4.02Å
42G81.4Confident87.8Confident8 Ų872.5 Ų72.58%0.08238%0.381CS..SBendtrans75.2-124.6-174.100000111.9A66G42-A66 WeakPolarHBondContact O-CB 3.27Å; G42-A66 PolarHBondContact O-N 3.3Å
43V86.2Confident87.9Confident25 Ų2567.8 Ų67.815%0.15237%0.366CS..EExtended strand (participates in β ladder)trans-139.8132.9-174.3173.10000110.1W63 D64 T65 I74 Y78V43-W63 HydrophobicContact CG1-CB 4.07Å; V43-W63 HydrophobicContact CG1-CD2 4.25Å; V43-W63 HydrophobicContact CG1-CE3 3.68Å; V43-W63 HydrophobicContact CG1-CG 4.41Å; V43-W63 HydrophobicContact CG1-CZ3 4.42Å; V43-D64 CarbonylContact C-O 3.48Å; V43-D64 WeakPolarHBondContact CA-O 3.49Å; V43-D64 WeakPolarHBondContact CG1-O 3.45Å; V43-T65 HydrophobicContact CG2-CG2 4.26Å; V43-I74 HydrophobicContact CG2-CG2 4.03Å; V43-Y78 HydrophobicContact CB-CD2 4.43Å; V43-Y78 HydrophobicContact CB-CE1 4.38Å; V43-Y78 HydrophobicContact CB-CE2 3.95Å; V43-Y78 HydrophobicContact CG1-CD1 4.1Å; V43-Y78 HydrophobicContact CG1-CD2 4.41Å; V43-Y78 HydrophobicContact CG1-CE1 3.81Å; V43-Y78 HydrophobicContact CG1-CE2 4.18Å; V43-Y78 HydrophobicContact CG1-CG 4.39Å; V43-Y78 HydrophobicContact CG2-CD2 3.68Å; V43-Y78 HydrophobicContact CG2-CE2 3.51Å; V43-Y78 HydrophobicContact CG2-CG 4.34Å
44D91.8Very high88Confident68 Ų6870.2 Ų70.236%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-108.7151.2174.7-75.2-32.6000111.8F46 D64D44-F46 HydrophobicContact CB-CE2 3.9Å; D44-D64 HydrophobicContact CB-CB 4.18Å; D44-D64 PolarHBondContact N-O 3.21Å; D44-D64 PolarHBondContact O-N 3.45Å
45F94.1Very high88.3Confident95 Ų9571.1 Ų71.142%0.41740%0.403SS..EExtended strand (participates in β ladder)trans-103.7135.3-179.8-175.4-121.6000112.9Q61 W63F45-Q61 HydrophobicContact CE2-CB 3.8Å; F45-Q61 HydrophobicContact CE2-CG 3.88Å; F45-Q61 HydrophobicContact CZ-CB 4.32Å; F45-Q61 HydrophobicContact CZ-CG 3.91Å; F45-W63 HydrophobicContact CB-CE3 3.95Å; F45-W63 HydrophobicContact CB-CH2 3.78Å; F45-W63 HydrophobicContact CB-CZ3 3.24Å; F45-W63 HydrophobicContact CD2-CD2 4.15Å; F45-W63 AromaticContact CD2-CE3 3.75Å; F45-W63 HydrophobicContact CD2-CE3 3.75Å; F45-W63 AromaticContact CD2-CH2 3.2Å; F45-W63 HydrophobicContact CD2-CH2 3.2Å; F45-W63 AromaticContact CD2-CZ2 3.62Å; F45-W63 HydrophobicContact CD2-CZ2 3.62Å; F45-W63 AromaticContact CD2-CZ3 3.33Å; F45-W63 HydrophobicContact CD2-CZ3 3.33Å; F45-W63 AromaticContact CE2-CH2 4Å; F45-W63 HydrophobicContact CE2-CH2 4Å; F45-W63 HydrophobicContact CE2-CZ2 4.03Å; F45-W63 HydrophobicContact CE2-CZ3 4.47Å; F45-W63 HydrophobicContact CG-CE3 4.32Å; F45-W63 AromaticContact CG-CH2 3.68Å; F45-W63 HydrophobicContact CG-CH2 3.68Å; F45-W63 AromaticContact CG-CZ3 3.63Å; F45-W63 HydrophobicContact CG-CZ3 3.63Å
46F96.2Very high89.1Confident26 Ų2665.8 Ų65.811%0.11438%0.377CS..EExtended strand (participates in β ladder)trans-133.5156.5166.1-57.7-96.7000111.9I25 R26 T29 D44 I62 D64I25-F46 HydrophobicContact CG2-CB 3.89Å; I25-F46 HydrophobicContact CG2-CD1 4.12Å; I25-F46 HydrophobicContact CG2-CD2 3.41Å; I25-F46 VanDerWaalsContact CG2-CD2 3.41Å; I25-F46 HydrophobicContact CG2-CE2 3.93Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.46Å; R26-F46 HydrophobicContact CG-CE1 4Å; R26-F46 HydrophobicContact CG-CZ 4.09Å; T29-F46 HydrophobicContact CG2-CB 3.79Å; T29-F46 HydrophobicContact CG2-CD1 4.4Å; T29-F46 HydrophobicContact CG2-CG 4.38Å; D44-F46 HydrophobicContact CB-CE2 3.9Å; F46-I62 HydrophobicContact CB-CB 4.35Å; F46-I62 PolarHBondContact N-O 3.03Å; F46-I62 PolarHBondContact O-N 2.97Å; F46-D64 HydrophobicContact CD2-CB 4.32Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
47S96.5Very high89.9Confident57 Ų5765.1 Ų65.140%0.39936%0.361SS..EExtended strand (participates in β ladder)trans-140.1136.1176.3177.10000111K59 L60S47-K59 WeakPolarHBondContact OG-CE 3.17Å; S47-L60 VanDerWaalsContact CA-O 3.23Å; S47-L60 WeakPolarHBondContact CA-O 3.44Å; S47-L60 PolarHBondContact OG-O 3.13Å
48R96.3Very high90.7Very high71 Ų7162.8 Ų62.827%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-146.5141.1174.1-178.2164.5176.3-149-14.3110.9F28 T29 L60 E161F28-R48 HydrophobicContact CE1-CB 4.01Å; F28-R48 HydrophobicContact CE1-CG 4.25Å; F28-R48 HydrophobicContact CZ-CB 4.46Å; F28-R48 HydrophobicContact CZ-CG 4.26Å; F28-R48 WeakPolarHBondContact O-CD 3.25Å; F28-R48 PolarHBondContact O-NH1 3Å; T29-R48 HydrophobicContact CG2-CB 4.35Å; R48-L60 PolarHBondContact N-O 2.94Å; R48-L60 PolarHBondContact O-N 3.02Å; R48-E161 IonicContact CZ-OE1 3.29Å; R48-E161 IonicContact CZ-OE2 3.25Å; R48-E161 VanDerWaalsContact CZ-OE2 3.32Å; R48-E161 IonicContact NH1-OE1 2.7Å; R48-E161 IonicContact NH1-OE2 2.9Å; R48-E161 PolarHBondContact NH1-OE2 2.99Å; R48-E161 VanDerWaalsContact NH2-CD 3.31Å; R48-E161 IonicContact NH2-OE1 3.04Å; R48-E161 PolarHBondContact NH2-OE1 2.9Å; R48-E161 IonicContact NH2-OE2 2.71Å; R48-E161 PolarHBondContact NH2-OE2 3.12Å; R48-E161 VanDerWaalsContact NH2-OE2 3.08Å
49L96Very high91.4Very high77 Ų7758.5 Ų58.540%0.40332%0.319SS..EExtended strand (participates in β ladder)trans-84.9132.3167.7-78.8167.7000109.2W5 K59W5-L49 HydrophobicContact CB-CD2 3.83Å; W5-L49 HydrophobicContact CD2-CD2 4.19Å; W5-L49 HydrophobicContact CE3-CD1 4.46Å; W5-L49 HydrophobicContact CE3-CD2 3.85Å; W5-L49 HydrophobicContact CG-CD2 4.21Å; L49-K59 HydrophobicContact CD2-CB 3.74Å; L49-K59 HydrophobicContact CD2-CG 4.24Å
50V96Very high92.1Very high3 Ų355 Ų552%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-120.5144.8172.7-63.80000110F28 I52 R57 I58 L60 T168F28-V50 HydrophobicContact CE2-CG1 4.19Å; F28-V50 HydrophobicContact CZ-CG1 3.53Å; V50-I52 HydrophobicContact CG2-CG2 4.35Å; V50-R57 CarbonylContact O-C 3.49Å; V50-R57 VanDerWaalsContact O-CA 3.28Å; V50-R57 WeakPolarHBondContact O-CA 3.17Å; V50-I58 HydrophobicContact CG2-CB 4.08Å; V50-I58 PolarHBondContact N-O 2.97Å; V50-I58 PolarHBondContact O-N 3.07Å; V50-L60 HydrophobicContact CG1-CD1 3.78Å; V50-L60 HydrophobicContact CG1-CG 4.39Å; V50-L60 HydrophobicContact CG2-CD1 3.91Å; V50-L60 HydrophobicContact CG2-CD2 4.36Å; V50-L60 HydrophobicContact CG2-CG 3.95Å; V50-T168 HydrophobicContact CG2-CG2 3.85Å
51E93.9Very high92.9Very high114 Ų11455.3 Ų55.353%0.53330%0.297SS..EExtended strand (participates in β ladder)trans-106.2113172.4-172168-169.500108.2E53 P54 G55 R57E51-E53 WeakPolarHBondContact CG-O 3.48Å; E51-P54 WeakPolarHBondContact OE1-CA 3.46Å; E51-G55 PolarHBondContact OE1-N 3.39Å; E51-R57 HydrophobicContact CB-CG 4.16Å; E51-R57 HydrophobicContact CG-CG 4.18Å
52I93.6Very high93.6Very high7 Ų750.2 Ų50.24%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-88.7-23.5-175.255.1170.3000112.8V50 K56 I58 T168 R169 F172V50-I52 HydrophobicContact CG2-CG2 4.35Å; I52-K56 HydrophobicContact CG1-CB 4.04Å; I52-K56 WeakPolarHBondContact CG1-O 3.24Å; I52-K56 PolarHBondContact N-O 2.86Å; I52-I58 HydrophobicContact CD1-CD1 4.43Å; I52-I58 HydrophobicContact CD1-CG1 3.95Å; I52-I58 HydrophobicContact CG1-CG1 4.23Å; I52-I58 HydrophobicContact CG2-CG1 4.48Å; I52-T168 HydrophobicContact CG2-CG2 3.61Å; I52-R169 PolarHBondContact O-NH2 2.8Å; I52-F172 HydrophobicContact CD1-CB 3.71Å; I52-F172 HydrophobicContact CD1-CD1 3.57Å; I52-F172 HydrophobicContact CD1-CD2 3.83Å; I52-F172 HydrophobicContact CD1-CE1 4.1Å; I52-F172 HydrophobicContact CD1-CE2 4.33Å; I52-F172 HydrophobicContact CD1-CG 3.4Å; I52-F172 VanDerWaalsContact CD1-CG 3.4Å; I52-F172 HydrophobicContact CD1-CZ 4.46Å
53E90.3Very high94.4Very high64 Ų6451.7 Ų51.730%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-154.3159.1175.5-62.9173.3-150.900107.9E51 G55 K56E51-E53 WeakPolarHBondContact CG-O 3.48Å; E53-G55 PolarHBondContact O-N 3.27Å; E53-G55 VanDerWaalsContact O-N 3.13Å; E53-K56 HydrophobicContact CB-CB 4.11Å; E53-K56 HydrophobicContact CB-CD 4.05Å; E53-K56 HydrophobicContact CB-CG 4.16Å; E53-K56 HydrophobicContact CG-CD 4.44Å; E53-K56 PolarHBondContact O-N 3.24Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 WeakPolarHBondContact OE2-CD 3.48Å; E53-K56 WeakPolarHBondContact OE2-CE 3.43Å; E53-K56 IonicContact OE2-NZ 3.08Å; E53-K56 PolarHBondContact OE2-NZ 3.09Å
54P90.8Very high94.7Very high127 Ų12750.5 Ų50.583%0.82526%0.262SS*.THydrogen-bonded Turntrans-50.8120.3178.6-27.935.7000112.9E51 K56E51-P54 WeakPolarHBondContact OE1-CA 3.46Å; P54-K56 PolarHBondContact O-N 3.32Å
55G87.3Confident94.7Very high61 Ų6147.3 Ų47.363%0.62924%0.244SC*.THydrogen-bonded Turntrans78.9-8-177.900000115.2E51 E53 R57E51-G55 PolarHBondContact OE1-N 3.39Å; E53-G55 PolarHBondContact O-N 3.27Å; E53-G55 VanDerWaalsContact O-N 3.13Å; G55-R57 PolarHBondContact O-N 3.47Å
56K91.6Very high94.4Very high70 Ų7042.8 Ų42.830%0.30423%0.225SC..EExtended strand (participates in β ladder)trans-99.388.2-179.6-59.6-166.5-172.9163.30110.9L6 I52 E53 P54 F172L6-K56 HydrophobicContact CD1-CB 3.83Å; L6-K56 HydrophobicContact CD1-CD 4.26Å; L6-K56 HydrophobicContact CD1-CG 3.89Å; I52-K56 HydrophobicContact CG1-CB 4.04Å; I52-K56 WeakPolarHBondContact CG1-O 3.24Å; I52-K56 PolarHBondContact N-O 2.86Å; E53-K56 HydrophobicContact CB-CB 4.11Å; E53-K56 HydrophobicContact CB-CD 4.05Å; E53-K56 HydrophobicContact CB-CG 4.16Å; E53-K56 HydrophobicContact CG-CD 4.44Å; E53-K56 PolarHBondContact O-N 3.24Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 WeakPolarHBondContact OE2-CD 3.48Å; E53-K56 WeakPolarHBondContact OE2-CE 3.43Å; E53-K56 IonicContact OE2-NZ 3.08Å; E53-K56 PolarHBondContact OE2-NZ 3.09Å; P54-K56 PolarHBondContact O-N 3.32Å; K56-F172 HydrophobicContact CD-CE1 4.36Å; K56-F172 HydrophobicContact CD-CZ 4.02Å
57R95.3Very high93.5Very high108 Ų10842 Ų4241%0.40822%0.223SC..EExtended strand (participates in β ladder)trans-93.2139.4177.4-64.6-177.5-65.8-163.2-5.2111.9I4 W5 L6 V50 E51 G55I4-R57 VanDerWaalsContact O-CZ 3.29Å; I4-R57 PolarHBondContact O-NE 2.96Å; I4-R57 PolarHBondContact O-NH2 3.4Å; W5-R57 CarbonylContact C-O 3.6Å; W5-R57 VanDerWaalsContact CA-O 3.27Å; W5-R57 WeakPolarHBondContact CA-O 3.03Å; W5-R57 HydrophobicContact CB-CB 4.34Å; W5-R57 WeakPolarHBondContact CB-O 3.29Å; L6-R57 PolarHBondContact N-O 2.89Å; V50-R57 CarbonylContact O-C 3.49Å; V50-R57 VanDerWaalsContact O-CA 3.28Å; V50-R57 WeakPolarHBondContact O-CA 3.17Å; E51-R57 HydrophobicContact CB-CG 4.16Å; E51-R57 HydrophobicContact CG-CG 4.18Å; G55-R57 PolarHBondContact O-N 3.47Å
58I97.2Very high92.7Very high0 Ų041.9 Ų41.90%022%0.217CC..EExtended strand (participates in β ladder)trans-126135.4176.2-53.7-65000108.4L6 Y7 F9 V50 I52 L60 T168 F172L6-I58 HydrophobicContact CB-CD1 4.06Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; F9-I58 HydrophobicContact CD1-CG2 4.48Å; F9-I58 HydrophobicContact CD2-CG2 3.55Å; F9-I58 HydrophobicContact CE2-CG2 3.68Å; F9-I58 HydrophobicContact CG-CG2 3.97Å; F9-I58 HydrophobicContact CZ-CD1 4.44Å; F9-I58 HydrophobicContact CZ-CG2 4.2Å; V50-I58 HydrophobicContact CG2-CB 4.08Å; V50-I58 PolarHBondContact N-O 2.97Å; V50-I58 PolarHBondContact O-N 3.07Å; I52-I58 HydrophobicContact CD1-CD1 4.43Å; I52-I58 HydrophobicContact CD1-CG1 3.95Å; I52-I58 HydrophobicContact CG1-CG1 4.23Å; I52-I58 HydrophobicContact CG2-CG1 4.48Å; I58-L60 HydrophobicContact CG2-CD2 4.08Å; I58-T168 HydrophobicContact CB-CG2 3.84Å; I58-T168 HydrophobicContact CG1-CG2 3.94Å; I58-T168 HydrophobicContact CG2-CG2 3.81Å; I58-F172 HydrophobicContact CD1-CD2 3.94Å; I58-F172 HydrophobicContact CD1-CE2 4.42Å
59K97.4Very high91.8Very high48 Ų4844.7 Ų44.721%0.20923%0.233CC..EExtended strand (participates in β ladder)trans-90.5120173.9-173.9176.6175.9-1700109.8W5 Y7 Q8 F9 S47 L49W5-K59 HydrophobicContact CB-CB 4.43Å; W5-K59 HydrophobicContact CD2-CB 3.97Å; W5-K59 HydrophobicContact CD2-CD 4.18Å; W5-K59 HydrophobicContact CE3-CD 4.42Å; W5-K59 HydrophobicContact CG-CB 3.86Å; W5-K59 HydrophobicContact CH2-CD 4.1Å; W5-K59 HydrophobicContact CZ2-CD 3.79Å; W5-K59 HydrophobicContact CZ3-CD 4.4Å; Y7-K59 PolarHBondContact O-N 3.11Å; Q8-K59 CarbonylContact C-O 3.56Å; Q8-K59 WeakPolarHBondContact CA-O 3.29Å; Q8-K59 HydrophobicContact CB-CB 4.22Å; Q8-K59 HydrophobicContact CG-CB 4.15Å; Q8-K59 HydrophobicContact CG-CD 4.29Å; Q8-K59 HydrophobicContact CG-CG 4.22Å; F9-K59 PolarHBondContact N-O 2.9Å; S47-K59 WeakPolarHBondContact OG-CE 3.17Å; L49-K59 HydrophobicContact CD2-CB 3.74Å; L49-K59 HydrophobicContact CD2-CG 4.24Å
60L98.3Very high90.9Very high0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-95.3128.7174.2-55.7-177.4000109.7F9 L11 F28 S47 R48 V50 I58 I62 F164 T168F9-L60 HydrophobicContact CB-CD2 4.09Å; F9-L60 HydrophobicContact CD2-CD2 4.28Å; L11-L60 HydrophobicContact CD1-CB 4.44Å; L11-L60 HydrophobicContact CD1-CD1 4Å; L11-L60 HydrophobicContact CD1-CD2 4.02Å; L11-L60 HydrophobicContact CD1-CG 4.38Å; L11-L60 HydrophobicContact CG-CD2 4.42Å; F28-L60 HydrophobicContact CE1-CD1 4.09Å; F28-L60 HydrophobicContact CZ-CD1 4.03Å; S47-L60 VanDerWaalsContact CA-O 3.23Å; S47-L60 WeakPolarHBondContact CA-O 3.44Å; S47-L60 PolarHBondContact OG-O 3.13Å; R48-L60 PolarHBondContact N-O 2.94Å; R48-L60 PolarHBondContact O-N 3.02Å; V50-L60 HydrophobicContact CG1-CD1 3.78Å; V50-L60 HydrophobicContact CG1-CG 4.39Å; V50-L60 HydrophobicContact CG2-CD1 3.91Å; V50-L60 HydrophobicContact CG2-CD2 4.36Å; V50-L60 HydrophobicContact CG2-CG 3.95Å; I58-L60 HydrophobicContact CG2-CD2 4.08Å; L60-I62 HydrophobicContact CB-CD1 4.34Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; L60-F164 HydrophobicContact CD1-CB 4.45Å; L60-T168 HydrophobicContact CD2-CG2 4.01Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.21Å
61Q97.9Very high90.1Very high25 Ų2551.2 Ų51.212%0.11725%0.252CS..EExtended strand (participates in β ladder)trans-104.8118.4164.7-75.6-162.5-39.400107.2Q8 F9 R10 L11 F45Q8-Q61 HydrophobicContact CG-CG 4.01Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.26Å; F9-Q61 PolarHBondContact O-N 3.22Å; R10-Q61 CarbonylContact C-O 3.52Å; R10-Q61 WeakPolarHBondContact CA-O 3.24Å; R10-Q61 HydrophobicContact CG-CB 3.89Å; L11-Q61 PolarHBondContact N-O 2.75Å; F45-Q61 HydrophobicContact CE2-CB 3.8Å; F45-Q61 HydrophobicContact CE2-CG 3.88Å; F45-Q61 HydrophobicContact CZ-CB 4.32Å; F45-Q61 HydrophobicContact CZ-CG 3.91Å
62I98.3Very high89.4Confident0 Ų048.1 Ų48.10%024%0.236CC..EExtended strand (participates in β ladder)trans-119.7121.4-168.6-47.8171.5000108.5L11 V13 I25 F28 T29 F46 L60 F164L11-I62 WeakPolarHBondContact O-CA 3.24Å; V13-I62 HydrophobicContact CG2-CG2 3.8Å; I25-I62 HydrophobicContact CD1-CG2 4.1Å; I25-I62 HydrophobicContact CG1-CG2 4.08Å; I25-I62 HydrophobicContact CG2-CG2 4.18Å; F28-I62 HydrophobicContact CD1-CD1 3.73Å; F28-I62 HydrophobicContact CE1-CD1 3.65Å; T29-I62 HydrophobicContact CG2-CD1 4.08Å; F46-I62 HydrophobicContact CB-CB 4.35Å; F46-I62 PolarHBondContact N-O 3.03Å; F46-I62 PolarHBondContact O-N 2.97Å; L60-I62 HydrophobicContact CB-CD1 4.34Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; I62-F164 HydrophobicContact CD1-CD1 4.25Å; I62-F164 HydrophobicContact CD1-CE1 3.95Å; I62-F164 HydrophobicContact CG2-CE1 4.31Å
63W96.4Very high88.8Confident40 Ų4052 Ų5215%0.15226%0.263CS..EExtended strand (participates in β ladder)trans-96111.5174.7-65.7126.3000110.2L11 I12 V13 V43 F45 Y78L11-W63 PolarHBondContact O-N 3.3Å; I12-W63 HydrophobicContact CG1-CB 4.29Å; V13-W63 PolarHBondContact N-O 2.79Å; V43-W63 HydrophobicContact CG1-CB 4.07Å; V43-W63 HydrophobicContact CG1-CD2 4.25Å; V43-W63 HydrophobicContact CG1-CE3 3.68Å; V43-W63 HydrophobicContact CG1-CG 4.41Å; V43-W63 HydrophobicContact CG1-CZ3 4.42Å; F45-W63 HydrophobicContact CB-CE3 3.95Å; F45-W63 HydrophobicContact CB-CH2 3.78Å; F45-W63 HydrophobicContact CB-CZ3 3.24Å; F45-W63 HydrophobicContact CD2-CD2 4.15Å; F45-W63 AromaticContact CD2-CE3 3.75Å; F45-W63 HydrophobicContact CD2-CE3 3.75Å; F45-W63 AromaticContact CD2-CH2 3.2Å; F45-W63 HydrophobicContact CD2-CH2 3.2Å; F45-W63 AromaticContact CD2-CZ2 3.62Å; F45-W63 HydrophobicContact CD2-CZ2 3.62Å; F45-W63 AromaticContact CD2-CZ3 3.33Å; F45-W63 HydrophobicContact CD2-CZ3 3.33Å; F45-W63 AromaticContact CE2-CH2 4Å; F45-W63 HydrophobicContact CE2-CH2 4Å; F45-W63 HydrophobicContact CE2-CZ2 4.03Å; F45-W63 HydrophobicContact CE2-CZ3 4.47Å; F45-W63 HydrophobicContact CG-CE3 4.32Å; F45-W63 AromaticContact CG-CH2 3.68Å; F45-W63 HydrophobicContact CG-CH2 3.68Å; F45-W63 AromaticContact CG-CZ3 3.63Å; F45-W63 HydrophobicContact CG-CZ3 3.63Å; W63-Y78 AromaticContact CD1-CD1 3.92Å; W63-Y78 AromaticContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CE1 4.13Å; W63-Y78 HydrophobicContact CE3-CE1 4.27Å; W63-Y78 AromaticContact CG-CD1 3.9Å; W63-Y78 HydrophobicContact CG-CD1 3.9Å; W63-Y78 HydrophobicContact CZ3-CE1 4.48Å
64D94.6Very high88.3Confident0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-82.3122168.7-174.926.8000109S22 I25 T40 V43 D44 F46S22-D64 WeakPolarHBondContact CA-OD2 3.42Å; S22-D64 WeakPolarHBondContact CB-OD2 3.22Å; S22-D64 PolarHBondContact OG-OD1 3.39Å; S22-D64 PolarHBondContact OG-OD2 3.07Å; I25-D64 HydrophobicContact CD1-CB 3.4Å; T40-D64 PolarHBondContact OG1-OD2 3.15Å; V43-D64 CarbonylContact C-O 3.48Å; V43-D64 WeakPolarHBondContact CA-O 3.49Å; V43-D64 WeakPolarHBondContact CG1-O 3.45Å; D44-D64 HydrophobicContact CB-CB 4.18Å; D44-D64 PolarHBondContact N-O 3.21Å; D44-D64 PolarHBondContact O-N 3.45Å; F46-D64 HydrophobicContact CD2-CB 4.32Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
65T91.8Very high87.9Confident0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-110.7146.4-175.177.30000111.5I12 V13 I14 K21 V43 G67 T75I12-T65 HydrophobicContact CD1-CG2 3.84Å; I12-T65 HydrophobicContact CG1-CG2 3.55Å; V13-T65 PolarHBondContact O-OG1 2.71Å; I14-T65 HydrophobicContact CG2-CG2 4.36Å; K21-T65 WeakPolarHBondContact CE-O 3.4Å; V43-T65 HydrophobicContact CG2-CG2 4.26Å; T65-G67 PolarHBondContact O-N 3.21Å; T65-T75 HydrophobicContact CG2-CG2 4.01Å
66A86.9Confident87.8Confident1 Ų148.4 Ų48.41%0.00822%0.216CC..  trans-58.3134.2167.200000111.1T40 G42 F71T40-A66 VanDerWaalsContact O-CB 3.25Å; T40-A66 WeakPolarHBondContact O-CB 3.42Å; G42-A66 WeakPolarHBondContact O-CB 3.27Å; G42-A66 PolarHBondContact O-N 3.3Å; A66-F71 HydrophobicContact CB-CB 3.64Å; A66-F71 HydrophobicContact CB-CD2 3.7Å; A66-F71 HydrophobicContact CB-CG 3.97Å
67G77.8Confident87.5Confident8 Ų848.3 Ų48.38%0.08223%0.228CC..  trans-93.91.8176.200000114.1G15 S17 T65G15-G67 VanDerWaalsContact O-CA 3.31Å; G15-G67 WeakPolarHBondContact O-CA 3.43Å; S17-G67 PolarHBondContact N-O 3.45Å; T65-G67 PolarHBondContact O-N 3.21Å
68Q80.1Confident87.2Confident56 Ų5646.6 Ų46.626%0.26222%0.223SC..SBendtrans-84.6136.9178.2-55.5178.933.500109.9R70 F71Q68-R70 HydrophobicContact CB-CG 3.99Å; Q68-R70 PolarHBondContact O-N 3.14Å; Q68-R70 VanDerWaalsContact O-N 3.17Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.46Å; Q68-F71 PolarHBondContact O-N 3.38Å
69E76.2Confident86.9Confident130 Ų13046.6 Ų46.661%0.60722%0.223SC*.G310 helixtrans-53.9-40-176.6-58.4173.8-162.200112.7F71 R72E69-F71 PolarHBondContact O-N 3.09Å; E69-R72 WeakPolarHBondContact O-CB 3.3Å; E69-R72 PolarHBondContact O-N 3.18Å
70R77.3Confident86.6Confident190 Ų19051.8 Ų51.872%0.71724%0.241SC*.G310 helixtrans-57.7-17176.661.1-178.8-85.1179-3.9115Q68Q68-R70 HydrophobicContact CB-CG 3.99Å; Q68-R70 PolarHBondContact O-N 3.14Å; Q68-R70 VanDerWaalsContact O-N 3.17Å
71F79.7Confident86.3Confident26 Ų2653.8 Ų53.811%0.11425%0.252CS..G310 helixtrans-108.72.7178.5-60.6-58.1000113.3V41 A66 Q68 E69 S73 I74 T75V41-F71 HydrophobicContact CG1-CE1 4.23Å; V41-F71 HydrophobicContact CG1-CZ 4.02Å; A66-F71 HydrophobicContact CB-CB 3.64Å; A66-F71 HydrophobicContact CB-CD2 3.7Å; A66-F71 HydrophobicContact CB-CG 3.97Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.46Å; Q68-F71 PolarHBondContact O-N 3.38Å; E69-F71 PolarHBondContact O-N 3.09Å; F71-S73 PolarHBondContact O-N 3.02Å; F71-I74 HydrophobicContact CD1-CD1 4.04Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 PolarHBondContact O-N 2.82Å; F71-T75 PolarHBondContact O-N 3.33Å
72R79.4Confident86.2Confident50 Ų5052.7 Ų52.719%0.18925%0.247CC..Hα-helixtrans-56.7-33.9-179.2-86.1-174.1169.4164.9-1.4113.6E69 I74 T75 R76 W103 E106E69-R72 WeakPolarHBondContact O-CB 3.3Å; E69-R72 PolarHBondContact O-N 3.18Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 2.71Å; R72-T75 PolarHBondContact O-N 2.93Å; R72-R76 WeakPolarHBondContact O-CG 3.43Å; R72-R76 PolarHBondContact O-N 2.94Å; R72-W103 HydrophobicContact CG-CH2 4.15Å; R72-W103 HydrophobicContact CG-CZ3 4.46Å; R72-E106 VanDerWaalsContact CD-OE1 3.23Å; R72-E106 WeakPolarHBondContact CD-OE1 3.25Å; R72-E106 IonicContact CZ-OE1 3.37Å; R72-E106 IonicContact NE-OE1 3.18Å; R72-E106 PolarHBondContact NE-OE1 2.77Å; R72-E106 VanDerWaalsContact NE-OE1 3.09Å
73S79.3Confident86.2Confident87 Ų8752.7 Ų52.761%0.60825%0.247SC*.Hα-helixtrans-60.5-34.617656.40000112.9F71F71-S73 PolarHBondContact O-N 3.02Å
74I80.5Confident86.2Confident69 Ų6950.8 Ų50.835%0.35424%0.239SC..Hα-helixtrans-71.5-46.8176-56.8176.3000109.3V43 F71 R72 R76 A77 Y78V43-I74 HydrophobicContact CG2-CG2 4.03Å; F71-I74 HydrophobicContact CD1-CD1 4.04Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 PolarHBondContact O-N 2.82Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 2.71Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3.1Å; I74-A77 WeakPolarHBondContact O-CB 3.4Å; I74-A77 PolarHBondContact O-N 3.2Å; I74-Y78 HydrophobicContact CG2-CE2 4.19Å; I74-Y78 VanDerWaalsContact O-CD2 3.26Å; I74-Y78 WeakPolarHBondContact O-CD2 3.39Å
75T83.1Confident86.4Confident0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-55.5-40.8178.6-55.30000112.4I12 I14 T65 F71 R72 A77 Y78 Y79 W103I12-T75 HydrophobicContact CD1-CG2 4.42Å; I14-T75 HydrophobicContact CG2-CG2 4.11Å; T65-T75 HydrophobicContact CG2-CG2 4.01Å; F71-T75 PolarHBondContact O-N 3.33Å; R72-T75 PolarHBondContact O-N 2.93Å; T75-A77 PolarHBondContact O-N 3.06Å; T75-A77 VanDerWaalsContact O-N 3.15Å; T75-Y78 PolarHBondContact O-N 3Å; T75-Y79 HydrophobicContact CG2-CE1 4.05Å; T75-Y79 HydrophobicContact CG2-CE2 4.44Å; T75-W103 HydrophobicContact CG2-CZ3 4.38Å
76R85.1Confident86.7Confident108 Ų10850.8 Ų50.841%0.40824%0.239SC..Hα-helixtrans-55.9-33-179.5-73.9168.2-168.5-172.10.5114.1R72 I74 Y78 Y79 E106 H110R72-R76 WeakPolarHBondContact O-CG 3.43Å; R72-R76 PolarHBondContact O-N 2.94Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3.1Å; R76-Y78 PolarHBondContact O-N 3.41Å; R76-Y79 HydrophobicContact CB-CD2 4.33Å; R76-Y79 HydrophobicContact CB-CE2 4.42Å; R76-Y79 HydrophobicContact CG-CD2 4.28Å; R76-Y79 HydrophobicContact CG-CE2 3.97Å; R76-Y79 PolarHBondContact O-N 2.96Å; R76-E106 IonicContact CZ-OE2 2.74Å; R76-E106 VanDerWaalsContact CZ-OE2 3.25Å; R76-E106 IonicContact NE-OE2 3.41Å; R76-E106 PolarHBondContact NE-OE2 2.74Å; R76-E106 IonicContact NH2-OE2 2.72Å; R76-E106 PolarHBondContact NH2-OE2 3.39Å; R76-H110 WeakPolarHBondContact CD-NE2 3.32Å
77A85.4Confident87.2Confident68 Ų6850.8 Ų50.856%0.56224%0.239SC*.Hα-helixtrans-65.2-20.1178.900000113.2I74 T75I74-A77 WeakPolarHBondContact O-CB 3.4Å; I74-A77 PolarHBondContact O-N 3.2Å; T75-A77 PolarHBondContact O-N 3.06Å; T75-A77 VanDerWaalsContact O-N 3.15Å
78Y89.4Confident88.2Confident73 Ų7350.4 Ų50.429%0.28624%0.235SC..Hα-helixtrans-96.9-13.4-175.8-65.7-95.3000113.5V43 W63 I74 T75 R76 S82V43-Y78 HydrophobicContact CB-CD2 4.43Å; V43-Y78 HydrophobicContact CB-CE1 4.38Å; V43-Y78 HydrophobicContact CB-CE2 3.95Å; V43-Y78 HydrophobicContact CG1-CD1 4.1Å; V43-Y78 HydrophobicContact CG1-CD2 4.41Å; V43-Y78 HydrophobicContact CG1-CE1 3.81Å; V43-Y78 HydrophobicContact CG1-CE2 4.18Å; V43-Y78 HydrophobicContact CG1-CG 4.39Å; V43-Y78 HydrophobicContact CG2-CD2 3.68Å; V43-Y78 HydrophobicContact CG2-CE2 3.51Å; V43-Y78 HydrophobicContact CG2-CG 4.34Å; W63-Y78 AromaticContact CD1-CD1 3.92Å; W63-Y78 AromaticContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CE1 4.13Å; W63-Y78 HydrophobicContact CE3-CE1 4.27Å; W63-Y78 AromaticContact CG-CD1 3.9Å; W63-Y78 HydrophobicContact CG-CD1 3.9Å; W63-Y78 HydrophobicContact CZ3-CE1 4.48Å; I74-Y78 HydrophobicContact CG2-CE2 4.19Å; I74-Y78 VanDerWaalsContact O-CD2 3.26Å; I74-Y78 WeakPolarHBondContact O-CD2 3.39Å; T75-Y78 PolarHBondContact O-N 3Å; R76-Y78 PolarHBondContact O-N 3.41Å; Y78-S82 PolarHBondContact O-OG 2.85Å
79Y91Very high89.1Confident0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-62.1-51.6177.6-67.4-41.3000112.4I12 I14 T75 R76 N81 S82 E106 A107 H110 I116I12-Y79 HydrophobicContact CD1-CD1 3.66Å; I12-Y79 HydrophobicContact CD1-CE1 3.81Å; I14-Y79 HydrophobicContact CD1-CE1 4.19Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; T75-Y79 HydrophobicContact CG2-CE1 4.05Å; T75-Y79 HydrophobicContact CG2-CE2 4.44Å; R76-Y79 HydrophobicContact CB-CD2 4.33Å; R76-Y79 HydrophobicContact CB-CE2 4.42Å; R76-Y79 HydrophobicContact CG-CD2 4.28Å; R76-Y79 HydrophobicContact CG-CE2 3.97Å; R76-Y79 PolarHBondContact O-N 2.96Å; Y79-N81 PolarHBondContact O-N 2.93Å; Y79-S82 PolarHBondContact O-N 2.64Å; Y79-E106 HydrophobicContact CE2-CG 4.08Å; Y79-A107 HydrophobicContact CD1-CB 4.08Å; Y79-A107 HydrophobicContact CE1-CB 3.9Å; Y79-A107 HydrophobicContact CG-CB 4.49Å; Y79-H110 HydrophobicContact CD2-CB 3.71Å; Y79-H110 HydrophobicContact CG-CB 4.39Å; Y79-I116 HydrophobicContact CD1-CD1 4.3Å
80R89.9Confident90.2Very high157 Ų15741.9 Ų41.959%0.59220%0.196SC*.THydrogen-bonded Turntrans-52.5-33.5-175.5-178175.9177.3167.30.5114W186R80-W186 PolarHBondContact O-NE1 2.87Å
81N92.4Very high91.2Very high42 Ų4232.9 Ų32.923%0.22516%0.162CC..THydrogen-bonded Turntrans-10213.2-174.6-79.2-37.9000113.8R10 Y79 E187 G188R10-N81 VanDerWaalsContact CB-O 3.23Å; R10-N81 WeakPolarHBondContact CB-O 3.39Å; R10-N81 VanDerWaalsContact CD-O 3.24Å; R10-N81 WeakPolarHBondContact CD-O 3.36Å; Y79-N81 PolarHBondContact O-N 2.93Å; N81-E187 HydrophobicContact CB-CB 4.04Å; N81-E187 PolarHBondContact OD1-N 2.93Å; N81-G188 WeakPolarHBondContact O-CA 3.42Å; N81-G188 PolarHBondContact O-N 3.25Å
82S96Very high92.1Very high2 Ų232.6 Ų32.61%0.01416%0.162CC..  trans-102.9138.2177.2-61.10000110.1Y78 Y79 I116Y78-S82 PolarHBondContact O-OG 2.85Å; Y79-S82 PolarHBondContact O-N 2.64Å; S82-I116 WeakPolarHBondContact O-CG1 3.46Å
83V97.4Very high93Very high0 Ų032.6 Ų32.60%017%0.166CC..SBendtrans-97.3-28.8171.863.90000111.6F9 R10 V117 I171 I180 W186 G188 V189F9-V83 HydrophobicContact CB-CG1 3.82Å; F9-V83 HydrophobicContact CD1-CG1 4.38Å; F9-V83 HydrophobicContact CG-CG1 4.2Å; R10-V83 WeakPolarHBondContact O-CG1 3.45Å; R10-V83 PolarHBondContact O-N 2.75Å; V83-V117 PolarHBondContact O-N 2.92Å; V83-I171 HydrophobicContact CB-CG2 4.5Å; V83-I171 HydrophobicContact CG1-CD1 4.28Å; V83-I171 HydrophobicContact CG1-CG2 4.02Å; V83-I171 HydrophobicContact CG2-CG2 3.62Å; V83-I180 HydrophobicContact CG2-CD1 3.87Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V83-W186 HydrophobicContact CB-CH2 3.97Å; V83-W186 HydrophobicContact CB-CZ2 4.11Å; V83-W186 HydrophobicContact CG2-CH2 3.85Å; V83-W186 HydrophobicContact CG2-CZ2 4.4Å; V83-G188 WeakPolarHBondContact CG1-O 3.24Å; V83-V189 HydrophobicContact CB-CG2 3.91Å; V83-V189 HydrophobicContact CG1-CG2 4.08Å; V83-V189 HydrophobicContact CG2-CG2 3.6Å
84G97.8Very high93.9Very high0 Ų032.7 Ų32.70%015%0.153CC..EExtended strand (participates in β ladder)trans-132.5156.6-17900000112.1R10 L11 I12 V117R10-G84 PolarHBondContact O-N 2.68Å; L11-G84 VanDerWaalsContact CA-O 3.28Å; L11-G84 WeakPolarHBondContact CA-O 3.42Å; I12-G84 PolarHBondContact N-O 3.48Å; G84-V117 CarbonylContact C-O 3.6Å; G84-V117 VanDerWaalsContact CA-O 3.25Å; G84-V117 WeakPolarHBondContact CA-O 3.31Å
85G97.5Very high94.8Very high0 Ų036.6 Ų36.60%016%0.163CC..EExtended strand (participates in β ladder)trans-145.3140.717800000113I12 V117 F118 L119I12-G85 CarbonylContact O-C 3.3Å; I12-G85 WeakPolarHBondContact O-CA 3.2Å; G85-V117 PolarHBondContact N-O 3.06Å; G85-F118 CarbonylContact O-C 3.54Å; G85-F118 WeakPolarHBondContact O-CA 3.36Å; G85-F118 WeakPolarHBondContact O-CD1 3.28Å; G85-L119 PolarHBondContact O-N 2.6Å
86L98.6Very high95.5Very high0 Ų036.7 Ų36.70%016%0.164CC..EExtended strand (participates in β ladder)trans-99.7119.7164.5-61.293.1000107.8I12 V13 I14 L24 L88 V121 A163 F164 L167I12-L86 PolarHBondContact O-N 2.93Å; V13-L86 WeakPolarHBondContact CA-O 3.4Å; V13-L86 HydrophobicContact CG1-CB 4.34Å; V13-L86 HydrophobicContact CG2-CB 4.41Å; V13-L86 HydrophobicContact CG2-CD1 4Å; I14-L86 PolarHBondContact N-O 2.82Å; L24-L86 HydrophobicContact CD2-CD2 4.31Å; L86-L88 HydrophobicContact CB-CD1 3.55Å; L86-V121 HydrophobicContact CB-CG2 4.23Å; L86-V121 HydrophobicContact CD2-CG2 4.05Å; L86-A163 HydrophobicContact CD2-CB 4.27Å; L86-F164 HydrophobicContact CD1-CD1 3.94Å; L86-F164 HydrophobicContact CD1-CE1 3.58Å; L86-F164 HydrophobicContact CD1-CZ 4.28Å; L86-F164 HydrophobicContact CD2-CD1 4.29Å; L86-F164 HydrophobicContact CD2-CE1 4.04Å; L86-F164 HydrophobicContact CD2-CE2 4.34Å; L86-F164 HydrophobicContact CD2-CZ 4.06Å; L86-L167 HydrophobicContact CD1-CD2 3.76Å; L86-L167 HydrophobicContact CG-CD2 3.98Å
87L98.3Very high96.1Very high0 Ų032.4 Ų32.40%015%0.148CC..EExtended strand (participates in β ladder)trans-101.3103.717717753.4000108.6I14 V100 W103 L104 F118 L119 L120 V121 M147I14-L87 HydrophobicContact CD1-CD1 4.06Å; I14-L87 HydrophobicContact CG1-CB 4.48Å; I14-L87 HydrophobicContact CG1-CD1 3.85Å; L87-V100 HydrophobicContact CD2-CG1 3.61Å; L87-V100 HydrophobicContact CG-CG1 4.11Å; L87-W103 HydrophobicContact CD1-CB 3.57Å; L87-W103 HydrophobicContact CD1-CG 4.19Å; L87-L104 HydrophobicContact CD2-CB 4.07Å; L87-F118 HydrophobicContact CB-CD1 4.14Å; L87-L119 PolarHBondContact N-O 2.98Å; L87-L120 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD2-CD1 4.37Å; L87-L120 HydrophobicContact CG-CD1 4.13Å; L87-V121 PolarHBondContact O-N 3.15Å; L87-M147 HydrophobicContact CD2-CE 4.43Å
88L98.5Very high96.7Very high1 Ų134.9 Ų34.91%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-96.7139.3-172.4-80.865.6000111.6V13 I14 G15 V19 K21 L24 L86 V121V13-L88 HydrophobicContact CG1-CD1 3.58Å; V13-L88 HydrophobicContact CG1-CD2 4.25Å; V13-L88 HydrophobicContact CG1-CG 4.49Å; I14-L88 PolarHBondContact O-N 3.39Å; G15-L88 WeakPolarHBondContact CA-O 3.32Å; V19-L88 HydrophobicContact CG2-CB 3.82Å; K21-L88 HydrophobicContact CB-CD2 4.36Å; K21-L88 HydrophobicContact CG-CB 4.32Å; K21-L88 HydrophobicContact CG-CD2 3.91Å; L24-L88 HydrophobicContact CB-CD2 4.27Å; L24-L88 HydrophobicContact CD2-CD1 4.15Å; L24-L88 HydrophobicContact CD2-CD2 3.63Å; L24-L88 HydrophobicContact CD2-CG 4.19Å; L86-L88 HydrophobicContact CB-CD1 3.55Å; L88-V121 WeakPolarHBondContact CA-O 3.22Å; L88-V121 HydrophobicContact CD1-CB 3.96Å; L88-V121 HydrophobicContact CD1-CG1 4.42Å; L88-V121 HydrophobicContact CD1-CG2 4.21Å; L88-V121 HydrophobicContact CG-CB 3.91Å; L88-V121 HydrophobicContact CG-CG1 4.05Å
89F98.8Very high97.1Very high0 Ų032.8 Ų32.80%014%0.142CC..EExtended strand (participates in β ladder)trans-128.9164.2158.169.3-88000109.5I91 F97 V100 L120 V121 H123 V133 A138 Y149F89-I91 HydrophobicContact CE2-CG2 4.03Å; F89-F97 HydrophobicContact CB-CB 4.38Å; F89-F97 AromaticContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CB 3.81Å; F89-F97 AromaticContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CG 4.27Å; F89-F97 AromaticContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CE2 4.07Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; 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 4.31Å; F89-F97 HydrophobicContact CG-CB 4.13Å; F89-F97 AromaticContact CG-CD2 3.93Å; F89-F97 HydrophobicContact CG-CD2 3.93Å; F89-F97 AromaticContact CZ-CD2 3.64Å; F89-F97 HydrophobicContact CZ-CD2 3.64Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; F89-V100 HydrophobicContact CB-CG2 3.97Å; F89-V100 HydrophobicContact CD1-CG2 4Å; F89-V100 HydrophobicContact CG-CG2 4.29Å; F89-L120 HydrophobicContact CD1-CD1 3.94Å; F89-L120 HydrophobicContact CD1-CG 4.31Å; F89-L120 HydrophobicContact CE1-CD1 4.03Å; F89-L120 HydrophobicContact CE1-CD2 4.04Å; F89-L120 HydrophobicContact CE1-CG 3.9Å; F89-V121 WeakPolarHBondContact CD1-O 3.5Å; F89-V121 PolarHBondContact N-O 3.37Å; F89-H123 WeakPolarHBondContact O-CB 3.45Å; F89-H123 PolarHBondContact O-N 3.15Å; F89-V133 HydrophobicContact CE2-CB 4Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.26Å; F89-V133 HydrophobicContact CZ-CG1 4.15Å; F89-A138 HydrophobicContact CE1-CB 4.32Å; F89-A138 HydrophobicContact CZ-CB 3.75Å; F89-Y149 HydrophobicContact CE1-CD2 4.49Å; F89-Y149 AromaticContact CE1-CE2 3.65Å; F89-Y149 HydrophobicContact CE1-CE2 3.65Å; F89-Y149 AromaticContact CZ-CE2 3.69Å; F89-Y149 HydrophobicContact CZ-CE2 3.69Å; F89-Y149 AromaticContact CZ-CZ 3.98Å; F89-Y149 WeakPolarHBondContact CZ-OH 2.82Å
90D98.6Very high97.4Very high7 Ų732.8 Ų32.84%0.03714%0.142CC..EExtended strand (participates in β ladder)trans-97.8123.5175.8174.8-2.8000109.3V19 T92 N93 S96 K124V19-D90 HydrophobicContact CB-CB 4.18Å; V19-D90 HydrophobicContact CG1-CB 4.19Å; D90-T92 PolarHBondContact O-N 3.21Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 PolarHBondContact OD1-N 2.91Å; D90-T92 PolarHBondContact OD1-OG1 2.86Å; D90-T92 PolarHBondContact OD2-OG1 2.78Å; D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 CarbonylContact O-C 3.54Å; D90-N93 PolarHBondContact O-N 2.98Å; D90-S96 PolarHBondContact N-OG 2.92Å; D90-S96 PolarHBondContact O-OG 3.2Å; D90-K124 WeakPolarHBondContact OD2-CD 3.4Å; D90-K124 VanDerWaalsContact OD2-CE 3.3Å; D90-K124 WeakPolarHBondContact OD2-CE 3.19Å; D90-K124 IonicContact OD2-NZ 2.78Å; D90-K124 PolarHBondContact OD2-NZ 3.21Å
91I98.8Very high97.7Very high0 Ų029.2 Ų29.20%013%0.132CC..THydrogen-bonded Turntrans-63.4-20.4-177.470.5155.4000113F89 N93 H123 C125 R131 Q132 V133F89-I91 HydrophobicContact CE2-CG2 4.03Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-H123 WeakPolarHBondContact CG1-O 3.16Å; I91-H123 WeakPolarHBondContact CG2-O 3.4Å; I91-H123 PolarHBondContact N-O 3.34Å; I91-C125 HydrophobicContact CD1-CB 4.34Å; I91-R131 HydrophobicContact CD1-CB 4.31Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; I91-Q132 PolarHBondContact O-N 3.19Å; I91-V133 PolarHBondContact O-N 3.43Å
92T98.6Very high97.8Very high21 Ų2131 Ų3113%0.12914%0.142CC..THydrogen-bonded Turntrans-92.45.5177.178.80000112.4D90 L127 Q130 Q132D90-T92 PolarHBondContact O-N 3.21Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 PolarHBondContact OD1-N 2.91Å; D90-T92 PolarHBondContact OD1-OG1 2.86Å; D90-T92 PolarHBondContact OD2-OG1 2.78Å; T92-L127 HydrophobicContact CG2-CB 3.56Å; T92-L127 HydrophobicContact CG2-CD1 4.02Å; T92-L127 HydrophobicContact CG2-CG 4.44Å; T92-Q130 WeakPolarHBondContact CA-O 3.47Å; T92-Q130 WeakPolarHBondContact CB-O 3.2Å; T92-Q130 HydrophobicContact CG2-CB 3.77Å; T92-Q132 PolarHBondContact O-NE2 2.93Å; T92-Q132 PolarHBondContact O-OE1 2.85Å
93N98.4Very high97.8Very high49 Ų4931.1 Ų31.126%0.26214%0.142SC..  trans-134.195.8-178.9-180-6.4000110.8D90 I91 R95 S96D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 CarbonylContact O-C 3.54Å; D90-N93 PolarHBondContact O-N 2.98Å; I91-N93 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.36Å; N93-R95 WeakPolarHBondContact OD1-CB 2.97Å; N93-R95 PolarHBondContact OD1-N 2.94Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; N93-S96 PolarHBondContact O-N 3.23Å; N93-S96 VanDerWaalsContact O-N 3.09Å; N93-S96 PolarHBondContact O-OG 3.17Å; N93-S96 PolarHBondContact OD1-N 2.88Å
94R98.3Very high97.6Very high90 Ų9031.1 Ų31.134%0.3414%0.142SC..Hα-helixtrans-52.9-38.4179.6-172.571-178.7-173.212.8113.6S96 F97 Q98 Q132 E137R94-S96 VanDerWaalsContact C-N 3.32Å; R94-S96 PolarHBondContact O-N 3.29Å; R94-F97 WeakPolarHBondContact O-CB 3.44Å; R94-F97 PolarHBondContact O-N 3.46Å; R94-Q98 WeakPolarHBondContact O-CG 3.32Å; R94-Q98 PolarHBondContact O-N 2.79Å; R94-Q98 VanDerWaalsContact O-N 3.07Å; R94-Q132 HydrophobicContact CB-CB 4.23Å; R94-Q132 PolarHBondContact NH1-O 3.48Å; R94-Q132 VanDerWaalsContact NH1-O 3.11Å; R94-E137 IonicContact CZ-OE1 2.68Å; R94-E137 IonicContact CZ-OE2 2.71Å; R94-E137 IonicContact NH1-OE1 3.48Å; R94-E137 PolarHBondContact NH1-OE1 3.32Å; R94-E137 IonicContact NH1-OE2 2.65Å; R94-E137 PolarHBondContact NH1-OE2 3.02Å; R94-E137 IonicContact NH2-OE2 3.81Å; R94-E137 PolarHBondContact NH2-OE2 3.03Å
95R98.1Very high97.4Very high151 Ų15135 Ų3557%0.5716%0.16SC*.Hα-helixtrans-63.3-40.7-178.8-177.1179.7175.1-170.1-4.9111.3N93 F97 Q98 N99N93-R95 PolarHBondContact O-N 3.36Å; N93-R95 WeakPolarHBondContact OD1-CB 2.97Å; N93-R95 PolarHBondContact OD1-N 2.94Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; R95-F97 PolarHBondContact O-N 3.05Å; R95-Q98 PolarHBondContact O-N 3.42Å; R95-Q98 VanDerWaalsContact O-N 3.15Å; R95-N99 VanDerWaalsContact O-CG 3.32Å; R95-N99 PolarHBondContact O-N 2.71Å
96S98.4Very high97.1Very high2 Ų235.7 Ų35.71%0.01416%0.163CC..Hα-helixtrans-62.5-32.6178.173.30000112.7D90 N93 R94D90-S96 PolarHBondContact N-OG 2.92Å; D90-S96 PolarHBondContact O-OG 3.2Å; N93-S96 PolarHBondContact O-N 3.23Å; N93-S96 VanDerWaalsContact O-N 3.09Å; N93-S96 PolarHBondContact O-OG 3.17Å; N93-S96 PolarHBondContact OD1-N 2.88Å; R94-S96 VanDerWaalsContact C-N 3.32Å; R94-S96 PolarHBondContact O-N 3.29Å
97F98.6Very high96.8Very high17 Ų1735.7 Ų35.78%0.07516%0.163CC..Hα-helixtrans-73.1-39.1174.1178.8-111.9000112.6F89 R94 R95 N99 V100 V133 E137 A138 L141F89-F97 HydrophobicContact CB-CB 4.38Å; F89-F97 AromaticContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CB 3.81Å; F89-F97 AromaticContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CG 4.27Å; F89-F97 AromaticContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CE2 4.07Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; 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 4.31Å; F89-F97 HydrophobicContact CG-CB 4.13Å; F89-F97 AromaticContact CG-CD2 3.93Å; F89-F97 HydrophobicContact CG-CD2 3.93Å; F89-F97 AromaticContact CZ-CD2 3.64Å; F89-F97 HydrophobicContact CZ-CD2 3.64Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; R94-F97 WeakPolarHBondContact O-CB 3.44Å; R94-F97 PolarHBondContact O-N 3.46Å; R95-F97 PolarHBondContact O-N 3.05Å; F97-N99 VanDerWaalsContact C-N 3.26Å; F97-N99 PolarHBondContact O-N 3.3Å; F97-V100 HydrophobicContact CD2-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.25Å; F97-V100 WeakPolarHBondContact O-CB 3.4Å; F97-V100 VanDerWaalsContact O-CG2 3.27Å; F97-V100 WeakPolarHBondContact O-CG2 3.42Å; F97-V100 PolarHBondContact O-N 2.74Å; F97-V133 HydrophobicContact CB-CG1 4.33Å; F97-V133 HydrophobicContact CB-CG2 3.64Å; F97-V133 HydrophobicContact CD1-CG1 3.81Å; F97-V133 HydrophobicContact CD1-CG2 4.13Å; F97-V133 HydrophobicContact CD2-CG1 3.84Å; F97-V133 HydrophobicContact CE1-CG1 3.99Å; F97-V133 HydrophobicContact CE2-CG1 4.02Å; F97-V133 HydrophobicContact CG-CB 4.5Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.92Å; F97-V133 HydrophobicContact CZ-CG1 4.08Å; F97-E137 HydrophobicContact CE1-CG 4Å; F97-E137 HydrophobicContact CZ-CG 4.05Å; F97-A138 HydrophobicContact CE2-CB 3.94Å; F97-A138 HydrophobicContact CZ-CB 4.37Å; F97-L141 HydrophobicContact CD2-CD2 4.19Å; F97-L141 HydrophobicContact CE1-CD2 4.45Å; F97-L141 HydrophobicContact CE2-CB 4.26Å; F97-L141 HydrophobicContact CE2-CD2 3.44Å; F97-L141 VanDerWaalsContact CE2-CD2 3.44Å; F97-L141 HydrophobicContact CE2-CG 4.48Å; F97-L141 HydrophobicContact CZ-CB 3.97Å; F97-L141 HydrophobicContact CZ-CD2 3.6Å; F97-L141 HydrophobicContact CZ-CG 4.37Å
98Q97.9Very high96.5Very high121 Ų12140.9 Ų40.957%0.56518%0.183SC*.Hα-helixtrans-61.5-37174.7-70.2168.9-28.700111.7R94 R95 V100R94-Q98 WeakPolarHBondContact O-CG 3.32Å; R94-Q98 PolarHBondContact O-N 2.79Å; R94-Q98 VanDerWaalsContact O-N 3.07Å; R95-Q98 PolarHBondContact O-N 3.42Å; R95-Q98 VanDerWaalsContact O-N 3.15Å; Q98-V100 PolarHBondContact O-N 3.38Å
99N97.4Very high96.1Very high28 Ų2844.4 Ų44.415%0.1521%0.207CC..THydrogen-bonded Turntrans-74.3-7.6179.4-68.6-9.3000114.1D16 R95 F97 H101 D102 W103D16-N99 PolarHBondContact OD1-ND2 3.03Å; D16-N99 PolarHBondContact OD2-ND2 3.43Å; R95-N99 VanDerWaalsContact O-CG 3.32Å; R95-N99 PolarHBondContact O-N 2.71Å; F97-N99 VanDerWaalsContact C-N 3.26Å; F97-N99 PolarHBondContact O-N 3.3Å; N99-H101 PolarHBondContact O-N 2.65Å; N99-D102 PolarHBondContact O-N 3.3Å; N99-W103 VanDerWaalsContact O-CD1 3.23Å; N99-W103 PolarHBondContact O-N 2.93Å; N99-W103 VanDerWaalsContact O-N 3.15Å
100V97.7Very high95.5Very high1 Ų147.8 Ų47.81%0.00622%0.223CC..Hα-helixtrans-56.2-39.9178.1167.90000111.3L87 F89 F97 Q98 W103 L104 L120 L141L87-V100 HydrophobicContact CD2-CG1 3.61Å; L87-V100 HydrophobicContact CG-CG1 4.11Å; F89-V100 HydrophobicContact CB-CG2 3.97Å; F89-V100 HydrophobicContact CD1-CG2 4Å; F89-V100 HydrophobicContact CG-CG2 4.29Å; F97-V100 HydrophobicContact CD2-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.25Å; F97-V100 WeakPolarHBondContact O-CB 3.4Å; F97-V100 VanDerWaalsContact O-CG2 3.27Å; F97-V100 WeakPolarHBondContact O-CG2 3.42Å; F97-V100 PolarHBondContact O-N 2.74Å; Q98-V100 PolarHBondContact O-N 3.38Å; V100-W103 PolarHBondContact O-N 3.18Å; V100-L104 WeakPolarHBondContact O-CB 3.36Å; V100-L104 PolarHBondContact O-N 3.15Å; V100-L120 HydrophobicContact CG1-CD1 3.6Å; V100-L120 HydrophobicContact CG2-CD1 4.12Å; V100-L141 HydrophobicContact CB-CD2 4.14Å; V100-L141 HydrophobicContact CG1-CD2 3.81Å
101H95.3Very high94.8Very high82 Ų8247.9 Ų47.938%0.3822%0.224SC..Hα-helixtrans-59.1-50.1177.3174.365.5000111.5N99 W103 L104 E105 Y145N99-H101 PolarHBondContact O-N 2.65Å; H101-W103 VanDerWaalsContact C-N 3.32Å; H101-W103 PolarHBondContact O-N 2.92Å; H101-L104 PolarHBondContact O-N 3.4Å; H101-L104 VanDerWaalsContact O-N 3.13Å; H101-E105 VanDerWaalsContact CE1-CG 3.42Å; H101-E105 WeakPolarHBondContact CE1-CG 3.25Å; H101-E105 PolarHBondContact O-N 3.06Å; H101-Y145 AromaticContact ND1-CZ 3.76Å; H101-Y145 PolarHBondContact ND1-OH 3.07Å
102D95.1Very high93.8Very high80 Ų8055.1 Ų55.143%0.42826%0.257SS..Hα-helixtrans-62.2-41.1-177.7-61-20.7000111.8N99 L104 E106N99-D102 PolarHBondContact O-N 3.3Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-E106 WeakPolarHBondContact O-CB 3.41Å; D102-E106 PolarHBondContact O-N 3.08Å
103W95.4Very high92.7Very high3 Ų359.1 Ų59.11%0.01128%0.284CS..Hα-helixtrans-62.9-40.9175.4-80.9108.6000112.4I14 G15 D16 R72 T75 L87 N99 V100 H101 A107I14-W103 HydrophobicContact CB-CE3 4.05Å; I14-W103 HydrophobicContact CB-CZ3 4.33Å; I14-W103 HydrophobicContact CD1-CB 4.41Å; I14-W103 HydrophobicContact CD1-CE3 4.38Å; G15-W103 VanDerWaalsContact C-CE2 3.46Å; G15-W103 VanDerWaalsContact O-CZ2 3.31Å; G15-W103 WeakPolarHBondContact O-CZ2 3.44Å; D16-W103 PolarHBondContact OD1-NE1 3.26Å; R72-W103 HydrophobicContact CG-CH2 4.15Å; R72-W103 HydrophobicContact CG-CZ3 4.46Å; T75-W103 HydrophobicContact CG2-CZ3 4.38Å; L87-W103 HydrophobicContact CD1-CB 3.57Å; L87-W103 HydrophobicContact CD1-CG 4.19Å; N99-W103 VanDerWaalsContact O-CD1 3.23Å; N99-W103 PolarHBondContact O-N 2.93Å; N99-W103 VanDerWaalsContact O-N 3.15Å; V100-W103 PolarHBondContact O-N 3.18Å; H101-W103 VanDerWaalsContact C-N 3.32Å; H101-W103 PolarHBondContact O-N 2.92Å; W103-A107 WeakPolarHBondContact O-CB 3.42Å; W103-A107 PolarHBondContact O-N 2.92Å
104L94.4Very high91.7Very high0 Ų058.1 Ų58.10%028%0.278CS..Hα-helixtrans-68.2-46179.6-177.163.4000111.8L87 V100 H101 D102 A107 R108 F118 Y145 M147L87-L104 HydrophobicContact CD2-CB 4.07Å; V100-L104 WeakPolarHBondContact O-CB 3.36Å; V100-L104 PolarHBondContact O-N 3.15Å; H101-L104 PolarHBondContact O-N 3.4Å; H101-L104 VanDerWaalsContact O-N 3.13Å; D102-L104 VanDerWaalsContact C-N 3.34Å; L104-A107 PolarHBondContact O-N 3.19Å; L104-R108 HydrophobicContact CD1-CG 4.46Å; L104-R108 WeakPolarHBondContact O-CB 3.48Å; L104-R108 WeakPolarHBondContact O-CG 3.47Å; L104-R108 PolarHBondContact O-N 3.32Å; L104-F118 HydrophobicContact CD1-CD2 3.73Å; L104-F118 HydrophobicContact CD1-CE2 4.01Å; L104-F118 HydrophobicContact CD1-CG 4.28Å; L104-Y145 HydrophobicContact CD2-CD1 3.38Å; L104-Y145 HydrophobicContact CD2-CD2 3.75Å; L104-Y145 HydrophobicContact CD2-CE1 3.81Å; L104-Y145 HydrophobicContact CD2-CE2 4.13Å; L104-Y145 HydrophobicContact CD2-CG 3.36Å; L104-M147 HydrophobicContact CD1-SD 4.25Å; L104-M147 HydrophobicContact CD2-CE 4.05Å; L104-M147 HydrophobicContact CD2-SD 4.48Å
105E93.1Very high91.2Very high81 Ų8157.8 Ų57.838%0.37929%0.289SS..Hα-helixtrans-66.1-39177.8-69.3-55.7128.600111.9H101 R108 S109H101-E105 VanDerWaalsContact CE1-CG 3.42Å; H101-E105 WeakPolarHBondContact CE1-CG 3.25Å; H101-E105 PolarHBondContact O-N 3.06Å; E105-R108 PolarHBondContact O-N 3.38Å; E105-R108 IonicContact OE1-NH1 3.03Å; E105-S109 WeakPolarHBondContact O-CB 3.42Å; E105-S109 PolarHBondContact O-N 2.92Å; E105-S109 PolarHBondContact O-OG 2.81Å
106E91.7Very high91Very high16 Ų1651.4 Ų51.48%0.07527%0.266CS..Hα-helixtrans-60.8-45.5172.7-177.9173.718.900111.4R72 R76 Y79 D102 S109 H110R72-E106 VanDerWaalsContact CD-OE1 3.23Å; R72-E106 WeakPolarHBondContact CD-OE1 3.25Å; R72-E106 IonicContact CZ-OE1 3.37Å; R72-E106 IonicContact NE-OE1 3.18Å; R72-E106 PolarHBondContact NE-OE1 2.77Å; R72-E106 VanDerWaalsContact NE-OE1 3.09Å; R76-E106 IonicContact CZ-OE2 2.74Å; R76-E106 VanDerWaalsContact CZ-OE2 3.25Å; R76-E106 IonicContact NE-OE2 3.41Å; R76-E106 PolarHBondContact NE-OE2 2.74Å; R76-E106 IonicContact NH2-OE2 2.72Å; R76-E106 PolarHBondContact NH2-OE2 3.39Å; Y79-E106 HydrophobicContact CE2-CG 4.08Å; D102-E106 WeakPolarHBondContact O-CB 3.41Å; D102-E106 PolarHBondContact O-N 3.08Å; E106-S109 PolarHBondContact O-OG 3.45Å; E106-H110 PolarHBondContact O-ND1 2.69Å
107A92.3Very high91Very high0 Ų052.5 Ų52.50%027%0.272CS..Hα-helixtrans-63-49.2176.500000111.6I14 Y79 W103 L104 S109 H110 V111 F118I14-A107 HydrophobicContact CD1-CB 4.26Å; Y79-A107 HydrophobicContact CD1-CB 4.08Å; Y79-A107 HydrophobicContact CE1-CB 3.9Å; Y79-A107 HydrophobicContact CG-CB 4.49Å; W103-A107 WeakPolarHBondContact O-CB 3.42Å; W103-A107 PolarHBondContact O-N 2.92Å; L104-A107 PolarHBondContact O-N 3.19Å; A107-S109 VanDerWaalsContact C-N 3.25Å; A107-S109 PolarHBondContact O-N 3.32Å; A107-H110 PolarHBondContact O-N 2.97Å; A107-V111 VanDerWaalsContact O-CG1 3.24Å; A107-V111 WeakPolarHBondContact O-CG1 3.49Å; A107-V111 PolarHBondContact O-N 2.77Å; A107-F118 HydrophobicContact CB-CE2 3.93Å; A107-F118 HydrophobicContact CB-CZ 3.61Å
108R90.8Very high90.9Very high109 Ų10952.5 Ų52.541%0.41127%0.272SS..Hα-helixtrans-59.4-32.8-178-76.5176.3172.8-175.3-4113.4L104 E105 H110 V111 Y145L104-R108 HydrophobicContact CD1-CG 4.46Å; L104-R108 WeakPolarHBondContact O-CB 3.48Å; L104-R108 WeakPolarHBondContact O-CG 3.47Å; L104-R108 PolarHBondContact O-N 3.32Å; E105-R108 PolarHBondContact O-N 3.38Å; E105-R108 IonicContact OE1-NH1 3.03Å; R108-H110 VanDerWaalsContact C-N 3.28Å; R108-H110 PolarHBondContact O-N 3.44Å; R108-V111 WeakPolarHBondContact O-CG2 3.48Å; R108-Y145 PolarHBondContact NH2-O 2.96Å
109S89.9Confident91Very high74 Ų7446.8 Ų46.852%0.51725%0.246SC..Hα-helixtrans-73.7-14.1177.251.80000114.6E105 E106 A107E105-S109 WeakPolarHBondContact O-CB 3.42Å; E105-S109 PolarHBondContact O-N 2.92Å; E105-S109 PolarHBondContact O-OG 2.81Å; E106-S109 PolarHBondContact O-OG 3.45Å; A107-S109 VanDerWaalsContact C-N 3.25Å; A107-S109 PolarHBondContact O-N 3.32Å
110H86.4Confident91Very high71 Ų7145.5 Ų45.533%0.32924%0.239SC..Hα-helixtrans-118.13-172.8-67.980.7000114.5R76 Y79 E106 A107 R108R76-H110 WeakPolarHBondContact CD-NE2 3.32Å; Y79-H110 HydrophobicContact CD2-CB 3.71Å; Y79-H110 HydrophobicContact CG-CB 4.39Å; E106-H110 PolarHBondContact O-ND1 2.69Å; A107-H110 PolarHBondContact O-N 2.97Å; R108-H110 VanDerWaalsContact C-N 3.28Å; R108-H110 PolarHBondContact O-N 3.44Å
111V84.9Confident91.1Very high9 Ų945.4 Ų45.46%0.05524%0.238CC..SBendtrans-96.1-7.7-175.4-69.80000114.5A107 R108 H114 I116A107-V111 VanDerWaalsContact O-CG1 3.24Å; A107-V111 WeakPolarHBondContact O-CG1 3.49Å; A107-V111 PolarHBondContact O-N 2.77Å; R108-V111 WeakPolarHBondContact O-CG2 3.48Å; V111-H114 CarbonylContact C-O 3.47Å; V111-H114 VanDerWaalsContact C-O 3.3Å; V111-H114 VanDerWaalsContact CB-O 3.31Å; V111-H114 WeakPolarHBondContact CB-O 3.33Å; V111-H114 WeakPolarHBondContact CG2-O 3.44Å; V111-H114 CarbonylContact O-C 3.5Å; V111-H114 WeakPolarHBondContact O-CA 3.24Å; V111-H114 PolarHBondContact O-N 3.22Å; V111-I116 HydrophobicContact CB-CG1 4.45Å; V111-I116 HydrophobicContact CG1-CD1 3.32Å; V111-I116 HydrophobicContact CG1-CG1 3.54Å
112Q76.4Confident91.2Very high152 Ų15241.5 Ų41.571%0.7122%0.22SC*.THydrogen-bonded Turntrans-56.2137.4-175.5-65-1731000112.4
113P75.4Confident91.4Very high105 Ų10538 Ų3868%0.68220%0.201SC*.THydrogen-bonded Turncis-85.40.86.735.3-36.8000115.4
114H78.8Confident91.6Very high29 Ų2940 Ų4013%0.13421%0.21CC..  trans-94166.3-174-51.590.6000112.2V111 Q183 W186V111-H114 CarbonylContact C-O 3.47Å; V111-H114 VanDerWaalsContact C-O 3.3Å; V111-H114 VanDerWaalsContact CB-O 3.31Å; V111-H114 WeakPolarHBondContact CB-O 3.33Å; V111-H114 WeakPolarHBondContact CG2-O 3.44Å; V111-H114 CarbonylContact O-C 3.5Å; V111-H114 WeakPolarHBondContact O-CA 3.24Å; V111-H114 PolarHBondContact O-N 3.22Å; H114-Q183 VanDerWaalsContact NE2-CD 3.26Å; H114-Q183 PolarHBondContact NE2-OE1 2.69Å; H114-W186 HydrophobicContact CB-CZ2 3.9Å; H114-W186 AromaticContact CD2-CD2 3.67Å; H114-W186 AromaticContact CD2-CE2 3.71Å; H114-W186 AromaticContact CD2-CE3 3.89Å; H114-W186 AromaticContact CD2-CZ2 3.97Å; H114-W186 AromaticContact CE1-CD1 3.63Å; H114-W186 AromaticContact CE1-CD2 3.91Å; H114-W186 AromaticContact CE1-CG 3.54Å; H114-W186 AromaticContact CG-CD2 3.96Å; H114-W186 AromaticContact CG-CE2 3.58Å; H114-W186 AromaticContact CG-CZ2 3.89Å; H114-W186 AromaticContact CG-NE1 3.68Å; H114-W186 AromaticContact ND1-CD1 3.59Å; H114-W186 AromaticContact ND1-CE2 3.93Å; H114-W186 AromaticContact ND1-CG 3.92Å; H114-W186 AromaticContact ND1-NE1 3.59Å; H114-W186 AromaticContact NE2-CD2 3.64Å; H114-W186 AromaticContact NE2-CE3 3.94Å; H114-W186 AromaticContact NE2-CG 3.69Å
115S87Confident91.8Very high82 Ų8240.8 Ų40.857%0.57322%0.215SC*.  trans-115.8144.6169.460.50000110.3
116I94.2Very high92Very high18 Ų1838.2 Ų38.29%0.09220%0.204CC..  trans-91.3131171.6-66.2173.2000108.4I12 Y79 S82 V111 F118I12-I116 HydrophobicContact CG2-CD1 4.33Å; Y79-I116 HydrophobicContact CD1-CD1 4.3Å; S82-I116 WeakPolarHBondContact O-CG1 3.46Å; V111-I116 HydrophobicContact CB-CG1 4.45Å; V111-I116 HydrophobicContact CG1-CD1 3.32Å; V111-I116 HydrophobicContact CG1-CG1 3.54Å; I116-F118 HydrophobicContact CB-CD2 4Å; I116-F118 HydrophobicContact CB-CE2 3.54Å; I116-F118 HydrophobicContact CB-CZ 3.95Å; I116-F118 HydrophobicContact CD1-CE2 4.28Å; I116-F118 HydrophobicContact CD1-CZ 3.98Å; I116-F118 HydrophobicContact CG1-CE2 4.49Å; I116-F118 HydrophobicContact CG2-CD1 4.15Å; I116-F118 HydrophobicContact CG2-CD2 3.76Å; I116-F118 HydrophobicContact CG2-CE1 3.9Å; I116-F118 HydrophobicContact CG2-CE2 3.51Å; I116-F118 HydrophobicContact CG2-CG 4.07Å; I116-F118 HydrophobicContact CG2-CZ 3.57Å; I116-F118 PolarHBondContact O-N 3.22Å
117V97.1Very high92.3Very high24 Ų2439.4 Ų39.415%0.14521%0.211CC..EExtended strand (participates in β ladder)trans-77.3113.3168.1-175.50000108.4V83 G84 G85 L167 D170 I171 L174 I180V83-V117 PolarHBondContact O-N 2.92Å; G84-V117 CarbonylContact C-O 3.6Å; G84-V117 VanDerWaalsContact CA-O 3.25Å; G84-V117 WeakPolarHBondContact CA-O 3.31Å; G85-V117 PolarHBondContact N-O 3.06Å; V117-L167 HydrophobicContact CB-CD1 4.29Å; V117-L167 HydrophobicContact CG1-CD1 3.91Å; V117-L167 WeakPolarHBondContact O-CD1 3.45Å; V117-D170 HydrophobicContact CG1-CB 4.28Å; V117-I171 HydrophobicContact CB-CG1 3.93Å; V117-I171 HydrophobicContact CG1-CG1 4.27Å; V117-I171 HydrophobicContact CG2-CG1 4.04Å; V117-L174 HydrophobicContact CG1-CD1 4.49Å; V117-L174 HydrophobicContact CG2-CD1 3.54Å; V117-I180 HydrophobicContact CG2-CD1 3.79Å
118F97.9Very high92.5Very high18 Ų1844.1 Ų44.18%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-102.4139.2-178-80.4-75.7000113.1I14 G85 L87 L104 A107 I116 M147I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.92Å; I14-F118 HydrophobicContact CG1-CE1 4.11Å; G85-F118 CarbonylContact O-C 3.54Å; G85-F118 WeakPolarHBondContact O-CA 3.36Å; G85-F118 WeakPolarHBondContact O-CD1 3.28Å; L87-F118 HydrophobicContact CB-CD1 4.14Å; L104-F118 HydrophobicContact CD1-CD2 3.73Å; L104-F118 HydrophobicContact CD1-CE2 4.01Å; L104-F118 HydrophobicContact CD1-CG 4.28Å; A107-F118 HydrophobicContact CB-CE2 3.93Å; A107-F118 HydrophobicContact CB-CZ 3.61Å; I116-F118 HydrophobicContact CB-CD2 4Å; I116-F118 HydrophobicContact CB-CE2 3.54Å; I116-F118 HydrophobicContact CB-CZ 3.95Å; I116-F118 HydrophobicContact CD1-CE2 4.28Å; I116-F118 HydrophobicContact CD1-CZ 3.98Å; I116-F118 HydrophobicContact CG1-CE2 4.49Å; I116-F118 HydrophobicContact CG2-CD1 4.15Å; I116-F118 HydrophobicContact CG2-CD2 3.76Å; I116-F118 HydrophobicContact CG2-CE1 3.9Å; I116-F118 HydrophobicContact CG2-CE2 3.51Å; I116-F118 HydrophobicContact CG2-CG 4.07Å; I116-F118 HydrophobicContact CG2-CZ 3.57Å; I116-F118 PolarHBondContact O-N 3.22Å; F118-M147 HydrophobicContact CB-CG 4.01Å; F118-M147 HydrophobicContact CB-SD 3.39Å; F118-M147 WeakPolarHBondContact CB-SD 3.21Å; F118-M147 HydrophobicContact CG-SD 4.36Å
119L98.6Very high92.9Very high1 Ų145.2 Ų45.21%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-108.2124.9163.3-177.770.5000108.9G85 L87 V121 R148 V150 A163 L167G85-L119 PolarHBondContact O-N 2.6Å; L87-L119 PolarHBondContact N-O 2.98Å; L119-V121 HydrophobicContact CD2-CG2 4.14Å; L119-V121 HydrophobicContact CG-CG2 4.17Å; L119-R148 HydrophobicContact CD1-CB 3.6Å; L119-V150 HydrophobicContact CD1-CG2 4.1Å; L119-V150 HydrophobicContact CD2-CG2 4.19Å; L119-A163 HydrophobicContact CD2-CB 3.89Å; L119-A163 VanDerWaalsContact CD2-O 3.29Å; L119-A163 WeakPolarHBondContact CD2-O 3.31Å; L119-L167 HydrophobicContact CB-CB 4.44Å; L119-L167 HydrophobicContact CB-CD1 4.42Å; L119-L167 HydrophobicContact CD2-CB 4.46Å
120L98.8Very high93.3Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-78.9130.7172.1-174.668000109.3L87 F89 V100 A142 M147 R148 Y149 V150L87-L120 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD2-CD1 4.37Å; L87-L120 HydrophobicContact CG-CD1 4.13Å; F89-L120 HydrophobicContact CD1-CD1 3.94Å; F89-L120 HydrophobicContact CD1-CG 4.31Å; F89-L120 HydrophobicContact CE1-CD1 4.03Å; F89-L120 HydrophobicContact CE1-CD2 4.04Å; F89-L120 HydrophobicContact CE1-CG 3.9Å; V100-L120 HydrophobicContact CG1-CD1 3.6Å; V100-L120 HydrophobicContact CG2-CD1 4.12Å; L120-A142 HydrophobicContact CB-CB 4.17Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; L120-M147 HydrophobicContact CB-CE 4.29Å; L120-R148 WeakPolarHBondContact CB-O 3.47Å; L120-R148 PolarHBondContact N-O 3.34Å; L120-Y149 HydrophobicContact CB-CD2 4.03Å; L120-Y149 HydrophobicContact CD2-CD2 3.8Å; L120-Y149 HydrophobicContact CD2-CE2 4.31Å; L120-Y149 HydrophobicContact CG-CD2 3.79Å; L120-Y149 HydrophobicContact CG-CE2 4.28Å; L120-Y149 WeakPolarHBondContact O-CA 3.48Å; L120-Y149 WeakPolarHBondContact O-CD2 3.16Å; L120-V150 PolarHBondContact O-N 2.92Å
121V98.9Very high93.9Very high0 Ų046.6 Ų46.60%025%0.25CC..EExtended strand (participates in β ladder)trans-124.9116.3-176.3-178.50000110.9L24 L86 L87 L88 F89 L119 V150 T152L24-V121 HydrophobicContact CD2-CG1 4.34Å; L86-V121 HydrophobicContact CB-CG2 4.23Å; L86-V121 HydrophobicContact CD2-CG2 4.05Å; L87-V121 PolarHBondContact O-N 3.15Å; L88-V121 WeakPolarHBondContact CA-O 3.22Å; L88-V121 HydrophobicContact CD1-CB 3.96Å; L88-V121 HydrophobicContact CD1-CG1 4.42Å; L88-V121 HydrophobicContact CD1-CG2 4.21Å; L88-V121 HydrophobicContact CG-CB 3.91Å; L88-V121 HydrophobicContact CG-CG1 4.05Å; F89-V121 WeakPolarHBondContact CD1-O 3.5Å; F89-V121 PolarHBondContact N-O 3.37Å; L119-V121 HydrophobicContact CD2-CG2 4.14Å; L119-V121 HydrophobicContact CG-CG2 4.17Å; V121-V150 CarbonylContact C-O 3.3Å; V121-V150 VanDerWaalsContact CA-O 3.3Å; V121-V150 WeakPolarHBondContact CA-O 3.31Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.23Å
122G98.8Very high94.5Very high0 Ų051.1 Ų51.10%027%0.27CS..EExtended strand (participates in β ladder)trans-86.3104.2167.900000109.5Y149 V150 E151 T152G122-Y149 VanDerWaalsContact N-CE2 3.34Å; G122-V150 PolarHBondContact N-O 3.1Å; G122-E151 CarbonylContact O-C 3.53Å; G122-E151 WeakPolarHBondContact O-CA 3.38Å; G122-T152 PolarHBondContact O-N 3.44Å
123H98.8Very high95.6Very high5 Ų543.9 Ų43.92%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-91.1162.2-176-15857.1000112.4V19 F89 I91 T152 A154V19-H123 PolarHBondContact O-CD2 3.14Å; F89-H123 WeakPolarHBondContact O-CB 3.45Å; F89-H123 PolarHBondContact O-N 3.15Å; I91-H123 WeakPolarHBondContact CG1-O 3.16Å; I91-H123 WeakPolarHBondContact CG2-O 3.4Å; I91-H123 PolarHBondContact N-O 3.34Å; H123-T152 CarbonylContact C-O 3.42Å; H123-T152 WeakPolarHBondContact CA-O 3.24Å; H123-T152 PolarHBondContact ND1-O 3.27Å; H123-T152 PolarHBondContact ND1-OG1 2.93Å; H123-A154 PolarHBondContact CE1-N 3.03Å
124K98.4Very high96.7Very high47 Ų4742.1 Ų42.120%0.20422%0.224CC..  trans65.837.1-179.1-46.3-172.1-166.2163.80113.9T18 D90 D126 L127 T152T18-K124 WeakPolarHBondContact O-CE 3.44Å; T18-K124 PolarHBondContact O-NZ 3.18Å; D90-K124 WeakPolarHBondContact OD2-CD 3.4Å; D90-K124 VanDerWaalsContact OD2-CE 3.3Å; D90-K124 WeakPolarHBondContact OD2-CE 3.19Å; D90-K124 IonicContact OD2-NZ 2.78Å; D90-K124 PolarHBondContact OD2-NZ 3.21Å; K124-D126 WeakPolarHBondContact CA-OD1 3.32Å; K124-D126 PolarHBondContact O-N 3.18Å; K124-L127 HydrophobicContact CB-CD1 4.2Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 2.98Å; K124-T152 PolarHBondContact N-O 2.86Å
125C98.5Very high97.6Very high16 Ų1647.2 Ų47.211%0.10824%0.242CC..G310 helixtrans-61.8-13.9176.566.80000114.1I91 L127 E151 T152I91-C125 HydrophobicContact CD1-CB 4.34Å; C125-L127 PolarHBondContact O-N 3.4Å; C125-E151 HydrophobicContact CB-CB 4.02Å; C125-T152 PolarHBondContact N-O 3.47Å; C125-T152 PolarHBondContact SG-O 2.95Å
126D98.3Very high98.2Very high26 Ų2650.8 Ų50.814%0.13925%0.25CS..G310 helixtrans-68.9-8.5170.662.2-90.6000114.9K124 S153 R155 D156K124-D126 WeakPolarHBondContact CA-OD1 3.32Å; K124-D126 PolarHBondContact O-N 3.18Å; D126-S153 VanDerWaalsContact CB-OG 3.31Å; D126-S153 WeakPolarHBondContact CB-OG 3.29Å; D126-S153 WeakPolarHBondContact OD1-CB 3.34Å; D126-S153 PolarHBondContact OD1-OG 2.64Å; D126-R155 VanDerWaalsContact CB-NH2 3.34Å; D126-R155 PolarHBondContact O-NH2 3.46Å; D126-R155 VanDerWaalsContact O-NH2 3.08Å; D126-R155 IonicContact OD2-CZ 3.64Å; D126-R155 IonicContact OD2-NE 3.44Å; D126-R155 PolarHBondContact OD2-NE 2.95Å; D126-R155 IonicContact OD2-NH1 2.81Å; D126-R155 PolarHBondContact OD2-NH1 3.37Å; D126-R155 IonicContact OD2-NH2 3.63Å; D126-R155 PolarHBondContact OD2-NH2 2.96Å; D126-D156 HydrophobicContact CB-CB 4.41Å; D126-D156 VanDerWaalsContact CB-OD2 3.22Å; D126-D156 WeakPolarHBondContact CB-OD2 3.27Å
127L97.7Very high98.3Very high41 Ų4152.1 Ų52.122%0.21526%0.256CS..G310 helixtrans-106.839175.6-61.1178000111.9T92 K124 C125 P129 Q130T92-L127 HydrophobicContact CG2-CB 3.56Å; T92-L127 HydrophobicContact CG2-CD1 4.02Å; T92-L127 HydrophobicContact CG2-CG 4.44Å; K124-L127 HydrophobicContact CB-CD1 4.2Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 2.98Å; C125-L127 PolarHBondContact O-N 3.4Å; L127-P129 VanDerWaalsContact C-N 3.31Å; L127-P129 VanDerWaalsContact O-N 3.13Å; L127-Q130 HydrophobicContact CB-CB 4.5Å; L127-Q130 PolarHBondContact O-N 2.93Å
128E97.3Very high98.4Very high99 Ų9951 Ų5146%0.46325%0.249SC..G310 helixtrans-46.4-42.3-178.3-168.461.8-15400114.8Q130 R131E128-Q130 PolarHBondContact O-N 3.44Å; E128-Q130 VanDerWaalsContact O-N 3.07Å; E128-R131 VanDerWaalsContact CD-NE 3.25Å; E128-R131 VanDerWaalsContact O-CB 3.24Å; E128-R131 WeakPolarHBondContact O-CB 3.34Å; E128-R131 PolarHBondContact O-N 2.87Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 IonicContact OE1-CZ 3.47Å; E128-R131 IonicContact OE1-NE 3.2Å; E128-R131 PolarHBondContact OE1-NE 2.89Å; E128-R131 IonicContact OE1-NH2 2.65Å; E128-R131 IonicContact OE2-CZ 3.18Å; E128-R131 VanDerWaalsContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.91Å; E128-R131 PolarHBondContact OE2-NE 2.91Å; E128-R131 IonicContact OE2-NH2 2.75Å; E128-R131 PolarHBondContact OE2-NH2 2.82Å
129P98.2Very high98.4Very high132 Ų13254 Ų5486%0.85726%0.263SS*.G310 helixtrans-63.6-16.2178.1-22.935.6000114.9L127L127-P129 VanDerWaalsContact C-N 3.31Å; L127-P129 VanDerWaalsContact O-N 3.13Å
130Q98.3Very high98.4Very high119 Ų11962 Ų6256%0.55630%0.298SS*.G310 helixtrans-104.88-179.8-57.6177.625.100112.4T92 L127 E128 Q132T92-Q130 WeakPolarHBondContact CA-O 3.47Å; T92-Q130 WeakPolarHBondContact CB-O 3.2Å; T92-Q130 HydrophobicContact CG2-CB 3.77Å; L127-Q130 HydrophobicContact CB-CB 4.5Å; L127-Q130 PolarHBondContact O-N 2.93Å; E128-Q130 PolarHBondContact O-N 3.44Å; E128-Q130 VanDerWaalsContact O-N 3.07Å; Q130-Q132 PolarHBondContact O-N 3.46Å
131R98.6Very high98.4Very high55 Ų5563.9 Ų63.921%0.20831%0.308CS..  trans-57.7129.6-177.5179.6-179.4-72.1-90.26.5111.6I91 E128 V133 E151I91-R131 HydrophobicContact CD1-CB 4.31Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; E128-R131 VanDerWaalsContact CD-NE 3.25Å; E128-R131 VanDerWaalsContact O-CB 3.24Å; E128-R131 WeakPolarHBondContact O-CB 3.34Å; E128-R131 PolarHBondContact O-N 2.87Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 IonicContact OE1-CZ 3.47Å; E128-R131 IonicContact OE1-NE 3.2Å; E128-R131 PolarHBondContact OE1-NE 2.89Å; E128-R131 IonicContact OE1-NH2 2.65Å; E128-R131 IonicContact OE2-CZ 3.18Å; E128-R131 VanDerWaalsContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.91Å; E128-R131 PolarHBondContact OE2-NE 2.91Å; E128-R131 IonicContact OE2-NH2 2.75Å; E128-R131 PolarHBondContact OE2-NH2 2.82Å; R131-V133 VanDerWaalsContact CD-O 3.25Å; R131-V133 WeakPolarHBondContact CD-O 3.49Å; R131-V133 WeakPolarHBondContact CG-O 3.27Å; R131-V133 PolarHBondContact NH1-O 3.19Å; R131-E151 IonicContact CZ-OE1 3.57Å; R131-E151 IonicContact CZ-OE2 3.07Å; R131-E151 IonicContact NH1-OE1 3.65Å; R131-E151 PolarHBondContact NH1-OE1 3.45Å; R131-E151 IonicContact NH1-OE2 2.85Å; R131-E151 VanDerWaalsContact NH2-CD 3.32Å; R131-E151 IonicContact NH2-OE1 3.05Å; R131-E151 PolarHBondContact NH2-OE1 2.93Å; R131-E151 IonicContact NH2-OE2 2.64Å; R131-E151 PolarHBondContact NH2-OE2 2.98Å
132Q98.7Very high98.4Very high104 Ų10464 Ų6449%0.48631%0.309SS..  trans-116.3-9.1174.3-59.7-177.27.200112.9I91 T92 R94 Q130I91-Q132 PolarHBondContact O-N 3.19Å; T92-Q132 PolarHBondContact O-NE2 2.93Å; T92-Q132 PolarHBondContact O-OE1 2.85Å; R94-Q132 HydrophobicContact CB-CB 4.23Å; R94-Q132 PolarHBondContact NH1-O 3.48Å; R94-Q132 VanDerWaalsContact NH1-O 3.11Å; Q130-Q132 PolarHBondContact O-N 3.46Å
133V98.7Very high98.3Very high0 Ų066.6 Ų66.60%034%0.335CS..SBendtrans-127.3118.7179.7-175.10000108.6F89 I91 F97 R131 E137 A138F89-V133 HydrophobicContact CE2-CB 4Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.26Å; F89-V133 HydrophobicContact CZ-CG1 4.15Å; I91-V133 PolarHBondContact O-N 3.43Å; F97-V133 HydrophobicContact CB-CG1 4.33Å; F97-V133 HydrophobicContact CB-CG2 3.64Å; F97-V133 HydrophobicContact CD1-CG1 3.81Å; F97-V133 HydrophobicContact CD1-CG2 4.13Å; F97-V133 HydrophobicContact CD2-CG1 3.84Å; F97-V133 HydrophobicContact CE1-CG1 3.99Å; F97-V133 HydrophobicContact CE2-CG1 4.02Å; F97-V133 HydrophobicContact CG-CB 4.5Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.92Å; F97-V133 HydrophobicContact CZ-CG1 4.08Å; R131-V133 VanDerWaalsContact CD-O 3.25Å; R131-V133 WeakPolarHBondContact CD-O 3.49Å; R131-V133 WeakPolarHBondContact CG-O 3.27Å; R131-V133 PolarHBondContact NH1-O 3.19Å; V133-E137 WeakPolarHBondContact CA-OE1 3.4Å; V133-E137 HydrophobicContact CG1-CG 3.77Å; V133-A138 HydrophobicContact CG1-CB 4.36Å
134T98.6Very high98.3Very high69 Ų6970.2 Ų70.242%0.42337%0.366SS..  trans-72.2151.3178.363.80000110.9Q136 E137 A138T134-Q136 VanDerWaalsContact C-N 3.25Å; T134-Q136 PolarHBondContact O-N 2.92Å; T134-E137 PolarHBondContact N-OE1 3.13Å; T134-E137 WeakPolarHBondContact O-CG 3.39Å; T134-E137 PolarHBondContact O-N 3.42Å; T134-E137 VanDerWaalsContact OG1-CG 3.3Å; T134-E137 WeakPolarHBondContact OG1-CG 3.48Å; T134-E137 PolarHBondContact OG1-N 2.86Å; T134-E137 PolarHBondContact OG1-OE1 2.94Å; T134-E137 VanDerWaalsContact OG1-OE1 3.11Å; T134-A138 PolarHBondContact O-N 2.93Å
135R98.3Very high98.2Very high136 Ų13670.6 Ų70.651%0.51337%0.367SS..Hα-helixtrans-57.5-42.1172.3175.9165.4178.11485.6111.9E137 A138 E139 Y149R135-E137 PolarHBondContact O-N 2.79Å; R135-A138 PolarHBondContact O-N 2.79Å; R135-E139 HydrophobicContact CG-CG 4.19Å; R135-E139 WeakPolarHBondContact CG-OE1 3.32Å; R135-E139 IonicContact CZ-OE1 3.8Å; R135-E139 IonicContact NE-OE1 3.1Å; R135-E139 PolarHBondContact NE-OE1 3.09Å; R135-E139 IonicContact NH2-OE1 2.82Å; R135-E139 PolarHBondContact NH2-OE1 3.13Å; R135-E139 WeakPolarHBondContact O-CB 3.2Å; R135-E139 WeakPolarHBondContact O-CG 3.28Å; R135-E139 PolarHBondContact O-N 2.99Å; R135-Y149 HydrophobicContact CG-CE1 4.15Å
136Q98.6Very high98Very high157 Ų15773.3 Ų73.373%0.73440%0.398SS*.Hα-helixtrans-61.2-43.8-177.3-171.9-177.818.100113T134 K140T134-Q136 VanDerWaalsContact C-N 3.25Å; T134-Q136 PolarHBondContact O-N 2.92Å; Q136-K140 WeakPolarHBondContact O-CB 3.39Å; Q136-K140 PolarHBondContact O-N 2.76Å
137E98.3Very high97.9Very high46 Ų4672.9 Ų72.922%0.21540%0.395CS..Hα-helixtrans-71.7-33.2179.475.5-172.8117.800112.3R94 F97 V133 T134 R135 K140 L141R94-E137 IonicContact CZ-OE1 2.68Å; R94-E137 IonicContact CZ-OE2 2.71Å; R94-E137 IonicContact NH1-OE1 3.48Å; R94-E137 PolarHBondContact NH1-OE1 3.32Å; R94-E137 IonicContact NH1-OE2 2.65Å; R94-E137 PolarHBondContact NH1-OE2 3.02Å; R94-E137 IonicContact NH2-OE2 3.81Å; R94-E137 PolarHBondContact NH2-OE2 3.03Å; F97-E137 HydrophobicContact CE1-CG 4Å; F97-E137 HydrophobicContact CZ-CG 4.05Å; V133-E137 WeakPolarHBondContact CA-OE1 3.4Å; V133-E137 HydrophobicContact CG1-CG 3.77Å; T134-E137 PolarHBondContact N-OE1 3.13Å; T134-E137 WeakPolarHBondContact O-CG 3.39Å; T134-E137 PolarHBondContact O-N 3.42Å; T134-E137 VanDerWaalsContact OG1-CG 3.3Å; T134-E137 WeakPolarHBondContact OG1-CG 3.48Å; T134-E137 PolarHBondContact OG1-N 2.86Å; T134-E137 PolarHBondContact OG1-OE1 2.94Å; T134-E137 VanDerWaalsContact OG1-OE1 3.11Å; R135-E137 PolarHBondContact O-N 2.79Å; E137-K140 PolarHBondContact O-N 3.33Å; E137-L141 PolarHBondContact O-N 2.78Å
138A98.6Very high97.9Very high0 Ų075.2 Ų75.20%040%0.401CS..Hα-helixtrans-69.2-41.6175.700000111.8F89 F97 V133 T134 R135 K140 L141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.32Å; F89-A138 HydrophobicContact CZ-CB 3.75Å; F97-A138 HydrophobicContact CE2-CB 3.94Å; F97-A138 HydrophobicContact CZ-CB 4.37Å; V133-A138 HydrophobicContact CG1-CB 4.36Å; T134-A138 PolarHBondContact O-N 2.93Å; R135-A138 PolarHBondContact O-N 2.79Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.84Å; A138-L141 PolarHBondContact O-N 3.08Å; A138-A142 WeakPolarHBondContact O-CB 3.28Å; A138-A142 PolarHBondContact O-N 2.75Å; A138-Y149 HydrophobicContact CB-CD1 4.23Å; A138-Y149 HydrophobicContact CB-CD2 4.15Å; A138-Y149 HydrophobicContact CB-CE1 3.7Å; A138-Y149 HydrophobicContact CB-CE2 3.64Å; A138-Y149 HydrophobicContact CB-CG 4.4Å
139E98.6Very high98Very high80 Ų8071.6 Ų71.637%0.37438%0.383SS..Hα-helixtrans-61.2-42172.1-73.5174.1165.400111.4R135 L141 A142 G143 Y149R135-E139 HydrophobicContact CG-CG 4.19Å; R135-E139 WeakPolarHBondContact CG-OE1 3.32Å; R135-E139 IonicContact CZ-OE1 3.8Å; R135-E139 IonicContact NE-OE1 3.1Å; R135-E139 PolarHBondContact NE-OE1 3.09Å; R135-E139 IonicContact NH2-OE1 2.82Å; R135-E139 PolarHBondContact NH2-OE1 3.13Å; R135-E139 WeakPolarHBondContact O-CB 3.2Å; R135-E139 WeakPolarHBondContact O-CG 3.28Å; R135-E139 PolarHBondContact O-N 2.99Å; E139-L141 PolarHBondContact O-N 2.63Å; E139-A142 PolarHBondContact O-N 2.94Å; E139-G143 PolarHBondContact O-N 3.05Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.34Å; E139-Y149 HydrophobicContact CG-CG 4.33Å
140K98.6Very high98Very high169 Ų16965.8 Ų65.874%0.73535%0.345SS*.Hα-helixtrans-61.7-43.7175.5-173.7179.8179.8-178.40111.9Q136 E137 A138 A144Q136-K140 WeakPolarHBondContact O-CB 3.39Å; Q136-K140 PolarHBondContact O-N 2.76Å; E137-K140 PolarHBondContact O-N 3.33Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.84Å; K140-A144 PolarHBondContact O-N 3.02Å
141L98.2Very high98Very high41 Ų4161.1 Ų61.122%0.21532%0.324CS..Hα-helixtrans-64.2-45.9176.8-171.671.8000111.2F97 V100 E137 A138 E139 G143 A144 Y145F97-L141 HydrophobicContact CD2-CD2 4.19Å; F97-L141 HydrophobicContact CE1-CD2 4.45Å; F97-L141 HydrophobicContact CE2-CB 4.26Å; F97-L141 HydrophobicContact CE2-CD2 3.44Å; F97-L141 VanDerWaalsContact CE2-CD2 3.44Å; F97-L141 HydrophobicContact CE2-CG 4.48Å; F97-L141 HydrophobicContact CZ-CB 3.97Å; F97-L141 HydrophobicContact CZ-CD2 3.6Å; F97-L141 HydrophobicContact CZ-CG 4.37Å; V100-L141 HydrophobicContact CB-CD2 4.14Å; V100-L141 HydrophobicContact CG1-CD2 3.81Å; E137-L141 PolarHBondContact O-N 2.78Å; A138-L141 PolarHBondContact O-N 3.08Å; E139-L141 PolarHBondContact O-N 2.63Å; L141-G143 PolarHBondContact O-N 3.24Å; L141-A144 PolarHBondContact O-N 3.1Å; L141-Y145 HydrophobicContact CD1-CD2 4.24Å; L141-Y145 HydrophobicContact CD1-CE2 3.58Å; L141-Y145 HydrophobicContact CG-CD2 4.13Å; L141-Y145 HydrophobicContact CG-CE2 3.9Å; L141-Y145 VanDerWaalsContact O-CD2 3.23Å; L141-Y145 WeakPolarHBondContact O-CD2 3.45Å; L141-Y145 PolarHBondContact O-N 3.16Å
142A98.2Very high98Very high2 Ų258.5 Ų58.52%0.01731%0.314CS..Hα-helixtrans-58.9-47.6177.500000111.2L120 A138 E139 A144 Y145 G146 M147L120-A142 HydrophobicContact CB-CB 4.17Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; A138-A142 WeakPolarHBondContact O-CB 3.28Å; A138-A142 PolarHBondContact O-N 2.75Å; E139-A142 PolarHBondContact O-N 2.94Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 3.38Å; A142-Y145 CarbonylContact O-C 3.6Å; A142-Y145 PolarHBondContact O-N 2.88Å; A142-Y145 VanDerWaalsContact O-N 3.09Å; A142-G146 PolarHBondContact O-N 2.99Å; A142-G146 VanDerWaalsContact O-N 3.07Å; A142-M147 CarbonylContact C-O 3.5Å; A142-M147 VanDerWaalsContact C-O 3.3Å; A142-M147 HydrophobicContact CB-CB 4.31Å; A142-M147 WeakPolarHBondContact CB-O 3.33Å; A142-M147 PolarHBondContact O-N 3.43Å
143G98Very high98Very high54 Ų5453.6 Ų53.656%0.55729%0.291SS*.Hα-helixtrans-59.3-40.6176.700000113.4E139 L141 Y145 G146E139-G143 PolarHBondContact O-N 3.05Å; L141-G143 PolarHBondContact O-N 3.24Å; G143-Y145 PolarHBondContact O-N 3.08Å; G143-G146 PolarHBondContact O-N 3.45Å; G143-G146 VanDerWaalsContact O-N 3.12Å
144A97.4Very high98Very high81 Ų8153.6 Ų53.667%0.66929%0.291SS*.Hα-helixtrans-61.8-27.7176.900000113.3K140 L141 A142K140-A144 PolarHBondContact O-N 3.02Å; L141-A144 PolarHBondContact O-N 3.1Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 3.38Å
145Y95.9Very high97.9Very high55 Ų5555 Ų5522%0.21629%0.288CS..THydrogen-bonded Turntrans-99.92.3177.2-68.4-59.8000114.3H101 L104 R108 L141 A142 G143 M147H101-Y145 AromaticContact ND1-CZ 3.76Å; H101-Y145 PolarHBondContact ND1-OH 3.07Å; L104-Y145 HydrophobicContact CD2-CD1 3.38Å; L104-Y145 HydrophobicContact CD2-CD2 3.75Å; L104-Y145 HydrophobicContact CD2-CE1 3.81Å; L104-Y145 HydrophobicContact CD2-CE2 4.13Å; L104-Y145 HydrophobicContact CD2-CG 3.36Å; R108-Y145 PolarHBondContact NH2-O 2.96Å; L141-Y145 HydrophobicContact CD1-CD2 4.24Å; L141-Y145 HydrophobicContact CD1-CE2 3.58Å; L141-Y145 HydrophobicContact CG-CD2 4.13Å; L141-Y145 HydrophobicContact CG-CE2 3.9Å; L141-Y145 VanDerWaalsContact O-CD2 3.23Å; L141-Y145 WeakPolarHBondContact O-CD2 3.45Å; L141-Y145 PolarHBondContact O-N 3.16Å; A142-Y145 CarbonylContact O-C 3.6Å; A142-Y145 PolarHBondContact O-N 2.88Å; A142-Y145 VanDerWaalsContact O-N 3.09Å; G143-Y145 PolarHBondContact O-N 3.08Å; Y145-M147 VanDerWaalsContact C-N 3.29Å; Y145-M147 HydrophobicContact CD2-CE 3.89Å; Y145-M147 HydrophobicContact CG-CE 4.12Å
146G95.3Very high97.9Very high74 Ų7452.4 Ų52.476%0.76329%0.285SS*.THydrogen-bonded Turntrans68.626.2-175.700000113.7A142 G143A142-G146 PolarHBondContact O-N 2.99Å; A142-G146 VanDerWaalsContact O-N 3.07Å; G143-G146 PolarHBondContact O-N 3.45Å; G143-G146 VanDerWaalsContact O-N 3.12Å
147M96.6Very high97.9Very high16 Ų1647.6 Ų47.68%0.07927%0.271CS..  trans-101.4153.6176.6-59.8-174.6-6900110.6L87 L104 F118 L120 A142 Y145L87-M147 HydrophobicContact CD2-CE 4.43Å; L104-M147 HydrophobicContact CD1-SD 4.25Å; L104-M147 HydrophobicContact CD2-CE 4.05Å; L104-M147 HydrophobicContact CD2-SD 4.48Å; F118-M147 HydrophobicContact CB-CG 4.01Å; F118-M147 HydrophobicContact CB-SD 3.39Å; F118-M147 WeakPolarHBondContact CB-SD 3.21Å; F118-M147 HydrophobicContact CG-SD 4.36Å; L120-M147 HydrophobicContact CB-CE 4.29Å; A142-M147 CarbonylContact C-O 3.5Å; A142-M147 VanDerWaalsContact C-O 3.3Å; A142-M147 HydrophobicContact CB-CB 4.31Å; A142-M147 WeakPolarHBondContact CB-O 3.33Å; A142-M147 PolarHBondContact O-N 3.43Å; Y145-M147 VanDerWaalsContact C-N 3.29Å; Y145-M147 HydrophobicContact CD2-CE 3.89Å; Y145-M147 HydrophobicContact CG-CE 4.12Å
148R97.3Very high97.9Very high90 Ų9048.6 Ų48.634%0.3428%0.278SS..EExtended strand (participates in β ladder)trans-82.7162.7164-65.7-167.1-74.3159.58.3110.6L119 L120 E166 D170L119-R148 HydrophobicContact CD1-CB 3.6Å; L120-R148 WeakPolarHBondContact CB-O 3.47Å; L120-R148 PolarHBondContact N-O 3.34Å; R148-E166 IonicContact CZ-OE1 2.79Å; R148-E166 IonicContact NE-OE1 2.71Å; R148-E166 PolarHBondContact NE-OE1 2.88Å; R148-E166 VanDerWaalsContact NH1-CG 3.26Å; R148-E166 IonicContact NH1-OE1 3.29Å; R148-E166 PolarHBondContact NH1-OE1 3.3Å; R148-E166 PolarHBondContact NH2-O 3.44Å; R148-E166 IonicContact NH2-OE1 3.82Å; R148-D170 VanDerWaalsContact CZ-CG 3.46Å; R148-D170 IonicContact CZ-OD1 3.59Å; R148-D170 IonicContact CZ-OD2 3.71Å; R148-D170 IonicContact NE-OD1 3.62Å; R148-D170 IonicContact NE-OD2 2.69Å; R148-D170 PolarHBondContact NE-OD2 2.92Å; R148-D170 IonicContact NH1-OD1 3.49Å; R148-D170 IonicContact NH2-OD1 3.09Å; R148-D170 PolarHBondContact NH2-OD1 2.85Å; R148-D170 IonicContact NH2-OD2 3.32Å; R148-D170 PolarHBondContact NH2-OD2 2.89Å
149Y98.7Very high97.9Very high24 Ų2452 Ų529%0.09430%0.296CS..EExtended strand (participates in β ladder)trans-128.9132.7-179.9177.9-116.1000111.9F89 L120 G122 R135 A138 E139 E151F89-Y149 HydrophobicContact CE1-CD2 4.49Å; F89-Y149 AromaticContact CE1-CE2 3.65Å; F89-Y149 HydrophobicContact CE1-CE2 3.65Å; F89-Y149 AromaticContact CZ-CE2 3.69Å; F89-Y149 HydrophobicContact CZ-CE2 3.69Å; F89-Y149 AromaticContact CZ-CZ 3.98Å; F89-Y149 WeakPolarHBondContact CZ-OH 2.82Å; L120-Y149 HydrophobicContact CB-CD2 4.03Å; L120-Y149 HydrophobicContact CD2-CD2 3.8Å; L120-Y149 HydrophobicContact CD2-CE2 4.31Å; L120-Y149 HydrophobicContact CG-CD2 3.79Å; L120-Y149 HydrophobicContact CG-CE2 4.28Å; L120-Y149 WeakPolarHBondContact O-CA 3.48Å; L120-Y149 WeakPolarHBondContact O-CD2 3.16Å; G122-Y149 VanDerWaalsContact N-CE2 3.34Å; R135-Y149 HydrophobicContact CG-CE1 4.15Å; A138-Y149 HydrophobicContact CB-CD1 4.23Å; A138-Y149 HydrophobicContact CB-CD2 4.15Å; A138-Y149 HydrophobicContact CB-CE1 3.7Å; A138-Y149 HydrophobicContact CB-CE2 3.64Å; A138-Y149 HydrophobicContact CB-CG 4.4Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.34Å; E139-Y149 HydrophobicContact CG-CG 4.33Å; Y149-E151 HydrophobicContact CE1-CG 3.7Å; Y149-E151 WeakPolarHBondContact OH-CG 3.17Å; Y149-E151 PolarHBondContact OH-OE1 3.43Å
150V98.7Very high97.9Very high10 Ų1048.5 Ų48.56%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-134.6136.4175.4178.90000110.1L119 L120 V121 G122 T152 N159 A163 E166L119-V150 HydrophobicContact CD1-CG2 4.1Å; L119-V150 HydrophobicContact CD2-CG2 4.19Å; L120-V150 PolarHBondContact O-N 2.92Å; V121-V150 CarbonylContact C-O 3.3Å; V121-V150 VanDerWaalsContact CA-O 3.3Å; V121-V150 WeakPolarHBondContact CA-O 3.31Å; G122-V150 PolarHBondContact N-O 3.1Å; V150-T152 HydrophobicContact CG1-CG2 3.87Å; V150-N159 HydrophobicContact CG1-CB 3.8Å; V150-A163 HydrophobicContact CG1-CB 4.29Å; V150-E166 WeakPolarHBondContact CG2-OE2 3.4Å
151E98.8Very high97.9Very high21 Ų2144.2 Ų44.210%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-92.7134167.8-72.7-172.1177.200111G122 C125 R131 Y149 N159G122-E151 CarbonylContact O-C 3.53Å; G122-E151 WeakPolarHBondContact O-CA 3.38Å; C125-E151 HydrophobicContact CB-CB 4.02Å; R131-E151 IonicContact CZ-OE1 3.57Å; R131-E151 IonicContact CZ-OE2 3.07Å; R131-E151 IonicContact NH1-OE1 3.65Å; R131-E151 PolarHBondContact NH1-OE1 3.45Å; R131-E151 IonicContact NH1-OE2 2.85Å; R131-E151 VanDerWaalsContact NH2-CD 3.32Å; R131-E151 IonicContact NH2-OE1 3.05Å; R131-E151 PolarHBondContact NH2-OE1 2.93Å; R131-E151 IonicContact NH2-OE2 2.64Å; R131-E151 PolarHBondContact NH2-OE2 2.98Å; Y149-E151 HydrophobicContact CE1-CG 3.7Å; Y149-E151 WeakPolarHBondContact OH-CG 3.17Å; Y149-E151 PolarHBondContact OH-OE1 3.43Å; E151-N159 VanDerWaalsContact O-CB 3.24Å; E151-N159 WeakPolarHBondContact O-CB 3.31Å; E151-N159 PolarHBondContact O-ND2 3.41Å
152T98.9Very high97.9Very high0 Ų046.5 Ų46.50%027%0.272CS..EExtended strand (participates in β ladder)trans-133152.3-174.557.80000112.9L24 V121 G122 H123 K124 C125 V150 I158 N159 A163L24-T152 HydrophobicContact CD1-CG2 4.44Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.23Å; G122-T152 PolarHBondContact O-N 3.44Å; H123-T152 CarbonylContact C-O 3.42Å; H123-T152 WeakPolarHBondContact CA-O 3.24Å; H123-T152 PolarHBondContact ND1-O 3.27Å; H123-T152 PolarHBondContact ND1-OG1 2.93Å; K124-T152 PolarHBondContact N-O 2.86Å; C125-T152 PolarHBondContact N-O 3.47Å; C125-T152 PolarHBondContact SG-O 2.95Å; V150-T152 HydrophobicContact CG1-CG2 3.87Å; T152-I158 CarbonylContact C-O 3.57Å; T152-I158 VanDerWaalsContact CA-O 3.29Å; T152-I158 WeakPolarHBondContact CA-O 3.28Å; T152-N159 HydrophobicContact CG2-CB 4.06Å; T152-A163 HydrophobicContact CG2-CB 3.96Å
153S98.6Very high97.9Very high0 Ų046.4 Ų46.40%027%0.271CS..BIsolated β-bridgetrans-129.3118.7167.2176.50000110.2D126 R155 D156 A157 I158 V160D126-S153 VanDerWaalsContact CB-OG 3.31Å; D126-S153 WeakPolarHBondContact CB-OG 3.29Å; D126-S153 WeakPolarHBondContact OD1-CB 3.34Å; D126-S153 PolarHBondContact OD1-OG 2.64Å; S153-R155 VanDerWaalsContact C-N 3.3Å; S153-R155 PolarHBondContact OG-N 3.36Å; S153-D156 PolarHBondContact OG-N 3.33Å; S153-A157 CarbonylContact O-C 3.51Å; S153-A157 WeakPolarHBondContact O-CA 3.38Å; S153-A157 PolarHBondContact O-N 2.58Å; S153-I158 PolarHBondContact N-O 3.37Å; S153-I158 PolarHBondContact O-N 2.92Å; S153-V160 VanDerWaalsContact O-CG2 3.24Å; S153-V160 WeakPolarHBondContact O-CG2 3.37Å
154A97.9Very high97.9Very high0 Ų043.8 Ų43.80%024%0.244CC..THydrogen-bonded Turntrans-71.5-30.1169.400000111.4C23 R27 F33 H123C23-A154 HydrophobicContact CB-CB 3.89Å; R27-A154 HydrophobicContact CB-CB 4.12Å; R27-A154 PolarHBondContact NE-O 2.8Å; R27-A154 PolarHBondContact NH2-O 3.23Å; F33-A154 HydrophobicContact CD2-CB 3.92Å; F33-A154 HydrophobicContact CE2-CB 4.23Å; H123-A154 PolarHBondContact CE1-N 3.03Å
155R97.3Very high97.9Very high98 Ų9841 Ų4137%0.3722%0.219SC..THydrogen-bonded Turntrans-64.6-56.1179.6-170.1-174.577.2-163.910.8110.5R27 F33 D126 S153R27-R155 PolarHBondContact NH2-O 3.36Å; F33-R155 HydrophobicContact CD1-CG 4.3Å; F33-R155 HydrophobicContact CD2-CB 4.47Å; F33-R155 HydrophobicContact CE1-CB 4.19Å; F33-R155 HydrophobicContact CE1-CG 3.9Å; F33-R155 HydrophobicContact CE2-CB 4.12Å; F33-R155 HydrophobicContact CZ-CB 3.97Å; F33-R155 HydrophobicContact CZ-CG 4.12Å; D126-R155 VanDerWaalsContact CB-NH2 3.34Å; D126-R155 PolarHBondContact O-NH2 3.46Å; D126-R155 VanDerWaalsContact O-NH2 3.08Å; D126-R155 IonicContact OD2-CZ 3.64Å; D126-R155 IonicContact OD2-NE 3.44Å; D126-R155 PolarHBondContact OD2-NE 2.95Å; D126-R155 IonicContact OD2-NH1 2.81Å; D126-R155 PolarHBondContact OD2-NH1 3.37Å; D126-R155 IonicContact OD2-NH2 3.63Å; D126-R155 PolarHBondContact OD2-NH2 2.96Å; S153-R155 VanDerWaalsContact C-N 3.3Å; S153-R155 PolarHBondContact OG-N 3.36Å
156D97.8Very high97.9Very high83 Ų8339.4 Ų39.444%0.44421%0.214SC..THydrogen-bonded Turntrans-97.46.5-171.8-60.6-5.8000112D126 S153 I158D126-D156 HydrophobicContact CB-CB 4.41Å; D126-D156 VanDerWaalsContact CB-OD2 3.22Å; D126-D156 WeakPolarHBondContact CB-OD2 3.27Å; S153-D156 PolarHBondContact OG-N 3.33Å; D156-I158 HydrophobicContact CB-CD1 3.92Å; D156-I158 HydrophobicContact CB-CG1 3.95Å; D156-I158 PolarHBondContact O-N 3.37Å
157A97.9Very high98.1Very high55 Ų5536 Ų3646%0.45518%0.178SC..THydrogen-bonded Turntrans57.524.8-178.700000114.7S153 N159S153-A157 CarbonylContact O-C 3.51Å; S153-A157 WeakPolarHBondContact O-CA 3.38Å; S153-A157 PolarHBondContact O-N 2.58Å; A157-N159 PolarHBondContact O-N 3.01Å
158I98.7Very high98.2Very high67 Ų6735.2 Ų35.234%0.34417%0.174SC..BIsolated β-bridgetrans-72.8123.9179.8-58169.8000109.5T152 S153 D156 V160T152-I158 CarbonylContact C-O 3.57Å; T152-I158 VanDerWaalsContact CA-O 3.29Å; T152-I158 WeakPolarHBondContact CA-O 3.28Å; S153-I158 PolarHBondContact N-O 3.37Å; S153-I158 PolarHBondContact O-N 2.92Å; D156-I158 HydrophobicContact CB-CD1 3.92Å; D156-I158 HydrophobicContact CB-CG1 3.95Å; D156-I158 PolarHBondContact O-N 3.37Å; I158-V160 PolarHBondContact O-N 2.78Å
159N98.6Very high98.2Very high72 Ų7235.5 Ų35.539%0.38518%0.175SC..THydrogen-bonded Turntrans5414.6175.2-63.9-29.6000116.3V150 E151 T152 A157 H162 A163V150-N159 HydrophobicContact CG1-CB 3.8Å; E151-N159 VanDerWaalsContact O-CB 3.24Å; E151-N159 WeakPolarHBondContact O-CB 3.31Å; E151-N159 PolarHBondContact O-ND2 3.41Å; T152-N159 HydrophobicContact CG2-CB 4.06Å; A157-N159 PolarHBondContact O-N 3.01Å; N159-H162 HydrophobicContact CB-CB 4.17Å; N159-H162 PolarHBondContact O-N 3.22Å; N159-A163 PolarHBondContact O-N 2.89Å
160V98.6Very high98.1Very high6 Ų636.7 Ų36.74%0.03618%0.183CC..Hα-helixtrans-61.8-54.9179.9176.50000110.2L24 R27 F28 S153 I158 H162 A163 F164L24-V160 HydrophobicContact CD1-CB 4.29Å; L24-V160 HydrophobicContact CD1-CG1 3.96Å; L24-V160 HydrophobicContact CD1-CG2 3.91Å; R27-V160 HydrophobicContact CB-CG1 4.31Å; R27-V160 HydrophobicContact CG-CB 4.35Å; R27-V160 HydrophobicContact CG-CG1 4.01Å; R27-V160 HydrophobicContact CG-CG2 3.94Å; F28-V160 HydrophobicContact CB-CG1 3.68Å; F28-V160 HydrophobicContact CD2-CG1 4.43Å; S153-V160 VanDerWaalsContact O-CG2 3.24Å; S153-V160 WeakPolarHBondContact O-CG2 3.37Å; I158-V160 PolarHBondContact O-N 2.78Å; V160-H162 VanDerWaalsContact C-N 3.28Å; V160-H162 PolarHBondContact O-N 3.02Å; V160-A163 PolarHBondContact O-N 2.86Å; V160-F164 VanDerWaalsContact O-CD2 3.32Å; V160-F164 WeakPolarHBondContact O-CD2 3.43Å
161E97.9Very high98.1Very high79 Ų7936.2 Ų36.237%0.36918%0.18SC..Hα-helixtrans-60.4-40.7176.5-164.872.7-171.200111.5F28 R48 F164 T165F28-E161 WeakPolarHBondContact CE2-OE2 3.2Å; R48-E161 IonicContact CZ-OE1 3.29Å; R48-E161 IonicContact CZ-OE2 3.25Å; R48-E161 VanDerWaalsContact CZ-OE2 3.32Å; R48-E161 IonicContact NH1-OE1 2.7Å; R48-E161 IonicContact NH1-OE2 2.9Å; R48-E161 PolarHBondContact NH1-OE2 2.99Å; R48-E161 VanDerWaalsContact NH2-CD 3.31Å; R48-E161 IonicContact NH2-OE1 3.04Å; R48-E161 PolarHBondContact NH2-OE1 2.9Å; R48-E161 IonicContact NH2-OE2 2.71Å; R48-E161 PolarHBondContact NH2-OE2 3.12Å; R48-E161 VanDerWaalsContact NH2-OE2 3.08Å; E161-F164 PolarHBondContact O-N 2.71Å; E161-T165 HydrophobicContact CG-CG2 4.15Å; E161-T165 WeakPolarHBondContact O-CB 3.44Å; E161-T165 VanDerWaalsContact O-CG2 3.32Å; E161-T165 WeakPolarHBondContact O-CG2 3.09Å; E161-T165 PolarHBondContact O-N 2.78Å; E161-T165 PolarHBondContact O-OG1 3.32Å
162H98.1Very high97.9Very high89 Ų8935.5 Ų35.541%0.41218%0.176SC..Hα-helixtrans-58.8-50.4-179.1-174.3-99.5000111.3N159 V160 F164 T165 E166N159-H162 HydrophobicContact CB-CB 4.17Å; N159-H162 PolarHBondContact O-N 3.22Å; V160-H162 VanDerWaalsContact C-N 3.28Å; V160-H162 PolarHBondContact O-N 3.02Å; H162-F164 PolarHBondContact O-N 3.17Å; H162-T165 WeakPolarHBondContact CA-OG1 3.44Å; H162-T165 PolarHBondContact O-N 2.8Å; H162-T165 PolarHBondContact O-OG1 2.92Å; H162-T165 VanDerWaalsContact O-OG1 3.08Å; H162-E166 IonicContact CE1-OE2 2.75Å; H162-E166 PolarHBondContact CE1-OE2 3.46Å; H162-E166 IonicContact ND1-OE2 3.74Å; H162-E166 PolarHBondContact ND1-OE2 2.93Å; H162-E166 VanDerWaalsContact ND1-OE2 3.1Å; H162-E166 IonicContact NE2-OE2 3.22Å; H162-E166 WeakPolarHBondContact O-CB 3.23Å; H162-E166 PolarHBondContact O-N 2.91Å
163A98.5Very high97.8Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-57.4-45-178.300000113L86 L119 V150 T152 N159 V160 L167L86-A163 HydrophobicContact CD2-CB 4.27Å; L119-A163 HydrophobicContact CD2-CB 3.89Å; L119-A163 VanDerWaalsContact CD2-O 3.29Å; L119-A163 WeakPolarHBondContact CD2-O 3.31Å; V150-A163 HydrophobicContact CG1-CB 4.29Å; T152-A163 HydrophobicContact CG2-CB 3.96Å; N159-A163 PolarHBondContact O-N 2.89Å; V160-A163 PolarHBondContact O-N 2.86Å; A163-L167 WeakPolarHBondContact O-CB 3.42Å; A163-L167 PolarHBondContact O-N 3.06Å
164F98.5Very high97.7Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-72.5-43179.5-73-83.8000112.5L11 L24 I25 F28 L60 I62 L86 V160 E161 H162 E166 T168L11-F164 HydrophobicContact CD1-CD1 4.2Å; L24-F164 HydrophobicContact CD1-CE2 4.44Å; L24-F164 HydrophobicContact CD2-CE2 4.38Å; L24-F164 HydrophobicContact CG-CE2 4Å; L24-F164 HydrophobicContact CG-CZ 4.34Å; I25-F164 HydrophobicContact CG1-CZ 4.33Å; F28-F164 HydrophobicContact CB-CD2 3.79Å; F28-F164 HydrophobicContact CB-CE2 3.53Å; F28-F164 HydrophobicContact CB-CZ 4.23Å; F28-F164 HydrophobicContact CD1-CB 4.41Å; F28-F164 AromaticContact CD1-CD1 3.95Å; F28-F164 HydrophobicContact CD1-CD1 3.95Å; F28-F164 AromaticContact CD1-CD2 3.69Å; F28-F164 HydrophobicContact CD1-CD2 3.69Å; F28-F164 HydrophobicContact CD1-CE1 4.09Å; F28-F164 AromaticContact CD1-CE2 3.85Å; F28-F164 HydrophobicContact CD1-CE2 3.85Å; F28-F164 AromaticContact CD1-CG 3.75Å; F28-F164 HydrophobicContact CD1-CG 3.75Å; F28-F164 HydrophobicContact CD1-CZ 4.05Å; F28-F164 HydrophobicContact CD2-CB 4.08Å; F28-F164 AromaticContact CD2-CD2 3.51Å; F28-F164 HydrophobicContact CD2-CD2 3.51Å; F28-F164 HydrophobicContact CD2-CE2 4.18Å; F28-F164 AromaticContact CD2-CG 3.94Å; F28-F164 HydrophobicContact CD2-CG 3.94Å; F28-F164 HydrophobicContact CE1-CB 3.98Å; F28-F164 AromaticContact CE1-CD1 3.89Å; F28-F164 HydrophobicContact CE1-CD1 3.89Å; F28-F164 HydrophobicContact CE1-CD2 4.12Å; F28-F164 HydrophobicContact CE1-CE1 4.41Å; F28-F164 AromaticContact CE1-CG 3.73Å; F28-F164 HydrophobicContact CE1-CG 3.73Å; F28-F164 HydrophobicContact CE2-CB 3.6Å; F28-F164 AromaticContact CE2-CD2 3.96Å; F28-F164 HydrophobicContact CE2-CD2 3.96Å; F28-F164 AromaticContact CE2-CG 3.92Å; F28-F164 HydrophobicContact CE2-CG 3.92Å; F28-F164 HydrophobicContact CG-CB 4.47Å; F28-F164 HydrophobicContact CG-CD1 4.47Å; F28-F164 AromaticContact CG-CD2 3.37Å; F28-F164 HydrophobicContact CG-CD2 3.37Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CZ 4.24Å; F28-F164 HydrophobicContact CZ-CB 3.55Å; F28-F164 HydrophobicContact CZ-CD1 4.35Å; F28-F164 HydrophobicContact CZ-CD2 4.24Å; F28-F164 AromaticContact CZ-CG 3.81Å; F28-F164 HydrophobicContact CZ-CG 3.81Å; L60-F164 HydrophobicContact CD1-CB 4.45Å; I62-F164 HydrophobicContact CD1-CD1 4.25Å; I62-F164 HydrophobicContact CD1-CE1 3.95Å; I62-F164 HydrophobicContact CG2-CE1 4.31Å; L86-F164 HydrophobicContact CD1-CD1 3.94Å; L86-F164 HydrophobicContact CD1-CE1 3.58Å; L86-F164 HydrophobicContact CD1-CZ 4.28Å; L86-F164 HydrophobicContact CD2-CD1 4.29Å; L86-F164 HydrophobicContact CD2-CE1 4.04Å; L86-F164 HydrophobicContact CD2-CE2 4.34Å; L86-F164 HydrophobicContact CD2-CZ 4.06Å; V160-F164 VanDerWaalsContact O-CD2 3.32Å; V160-F164 WeakPolarHBondContact O-CD2 3.43Å; E161-F164 PolarHBondContact O-N 2.71Å; H162-F164 PolarHBondContact O-N 3.17Å; F164-E166 VanDerWaalsContact C-N 3.34Å; F164-T168 WeakPolarHBondContact O-CB 3.47Å; F164-T168 PolarHBondContact O-N 2.85Å; F164-T168 PolarHBondContact O-OG1 2.91Å
165T97.3Very high97.6Very high22 Ų2243.1 Ų43.114%0.13522%0.215CC..Hα-helixtrans-67.5-36.9179.552.40000112E161 H162 T168 R169E161-T165 HydrophobicContact CG-CG2 4.15Å; E161-T165 WeakPolarHBondContact O-CB 3.44Å; E161-T165 VanDerWaalsContact O-CG2 3.32Å; E161-T165 WeakPolarHBondContact O-CG2 3.09Å; E161-T165 PolarHBondContact O-N 2.78Å; E161-T165 PolarHBondContact O-OG1 3.32Å; H162-T165 WeakPolarHBondContact CA-OG1 3.44Å; H162-T165 PolarHBondContact O-N 2.8Å; H162-T165 PolarHBondContact O-OG1 2.92Å; H162-T165 VanDerWaalsContact O-OG1 3.08Å; T165-T168 PolarHBondContact O-N 2.79Å; T165-R169 WeakPolarHBondContact O-CB 3.47Å; T165-R169 PolarHBondContact O-N 2.7Å
166E97Very high97.4Very high22 Ų2245.1 Ų45.110%0.10322%0.222CC..Hα-helixtrans-62.5-52.9176.2179.8169.6-166.400111.4R148 V150 H162 F164 T168 R169 D170R148-E166 IonicContact CZ-OE1 2.79Å; R148-E166 IonicContact NE-OE1 2.71Å; R148-E166 PolarHBondContact NE-OE1 2.88Å; R148-E166 VanDerWaalsContact NH1-CG 3.26Å; R148-E166 IonicContact NH1-OE1 3.29Å; R148-E166 PolarHBondContact NH1-OE1 3.3Å; R148-E166 PolarHBondContact NH2-O 3.44Å; R148-E166 IonicContact NH2-OE1 3.82Å; V150-E166 WeakPolarHBondContact CG2-OE2 3.4Å; H162-E166 IonicContact CE1-OE2 2.75Å; H162-E166 PolarHBondContact CE1-OE2 3.46Å; H162-E166 IonicContact ND1-OE2 3.74Å; H162-E166 PolarHBondContact ND1-OE2 2.93Å; H162-E166 VanDerWaalsContact ND1-OE2 3.1Å; H162-E166 IonicContact NE2-OE2 3.22Å; H162-E166 WeakPolarHBondContact O-CB 3.23Å; H162-E166 PolarHBondContact O-N 2.91Å; F164-E166 VanDerWaalsContact C-N 3.34Å; E166-T168 VanDerWaalsContact C-N 3.31Å; E166-T168 PolarHBondContact O-N 2.83Å; E166-R169 PolarHBondContact O-N 3.04Å; E166-D170 PolarHBondContact O-N 3.48Å; E166-D170 VanDerWaalsContact O-N 3.14Å
167L98.5Very high97.3Very high1 Ų144.8 Ų44.81%0.00523%0.226CC..Hα-helixtrans-59.8-41.5174.5176.159.5000112L11 L86 V117 L119 A163 R169 D170 I171L11-L167 HydrophobicContact CD1-CD2 4.35Å; L11-L167 HydrophobicContact CD2-CD2 4.15Å; L86-L167 HydrophobicContact CD1-CD2 3.76Å; L86-L167 HydrophobicContact CG-CD2 3.98Å; V117-L167 HydrophobicContact CB-CD1 4.29Å; V117-L167 HydrophobicContact CG1-CD1 3.91Å; V117-L167 WeakPolarHBondContact O-CD1 3.45Å; L119-L167 HydrophobicContact CB-CB 4.44Å; L119-L167 HydrophobicContact CB-CD1 4.42Å; L119-L167 HydrophobicContact CD2-CB 4.46Å; A163-L167 WeakPolarHBondContact O-CB 3.42Å; A163-L167 PolarHBondContact O-N 3.06Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 2.86Å; L167-D170 PolarHBondContact O-N 3.48Å; L167-I171 HydrophobicContact CD1-CD1 3.86Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.41Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 2.8Å; L167-I171 VanDerWaalsContact O-N 3.15Å
168T98.3Very high97.1Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-61-40.6177.9-570000111.4F9 V50 I52 I58 L60 F164 T165 E166 F172F9-T168 HydrophobicContact CD2-CG2 3.98Å; F9-T168 HydrophobicContact CE2-CG2 3.94Å; V50-T168 HydrophobicContact CG2-CG2 3.85Å; I52-T168 HydrophobicContact CG2-CG2 3.61Å; I58-T168 HydrophobicContact CB-CG2 3.84Å; I58-T168 HydrophobicContact CG1-CG2 3.94Å; I58-T168 HydrophobicContact CG2-CG2 3.81Å; L60-T168 HydrophobicContact CD2-CG2 4.01Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.21Å; F164-T168 WeakPolarHBondContact O-CB 3.47Å; F164-T168 PolarHBondContact O-N 2.85Å; F164-T168 PolarHBondContact O-OG1 2.91Å; T165-T168 PolarHBondContact O-N 2.79Å; E166-T168 VanDerWaalsContact C-N 3.31Å; E166-T168 PolarHBondContact O-N 2.83Å; T168-F172 VanDerWaalsContact O-CB 3.29Å; T168-F172 WeakPolarHBondContact O-CB 3.25Å; T168-F172 PolarHBondContact O-N 2.87Å
169R97.5Very high96.8Very high97 Ų9746.8 Ų46.837%0.36624%0.24SC..Hα-helixtrans-66.3-41.7179.4-173178.7-68.9126.8-1.1111.6I52 T165 E166 L167 F172 H173I52-R169 PolarHBondContact O-NH2 2.8Å; T165-R169 WeakPolarHBondContact O-CB 3.47Å; T165-R169 PolarHBondContact O-N 2.7Å; E166-R169 PolarHBondContact O-N 3.04Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 2.86Å; R169-F172 PolarHBondContact O-N 2.83Å; R169-H173 VanDerWaalsContact CG-NE2 3.28Å; R169-H173 WeakPolarHBondContact CG-NE2 3.5Å; R169-H173 PolarHBondContact O-CD2 3.02Å; R169-H173 PolarHBondContact O-N 3.43Å
170D96.7Very high96.6Very high48 Ų4844 Ų4426%0.25723%0.225SC..Hα-helixtrans-59-50.8174.9-80.6-6.3000112V117 R148 E166 L167 F172 H173 L174V117-D170 HydrophobicContact CG1-CB 4.28Å; R148-D170 VanDerWaalsContact CZ-CG 3.46Å; R148-D170 IonicContact CZ-OD1 3.59Å; R148-D170 IonicContact CZ-OD2 3.71Å; R148-D170 IonicContact NE-OD1 3.62Å; R148-D170 IonicContact NE-OD2 2.69Å; R148-D170 PolarHBondContact NE-OD2 2.92Å; R148-D170 IonicContact NH1-OD1 3.49Å; R148-D170 IonicContact NH2-OD1 3.09Å; R148-D170 PolarHBondContact NH2-OD1 2.85Å; R148-D170 IonicContact NH2-OD2 3.32Å; R148-D170 PolarHBondContact NH2-OD2 2.89Å; E166-D170 PolarHBondContact O-N 3.48Å; E166-D170 VanDerWaalsContact O-N 3.14Å; L167-D170 PolarHBondContact O-N 3.48Å; D170-F172 VanDerWaalsContact C-N 3.27Å; D170-F172 PolarHBondContact O-N 2.95Å; D170-H173 PolarHBondContact O-N 2.91Å; D170-H173 VanDerWaalsContact O-N 3.15Å; D170-L174 WeakPolarHBondContact O-CG 3.26Å; D170-L174 PolarHBondContact O-N 2.75Å
171I97.7Very high96.3Very high0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-61.3-42.2179.9-62.9159.6000109.7F9 L11 V83 V117 L167 H173 L174 V175F9-I171 HydrophobicContact CD1-CG2 4.12Å; F9-I171 HydrophobicContact CD2-CB 4.1Å; F9-I171 HydrophobicContact CD2-CD1 4.48Å; F9-I171 HydrophobicContact CD2-CG2 3.78Å; F9-I171 HydrophobicContact CE1-CG2 3.97Å; F9-I171 HydrophobicContact CE2-CB 3.86Å; F9-I171 HydrophobicContact CE2-CG2 3.61Å; F9-I171 HydrophobicContact CG-CG2 4.05Å; F9-I171 HydrophobicContact CZ-CB 4.37Å; F9-I171 HydrophobicContact CZ-CG2 3.73Å; L11-I171 HydrophobicContact CD2-CD1 3.77Å; V83-I171 HydrophobicContact CB-CG2 4.5Å; V83-I171 HydrophobicContact CG1-CD1 4.28Å; V83-I171 HydrophobicContact CG1-CG2 4.02Å; V83-I171 HydrophobicContact CG2-CG2 3.62Å; V117-I171 HydrophobicContact CB-CG1 3.93Å; V117-I171 HydrophobicContact CG1-CG1 4.27Å; V117-I171 HydrophobicContact CG2-CG1 4.04Å; L167-I171 HydrophobicContact CD1-CD1 3.86Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.41Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 2.8Å; L167-I171 VanDerWaalsContact O-N 3.15Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 2.78Å; I171-L174 PolarHBondContact O-N 2.9Å; I171-V175 HydrophobicContact CG2-CG2 4.32Å; I171-V175 WeakPolarHBondContact O-CB 3.45Å; I171-V175 VanDerWaalsContact O-CG2 3.27Å; I171-V175 WeakPolarHBondContact O-CG2 3.33Å; I171-V175 PolarHBondContact O-N 3.21Å
172F96.7Very high96Very high6 Ų647.5 Ų47.53%0.02625%0.247CC..Hα-helixtrans-59.7-43176.2176.2-99.5000112.4L6 Y7 F9 I52 K56 I58 T168 R169 D170 V175 R176L6-F172 HydrophobicContact CD1-CE2 4.07Å; L6-F172 HydrophobicContact CD1-CZ 4.45Å; Y7-F172 AromaticContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CE2 4.1Å; Y7-F172 HydrophobicContact CE2-CD2 4.02Å; Y7-F172 AromaticContact CE2-CE2 3.86Å; Y7-F172 HydrophobicContact CE2-CE2 3.86Å; F9-F172 HydrophobicContact CE2-CB 4.26Å; F9-F172 HydrophobicContact CZ-CB 4.26Å; I52-F172 HydrophobicContact CD1-CB 3.71Å; I52-F172 HydrophobicContact CD1-CD1 3.57Å; I52-F172 HydrophobicContact CD1-CD2 3.83Å; I52-F172 HydrophobicContact CD1-CE1 4.1Å; I52-F172 HydrophobicContact CD1-CE2 4.33Å; I52-F172 HydrophobicContact CD1-CG 3.4Å; I52-F172 VanDerWaalsContact CD1-CG 3.4Å; I52-F172 HydrophobicContact CD1-CZ 4.46Å; K56-F172 HydrophobicContact CD-CE1 4.36Å; K56-F172 HydrophobicContact CD-CZ 4.02Å; I58-F172 HydrophobicContact CD1-CD2 3.94Å; I58-F172 HydrophobicContact CD1-CE2 4.42Å; T168-F172 VanDerWaalsContact O-CB 3.29Å; T168-F172 WeakPolarHBondContact O-CB 3.25Å; T168-F172 PolarHBondContact O-N 2.87Å; R169-F172 PolarHBondContact O-N 2.83Å; D170-F172 VanDerWaalsContact C-N 3.27Å; D170-F172 PolarHBondContact O-N 2.95Å; F172-V175 PolarHBondContact O-N 2.96Å; F172-R176 HydrophobicContact CD1-CG 4.21Å; F172-R176 HydrophobicContact CD2-CG 4.41Å; F172-R176 HydrophobicContact CE1-CG 3.82Å; F172-R176 HydrophobicContact CE2-CG 4.04Å; F172-R176 HydrophobicContact CG-CG 4.5Å; F172-R176 HydrophobicContact CZ-CG 3.72Å; F172-R176 WeakPolarHBondContact O-CB 3.41Å; F172-R176 WeakPolarHBondContact O-CG 3.23Å; F172-R176 PolarHBondContact O-N 3.15Å
173H96Very high95.5Very high93 Ų9347.2 Ų47.243%0.43125%0.246SC..Hα-helixtrans-64.4-42.4176.7-71.6-51.2000112.2R169 D170 I171 V175 R176 S177R169-H173 VanDerWaalsContact CG-NE2 3.28Å; R169-H173 WeakPolarHBondContact CG-NE2 3.5Å; R169-H173 PolarHBondContact O-CD2 3.02Å; R169-H173 PolarHBondContact O-N 3.43Å; D170-H173 PolarHBondContact O-N 2.91Å; D170-H173 VanDerWaalsContact O-N 3.15Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 2.78Å; H173-V175 VanDerWaalsContact C-N 3.31Å; H173-V175 PolarHBondContact O-N 3.01Å; H173-R176 PolarHBondContact O-N 3.19Å; H173-R176 VanDerWaalsContact O-N 3.08Å; H173-S177 PolarHBondContact O-N 3.28Å; H173-S177 PolarHBondContact O-OG 3.36Å
174L96Very high95Very high52 Ų5256.7 Ų56.727%0.27229%0.291SS..Hα-helixtrans-64.3-35.7175.6-68.2168.4000112.4V117 D170 I171 R176 S177 G178 D179 I180V117-L174 HydrophobicContact CG1-CD1 4.49Å; V117-L174 HydrophobicContact CG2-CD1 3.54Å; D170-L174 WeakPolarHBondContact O-CG 3.26Å; D170-L174 PolarHBondContact O-N 2.75Å; I171-L174 PolarHBondContact O-N 2.9Å; L174-R176 VanDerWaalsContact C-N 3.3Å; L174-S177 WeakPolarHBondContact CA-OG 3.32Å; L174-S177 PolarHBondContact O-OG 3.02Å; L174-S177 VanDerWaalsContact O-OG 3.06Å; L174-G178 PolarHBondContact O-N 2.98Å; L174-G178 VanDerWaalsContact O-N 3.16Å; L174-D179 HydrophobicContact CB-CB 4.35Å; L174-D179 HydrophobicContact CD2-CB 3.83Å; L174-D179 PolarHBondContact O-N 2.88Å; L174-I180 HydrophobicContact CB-CB 4.32Å; L174-I180 HydrophobicContact CB-CD1 3.76Å; L174-I180 HydrophobicContact CB-CG1 3.93Å; L174-I180 HydrophobicContact CD1-CD1 3.82Å; L174-I180 HydrophobicContact CG-CD1 4.45Å; L174-I180 PolarHBondContact O-N 3.41Å
175V95.1Very high94.5Very high16 Ų1660.1 Ų60.110%0.09733%0.326CS..Hα-helixtrans-67.9-33.5172.9171.80000111.5Y7 F9 I171 F172 H173 I180 V189Y7-V175 HydrophobicContact CD1-CG1 4.3Å; Y7-V175 HydrophobicContact CD2-CG1 4.48Å; Y7-V175 HydrophobicContact CE1-CG1 3.69Å; Y7-V175 HydrophobicContact CE2-CG1 3.88Å; Y7-V175 VanDerWaalsContact CZ-CG1 3.44Å; F9-V175 HydrophobicContact CE1-CG2 4.25Å; F9-V175 HydrophobicContact CZ-CG2 4.44Å; I171-V175 HydrophobicContact CG2-CG2 4.32Å; I171-V175 WeakPolarHBondContact O-CB 3.45Å; I171-V175 VanDerWaalsContact O-CG2 3.27Å; I171-V175 WeakPolarHBondContact O-CG2 3.33Å; I171-V175 PolarHBondContact O-N 3.21Å; F172-V175 PolarHBondContact O-N 2.96Å; H173-V175 VanDerWaalsContact C-N 3.31Å; H173-V175 PolarHBondContact O-N 3.01Å; V175-I180 WeakPolarHBondContact CA-O 3.35Å; V175-I180 HydrophobicContact CG2-CB 3.98Å; V175-I180 HydrophobicContact CG2-CG2 3.85Å; V175-V189 HydrophobicContact CG2-CG1 4.2Å; V175-V189 HydrophobicContact CG2-CG2 4.12Å
176R94Very high94.2Very high140 Ų14059.7 Ų59.753%0.52832%0.321SS..Hα-helixtrans-78-33.4179.8-73-75.3139.9157.9-0.7113.1Y7 F172 H173 L174 G178Y7-R176 VanDerWaalsContact CZ-NH2 3.31Å; Y7-R176 PolarHBondContact OH-NE 3.22Å; Y7-R176 PolarHBondContact OH-NH2 3.28Å; F172-R176 HydrophobicContact CD1-CG 4.21Å; F172-R176 HydrophobicContact CD2-CG 4.41Å; F172-R176 HydrophobicContact CE1-CG 3.82Å; F172-R176 HydrophobicContact CE2-CG 4.04Å; F172-R176 HydrophobicContact CG-CG 4.5Å; F172-R176 HydrophobicContact CZ-CG 3.72Å; F172-R176 WeakPolarHBondContact O-CB 3.41Å; F172-R176 WeakPolarHBondContact O-CG 3.23Å; F172-R176 PolarHBondContact O-N 3.15Å; H173-R176 PolarHBondContact O-N 3.19Å; H173-R176 VanDerWaalsContact O-N 3.08Å; L174-R176 VanDerWaalsContact C-N 3.3Å; R176-G178 VanDerWaalsContact C-N 3.3Å
177S95.3Very high94Very high75 Ų7560.9 Ų60.952%0.52433%0.327SS..Hα-helixtrans-76.1-19.2173.357.30000112.9H173 L174 D179H173-S177 PolarHBondContact O-N 3.28Å; H173-S177 PolarHBondContact O-OG 3.36Å; L174-S177 WeakPolarHBondContact CA-OG 3.32Å; L174-S177 PolarHBondContact O-OG 3.02Å; L174-S177 VanDerWaalsContact O-OG 3.06Å; S177-D179 WeakPolarHBondContact CB-OD2 3.01Å; S177-D179 VanDerWaalsContact OG-CG 3.31Å; S177-D179 PolarHBondContact OG-OD2 3.33Å
178G93.4Very high93.8Very high42 Ų4260.9 Ų60.943%0.43333%0.327SS..THydrogen-bonded Turntrans89.95.1-176.800000113.9L174 R176 I180 T181L174-G178 PolarHBondContact O-N 2.98Å; L174-G178 VanDerWaalsContact O-N 3.16Å; R176-G178 VanDerWaalsContact C-N 3.3Å; G178-I180 VanDerWaalsContact C-N 3.26Å; G178-I180 PolarHBondContact O-N 3.18Å; G178-T181 WeakPolarHBondContact O-CG2 3.26Å
179D93.3Very high93.7Very high122 Ų12260.9 Ų60.965%0.65233%0.327SS*.SBendtrans-68.1-28.2174.4-62.2-46.9000111.8L174 S177L174-D179 HydrophobicContact CB-CB 4.35Å; L174-D179 HydrophobicContact CD2-CB 3.83Å; L174-D179 PolarHBondContact O-N 2.88Å; S177-D179 WeakPolarHBondContact CB-OD2 3.01Å; S177-D179 VanDerWaalsContact OG-CG 3.31Å; S177-D179 PolarHBondContact OG-OD2 3.33Å
180I94.1Very high93.6Very high15 Ų1559.8 Ų59.88%0.07733%0.325CS..SBendtrans-119.9122.1168.8-64.8175.6000108.7V83 V117 L174 V175 G178 W186 V189V83-I180 HydrophobicContact CG2-CD1 3.87Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V117-I180 HydrophobicContact CG2-CD1 3.79Å; L174-I180 HydrophobicContact CB-CB 4.32Å; L174-I180 HydrophobicContact CB-CD1 3.76Å; L174-I180 HydrophobicContact CB-CG1 3.93Å; L174-I180 HydrophobicContact CD1-CD1 3.82Å; L174-I180 HydrophobicContact CG-CD1 4.45Å; L174-I180 PolarHBondContact O-N 3.41Å; V175-I180 WeakPolarHBondContact CA-O 3.35Å; V175-I180 HydrophobicContact CG2-CB 3.98Å; V175-I180 HydrophobicContact CG2-CG2 3.85Å; G178-I180 VanDerWaalsContact C-N 3.26Å; G178-I180 PolarHBondContact O-N 3.18Å; I180-W186 HydrophobicContact CG2-CH2 3.94Å; I180-W186 HydrophobicContact CG2-CZ3 3.99Å; I180-V189 HydrophobicContact CG2-CG2 3.82Å
181T91.9Very high93.3Very high70 Ų7060.8 Ų60.843%0.42934%0.336SS..  trans-114.6152.8-179.755.10000111.6G178 Q183 W186G178-T181 WeakPolarHBondContact O-CG2 3.26Å; T181-Q183 PolarHBondContact O-N 3.23Å; T181-W186 WeakPolarHBondContact O-CZ3 3.48Å
182I92Very high92.5Very high87 Ų8761.6 Ų61.645%0.44635%0.345SS..  trans-69.1130.2168.5-62.8170.1000107.2Y7 V189Y7-I182 HydrophobicContact CD1-CD1 4.41Å; Y7-I182 HydrophobicContact CE1-CD1 4.17Å; I182-V189 HydrophobicContact CG1-CB 4.33Å; I182-V189 HydrophobicContact CG1-CG1 3.85Å
183Q88.8Confident91.4Very high83 Ų8366.4 Ų66.439%0.38837%0.365SS..  trans-127.7145.8-179.8-62.3-172.112.700110.5H114 T181 G185 W186H114-Q183 VanDerWaalsContact NE2-CD 3.26Å; H114-Q183 PolarHBondContact NE2-OE1 2.69Å; T181-Q183 PolarHBondContact O-N 3.23Å; Q183-G185 PolarHBondContact O-N 3.26Å; Q183-W186 HydrophobicContact CB-CB 4.12Å; Q183-W186 PolarHBondContact O-N 3.26Å
184E87.2Confident90Very high200 Ų20064.2 Ų64.294%0.93536%0.359SS*.THydrogen-bonded Turntrans-62.7133.7176.9-166.4-178.8175.500110.8W186E184-W186 PolarHBondContact O-N 2.84Å; E184-W186 VanDerWaalsContact O-N 3.17Å
185G86.9Confident87.9Confident71 Ų7164 Ų6473%0.73236%0.361SS*.THydrogen-bonded Turntrans72.8-1.8-178.800000115.5Q183Q183-G185 PolarHBondContact O-N 3.26Å
186W92.5Very high85.8Confident13 Ų1370.3 Ų70.35%0.04939%0.394CS..  trans-101.2127.5172.9-175.254.9000111.3R80 V83 H114 I180 T181 Q183 E184 V189R80-W186 PolarHBondContact O-NE1 2.87Å; V83-W186 HydrophobicContact CB-CH2 3.97Å; V83-W186 HydrophobicContact CB-CZ2 4.11Å; V83-W186 HydrophobicContact CG2-CH2 3.85Å; V83-W186 HydrophobicContact CG2-CZ2 4.4Å; H114-W186 HydrophobicContact CB-CZ2 3.9Å; H114-W186 AromaticContact CD2-CD2 3.67Å; H114-W186 AromaticContact CD2-CE2 3.71Å; H114-W186 AromaticContact CD2-CE3 3.89Å; H114-W186 AromaticContact CD2-CZ2 3.97Å; H114-W186 AromaticContact CE1-CD1 3.63Å; H114-W186 AromaticContact CE1-CD2 3.91Å; H114-W186 AromaticContact CE1-CG 3.54Å; H114-W186 AromaticContact CG-CD2 3.96Å; H114-W186 AromaticContact CG-CE2 3.58Å; H114-W186 AromaticContact CG-CZ2 3.89Å; H114-W186 AromaticContact CG-NE1 3.68Å; H114-W186 AromaticContact ND1-CD1 3.59Å; H114-W186 AromaticContact ND1-CE2 3.93Å; H114-W186 AromaticContact ND1-CG 3.92Å; H114-W186 AromaticContact ND1-NE1 3.59Å; H114-W186 AromaticContact NE2-CD2 3.64Å; H114-W186 AromaticContact NE2-CE3 3.94Å; H114-W186 AromaticContact NE2-CG 3.69Å; I180-W186 HydrophobicContact CG2-CH2 3.94Å; I180-W186 HydrophobicContact CG2-CZ3 3.99Å; T181-W186 WeakPolarHBondContact O-CZ3 3.48Å; Q183-W186 HydrophobicContact CB-CB 4.12Å; Q183-W186 PolarHBondContact O-N 3.26Å; E184-W186 PolarHBondContact O-N 2.84Å; E184-W186 VanDerWaalsContact O-N 3.17Å; W186-V189 HydrophobicContact CH2-CG2 4.13Å; W186-V189 HydrophobicContact CZ3-CB 4.27Å; W186-V189 HydrophobicContact CZ3-CG2 3.97Å
187E92.9Very high83.7Confident48 Ų4867.8 Ų67.822%0.22439%0.394CS..  trans-980.7-172.4-62.5-78.6122.200113.8R10 N81 V189 K190R10-E187 VanDerWaalsContact CD-O 3.3Å; R10-E187 WeakPolarHBondContact CD-O 3.3Å; R10-E187 WeakPolarHBondContact CG-O 3.46Å; R10-E187 IonicContact CZ-OE2 2.68Å; R10-E187 IonicContact NH1-OE2 3.84Å; R10-E187 IonicContact NH2-OE2 2.82Å; R10-E187 PolarHBondContact NH2-OE2 3.46Å; N81-E187 HydrophobicContact CB-CB 4.04Å; N81-E187 PolarHBondContact OD1-N 2.93Å; E187-V189 PolarHBondContact O-N 3.17Å; E187-K190 WeakPolarHBondContact OE1-CE 3.08Å; E187-K190 IonicContact OE1-NZ 2.77Å; E187-K190 PolarHBondContact OE1-NZ 2.72Å; E187-K190 WeakPolarHBondContact OE2-CE 3.03Å; E187-K190 IonicContact OE2-NZ 2.86Å; E187-K190 PolarHBondContact OE2-NZ 2.82Å
188G94Very high81.2Confident0 Ų070.2 Ų70.20%041%0.405CS..SBendtrans-59.8-45.7-177.400000112.8F9 R10 N81 V83F9-G188 WeakPolarHBondContact CA-O 3.1Å; R10-G188 PolarHBondContact N-O 3.41Å; N81-G188 WeakPolarHBondContact O-CA 3.42Å; N81-G188 PolarHBondContact O-N 3.25Å; V83-G188 WeakPolarHBondContact CG1-O 3.24Å
189V95.8Very high78.9Confident0 Ų075.9 Ų75.90%042%0.42CS..EExtended strand (participates in β ladder)trans-128.5128.5177.3-175.50000110Y7 Q8 F9 V83 V175 I180 I182 W186 E187Y7-V189 HydrophobicContact CD1-CG1 4.01Å; Q8-V189 WeakPolarHBondContact O-CA 3.25Å; F9-V189 HydrophobicContact CD1-CB 4.48Å; F9-V189 HydrophobicContact CD1-CG1 4.07Å; F9-V189 HydrophobicContact CD1-CG2 4.1Å; F9-V189 HydrophobicContact CE1-CG1 3.85Å; F9-V189 HydrophobicContact CE1-CG2 4.26Å; V83-V189 HydrophobicContact CB-CG2 3.91Å; V83-V189 HydrophobicContact CG1-CG2 4.08Å; V83-V189 HydrophobicContact CG2-CG2 3.6Å; V175-V189 HydrophobicContact CG2-CG1 4.2Å; V175-V189 HydrophobicContact CG2-CG2 4.12Å; I180-V189 HydrophobicContact CG2-CG2 3.82Å; I182-V189 HydrophobicContact CG1-CB 4.33Å; I182-V189 HydrophobicContact CG1-CG1 3.85Å; W186-V189 HydrophobicContact CH2-CG2 4.13Å; W186-V189 HydrophobicContact CZ3-CB 4.27Å; W186-V189 HydrophobicContact CZ3-CG2 3.97Å; E187-V189 PolarHBondContact O-N 3.17Å
190K94.6Very high76.2Confident74 Ų7475 Ų7532%0.32242%0.423SS..EExtended strand (participates in β ladder)trans-121.3149.3167.4-61-167.7173.1-170.20111Y7 Q8 E187Y7-K190 CarbonylContact C-O 3.55Å; Y7-K190 VanDerWaalsContact CA-O 3.26Å; Y7-K190 WeakPolarHBondContact CA-O 3.48Å; Q8-K190 HydrophobicContact CB-CB 4.27Å; Q8-K190 PolarHBondContact N-O 2.74Å; Q8-K190 PolarHBondContact O-N 3.42Å; E187-K190 WeakPolarHBondContact OE1-CE 3.08Å; E187-K190 IonicContact OE1-NZ 2.77Å; E187-K190 PolarHBondContact OE1-NZ 2.72Å; E187-K190 WeakPolarHBondContact OE2-CE 3.03Å; E187-K190 IonicContact OE2-NZ 2.86Å; E187-K190 PolarHBondContact OE2-NZ 2.82Å
191S90.6Very high73.5Confident69 Ų6979.5 Ų79.548%0.48346%0.456SS..EExtended strand (participates in β ladder)trans-62.7154.9169.752.80000111.1
192G80.6Confident70.9Confident18 Ų1884.9 Ų84.919%0.18648%0.476CS..PPolyproline II helixtrans-57.1148.5176.300000114W5 L6W5-G192 WeakPolarHBondContact O-CA 3.45Å; L6-G192 VanDerWaalsContact O-CA 3.32Å; L6-G192 WeakPolarHBondContact O-CA 3.33Å; L6-G192 PolarHBondContact O-N 3.29Å
193F74.8Confident68.1Low106 Ų10689.4 Ų89.447%0.46550%0.495SS..PPolyproline II helixtrans-81.5123.2172.9-178-104.2000110.3I4 W5 P195I4-F193 HydrophobicContact CD1-CD1 4.33Å; I4-F193 PolarHBondContact N-O 3.37Å; W5-F193 HydrophobicContact CH2-CB 3.81Å; W5-F193 HydrophobicContact CH2-CD1 4.49Å; W5-F193 HydrophobicContact CH2-CG 4.43Å; W5-F193 HydrophobicContact CZ2-CB 3.35Å; W5-F193 HydrophobicContact CZ2-CG 4.32Å; F193-P195 HydrophobicContact CD1-CG 4.07Å; F193-P195 HydrophobicContact CE1-CB 3.97Å; F193-P195 HydrophobicContact CE1-CG 3.81Å
194V66.3Low65.7Low48 Ų4891.6 Ų91.629%0.29151%0.514SS..  trans-103.6111.9167.6-175.10000107.1A3 N196 V197A3-V194 HydrophobicContact CB-CG2 3.97Å; V194-N196 PolarHBondContact O-N 3.34Å; V194-V197 HydrophobicContact CB-CG2 4.08Å; V194-V197 HydrophobicContact CG1-CG2 4.17Å; V194-V197 PolarHBondContact O-N 3.05Å
195P50.9Low63.2Low48 Ų4888.4 Ų88.431%0.31251%0.509SS..THydrogen-bonded Turntrans-55.6129.8176-21.230.9000110.2I4 F193I4-P195 HydrophobicContact CD1-CG 3.81Å; I4-P195 HydrophobicContact CG1-CG 4.09Å; F193-P195 HydrophobicContact CD1-CG 4.07Å; F193-P195 HydrophobicContact CE1-CB 3.97Å; F193-P195 HydrophobicContact CE1-CG 3.81Å
196N51.7Low60.8Low148 Ų14894.2 Ų94.279%0.79151%0.514SS*.THydrogen-bonded Turntrans86.27.6-179.7-54.3-29.6000118.7V194 V198V194-N196 PolarHBondContact O-N 3.34Å; N196-V198 PolarHBondContact O-N 3.27Å
197V50.1Low58.2Low87 Ų8798.1 Ų98.153%0.52754%0.543SS..  trans-86.295.2160.2-174.60000107.7V194 H199V194-V197 HydrophobicContact CB-CG2 4.08Å; V194-V197 HydrophobicContact CG1-CG2 4.17Å; V194-V197 PolarHBondContact O-N 3.05Å; V197-H199 PolarHBondContact O-N 3.31Å
198V42.8Very low55.8Low126 Ų126103.1 Ų103.176%0.76457%0.571SS**  trans-61109.3161.5-1770000105.1N196 S200N196-V198 PolarHBondContact O-N 3.27Å; V198-S200 PolarHBondContact O-N 2.86Å
199H45.3Very low53.4Low161 Ų161114 Ų11475%0.74561%0.612SS**  trans-6298.7162.2-82.8-73.8000105.5V197 S201V197-H199 PolarHBondContact O-N 3.31Å; H199-S201 VanDerWaalsContact C-N 3.27Å; H199-S201 PolarHBondContact O-N 3.19Å
200S35.9Very low50.7Low103 Ų103124.3 Ų124.372%0.7265%0.651SS**  trans-60.499.216754.30000106V198 E202V198-S200 PolarHBondContact O-N 2.86Å; S200-E202 PolarHBondContact O-N 2.87Å
201S37.1Very low48.1Very low110 Ų110127 Ų12777%0.76968%0.678SS**  trans-48.3124159.434.80000106.9H199 E203H199-S201 VanDerWaalsContact C-N 3.27Å; H199-S201 PolarHBondContact O-N 3.19Å; S201-E203 PolarHBondContact O-N 3.37Å
202E37.7Very low46Very low182 Ų182130.8 Ų130.885%0.8569%0.692SS**  trans-41.1128.6-174.3-65.8163.2145.300111.2S200 V204S200-E202 PolarHBondContact O-N 2.87Å; E202-V204 PolarHBondContact O-N 2.86Å
203E33.8Very low44.6Very low182 Ų182139.1 Ų139.185%0.8575%0.745SS**  trans-57.4107.6166.7-76.1-177153.200107.8S201 T205S201-E203 PolarHBondContact O-N 3.37Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.85Å
204V37.6Very low43.1Very low130 Ų130140.8 Ų140.879%0.78876%0.759SS**  trans-56.3100.8162.2176.50000106.4E202 K206E202-V204 PolarHBondContact O-N 2.86Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 2.94Å
205T36.2Very low41.8Very low132 Ų132145.7 Ų145.781%0.8178%0.784SS**  trans-58.5100.7168.247.50000107.5E203 S207E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.85Å; T205-S207 PolarHBondContact O-N 3.25Å
206K35.2Very low41.3Very low194 Ų194151.1 Ų151.184%0.84381%0.81SS**  trans-59.2110.7168.4-92.4179.8173.31750107.3V204 D208V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 2.94Å; K206-D208 PolarHBondContact O-N 3.06Å
207S38.3Very low40.7Very low95 Ų95151.3 Ų151.366%0.66481%0.811SS**  trans-63.1118.7164.264.70000108.3T205 R209T205-S207 PolarHBondContact O-N 3.25Å; S207-R209 PolarHBondContact O-N 2.9Å
208D41.7Very low40.1Very low152 Ų152155.3 Ų155.381%0.81383%0.829SS**  trans-54.998.6168-94.1-25.7000110.1K206 R210K206-D208 PolarHBondContact O-N 3.06Å; D208-R210 PolarHBondContact O-N 3.48Å
209R44.2Very low40Very low229 Ų229157.3 Ų157.386%0.86483%0.833SS**  trans-90.294.7157.5-74-169.3-175.8-168.52.6107.2S207 C211S207-R209 PolarHBondContact O-N 2.9Å; R209-C211 PolarHBondContact O-N 3.42Å
210R39.1Very low39.6Very low217 Ų217157 Ų15782%0.81984%0.84SS**  trans-57116.3163.2-70.9-178.8-173.4178.52.1108.1D208 L212D208-R210 PolarHBondContact O-N 3.48Å; R210-L212 PolarHBondContact O-N 3.19Å
211C40.1Very low39.9Very low130 Ų130161.2 Ų161.288%0.87885%0.849SS**  trans-72.1116163.7-155.20000106.9R209R209-C211 PolarHBondContact O-N 3.42Å
212L47.1Very low40.1Very low149 Ų149165.4 Ų165.478%0.7886%0.855SS**  trans-96.7122.2167.4-87.4146.8000106.8R210R210-L212 PolarHBondContact O-N 3.19Å
213C50Low40.3Very low193 Ų193163.9 Ų163.9100%1.30486%0.856SS**  trans15.40160.555.70000118.7

Retrieved 213 of 213 residues in 1040.3 ms (Link to these results)

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