A0A087XFM1_POEFO Loading...

RAB39B, member RAS onco family

AlphaFold DB (A0A3P9NXD4), UniProt , Accession A0A087XFM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.5Low84.9Confident194 Ų19460.8 Ų60.896%0.95630%0.296SS*.  0119.60-79.3179.3-84.800106.9V194M1-V194 HydrophobicContact CB-CG1 4.31Å
2E60.2Low85.9Confident182 Ų18255.8 Ų55.885%0.8527%0.271SS*.  trans-84.9134.4-175.9-70.5-179.2169.600110.2
3A66.5Low86.8Confident31 Ų3151.5 Ų51.526%0.25625%0.251SS..  trans-61138.6173.500000109.4W5 F193 V194A3-W5 VanDerWaalsContact CB-O 3.26Å; A3-W5 WeakPolarHBondContact CB-O 3.26Å; A3-W5 PolarHBondContact O-N 3.03Å; A3-F193 WeakPolarHBondContact CA-O 3.21Å; A3-V194 HydrophobicContact CB-CG2 3.97Å
4I85Confident87.6Confident61 Ų6147.8 Ų47.831%0.31323%0.233SC..SBendtrans-61.9-35.4178.7-56.3178.6000109.6R57 F193 P195I4-R57 VanDerWaalsContact O-CZ 3.23Å; I4-R57 PolarHBondContact O-NE 2.9Å; I4-R57 PolarHBondContact O-NH2 2.99Å; I4-R57 VanDerWaalsContact O-NH2 3.09Å; I4-F193 HydrophobicContact CD1-CD1 4.17Å; I4-F193 PolarHBondContact N-O 2.82Å; I4-P195 HydrophobicContact CD1-CG 3.86Å; I4-P195 HydrophobicContact CG1-CG 4.03Å
5W91.1Very high88.2Confident38 Ų3844.6 Ų44.614%0.14422%0.217CC..  trans-141.1154169.655.285.2000109.3A3 Y7 L49 R57 K59 G192 F193A3-W5 VanDerWaalsContact CB-O 3.26Å; A3-W5 WeakPolarHBondContact CB-O 3.26Å; A3-W5 PolarHBondContact O-N 3.03Å; W5-Y7 VanDerWaalsContact CD1-O 3.22Å; W5-L49 HydrophobicContact CB-CD2 3.86Å; W5-L49 HydrophobicContact CD2-CD2 4.18Å; W5-L49 HydrophobicContact CE3-CD2 3.82Å; W5-L49 HydrophobicContact CG-CD2 4.22Å; W5-R57 CarbonylContact C-O 3.57Å; W5-R57 VanDerWaalsContact CA-O 3.26Å; W5-R57 WeakPolarHBondContact CA-O 3.43Å; W5-R57 HydrophobicContact CB-CB 4.34Å; W5-R57 WeakPolarHBondContact CB-O 3.34Å; W5-K59 HydrophobicContact CB-CB 4.42Å; W5-K59 HydrophobicContact CD2-CB 3.97Å; W5-K59 HydrophobicContact CD2-CD 4.19Å; W5-K59 HydrophobicContact CE3-CD 4.43Å; W5-K59 HydrophobicContact CG-CB 3.86Å; W5-K59 HydrophobicContact CH2-CD 4.12Å; W5-K59 HydrophobicContact CZ2-CD 3.8Å; W5-K59 HydrophobicContact CZ3-CD 4.41Å; W5-G192 WeakPolarHBondContact O-CA 3.1Å; W5-F193 HydrophobicContact CH2-CB 3.78Å; W5-F193 HydrophobicContact CH2-CD1 4.45Å; W5-F193 HydrophobicContact CH2-CG 4.38Å; W5-F193 HydrophobicContact CZ2-CB 3.32Å; W5-F193 HydrophobicContact CZ2-CG 4.29Å
6L92.6Very high88.7Confident66 Ų6643.2 Ų43.235%0.34621%0.211SC..SBendtrans-77.8-40.1-179.2-63.7176.8000112.7K56 R57 I58 F172 G192L6-K56 HydrophobicContact CD1-CB 3.78Å; L6-K56 HydrophobicContact CD1-CD 4.15Å; L6-K56 HydrophobicContact CD1-CG 3.85Å; L6-R57 PolarHBondContact N-O 3.01Å; L6-I58 HydrophobicContact CB-CD1 4.06Å; L6-F172 HydrophobicContact CD1-CE2 4.13Å; L6-F172 HydrophobicContact CD1-CZ 4.39Å; L6-G192 VanDerWaalsContact O-CA 3.25Å; L6-G192 WeakPolarHBondContact O-CA 3.28Å; L6-G192 PolarHBondContact O-N 2.7Å
7Y95.3Very high89Confident48 Ų4842.8 Ų42.819%0.18821%0.213CC..EExtended strand (participates in β ladder)trans-143.7158.9179-61.6-79.7000110.7W5 F9 I58 K59 F172 V175 I182 V189 K190W5-Y7 VanDerWaalsContact CD1-O 3.22Å; Y7-F9 VanDerWaalsContact CB-CE1 3.46Å; Y7-F9 HydrophobicContact CD2-CZ 4.49Å; Y7-F9 HydrophobicContact CG-CE1 4.02Å; Y7-F9 HydrophobicContact CG-CZ 4.4Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 WeakPolarHBondContact O-CA 3.43Å; Y7-I58 WeakPolarHBondContact O-CG2 3.32Å; Y7-K59 PolarHBondContact O-N 3.11Å; Y7-F172 AromaticContact CD2-CD2 3.93Å; Y7-F172 HydrophobicContact CD2-CD2 3.93Å; Y7-F172 AromaticContact CD2-CE2 3.95Å; Y7-F172 HydrophobicContact CD2-CE2 3.95Å; Y7-F172 HydrophobicContact CE2-CD2 4.05Å; Y7-F172 AromaticContact CE2-CE2 3.77Å; Y7-F172 HydrophobicContact CE2-CE2 3.77Å; Y7-V175 HydrophobicContact CD1-CG1 4.32Å; Y7-V175 HydrophobicContact CE1-CG1 3.76Å; Y7-V175 HydrophobicContact CE2-CG1 4.02Å; Y7-I182 HydrophobicContact CD1-CD1 4.47Å; Y7-I182 HydrophobicContact CE1-CD1 4.24Å; Y7-V189 HydrophobicContact CD1-CG1 4.03Å; Y7-K190 CarbonylContact C-O 3.32Å; Y7-K190 VanDerWaalsContact CA-O 3.26Å; Y7-K190 WeakPolarHBondContact CA-O 3.24Å
8Q97Very high89.2Confident21 Ų2146.1 Ų46.110%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-112.2128164.3-179.6-175.7-83.900108.8K59 Q61 V189 K190Q8-K59 CarbonylContact C-O 3.53Å; Q8-K59 VanDerWaalsContact CA-O 3.22Å; Q8-K59 WeakPolarHBondContact CA-O 3.24Å; Q8-K59 HydrophobicContact CB-CB 4.21Å; Q8-K59 HydrophobicContact CG-CB 4.18Å; Q8-K59 HydrophobicContact CG-CD 4.29Å; Q8-K59 HydrophobicContact CG-CG 4.24Å; Q8-Q61 VanDerWaalsContact CD-CD 3.49Å; Q8-Q61 HydrophobicContact CG-CG 4.04Å; Q8-V189 WeakPolarHBondContact O-CA 3.31Å; Q8-K190 HydrophobicContact CB-CB 4.25Å; Q8-K190 PolarHBondContact N-O 2.87Å; Q8-K190 PolarHBondContact O-N 3.33Å
9F97.9Very high89.6Confident0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-113.1134.9177.3-61.5-22.2000110.9Y7 L11 I58 K59 L60 Q61 V83 T168 I171 F172 V175 G188 V189Y7-F9 VanDerWaalsContact CB-CE1 3.46Å; Y7-F9 HydrophobicContact CD2-CZ 4.49Å; Y7-F9 HydrophobicContact CG-CE1 4.02Å; Y7-F9 HydrophobicContact CG-CZ 4.4Å; F9-L11 HydrophobicContact CB-CD2 4.43Å; F9-I58 HydrophobicContact CD1-CG2 4.48Å; F9-I58 HydrophobicContact CD2-CG2 3.55Å; F9-I58 HydrophobicContact CE2-CG2 3.69Å; F9-I58 HydrophobicContact CG-CG2 3.96Å; F9-I58 HydrophobicContact CZ-CD1 4.46Å; F9-I58 HydrophobicContact CZ-CG2 4.22Å; F9-K59 PolarHBondContact N-O 2.78Å; F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.33Å; F9-Q61 PolarHBondContact O-N 3.11Å; F9-V83 HydrophobicContact CB-CG1 3.86Å; F9-V83 HydrophobicContact CD1-CG1 4.42Å; F9-V83 HydrophobicContact CG-CG1 4.24Å; F9-T168 HydrophobicContact CD2-CG2 3.98Å; F9-T168 HydrophobicContact CE2-CG2 3.95Å; F9-I171 HydrophobicContact CD1-CG2 4.13Å; F9-I171 HydrophobicContact CD2-CB 4.12Å; F9-I171 HydrophobicContact CD2-CG2 3.79Å; F9-I171 HydrophobicContact CE1-CG2 3.98Å; F9-I171 HydrophobicContact CE2-CB 3.89Å; F9-I171 HydrophobicContact CE2-CG2 3.63Å; F9-I171 HydrophobicContact CG-CG2 4.07Å; F9-I171 HydrophobicContact CZ-CB 4.39Å; F9-I171 HydrophobicContact CZ-CG2 3.74Å; F9-F172 HydrophobicContact CE2-CB 4.24Å; F9-F172 HydrophobicContact CZ-CB 4.25Å; F9-V175 HydrophobicContact CE1-CG2 4.23Å; F9-V175 HydrophobicContact CZ-CG2 4.39Å; F9-G188 WeakPolarHBondContact CA-O 3.44Å; F9-V189 HydrophobicContact CD1-CB 4.46Å; F9-V189 HydrophobicContact CD1-CG1 4.06Å; F9-V189 HydrophobicContact CD1-CG2 4.06Å; F9-V189 HydrophobicContact CE1-CG1 3.83Å; F9-V189 HydrophobicContact CE1-CG2 4.21Å
10R97.6Very high90Very high28 Ų2842.1 Ų42.111%0.10622%0.219CC..EExtended strand (participates in β ladder)trans-95.4114.5172.4-165167.6174.5174.28.4109.8Q61 N81 S82 V83 G84 E187 G188R10-Q61 CarbonylContact C-O 3.51Å; R10-Q61 WeakPolarHBondContact CA-O 3.14Å; R10-N81 WeakPolarHBondContact CB-O 3.36Å; R10-N81 VanDerWaalsContact CD-O 3.25Å; R10-N81 WeakPolarHBondContact CD-O 3.35Å; R10-N81 VanDerWaalsContact NH1-CB 3.33Å; R10-S82 WeakPolarHBondContact O-CA 3.43Å; R10-V83 WeakPolarHBondContact O-CG1 3.5Å; R10-V83 PolarHBondContact O-N 3.1Å; R10-G84 PolarHBondContact O-N 2.68Å; R10-E187 WeakPolarHBondContact CB-O 3.13Å; R10-G188 PolarHBondContact N-O 3.09Å
11L98.3Very high90.3Very high0 Ų040.6 Ų40.60%021%0.211CC..EExtended strand (participates in β ladder)trans-107.2145.2179.2-54.2-174.3000110.4F9 L60 Q61 I62 W63 G84 F164 L167 I171F9-L11 HydrophobicContact CB-CD2 4.43Å; L11-L60 HydrophobicContact CD1-CB 4.47Å; L11-L60 HydrophobicContact CD1-CD1 4.01Å; L11-L60 HydrophobicContact CD1-CD2 4.01Å; L11-L60 HydrophobicContact CD1-CG 4.38Å; L11-L60 HydrophobicContact CG-CD2 4.44Å; L11-Q61 PolarHBondContact N-O 2.9Å; L11-I62 HydrophobicContact CB-CG1 4.45Å; L11-I62 HydrophobicContact CD1-CG1 4.5Å; L11-I62 WeakPolarHBondContact O-CA 3.47Å; L11-W63 PolarHBondContact O-N 3.39Å; L11-G84 VanDerWaalsContact CA-O 3.27Å; L11-G84 WeakPolarHBondContact CA-O 3.45Å; L11-F164 HydrophobicContact CD1-CD1 4.22Å; L11-L167 HydrophobicContact CD1-CD2 4.35Å; L11-L167 HydrophobicContact CD2-CD2 4.19Å; L11-I171 HydrophobicContact CD2-CD1 3.77Å
12I97Very high92.4Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-118.8141.4171.3-164.7173.4000110.2I14 W63 T65 T75 Y79 G84 G85 L86 I116I12-I14 HydrophobicContact CD1-CG2 3.92Å; I12-I14 HydrophobicContact CG1-CG2 3.88Å; I12-W63 HydrophobicContact CG1-CB 4.34Å; I12-T65 HydrophobicContact CD1-CG2 3.78Å; I12-T65 HydrophobicContact CG1-CG2 3.55Å; I12-T75 HydrophobicContact CD1-CG2 4.44Å; I12-Y79 HydrophobicContact CD1-CD1 3.66Å; I12-Y79 HydrophobicContact CD1-CE1 3.83Å; I12-G84 PolarHBondContact N-O 2.91Å; I12-G85 CarbonylContact O-C 3.56Å; I12-G85 WeakPolarHBondContact O-CA 3.19Å; I12-L86 PolarHBondContact O-N 2.78Å; I12-I116 HydrophobicContact CG2-CD1 4.35Å
13V97.8Very high94.1Very high0 Ų024 Ų240%013%0.134CC..EExtended strand (participates in β ladder)trans-112.6119.6174.3-172.90000107.9K21 I25 I62 W63 T65 L86 L88V13-K21 HydrophobicContact CG1-CB 3.79Å; V13-K21 HydrophobicContact CG1-CD 4.07Å; V13-K21 HydrophobicContact CG1-CG 3.82Å; V13-I25 HydrophobicContact CB-CD1 3.82Å; V13-I25 HydrophobicContact CB-CG1 4.44Å; V13-I25 HydrophobicContact CG1-CD1 4.27Å; V13-I25 HydrophobicContact CG2-CD1 3.56Å; V13-I25 HydrophobicContact CG2-CG1 3.83Å; V13-I62 HydrophobicContact CG2-CG2 3.8Å; V13-W63 PolarHBondContact N-O 3.32Å; V13-T65 WeakPolarHBondContact O-CG2 3.28Å; V13-T65 PolarHBondContact O-OG1 3.06Å; V13-L86 WeakPolarHBondContact CA-O 3.5Å; V13-L86 HydrophobicContact CG1-CB 4.32Å; V13-L86 HydrophobicContact CG2-CB 4.4Å; V13-L86 HydrophobicContact CG2-CD1 4.02Å; V13-L88 HydrophobicContact CG1-CD1 3.59Å; V13-L88 HydrophobicContact CG1-CD2 4.34Å
14I97.1Very high95.6Very high0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-129.8166.9-175.859.8169.5000111.8I12 T65 T75 Y79 L86 L87 L88 W103 A107 F118I12-I14 HydrophobicContact CD1-CG2 3.92Å; I12-I14 HydrophobicContact CG1-CG2 3.88Å; I14-T65 HydrophobicContact CG2-CG2 4.23Å; I14-T75 HydrophobicContact CG2-CG2 4.16Å; I14-Y79 HydrophobicContact CD1-CE1 4.19Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; I14-L86 PolarHBondContact N-O 3.29Å; I14-L87 HydrophobicContact CD1-CD1 4.05Å; I14-L87 HydrophobicContact CG1-CB 4.44Å; I14-L87 HydrophobicContact CG1-CD1 3.84Å; I14-L88 PolarHBondContact O-N 3.39Å; I14-W103 HydrophobicContact CB-CE3 4.11Å; I14-W103 HydrophobicContact CB-CZ3 4.4Å; I14-W103 HydrophobicContact CD1-CB 4.41Å; I14-W103 HydrophobicContact CD1-CE3 4.41Å; I14-A107 HydrophobicContact CD1-CB 4.29Å; I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.9Å; I14-F118 HydrophobicContact CG1-CE1 4.1Å
15G97Very high96.2Very high0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans135171.5-172.600000111K21 G67 L88 W103G15-K21 PolarHBondContact O-NZ 3.26Å; G15-G67 WeakPolarHBondContact O-CA 3.35Å; G15-L88 WeakPolarHBondContact CA-O 3.46Å; G15-W103 VanDerWaalsContact C-CE2 3.47Å; G15-W103 VanDerWaalsContact O-CZ2 3.29Å; G15-W103 WeakPolarHBondContact O-CZ2 3.49Å
16D95.9Very high96.4Very high22 Ų2221.9 Ų21.912%0.11812%0.116CC..  trans-57.6162.4-175.9-839.7000113.5V19 K21 N99 W103D16-V19 HydrophobicContact CB-CG1 3.71Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.43Å; D16-K21 PolarHBondContact O-NZ 2.66Å; D16-N99 PolarHBondContact OD1-ND2 3.31Å; D16-N99 PolarHBondContact OD2-ND2 3.48Å; D16-W103 PolarHBondContact OD1-NE1 3.44Å
17S93.5Very high96.6Very high36 Ų3621.3 Ų21.325%0.25211%0.109SC..THydrogen-bonded Turntrans-56.6152.6166.9-165.40000110V19 G67S17-V19 PolarHBondContact O-N 3.05Å; S17-G67 PolarHBondContact N-O 3.09Å
18T94.1Very high96.7Very high102 Ų10219.2 Ų19.263%0.62610%0.1SC*.THydrogen-bonded Turntrans63.1-1.1175.878.70000117.7G20 K124T18-G20 PolarHBondContact O-N 3.43Å; T18-K124 WeakPolarHBondContact O-CE 3.33Å; T18-K124 PolarHBondContact O-NZ 2.97Å
19V96.9Very high96.6Very high0 Ų019.8 Ų19.80%011%0.105CC..SBendtrans-67.9-18.3177.1-55.90000113.9D16 S17 K21 L88 D90 H123 K124D16-V19 HydrophobicContact CB-CG1 3.71Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.43Å; S17-V19 PolarHBondContact O-N 3.05Å; V19-K21 HydrophobicContact CG2-CG 3.81Å; V19-L88 HydrophobicContact CG2-CB 3.79Å; V19-D90 HydrophobicContact CB-CB 4.18Å; V19-D90 HydrophobicContact CG1-CB 4.19Å; V19-H123 PolarHBondContact O-CD2 3.08Å; V19-K124 WeakPolarHBondContact O-CE 3.35Å
20G96.6Very high96.4Very high13 Ų1323.6 Ų23.613%0.13412%0.123CC..SBendtrans107.620.4174.600000116.3T18 S22 C23 L24T18-G20 PolarHBondContact O-N 3.43Å; G20-S22 PolarHBondContact O-N 2.96Å; G20-C23 PolarHBondContact O-N 2.75Å; G20-L24 PolarHBondContact O-N 2.8Å
21K96.9Very high96.1Very high11 Ų1124.6 Ų24.65%0.04814%0.142CC..Hα-helixtrans-49.5-57.5177.6-60.1-171.9-63.9-74.20113.1V13 G15 D16 V19 C23 L24 I25 D64 T65 G67 L88V13-K21 HydrophobicContact CG1-CB 3.79Å; V13-K21 HydrophobicContact CG1-CD 4.07Å; V13-K21 HydrophobicContact CG1-CG 3.82Å; G15-K21 PolarHBondContact O-NZ 3.26Å; D16-K21 PolarHBondContact O-NZ 2.66Å; V19-K21 HydrophobicContact CG2-CG 3.81Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.5Å; K21-L24 PolarHBondContact O-N 3.11Å; K21-I25 WeakPolarHBondContact O-CG1 3.4Å; K21-I25 PolarHBondContact O-N 3.1Å; K21-D64 WeakPolarHBondContact CB-OD1 3.39Å; K21-T65 WeakPolarHBondContact CE-O 3.39Å; K21-G67 VanDerWaalsContact NZ-CA 3.3Å; K21-L88 HydrophobicContact CB-CD2 4.44Å; K21-L88 HydrophobicContact CG-CB 4.39Å; K21-L88 HydrophobicContact CG-CD2 4.01Å
22S95.8Very high95.5Very high10 Ų1032.2 Ų32.27%0.0717%0.171CC..Hα-helixtrans-61.1-39.1179.4-42.80000112.5G20 I25 R26 T40 D64G20-S22 PolarHBondContact O-N 2.96Å; S22-I25 PolarHBondContact O-N 2.7Å; S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.2Å; S22-R26 PolarHBondContact O-N 2.89Å; S22-T40 PolarHBondContact OG-OG1 3.02Å; S22-D64 WeakPolarHBondContact CA-OD2 3.44Å; S22-D64 WeakPolarHBondContact CB-OD2 3.2Å; S22-D64 PolarHBondContact N-OD1 3.24Å; S22-D64 PolarHBondContact OG-OD1 2.93Å; S22-D64 PolarHBondContact OG-OD2 3.46Å
23C96.6Very high95Very high18 Ų1835.9 Ų35.912%0.12219%0.187CC..Hα-helixtrans-65.7-41.8177.3-630000111.8G20 K21 R27 F33 A154G20-C23 PolarHBondContact O-N 2.75Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.5Å; C23-R27 VanDerWaalsContact O-CB 3.24Å; C23-R27 WeakPolarHBondContact O-CB 3.33Å; C23-R27 PolarHBondContact O-N 3.25Å; C23-F33 HydrophobicContact CB-CD2 4.42Å; C23-F33 HydrophobicContact CB-CE2 4.34Å; C23-A154 HydrophobicContact CB-CB 3.87Å
24L97.9Very high94.1Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-62.7-47.2176.2-178.467.1000110.8G20 K21 R27 F28 L86 L88 V121 T152 V160 F164G20-L24 PolarHBondContact O-N 2.8Å; K21-L24 PolarHBondContact O-N 3.11Å; L24-R27 PolarHBondContact O-N 3.42Å; L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.37Å; L24-L86 HydrophobicContact CD2-CD2 4.21Å; L24-L88 HydrophobicContact CB-CD2 4.34Å; L24-L88 HydrophobicContact CD2-CD1 4.19Å; L24-L88 HydrophobicContact CD2-CD2 3.78Å; L24-L88 HydrophobicContact CD2-CG 4.31Å; L24-V121 HydrophobicContact CD2-CG1 4.4Å; L24-T152 HydrophobicContact CD1-CG2 4.49Å; L24-V160 HydrophobicContact CD1-CB 4.2Å; L24-V160 HydrophobicContact CD1-CG1 3.86Å; L24-V160 HydrophobicContact CD1-CG2 3.8Å; L24-F164 HydrophobicContact CD2-CE2 4.37Å; L24-F164 HydrophobicContact CG-CE2 4.04Å; L24-F164 HydrophobicContact CG-CZ 4.4Å
25I97.2Very high93Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-64.7-49.2179.8-63164.9000110.6V13 K21 S22 R27 F28 T29 F46 I62 D64 F164V13-I25 HydrophobicContact CB-CD1 3.82Å; V13-I25 HydrophobicContact CB-CG1 4.44Å; V13-I25 HydrophobicContact CG1-CD1 4.27Å; V13-I25 HydrophobicContact CG2-CD1 3.56Å; V13-I25 HydrophobicContact CG2-CG1 3.83Å; K21-I25 WeakPolarHBondContact O-CG1 3.4Å; K21-I25 PolarHBondContact O-N 3.1Å; S22-I25 PolarHBondContact O-N 2.7Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.31Å; I25-F28 CarbonylContact O-C 3.54Å; I25-F28 WeakPolarHBondContact O-CA 3.17Å; I25-F28 WeakPolarHBondContact O-CB 3.33Å; I25-F28 PolarHBondContact O-N 3.04Å; I25-F28 VanDerWaalsContact O-N 3.08Å; I25-T29 HydrophobicContact CG2-CG2 4.05Å; I25-T29 WeakPolarHBondContact O-CG2 3.24Å; I25-T29 PolarHBondContact O-N 3.38Å; I25-T29 PolarHBondContact O-OG1 2.87Å; I25-F46 HydrophobicContact CG2-CB 3.95Å; I25-F46 HydrophobicContact CG2-CD1 4.12Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE2 3.94Å; I25-F46 HydrophobicContact CG2-CG 3.57Å; I25-F46 HydrophobicContact CG2-CZ 4.45Å; I25-I62 HydrophobicContact CD1-CG2 3.96Å; I25-I62 HydrophobicContact CG1-CG2 4Å; I25-I62 HydrophobicContact CG2-CG2 4.16Å; I25-D64 HydrophobicContact CD1-CB 3.39Å; I25-F164 HydrophobicContact CG1-CZ 4.32Å
26R95.5Very high92.1Very high85 Ų8552.1 Ų52.132%0.32128%0.278SS..Hα-helixtrans-63-37.7178.5-71.8179.8-174.3-173.32.2112.3S22 F28 T29 E30 G31 R32 F46S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.2Å; S22-R26 PolarHBondContact O-N 2.89Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 2.9Å; R26-T29 PolarHBondContact O-N 2.96Å; R26-E30 WeakPolarHBondContact O-CA 3.37Å; R26-E30 VanDerWaalsContact O-CB 3.32Å; R26-E30 WeakPolarHBondContact O-CB 3.43Å; R26-E30 PolarHBondContact O-N 3.42Å; R26-G31 PolarHBondContact O-N 2.99Å; R26-R32 CarbonylContact C-O 3.5Å; R26-F46 HydrophobicContact CG-CE1 4.07Å; R26-F46 HydrophobicContact CG-CZ 4.14Å
27R97.2Very high91.2Very high54 Ų5453.1 Ų53.120%0.20429%0.286CS..Hα-helixtrans-62.2-41.7173.5177.859.278.9-178.419.3110.9C23 L24 I25 G31 R32 F33 A154 R155 V160C23-R27 VanDerWaalsContact O-CB 3.24Å; C23-R27 WeakPolarHBondContact O-CB 3.33Å; C23-R27 PolarHBondContact O-N 3.25Å; L24-R27 PolarHBondContact O-N 3.42Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.31Å; R27-G31 PolarHBondContact NH1-O 2.79Å; R27-G31 WeakPolarHBondContact O-CA 3.2Å; R27-G31 PolarHBondContact O-N 2.66Å; R27-G31 VanDerWaalsContact O-N 3.09Å; R27-R32 WeakPolarHBondContact CA-O 3.23Å; R27-R32 PolarHBondContact N-O 3.49Å; R27-F33 VanDerWaalsContact CZ-CB 3.44Å; R27-A154 HydrophobicContact CB-CB 4.16Å; R27-A154 PolarHBondContact NE-O 3.46Å; R27-A154 PolarHBondContact NH2-O 3.24Å; R27-R155 PolarHBondContact NH2-O 2.81Å; R27-V160 HydrophobicContact CB-CG1 4.28Å; R27-V160 HydrophobicContact CG-CB 4.32Å; R27-V160 HydrophobicContact CG-CG1 3.99Å; R27-V160 HydrophobicContact CG-CG2 3.97Å
28F97.6Very high90.7Very high3 Ų357.7 Ų57.71%0.01331%0.308CS..Hα-helixtrans-67.4-46.7175.7176.9-111000112.2L24 I25 R26 R48 V50 L60 I62 V160 E161 F164L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.37Å; I25-F28 CarbonylContact O-C 3.54Å; I25-F28 WeakPolarHBondContact O-CA 3.17Å; I25-F28 WeakPolarHBondContact O-CB 3.33Å; I25-F28 PolarHBondContact O-N 3.04Å; I25-F28 VanDerWaalsContact O-N 3.08Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 2.9Å; F28-R48 HydrophobicContact CE1-CB 3.91Å; F28-R48 HydrophobicContact CE1-CG 4.16Å; F28-R48 HydrophobicContact CZ-CB 4.4Å; F28-R48 HydrophobicContact CZ-CG 4.21Å; F28-R48 WeakPolarHBondContact O-CD 3.42Å; F28-R48 PolarHBondContact O-NH1 2.7Å; F28-V50 HydrophobicContact CE2-CG1 4.21Å; F28-V50 HydrophobicContact CZ-CG1 3.55Å; F28-L60 HydrophobicContact CE1-CD1 4.15Å; F28-L60 HydrophobicContact CZ-CD1 4.03Å; F28-I62 HydrophobicContact CD1-CD1 3.73Å; F28-I62 HydrophobicContact CE1-CD1 3.62Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-E161 WeakPolarHBondContact CD2-OE2 3.26Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.01Å; F28-F164 HydrophobicContact CB-CD2 3.79Å; F28-F164 HydrophobicContact CB-CE2 3.52Å; F28-F164 HydrophobicContact CB-CZ 4.24Å; F28-F164 HydrophobicContact CD1-CD1 4.07Å; F28-F164 AromaticContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CE1 4.2Å; F28-F164 AromaticContact CD1-CE2 3.92Å; F28-F164 HydrophobicContact CD1-CE2 3.92Å; F28-F164 AromaticContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CZ 4.13Å; F28-F164 HydrophobicContact CD2-CB 4.05Å; F28-F164 AromaticContact CD2-CD2 3.45Å; F28-F164 HydrophobicContact CD2-CD2 3.45Å; F28-F164 VanDerWaalsContact CD2-CD2 3.45Å; F28-F164 HydrophobicContact CD2-CE2 4.12Å; F28-F164 AromaticContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CE1-CB 4.13Å; F28-F164 HydrophobicContact CE1-CD1 4.03Å; F28-F164 HydrophobicContact CE1-CD2 4.21Å; F28-F164 AromaticContact CE1-CG 3.87Å; F28-F164 HydrophobicContact CE1-CG 3.87Å; F28-F164 HydrophobicContact CE2-CB 3.59Å; F28-F164 AromaticContact CE2-CD2 3.92Å; F28-F164 HydrophobicContact CE2-CD2 3.92Å; F28-F164 AromaticContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CG-CB 4.49Å; F28-F164 HydrophobicContact CG-CD1 4.5Å; F28-F164 AromaticContact CG-CD2 3.36Å; F28-F164 HydrophobicContact CG-CD2 3.36Å; F28-F164 AromaticContact CG-CE2 3.58Å; F28-F164 HydrophobicContact CG-CE2 3.58Å; F28-F164 AromaticContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CZ 4.24Å; F28-F164 HydrophobicContact CZ-CB 3.63Å; F28-F164 HydrophobicContact CZ-CD1 4.41Å; F28-F164 HydrophobicContact CZ-CD2 4.28Å; F28-F164 AromaticContact CZ-CG 3.87Å; F28-F164 HydrophobicContact CZ-CG 3.87Å
29T95.4Very high90.2Very high33 Ų3356.3 Ų56.320%0.20230%0.301CS..Hα-helixtrans-85.7-32.7-169.555.10000113.2I25 R26 F46 R48 I62I25-T29 HydrophobicContact CG2-CG2 4.05Å; I25-T29 WeakPolarHBondContact O-CG2 3.24Å; I25-T29 PolarHBondContact O-N 3.38Å; I25-T29 PolarHBondContact O-OG1 2.87Å; R26-T29 PolarHBondContact O-N 2.96Å; T29-F46 HydrophobicContact CG2-CB 3.89Å; T29-F46 HydrophobicContact CG2-CD1 4.44Å; T29-F46 HydrophobicContact CG2-CG 4.45Å; T29-R48 HydrophobicContact CG2-CB 4.37Å; T29-I62 HydrophobicContact CG2-CD1 4.26Å
30E93.4Very high89.4Confident80 Ų8057.2 Ų57.237%0.37431%0.306SS..Hα-helixtrans-115-9.9-173.1-55.9172.6-168.100112.7R26 R32R26-E30 WeakPolarHBondContact O-CA 3.37Å; R26-E30 VanDerWaalsContact O-CB 3.32Å; R26-E30 WeakPolarHBondContact O-CB 3.43Å; R26-E30 PolarHBondContact O-N 3.42Å; E30-R32 HydrophobicContact CB-CB 4.36Å; E30-R32 HydrophobicContact CB-CG 4.35Å; E30-R32 PolarHBondContact O-N 2.8Å; E30-R32 IonicContact OE2-CZ 2.8Å; E30-R32 VanDerWaalsContact OE2-CZ 3.31Å; E30-R32 IonicContact OE2-NE 3.33Å; E30-R32 PolarHBondContact OE2-NE 2.85Å; E30-R32 VanDerWaalsContact OE2-NE 3.08Å; E30-R32 IonicContact OE2-NH2 3.89Å; E30-R32 PolarHBondContact OE2-NH2 3.04Å
31G90.3Very high88.8Confident49 Ų4961.8 Ų61.851%0.50533%0.331SS..SBendtrans67.314.5-173.600000113.3R26 R27R26-G31 PolarHBondContact O-N 2.99Å; R27-G31 PolarHBondContact NH1-O 2.79Å; R27-G31 WeakPolarHBondContact O-CA 3.2Å; R27-G31 PolarHBondContact O-N 2.66Å; R27-G31 VanDerWaalsContact O-N 3.09Å
32R85.6Confident88Confident160 Ų16061.7 Ų61.760%0.60433%0.333SS*.  trans-113.2152.1-176.1-64.2-172.2-64.6-166-0112.1R26 R27 E30R26-R32 CarbonylContact C-O 3.5Å; R27-R32 WeakPolarHBondContact CA-O 3.23Å; R27-R32 PolarHBondContact N-O 3.49Å; E30-R32 HydrophobicContact CB-CB 4.36Å; E30-R32 HydrophobicContact CB-CG 4.35Å; E30-R32 PolarHBondContact O-N 2.8Å; E30-R32 IonicContact OE2-CZ 2.8Å; E30-R32 VanDerWaalsContact OE2-CZ 3.31Å; E30-R32 IonicContact OE2-NE 3.33Å; E30-R32 PolarHBondContact OE2-NE 2.85Å; E30-R32 VanDerWaalsContact OE2-NE 3.08Å; E30-R32 IonicContact OE2-NH2 3.89Å; E30-R32 PolarHBondContact OE2-NH2 3.04Å
33F85.9Confident87.6Confident78 Ų7862.4 Ų62.434%0.34234%0.337SS..  trans-123131.3169.7172.6-101.5000109.4C23 R27 Q35 A154 R155C23-F33 HydrophobicContact CB-CD2 4.42Å; C23-F33 HydrophobicContact CB-CE2 4.34Å; R27-F33 VanDerWaalsContact CZ-CB 3.44Å; F33-Q35 HydrophobicContact CE1-CB 4.17Å; F33-A154 HydrophobicContact CD2-CB 3.98Å; F33-A154 HydrophobicContact CE2-CB 4.27Å; F33-R155 HydrophobicContact CD1-CG 4.34Å; F33-R155 HydrophobicContact CD2-CB 4.47Å; F33-R155 HydrophobicContact CE1-CB 4.25Å; F33-R155 HydrophobicContact CE1-CG 3.94Å; F33-R155 HydrophobicContact CE2-CB 4.12Å; F33-R155 HydrophobicContact CZ-CB 4.01Å; F33-R155 HydrophobicContact CZ-CG 4.13Å
34A79.9Confident87.3Confident39 Ų3964.7 Ų64.732%0.32235%0.348SS..  trans-104.6120.5172.600000108.4V36A34-V36 VanDerWaalsContact C-N 3.25Å; A34-V36 WeakPolarHBondContact CB-O 3.32Å; A34-V36 PolarHBondContact O-N 3.4Å
35Q74.4Confident87.1Confident181 Ų18169.4 Ų69.485%0.84637%0.369SS*.SBendtrans-67.5-31178.2-171.3173.81.400111.7F33F33-Q35 HydrophobicContact CE1-CB 4.17Å
36V76.6Confident87Confident121 Ų12170.8 Ų70.873%0.73338%0.375SS*.SBendtrans-106.7120.8170.4-177.10000107.6A34A34-V36 VanDerWaalsContact C-N 3.25Å; A34-V36 WeakPolarHBondContact CB-O 3.32Å; A34-V36 PolarHBondContact O-N 3.4Å
37S78.8Confident87.1Confident42 Ų4269.2 Ų69.229%0.29438%0.377SS..  trans-125.7118.6172.5-174.40000108
38D82Confident87Confident133 Ų13370.1 Ų70.171%0.71138%0.381SS*.PPolyproline II helixtrans-61.9147170.5-66.4-41.4000109.8T40D38-T40 PolarHBondContact O-N 3.07Å
39P83.9Confident86.9Confident73 Ų7373.4 Ų73.447%0.47440%0.398SS..PPolyproline II helixtrans-60.3130.8174.3-20.832.1000110.8V41P39-V41 PolarHBondContact O-N 3.18Å
40T80.7Confident86.9Confident19 Ų1972 Ų7212%0.11739%0.39CS..PPolyproline II helixtrans-58.1131.6174-43.40000110.5S22 D38 D64 A66S22-T40 PolarHBondContact OG-OG1 3.02Å; D38-T40 PolarHBondContact O-N 3.07Å; T40-D64 PolarHBondContact OG1-OD2 3.04Å; T40-A66 WeakPolarHBondContact O-CB 3.39Å
41V82.3Confident86.9Confident108 Ų10873.5 Ų73.566%0.65540%0.397SS*.  trans-107.1114.9173.9178.60000107.7P39 V43 F71P39-V41 PolarHBondContact O-N 3.18Å; V41-V43 PolarHBondContact O-N 2.96Å; V41-F71 HydrophobicContact CG1-CE1 4.19Å; V41-F71 HydrophobicContact CG1-CZ 3.95Å
42G81.9Confident87Confident9 Ų971.4 Ų71.49%0.09337%0.374CS..SBendtrans75.5-122.4-174.300000112A66G42-A66 VanDerWaalsContact O-CB 3.27Å; G42-A66 WeakPolarHBondContact O-CB 3.35Å; G42-A66 PolarHBondContact O-N 2.95Å
43V85.6Confident87.2Confident25 Ų2567.9 Ų67.915%0.15236%0.364CS..EExtended strand (participates in β ladder)trans-145.5131-175.3-170.50000110.4V41 W63 D64 T65 I74 Y78V41-V43 PolarHBondContact O-N 2.96Å; V43-W63 HydrophobicContact CG1-CB 4Å; V43-W63 HydrophobicContact CG1-CD2 4.35Å; V43-W63 HydrophobicContact CG1-CE3 3.55Å; V43-W63 HydrophobicContact CG1-CZ3 4.4Å; V43-D64 CarbonylContact C-O 3.52Å; V43-D64 WeakPolarHBondContact CA-O 3.48Å; V43-D64 WeakPolarHBondContact CG1-O 3.47Å; V43-T65 HydrophobicContact CG1-CG2 4.28Å; V43-T65 HydrophobicContact CG2-CG2 4.49Å; V43-I74 HydrophobicContact CG2-CG2 3.87Å; V43-Y78 HydrophobicContact CB-CD2 4.43Å; V43-Y78 HydrophobicContact CB-CE2 3.96Å; V43-Y78 HydrophobicContact CG1-CD2 4.39Å; V43-Y78 HydrophobicContact CG1-CE1 4.43Å; V43-Y78 HydrophobicContact CG1-CE2 4.28Å; V43-Y78 HydrophobicContact CG2-CD2 3.74Å; V43-Y78 HydrophobicContact CG2-CE2 3.49Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.49Å
44D91.6Very high87.4Confident66 Ų6670.1 Ų70.135%0.35339%0.387SS..EExtended strand (participates in β ladder)trans-103.1155.2173.8-72.1-34.9000111.4F46 W63 D64D44-F46 HydrophobicContact CB-CE2 3.85Å; D44-F46 HydrophobicContact CB-CZ 4.49Å; D44-W63 WeakPolarHBondContact O-CA 3.45Å; D44-D64 HydrophobicContact CB-CB 4.18Å; D44-D64 PolarHBondContact N-O 3.12Å; D44-D64 PolarHBondContact O-N 2.95Å
45F93.7Very high87.7Confident99 Ų9971.3 Ų71.343%0.43440%0.402SS..EExtended strand (participates in β ladder)trans-117133.1-178.5171.8-96.4000111.9Q61 W63F45-Q61 HydrophobicContact CE2-CB 3.77Å; F45-Q61 HydrophobicContact CE2-CG 3.78Å; F45-Q61 HydrophobicContact CZ-CB 4.35Å; F45-Q61 HydrophobicContact CZ-CG 3.9Å; F45-W63 HydrophobicContact CB-CE3 4.29Å; F45-W63 HydrophobicContact CB-CH2 4.43Å; F45-W63 HydrophobicContact CB-CZ3 4.1Å; F45-W63 HydrophobicContact CD2-CD2 4.3Å; F45-W63 AromaticContact CD2-CE2 3.89Å; F45-W63 HydrophobicContact CD2-CH2 4.21Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CE2-CZ2 4.46Å
46F95.7Very high88.5Confident29 Ų2966.1 Ų66.113%0.12738%0.377CS..EExtended strand (participates in β ladder)trans-130.9157.2173.2-58.5-98.3000111.4I25 R26 T29 D44 I62 D64I25-F46 HydrophobicContact CG2-CB 3.95Å; I25-F46 HydrophobicContact CG2-CD1 4.12Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE2 3.94Å; I25-F46 HydrophobicContact CG2-CG 3.57Å; I25-F46 HydrophobicContact CG2-CZ 4.45Å; R26-F46 HydrophobicContact CG-CE1 4.07Å; R26-F46 HydrophobicContact CG-CZ 4.14Å; T29-F46 HydrophobicContact CG2-CB 3.89Å; T29-F46 HydrophobicContact CG2-CD1 4.44Å; T29-F46 HydrophobicContact CG2-CG 4.45Å; D44-F46 HydrophobicContact CB-CE2 3.85Å; D44-F46 HydrophobicContact CB-CZ 4.49Å; F46-I62 HydrophobicContact CB-CB 4.41Å; F46-I62 PolarHBondContact N-O 3.5Å; F46-I62 PolarHBondContact O-N 3.3Å; F46-D64 HydrophobicContact CD2-CB 4.34Å; F46-D64 HydrophobicContact CE2-CB 3.93Å
47S96.1Very high89.4Confident53 Ų5365.4 Ų65.437%0.37136%0.361SS..EExtended strand (participates in β ladder)trans-142141173.4-169.20000112K59 L60S47-K59 WeakPolarHBondContact OG-CE 3.45Å; S47-L60 WeakPolarHBondContact CA-O 3.24Å; S47-L60 WeakPolarHBondContact CB-O 3.47Å; S47-L60 PolarHBondContact OG-O 2.92Å
48R95.8Very high90.3Very high72 Ų7263.4 Ų63.427%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-148.3141.2175.7-178.9164.5176.4-145.7-14110.4F28 T29 L60 E161F28-R48 HydrophobicContact CE1-CB 3.91Å; F28-R48 HydrophobicContact CE1-CG 4.16Å; F28-R48 HydrophobicContact CZ-CB 4.4Å; F28-R48 HydrophobicContact CZ-CG 4.21Å; F28-R48 WeakPolarHBondContact O-CD 3.42Å; F28-R48 PolarHBondContact O-NH1 2.7Å; T29-R48 HydrophobicContact CG2-CB 4.37Å; R48-L60 PolarHBondContact N-O 3.2Å; R48-L60 VanDerWaalsContact N-O 3.15Å; R48-L60 WeakPolarHBondContact O-CB 3.07Å; R48-L60 PolarHBondContact O-N 3.47Å; R48-E161 IonicContact CZ-OE1 3.08Å; R48-E161 IonicContact CZ-OE2 3.82Å; R48-E161 IonicContact NH1-OE1 3.24Å; R48-E161 PolarHBondContact NH1-OE1 3.43Å; R48-E161 IonicContact NH1-OE2 3.31Å; R48-E161 PolarHBondContact NH1-OE2 3.23Å; R48-E161 VanDerWaalsContact NH2-CD 3.34Å; R48-E161 IonicContact NH2-OE1 2.7Å; R48-E161 PolarHBondContact NH2-OE1 3.02Å; R48-E161 IonicContact NH2-OE2 3.98Å; R48-E161 PolarHBondContact NH2-OE2 3.33Å
49L95.5Very high91Very high73 Ų7359.4 Ų59.438%0.38232%0.323SS..EExtended strand (participates in β ladder)trans-83.9132.5168.1-75.7167.5000109.3W5 I58 K59W5-L49 HydrophobicContact CB-CD2 3.86Å; W5-L49 HydrophobicContact CD2-CD2 4.18Å; W5-L49 HydrophobicContact CE3-CD2 3.82Å; W5-L49 HydrophobicContact CG-CD2 4.22Å; L49-I58 WeakPolarHBondContact CA-O 3.45Å; L49-K59 HydrophobicContact CD2-CB 3.73Å; L49-K59 HydrophobicContact CD2-CG 4.21Å
50V95.7Very high91.7Very high4 Ų456 Ų562%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-120.1141.7172.8-63.60000109.8F28 I52 R57 I58 L60 T168F28-V50 HydrophobicContact CE2-CG1 4.21Å; F28-V50 HydrophobicContact CZ-CG1 3.55Å; V50-I52 HydrophobicContact CG2-CG2 4.4Å; V50-R57 CarbonylContact O-C 3.45Å; V50-R57 VanDerWaalsContact O-CA 3.29Å; V50-R57 WeakPolarHBondContact O-CA 3.36Å; V50-I58 HydrophobicContact CG2-CB 4.09Å; V50-I58 PolarHBondContact N-O 3.08Å; V50-I58 PolarHBondContact O-N 3.34Å; V50-L60 HydrophobicContact CG1-CD1 3.77Å; V50-L60 HydrophobicContact CG1-CG 4.35Å; V50-L60 HydrophobicContact CG2-CD1 3.93Å; V50-L60 HydrophobicContact CG2-CD2 4.33Å; V50-L60 HydrophobicContact CG2-CG 3.94Å; V50-T168 HydrophobicContact CG2-CG2 3.84Å
51E93.4Very high92.5Very high111 Ų11156.6 Ų56.652%0.51930%0.302SS..EExtended strand (participates in β ladder)trans-102.1113172.7-171.7168.3-169.200108.4E53 P54 G55 K56 R57E51-E53 WeakPolarHBondContact CG-O 3.25Å; E51-P54 WeakPolarHBondContact OE1-CA 3.25Å; E51-G55 PolarHBondContact OE1-N 2.54Å; E51-K56 WeakPolarHBondContact CA-O 3.24Å; E51-R57 HydrophobicContact CB-CG 4.19Å; E51-R57 HydrophobicContact CG-CG 4.23Å
52I92.9Very high93.2Very high4 Ų451.4 Ų51.42%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-86.7-27.7-175.853.6169.3000112.5V50 K56 I58 T168 R169 F172V50-I52 HydrophobicContact CG2-CG2 4.4Å; I52-K56 HydrophobicContact CG1-CB 4Å; I52-K56 WeakPolarHBondContact CG1-O 3.47Å; I52-K56 PolarHBondContact N-O 3.2Å; I52-I58 HydrophobicContact CD1-CD1 4.34Å; I52-I58 HydrophobicContact CD1-CG1 3.92Å; I52-I58 HydrophobicContact CG1-CG1 4.18Å; I52-I58 HydrophobicContact CG2-CG1 4.38Å; I52-T168 HydrophobicContact CG2-CG2 3.61Å; I52-R169 HydrophobicContact CB-CG 3.9Å; I52-R169 HydrophobicContact CG2-CG 3.94Å; I52-R169 PolarHBondContact O-NE 3.49Å; I52-R169 VanDerWaalsContact O-NE 3.1Å; I52-R169 PolarHBondContact O-NH2 2.85Å; I52-F172 HydrophobicContact CD1-CB 3.82Å; I52-F172 HydrophobicContact CD1-CD1 3.46Å; I52-F172 VanDerWaalsContact CD1-CD1 3.46Å; I52-F172 HydrophobicContact CD1-CD2 3.79Å; I52-F172 HydrophobicContact CD1-CE1 3.89Å; I52-F172 HydrophobicContact CD1-CE2 4.18Å; I52-F172 HydrophobicContact CD1-CG 3.4Å; I52-F172 HydrophobicContact CD1-CZ 4.23Å
53E89.6Confident93.9Very high86 Ų8653 Ų5340%0.40227%0.274SS..EExtended strand (participates in β ladder)trans-151.4159.7176.2-64.2172.3-151.400108.2E51 G55 K56E51-E53 WeakPolarHBondContact CG-O 3.25Å; E53-G55 PolarHBondContact O-N 3.38Å; E53-G55 VanDerWaalsContact O-N 3.13Å; E53-K56 HydrophobicContact CB-CB 4.11Å; E53-K56 HydrophobicContact CB-CD 4.08Å; E53-K56 HydrophobicContact CB-CG 4.18Å; E53-K56 HydrophobicContact CG-CD 4.49Å; E53-K56 PolarHBondContact O-N 2.95Å; E53-K56 IonicContact OE1-NZ 2.75Å; E53-K56 WeakPolarHBondContact OE2-CD 3.49Å; E53-K56 WeakPolarHBondContact OE2-CE 3.43Å; E53-K56 IonicContact OE2-NZ 3.24Å; E53-K56 PolarHBondContact OE2-NZ 2.93Å
54P90Very high94.3Very high126 Ų12651.8 Ų51.882%0.81827%0.267SS*.THydrogen-bonded Turntrans-50.8120.2178.6-27.935.8000112.8E51 K56E51-P54 WeakPolarHBondContact OE1-CA 3.25Å; P54-K56 PolarHBondContact O-N 2.87Å
55G86.6Confident94.3Very high63 Ų6348.6 Ų48.665%0.64925%0.25SS*.THydrogen-bonded Turntrans78.5-6.6-178.100000115.3E51 E53E51-G55 PolarHBondContact OE1-N 2.54Å; E53-G55 PolarHBondContact O-N 3.38Å; E53-G55 VanDerWaalsContact O-N 3.13Å
56K90.8Very high93.9Very high73 Ų7343.9 Ų43.932%0.31723%0.23SC..EExtended strand (participates in β ladder)trans-101.390.6-179.9-59.7-166.2-173.11620110.8L6 E51 I52 E53 P54 F172L6-K56 HydrophobicContact CD1-CB 3.78Å; L6-K56 HydrophobicContact CD1-CD 4.15Å; L6-K56 HydrophobicContact CD1-CG 3.85Å; E51-K56 WeakPolarHBondContact CA-O 3.24Å; I52-K56 HydrophobicContact CG1-CB 4Å; I52-K56 WeakPolarHBondContact CG1-O 3.47Å; I52-K56 PolarHBondContact N-O 3.2Å; E53-K56 HydrophobicContact CB-CB 4.11Å; E53-K56 HydrophobicContact CB-CD 4.08Å; E53-K56 HydrophobicContact CB-CG 4.18Å; E53-K56 HydrophobicContact CG-CD 4.49Å; E53-K56 PolarHBondContact O-N 2.95Å; E53-K56 IonicContact OE1-NZ 2.75Å; E53-K56 WeakPolarHBondContact OE2-CD 3.49Å; E53-K56 WeakPolarHBondContact OE2-CE 3.43Å; E53-K56 IonicContact OE2-NZ 3.24Å; E53-K56 PolarHBondContact OE2-NZ 2.93Å; P54-K56 PolarHBondContact O-N 2.87Å; K56-F172 HydrophobicContact CD-CE1 4.47Å; K56-F172 HydrophobicContact CD-CZ 4.15Å
57R94.9Very high93Very high105 Ų10543 Ų4340%0.39623%0.228SC..EExtended strand (participates in β ladder)trans-94.6140.5177.1-64.1-176.9-63.9-160.7-6111.9I4 W5 L6 V50 E51I4-R57 VanDerWaalsContact O-CZ 3.23Å; I4-R57 PolarHBondContact O-NE 2.9Å; I4-R57 PolarHBondContact O-NH2 2.99Å; I4-R57 VanDerWaalsContact O-NH2 3.09Å; W5-R57 CarbonylContact C-O 3.57Å; W5-R57 VanDerWaalsContact CA-O 3.26Å; W5-R57 WeakPolarHBondContact CA-O 3.43Å; W5-R57 HydrophobicContact CB-CB 4.34Å; W5-R57 WeakPolarHBondContact CB-O 3.34Å; L6-R57 PolarHBondContact N-O 3.01Å; V50-R57 CarbonylContact O-C 3.45Å; V50-R57 VanDerWaalsContact O-CA 3.29Å; V50-R57 WeakPolarHBondContact O-CA 3.36Å; E51-R57 HydrophobicContact CB-CG 4.19Å; E51-R57 HydrophobicContact CG-CG 4.23Å
58I96.8Very high92.2Very high0 Ų042.5 Ų42.50%022%0.22CC..EExtended strand (participates in β ladder)trans-125.1135.4175.4-54.1-65.4000108.2L6 Y7 F9 L49 V50 I52 L60 T168 F172L6-I58 HydrophobicContact CB-CD1 4.06Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 WeakPolarHBondContact O-CA 3.43Å; Y7-I58 WeakPolarHBondContact O-CG2 3.32Å; F9-I58 HydrophobicContact CD1-CG2 4.48Å; F9-I58 HydrophobicContact CD2-CG2 3.55Å; F9-I58 HydrophobicContact CE2-CG2 3.69Å; F9-I58 HydrophobicContact CG-CG2 3.96Å; F9-I58 HydrophobicContact CZ-CD1 4.46Å; F9-I58 HydrophobicContact CZ-CG2 4.22Å; L49-I58 WeakPolarHBondContact CA-O 3.45Å; V50-I58 HydrophobicContact CG2-CB 4.09Å; V50-I58 PolarHBondContact N-O 3.08Å; V50-I58 PolarHBondContact O-N 3.34Å; I52-I58 HydrophobicContact CD1-CD1 4.34Å; I52-I58 HydrophobicContact CD1-CG1 3.92Å; I52-I58 HydrophobicContact CG1-CG1 4.18Å; I52-I58 HydrophobicContact CG2-CG1 4.38Å; I58-L60 HydrophobicContact CG2-CD2 4.1Å; I58-T168 HydrophobicContact CB-CG2 3.87Å; I58-T168 HydrophobicContact CG1-CG2 3.97Å; I58-T168 HydrophobicContact CG2-CG2 3.83Å; I58-F172 HydrophobicContact CD1-CD2 3.93Å; I58-F172 HydrophobicContact CD1-CE2 4.32Å
59K97.3Very high91.3Very high50 Ų5046 Ų4622%0.21724%0.24CC..EExtended strand (participates in β ladder)trans-90120.1174.2-174.5176.7175.3-168.20109.8W5 Y7 Q8 F9 S47 L49W5-K59 HydrophobicContact CB-CB 4.42Å; W5-K59 HydrophobicContact CD2-CB 3.97Å; W5-K59 HydrophobicContact CD2-CD 4.19Å; W5-K59 HydrophobicContact CE3-CD 4.43Å; W5-K59 HydrophobicContact CG-CB 3.86Å; W5-K59 HydrophobicContact CH2-CD 4.12Å; W5-K59 HydrophobicContact CZ2-CD 3.8Å; W5-K59 HydrophobicContact CZ3-CD 4.41Å; Y7-K59 PolarHBondContact O-N 3.11Å; Q8-K59 CarbonylContact C-O 3.53Å; Q8-K59 VanDerWaalsContact CA-O 3.22Å; Q8-K59 WeakPolarHBondContact CA-O 3.24Å; Q8-K59 HydrophobicContact CB-CB 4.21Å; Q8-K59 HydrophobicContact CG-CB 4.18Å; Q8-K59 HydrophobicContact CG-CD 4.29Å; Q8-K59 HydrophobicContact CG-CG 4.24Å; F9-K59 PolarHBondContact N-O 2.78Å; S47-K59 WeakPolarHBondContact OG-CE 3.45Å; L49-K59 HydrophobicContact CD2-CB 3.73Å; L49-K59 HydrophobicContact CD2-CG 4.21Å
60L98.3Very high90.3Very high0 Ų051.3 Ų51.30%026%0.255CS..EExtended strand (participates in β ladder)trans-93.6134.3173.3-55.5-176.5000109.9F9 L11 F28 S47 R48 V50 I58 I62 F164 T168F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.33Å; L11-L60 HydrophobicContact CD1-CB 4.47Å; L11-L60 HydrophobicContact CD1-CD1 4.01Å; L11-L60 HydrophobicContact CD1-CD2 4.01Å; L11-L60 HydrophobicContact CD1-CG 4.38Å; L11-L60 HydrophobicContact CG-CD2 4.44Å; F28-L60 HydrophobicContact CE1-CD1 4.15Å; F28-L60 HydrophobicContact CZ-CD1 4.03Å; S47-L60 WeakPolarHBondContact CA-O 3.24Å; S47-L60 WeakPolarHBondContact CB-O 3.47Å; S47-L60 PolarHBondContact OG-O 2.92Å; R48-L60 PolarHBondContact N-O 3.2Å; R48-L60 VanDerWaalsContact N-O 3.15Å; R48-L60 WeakPolarHBondContact O-CB 3.07Å; R48-L60 PolarHBondContact O-N 3.47Å; V50-L60 HydrophobicContact CG1-CD1 3.77Å; V50-L60 HydrophobicContact CG1-CG 4.35Å; V50-L60 HydrophobicContact CG2-CD1 3.93Å; V50-L60 HydrophobicContact CG2-CD2 4.33Å; V50-L60 HydrophobicContact CG2-CG 3.94Å; I58-L60 HydrophobicContact CG2-CD2 4.1Å; L60-I62 HydrophobicContact CB-CD1 4.27Å; L60-I62 HydrophobicContact CB-CG1 4.09Å; L60-F164 HydrophobicContact CD1-CB 4.4Å; L60-T168 HydrophobicContact CD2-CG2 4.06Å
61Q97.8Very high89.5Confident32 Ų3253.3 Ų53.315%0.1526%0.263CS..EExtended strand (participates in β ladder)trans-113.7112.7167.4-78.2-166.1-35.900107.4Q8 F9 R10 L11 F45Q8-Q61 VanDerWaalsContact CD-CD 3.49Å; Q8-Q61 HydrophobicContact CG-CG 4.04Å; F9-Q61 PolarHBondContact O-N 3.11Å; R10-Q61 CarbonylContact C-O 3.51Å; R10-Q61 WeakPolarHBondContact CA-O 3.14Å; L11-Q61 PolarHBondContact N-O 2.9Å; F45-Q61 HydrophobicContact CE2-CB 3.77Å; F45-Q61 HydrophobicContact CE2-CG 3.78Å; F45-Q61 HydrophobicContact CZ-CB 4.35Å; F45-Q61 HydrophobicContact CZ-CG 3.9Å
62I98.1Very high88.8Confident0 Ų050.8 Ų50.80%025%0.249CC..EExtended strand (participates in β ladder)trans-115123-167.5-52.8168.7000108.5L11 V13 I25 F28 T29 F46 L60 F164L11-I62 HydrophobicContact CB-CG1 4.45Å; L11-I62 HydrophobicContact CD1-CG1 4.5Å; L11-I62 WeakPolarHBondContact O-CA 3.47Å; V13-I62 HydrophobicContact CG2-CG2 3.8Å; I25-I62 HydrophobicContact CD1-CG2 3.96Å; I25-I62 HydrophobicContact CG1-CG2 4Å; I25-I62 HydrophobicContact CG2-CG2 4.16Å; F28-I62 HydrophobicContact CD1-CD1 3.73Å; F28-I62 HydrophobicContact CE1-CD1 3.62Å; T29-I62 HydrophobicContact CG2-CD1 4.26Å; F46-I62 HydrophobicContact CB-CB 4.41Å; F46-I62 PolarHBondContact N-O 3.5Å; F46-I62 PolarHBondContact O-N 3.3Å; L60-I62 HydrophobicContact CB-CD1 4.27Å; L60-I62 HydrophobicContact CB-CG1 4.09Å; I62-F164 HydrophobicContact CD1-CD1 4.12Å; I62-F164 HydrophobicContact CD1-CE1 3.83Å; I62-F164 HydrophobicContact CG2-CE1 4.33Å
63W96.1Very high88.1Confident41 Ų4154.7 Ų54.716%0.15528%0.277CS..EExtended strand (participates in β ladder)trans-99112.4175.7-65.387.8000109.6L11 I12 V13 V43 D44 F45 Y78L11-W63 PolarHBondContact O-N 3.39Å; I12-W63 HydrophobicContact CG1-CB 4.34Å; V13-W63 PolarHBondContact N-O 3.32Å; V43-W63 HydrophobicContact CG1-CB 4Å; V43-W63 HydrophobicContact CG1-CD2 4.35Å; V43-W63 HydrophobicContact CG1-CE3 3.55Å; V43-W63 HydrophobicContact CG1-CZ3 4.4Å; D44-W63 WeakPolarHBondContact O-CA 3.45Å; F45-W63 HydrophobicContact CB-CE3 4.29Å; F45-W63 HydrophobicContact CB-CH2 4.43Å; F45-W63 HydrophobicContact CB-CZ3 4.1Å; F45-W63 HydrophobicContact CD2-CD2 4.3Å; F45-W63 AromaticContact CD2-CE2 3.89Å; F45-W63 HydrophobicContact CD2-CH2 4.21Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CE2-CZ2 4.46Å; W63-Y78 AromaticContact CD2-CD1 3.64Å; W63-Y78 HydrophobicContact CD2-CD1 3.64Å; W63-Y78 AromaticContact CD2-CE1 3.82Å; W63-Y78 HydrophobicContact CD2-CE1 3.82Å; W63-Y78 AromaticContact CE3-CD1 3.63Å; W63-Y78 HydrophobicContact CE3-CD1 3.63Å; W63-Y78 AromaticContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CG-CD1 4.12Å; W63-Y78 HydrophobicContact CH2-CD1 4.34Å; W63-Y78 AromaticContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CZ2-CD1 4.4Å; W63-Y78 HydrophobicContact CZ2-CE1 4.14Å; W63-Y78 AromaticContact CZ3-CD1 3.98Å; W63-Y78 HydrophobicContact CZ3-CD1 3.98Å; W63-Y78 AromaticContact CZ3-CE1 3.25Å; W63-Y78 HydrophobicContact CZ3-CE1 3.25Å; W63-Y78 AromaticContact CZ3-CZ 3.97Å
64D94.2Very high87.7Confident0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-84.3117.4171.4-175.127.4000109.1K21 S22 I25 T40 V43 D44 F46K21-D64 WeakPolarHBondContact CB-OD1 3.39Å; S22-D64 WeakPolarHBondContact CA-OD2 3.44Å; S22-D64 WeakPolarHBondContact CB-OD2 3.2Å; S22-D64 PolarHBondContact N-OD1 3.24Å; S22-D64 PolarHBondContact OG-OD1 2.93Å; S22-D64 PolarHBondContact OG-OD2 3.46Å; I25-D64 HydrophobicContact CD1-CB 3.39Å; T40-D64 PolarHBondContact OG1-OD2 3.04Å; V43-D64 CarbonylContact C-O 3.52Å; V43-D64 WeakPolarHBondContact CA-O 3.48Å; V43-D64 WeakPolarHBondContact CG1-O 3.47Å; D44-D64 HydrophobicContact CB-CB 4.18Å; D44-D64 PolarHBondContact N-O 3.12Å; D44-D64 PolarHBondContact O-N 2.95Å; F46-D64 HydrophobicContact CD2-CB 4.34Å; F46-D64 HydrophobicContact CE2-CB 3.93Å
65T91.1Very high87.3Confident0 Ų047.9 Ų47.90%024%0.235CC..EExtended strand (participates in β ladder)trans-103.4150.1-174.673.90000112I12 V13 I14 K21 V43 G67 T75I12-T65 HydrophobicContact CD1-CG2 3.78Å; I12-T65 HydrophobicContact CG1-CG2 3.55Å; V13-T65 WeakPolarHBondContact O-CG2 3.28Å; V13-T65 PolarHBondContact O-OG1 3.06Å; I14-T65 HydrophobicContact CG2-CG2 4.23Å; K21-T65 WeakPolarHBondContact CE-O 3.39Å; V43-T65 HydrophobicContact CG1-CG2 4.28Å; V43-T65 HydrophobicContact CG2-CG2 4.49Å; T65-G67 PolarHBondContact O-N 3.43Å; T65-T75 HydrophobicContact CG2-CG2 3.88Å
66A86.3Confident87.2Confident0 Ų049.9 Ų49.90%022%0.223CC..PPolyproline II helixtrans-65.4128.4168.400000111.1T40 G42 Q68 F71T40-A66 WeakPolarHBondContact O-CB 3.39Å; G42-A66 VanDerWaalsContact O-CB 3.27Å; G42-A66 WeakPolarHBondContact O-CB 3.35Å; G42-A66 PolarHBondContact O-N 2.95Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; A66-F71 HydrophobicContact CB-CB 3.62Å; A66-F71 HydrophobicContact CB-CD2 3.72Å; A66-F71 HydrophobicContact CB-CG 3.99Å
67G76.8Confident86.9Confident10 Ų1049.7 Ų49.710%0.10324%0.236CC..  trans-86.51.1176.700000114.8G15 S17 K21 T65G15-G67 WeakPolarHBondContact O-CA 3.35Å; S17-G67 PolarHBondContact N-O 3.09Å; K21-G67 VanDerWaalsContact NZ-CA 3.3Å; T65-G67 PolarHBondContact O-N 3.43Å
68Q79.1Confident86.7Confident43 Ų4347.4 Ų47.420%0.20123%0.227CC..SBendtrans-83.2135.1177.5-60.4-179.642.900109.8A66 R70 F71A66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-R70 PolarHBondContact O-N 3.26Å; Q68-R70 VanDerWaalsContact O-N 3.12Å; Q68-F71 HydrophobicContact CB-CD2 3.94Å; Q68-F71 HydrophobicContact CB-CE2 4.44Å; Q68-F71 PolarHBondContact O-N 2.91Å
69E75.4Confident86.4Confident145 Ų14547.4 Ų47.468%0.67823%0.227SC*.G310 helixtrans-50-38.4178.165.7-151-17600113.9F71 R72E69-F71 PolarHBondContact O-N 3.08Å; E69-F71 VanDerWaalsContact O-N 3.08Å; E69-R72 WeakPolarHBondContact O-CB 3.4Å; E69-R72 PolarHBondContact O-N 3.39Å
70R75.6Confident86Confident184 Ų18452.3 Ų52.369%0.69424%0.244SC*.G310 helixtrans-62.3-17.2179.2-63.4-177.1-64.9178.90113.8Q68Q68-R70 PolarHBondContact O-N 3.26Å; Q68-R70 VanDerWaalsContact O-N 3.12Å
71F78.9Confident85.7Confident47 Ų4754 Ų5421%0.20625%0.253CS..G310 helixtrans-109.37.3177.8-58.3-57.2000113.3V41 A66 Q68 E69 S73 I74 T75V41-F71 HydrophobicContact CG1-CE1 4.19Å; V41-F71 HydrophobicContact CG1-CZ 3.95Å; A66-F71 HydrophobicContact CB-CB 3.62Å; A66-F71 HydrophobicContact CB-CD2 3.72Å; A66-F71 HydrophobicContact CB-CG 3.99Å; Q68-F71 HydrophobicContact CB-CD2 3.94Å; Q68-F71 HydrophobicContact CB-CE2 4.44Å; Q68-F71 PolarHBondContact O-N 2.91Å; E69-F71 PolarHBondContact O-N 3.08Å; E69-F71 VanDerWaalsContact O-N 3.08Å; F71-S73 VanDerWaalsContact C-N 3.28Å; F71-S73 PolarHBondContact O-N 3.15Å; F71-I74 HydrophobicContact CD1-CD1 4.01Å; F71-I74 WeakPolarHBondContact O-CB 3.42Å; F71-I74 PolarHBondContact O-N 3.29Å; F71-I74 VanDerWaalsContact O-N 3.12Å; F71-T75 PolarHBondContact O-N 3.18Å; F71-T75 PolarHBondContact O-OG1 3.17Å
72R78.9Confident85.7Confident58 Ų5852.5 Ų52.522%0.21925%0.247CC..Hα-helixtrans-59.9-34.5179.2-87.6-174.5170165.9-0.4113.3E69 I74 T75 R76 W103 E106E69-R72 WeakPolarHBondContact O-CB 3.4Å; E69-R72 PolarHBondContact O-N 3.39Å; R72-I74 VanDerWaalsContact C-N 3.27Å; R72-I74 PolarHBondContact O-N 3.27Å; R72-T75 WeakPolarHBondContact O-CB 3.23Å; R72-T75 PolarHBondContact O-N 3.37Å; R72-R76 WeakPolarHBondContact O-CG 3.45Å; R72-R76 PolarHBondContact O-N 3.2Å; R72-W103 HydrophobicContact CG-CH2 4.07Å; R72-W103 HydrophobicContact CG-CZ3 4.38Å; R72-E106 WeakPolarHBondContact CD-OE2 3.36Å
73S78.3Confident85.6Confident86 Ų8652.5 Ų52.560%0.60125%0.247SC*.Hα-helixtrans-59.7-37.517656.10000112.7F71F71-S73 VanDerWaalsContact C-N 3.28Å; F71-S73 PolarHBondContact O-N 3.15Å
74I79.5Confident85.7Confident69 Ų6950.6 Ų50.635%0.35424%0.239SC..Hα-helixtrans-68.8-45.3176.2-55.3177000109.6V43 F71 R72 R76 A77 Y78V43-I74 HydrophobicContact CG2-CG2 3.87Å; F71-I74 HydrophobicContact CD1-CD1 4.01Å; F71-I74 WeakPolarHBondContact O-CB 3.42Å; F71-I74 PolarHBondContact O-N 3.29Å; F71-I74 VanDerWaalsContact O-N 3.12Å; R72-I74 VanDerWaalsContact C-N 3.27Å; R72-I74 PolarHBondContact O-N 3.27Å; I74-R76 VanDerWaalsContact C-N 3.29Å; I74-R76 PolarHBondContact O-N 3.48Å; I74-A77 WeakPolarHBondContact O-CB 3.41Å; I74-A77 PolarHBondContact O-N 3.06Å; I74-Y78 HydrophobicContact CG2-CE2 4.16Å; I74-Y78 WeakPolarHBondContact O-CD2 3.43Å; I74-Y78 WeakPolarHBondContact O-CE2 3.22Å
75T82.3Confident85.9Confident0 Ų050.6 Ų50.60%024%0.239CC..Hα-helixtrans-58.1-40.7179.7-59.60000112.2I12 I14 T65 F71 R72 A77 Y78 Y79 W103I12-T75 HydrophobicContact CD1-CG2 4.44Å; I14-T75 HydrophobicContact CG2-CG2 4.16Å; T65-T75 HydrophobicContact CG2-CG2 3.88Å; F71-T75 PolarHBondContact O-N 3.18Å; F71-T75 PolarHBondContact O-OG1 3.17Å; R72-T75 WeakPolarHBondContact O-CB 3.23Å; R72-T75 PolarHBondContact O-N 3.37Å; T75-A77 PolarHBondContact O-N 3.06Å; T75-A77 VanDerWaalsContact O-N 3.15Å; T75-Y78 PolarHBondContact O-N 3.31Å; T75-Y79 HydrophobicContact CG2-CE1 4.03Å; T75-Y79 HydrophobicContact CG2-CE2 4.47Å; T75-W103 HydrophobicContact CG2-CZ3 4.39Å
76R84.8Confident86.2Confident104 Ų10450.6 Ų50.639%0.39224%0.239SC..Hα-helixtrans-57.3-31.4-179.3-72.7166.8-171.2-173.61.2114R72 I74 Y78 Y79 E106R72-R76 WeakPolarHBondContact O-CG 3.45Å; R72-R76 PolarHBondContact O-N 3.2Å; I74-R76 VanDerWaalsContact C-N 3.29Å; I74-R76 PolarHBondContact O-N 3.48Å; R76-Y78 PolarHBondContact O-N 3.46Å; R76-Y79 HydrophobicContact CB-CD2 4.24Å; R76-Y79 HydrophobicContact CB-CE2 4.32Å; R76-Y79 HydrophobicContact CG-CD2 4.18Å; R76-Y79 HydrophobicContact CG-CE2 3.84Å; R76-Y79 PolarHBondContact O-N 3.16Å; R76-E106 HydrophobicContact CG-CG 4.44Å; R76-E106 IonicContact CZ-OE2 2.88Å; R76-E106 VanDerWaalsContact CZ-OE2 3.24Å; R76-E106 IonicContact NE-OE2 2.61Å; R76-E106 PolarHBondContact NE-OE2 2.83Å; R76-E106 IonicContact NH2-OE2 2.74Å; R76-E106 PolarHBondContact NH2-OE2 3.33Å
77A85.3Confident86.8Confident70 Ų7050.6 Ų50.658%0.57924%0.239SC*.Hα-helixtrans-65-19.217800000113.4I74 T75I74-A77 WeakPolarHBondContact O-CB 3.41Å; I74-A77 PolarHBondContact O-N 3.06Å; T75-A77 PolarHBondContact O-N 3.06Å; T75-A77 VanDerWaalsContact O-N 3.15Å
78Y88.9Confident87.8Confident56 Ų5650.1 Ų50.122%0.2224%0.235CC..Hα-helixtrans-97.3-13.8-176.5-65.1-87.8000113.8V43 W63 I74 T75 R76 S82V43-Y78 HydrophobicContact CB-CD2 4.43Å; V43-Y78 HydrophobicContact CB-CE2 3.96Å; V43-Y78 HydrophobicContact CG1-CD2 4.39Å; V43-Y78 HydrophobicContact CG1-CE1 4.43Å; V43-Y78 HydrophobicContact CG1-CE2 4.28Å; V43-Y78 HydrophobicContact CG2-CD2 3.74Å; V43-Y78 HydrophobicContact CG2-CE2 3.49Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.49Å; W63-Y78 AromaticContact CD2-CD1 3.64Å; W63-Y78 HydrophobicContact CD2-CD1 3.64Å; W63-Y78 AromaticContact CD2-CE1 3.82Å; W63-Y78 HydrophobicContact CD2-CE1 3.82Å; W63-Y78 AromaticContact CE3-CD1 3.63Å; W63-Y78 HydrophobicContact CE3-CD1 3.63Å; W63-Y78 AromaticContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CG-CD1 4.12Å; W63-Y78 HydrophobicContact CH2-CD1 4.34Å; W63-Y78 AromaticContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CH2-CE1 3.65Å; W63-Y78 HydrophobicContact CZ2-CD1 4.4Å; W63-Y78 HydrophobicContact CZ2-CE1 4.14Å; W63-Y78 AromaticContact CZ3-CD1 3.98Å; W63-Y78 HydrophobicContact CZ3-CD1 3.98Å; W63-Y78 AromaticContact CZ3-CE1 3.25Å; W63-Y78 HydrophobicContact CZ3-CE1 3.25Å; W63-Y78 AromaticContact CZ3-CZ 3.97Å; I74-Y78 HydrophobicContact CG2-CE2 4.16Å; I74-Y78 WeakPolarHBondContact O-CD2 3.43Å; I74-Y78 WeakPolarHBondContact O-CE2 3.22Å; T75-Y78 PolarHBondContact O-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.46Å; Y78-S82 PolarHBondContact O-OG 3.08Å
79Y90.9Very high88.8Confident0 Ų048.1 Ų48.10%023%0.225CC..Hα-helixtrans-62.2-51.9178.1-66.8-40.5000112.2I12 I14 T75 R76 N81 S82 E106 A107 H110 I116I12-Y79 HydrophobicContact CD1-CD1 3.66Å; I12-Y79 HydrophobicContact CD1-CE1 3.83Å; I14-Y79 HydrophobicContact CD1-CE1 4.19Å; I14-Y79 HydrophobicContact CG2-CE1 3.85Å; T75-Y79 HydrophobicContact CG2-CE1 4.03Å; T75-Y79 HydrophobicContact CG2-CE2 4.47Å; R76-Y79 HydrophobicContact CB-CD2 4.24Å; R76-Y79 HydrophobicContact CB-CE2 4.32Å; R76-Y79 HydrophobicContact CG-CD2 4.18Å; R76-Y79 HydrophobicContact CG-CE2 3.84Å; R76-Y79 PolarHBondContact O-N 3.16Å; Y79-N81 PolarHBondContact O-N 3.17Å; Y79-S82 PolarHBondContact O-N 3.37Å; Y79-E106 HydrophobicContact CE2-CG 4.04Å; Y79-E106 PolarHBondContact OH-OE1 2.73Å; Y79-A107 HydrophobicContact CD1-CB 4.1Å; Y79-A107 HydrophobicContact CE1-CB 3.96Å; Y79-A107 HydrophobicContact CG-CB 4.49Å; Y79-H110 HydrophobicContact CD2-CB 3.67Å; Y79-H110 HydrophobicContact CG-CB 4.34Å; Y79-I116 HydrophobicContact CD1-CD1 4.41Å
80R89.9Confident89.9Confident153 Ų15341.5 Ų41.558%0.57719%0.194SC*.THydrogen-bonded Turntrans-50.7-34.7-175.1179.4175.4176.9153.71.4114W186R80-W186 VanDerWaalsContact O-CD1 3.25Å; R80-W186 PolarHBondContact O-NE1 3.09Å
81N92.6Very high91Very high36 Ų3632.7 Ų32.719%0.19316%0.161CC..THydrogen-bonded Turntrans-99.84.5-174.1-80.4-35.5000113.7R10 Y79 E187 G188R10-N81 WeakPolarHBondContact CB-O 3.36Å; R10-N81 VanDerWaalsContact CD-O 3.25Å; R10-N81 WeakPolarHBondContact CD-O 3.35Å; R10-N81 VanDerWaalsContact NH1-CB 3.33Å; Y79-N81 PolarHBondContact O-N 3.17Å; N81-E187 HydrophobicContact CB-CB 3.95Å; N81-E187 CarbonylContact O-C 3.58Å; N81-E187 PolarHBondContact OD1-N 3.21Å; N81-G188 WeakPolarHBondContact O-CA 3.45Å; N81-G188 PolarHBondContact O-N 3.24Å
82S96Very high91.9Very high1 Ų131.4 Ų31.41%0.00716%0.157CC..  trans-93.8139.4178.7-60.50000110.3R10 Y78 Y79 I116R10-S82 WeakPolarHBondContact O-CA 3.43Å; Y78-S82 PolarHBondContact O-OG 3.08Å; Y79-S82 PolarHBondContact O-N 3.37Å; S82-I116 WeakPolarHBondContact O-CG1 3.33Å
83V97.4Very high92.8Very high0 Ų031 Ų310%016%0.159CC..SBendtrans-96.5-29.1171.763.60000111.7F9 R10 V117 I171 I180 W186 G188 V189F9-V83 HydrophobicContact CB-CG1 3.86Å; F9-V83 HydrophobicContact CD1-CG1 4.42Å; F9-V83 HydrophobicContact CG-CG1 4.24Å; R10-V83 WeakPolarHBondContact O-CG1 3.5Å; R10-V83 PolarHBondContact O-N 3.1Å; V83-V117 PolarHBondContact O-N 3.03Å; V83-I171 HydrophobicContact CG1-CD1 4.28Å; V83-I171 HydrophobicContact CG1-CG2 4.06Å; V83-I171 HydrophobicContact CG2-CG2 3.62Å; V83-I180 HydrophobicContact CG2-CD1 3.85Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V83-W186 HydrophobicContact CB-CH2 3.96Å; V83-W186 HydrophobicContact CB-CZ2 4.08Å; V83-W186 HydrophobicContact CG2-CH2 3.84Å; V83-W186 HydrophobicContact CG2-CZ2 4.38Å; V83-G188 WeakPolarHBondContact CG1-O 3.15Å; V83-V189 HydrophobicContact CB-CG2 3.94Å; V83-V189 HydrophobicContact CG1-CG2 4.12Å; V83-V189 HydrophobicContact CG2-CG2 3.62Å
84G97.8Very high93.8Very high0 Ų031.1 Ų31.10%015%0.146CC..EExtended strand (participates in β ladder)trans-135.1157.4-178.900000112.1R10 L11 I12 I116 V117R10-G84 PolarHBondContact O-N 2.68Å; L11-G84 VanDerWaalsContact CA-O 3.27Å; L11-G84 WeakPolarHBondContact CA-O 3.45Å; I12-G84 PolarHBondContact N-O 2.91Å; G84-I116 VanDerWaalsContact C-CG2 3.4Å; G84-V117 CarbonylContact C-O 3.53Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.42Å
85G97.4Very high94.7Very high0 Ų035.7 Ų35.70%016%0.159CC..EExtended strand (participates in β ladder)trans-147.8144.1177.600000113.7I12 V117 F118 L119I12-G85 CarbonylContact O-C 3.56Å; I12-G85 WeakPolarHBondContact O-CA 3.19Å; G85-V117 PolarHBondContact N-O 3.25Å; G85-F118 WeakPolarHBondContact O-CA 3.42Å; G85-F118 WeakPolarHBondContact O-CD1 3.39Å; G85-L119 PolarHBondContact O-N 3.17Å
86L98.6Very high95.4Very high0 Ų035.7 Ų35.70%016%0.16CC..EExtended strand (participates in β ladder)trans-100.8119.3166.2-61.892.1000107.7I12 V13 I14 L24 L88 V121 A163 F164 L167I12-L86 PolarHBondContact O-N 2.78Å; V13-L86 WeakPolarHBondContact CA-O 3.5Å; V13-L86 HydrophobicContact CG1-CB 4.32Å; V13-L86 HydrophobicContact CG2-CB 4.4Å; V13-L86 HydrophobicContact CG2-CD1 4.02Å; I14-L86 PolarHBondContact N-O 3.29Å; L24-L86 HydrophobicContact CD2-CD2 4.21Å; L86-L88 HydrophobicContact CB-CD1 3.6Å; L86-V121 HydrophobicContact CB-CG2 4.2Å; L86-V121 HydrophobicContact CD2-CG2 4.08Å; L86-A163 HydrophobicContact CD2-CB 4.24Å; L86-F164 HydrophobicContact CD1-CD1 3.96Å; L86-F164 HydrophobicContact CD1-CE1 3.59Å; L86-F164 HydrophobicContact CD1-CZ 4.27Å; L86-F164 HydrophobicContact CD2-CD1 4.34Å; L86-F164 HydrophobicContact CD2-CE1 4.06Å; L86-F164 HydrophobicContact CD2-CE2 4.34Å; L86-F164 HydrophobicContact CD2-CZ 4.05Å; L86-L167 HydrophobicContact CD1-CD2 3.79Å; L86-L167 HydrophobicContact CG-CD2 4.06Å
87L98.2Very high96.1Very high0 Ų031.6 Ų31.60%014%0.144CC..EExtended strand (participates in β ladder)trans-101.1104.8176.6176.753.1000108.5I14 V100 W103 L104 F118 L119 L120 V121 M147I14-L87 HydrophobicContact CD1-CD1 4.05Å; I14-L87 HydrophobicContact CG1-CB 4.44Å; I14-L87 HydrophobicContact CG1-CD1 3.84Å; L87-V100 HydrophobicContact CD2-CG1 3.65Å; L87-V100 HydrophobicContact CG-CG1 4.17Å; L87-W103 HydrophobicContact CD1-CB 3.57Å; L87-W103 HydrophobicContact CD1-CG 4.17Å; L87-L104 HydrophobicContact CD2-CB 4.11Å; L87-L104 HydrophobicContact CD2-CD1 4.47Å; L87-F118 HydrophobicContact CB-CD1 4.17Å; L87-L119 PolarHBondContact N-O 3.09Å; L87-L120 HydrophobicContact CB-CD1 4.47Å; L87-L120 HydrophobicContact CD2-CD1 4.4Å; L87-L120 HydrophobicContact CG-CD1 4.14Å; L87-V121 PolarHBondContact O-N 3.41Å; L87-M147 HydrophobicContact CD2-CE 4.44Å
88L98.5Very high96.7Very high1 Ų134 Ų341%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-96.6139.7-173.2-81.767.5000111.8V13 I14 G15 V19 K21 L24 L86 V121 H123V13-L88 HydrophobicContact CG1-CD1 3.59Å; V13-L88 HydrophobicContact CG1-CD2 4.34Å; I14-L88 PolarHBondContact O-N 3.39Å; G15-L88 WeakPolarHBondContact CA-O 3.46Å; V19-L88 HydrophobicContact CG2-CB 3.79Å; K21-L88 HydrophobicContact CB-CD2 4.44Å; K21-L88 HydrophobicContact CG-CB 4.39Å; K21-L88 HydrophobicContact CG-CD2 4.01Å; L24-L88 HydrophobicContact CB-CD2 4.34Å; L24-L88 HydrophobicContact CD2-CD1 4.19Å; L24-L88 HydrophobicContact CD2-CD2 3.78Å; L24-L88 HydrophobicContact CD2-CG 4.31Å; L86-L88 HydrophobicContact CB-CD1 3.6Å; L88-V121 WeakPolarHBondContact CA-O 3.47Å; L88-V121 HydrophobicContact CD1-CB 3.94Å; L88-V121 HydrophobicContact CD1-CG1 4.38Å; L88-V121 HydrophobicContact CD1-CG2 4.16Å; L88-V121 HydrophobicContact CG-CB 3.88Å; L88-V121 HydrophobicContact CG-CG1 4.02Å; L88-H123 HydrophobicContact CD2-CB 4.44Å
89F98.8Very high97.1Very high0 Ų032.8 Ų32.80%014%0.141CC..EExtended strand (participates in β ladder)trans-128.5164.5157.169.4-87.8000109.4I91 F97 V100 L120 V121 H123 V133 A138 Y149F89-I91 HydrophobicContact CE2-CG2 4.03Å; F89-F97 HydrophobicContact CB-CB 4.36Å; F89-F97 AromaticContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CB 3.8Å; F89-F97 AromaticContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CG 4.27Å; F89-F97 AromaticContact CE1-CD2 3.74Å; F89-F97 HydrophobicContact CE1-CD2 3.74Å; F89-F97 HydrophobicContact CE1-CE2 4.11Å; F89-F97 HydrophobicContact CE2-CB 4.29Å; F89-F97 AromaticContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CG 4.33Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 AromaticContact CG-CD2 3.94Å; F89-F97 HydrophobicContact CG-CD2 3.94Å; F89-F97 AromaticContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CE2 4.06Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 4.01Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F89-L120 HydrophobicContact CD1-CD1 3.94Å; F89-L120 HydrophobicContact CD1-CG 4.32Å; F89-L120 HydrophobicContact CE1-CD1 4.05Å; F89-L120 HydrophobicContact CE1-CD2 4.07Å; F89-L120 HydrophobicContact CE1-CG 3.93Å; F89-V121 WeakPolarHBondContact CD1-O 3.22Å; F89-V121 PolarHBondContact N-O 3.35Å; F89-H123 WeakPolarHBondContact O-CB 2.83Å; F89-H123 PolarHBondContact O-N 3.41Å; F89-V133 HydrophobicContact CE2-CB 3.98Å; F89-V133 HydrophobicContact CE2-CG1 3.74Å; F89-V133 HydrophobicContact CE2-CG2 4.24Å; F89-V133 HydrophobicContact CZ-CG1 4.14Å; F89-A138 HydrophobicContact CE1-CB 4.31Å; F89-A138 HydrophobicContact CZ-CB 3.76Å; F89-Y149 HydrophobicContact CE1-CD2 4.49Å; F89-Y149 AromaticContact CE1-CE2 3.68Å; F89-Y149 HydrophobicContact CE1-CE2 3.68Å; F89-Y149 AromaticContact CZ-CE2 3.71Å; F89-Y149 HydrophobicContact CZ-CE2 3.71Å
90D98.6Very high97.4Very high6 Ų632.9 Ų32.93%0.03214%0.142CC..EExtended strand (participates in β ladder)trans-98.5123.9175.8174.3-2.2000109.2V19 T92 N93 S96 K124V19-D90 HydrophobicContact CB-CB 4.18Å; V19-D90 HydrophobicContact CG1-CB 4.19Å; D90-T92 PolarHBondContact O-N 3.47Å; D90-T92 VanDerWaalsContact O-N 3.12Å; D90-T92 PolarHBondContact OD1-N 3.21Å; D90-T92 PolarHBondContact OD1-OG1 3.37Å; D90-T92 PolarHBondContact OD2-OG1 3.04Å; D90-N93 HydrophobicContact CB-CB 3.98Å; D90-N93 CarbonylContact O-C 3.59Å; D90-N93 PolarHBondContact O-N 3.45Å; D90-S96 PolarHBondContact N-OG 2.98Å; D90-S96 PolarHBondContact O-OG 2.96Å; D90-K124 WeakPolarHBondContact OD2-CD 3.29Å; D90-K124 VanDerWaalsContact OD2-CE 3.28Å; D90-K124 WeakPolarHBondContact OD2-CE 3.43Å; D90-K124 IonicContact OD2-NZ 3.45Å; D90-K124 PolarHBondContact OD2-NZ 3.41Å
91I98.8Very high97.7Very high0 Ų029.4 Ų29.40%013%0.132CC..THydrogen-bonded Turntrans-63.1-20.4-177.367.3149.9000112.8F89 H123 K124 C125 R131 Q132 V133F89-I91 HydrophobicContact CE2-CG2 4.03Å; I91-H123 WeakPolarHBondContact CG1-O 3.32Å; I91-H123 PolarHBondContact N-O 3.45Å; I91-K124 WeakPolarHBondContact CG1-O 3.41Å; I91-C125 HydrophobicContact CD1-CB 4.38Å; I91-R131 HydrophobicContact CD1-CB 4.3Å; I91-R131 HydrophobicContact CD1-CG 4.35Å; I91-Q132 PolarHBondContact O-N 2.76Å; I91-V133 PolarHBondContact O-N 3.43Å
92T98.6Very high97.8Very high20 Ų2031.5 Ų31.512%0.12314%0.143CC..THydrogen-bonded Turntrans-93.2617779.30000112.5D90 L127 Q130 Q132D90-T92 PolarHBondContact O-N 3.47Å; D90-T92 VanDerWaalsContact O-N 3.12Å; D90-T92 PolarHBondContact OD1-N 3.21Å; D90-T92 PolarHBondContact OD1-OG1 3.37Å; D90-T92 PolarHBondContact OD2-OG1 3.04Å; T92-L127 HydrophobicContact CG2-CB 3.53Å; T92-L127 HydrophobicContact CG2-CD1 4.01Å; T92-L127 HydrophobicContact CG2-CG 4.43Å; T92-Q130 WeakPolarHBondContact CA-O 3.49Å; T92-Q130 WeakPolarHBondContact CB-O 3.28Å; T92-Q130 HydrophobicContact CG2-CB 3.76Å; T92-Q132 PolarHBondContact O-NE2 3.23Å; T92-Q132 PolarHBondContact O-OE1 3.14Å
93N98.4Very high97.7Very high48 Ų4831.5 Ų31.526%0.25714%0.143SC..  trans-134.395.3-178.8-179.9-7000110.7D90 R95 S96D90-N93 HydrophobicContact CB-CB 3.98Å; D90-N93 CarbonylContact O-C 3.59Å; D90-N93 PolarHBondContact O-N 3.45Å; N93-R95 PolarHBondContact O-N 3.39Å; N93-R95 WeakPolarHBondContact OD1-CB 3.3Å; N93-R95 PolarHBondContact OD1-N 2.92Å; N93-R95 VanDerWaalsContact OD1-N 3.16Å; N93-S96 PolarHBondContact O-N 2.81Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 3.2Å; N93-S96 PolarHBondContact OD1-N 3.37Å
94R98.3Very high97.6Very high89 Ų8931.6 Ų31.634%0.33614%0.143SC..Hα-helixtrans-52.9-38.3179.7-171.374.1-177.2-175.611.4113.6S96 F97 Q98 Q132 E137R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 2.92Å; R94-F97 WeakPolarHBondContact O-CB 3.4Å; R94-F97 PolarHBondContact O-N 2.69Å; R94-Q98 WeakPolarHBondContact O-CG 3.45Å; R94-Q98 PolarHBondContact O-N 2.71Å; R94-Q132 HydrophobicContact CB-CB 4.22Å; R94-Q132 WeakPolarHBondContact CD-O 3.29Å; R94-Q132 PolarHBondContact NH1-O 3.24Å; R94-E137 IonicContact CZ-OE1 3.78Å; R94-E137 IonicContact CZ-OE2 2.71Å; R94-E137 IonicContact NH1-OE1 3.2Å; R94-E137 PolarHBondContact NH1-OE1 3.35Å; R94-E137 IonicContact NH1-OE2 2.65Å; R94-E137 PolarHBondContact NH1-OE2 3.2Å; R94-E137 IonicContact NH2-OE2 2.97Å; R94-E137 PolarHBondContact NH2-OE2 3.46Å
95R98Very high97.3Very high165 Ų16535.5 Ų35.562%0.62316%0.161SC*.Hα-helixtrans-63.4-40.7-178.8-177.2-179.7176.5-169.9-3.7111.3N93 F97 Q98 N99N93-R95 PolarHBondContact O-N 3.39Å; N93-R95 WeakPolarHBondContact OD1-CB 3.3Å; N93-R95 PolarHBondContact OD1-N 2.92Å; N93-R95 VanDerWaalsContact OD1-N 3.16Å; R95-F97 PolarHBondContact O-N 2.97Å; R95-Q98 PolarHBondContact O-N 3.25Å; R95-N99 VanDerWaalsContact O-CG 3.3Å; R95-N99 PolarHBondContact O-N 2.82Å
96S98.4Very high97Very high1 Ų136.3 Ų36.31%0.00717%0.165CC..Hα-helixtrans-62.5-32.7177.973.10000112.6D90 N93 R94D90-S96 PolarHBondContact N-OG 2.98Å; D90-S96 PolarHBondContact O-OG 2.96Å; N93-S96 PolarHBondContact O-N 2.81Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 3.2Å; N93-S96 PolarHBondContact OD1-N 3.37Å; R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 2.92Å
97F98.6Very high96.7Very high17 Ų1736.3 Ų36.38%0.07517%0.165CC..Hα-helixtrans-72.9-39.9174178.4-111.9000112.7F89 R94 R95 N99 V100 V133 E137 A138 L141F89-F97 HydrophobicContact CB-CB 4.36Å; F89-F97 AromaticContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD1-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CB 3.8Å; F89-F97 AromaticContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CG 4.27Å; F89-F97 AromaticContact CE1-CD2 3.74Å; F89-F97 HydrophobicContact CE1-CD2 3.74Å; F89-F97 HydrophobicContact CE1-CE2 4.11Å; F89-F97 HydrophobicContact CE2-CB 4.29Å; F89-F97 AromaticContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CG 4.33Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 AromaticContact CG-CD2 3.94Å; F89-F97 HydrophobicContact CG-CD2 3.94Å; F89-F97 AromaticContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CD2 3.67Å; F89-F97 HydrophobicContact CZ-CE2 4.06Å; R94-F97 WeakPolarHBondContact O-CB 3.4Å; R94-F97 PolarHBondContact O-N 2.69Å; R95-F97 PolarHBondContact O-N 2.97Å; F97-N99 VanDerWaalsContact C-N 3.25Å; F97-N99 PolarHBondContact O-N 3.17Å; F97-V100 HydrophobicContact CD2-CG2 4.35Å; F97-V100 VanDerWaalsContact O-CB 3.24Å; F97-V100 WeakPolarHBondContact O-CB 3.47Å; F97-V100 VanDerWaalsContact O-CG2 3.25Å; F97-V100 WeakPolarHBondContact O-CG2 3.44Å; F97-V100 PolarHBondContact O-N 2.86Å; F97-V133 HydrophobicContact CB-CG1 4.34Å; F97-V133 HydrophobicContact CB-CG2 3.64Å; F97-V133 HydrophobicContact CD1-CG1 3.81Å; F97-V133 HydrophobicContact CD1-CG2 4.11Å; F97-V133 HydrophobicContact CD2-CG1 3.83Å; F97-V133 HydrophobicContact CE1-CG1 3.98Å; F97-V133 HydrophobicContact CE2-CG1 4Å; F97-V133 HydrophobicContact CG-CB 4.49Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.9Å; F97-V133 HydrophobicContact CZ-CG1 4.07Å; F97-E137 HydrophobicContact CE1-CG 4.01Å; F97-E137 HydrophobicContact CZ-CG 4.04Å; F97-A138 HydrophobicContact CE2-CB 3.96Å; F97-A138 HydrophobicContact CZ-CB 4.4Å; F97-L141 HydrophobicContact CD2-CD2 4.18Å; F97-L141 HydrophobicContact CE1-CD2 4.47Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; 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 3.99Å; F97-L141 HydrophobicContact CZ-CD2 3.62Å; F97-L141 HydrophobicContact CZ-CG 4.38Å
98Q97.9Very high96.4Very high120 Ų12041.4 Ų41.456%0.56119%0.185SC*.Hα-helixtrans-61.3-36.4174.7-70.5169.7-28.500111.9R94 R95 V100R94-Q98 WeakPolarHBondContact O-CG 3.45Å; R94-Q98 PolarHBondContact O-N 2.71Å; R95-Q98 PolarHBondContact O-N 3.25Å; Q98-V100 PolarHBondContact O-N 2.85Å
99N97.4Very high95.9Very high32 Ų3244.8 Ų44.817%0.17121%0.208CC..THydrogen-bonded Turntrans-75.1-7179.3-67.7-11000114D16 R95 F97 H101 D102 W103D16-N99 PolarHBondContact OD1-ND2 3.31Å; D16-N99 PolarHBondContact OD2-ND2 3.48Å; R95-N99 VanDerWaalsContact O-CG 3.3Å; R95-N99 PolarHBondContact O-N 2.82Å; F97-N99 VanDerWaalsContact C-N 3.25Å; F97-N99 PolarHBondContact O-N 3.17Å; N99-H101 PolarHBondContact O-N 2.87Å; N99-D102 PolarHBondContact O-N 2.95Å; N99-W103 VanDerWaalsContact O-CD1 3.22Å; N99-W103 PolarHBondContact O-N 2.99Å; N99-W103 VanDerWaalsContact O-N 3.15Å
100V97.6Very high95.3Very high1 Ų148.3 Ų48.31%0.00622%0.224CC..Hα-helixtrans-55.7-40.4177.6167.70000111.1L87 F89 F97 Q98 W103 L104 L120 L141L87-V100 HydrophobicContact CD2-CG1 3.65Å; L87-V100 HydrophobicContact CG-CG1 4.17Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 4.01Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F97-V100 HydrophobicContact CD2-CG2 4.35Å; F97-V100 VanDerWaalsContact O-CB 3.24Å; F97-V100 WeakPolarHBondContact O-CB 3.47Å; F97-V100 VanDerWaalsContact O-CG2 3.25Å; F97-V100 WeakPolarHBondContact O-CG2 3.44Å; F97-V100 PolarHBondContact O-N 2.86Å; Q98-V100 PolarHBondContact O-N 2.85Å; V100-W103 PolarHBondContact O-N 2.85Å; V100-L104 WeakPolarHBondContact O-CB 3.18Å; V100-L104 PolarHBondContact O-N 2.71Å; V100-L120 HydrophobicContact CG1-CD1 3.63Å; V100-L120 HydrophobicContact CG2-CD1 4.11Å; V100-L141 HydrophobicContact CB-CD2 4.11Å; V100-L141 HydrophobicContact CG1-CD2 3.8Å
101H95.1Very high94.7Very high80 Ų8048.4 Ų48.437%0.3723%0.225SC..Hα-helixtrans-58.9-49.9177.617653.1000111.7N99 W103 L104 E105 Y145N99-H101 PolarHBondContact O-N 2.87Å; H101-W103 VanDerWaalsContact C-N 3.32Å; H101-W103 PolarHBondContact O-N 3.22Å; H101-L104 PolarHBondContact O-N 3.32Å; H101-L104 VanDerWaalsContact O-N 3.14Å; H101-E105 WeakPolarHBondContact CE1-CG 3.42Å; H101-E105 IonicContact CE1-OE1 2.75Å; H101-E105 WeakPolarHBondContact O-CG 3.42Å; H101-E105 PolarHBondContact O-N 3.29Å; H101-Y145 AromaticContact ND1-CZ 3.71Å; H101-Y145 PolarHBondContact ND1-OH 3.43Å
102D94.9Very high93.7Very high80 Ų8055.6 Ų55.643%0.42826%0.259SS..Hα-helixtrans-62.4-40.4-177.8-61.8-20.6000111.9N99 E106N99-D102 PolarHBondContact O-N 2.95Å; D102-E106 VanDerWaalsContact O-CB 3.28Å; D102-E106 WeakPolarHBondContact O-CB 3.26Å; D102-E106 PolarHBondContact O-N 2.99Å
103W95.2Very high92.7Very high2 Ų259.8 Ų59.81%0.00829%0.286CS..Hα-helixtrans-63.6-41175.5-80.3109.2000112.3I14 G15 D16 R72 T75 L87 N99 V100 H101 A107I14-W103 HydrophobicContact CB-CE3 4.11Å; I14-W103 HydrophobicContact CB-CZ3 4.4Å; I14-W103 HydrophobicContact CD1-CB 4.41Å; I14-W103 HydrophobicContact CD1-CE3 4.41Å; G15-W103 VanDerWaalsContact C-CE2 3.47Å; G15-W103 VanDerWaalsContact O-CZ2 3.29Å; G15-W103 WeakPolarHBondContact O-CZ2 3.49Å; D16-W103 PolarHBondContact OD1-NE1 3.44Å; R72-W103 HydrophobicContact CG-CH2 4.07Å; R72-W103 HydrophobicContact CG-CZ3 4.38Å; T75-W103 HydrophobicContact CG2-CZ3 4.39Å; L87-W103 HydrophobicContact CD1-CB 3.57Å; L87-W103 HydrophobicContact CD1-CG 4.17Å; N99-W103 VanDerWaalsContact O-CD1 3.22Å; N99-W103 PolarHBondContact O-N 2.99Å; N99-W103 VanDerWaalsContact O-N 3.15Å; V100-W103 PolarHBondContact O-N 2.85Å; H101-W103 VanDerWaalsContact C-N 3.32Å; H101-W103 PolarHBondContact O-N 3.22Å; W103-A107 WeakPolarHBondContact O-CB 3.34Å; W103-A107 PolarHBondContact O-N 3.04Å
104L93.8Very high91.8Very high1 Ų158.8 Ų58.81%0.00528%0.28CS..Hα-helixtrans-68-45.8179.6-175.464.1000111.8L87 V100 H101 A107 R108 F118 Y145 M147L87-L104 HydrophobicContact CD2-CB 4.11Å; L87-L104 HydrophobicContact CD2-CD1 4.47Å; V100-L104 WeakPolarHBondContact O-CB 3.18Å; V100-L104 PolarHBondContact O-N 2.71Å; H101-L104 PolarHBondContact O-N 3.32Å; H101-L104 VanDerWaalsContact O-N 3.14Å; L104-A107 PolarHBondContact O-N 3.15Å; L104-R108 WeakPolarHBondContact O-CB 3.49Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.18Å; L104-F118 HydrophobicContact CD1-CD2 3.76Å; L104-F118 HydrophobicContact CD1-CE2 4.08Å; L104-F118 HydrophobicContact CD1-CG 4.31Å; L104-Y145 HydrophobicContact CD2-CD1 3.41Å; L104-Y145 VanDerWaalsContact CD2-CD1 3.41Å; L104-Y145 HydrophobicContact CD2-CD2 3.73Å; L104-Y145 HydrophobicContact CD2-CE1 3.89Å; L104-Y145 HydrophobicContact CD2-CE2 4.15Å; L104-Y145 HydrophobicContact CD2-CG 3.34Å; L104-M147 HydrophobicContact CD1-SD 4.13Å; L104-M147 HydrophobicContact CD2-CE 4.03Å; L104-M147 HydrophobicContact CD2-SD 4.45Å
105E92.8Very high91.2Very high82 Ų8258.5 Ų58.538%0.38329%0.292SS..Hα-helixtrans-65.6-39.4177.7-69-56133.400111.8H101 R108 S109H101-E105 WeakPolarHBondContact CE1-CG 3.42Å; H101-E105 IonicContact CE1-OE1 2.75Å; H101-E105 WeakPolarHBondContact O-CG 3.42Å; H101-E105 PolarHBondContact O-N 3.29Å; E105-R108 PolarHBondContact O-N 2.98Å; E105-R108 IonicContact OE1-NH1 3.78Å; E105-S109 PolarHBondContact O-N 3.2Å; E105-S109 PolarHBondContact O-OG 2.74Å
106E91.4Very high91Very high17 Ų1751.5 Ų51.58%0.07927%0.267CS..Hα-helixtrans-60.7-46.5173.2-171.4-175.87600111.2R72 R76 Y79 D102 S109 H110R72-E106 WeakPolarHBondContact CD-OE2 3.36Å; R76-E106 HydrophobicContact CG-CG 4.44Å; R76-E106 IonicContact CZ-OE2 2.88Å; R76-E106 VanDerWaalsContact CZ-OE2 3.24Å; R76-E106 IonicContact NE-OE2 2.61Å; R76-E106 PolarHBondContact NE-OE2 2.83Å; R76-E106 IonicContact NH2-OE2 2.74Å; R76-E106 PolarHBondContact NH2-OE2 3.33Å; Y79-E106 HydrophobicContact CE2-CG 4.04Å; Y79-E106 PolarHBondContact OH-OE1 2.73Å; D102-E106 VanDerWaalsContact O-CB 3.28Å; D102-E106 WeakPolarHBondContact O-CB 3.26Å; D102-E106 PolarHBondContact O-N 2.99Å; E106-S109 PolarHBondContact O-N 2.68Å; E106-S109 PolarHBondContact O-OG 3.49Å; E106-H110 PolarHBondContact O-ND1 3.02Å
107A91.9Very high91Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-62.1-48.9177.500000111.5I14 Y79 W103 L104 S109 H110 V111 F118I14-A107 HydrophobicContact CD1-CB 4.29Å; Y79-A107 HydrophobicContact CD1-CB 4.1Å; Y79-A107 HydrophobicContact CE1-CB 3.96Å; Y79-A107 HydrophobicContact CG-CB 4.49Å; W103-A107 WeakPolarHBondContact O-CB 3.34Å; W103-A107 PolarHBondContact O-N 3.04Å; L104-A107 PolarHBondContact O-N 3.15Å; A107-S109 VanDerWaalsContact C-N 3.25Å; A107-S109 PolarHBondContact O-N 2.76Å; A107-H110 PolarHBondContact O-N 3.13Å; A107-V111 VanDerWaalsContact O-CG1 3.23Å; A107-V111 WeakPolarHBondContact O-CG1 3.41Å; A107-V111 PolarHBondContact O-N 2.65Å; A107-F118 HydrophobicContact CB-CE2 3.87Å; A107-F118 HydrophobicContact CB-CZ 3.59Å
108R90.5Very high90.9Very high108 Ų10852 Ų5241%0.40827%0.27SS..Hα-helixtrans-59-33.8-178.5-76.5176.8173.9-174.6-3.8113.4L104 E105 H110 V111 Y145L104-R108 WeakPolarHBondContact O-CB 3.49Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.18Å; E105-R108 PolarHBondContact O-N 2.98Å; E105-R108 IonicContact OE1-NH1 3.78Å; R108-H110 VanDerWaalsContact C-N 3.29Å; R108-H110 PolarHBondContact O-N 2.84Å; R108-V111 WeakPolarHBondContact O-CG2 3.45Å; R108-Y145 PolarHBondContact NH2-O 2.79Å
109S89.8Confident90.9Very high72 Ų7246.4 Ų46.450%0.50324%0.244SC..Hα-helixtrans-73.6-15.1177.652.60000114.6E105 E106 A107E105-S109 PolarHBondContact O-N 3.2Å; E105-S109 PolarHBondContact O-OG 2.74Å; E106-S109 PolarHBondContact O-N 2.68Å; E106-S109 PolarHBondContact O-OG 3.49Å; A107-S109 VanDerWaalsContact C-N 3.25Å; A107-S109 PolarHBondContact O-N 2.76Å
110H86.3Confident91Very high73 Ų7344.9 Ų44.934%0.33824%0.235SC..Hα-helixtrans-116.71.4-172.9-68.579.7000114.5Y79 E106 A107 R108Y79-H110 HydrophobicContact CD2-CB 3.67Å; Y79-H110 HydrophobicContact CG-CB 4.34Å; E106-H110 PolarHBondContact O-ND1 3.02Å; A107-H110 PolarHBondContact O-N 3.13Å; R108-H110 VanDerWaalsContact C-N 3.29Å; R108-H110 PolarHBondContact O-N 2.84Å
111V85.3Confident91.1Very high9 Ų944.8 Ų44.86%0.05524%0.235CC..SBendtrans-94.9-9.9-176-69.20000114.3A107 R108 H114 I116A107-V111 VanDerWaalsContact O-CG1 3.23Å; A107-V111 WeakPolarHBondContact O-CG1 3.41Å; A107-V111 PolarHBondContact O-N 2.65Å; R108-V111 WeakPolarHBondContact O-CG2 3.45Å; V111-H114 CarbonylContact C-O 3.47Å; V111-H114 VanDerWaalsContact C-O 3.32Å; V111-H114 WeakPolarHBondContact CB-O 3.48Å; V111-H114 WeakPolarHBondContact CG2-O 3.46Å; V111-H114 CarbonylContact O-C 3.52Å; V111-H114 WeakPolarHBondContact O-CA 3.46Å; V111-H114 PolarHBondContact O-N 2.63Å; V111-I116 HydrophobicContact CB-CG1 4.42Å; V111-I116 HydrophobicContact CG1-CD1 3.29Å; V111-I116 HydrophobicContact CG1-CG1 3.52Å
112Q78.1Confident91.2Very high150 Ų15041 Ų4170%0.70122%0.218SC*.THydrogen-bonded Turntrans-55.5138.4-175.7-65.3-171.97.600112.3
113P76.4Confident91.4Very high108 Ų10837.4 Ų37.470%0.70120%0.198SC*.THydrogen-bonded Turncis-84.43.85.934.4-37000115.3
114H79.6Confident91.6Very high28 Ų2839.6 Ų39.613%0.1321%0.208CC..SBendtrans-96.1168.2-173.4-52.379.4000111.4V111 Q183 W186V111-H114 CarbonylContact C-O 3.47Å; V111-H114 VanDerWaalsContact C-O 3.32Å; V111-H114 WeakPolarHBondContact CB-O 3.48Å; V111-H114 WeakPolarHBondContact CG2-O 3.46Å; V111-H114 CarbonylContact O-C 3.52Å; V111-H114 WeakPolarHBondContact O-CA 3.46Å; V111-H114 PolarHBondContact O-N 2.63Å; H114-Q183 VanDerWaalsContact NE2-CD 3.25Å; H114-Q183 PolarHBondContact NE2-NE2 3.44Å; H114-Q183 PolarHBondContact NE2-OE1 3.25Å; H114-Q183 VanDerWaalsContact NE2-OE1 3.09Å; H114-W186 HydrophobicContact CB-CZ2 3.97Å; H114-W186 AromaticContact CD2-CD2 3.35Å; H114-W186 AromaticContact CD2-CE2 3.39Å; H114-W186 AromaticContact CD2-CE3 3.64Å; H114-W186 AromaticContact CD2-CG 3.82Å; H114-W186 AromaticContact CD2-CH2 3.98Å; H114-W186 AromaticContact CD2-CZ2 3.72Å; H114-W186 AromaticContact CD2-CZ3 3.94Å; H114-W186 AromaticContact CD2-NE1 3.83Å; H114-W186 AromaticContact CE1-CD1 3.71Å; H114-W186 AromaticContact CE1-CG 3.66Å; H114-W186 AromaticContact CG-CD2 4Å; H114-W186 AromaticContact CG-CE2 3.62Å; H114-W186 AromaticContact CG-CZ2 3.95Å; H114-W186 AromaticContact CG-NE1 3.67Å; H114-W186 AromaticContact ND1-CD1 3.83Å; H114-W186 AromaticContact ND1-NE1 3.84Å; H114-W186 AromaticContact NE2-CD1 3.85Å; H114-W186 AromaticContact NE2-CD2 3.4Å; H114-W186 AromaticContact NE2-CE2 3.88Å; H114-W186 AromaticContact NE2-CE3 3.78Å; H114-W186 AromaticContact NE2-CG 3.41Å
115S86.4Confident91.8Very high83 Ų8340.3 Ų40.358%0.5821%0.213SC*.  trans-118.3146.9169.465.30000110.3
116I94.1Very high92.1Very high18 Ų1837.9 Ų37.99%0.09220%0.202CC..  trans-94.7130.8172.2-66.7173.9000108.2I12 Y79 S82 G84 V111 F118I12-I116 HydrophobicContact CG2-CD1 4.35Å; Y79-I116 HydrophobicContact CD1-CD1 4.41Å; S82-I116 WeakPolarHBondContact O-CG1 3.33Å; G84-I116 VanDerWaalsContact C-CG2 3.4Å; V111-I116 HydrophobicContact CB-CG1 4.42Å; V111-I116 HydrophobicContact CG1-CD1 3.29Å; V111-I116 HydrophobicContact CG1-CG1 3.52Å; I116-F118 HydrophobicContact CB-CD2 3.97Å; I116-F118 HydrophobicContact CB-CE2 3.53Å; I116-F118 HydrophobicContact CB-CZ 3.95Å; I116-F118 HydrophobicContact CD1-CE2 4.22Å; I116-F118 HydrophobicContact CD1-CZ 3.94Å; I116-F118 HydrophobicContact CG1-CE2 4.46Å; I116-F118 HydrophobicContact CG2-CD1 4.11Å; I116-F118 HydrophobicContact CG2-CD2 3.73Å; I116-F118 HydrophobicContact CG2-CE1 3.88Å; I116-F118 HydrophobicContact CG2-CE2 3.5Å; I116-F118 VanDerWaalsContact CG2-CE2 3.5Å; I116-F118 HydrophobicContact CG2-CG 4.03Å; I116-F118 HydrophobicContact CG2-CZ 3.57Å; I116-F118 PolarHBondContact O-N 3.24Å
117V97.1Very high92.4Very high15 Ų1539.2 Ų39.29%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-76.7112.8168-1760000108.4V83 G84 G85 L167 E170 I171 L174 I180V83-V117 PolarHBondContact O-N 3.03Å; G84-V117 CarbonylContact C-O 3.53Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.42Å; G85-V117 PolarHBondContact N-O 3.25Å; V117-L167 HydrophobicContact CB-CD1 4.28Å; V117-L167 HydrophobicContact CG1-CD1 3.87Å; V117-L167 WeakPolarHBondContact O-CD1 3.16Å; V117-E170 HydrophobicContact CG1-CB 4.35Å; V117-E170 HydrophobicContact CG1-CG 3.99Å; V117-E170 WeakPolarHBondContact CG1-OE1 3.45Å; V117-I171 HydrophobicContact CB-CG1 3.97Å; V117-I171 HydrophobicContact CG1-CG1 4.3Å; V117-I171 HydrophobicContact CG2-CG1 4.05Å; V117-L174 HydrophobicContact CG2-CD1 3.58Å; V117-I180 HydrophobicContact CG2-CD1 3.85Å
118F97.8Very high92.7Very high14 Ų1444.2 Ų44.26%0.06123%0.233CC..EExtended strand (participates in β ladder)trans-103.6137.4-177.5-81.1-74.3000113.1I14 G85 L87 L104 A107 I116 M147I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.9Å; I14-F118 HydrophobicContact CG1-CE1 4.1Å; G85-F118 WeakPolarHBondContact O-CA 3.42Å; G85-F118 WeakPolarHBondContact O-CD1 3.39Å; L87-F118 HydrophobicContact CB-CD1 4.17Å; L104-F118 HydrophobicContact CD1-CD2 3.76Å; L104-F118 HydrophobicContact CD1-CE2 4.08Å; L104-F118 HydrophobicContact CD1-CG 4.31Å; A107-F118 HydrophobicContact CB-CE2 3.87Å; A107-F118 HydrophobicContact CB-CZ 3.59Å; I116-F118 HydrophobicContact CB-CD2 3.97Å; I116-F118 HydrophobicContact CB-CE2 3.53Å; I116-F118 HydrophobicContact CB-CZ 3.95Å; I116-F118 HydrophobicContact CD1-CE2 4.22Å; I116-F118 HydrophobicContact CD1-CZ 3.94Å; I116-F118 HydrophobicContact CG1-CE2 4.46Å; I116-F118 HydrophobicContact CG2-CD1 4.11Å; I116-F118 HydrophobicContact CG2-CD2 3.73Å; I116-F118 HydrophobicContact CG2-CE1 3.88Å; I116-F118 HydrophobicContact CG2-CE2 3.5Å; I116-F118 VanDerWaalsContact CG2-CE2 3.5Å; I116-F118 HydrophobicContact CG2-CG 4.03Å; I116-F118 HydrophobicContact CG2-CZ 3.57Å; I116-F118 PolarHBondContact O-N 3.24Å; F118-M147 HydrophobicContact CB-CG 4.02Å; F118-M147 HydrophobicContact CB-SD 3.42Å; F118-M147 WeakPolarHBondContact CB-SD 3.19Å; F118-M147 HydrophobicContact CG-SD 4.38Å
119L98.6Very high93Very high1 Ų144.3 Ų44.31%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-107.5122.9165.417860.3000108.9G85 L87 V121 R148 I150 A163 L167G85-L119 PolarHBondContact O-N 3.17Å; L87-L119 PolarHBondContact N-O 3.09Å; L119-V121 HydrophobicContact CD2-CG2 4.44Å; L119-V121 HydrophobicContact CG-CG2 4.14Å; L119-R148 HydrophobicContact CD1-CB 3.74Å; L119-I150 HydrophobicContact CD1-CG2 4.12Å; L119-I150 HydrophobicContact CD2-CG2 3.87Å; L119-I150 HydrophobicContact CG-CG2 4.04Å; L119-A163 HydrophobicContact CD2-CB 4.05Å; L119-A163 VanDerWaalsContact CD2-O 3.24Å; L119-A163 WeakPolarHBondContact CD2-O 3.26Å; L119-L167 HydrophobicContact CB-CD1 4.42Å; L119-L167 HydrophobicContact CD2-CB 4.3Å
120L98.8Very high93.4Very high0 Ų046.3 Ų46.30%026%0.258CS..EExtended strand (participates in β ladder)trans-78.5129.4173.1-174.967.7000109.4L87 F89 V100 A142 M147 R148 Y149 I150L87-L120 HydrophobicContact CB-CD1 4.47Å; L87-L120 HydrophobicContact CD2-CD1 4.4Å; L87-L120 HydrophobicContact CG-CD1 4.14Å; F89-L120 HydrophobicContact CD1-CD1 3.94Å; F89-L120 HydrophobicContact CD1-CG 4.32Å; F89-L120 HydrophobicContact CE1-CD1 4.05Å; F89-L120 HydrophobicContact CE1-CD2 4.07Å; F89-L120 HydrophobicContact CE1-CG 3.93Å; V100-L120 HydrophobicContact CG1-CD1 3.63Å; V100-L120 HydrophobicContact CG2-CD1 4.11Å; L120-A142 HydrophobicContact CB-CB 4.21Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; L120-M147 HydrophobicContact CB-CE 4.28Å; L120-R148 WeakPolarHBondContact CB-O 3.33Å; L120-R148 PolarHBondContact N-O 3.38Å; L120-Y149 HydrophobicContact CB-CD2 4.08Å; L120-Y149 HydrophobicContact CD2-CD2 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 4.36Å; L120-Y149 HydrophobicContact CG-CD2 3.82Å; L120-Y149 HydrophobicContact CG-CE2 4.34Å; L120-Y149 WeakPolarHBondContact O-CA 3.3Å; L120-Y149 WeakPolarHBondContact O-CD2 3.11Å; L120-I150 PolarHBondContact O-N 2.78Å
121V98.9Very high94Very high0 Ų045.5 Ų45.50%025%0.252CS..EExtended strand (participates in β ladder)trans-123.7114.8-175.4-177.70000110.7L24 L86 L87 L88 F89 L119 H123 I150 T152L24-V121 HydrophobicContact CD2-CG1 4.4Å; L86-V121 HydrophobicContact CB-CG2 4.2Å; L86-V121 HydrophobicContact CD2-CG2 4.08Å; L87-V121 PolarHBondContact O-N 3.41Å; L88-V121 WeakPolarHBondContact CA-O 3.47Å; L88-V121 HydrophobicContact CD1-CB 3.94Å; L88-V121 HydrophobicContact CD1-CG1 4.38Å; L88-V121 HydrophobicContact CD1-CG2 4.16Å; L88-V121 HydrophobicContact CG-CB 3.88Å; L88-V121 HydrophobicContact CG-CG1 4.02Å; F89-V121 WeakPolarHBondContact CD1-O 3.22Å; F89-V121 PolarHBondContact N-O 3.35Å; L119-V121 HydrophobicContact CD2-CG2 4.44Å; L119-V121 HydrophobicContact CG-CG2 4.14Å; V121-H123 PolarHBondContact O-N 2.75Å; V121-I150 CarbonylContact C-O 3.5Å; V121-I150 WeakPolarHBondContact CA-O 3.24Å; V121-I150 HydrophobicContact CG2-CG2 4.02Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.47Å
122G98.8Very high94.7Very high0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-84.3103.5166.700000109.7I150 E151 T152G122-I150 PolarHBondContact N-O 2.8Å; G122-E151 CarbonylContact O-C 3.48Å; G122-E151 WeakPolarHBondContact O-CA 3.08Å; G122-T152 PolarHBondContact O-N 2.84Å
123H98.8Very high95.6Very high5 Ų543 Ų432%0.02324%0.24CC..EExtended strand (participates in β ladder)trans-91.1162.2-176-158.357.8000112.6V19 L88 F89 I91 V121 T152 A154V19-H123 PolarHBondContact O-CD2 3.08Å; L88-H123 HydrophobicContact CD2-CB 4.44Å; F89-H123 WeakPolarHBondContact O-CB 2.83Å; F89-H123 PolarHBondContact O-N 3.41Å; I91-H123 WeakPolarHBondContact CG1-O 3.32Å; I91-H123 PolarHBondContact N-O 3.45Å; V121-H123 PolarHBondContact O-N 2.75Å; H123-T152 CarbonylContact C-O 3.43Å; H123-T152 WeakPolarHBondContact CA-O 3.27Å; H123-T152 PolarHBondContact ND1-O 3.15Å; H123-T152 PolarHBondContact ND1-OG1 2.98Å; H123-A154 PolarHBondContact CE1-N 3.11Å
124K98.4Very high96.7Very high48 Ų4841.1 Ų41.121%0.20923%0.226CC..  trans65.637-178.5-46.3-171.9-166.2163.50113.8T18 V19 D90 I91 D126 L127 T152T18-K124 WeakPolarHBondContact O-CE 3.33Å; T18-K124 PolarHBondContact O-NZ 2.97Å; V19-K124 WeakPolarHBondContact O-CE 3.35Å; D90-K124 WeakPolarHBondContact OD2-CD 3.29Å; D90-K124 VanDerWaalsContact OD2-CE 3.28Å; D90-K124 WeakPolarHBondContact OD2-CE 3.43Å; D90-K124 IonicContact OD2-NZ 3.45Å; D90-K124 PolarHBondContact OD2-NZ 3.41Å; I91-K124 WeakPolarHBondContact CG1-O 3.41Å; K124-D126 WeakPolarHBondContact CA-OD1 3.46Å; K124-D126 PolarHBondContact O-N 2.85Å; K124-L127 HydrophobicContact CB-CD1 4.19Å; K124-L127 HydrophobicContact CB-CG 4.49Å; K124-L127 HydrophobicContact CD-CD1 4.26Å; K124-L127 PolarHBondContact O-N 2.95Å; K124-T152 PolarHBondContact N-O 3.47Å
125C98.6Very high97.6Very high16 Ų1646 Ų4611%0.10824%0.244CC..G310 helixtrans-61.8-14.5176.866.50000114.1I91 L127 E128 E151 T152I91-C125 HydrophobicContact CD1-CB 4.38Å; C125-L127 PolarHBondContact O-N 3.44Å; C125-E128 PolarHBondContact O-N 2.9Å; C125-E151 HydrophobicContact CB-CB 3.99Å; C125-T152 PolarHBondContact N-O 3.09Å; C125-T152 PolarHBondContact SG-O 3.31Å
126D98.3Very high98.2Very high30 Ų3049.6 Ų49.616%0.1625%0.251CS..G310 helixtrans-67.8-9170.362.5-90.3000114.8K124 S153 R155 D156K124-D126 WeakPolarHBondContact CA-OD1 3.46Å; K124-D126 PolarHBondContact O-N 2.85Å; D126-S153 VanDerWaalsContact CB-OG 3.31Å; D126-S153 WeakPolarHBondContact CB-OG 3.32Å; D126-S153 WeakPolarHBondContact OD1-CB 3.44Å; D126-S153 PolarHBondContact OD1-OG 3.11Å; D126-R155 VanDerWaalsContact CB-NH2 3.35Å; D126-R155 PolarHBondContact O-NH2 3.03Å; D126-R155 VanDerWaalsContact O-NH2 3.09Å; D126-R155 IonicContact OD2-CZ 2.7Å; D126-R155 IonicContact OD2-NE 3.67Å; D126-R155 PolarHBondContact OD2-NE 3.47Å; D126-R155 IonicContact OD2-NH1 3.67Å; D126-R155 PolarHBondContact OD2-NH1 2.94Å; D126-R155 IonicContact OD2-NH2 3.29Å; D126-R155 PolarHBondContact OD2-NH2 2.88Å; D126-D156 HydrophobicContact CB-CB 4.42Å; D126-D156 VanDerWaalsContact CB-OD2 3.24Å; D126-D156 WeakPolarHBondContact CB-OD2 3.22Å
127L97.8Very high98.4Very high46 Ų4650.9 Ų50.924%0.24126%0.257CS..G310 helixtrans-106.641.4175.3-60.6178.5000112T92 K124 C125 A129 Q130T92-L127 HydrophobicContact CG2-CB 3.53Å; T92-L127 HydrophobicContact CG2-CD1 4.01Å; T92-L127 HydrophobicContact CG2-CG 4.43Å; K124-L127 HydrophobicContact CB-CD1 4.19Å; K124-L127 HydrophobicContact CB-CG 4.49Å; K124-L127 HydrophobicContact CD-CD1 4.26Å; K124-L127 PolarHBondContact O-N 2.95Å; C125-L127 PolarHBondContact O-N 3.44Å; L127-A129 PolarHBondContact O-N 2.91Å; L127-A129 VanDerWaalsContact O-N 3.11Å; L127-Q130 PolarHBondContact O-N 2.92Å
128E97.9Very high98.4Very high105 Ų10550.1 Ų50.149%0.49125%0.253SS..G310 helixtrans-50.8-39.1-175.9-171.859.5-151.900113.8C125 Q130 R131C125-E128 PolarHBondContact O-N 2.9Å; E128-Q130 PolarHBondContact O-N 3.38Å; E128-Q130 VanDerWaalsContact O-N 3.11Å; E128-R131 VanDerWaalsContact CD-NE 3.26Å; E128-R131 WeakPolarHBondContact O-CB 3.31Å; E128-R131 PolarHBondContact O-N 3.42Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 IonicContact OE1-CZ 2.8Å; E128-R131 IonicContact OE1-NE 2.82Å; E128-R131 PolarHBondContact OE1-NE 3.43Å; E128-R131 IonicContact OE1-NH2 3.88Å; E128-R131 IonicContact OE2-CZ 2.66Å; E128-R131 VanDerWaalsContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.03Å; E128-R131 PolarHBondContact OE2-NE 2.91Å; E128-R131 IonicContact OE2-NH2 3.08Å; E128-R131 PolarHBondContact OE2-NH2 3.14Å
129A98.2Very high98.5Very high109 Ų10953.4 Ų53.490%0.90127%0.268SS*.G310 helixtrans-63.9-16.6178.600000114.2L127L127-A129 PolarHBondContact O-N 2.91Å; L127-A129 VanDerWaalsContact O-N 3.11Å
130Q98.4Very high98.5Very high115 Ų11561.3 Ų61.354%0.53730%0.302SS..G310 helixtrans-108.210.4179.6-58.7177.733.600112.1T92 L127 E128 Q132T92-Q130 WeakPolarHBondContact CA-O 3.49Å; T92-Q130 WeakPolarHBondContact CB-O 3.28Å; T92-Q130 HydrophobicContact CG2-CB 3.76Å; L127-Q130 PolarHBondContact O-N 2.92Å; E128-Q130 PolarHBondContact O-N 3.38Å; E128-Q130 VanDerWaalsContact O-N 3.11Å; Q130-Q132 PolarHBondContact O-N 3.5Å
131R98.6Very high98.4Very high56 Ų5663.3 Ų63.321%0.21131%0.313CS..  trans-58.1129.6-177.4179.9-179.8-72.2-89.76.4111.6I91 E128 V133 E151I91-R131 HydrophobicContact CD1-CB 4.3Å; I91-R131 HydrophobicContact CD1-CG 4.35Å; E128-R131 VanDerWaalsContact CD-NE 3.26Å; E128-R131 WeakPolarHBondContact O-CB 3.31Å; E128-R131 PolarHBondContact O-N 3.42Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 IonicContact OE1-CZ 2.8Å; E128-R131 IonicContact OE1-NE 2.82Å; E128-R131 PolarHBondContact OE1-NE 3.43Å; E128-R131 IonicContact OE1-NH2 3.88Å; E128-R131 IonicContact OE2-CZ 2.66Å; E128-R131 VanDerWaalsContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.03Å; E128-R131 PolarHBondContact OE2-NE 2.91Å; E128-R131 IonicContact OE2-NH2 3.08Å; E128-R131 PolarHBondContact OE2-NH2 3.14Å; R131-V133 VanDerWaalsContact CD-O 3.26Å; R131-V133 WeakPolarHBondContact CD-O 3.37Å; R131-V133 WeakPolarHBondContact CG-O 3.26Å; R131-V133 PolarHBondContact NH1-O 3.39Å; R131-E151 IonicContact CZ-OE1 3.21Å; R131-E151 IonicContact CZ-OE2 3.08Å; R131-E151 IonicContact NH1-OE1 2.69Å; R131-E151 PolarHBondContact NH1-OE1 2.9Å; R131-E151 IonicContact NH1-OE2 3.49Å; R131-E151 VanDerWaalsContact NH2-CD 3.29Å; R131-E151 IonicContact NH2-OE1 3.25Å; R131-E151 PolarHBondContact NH2-OE1 2.85Å; R131-E151 VanDerWaalsContact NH2-OE1 3.1Å; R131-E151 IonicContact NH2-OE2 3.34Å; R131-E151 PolarHBondContact NH2-OE2 3.08Å
132Q98.7Very high98.4Very high105 Ų10563.4 Ų63.449%0.49131%0.314SS..  trans-116.3-9.6174-59.5-177.48.800112.8I91 T92 R94 Q130I91-Q132 PolarHBondContact O-N 2.76Å; T92-Q132 PolarHBondContact O-NE2 3.23Å; T92-Q132 PolarHBondContact O-OE1 3.14Å; R94-Q132 HydrophobicContact CB-CB 4.22Å; R94-Q132 WeakPolarHBondContact CD-O 3.29Å; R94-Q132 PolarHBondContact NH1-O 3.24Å; Q130-Q132 PolarHBondContact O-N 3.5Å
133V98.7Very high98.4Very high0 Ų066 Ų660%034%0.341CS..SBendtrans-126.8118.3179.7-1750000108.6F89 I91 F97 R131 E137 A138F89-V133 HydrophobicContact CE2-CB 3.98Å; F89-V133 HydrophobicContact CE2-CG1 3.74Å; F89-V133 HydrophobicContact CE2-CG2 4.24Å; F89-V133 HydrophobicContact CZ-CG1 4.14Å; I91-V133 PolarHBondContact O-N 3.43Å; F97-V133 HydrophobicContact CB-CG1 4.34Å; F97-V133 HydrophobicContact CB-CG2 3.64Å; F97-V133 HydrophobicContact CD1-CG1 3.81Å; F97-V133 HydrophobicContact CD1-CG2 4.11Å; F97-V133 HydrophobicContact CD2-CG1 3.83Å; F97-V133 HydrophobicContact CE1-CG1 3.98Å; F97-V133 HydrophobicContact CE2-CG1 4Å; F97-V133 HydrophobicContact CG-CB 4.49Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.9Å; F97-V133 HydrophobicContact CZ-CG1 4.07Å; R131-V133 VanDerWaalsContact CD-O 3.26Å; R131-V133 WeakPolarHBondContact CD-O 3.37Å; R131-V133 WeakPolarHBondContact CG-O 3.26Å; R131-V133 PolarHBondContact NH1-O 3.39Å; V133-E137 WeakPolarHBondContact CA-OE1 3.49Å; V133-E137 HydrophobicContact CG1-CG 3.78Å; V133-A138 HydrophobicContact CG1-CB 4.36Å
134T98.6Very high98.3Very high69 Ų6969.7 Ų69.742%0.42337%0.372SS..  trans-71.8151.8177.763.10000110.9Q136 E137 A138T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.88Å; T134-E137 PolarHBondContact N-OE1 3.5Å; T134-E137 WeakPolarHBondContact O-CG 3.38Å; T134-E137 PolarHBondContact O-N 2.64Å; T134-E137 VanDerWaalsContact OG1-CG 3.28Å; T134-E137 WeakPolarHBondContact OG1-CG 3.32Å; T134-E137 PolarHBondContact OG1-N 3.1Å; T134-E137 PolarHBondContact OG1-OE1 3.44Å; T134-E137 VanDerWaalsContact OG1-OE1 3.06Å; T134-A138 PolarHBondContact O-N 2.97Å
135R98.3Very high98.2Very high132 Ų13270 Ų7050%0.49837%0.372SS..Hα-helixtrans-58.5-42.2173174.5163.3-179.4147.45.5111.9E137 A138 E139 Y149R135-E137 PolarHBondContact O-N 2.99Å; R135-A138 PolarHBondContact O-N 3.19Å; R135-E139 HydrophobicContact CG-CG 4.2Å; R135-E139 WeakPolarHBondContact CG-OE1 3.49Å; R135-E139 IonicContact CZ-OE1 2.85Å; R135-E139 IonicContact NE-OE1 2.7Å; R135-E139 PolarHBondContact NE-OE1 2.93Å; R135-E139 IonicContact NH2-OE1 3.2Å; R135-E139 PolarHBondContact NH2-OE1 2.93Å; R135-E139 WeakPolarHBondContact O-CB 3.44Å; R135-E139 WeakPolarHBondContact O-CG 3.5Å; R135-E139 PolarHBondContact O-N 3.27Å; R135-Y149 HydrophobicContact CG-CE1 4.1Å
136Q98.6Very high98Very high157 Ų15772.5 Ų72.573%0.73440%0.4SS*.Hα-helixtrans-60.8-43.4-177.6-172.6-177.814.900113T134 K140T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.88Å; Q136-K140 WeakPolarHBondContact O-CB 3.49Å; Q136-K140 PolarHBondContact O-N 2.83Å
137E98.3Very high97.9Very high45 Ų4571.9 Ų71.921%0.2140%0.396CS..Hα-helixtrans-71.9-33.2179.375.1-172118.500112.3R94 F97 V133 T134 R135 K140 L141R94-E137 IonicContact CZ-OE1 3.78Å; R94-E137 IonicContact CZ-OE2 2.71Å; R94-E137 IonicContact NH1-OE1 3.2Å; R94-E137 PolarHBondContact NH1-OE1 3.35Å; R94-E137 IonicContact NH1-OE2 2.65Å; R94-E137 PolarHBondContact NH1-OE2 3.2Å; R94-E137 IonicContact NH2-OE2 2.97Å; R94-E137 PolarHBondContact NH2-OE2 3.46Å; F97-E137 HydrophobicContact CE1-CG 4.01Å; F97-E137 HydrophobicContact CZ-CG 4.04Å; V133-E137 WeakPolarHBondContact CA-OE1 3.49Å; V133-E137 HydrophobicContact CG1-CG 3.78Å; T134-E137 PolarHBondContact N-OE1 3.5Å; T134-E137 WeakPolarHBondContact O-CG 3.38Å; T134-E137 PolarHBondContact O-N 2.64Å; T134-E137 VanDerWaalsContact OG1-CG 3.28Å; T134-E137 WeakPolarHBondContact OG1-CG 3.32Å; T134-E137 PolarHBondContact OG1-N 3.1Å; T134-E137 PolarHBondContact OG1-OE1 3.44Å; T134-E137 VanDerWaalsContact OG1-OE1 3.06Å; R135-E137 PolarHBondContact O-N 2.99Å; E137-K140 PolarHBondContact O-N 3.46Å; E137-L141 PolarHBondContact O-N 3.41Å
138A98.6Very high97.9Very high0 Ų074 Ų740%040%0.401CS..Hα-helixtrans-69.1-41.8175.700000111.8F89 F97 V133 T134 R135 K140 L141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.31Å; F89-A138 HydrophobicContact CZ-CB 3.76Å; F97-A138 HydrophobicContact CE2-CB 3.96Å; F97-A138 HydrophobicContact CZ-CB 4.4Å; V133-A138 HydrophobicContact CG1-CB 4.36Å; T134-A138 PolarHBondContact O-N 2.97Å; R135-A138 PolarHBondContact O-N 3.19Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.61Å; A138-L141 PolarHBondContact O-N 3.02Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 3.28Å; A138-Y149 HydrophobicContact CB-CD1 4.29Å; A138-Y149 HydrophobicContact CB-CD2 4.08Å; A138-Y149 HydrophobicContact CB-CE1 3.8Å; A138-Y149 HydrophobicContact CB-CE2 3.59Å; A138-Y149 HydrophobicContact CB-CG 4.39Å
139E98.6Very high97.9Very high82 Ų8270.2 Ų70.238%0.38338%0.383SS..Hα-helixtrans-61.3-41.9172.2-73.4173.816600111.5R135 A142 G143 Y149R135-E139 HydrophobicContact CG-CG 4.2Å; R135-E139 WeakPolarHBondContact CG-OE1 3.49Å; R135-E139 IonicContact CZ-OE1 2.85Å; R135-E139 IonicContact NE-OE1 2.7Å; R135-E139 PolarHBondContact NE-OE1 2.93Å; R135-E139 IonicContact NH2-OE1 3.2Å; R135-E139 PolarHBondContact NH2-OE1 2.93Å; R135-E139 WeakPolarHBondContact O-CB 3.44Å; R135-E139 WeakPolarHBondContact O-CG 3.5Å; R135-E139 PolarHBondContact O-N 3.27Å; E139-A142 PolarHBondContact O-N 3.03Å; E139-G143 PolarHBondContact O-N 2.92Å; E139-Y149 HydrophobicContact CG-CD1 3.53Å; E139-Y149 HydrophobicContact CG-CE1 4.29Å; E139-Y149 HydrophobicContact CG-CG 4.27Å
140K98.6Very high98Very high168 Ų16865.5 Ų65.573%0.7334%0.342SS*.Hα-helixtrans-61.9-43.6175.5-174.1179179.3-178.50111.9Q136 E137 A138 A144Q136-K140 WeakPolarHBondContact O-CB 3.49Å; Q136-K140 PolarHBondContact O-N 2.83Å; E137-K140 PolarHBondContact O-N 3.46Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.61Å; K140-A144 PolarHBondContact O-N 3.49Å
141L98.1Very high98Very high42 Ų4261 Ų6122%0.2232%0.321CS..Hα-helixtrans-64.1-45.7176.9-171.271.8000111.2F97 V100 E137 A138 G143 A144 Y145F97-L141 HydrophobicContact CD2-CD2 4.18Å; F97-L141 HydrophobicContact CE1-CD2 4.47Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; 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 3.99Å; F97-L141 HydrophobicContact CZ-CD2 3.62Å; F97-L141 HydrophobicContact CZ-CG 4.38Å; V100-L141 HydrophobicContact CB-CD2 4.11Å; V100-L141 HydrophobicContact CG1-CD2 3.8Å; E137-L141 PolarHBondContact O-N 3.41Å; A138-L141 PolarHBondContact O-N 3.02Å; L141-G143 PolarHBondContact O-N 2.79Å; L141-A144 PolarHBondContact O-N 3.02Å; L141-Y145 HydrophobicContact CD1-CD2 4.22Å; L141-Y145 HydrophobicContact CD1-CE2 3.58Å; L141-Y145 HydrophobicContact CG-CD2 4.1Å; L141-Y145 HydrophobicContact CG-CE2 3.87Å; L141-Y145 VanDerWaalsContact O-CD2 3.25Å; L141-Y145 WeakPolarHBondContact O-CD2 3.28Å; L141-Y145 PolarHBondContact O-N 3.32Å
142A98.1Very high98Very high2 Ų258.3 Ų58.32%0.01731%0.311CS..Hα-helixtrans-58.9-47.6177.400000111.3L120 A138 E139 A144 Y145 G146 M147L120-A142 HydrophobicContact CB-CB 4.21Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 3.28Å; E139-A142 PolarHBondContact O-N 3.03Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 2.91Å; A142-Y145 CarbonylContact O-C 3.29Å; A142-Y145 PolarHBondContact O-N 3.14Å; A142-Y145 VanDerWaalsContact O-N 3.08Å; A142-G146 PolarHBondContact O-N 2.92Å; A142-M147 CarbonylContact C-O 3.47Å; A142-M147 VanDerWaalsContact C-O 3.29Å; A142-M147 HydrophobicContact CB-CB 4.34Å; A142-M147 WeakPolarHBondContact CB-O 3.46Å; A142-M147 PolarHBondContact O-N 2.94Å
143G97.9Very high98Very high55 Ų5553.3 Ų53.357%0.56729%0.288SS*.Hα-helixtrans-59.2-40.7176.600000113.3E139 L141 Y145 G146E139-G143 PolarHBondContact O-N 2.92Å; L141-G143 PolarHBondContact O-N 2.79Å; G143-Y145 PolarHBondContact O-N 3.02Å; G143-G146 PolarHBondContact O-N 2.81Å; G143-G146 VanDerWaalsContact O-N 3.15Å
144A97.3Very high97.9Very high82 Ų8253.3 Ų53.368%0.67829%0.288SS*.Hα-helixtrans-62.3-27.6176.800000113.3K140 L141 A142K140-A144 PolarHBondContact O-N 3.49Å; L141-A144 PolarHBondContact O-N 3.02Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 2.91Å
145Y95.6Very high97.9Very high55 Ų5554.7 Ų54.722%0.21629%0.285CS..THydrogen-bonded Turntrans-99.91.8177.4-68.9-57.7000114.5H101 L104 R108 L141 A142 G143 M147H101-Y145 AromaticContact ND1-CZ 3.71Å; H101-Y145 PolarHBondContact ND1-OH 3.43Å; L104-Y145 HydrophobicContact CD2-CD1 3.41Å; L104-Y145 VanDerWaalsContact CD2-CD1 3.41Å; L104-Y145 HydrophobicContact CD2-CD2 3.73Å; L104-Y145 HydrophobicContact CD2-CE1 3.89Å; L104-Y145 HydrophobicContact CD2-CE2 4.15Å; L104-Y145 HydrophobicContact CD2-CG 3.34Å; R108-Y145 PolarHBondContact NH2-O 2.79Å; L141-Y145 HydrophobicContact CD1-CD2 4.22Å; L141-Y145 HydrophobicContact CD1-CE2 3.58Å; L141-Y145 HydrophobicContact CG-CD2 4.1Å; L141-Y145 HydrophobicContact CG-CE2 3.87Å; L141-Y145 VanDerWaalsContact O-CD2 3.25Å; L141-Y145 WeakPolarHBondContact O-CD2 3.28Å; L141-Y145 PolarHBondContact O-N 3.32Å; A142-Y145 CarbonylContact O-C 3.29Å; A142-Y145 PolarHBondContact O-N 3.14Å; A142-Y145 VanDerWaalsContact O-N 3.08Å; G143-Y145 PolarHBondContact O-N 3.02Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.94Å; Y145-M147 HydrophobicContact CG-CE 4.18Å
146G95.2Very high97.8Very high67 Ų6752.2 Ų52.269%0.69128%0.282SS*.THydrogen-bonded Turntrans68.726.7-175.800000113.6A142 G143A142-G146 PolarHBondContact O-N 2.92Å; G143-G146 PolarHBondContact O-N 2.81Å; G143-G146 VanDerWaalsContact O-N 3.15Å
147M96.4Very high97.8Very high17 Ų1747.5 Ų47.58%0.08427%0.269CS..  trans-102.5153.4176.2-60.1-174.9-68.400110.4L87 L104 F118 L120 A142 Y145L87-M147 HydrophobicContact CD2-CE 4.44Å; L104-M147 HydrophobicContact CD1-SD 4.13Å; L104-M147 HydrophobicContact CD2-CE 4.03Å; L104-M147 HydrophobicContact CD2-SD 4.45Å; F118-M147 HydrophobicContact CB-CG 4.02Å; F118-M147 HydrophobicContact CB-SD 3.42Å; F118-M147 WeakPolarHBondContact CB-SD 3.19Å; F118-M147 HydrophobicContact CG-SD 4.38Å; L120-M147 HydrophobicContact CB-CE 4.28Å; A142-M147 CarbonylContact C-O 3.47Å; A142-M147 VanDerWaalsContact C-O 3.29Å; A142-M147 HydrophobicContact CB-CB 4.34Å; A142-M147 WeakPolarHBondContact CB-O 3.46Å; A142-M147 PolarHBondContact O-N 2.94Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.94Å; Y145-M147 HydrophobicContact CG-CE 4.18Å
148R97.4Very high97.8Very high92 Ų9248.6 Ų48.635%0.34728%0.276SS..EExtended strand (participates in β ladder)trans-79.9162.2162.9-69-169.3-76.8174.7-4.4110.8L119 L120 E166 E170L119-R148 HydrophobicContact CD1-CB 3.74Å; L120-R148 WeakPolarHBondContact CB-O 3.33Å; L120-R148 PolarHBondContact N-O 3.38Å; R148-E166 WeakPolarHBondContact CD-OE1 3.45Å; R148-E166 IonicContact CZ-OE1 3.42Å; R148-E166 IonicContact NE-OE1 2.74Å; R148-E166 PolarHBondContact NE-OE1 3.17Å; R148-E166 IonicContact NH1-OE1 3.48Å; R148-E166 PolarHBondContact NH1-OE1 2.96Å; R148-E166 PolarHBondContact NH2-O 2.88Å; R148-E170 IonicContact CZ-OE2 2.86Å; R148-E170 VanDerWaalsContact CZ-OE2 3.25Å; R148-E170 IonicContact NE-OE2 3.49Å; R148-E170 PolarHBondContact NE-OE2 2.88Å; R148-E170 IonicContact NH2-OE2 2.66Å; R148-E170 PolarHBondContact NH2-OE2 2.84Å
149Y98.7Very high97.8Very high25 Ų2551.9 Ų51.910%0.09829%0.294CS..EExtended strand (participates in β ladder)trans-127.5136.8177.9177-113.7000111.7F89 L120 R135 A138 E139 E151F89-Y149 HydrophobicContact CE1-CD2 4.49Å; F89-Y149 AromaticContact CE1-CE2 3.68Å; F89-Y149 HydrophobicContact CE1-CE2 3.68Å; F89-Y149 AromaticContact CZ-CE2 3.71Å; F89-Y149 HydrophobicContact CZ-CE2 3.71Å; L120-Y149 HydrophobicContact CB-CD2 4.08Å; L120-Y149 HydrophobicContact CD2-CD2 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 4.36Å; L120-Y149 HydrophobicContact CG-CD2 3.82Å; L120-Y149 HydrophobicContact CG-CE2 4.34Å; L120-Y149 WeakPolarHBondContact O-CA 3.3Å; L120-Y149 WeakPolarHBondContact O-CD2 3.11Å; R135-Y149 HydrophobicContact CG-CE1 4.1Å; A138-Y149 HydrophobicContact CB-CD1 4.29Å; A138-Y149 HydrophobicContact CB-CD2 4.08Å; A138-Y149 HydrophobicContact CB-CE1 3.8Å; A138-Y149 HydrophobicContact CB-CE2 3.59Å; A138-Y149 HydrophobicContact CB-CG 4.39Å; E139-Y149 HydrophobicContact CG-CD1 3.53Å; E139-Y149 HydrophobicContact CG-CE1 4.29Å; E139-Y149 HydrophobicContact CG-CG 4.27Å; Y149-E151 HydrophobicContact CE1-CG 3.76Å; Y149-E151 WeakPolarHBondContact OH-CG 3.47Å; Y149-E151 PolarHBondContact OH-OE1 2.7Å; Y149-E151 VanDerWaalsContact OH-OE1 3.11Å
150I98.8Very high97.8Very high10 Ų1048.2 Ų48.25%0.05128%0.277CS..EExtended strand (participates in β ladder)trans-140.7144.1173-167.2168.4000111.2L119 L120 V121 G122 T152 N159 H162 A163L119-I150 HydrophobicContact CD1-CG2 4.12Å; L119-I150 HydrophobicContact CD2-CG2 3.87Å; L119-I150 HydrophobicContact CG-CG2 4.04Å; L120-I150 PolarHBondContact O-N 2.78Å; V121-I150 CarbonylContact C-O 3.5Å; V121-I150 WeakPolarHBondContact CA-O 3.24Å; V121-I150 HydrophobicContact CG2-CG2 4.02Å; G122-I150 PolarHBondContact N-O 2.8Å; I150-T152 HydrophobicContact CG1-CG2 4.5Å; I150-T152 HydrophobicContact CG2-CG2 4.24Å; I150-N159 HydrophobicContact CD1-CB 3.78Å; I150-N159 HydrophobicContact CG1-CB 4.07Å; I150-H162 HydrophobicContact CD1-CB 4.12Å; I150-H162 WeakPolarHBondContact CD1-ND1 3.48Å; I150-A163 HydrophobicContact CD1-CB 4.28Å; I150-A163 HydrophobicContact CG2-CB 3.98Å
151E98.8Very high97.8Very high20 Ų2044 Ų449%0.09326%0.26CS..EExtended strand (participates in β ladder)trans-97.7136.2170.1-73-173176.900111.1G122 C125 R131 Y149 N159G122-E151 CarbonylContact O-C 3.48Å; G122-E151 WeakPolarHBondContact O-CA 3.08Å; C125-E151 HydrophobicContact CB-CB 3.99Å; R131-E151 IonicContact CZ-OE1 3.21Å; R131-E151 IonicContact CZ-OE2 3.08Å; R131-E151 IonicContact NH1-OE1 2.69Å; R131-E151 PolarHBondContact NH1-OE1 2.9Å; R131-E151 IonicContact NH1-OE2 3.49Å; R131-E151 VanDerWaalsContact NH2-CD 3.29Å; R131-E151 IonicContact NH2-OE1 3.25Å; R131-E151 PolarHBondContact NH2-OE1 2.85Å; R131-E151 VanDerWaalsContact NH2-OE1 3.1Å; R131-E151 IonicContact NH2-OE2 3.34Å; R131-E151 PolarHBondContact NH2-OE2 3.08Å; Y149-E151 HydrophobicContact CE1-CG 3.76Å; Y149-E151 WeakPolarHBondContact OH-CG 3.47Å; Y149-E151 PolarHBondContact OH-OE1 2.7Å; Y149-E151 VanDerWaalsContact OH-OE1 3.11Å; E151-N159 VanDerWaalsContact O-CB 3.23Å; E151-N159 WeakPolarHBondContact O-CB 3.23Å; E151-N159 PolarHBondContact O-ND2 3.36Å
152T98.8Very high97.8Very high0 Ų046 Ų460%027%0.268CS..EExtended strand (participates in β ladder)trans-134.5152.3-17558.20000112.7L24 V121 G122 H123 K124 C125 I150 I158 N159 A163L24-T152 HydrophobicContact CD1-CG2 4.49Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.47Å; G122-T152 PolarHBondContact O-N 2.84Å; H123-T152 CarbonylContact C-O 3.43Å; H123-T152 WeakPolarHBondContact CA-O 3.27Å; H123-T152 PolarHBondContact ND1-O 3.15Å; H123-T152 PolarHBondContact ND1-OG1 2.98Å; K124-T152 PolarHBondContact N-O 3.47Å; C125-T152 PolarHBondContact N-O 3.09Å; C125-T152 PolarHBondContact SG-O 3.31Å; I150-T152 HydrophobicContact CG1-CG2 4.5Å; I150-T152 HydrophobicContact CG2-CG2 4.24Å; T152-I158 WeakPolarHBondContact CA-O 3.19Å; T152-N159 HydrophobicContact CG2-CB 3.98Å; T152-A163 HydrophobicContact CG2-CB 4.02Å
153S98.6Very high97.8Very high0 Ų045.9 Ų45.90%027%0.267CS..BIsolated β-bridgetrans-129.6118.7167.9176.10000110.2D126 R155 D156 A157 I158 V160D126-S153 VanDerWaalsContact CB-OG 3.31Å; D126-S153 WeakPolarHBondContact CB-OG 3.32Å; D126-S153 WeakPolarHBondContact OD1-CB 3.44Å; D126-S153 PolarHBondContact OD1-OG 3.11Å; S153-R155 VanDerWaalsContact C-N 3.3Å; S153-R155 PolarHBondContact OG-N 2.87Å; S153-D156 PolarHBondContact OG-N 2.89Å; S153-A157 CarbonylContact O-C 3.51Å; S153-A157 WeakPolarHBondContact O-CA 3.38Å; S153-A157 PolarHBondContact O-N 2.96Å; S153-I158 PolarHBondContact N-O 3.46Å; S153-I158 PolarHBondContact O-N 3.39Å; S153-I158 VanDerWaalsContact O-N 3.07Å; S153-V160 VanDerWaalsContact O-CG2 3.24Å; S153-V160 WeakPolarHBondContact O-CG2 3.49Å
154A97.8Very high97.8Very high0 Ų043.3 Ų43.30%024%0.24CC..THydrogen-bonded Turntrans-71.3-30.8169.500000111.3C23 R27 F33 H123C23-A154 HydrophobicContact CB-CB 3.87Å; R27-A154 HydrophobicContact CB-CB 4.16Å; R27-A154 PolarHBondContact NE-O 3.46Å; R27-A154 PolarHBondContact NH2-O 3.24Å; F33-A154 HydrophobicContact CD2-CB 3.98Å; F33-A154 HydrophobicContact CE2-CB 4.27Å; H123-A154 PolarHBondContact CE1-N 3.11Å
155R97.1Very high97.8Very high98 Ų9840 Ų4037%0.3721%0.212SC..THydrogen-bonded Turntrans-64-56.5179.6-170.1-174.777.2-16410.9110.5R27 F33 D126 S153R27-R155 PolarHBondContact NH2-O 2.81Å; F33-R155 HydrophobicContact CD1-CG 4.34Å; F33-R155 HydrophobicContact CD2-CB 4.47Å; F33-R155 HydrophobicContact CE1-CB 4.25Å; F33-R155 HydrophobicContact CE1-CG 3.94Å; F33-R155 HydrophobicContact CE2-CB 4.12Å; F33-R155 HydrophobicContact CZ-CB 4.01Å; F33-R155 HydrophobicContact CZ-CG 4.13Å; D126-R155 VanDerWaalsContact CB-NH2 3.35Å; D126-R155 PolarHBondContact O-NH2 3.03Å; D126-R155 VanDerWaalsContact O-NH2 3.09Å; D126-R155 IonicContact OD2-CZ 2.7Å; D126-R155 IonicContact OD2-NE 3.67Å; D126-R155 PolarHBondContact OD2-NE 3.47Å; D126-R155 IonicContact OD2-NH1 3.67Å; D126-R155 PolarHBondContact OD2-NH1 2.94Å; D126-R155 IonicContact OD2-NH2 3.29Å; D126-R155 PolarHBondContact OD2-NH2 2.88Å; S153-R155 VanDerWaalsContact C-N 3.3Å; S153-R155 PolarHBondContact OG-N 2.87Å
156D97.6Very high97.9Very high80 Ų8038.9 Ų38.943%0.42821%0.208SC..THydrogen-bonded Turntrans-96.86.8-171.6-60.8-5.6000112D126 S153 I158D126-D156 HydrophobicContact CB-CB 4.42Å; D126-D156 VanDerWaalsContact CB-OD2 3.24Å; D126-D156 WeakPolarHBondContact CB-OD2 3.22Å; S153-D156 PolarHBondContact OG-N 2.89Å; D156-I158 HydrophobicContact CB-CD1 3.94Å; D156-I158 HydrophobicContact CB-CG1 3.92Å; D156-I158 PolarHBondContact O-N 2.58Å
157A97.8Very high98Very high57 Ų5735.7 Ų35.747%0.47118%0.175SC..THydrogen-bonded Turntrans56.924.8-178.500000114.6S153 N159S153-A157 CarbonylContact O-C 3.51Å; S153-A157 WeakPolarHBondContact O-CA 3.38Å; S153-A157 PolarHBondContact O-N 2.96Å; A157-N159 PolarHBondContact O-N 2.93Å
158I98.6Very high98.1Very high69 Ų6934.9 Ų34.935%0.35417%0.171SC..BIsolated β-bridgetrans-72.4123.9179.3-56.2171.9000109.3T152 S153 D156 V160T152-I158 WeakPolarHBondContact CA-O 3.19Å; S153-I158 PolarHBondContact N-O 3.46Å; S153-I158 PolarHBondContact O-N 3.39Å; S153-I158 VanDerWaalsContact O-N 3.07Å; D156-I158 HydrophobicContact CB-CD1 3.94Å; D156-I158 HydrophobicContact CB-CG1 3.92Å; D156-I158 PolarHBondContact O-N 2.58Å; I158-V160 PolarHBondContact O-N 3.37Å
159N98.6Very high98.1Very high69 Ų6935.7 Ų35.737%0.36918%0.175SC..THydrogen-bonded Turntrans56.711.2174-68.4-26.9000116.5I150 E151 T152 A157 H162 A163I150-N159 HydrophobicContact CD1-CB 3.78Å; I150-N159 HydrophobicContact CG1-CB 4.07Å; E151-N159 VanDerWaalsContact O-CB 3.23Å; E151-N159 WeakPolarHBondContact O-CB 3.23Å; E151-N159 PolarHBondContact O-ND2 3.36Å; T152-N159 HydrophobicContact CG2-CB 3.98Å; A157-N159 PolarHBondContact O-N 2.93Å; N159-H162 HydrophobicContact CB-CB 4.42Å; N159-H162 PolarHBondContact O-N 2.85Å; N159-A163 PolarHBondContact O-N 2.93Å
160V98.4Very high98Very high5 Ų537 Ų373%0.0318%0.181CC..Hα-helixtrans-62-53.7-178.4177.30000110.6L24 R27 F28 S153 I158 H162 A163 F164L24-V160 HydrophobicContact CD1-CB 4.2Å; L24-V160 HydrophobicContact CD1-CG1 3.86Å; L24-V160 HydrophobicContact CD1-CG2 3.8Å; R27-V160 HydrophobicContact CB-CG1 4.28Å; R27-V160 HydrophobicContact CG-CB 4.32Å; R27-V160 HydrophobicContact CG-CG1 3.99Å; R27-V160 HydrophobicContact CG-CG2 3.97Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; S153-V160 VanDerWaalsContact O-CG2 3.24Å; S153-V160 WeakPolarHBondContact O-CG2 3.49Å; I158-V160 PolarHBondContact O-N 3.37Å; V160-H162 VanDerWaalsContact C-N 3.28Å; V160-H162 PolarHBondContact O-N 3.12Å; V160-A163 PolarHBondContact O-N 2.85Å; V160-F164 WeakPolarHBondContact O-CD2 3.45Å
161E97.7Very high98Very high79 Ų7936.5 Ų36.537%0.36918%0.179SC..Hα-helixtrans-61.1-39.7176.3-164.371.4-173.300111.7F28 R48 F164 T165F28-E161 WeakPolarHBondContact CD2-OE2 3.26Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.01Å; R48-E161 IonicContact CZ-OE1 3.08Å; R48-E161 IonicContact CZ-OE2 3.82Å; R48-E161 IonicContact NH1-OE1 3.24Å; R48-E161 PolarHBondContact NH1-OE1 3.43Å; R48-E161 IonicContact NH1-OE2 3.31Å; R48-E161 PolarHBondContact NH1-OE2 3.23Å; R48-E161 VanDerWaalsContact NH2-CD 3.34Å; R48-E161 IonicContact NH2-OE1 2.7Å; R48-E161 PolarHBondContact NH2-OE1 3.02Å; R48-E161 IonicContact NH2-OE2 3.98Å; R48-E161 PolarHBondContact NH2-OE2 3.33Å; E161-F164 PolarHBondContact O-N 2.94Å; E161-T165 HydrophobicContact CG-CG2 4.25Å; E161-T165 WeakPolarHBondContact O-CB 3.22Å; E161-T165 WeakPolarHBondContact O-CG2 3.44Å; E161-T165 PolarHBondContact O-N 3.39Å; E161-T165 PolarHBondContact O-OG1 3.06Å
162H98.1Very high97.8Very high84 Ų8436.3 Ų36.339%0.38918%0.178SC..Hα-helixtrans-63.4-44.4-177.4-167.5-110000111.6I150 N159 V160 F164 T165 E166I150-H162 HydrophobicContact CD1-CB 4.12Å; I150-H162 WeakPolarHBondContact CD1-ND1 3.48Å; N159-H162 HydrophobicContact CB-CB 4.42Å; N159-H162 PolarHBondContact O-N 2.85Å; V160-H162 VanDerWaalsContact C-N 3.28Å; V160-H162 PolarHBondContact O-N 3.12Å; H162-F164 PolarHBondContact O-N 3.42Å; H162-T165 WeakPolarHBondContact CA-OG1 3.19Å; H162-T165 PolarHBondContact O-N 2.83Å; H162-T165 PolarHBondContact O-OG1 2.78Å; H162-E166 IonicContact CE1-OE2 3.37Å; H162-E166 PolarHBondContact CE1-OE2 2.92Å; H162-E166 IonicContact ND1-OE2 2.68Å; H162-E166 PolarHBondContact ND1-OE2 2.86Å; H162-E166 WeakPolarHBondContact O-CB 3.47Å; H162-E166 PolarHBondContact O-N 2.75Å
163A98.4Very high97.7Very high0 Ų038.9 Ų38.90%020%0.199CC..Hα-helixtrans-58-47.1179.500000112.5L86 L119 I150 T152 N159 V160 L167L86-A163 HydrophobicContact CD2-CB 4.24Å; L119-A163 HydrophobicContact CD2-CB 4.05Å; L119-A163 VanDerWaalsContact CD2-O 3.24Å; L119-A163 WeakPolarHBondContact CD2-O 3.26Å; I150-A163 HydrophobicContact CD1-CB 4.28Å; I150-A163 HydrophobicContact CG2-CB 3.98Å; T152-A163 HydrophobicContact CG2-CB 4.02Å; N159-A163 PolarHBondContact O-N 2.93Å; V160-A163 PolarHBondContact O-N 2.85Å; A163-L167 WeakPolarHBondContact O-CB 3.25Å; A163-L167 PolarHBondContact O-N 2.8Å
164F98.4Very high97.6Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-71.5-41.7179.5-72.2-83.6000112.3L11 L24 I25 F28 L60 I62 L86 V160 E161 H162 T168L11-F164 HydrophobicContact CD1-CD1 4.22Å; L24-F164 HydrophobicContact CD2-CE2 4.37Å; L24-F164 HydrophobicContact CG-CE2 4.04Å; L24-F164 HydrophobicContact CG-CZ 4.4Å; I25-F164 HydrophobicContact CG1-CZ 4.32Å; F28-F164 HydrophobicContact CB-CD2 3.79Å; F28-F164 HydrophobicContact CB-CE2 3.52Å; F28-F164 HydrophobicContact CB-CZ 4.24Å; F28-F164 HydrophobicContact CD1-CD1 4.07Å; F28-F164 AromaticContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CE1 4.2Å; F28-F164 AromaticContact CD1-CE2 3.92Å; F28-F164 HydrophobicContact CD1-CE2 3.92Å; F28-F164 AromaticContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CZ 4.13Å; F28-F164 HydrophobicContact CD2-CB 4.05Å; F28-F164 AromaticContact CD2-CD2 3.45Å; F28-F164 HydrophobicContact CD2-CD2 3.45Å; F28-F164 VanDerWaalsContact CD2-CD2 3.45Å; F28-F164 HydrophobicContact CD2-CE2 4.12Å; F28-F164 AromaticContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CE1-CB 4.13Å; F28-F164 HydrophobicContact CE1-CD1 4.03Å; F28-F164 HydrophobicContact CE1-CD2 4.21Å; F28-F164 AromaticContact CE1-CG 3.87Å; F28-F164 HydrophobicContact CE1-CG 3.87Å; F28-F164 HydrophobicContact CE2-CB 3.59Å; F28-F164 AromaticContact CE2-CD2 3.92Å; F28-F164 HydrophobicContact CE2-CD2 3.92Å; F28-F164 AromaticContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CG-CB 4.49Å; F28-F164 HydrophobicContact CG-CD1 4.5Å; F28-F164 AromaticContact CG-CD2 3.36Å; F28-F164 HydrophobicContact CG-CD2 3.36Å; F28-F164 AromaticContact CG-CE2 3.58Å; F28-F164 HydrophobicContact CG-CE2 3.58Å; F28-F164 AromaticContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CG 3.89Å; F28-F164 HydrophobicContact CG-CZ 4.24Å; F28-F164 HydrophobicContact CZ-CB 3.63Å; F28-F164 HydrophobicContact CZ-CD1 4.41Å; F28-F164 HydrophobicContact CZ-CD2 4.28Å; F28-F164 AromaticContact CZ-CG 3.87Å; F28-F164 HydrophobicContact CZ-CG 3.87Å; L60-F164 HydrophobicContact CD1-CB 4.4Å; I62-F164 HydrophobicContact CD1-CD1 4.12Å; I62-F164 HydrophobicContact CD1-CE1 3.83Å; I62-F164 HydrophobicContact CG2-CE1 4.33Å; L86-F164 HydrophobicContact CD1-CD1 3.96Å; L86-F164 HydrophobicContact CD1-CE1 3.59Å; L86-F164 HydrophobicContact CD1-CZ 4.27Å; L86-F164 HydrophobicContact CD2-CD1 4.34Å; L86-F164 HydrophobicContact CD2-CE1 4.06Å; L86-F164 HydrophobicContact CD2-CE2 4.34Å; L86-F164 HydrophobicContact CD2-CZ 4.05Å; V160-F164 WeakPolarHBondContact O-CD2 3.45Å; E161-F164 PolarHBondContact O-N 2.94Å; H162-F164 PolarHBondContact O-N 3.42Å; F164-T168 WeakPolarHBondContact O-CB 3.25Å; F164-T168 PolarHBondContact O-N 2.79Å; F164-T168 PolarHBondContact O-OG1 2.97Å
165T97.3Very high97.5Very high14 Ų1442 Ų429%0.08622%0.216CC..Hα-helixtrans-69.2-36.8179.853.10000112.4E161 H162 T168 R169E161-T165 HydrophobicContact CG-CG2 4.25Å; E161-T165 WeakPolarHBondContact O-CB 3.22Å; E161-T165 WeakPolarHBondContact O-CG2 3.44Å; E161-T165 PolarHBondContact O-N 3.39Å; E161-T165 PolarHBondContact O-OG1 3.06Å; H162-T165 WeakPolarHBondContact CA-OG1 3.19Å; H162-T165 PolarHBondContact O-N 2.83Å; H162-T165 PolarHBondContact O-OG1 2.78Å; T165-T168 PolarHBondContact O-N 2.95Å; T165-R169 WeakPolarHBondContact O-CG 3.46Å; T165-R169 PolarHBondContact O-N 3.48Å
166E96.9Very high97.3Very high31 Ų3145.1 Ų45.115%0.14523%0.228CC..Hα-helixtrans-64.3-47.4176.7-177.8171.8-173.400111.9R148 H162 T168 R169 E170R148-E166 WeakPolarHBondContact CD-OE1 3.45Å; R148-E166 IonicContact CZ-OE1 3.42Å; R148-E166 IonicContact NE-OE1 2.74Å; R148-E166 PolarHBondContact NE-OE1 3.17Å; R148-E166 IonicContact NH1-OE1 3.48Å; R148-E166 PolarHBondContact NH1-OE1 2.96Å; R148-E166 PolarHBondContact NH2-O 2.88Å; H162-E166 IonicContact CE1-OE2 3.37Å; H162-E166 PolarHBondContact CE1-OE2 2.92Å; H162-E166 IonicContact ND1-OE2 2.68Å; H162-E166 PolarHBondContact ND1-OE2 2.86Å; H162-E166 WeakPolarHBondContact O-CB 3.47Å; H162-E166 PolarHBondContact O-N 2.75Å; E166-T168 VanDerWaalsContact C-N 3.34Å; E166-R169 PolarHBondContact O-N 3.09Å; E166-E170 PolarHBondContact O-N 3.28Å; E166-E170 VanDerWaalsContact O-N 3.14Å
167L98.4Very high97.2Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-62.2-42.4173.9177.759.5000111.4L11 L86 V117 L119 A163 R169 E170 I171L11-L167 HydrophobicContact CD1-CD2 4.35Å; L11-L167 HydrophobicContact CD2-CD2 4.19Å; L86-L167 HydrophobicContact CD1-CD2 3.79Å; L86-L167 HydrophobicContact CG-CD2 4.06Å; V117-L167 HydrophobicContact CB-CD1 4.28Å; V117-L167 HydrophobicContact CG1-CD1 3.87Å; V117-L167 WeakPolarHBondContact O-CD1 3.16Å; L119-L167 HydrophobicContact CB-CD1 4.42Å; L119-L167 HydrophobicContact CD2-CB 4.3Å; A163-L167 WeakPolarHBondContact O-CB 3.25Å; A163-L167 PolarHBondContact O-N 2.8Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.85Å; L167-E170 WeakPolarHBondContact O-CB 3.46Å; L167-E170 PolarHBondContact O-N 2.8Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.31Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.41Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 2.86Å; L167-I171 VanDerWaalsContact O-N 3.1Å
168T98.2Very high97Very high0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-61.6-42.3178.4-56.40000111.6F9 V50 I52 I58 L60 F164 T165 E166 E170 I171 F172F9-T168 HydrophobicContact CD2-CG2 3.98Å; F9-T168 HydrophobicContact CE2-CG2 3.95Å; V50-T168 HydrophobicContact CG2-CG2 3.84Å; I52-T168 HydrophobicContact CG2-CG2 3.61Å; I58-T168 HydrophobicContact CB-CG2 3.87Å; I58-T168 HydrophobicContact CG1-CG2 3.97Å; I58-T168 HydrophobicContact CG2-CG2 3.83Å; L60-T168 HydrophobicContact CD2-CG2 4.06Å; F164-T168 WeakPolarHBondContact O-CB 3.25Å; F164-T168 PolarHBondContact O-N 2.79Å; F164-T168 PolarHBondContact O-OG1 2.97Å; T165-T168 PolarHBondContact O-N 2.95Å; E166-T168 VanDerWaalsContact C-N 3.34Å; T168-E170 VanDerWaalsContact C-N 3.33Å; T168-E170 PolarHBondContact O-N 2.75Å; T168-I171 PolarHBondContact O-N 2.94Å; T168-F172 VanDerWaalsContact O-CB 3.26Å; T168-F172 WeakPolarHBondContact O-CB 3.45Å; T168-F172 PolarHBondContact O-N 3.18Å
169R97.3Very high96.8Very high109 Ų10946.8 Ų46.841%0.41125%0.246SC..Hα-helixtrans-63.7-38.6177-77.3-179.9-173.3123.71.7112.2I52 T165 E166 L167 F172 A173I52-R169 HydrophobicContact CB-CG 3.9Å; I52-R169 HydrophobicContact CG2-CG 3.94Å; I52-R169 PolarHBondContact O-NE 3.49Å; I52-R169 VanDerWaalsContact O-NE 3.1Å; I52-R169 PolarHBondContact O-NH2 2.85Å; T165-R169 WeakPolarHBondContact O-CG 3.46Å; T165-R169 PolarHBondContact O-N 3.48Å; E166-R169 PolarHBondContact O-N 3.09Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.85Å; R169-F172 PolarHBondContact O-N 2.91Å; R169-A173 WeakPolarHBondContact O-CB 3.17Å; R169-A173 PolarHBondContact O-N 2.92Å
170E96.8Very high96.5Very high51 Ų5144.2 Ų44.224%0.23823%0.232CC..Hα-helixtrans-61.4-52.2176.8-157.4170.1157.600111.7V117 R148 E166 L167 T168 F172 A173 L174V117-E170 HydrophobicContact CG1-CB 4.35Å; V117-E170 HydrophobicContact CG1-CG 3.99Å; V117-E170 WeakPolarHBondContact CG1-OE1 3.45Å; R148-E170 IonicContact CZ-OE2 2.86Å; R148-E170 VanDerWaalsContact CZ-OE2 3.25Å; R148-E170 IonicContact NE-OE2 3.49Å; R148-E170 PolarHBondContact NE-OE2 2.88Å; R148-E170 IonicContact NH2-OE2 2.66Å; R148-E170 PolarHBondContact NH2-OE2 2.84Å; E166-E170 PolarHBondContact O-N 3.28Å; E166-E170 VanDerWaalsContact O-N 3.14Å; L167-E170 WeakPolarHBondContact O-CB 3.46Å; L167-E170 PolarHBondContact O-N 2.8Å; T168-E170 VanDerWaalsContact C-N 3.33Å; T168-E170 PolarHBondContact O-N 2.75Å; E170-F172 VanDerWaalsContact C-N 3.29Å; E170-F172 PolarHBondContact O-N 2.91Å; E170-A173 WeakPolarHBondContact O-CB 3.22Å; E170-A173 PolarHBondContact O-N 2.97Å; E170-A173 VanDerWaalsContact O-N 3.14Å; E170-L174 WeakPolarHBondContact O-CG 3.27Å; E170-L174 PolarHBondContact O-N 3.39Å
171I97.6Very high96.2Very high0 Ų047.3 Ų47.30%025%0.251CS..Hα-helixtrans-62-42.4179.1-63159.5000109.7F9 L11 V83 V117 L167 T168 A173 L174 V175F9-I171 HydrophobicContact CD1-CG2 4.13Å; F9-I171 HydrophobicContact CD2-CB 4.12Å; F9-I171 HydrophobicContact CD2-CG2 3.79Å; F9-I171 HydrophobicContact CE1-CG2 3.98Å; F9-I171 HydrophobicContact CE2-CB 3.89Å; F9-I171 HydrophobicContact CE2-CG2 3.63Å; F9-I171 HydrophobicContact CG-CG2 4.07Å; F9-I171 HydrophobicContact CZ-CB 4.39Å; F9-I171 HydrophobicContact CZ-CG2 3.74Å; L11-I171 HydrophobicContact CD2-CD1 3.77Å; V83-I171 HydrophobicContact CG1-CD1 4.28Å; V83-I171 HydrophobicContact CG1-CG2 4.06Å; V83-I171 HydrophobicContact CG2-CG2 3.62Å; V117-I171 HydrophobicContact CB-CG1 3.97Å; V117-I171 HydrophobicContact CG1-CG1 4.3Å; V117-I171 HydrophobicContact CG2-CG1 4.05Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.31Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.41Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 2.86Å; L167-I171 VanDerWaalsContact O-N 3.1Å; T168-I171 PolarHBondContact O-N 2.94Å; I171-A173 VanDerWaalsContact C-N 3.33Å; I171-A173 PolarHBondContact O-N 2.8Å; I171-L174 PolarHBondContact O-N 2.97Å; I171-V175 HydrophobicContact CG2-CG2 4.35Å; I171-V175 VanDerWaalsContact O-CG2 3.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.38Å; I171-V175 PolarHBondContact O-N 3.2Å
172F96.4Very high96Very high16 Ų1647.6 Ų47.67%0.0725%0.254CS..Hα-helixtrans-60.4-41.1176.3178.8-102.1000112.4L6 Y7 F9 I52 K56 I58 T168 R169 E170 V175 R176L6-F172 HydrophobicContact CD1-CE2 4.13Å; L6-F172 HydrophobicContact CD1-CZ 4.39Å; Y7-F172 AromaticContact CD2-CD2 3.93Å; Y7-F172 HydrophobicContact CD2-CD2 3.93Å; Y7-F172 AromaticContact CD2-CE2 3.95Å; Y7-F172 HydrophobicContact CD2-CE2 3.95Å; Y7-F172 HydrophobicContact CE2-CD2 4.05Å; Y7-F172 AromaticContact CE2-CE2 3.77Å; Y7-F172 HydrophobicContact CE2-CE2 3.77Å; F9-F172 HydrophobicContact CE2-CB 4.24Å; F9-F172 HydrophobicContact CZ-CB 4.25Å; I52-F172 HydrophobicContact CD1-CB 3.82Å; I52-F172 HydrophobicContact CD1-CD1 3.46Å; I52-F172 VanDerWaalsContact CD1-CD1 3.46Å; I52-F172 HydrophobicContact CD1-CD2 3.79Å; I52-F172 HydrophobicContact CD1-CE1 3.89Å; I52-F172 HydrophobicContact CD1-CE2 4.18Å; I52-F172 HydrophobicContact CD1-CG 3.4Å; I52-F172 HydrophobicContact CD1-CZ 4.23Å; K56-F172 HydrophobicContact CD-CE1 4.47Å; K56-F172 HydrophobicContact CD-CZ 4.15Å; I58-F172 HydrophobicContact CD1-CD2 3.93Å; I58-F172 HydrophobicContact CD1-CE2 4.32Å; T168-F172 VanDerWaalsContact O-CB 3.26Å; T168-F172 WeakPolarHBondContact O-CB 3.45Å; T168-F172 PolarHBondContact O-N 3.18Å; R169-F172 PolarHBondContact O-N 2.91Å; E170-F172 VanDerWaalsContact C-N 3.29Å; E170-F172 PolarHBondContact O-N 2.91Å; F172-V175 PolarHBondContact O-N 3.49Å; F172-R176 HydrophobicContact CD1-CG 4.16Å; F172-R176 HydrophobicContact CD2-CG 4.45Å; F172-R176 HydrophobicContact CE1-CG 3.8Å; F172-R176 HydrophobicContact CE2-CG 4.12Å; F172-R176 HydrophobicContact CG-CG 4.48Å; F172-R176 HydrophobicContact CZ-CG 3.77Å; F172-R176 VanDerWaalsContact O-CB 3.3Å; F172-R176 WeakPolarHBondContact O-CB 3.34Å; F172-R176 WeakPolarHBondContact O-CG 3.46Å; F172-R176 PolarHBondContact O-N 3.5Å
173A96.1Very high95.5Very high55 Ų5547.6 Ų47.646%0.45525%0.254SS..Hα-helixtrans-63.2-43.2176.300000111.8R169 E170 I171 R176 S177R169-A173 WeakPolarHBondContact O-CB 3.17Å; R169-A173 PolarHBondContact O-N 2.92Å; E170-A173 WeakPolarHBondContact O-CB 3.22Å; E170-A173 PolarHBondContact O-N 2.97Å; E170-A173 VanDerWaalsContact O-N 3.14Å; I171-A173 VanDerWaalsContact C-N 3.33Å; I171-A173 PolarHBondContact O-N 2.8Å; A173-R176 WeakPolarHBondContact O-CA 3.45Å; A173-R176 WeakPolarHBondContact O-CB 3.49Å; A173-R176 PolarHBondContact O-N 3.15Å; A173-R176 VanDerWaalsContact O-N 3.09Å; A173-S177 PolarHBondContact O-N 2.99Å; A173-S177 PolarHBondContact O-OG 2.87Å
174L96.1Very high95Very high48 Ų4856.9 Ų56.925%0.25130%0.298SS..Hα-helixtrans-66.5-36.5176.4-67.1169.2000112.7V117 E170 I171 R176 S177 G178 D179 I180V117-L174 HydrophobicContact CG2-CD1 3.58Å; E170-L174 WeakPolarHBondContact O-CG 3.27Å; E170-L174 PolarHBondContact O-N 3.39Å; I171-L174 PolarHBondContact O-N 2.97Å; L174-R176 VanDerWaalsContact C-N 3.25Å; L174-R176 PolarHBondContact O-N 3.41Å; L174-S177 WeakPolarHBondContact CA-OG 3.48Å; L174-S177 PolarHBondContact O-OG 3.01Å; L174-G178 PolarHBondContact O-N 3.22Å; L174-G178 VanDerWaalsContact O-N 3.11Å; L174-D179 HydrophobicContact CB-CB 4.32Å; L174-D179 HydrophobicContact CD2-CB 3.86Å; L174-D179 PolarHBondContact O-N 3.3Å; L174-I180 HydrophobicContact CB-CB 4.33Å; L174-I180 HydrophobicContact CB-CD1 3.77Å; L174-I180 HydrophobicContact CB-CG1 3.91Å; L174-I180 HydrophobicContact CD1-CD1 3.79Å; L174-I180 HydrophobicContact CD1-CG1 4.49Å; L174-I180 HydrophobicContact CG-CD1 4.44Å; L174-I180 PolarHBondContact O-N 3.34Å; L174-I180 VanDerWaalsContact O-N 3.11Å
175V94.9Very high94.4Very high18 Ų1860.2 Ų60.211%0.10933%0.332CS..Hα-helixtrans-65.2-35.2171.4171.60000110.9Y7 F9 I171 F172 I180 V189Y7-V175 HydrophobicContact CD1-CG1 4.32Å; Y7-V175 HydrophobicContact CE1-CG1 3.76Å; Y7-V175 HydrophobicContact CE2-CG1 4.02Å; F9-V175 HydrophobicContact CE1-CG2 4.23Å; F9-V175 HydrophobicContact CZ-CG2 4.39Å; I171-V175 HydrophobicContact CG2-CG2 4.35Å; I171-V175 VanDerWaalsContact O-CG2 3.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.38Å; I171-V175 PolarHBondContact O-N 3.2Å; F172-V175 PolarHBondContact O-N 3.49Å; V175-I180 WeakPolarHBondContact CA-O 3.14Å; V175-I180 HydrophobicContact CG2-CB 3.99Å; V175-I180 HydrophobicContact CG2-CG2 3.89Å; V175-V189 HydrophobicContact CG2-CG1 4.21Å; V175-V189 HydrophobicContact CG2-CG2 4.15Å
176R93.8Very high94.2Very high162 Ų16260.1 Ų60.161%0.61133%0.33SS*.Hα-helixtrans-75-34.2-178.7-79.7-86.630.2166.3-2.5113.6F172 A173 L174F172-R176 HydrophobicContact CD1-CG 4.16Å; F172-R176 HydrophobicContact CD2-CG 4.45Å; F172-R176 HydrophobicContact CE1-CG 3.8Å; F172-R176 HydrophobicContact CE2-CG 4.12Å; F172-R176 HydrophobicContact CG-CG 4.48Å; F172-R176 HydrophobicContact CZ-CG 3.77Å; F172-R176 VanDerWaalsContact O-CB 3.3Å; F172-R176 WeakPolarHBondContact O-CB 3.34Å; F172-R176 WeakPolarHBondContact O-CG 3.46Å; F172-R176 PolarHBondContact O-N 3.5Å; A173-R176 WeakPolarHBondContact O-CA 3.45Å; A173-R176 WeakPolarHBondContact O-CB 3.49Å; A173-R176 PolarHBondContact O-N 3.15Å; A173-R176 VanDerWaalsContact O-N 3.09Å; L174-R176 VanDerWaalsContact C-N 3.25Å; L174-R176 PolarHBondContact O-N 3.41Å
177S95.6Very high94Very high75 Ų7561.5 Ų61.552%0.52434%0.337SS..Hα-helixtrans-78.1-20.2173.957.80000113A173 L174 D179A173-S177 PolarHBondContact O-N 2.99Å; A173-S177 PolarHBondContact O-OG 2.87Å; L174-S177 WeakPolarHBondContact CA-OG 3.48Å; L174-S177 PolarHBondContact O-OG 3.01Å; S177-D179 WeakPolarHBondContact CB-OD2 3.39Å; S177-D179 VanDerWaalsContact OG-CG 3.32Å; S177-D179 PolarHBondContact OG-OD2 3.17Å
178G93.4Very high93.8Very high43 Ų4361.5 Ų61.544%0.44334%0.337SS..THydrogen-bonded Turntrans91.95-17700000114L174 I180L174-G178 PolarHBondContact O-N 3.22Å; L174-G178 VanDerWaalsContact O-N 3.11Å; G178-I180 VanDerWaalsContact C-N 3.25Å; G178-I180 PolarHBondContact O-N 3.03Å
179D93.5Very high93.7Very high123 Ų12361.5 Ų61.566%0.65834%0.337SS*.SBendtrans-68.7-27174.7-61.9-46.8000111.9L174 S177L174-D179 HydrophobicContact CB-CB 4.32Å; L174-D179 HydrophobicContact CD2-CB 3.86Å; L174-D179 PolarHBondContact O-N 3.3Å; S177-D179 WeakPolarHBondContact CB-OD2 3.39Å; S177-D179 VanDerWaalsContact OG-CG 3.32Å; S177-D179 PolarHBondContact OG-OD2 3.17Å
180I94.2Very high93.5Very high15 Ų1559.9 Ų59.98%0.07733%0.333CS..SBendtrans-120.4120.9168.3-64175.5000108.7V83 V117 L174 V175 G178 W186 V189V83-I180 HydrophobicContact CG2-CD1 3.85Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V117-I180 HydrophobicContact CG2-CD1 3.85Å; L174-I180 HydrophobicContact CB-CB 4.33Å; L174-I180 HydrophobicContact CB-CD1 3.77Å; L174-I180 HydrophobicContact CB-CG1 3.91Å; L174-I180 HydrophobicContact CD1-CD1 3.79Å; L174-I180 HydrophobicContact CD1-CG1 4.49Å; L174-I180 HydrophobicContact CG-CD1 4.44Å; L174-I180 PolarHBondContact O-N 3.34Å; L174-I180 VanDerWaalsContact O-N 3.11Å; V175-I180 WeakPolarHBondContact CA-O 3.14Å; V175-I180 HydrophobicContact CG2-CB 3.99Å; V175-I180 HydrophobicContact CG2-CG2 3.89Å; G178-I180 VanDerWaalsContact C-N 3.25Å; G178-I180 PolarHBondContact O-N 3.03Å; I180-W186 HydrophobicContact CG2-CH2 3.92Å; I180-W186 HydrophobicContact CG2-CZ3 3.96Å; I180-V189 HydrophobicContact CG2-CG2 3.79Å
181T91.9Very high93.2Very high70 Ų7060.4 Ų60.443%0.42934%0.342SS..  trans-112.1155.117955.70000111.6W186T181-W186 WeakPolarHBondContact O-CZ3 3.05Å
182I91.9Very high92.4Very high86 Ų8661 Ų6144%0.44135%0.348SS..  trans-69.3130.1166.6-63169.7000107.2Y7 V189Y7-I182 HydrophobicContact CD1-CD1 4.47Å; Y7-I182 HydrophobicContact CE1-CD1 4.24Å; I182-V189 HydrophobicContact CG1-CB 4.37Å; I182-V189 HydrophobicContact CG1-CG1 3.88Å
183Q88.7Confident91.4Very high84 Ų8464.7 Ų64.739%0.39336%0.364SS..  trans-126.1145.6179.5-58.8-170.525.300110.5H114 G185 W186H114-Q183 VanDerWaalsContact NE2-CD 3.25Å; H114-Q183 PolarHBondContact NE2-NE2 3.44Å; H114-Q183 PolarHBondContact NE2-OE1 3.25Å; H114-Q183 VanDerWaalsContact NE2-OE1 3.09Å; Q183-G185 PolarHBondContact O-N 3.12Å; Q183-W186 HydrophobicContact CB-CB 4.08Å; Q183-W186 PolarHBondContact O-N 3.08Å
184E87.1Confident90Very high194 Ų19464.1 Ų64.191%0.90736%0.355SS*.THydrogen-bonded Turntrans-62.7132.6176.3-164.8-174.4170.300110.6W186E184-W186 PolarHBondContact O-N 3.42Å
185G86.9Confident87.9Confident70 Ų7064 Ų6472%0.72236%0.357SS*.THydrogen-bonded Turntrans73.20.7-179.100000115.5Q183Q183-G185 PolarHBondContact O-N 3.12Å
186W92.5Very high85.9Confident13 Ų1370.4 Ų70.45%0.04939%0.391CS..  trans-102.3127.4172.5-174.654.1000111.6R80 V83 H114 I180 T181 Q183 E184 V189R80-W186 VanDerWaalsContact O-CD1 3.25Å; R80-W186 PolarHBondContact O-NE1 3.09Å; V83-W186 HydrophobicContact CB-CH2 3.96Å; V83-W186 HydrophobicContact CB-CZ2 4.08Å; V83-W186 HydrophobicContact CG2-CH2 3.84Å; V83-W186 HydrophobicContact CG2-CZ2 4.38Å; H114-W186 HydrophobicContact CB-CZ2 3.97Å; H114-W186 AromaticContact CD2-CD2 3.35Å; H114-W186 AromaticContact CD2-CE2 3.39Å; H114-W186 AromaticContact CD2-CE3 3.64Å; H114-W186 AromaticContact CD2-CG 3.82Å; H114-W186 AromaticContact CD2-CH2 3.98Å; H114-W186 AromaticContact CD2-CZ2 3.72Å; H114-W186 AromaticContact CD2-CZ3 3.94Å; H114-W186 AromaticContact CD2-NE1 3.83Å; H114-W186 AromaticContact CE1-CD1 3.71Å; H114-W186 AromaticContact CE1-CG 3.66Å; H114-W186 AromaticContact CG-CD2 4Å; H114-W186 AromaticContact CG-CE2 3.62Å; H114-W186 AromaticContact CG-CZ2 3.95Å; H114-W186 AromaticContact CG-NE1 3.67Å; H114-W186 AromaticContact ND1-CD1 3.83Å; H114-W186 AromaticContact ND1-NE1 3.84Å; H114-W186 AromaticContact NE2-CD1 3.85Å; H114-W186 AromaticContact NE2-CD2 3.4Å; H114-W186 AromaticContact NE2-CE2 3.88Å; H114-W186 AromaticContact NE2-CE3 3.78Å; H114-W186 AromaticContact NE2-CG 3.41Å; I180-W186 HydrophobicContact CG2-CH2 3.92Å; I180-W186 HydrophobicContact CG2-CZ3 3.96Å; T181-W186 WeakPolarHBondContact O-CZ3 3.05Å; Q183-W186 HydrophobicContact CB-CB 4.08Å; Q183-W186 PolarHBondContact O-N 3.08Å; E184-W186 PolarHBondContact O-N 3.42Å; W186-V189 HydrophobicContact CH2-CG2 4.15Å; W186-V189 HydrophobicContact CZ3-CB 4.28Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å
187E93.1Very high83.9Confident60 Ų6066.5 Ų66.528%0.2838%0.384SS..  trans-95.93.6-173.7-65.6-72.9133.200113.7R10 N81 K190R10-E187 WeakPolarHBondContact CB-O 3.13Å; N81-E187 HydrophobicContact CB-CB 3.95Å; N81-E187 CarbonylContact O-C 3.58Å; N81-E187 PolarHBondContact OD1-N 3.21Å; E187-K190 WeakPolarHBondContact OE1-CE 3.21Å; E187-K190 IonicContact OE1-NZ 3.1Å; E187-K190 PolarHBondContact OE1-NZ 3.38Å; E187-K190 WeakPolarHBondContact OE2-CE 3.45Å; E187-K190 IonicContact OE2-NZ 2.7Å; E187-K190 PolarHBondContact OE2-NZ 3.34Å
188G93.8Very high81.3Confident0 Ų069.1 Ų69.10%040%0.397CS..SBendtrans-64.9-45.9-176.800000112.9F9 R10 N81 V83F9-G188 WeakPolarHBondContact CA-O 3.44Å; R10-G188 PolarHBondContact N-O 3.09Å; N81-G188 WeakPolarHBondContact O-CA 3.45Å; N81-G188 PolarHBondContact O-N 3.24Å; V83-G188 WeakPolarHBondContact CG1-O 3.15Å
189V95.7Very high79.1Confident0 Ų073.4 Ų73.40%041%0.405CS..EExtended strand (participates in β ladder)trans-129.2128.1177.5-175.80000109.8Y7 Q8 F9 V83 V175 I180 I182 W186Y7-V189 HydrophobicContact CD1-CG1 4.03Å; Q8-V189 WeakPolarHBondContact O-CA 3.31Å; F9-V189 HydrophobicContact CD1-CB 4.46Å; F9-V189 HydrophobicContact CD1-CG1 4.06Å; F9-V189 HydrophobicContact CD1-CG2 4.06Å; F9-V189 HydrophobicContact CE1-CG1 3.83Å; F9-V189 HydrophobicContact CE1-CG2 4.21Å; V83-V189 HydrophobicContact CB-CG2 3.94Å; V83-V189 HydrophobicContact CG1-CG2 4.12Å; V83-V189 HydrophobicContact CG2-CG2 3.62Å; V175-V189 HydrophobicContact CG2-CG1 4.21Å; V175-V189 HydrophobicContact CG2-CG2 4.15Å; I180-V189 HydrophobicContact CG2-CG2 3.79Å; I182-V189 HydrophobicContact CG1-CB 4.37Å; I182-V189 HydrophobicContact CG1-CG1 3.88Å; W186-V189 HydrophobicContact CH2-CG2 4.15Å; W186-V189 HydrophobicContact CZ3-CB 4.28Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å
190K94.4Very high76.4Confident75 Ų7572.2 Ų72.233%0.32641%0.406SS..EExtended strand (participates in β ladder)trans-121.5148.9168.4-67.4-173.3165.2177.10110.8Y7 Q8 E187Y7-K190 CarbonylContact C-O 3.32Å; Y7-K190 VanDerWaalsContact CA-O 3.26Å; Y7-K190 WeakPolarHBondContact CA-O 3.24Å; Q8-K190 HydrophobicContact CB-CB 4.25Å; Q8-K190 PolarHBondContact N-O 2.87Å; Q8-K190 PolarHBondContact O-N 3.33Å; E187-K190 WeakPolarHBondContact OE1-CE 3.21Å; E187-K190 IonicContact OE1-NZ 3.1Å; E187-K190 PolarHBondContact OE1-NZ 3.38Å; E187-K190 WeakPolarHBondContact OE2-CE 3.45Å; E187-K190 IonicContact OE2-NZ 2.7Å; E187-K190 PolarHBondContact OE2-NZ 3.34Å
191S90.3Very high73.7Confident62 Ų6277 Ų7743%0.43444%0.441SS..EExtended strand (participates in β ladder)trans-63155.1170.352.90000111.2
192G80.2Confident71.2Confident12 Ų1281.7 Ų81.712%0.12446%0.458CS..PPolyproline II helixtrans-59149177.600000114W5 L6W5-G192 WeakPolarHBondContact O-CA 3.1Å; L6-G192 VanDerWaalsContact O-CA 3.25Å; L6-G192 WeakPolarHBondContact O-CA 3.28Å; L6-G192 PolarHBondContact O-N 2.7Å
193F75.4Confident68.5Low93 Ų9386.5 Ų86.541%0.40848%0.479SS..PPolyproline II helixtrans-82122.5173.1-178.4-103.8000110.5A3 I4 W5 P195A3-F193 WeakPolarHBondContact CA-O 3.21Å; I4-F193 HydrophobicContact CD1-CD1 4.17Å; I4-F193 PolarHBondContact N-O 2.82Å; W5-F193 HydrophobicContact CH2-CB 3.78Å; W5-F193 HydrophobicContact CH2-CD1 4.45Å; W5-F193 HydrophobicContact CH2-CG 4.38Å; W5-F193 HydrophobicContact CZ2-CB 3.32Å; W5-F193 HydrophobicContact CZ2-CG 4.29Å; F193-P195 HydrophobicContact CD1-CG 4.17Å; F193-P195 HydrophobicContact CE1-CB 4.08Å; F193-P195 HydrophobicContact CE1-CG 3.88Å
194V66.3Low66Low44 Ų4489 Ų8927%0.26750%0.5SS..  trans-103.4114.2167.7-173.90000107.4M1 A3 N196 V197M1-V194 HydrophobicContact CB-CG1 4.31Å; A3-V194 HydrophobicContact CB-CG2 3.97Å; V194-N196 PolarHBondContact O-N 2.74Å; V194-V197 HydrophobicContact CB-CG2 3.93Å; V194-V197 HydrophobicContact CG1-CG2 3.92Å; V194-V197 PolarHBondContact O-N 2.61Å
195P53.3Low63.6Low46 Ų4686 Ų8630%0.29949%0.494SS..THydrogen-bonded Turntrans-54.7135.1175.7-2332.4000111I4 F193I4-P195 HydrophobicContact CD1-CG 3.86Å; I4-P195 HydrophobicContact CG1-CG 4.03Å; F193-P195 HydrophobicContact CD1-CG 4.17Å; F193-P195 HydrophobicContact CE1-CB 4.08Å; F193-P195 HydrophobicContact CE1-CG 3.88Å
196N52.8Low61.1Low152 Ų15292.4 Ų92.481%0.81350%0.502SS*.THydrogen-bonded Turntrans76.39.4179.9-54.1-30.6000117.9V194V194-N196 PolarHBondContact O-N 2.74Å
197V50.4Low58.4Low79 Ų7996.1 Ų96.148%0.47953%0.53SS..  trans-90.2104.3162.1-176.30000107.6V194 H199V194-V197 HydrophobicContact CB-CG2 3.93Å; V194-V197 HydrophobicContact CG1-CG2 3.92Å; V194-V197 PolarHBondContact O-N 2.61Å; V197-H199 PolarHBondContact O-N 3.07Å; V197-H199 VanDerWaalsContact O-N 3.07Å
198V42.6Very low56.2Low130 Ų130100.4 Ų100.479%0.78856%0.555SS**  trans-64.1108.7164.1-176.40000105.5S200V198-S200 PolarHBondContact O-N 3.03Å
199H46.3Very low53.7Low133 Ų133111.3 Ų111.362%0.61660%0.596SS**  trans-63.996.8164.3-79.2-72.7000106.1V197 S201V197-H199 PolarHBondContact O-N 3.07Å; V197-H199 VanDerWaalsContact O-N 3.07Å; H199-S201 PolarHBondContact O-N 2.87Å
200S35.9Very low51.1Low98 Ų98121.9 Ų121.969%0.68564%0.636SS**  trans-60.1109.617053.70000106.7V198 E202V198-S200 PolarHBondContact O-N 3.03Å; S200-E202 PolarHBondContact O-N 3.13Å; S200-E202 VanDerWaalsContact O-N 3.13Å
201S37.5Very low48.4Very low115 Ų115124.3 Ų124.380%0.80466%0.661SS**  trans-49.9120157.3-6.60000106.2H199 E203H199-S201 PolarHBondContact O-N 2.87Å; S201-E203 PolarHBondContact O-N 3.07Å
202E39.9Very low46.3Very low170 Ų170129.2 Ų129.279%0.79468%0.682SS**  trans-49.1131.9-176.6-69.5170.3151.900110.5S200 V204S200-E202 PolarHBondContact O-N 3.13Å; S200-E202 VanDerWaalsContact O-N 3.13Å; E202-V204 PolarHBondContact O-N 3.34Å; E202-V204 VanDerWaalsContact O-N 3.07Å
203E35.3Very low44.9Very low187 Ų187137.6 Ų137.687%0.87474%0.737SS**  trans-55.6114.4173.6-71.1-179.2148.100108.8S201 T205S201-E203 PolarHBondContact O-N 3.07Å; E203-T205 PolarHBondContact O-N 2.89Å
204V37.4Very low43.4Very low136 Ų136139.9 Ų139.982%0.82475%0.753SS**  trans-56.9104.8164176.20000106.7E202 K206E202-V204 PolarHBondContact O-N 3.34Å; E202-V204 VanDerWaalsContact O-N 3.07Å; V204-K206 PolarHBondContact O-N 2.92Å
205T36.1Very low42.2Very low130 Ų130144.9 Ų144.980%0.79878%0.779SS**  trans-53.910716946.60000108E203 S207E203-T205 PolarHBondContact O-N 2.89Å; T205-S207 PolarHBondContact O-N 2.91Å
206K34Very low41.6Very low205 Ų205150.4 Ų150.489%0.89181%0.805SS**  trans-58.7101.7169.7-96.4177.9172.8174.40107.7V204 D208V204-K206 PolarHBondContact O-N 2.92Å; K206-D208 PolarHBondContact O-N 3.29Å
207S36.8Very low40.9Very low91 Ų91150.3 Ų150.364%0.63681%0.805SS**  trans-66.8119163.272.80000107.8T205 R209T205-S207 PolarHBondContact O-N 2.91Å; S207-R209 PolarHBondContact O-N 3.01Å
208D45.1Very low40.4Very low150 Ų150154.8 Ų154.880%0.80283%0.825SS**  trans-48.4108.5167.9-101.6-27000110.3K206K206-D208 PolarHBondContact O-N 3.29Å
209R43.1Very low40.2Very low229 Ų229156.4 Ų156.486%0.86483%0.828SS**  trans-111.895.8157.6-72.6-168.6-173.7-166.72.5107.3S207 C211S207-R209 PolarHBondContact O-N 3.01Å; R209-C211 PolarHBondContact O-N 3.19Å
210R39.8Very low39.8Very low222 Ų222158.1 Ų158.184%0.83884%0.843SS**  trans-58.6116.6162.8-72.6-179-173.61781.8107.8L212R210-L212 PolarHBondContact O-N 3.5Å
211C39.1Very low40.1Very low126 Ų126162.7 Ų162.785%0.85186%0.855SS**  trans-73.2119.2166.9-164.10000107.2R209R209-C211 PolarHBondContact O-N 3.19Å
212L46Very low40.3Very low166 Ų166166.7 Ų166.787%0.86986%0.859SS**  trans-91.5106.9169.6-84.4145.6000107.3R210R210-L212 PolarHBondContact O-N 3.5Å
213C50.8Low40.3Very low188 Ų188166.4 Ų166.4100%1.2787%0.865SS**  trans-680148.353.80000109.9

Retrieved 213 of 213 residues in 75.8 ms (Link to these results)

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