A0A060WDU8_ONCMY Loading...

Ras-related protein Rab-39B

AlphaFold DB (A0A673YKM8), UniProt , Accession A0A060WDU8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), 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
1M52.3Low85.2Confident194 Ų19465.4 Ų65.496%0.95632%0.319SS*.  0120.50-82.1-179.6-82.300106.9
2E60.8Low86.2Confident184 Ų18459.9 Ų59.986%0.8629%0.293SS*.  trans-86.6137.7-176.8-69.5178.4173.100109.9
3A67.3Low87.1Confident39 Ų3955.3 Ų55.332%0.32227%0.27SS..  trans-63.8139.4174.500000109.5W5 V194A3-W5 VanDerWaalsContact CB-O 3.29Å; A3-W5 WeakPolarHBondContact CB-O 3.24Å; A3-W5 PolarHBondContact O-N 3.42Å; A3-V194 HydrophobicContact CB-CG2 4.44Å
4I85.4Confident87.8Confident79 Ų7951.4 Ų51.441%0.40525%0.251SS..SBendtrans-62.7-29.8-179.5-56.4173.2000110.6L193 P195I4-L193 HydrophobicContact CD1-CD2 4.47Å; I4-L193 PolarHBondContact N-O 2.82Å; I4-P195 HydrophobicContact CD1-CG 3.96Å; I4-P195 HydrophobicContact CG1-CG 4.13Å
5W91.8Very high88.4Confident32 Ų3247.9 Ų47.912%0.12123%0.234CC..  trans-145.4154.9170.956.584.3000109.2A3 Y7 L49 R57 K59 G192 L193A3-W5 VanDerWaalsContact CB-O 3.29Å; A3-W5 WeakPolarHBondContact CB-O 3.24Å; A3-W5 PolarHBondContact O-N 3.42Å; W5-Y7 VanDerWaalsContact CD1-C 3.49Å; W5-L49 HydrophobicContact CB-CD2 3.88Å; W5-L49 HydrophobicContact CD2-CD2 4.22Å; W5-L49 HydrophobicContact CE3-CD2 3.86Å; W5-L49 HydrophobicContact CG-CD2 4.26Å; W5-R57 CarbonylContact C-O 3.54Å; W5-R57 VanDerWaalsContact CA-O 3.3Å; W5-R57 WeakPolarHBondContact CA-O 3.48Å; W5-R57 HydrophobicContact CB-CB 4.3Å; W5-R57 WeakPolarHBondContact CB-O 3.41Å; W5-K59 HydrophobicContact CB-CB 4.43Å; W5-K59 HydrophobicContact CD2-CB 3.92Å; W5-K59 HydrophobicContact CD2-CD 4.13Å; W5-K59 HydrophobicContact CE3-CD 4.31Å; W5-K59 HydrophobicContact CG-CB 3.85Å; W5-K59 HydrophobicContact CH2-CD 3.97Å; W5-K59 HydrophobicContact CZ2-CD 3.72Å; W5-K59 HydrophobicContact CZ3-CD 4.25Å; W5-G192 WeakPolarHBondContact O-CA 3.26Å; W5-L193 HydrophobicContact CH2-CB 3.78Å; W5-L193 HydrophobicContact CH2-CD2 4.38Å; W5-L193 HydrophobicContact CZ2-CB 3.4Å; W5-L193 HydrophobicContact CZ2-CG 4.49Å
6L93.1Very high88.9Confident68 Ų6846.4 Ų46.436%0.35623%0.227SC..SBendtrans-77.4-43179.5-63.8176.6000112.4K56 R57 I58 F172 G192L6-K56 HydrophobicContact CD1-CB 3.79Å; L6-K56 HydrophobicContact CD1-CD 4.16Å; L6-K56 HydrophobicContact CD1-CG 3.84Å; L6-R57 PolarHBondContact N-O 2.93Å; L6-I58 HydrophobicContact CB-CD1 4.12Å; L6-F172 HydrophobicContact CD1-CE2 4.16Å; L6-G192 WeakPolarHBondContact O-CA 3.1Å; L6-G192 PolarHBondContact O-N 2.74Å
7Y95.6Very high89.2Confident61 Ų6145.7 Ų45.724%0.23923%0.228CC..EExtended strand (participates in β ladder)trans-141.1157.9179.3-60.7-78.5000111.2W5 F9 I58 K59 F172 V175 I182 V189 K190W5-Y7 VanDerWaalsContact CD1-C 3.49Å; Y7-F9 VanDerWaalsContact CB-CE1 3.45Å; Y7-F9 HydrophobicContact CD2-CZ 4.47Å; Y7-F9 HydrophobicContact CG-CE1 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.4Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 WeakPolarHBondContact O-CA 3.49Å; Y7-I58 WeakPolarHBondContact O-CG2 3.3Å; Y7-K59 PolarHBondContact O-N 3.16Å; Y7-F172 AromaticContact CD2-CD2 4Å; Y7-F172 HydrophobicContact CD2-CD2 4Å; Y7-F172 HydrophobicContact CD2-CE2 4.07Å; Y7-F172 HydrophobicContact CE2-CD2 4.1Å; Y7-F172 AromaticContact CE2-CE2 3.85Å; Y7-F172 HydrophobicContact CE2-CE2 3.85Å; Y7-V175 HydrophobicContact CD1-CG1 4.34Å; Y7-V175 HydrophobicContact CE1-CG1 3.77Å; Y7-V175 HydrophobicContact CE2-CG1 4.02Å; Y7-I182 HydrophobicContact CD1-CD1 4.36Å; Y7-I182 HydrophobicContact CE1-CD1 4.13Å; Y7-V189 HydrophobicContact CD1-CG1 4.04Å; Y7-K190 CarbonylContact C-O 3.53Å; Y7-K190 VanDerWaalsContact CA-O 3.23Å; Y7-K190 WeakPolarHBondContact CA-O 3.24Å
8Q97.1Very high89.4Confident20 Ų2048.8 Ų48.89%0.09325%0.25CS..EExtended strand (participates in β ladder)trans-112126.9164.7-177-175.3-88.200108.8K59 Q61 V189 K190Q8-K59 CarbonylContact C-O 3.57Å; Q8-K59 WeakPolarHBondContact CA-O 3.5Å; Q8-K59 HydrophobicContact CB-CB 4.23Å; Q8-K59 HydrophobicContact CG-CB 4.14Å; Q8-K59 HydrophobicContact CG-CD 4.24Å; Q8-K59 HydrophobicContact CG-CG 4.21Å; Q8-Q61 HydrophobicContact CG-CG 4.03Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.28Å; Q8-V189 WeakPolarHBondContact O-CA 3.25Å; Q8-K190 HydrophobicContact CB-CB 4.27Å; Q8-K190 PolarHBondContact N-O 2.7Å; Q8-K190 PolarHBondContact O-N 3.03Å
9F97.9Very high89.8Confident0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-111.7135.6177-61.6-21.7000110.8Y7 L11 I58 K59 L60 Q61 V83 T168 I171 F172 V175 G188 V189Y7-F9 VanDerWaalsContact CB-CE1 3.45Å; Y7-F9 HydrophobicContact CD2-CZ 4.47Å; Y7-F9 HydrophobicContact CG-CE1 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.4Å; F9-L11 HydrophobicContact CB-CD2 4.43Å; F9-I58 HydrophobicContact CD1-CG2 4.45Å; F9-I58 HydrophobicContact CD2-CG2 3.54Å; F9-I58 HydrophobicContact CE2-CG2 3.68Å; F9-I58 HydrophobicContact CG-CG2 3.94Å; F9-I58 HydrophobicContact CZ-CD1 4.45Å; F9-I58 HydrophobicContact CZ-CG2 4.19Å; F9-K59 PolarHBondContact N-O 2.88Å; F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; F9-Q61 PolarHBondContact O-N 3.34Å; F9-V83 HydrophobicContact CB-CG1 3.82Å; F9-V83 HydrophobicContact CD1-CG1 4.37Å; F9-V83 HydrophobicContact CG-CG1 4.17Å; F9-T168 HydrophobicContact CD2-CG2 3.99Å; F9-T168 HydrophobicContact CE2-CG2 3.95Å; F9-I171 HydrophobicContact CD1-CG2 4.12Å; F9-I171 HydrophobicContact CD2-CB 4.1Å; F9-I171 HydrophobicContact CD2-CD1 4.33Å; F9-I171 HydrophobicContact CD2-CG2 3.8Å; F9-I171 HydrophobicContact CE1-CG2 3.92Å; F9-I171 HydrophobicContact CE2-CB 3.83Å; F9-I171 HydrophobicContact CE2-CG2 3.59Å; F9-I171 HydrophobicContact CG-CG2 4.09Å; F9-I171 HydrophobicContact CZ-CB 4.32Å; F9-I171 HydrophobicContact CZ-CG2 3.67Å; F9-F172 HydrophobicContact CE2-CB 4.3Å; F9-F172 HydrophobicContact CZ-CB 4.3Å; F9-V175 HydrophobicContact CE1-CG2 4.26Å; F9-V175 HydrophobicContact CZ-CG2 4.42Å; F9-G188 WeakPolarHBondContact CA-O 3.48Å; F9-V189 HydrophobicContact CD1-CB 4.44Å; F9-V189 HydrophobicContact CD1-CG1 4.02Å; F9-V189 HydrophobicContact CD1-CG2 4.06Å; F9-V189 HydrophobicContact CE1-CG1 3.79Å; F9-V189 HydrophobicContact CE1-CG2 4.22Å
10R97.5Very high90.2Very high42 Ų4244.6 Ų44.616%0.15823%0.231CC..EExtended strand (participates in β ladder)trans-93.2118.8168-76-171.7177.1-174.58.4110.6Q61 N81 S82 V83 G84 E187 G188R10-Q61 CarbonylContact C-O 3.52Å; R10-Q61 WeakPolarHBondContact CA-O 2.83Å; R10-Q61 HydrophobicContact CG-CB 3.96Å; R10-Q61 VanDerWaalsContact NE-OE1 3.08Å; R10-N81 VanDerWaalsContact CB-O 3.23Å; R10-N81 WeakPolarHBondContact CB-O 3.19Å; R10-N81 VanDerWaalsContact CD-O 3.24Å; R10-N81 WeakPolarHBondContact CD-O 3.29Å; R10-S82 WeakPolarHBondContact O-CA 3.27Å; R10-V83 WeakPolarHBondContact O-CG1 3.4Å; R10-V83 PolarHBondContact O-N 2.81Å; R10-G84 PolarHBondContact O-N 3.09Å; R10-E187 WeakPolarHBondContact CD-O 3.31Å; R10-E187 WeakPolarHBondContact CG-O 3.42Å; R10-E187 IonicContact CZ-OE2 3.29Å; R10-E187 VanDerWaalsContact CZ-OE2 3.31Å; R10-E187 IonicContact NE-OE2 2.85Å; R10-E187 VanDerWaalsContact NH1-CB 3.26Å; R10-E187 IonicContact NH2-OE2 2.67Å; R10-E187 PolarHBondContact NH2-OE2 3.13Å; R10-G188 PolarHBondContact N-O 3.02Å
11L98.3Very high90.5Very high0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-109.5144.4177.2-54.1-174.6000110F9 L60 Q61 I62 W63 G84 F164 L167 I171F9-L11 HydrophobicContact CB-CD2 4.43Å; L11-L60 HydrophobicContact CD1-CB 4.43Å; L11-L60 HydrophobicContact CD1-CD1 4Å; L11-L60 HydrophobicContact CD1-CD2 4.02Å; L11-L60 HydrophobicContact CD1-CG 4.38Å; L11-L60 HydrophobicContact CG-CD2 4.46Å; L11-Q61 PolarHBondContact N-O 3.07Å; L11-I62 HydrophobicContact CB-CG1 4.43Å; L11-I62 HydrophobicContact CD1-CG1 4.48Å; L11-I62 WeakPolarHBondContact O-CA 3.37Å; L11-W63 PolarHBondContact O-N 3.38Å; L11-G84 VanDerWaalsContact CA-O 3.28Å; L11-G84 WeakPolarHBondContact CA-O 3.12Å; L11-F164 HydrophobicContact CD1-CD1 4.23Å; L11-L167 HydrophobicContact CD1-CD2 4.3Å; L11-L167 HydrophobicContact CD2-CD2 4.11Å; L11-L167 HydrophobicContact CD2-CG 4.49Å; L11-I171 HydrophobicContact CD2-CD1 3.75Å
12I97.1Very high92.6Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-117.8140.4171-164.9174.3000110.2I14 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 4.32Å; I12-T65 HydrophobicContact CD1-CG2 3.81Å; I12-T65 HydrophobicContact CG1-CG2 3.55Å; I12-T75 HydrophobicContact CD1-CG2 4.39Å; I12-Y79 HydrophobicContact CD1-CD1 3.69Å; I12-Y79 HydrophobicContact CD1-CE1 3.84Å; I12-G84 PolarHBondContact N-O 3Å; I12-G85 CarbonylContact O-C 3.52Å; I12-G85 WeakPolarHBondContact O-CA 3.36Å; I12-L86 PolarHBondContact O-N 3.22Å; I12-I116 HydrophobicContact CG2-CD1 4.4Å
13V97.9Very high94.3Very high0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans-111.1121.2173.8-1720000108.1K21 I25 I62 W63 T65 L86 L88V13-K21 HydrophobicContact CG1-CB 3.78Å; V13-K21 HydrophobicContact CG1-CD 4.06Å; 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 4.28Å; V13-I25 HydrophobicContact CG2-CD1 3.56Å; V13-I25 HydrophobicContact CG2-CG1 3.81Å; V13-I62 HydrophobicContact CG2-CG2 3.82Å; V13-W63 PolarHBondContact N-O 2.65Å; V13-T65 WeakPolarHBondContact O-CG2 3.16Å; V13-T65 PolarHBondContact O-OG1 3.09Å; V13-L86 WeakPolarHBondContact CA-O 3.21Å; V13-L86 HydrophobicContact CG1-CB 4.34Å; V13-L86 HydrophobicContact CG2-CB 4.42Å; V13-L86 HydrophobicContact CG2-CD1 4.03Å; V13-L88 HydrophobicContact CG1-CD1 3.63Å; V13-L88 HydrophobicContact CG1-CD2 4.29Å
14I97.2Very high95.7Very high0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans-131.7166.3-175.460.7169.9000111.7I12 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 4.34Å; I14-T75 HydrophobicContact CG2-CG2 4.16Å; I14-Y79 HydrophobicContact CD1-CE1 4.18Å; I14-Y79 HydrophobicContact CG2-CE1 3.89Å; I14-L86 PolarHBondContact N-O 3.34Å; I14-L87 HydrophobicContact CD1-CD1 4.06Å; I14-L87 HydrophobicContact CG1-CB 4.46Å; I14-L87 HydrophobicContact CG1-CD1 3.85Å; I14-L88 PolarHBondContact O-N 3.09Å; I14-W103 HydrophobicContact CB-CE3 4.1Å; I14-W103 HydrophobicContact CB-CZ3 4.39Å; I14-W103 HydrophobicContact CD1-CB 4.39Å; I14-W103 HydrophobicContact CD1-CE3 4.43Å; I14-A107 HydrophobicContact CD1-CB 4.25Å; I14-F118 HydrophobicContact CD1-CE1 3.64Å; I14-F118 HydrophobicContact CD1-CZ 3.87Å; I14-F118 HydrophobicContact CG1-CE1 4.1Å
15G97.1Very high96.3Very high0 Ų020.8 Ų20.80%011%0.111CC..EExtended strand (participates in β ladder)trans134.3171.7-172.500000111K21 G67 L88 W103G15-K21 PolarHBondContact O-NZ 2.86Å; G15-G67 VanDerWaalsContact O-CA 3.31Å; G15-G67 WeakPolarHBondContact O-CA 3.2Å; G15-L88 WeakPolarHBondContact CA-O 3.39Å; G15-W103 VanDerWaalsContact C-CE2 3.46Å; G15-W103 VanDerWaalsContact O-CZ2 3.29Å; G15-W103 WeakPolarHBondContact O-CZ2 3.46Å
16D96Very high96.5Very high23 Ų2323.6 Ų23.612%0.12312%0.122CC..SBendtrans-57.5162.1-175.6-82.48.6000113.5V19 K21 N99 W103D16-V19 HydrophobicContact CB-CG1 3.72Å; D16-V19 VanDerWaalsContact O-CG2 3.22Å; D16-V19 WeakPolarHBondContact O-CG2 3.48Å; D16-K21 PolarHBondContact O-NZ 2.96Å; D16-N99 PolarHBondContact OD1-ND2 2.69Å; D16-N99 PolarHBondContact OD2-ND2 3.3Å; D16-W103 PolarHBondContact OD1-NE1 3.29Å
17S93.6Very high96.7Very high35 Ų3523 Ų2325%0.24512%0.115CC..THydrogen-bonded Turntrans-56.6152.7167.3-165.50000110.1V19 G67S17-V19 PolarHBondContact O-N 3.04Å; S17-G67 PolarHBondContact N-O 3.4Å
18T94.1Very high96.8Very high102 Ų10220.2 Ų20.263%0.62610%0.104SC*.THydrogen-bonded Turntrans62.4-0.8175.877.90000117.7G20 K124T18-G20 PolarHBondContact O-N 3.2Å; T18-K124 WeakPolarHBondContact O-CE 3.29Å; T18-K124 PolarHBondContact O-NZ 3.46Å
19V96.9Very high96.7Very high0 Ų020.8 Ų20.80%011%0.109CC..SBendtrans-67.4-17.8176.2-55.90000113.9D16 S17 K21 L88 D90 H123 K124D16-V19 HydrophobicContact CB-CG1 3.72Å; D16-V19 VanDerWaalsContact O-CG2 3.22Å; D16-V19 WeakPolarHBondContact O-CG2 3.48Å; S17-V19 PolarHBondContact O-N 3.04Å; V19-K21 HydrophobicContact CG2-CG 3.81Å; V19-L88 HydrophobicContact CG2-CB 3.8Å; V19-D90 HydrophobicContact CB-CB 4.19Å; V19-D90 HydrophobicContact CG1-CB 4.19Å; V19-H123 PolarHBondContact O-CD2 3.19Å; V19-K124 WeakPolarHBondContact O-CE 3.4Å
20G96.6Very high96.5Very high12 Ų1224.6 Ų24.612%0.12413%0.127CC..SBendtrans107.620.6174.200000116.3T18 S22 C23 L24T18-G20 PolarHBondContact O-N 3.2Å; G20-S22 PolarHBondContact O-N 2.98Å; G20-C23 PolarHBondContact O-N 3.03Å; G20-L24 PolarHBondContact O-N 3.21Å
21K96.9Very high96.2Very high11 Ų1124.8 Ų24.85%0.04814%0.142CC..Hα-helixtrans-49.6-57.8177.9-59.3-171.7-65.1-740113.3V13 G15 D16 V19 C23 L24 I25 D64 T65 G67 L88V13-K21 HydrophobicContact CG1-CB 3.78Å; V13-K21 HydrophobicContact CG1-CD 4.06Å; V13-K21 HydrophobicContact CG1-CG 3.82Å; G15-K21 PolarHBondContact O-NZ 2.86Å; D16-K21 PolarHBondContact O-NZ 2.96Å; V19-K21 HydrophobicContact CG2-CG 3.81Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.09Å; K21-L24 PolarHBondContact O-N 2.96Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 2.89Å; K21-D64 WeakPolarHBondContact CB-OD1 3.41Å; K21-T65 WeakPolarHBondContact CE-O 3.49Å; K21-G67 VanDerWaalsContact NZ-CA 3.28Å; K21-L88 HydrophobicContact CB-CD2 4.43Å; K21-L88 HydrophobicContact CG-CB 4.4Å; K21-L88 HydrophobicContact CG-CD2 4Å
22S95.8Very high95.6Very high11 Ų1132.5 Ų32.58%0.07717%0.172CC..Hα-helixtrans-60.9-39.3179.2-42.40000112.4G20 I25 R26 T40 D64G20-S22 PolarHBondContact O-N 2.98Å; S22-I25 PolarHBondContact O-N 3.23Å; S22-R26 WeakPolarHBondContact O-CB 3.39Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.42Å; S22-R26 PolarHBondContact O-N 3.39Å; S22-T40 PolarHBondContact OG-OG1 3.44Å; S22-D64 WeakPolarHBondContact CA-OD2 3.32Å; S22-D64 WeakPolarHBondContact CB-OD2 3.49Å; S22-D64 PolarHBondContact OG-OD1 3.42Å; S22-D64 PolarHBondContact OG-OD2 2.56Å
23C96.6Very high95.1Very high19 Ų1935.5 Ų35.513%0.12818%0.184CC..Hα-helixtrans-65-42.4177.3-63.30000111.8G20 K21 R27 F33 A154G20-C23 PolarHBondContact O-N 3.03Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.09Å; C23-R27 VanDerWaalsContact O-CB 3.26Å; C23-R27 WeakPolarHBondContact O-CB 3.41Å; C23-R27 PolarHBondContact O-N 3.07Å; C23-F33 HydrophobicContact CB-CD2 4.35Å; C23-F33 HydrophobicContact CB-CE2 4.21Å; C23-A154 HydrophobicContact CB-CB 3.89Å
24L98Very high94.3Very high0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-62.8-46.9176.5-178.766.1000110.9G20 K21 R27 F28 L86 L88 V121 T152 V160 F164G20-L24 PolarHBondContact O-N 3.21Å; K21-L24 PolarHBondContact O-N 2.96Å; L24-R27 PolarHBondContact O-N 2.87Å; L24-F28 WeakPolarHBondContact O-CB 3.46Å; L24-F28 PolarHBondContact O-N 3.22Å; L24-L86 HydrophobicContact CD2-CD2 4.25Å; L24-L88 HydrophobicContact CB-CD2 4.34Å; L24-L88 HydrophobicContact CD2-CD1 4.18Å; L24-L88 HydrophobicContact CD2-CD2 3.77Å; L24-L88 HydrophobicContact CD2-CG 4.31Å; L24-V121 HydrophobicContact CD2-CG1 4.33Å; L24-T152 HydrophobicContact CD1-CG2 4.47Å; L24-V160 HydrophobicContact CD1-CB 4.19Å; L24-V160 HydrophobicContact CD1-CG1 3.84Å; L24-V160 HydrophobicContact CD1-CG2 3.78Å; L24-F164 HydrophobicContact CD1-CE2 4.48Å; L24-F164 HydrophobicContact CD2-CE2 4.34Å; L24-F164 HydrophobicContact CG-CE2 4Å; L24-F164 HydrophobicContact CG-CZ 4.37Å
25I97.3Very high93.2Very high0 Ų045 Ų450%024%0.235CC..Hα-helixtrans-64.3-49179.7-62.6164000110.6V13 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 4.28Å; V13-I25 HydrophobicContact CG2-CD1 3.56Å; V13-I25 HydrophobicContact CG2-CG1 3.81Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 2.89Å; S22-I25 PolarHBondContact O-N 3.23Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 2.69Å; I25-F28 CarbonylContact O-C 3.51Å; I25-F28 WeakPolarHBondContact O-CA 3.38Å; I25-F28 WeakPolarHBondContact O-CB 3.31Å; I25-F28 PolarHBondContact O-N 2.81Å; I25-F28 VanDerWaalsContact O-N 3.08Å; I25-T29 HydrophobicContact CG2-CG2 4.03Å; I25-T29 WeakPolarHBondContact O-CG2 3.35Å; I25-T29 PolarHBondContact O-N 3.03Å; I25-T29 PolarHBondContact O-OG1 2.88Å; I25-F46 HydrophobicContact CG2-CB 3.91Å; I25-F46 HydrophobicContact CG2-CD1 4.11Å; I25-F46 HydrophobicContact CG2-CD2 3.44Å; I25-F46 VanDerWaalsContact CG2-CD2 3.44Å; I25-F46 HydrophobicContact CG2-CE2 3.94Å; I25-F46 HydrophobicContact CG2-CG 3.54Å; I25-F46 HydrophobicContact CG2-CZ 4.46Å; I25-I62 HydrophobicContact CD1-CG2 4Å; I25-I62 HydrophobicContact CG1-CG2 4.01Å; I25-I62 HydrophobicContact CG2-CG2 4.12Å; I25-D64 HydrophobicContact CD1-CB 3.4Å; I25-F164 HydrophobicContact CG1-CZ 4.31Å
26R95.6Very high92.3Very high91 Ų9150.8 Ų50.834%0.34327%0.27SS..Hα-helixtrans-63.7-37.4178.8-71.3-179.1-174.3-1662.2112.3S22 F28 T29 E30 G31 R32 F46S22-R26 WeakPolarHBondContact O-CB 3.39Å; S22-R26 VanDerWaalsContact O-CG 3.28Å; S22-R26 WeakPolarHBondContact O-CG 3.42Å; S22-R26 PolarHBondContact O-N 3.39Å; R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.38Å; R26-T29 PolarHBondContact O-N 2.81Å; R26-E30 WeakPolarHBondContact O-CA 3.29Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.18Å; R26-E30 PolarHBondContact O-N 3.33Å; R26-G31 PolarHBondContact O-N 3.3Å; R26-R32 CarbonylContact C-O 3.57Å; R26-F46 HydrophobicContact CG-CE1 4.02Å; R26-F46 HydrophobicContact CG-CZ 4.1Å
27R97.3Very high91.4Very high55 Ų5551.9 Ų51.921%0.20828%0.279CS..Hα-helixtrans-62.1-41.2173.2177.958.377.4179.419.4110.8C23 L24 I25 G31 R32 F33 A154 R155 A157 V160C23-R27 VanDerWaalsContact O-CB 3.26Å; C23-R27 WeakPolarHBondContact O-CB 3.41Å; C23-R27 PolarHBondContact O-N 3.07Å; L24-R27 PolarHBondContact O-N 2.87Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 2.69Å; R27-G31 PolarHBondContact NH1-O 3.13Å; R27-G31 WeakPolarHBondContact O-CA 3.4Å; R27-G31 PolarHBondContact O-N 2.88Å; R27-G31 VanDerWaalsContact O-N 3.11Å; R27-R32 WeakPolarHBondContact CA-O 3.35Å; R27-R32 PolarHBondContact N-O 3.03Å; R27-F33 VanDerWaalsContact CZ-CB 3.49Å; R27-A154 HydrophobicContact CB-CB 4.12Å; R27-A154 PolarHBondContact NE-O 2.78Å; R27-A154 PolarHBondContact NH2-O 3.44Å; R27-R155 PolarHBondContact NH2-O 2.91Å; R27-A157 HydrophobicContact CG-CB 4.46Å; R27-V160 HydrophobicContact CB-CG1 4.32Å; R27-V160 HydrophobicContact CG-CB 4.34Å; R27-V160 HydrophobicContact CG-CG1 4.03Å; R27-V160 HydrophobicContact CG-CG2 3.97Å
28F97.8Very high90.8Very high3 Ų356.6 Ų56.61%0.01330%0.302CS..Hα-helixtrans-68.2-47.2176178-112.1000112.3L24 I25 R26 R48 V50 L60 I62 V160 E161 F164L24-F28 WeakPolarHBondContact O-CB 3.46Å; L24-F28 PolarHBondContact O-N 3.22Å; I25-F28 CarbonylContact O-C 3.51Å; I25-F28 WeakPolarHBondContact O-CA 3.38Å; I25-F28 WeakPolarHBondContact O-CB 3.31Å; I25-F28 PolarHBondContact O-N 2.81Å; I25-F28 VanDerWaalsContact O-N 3.08Å; R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.38Å; F28-R48 HydrophobicContact CE1-CB 3.93Å; F28-R48 HydrophobicContact CE1-CG 4.15Å; F28-R48 HydrophobicContact CZ-CB 4.45Å; F28-R48 HydrophobicContact CZ-CG 4.22Å; F28-R48 WeakPolarHBondContact O-CD 3.5Å; F28-R48 PolarHBondContact O-NH1 3.12Å; F28-V50 HydrophobicContact CE2-CG1 4.25Å; F28-V50 HydrophobicContact CZ-CG1 3.55Å; F28-L60 HydrophobicContact CE1-CD1 4.13Å; F28-L60 HydrophobicContact CZ-CD1 4.06Å; F28-I62 HydrophobicContact CD1-CD1 3.76Å; F28-I62 HydrophobicContact CE1-CD1 3.67Å; F28-V160 HydrophobicContact CB-CG1 3.7Å; F28-V160 HydrophobicContact CD2-CG1 4.44Å; F28-E161 WeakPolarHBondContact CD2-OE2 3.46Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.48Å; F28-F164 HydrophobicContact CB-CD2 3.8Å; F28-F164 HydrophobicContact CB-CE2 3.52Å; F28-F164 HydrophobicContact CB-CZ 4.22Å; F28-F164 HydrophobicContact CD1-CB 4.46Å; F28-F164 HydrophobicContact CD1-CD1 4Å; F28-F164 AromaticContact CD1-CD2 3.74Å; F28-F164 HydrophobicContact CD1-CD2 3.74Å; F28-F164 HydrophobicContact CD1-CE1 4.14Å; F28-F164 AromaticContact CD1-CE2 3.9Å; F28-F164 HydrophobicContact CD1-CE2 3.9Å; F28-F164 AromaticContact CD1-CG 3.81Å; F28-F164 HydrophobicContact CD1-CG 3.81Å; F28-F164 HydrophobicContact CD1-CZ 4.1Å; F28-F164 HydrophobicContact CD2-CB 4.06Å; F28-F164 AromaticContact CD2-CD2 3.47Å; F28-F164 HydrophobicContact CD2-CD2 3.47Å; F28-F164 VanDerWaalsContact CD2-CD2 3.47Å; F28-F164 HydrophobicContact CD2-CE2 4.13Å; F28-F164 AromaticContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CE1-CB 4.04Å; F28-F164 AromaticContact CE1-CD1 3.96Å; F28-F164 HydrophobicContact CE1-CD1 3.96Å; F28-F164 HydrophobicContact CE1-CD2 4.18Å; F28-F164 HydrophobicContact CE1-CE1 4.48Å; F28-F164 AromaticContact CE1-CG 3.8Å; F28-F164 HydrophobicContact CE1-CG 3.8Å; F28-F164 HydrophobicContact CE2-CB 3.58Å; F28-F164 AromaticContact CE2-CD2 3.93Å; F28-F164 HydrophobicContact CE2-CD2 3.93Å; F28-F164 AromaticContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CG-CB 4.48Å; F28-F164 HydrophobicContact CG-CD1 4.47Å; F28-F164 AromaticContact CG-CD2 3.37Å; F28-F164 HydrophobicContact CG-CD2 3.37Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CZ 4.23Å; F28-F164 HydrophobicContact CZ-CB 3.57Å; F28-F164 HydrophobicContact CZ-CD1 4.37Å; F28-F164 HydrophobicContact CZ-CD2 4.25Å; F28-F164 AromaticContact CZ-CG 3.83Å; F28-F164 HydrophobicContact CZ-CG 3.83Å
29T95.8Very high90.4Very high33 Ų3355.4 Ų55.420%0.20230%0.296CS..Hα-helixtrans-85-33.1-169.654.80000113.1I25 R26 F46 R48 I62I25-T29 HydrophobicContact CG2-CG2 4.03Å; I25-T29 WeakPolarHBondContact O-CG2 3.35Å; I25-T29 PolarHBondContact O-N 3.03Å; I25-T29 PolarHBondContact O-OG1 2.88Å; R26-T29 PolarHBondContact O-N 2.81Å; T29-F46 HydrophobicContact CG2-CB 3.83Å; T29-F46 HydrophobicContact CG2-CD1 4.4Å; T29-F46 HydrophobicContact CG2-CG 4.4Å; T29-R48 HydrophobicContact CG2-CB 4.36Å; T29-I62 HydrophobicContact CG2-CD1 4.21Å
30E93.8Very high89.6Confident79 Ų7956.3 Ų56.337%0.36930%0.301SS..Hα-helixtrans-115.4-9.6-172.6-56.2172.1-163.800112.8R26 R32R26-E30 WeakPolarHBondContact O-CA 3.29Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.18Å; R26-E30 PolarHBondContact O-N 3.33Å; E30-R32 HydrophobicContact CB-CB 4.36Å; E30-R32 HydrophobicContact CB-CG 4.4Å; E30-R32 PolarHBondContact O-N 3.43Å; E30-R32 IonicContact OE2-CZ 3.29Å; E30-R32 IonicContact OE2-NE 2.75Å; E30-R32 PolarHBondContact OE2-NE 3.47Å; E30-R32 VanDerWaalsContact OE2-NE 3.13Å; E30-R32 IonicContact OE2-NH2 2.96Å; E30-R32 PolarHBondContact OE2-NH2 2.97Å
31G90.9Very high88.9Confident47 Ų4761 Ų6149%0.48533%0.327SS..SBendtrans66.615.8-173.900000113.2R26 R27R26-G31 PolarHBondContact O-N 3.3Å; R27-G31 PolarHBondContact NH1-O 3.13Å; R27-G31 WeakPolarHBondContact O-CA 3.4Å; R27-G31 PolarHBondContact O-N 2.88Å; R27-G31 VanDerWaalsContact O-N 3.11Å
32R86.3Confident88.1Confident162 Ų16260.9 Ų60.961%0.61133%0.329SS*.  trans-115.1152.6-176.1-65.3-173-66-171.2-1.3112.1R26 R27 E30R26-R32 CarbonylContact C-O 3.57Å; R27-R32 WeakPolarHBondContact CA-O 3.35Å; R27-R32 PolarHBondContact N-O 3.03Å; E30-R32 HydrophobicContact CB-CB 4.36Å; E30-R32 HydrophobicContact CB-CG 4.4Å; E30-R32 PolarHBondContact O-N 3.43Å; E30-R32 IonicContact OE2-CZ 3.29Å; E30-R32 IonicContact OE2-NE 2.75Å; E30-R32 PolarHBondContact OE2-NE 3.47Å; E30-R32 VanDerWaalsContact OE2-NE 3.13Å; E30-R32 IonicContact OE2-NH2 2.96Å; E30-R32 PolarHBondContact OE2-NH2 2.97Å
33F86.4Confident87.6Confident62 Ų6261.5 Ų61.527%0.27233%0.332SS..  trans-124.7135.2170.5174.5-100.2000109.7C23 R27 H35 A154 R155C23-F33 HydrophobicContact CB-CD2 4.35Å; C23-F33 HydrophobicContact CB-CE2 4.21Å; R27-F33 VanDerWaalsContact CZ-CB 3.49Å; F33-H35 AromaticContact CE1-CE1 3.84Å; F33-H35 AromaticContact CE1-CG 3.95Å; F33-H35 AromaticContact CE1-ND1 3.67Å; F33-A154 HydrophobicContact CD2-CB 3.92Å; F33-A154 HydrophobicContact CE2-CB 4.17Å; F33-R155 HydrophobicContact CD1-CB 4.48Å; F33-R155 HydrophobicContact CD1-CG 4.35Å; F33-R155 HydrophobicContact CD2-CB 4.37Å; F33-R155 HydrophobicContact CE1-CB 4.15Å; F33-R155 HydrophobicContact CE1-CG 4.01Å; F33-R155 HydrophobicContact CE2-CB 4.04Å; F33-R155 HydrophobicContact CZ-CB 3.92Å; F33-R155 HydrophobicContact CZ-CG 4.22Å
34A80.4Confident87.3Confident36 Ų3663.9 Ų63.930%0.29834%0.344SS..  trans-107.3122.6174.800000109V36A34-V36 VanDerWaalsContact C-N 3.25Å; A34-V36 WeakPolarHBondContact CB-O 3.18Å; A34-V36 PolarHBondContact O-N 3.3Å
35H74.4Confident87.1Confident165 Ų16568.3 Ų68.376%0.76436%0.363SS*.SBendtrans-66-31.5175.3-74.4-82.2000112.3F33F33-H35 AromaticContact CE1-CE1 3.84Å; F33-H35 AromaticContact CE1-CG 3.95Å; F33-H35 AromaticContact CE1-ND1 3.67Å
36V76.9Confident87.1Confident121 Ų12169.7 Ų69.773%0.73337%0.369SS*.SBendtrans-110.3118.9173-176.60000107.1A34A34-V36 VanDerWaalsContact C-N 3.25Å; A34-V36 WeakPolarHBondContact CB-O 3.18Å; A34-V36 PolarHBondContact O-N 3.3Å
37S77.9Confident87.1Confident45 Ų4568.1 Ų68.132%0.31537%0.372SS..  trans-123.1117.5172.8-174.40000107.7
38D82.1Confident87Confident134 Ų13468.8 Ų68.872%0.71738%0.375SS*.PPolyproline II helixtrans-61.9147.2170.3-66.5-40000109.6T40D38-T40 PolarHBondContact O-N 3.46Å
39P84.1Confident86.9Confident77 Ų7772.3 Ų72.350%0.539%0.394SS..PPolyproline II helixtrans-60131174-20.832.2000110.6V41P39-V41 PolarHBondContact O-N 2.81Å
40T80.4Confident86.9Confident19 Ų1971 Ų7112%0.11739%0.385CS..PPolyproline II helixtrans-57.7131.3173.3-43.20000110.3S22 D38 D64 A66S22-T40 PolarHBondContact OG-OG1 3.44Å; D38-T40 PolarHBondContact O-N 3.46Å; T40-D64 PolarHBondContact OG1-OD2 2.93Å; T40-A66 VanDerWaalsContact O-CB 3.23Å; T40-A66 WeakPolarHBondContact O-CB 3.29Å
41V81.5Confident86.9Confident110 Ų11071.5 Ų71.567%0.66739%0.388SS*.  trans-106.9113.5173.4179.30000107.7P39 F71P39-V41 PolarHBondContact O-N 2.81Å; V41-F71 HydrophobicContact CG1-CE1 4.26Å; V41-F71 HydrophobicContact CG1-CZ 4.03Å
42G79.9Confident87Confident9 Ų969.5 Ų69.59%0.09337%0.366CS..SBendtrans76.6-122.5-174.900000112.3A66G42-A66 WeakPolarHBondContact O-CB 3.41Å; G42-A66 PolarHBondContact O-N 3.2Å
43V85.9Confident87.2Confident24 Ų2465.4 Ų65.415%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-143.7130.7-173.8178.40000110.4W63 D64 T65 I74 Y78V43-W63 HydrophobicContact CG1-CB 4.07Å; V43-W63 HydrophobicContact CG1-CD2 4.19Å; V43-W63 HydrophobicContact CG1-CE3 3.54Å; V43-W63 HydrophobicContact CG1-CG 4.44Å; V43-W63 HydrophobicContact CG1-CZ3 4.25Å; V43-D64 CarbonylContact C-O 3.54Å; V43-D64 WeakPolarHBondContact CA-O 3.44Å; V43-D64 WeakPolarHBondContact CG1-O 3.43Å; V43-T65 HydrophobicContact CG2-CG2 4.35Å; V43-I74 HydrophobicContact CG2-CG2 3.93Å; V43-Y78 HydrophobicContact CB-CD2 4.46Å; V43-Y78 HydrophobicContact CB-CE1 4.44Å; V43-Y78 HydrophobicContact CB-CE2 3.93Å; V43-Y78 HydrophobicContact CG1-CD1 4.17Å; V43-Y78 HydrophobicContact CG1-CD2 4.37Å; V43-Y78 HydrophobicContact CG1-CE1 3.91Å; V43-Y78 HydrophobicContact CG1-CE2 4.14Å; V43-Y78 HydrophobicContact CG1-CG 4.4Å; V43-Y78 HydrophobicContact CG2-CD2 3.8Å; V43-Y78 HydrophobicContact CG2-CE2 3.55Å
44D91.3Very high87.4Confident69 Ų6968.5 Ų68.537%0.36938%0.38SS..EExtended strand (participates in β ladder)trans-106.9151.6175.3-74.8-33.7000111.6F46 D64D44-F46 HydrophobicContact CB-CE2 3.88Å; D44-D64 HydrophobicContact CB-CB 4.17Å; D44-D64 PolarHBondContact N-O 2.82Å; D44-D64 PolarHBondContact O-N 2.75Å
45F93.7Very high87.7Confident94 Ų9469.8 Ų69.841%0.41240%0.397SS..EExtended strand (participates in β ladder)trans-108.4133.8-178.5179.9-108.1000112.5Q61 W63F45-Q61 HydrophobicContact CE2-CB 3.81Å; F45-Q61 HydrophobicContact CE2-CG 3.87Å; F45-Q61 HydrophobicContact CZ-CB 4.31Å; F45-Q61 HydrophobicContact CZ-CG 3.91Å; F45-W63 HydrophobicContact CB-CE3 3.94Å; F45-W63 HydrophobicContact CB-CH2 3.92Å; F45-W63 HydrophobicContact CB-CZ3 3.41Å; F45-W63 VanDerWaalsContact CB-CZ3 3.41Å; F45-W63 HydrophobicContact CD2-CD2 4.16Å; F45-W63 AromaticContact CD2-CE3 3.95Å; F45-W63 HydrophobicContact CD2-CE3 3.95Å; F45-W63 AromaticContact CD2-CH2 3.56Å; F45-W63 HydrophobicContact CD2-CH2 3.56Å; F45-W63 AromaticContact CD2-CZ2 3.72Å; F45-W63 HydrophobicContact CD2-CZ2 3.72Å; F45-W63 AromaticContact CD2-CZ3 3.71Å; F45-W63 HydrophobicContact CD2-CZ3 3.71Å; F45-W63 HydrophobicContact CE2-CH2 4.46Å; F45-W63 HydrophobicContact CE2-CZ2 4.28Å; F45-W63 HydrophobicContact CG-CE3 4.45Å; F45-W63 HydrophobicContact CG-CH2 4.03Å; F45-W63 AromaticContact CG-CZ3 3.97Å; F45-W63 HydrophobicContact CG-CZ3 3.97Å
46F95.9Very high88.5Confident28 Ų2864.9 Ų64.912%0.12337%0.373CS..EExtended strand (participates in β ladder)trans-132.1157.3169.4-58.2-97000111.8I25 R26 T29 D44 I62 D64I25-F46 HydrophobicContact CG2-CB 3.91Å; I25-F46 HydrophobicContact CG2-CD1 4.11Å; I25-F46 HydrophobicContact CG2-CD2 3.44Å; I25-F46 VanDerWaalsContact CG2-CD2 3.44Å; I25-F46 HydrophobicContact CG2-CE2 3.94Å; I25-F46 HydrophobicContact CG2-CG 3.54Å; I25-F46 HydrophobicContact CG2-CZ 4.46Å; R26-F46 HydrophobicContact CG-CE1 4.02Å; R26-F46 HydrophobicContact CG-CZ 4.1Å; T29-F46 HydrophobicContact CG2-CB 3.83Å; T29-F46 HydrophobicContact CG2-CD1 4.4Å; T29-F46 HydrophobicContact CG2-CG 4.4Å; D44-F46 HydrophobicContact CB-CE2 3.88Å; F46-I62 HydrophobicContact CB-CB 4.37Å; F46-I62 PolarHBondContact N-O 2.95Å; F46-I62 PolarHBondContact O-N 2.86Å; F46-D64 HydrophobicContact CD2-CB 4.32Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
47S96.3Very high89.4Confident58 Ų5864.9 Ų64.941%0.40636%0.36SS..EExtended strand (participates in β ladder)trans-141.1135.6177.1177.20000111.1L60S47-L60 VanDerWaalsContact CA-O 3.23Å; S47-L60 WeakPolarHBondContact CA-O 3.18Å; S47-L60 PolarHBondContact OG-O 3.18Å
48R96.1Very high90.3Very high70 Ų7062.7 Ų62.726%0.26435%0.345SS..EExtended strand (participates in β ladder)trans-146.6140.3174.3-178.4163.8177.2-146.7-13.6111F28 T29 L60 E161F28-R48 HydrophobicContact CE1-CB 3.93Å; F28-R48 HydrophobicContact CE1-CG 4.15Å; F28-R48 HydrophobicContact CZ-CB 4.45Å; F28-R48 HydrophobicContact CZ-CG 4.22Å; F28-R48 WeakPolarHBondContact O-CD 3.5Å; F28-R48 PolarHBondContact O-NH1 3.12Å; T29-R48 HydrophobicContact CG2-CB 4.36Å; R48-L60 PolarHBondContact N-O 2.67Å; R48-L60 WeakPolarHBondContact O-CB 3.42Å; R48-L60 PolarHBondContact O-N 2.84Å; R48-E161 IonicContact CZ-OE1 3.89Å; R48-E161 IonicContact CZ-OE2 3.33Å; R48-E161 IonicContact NH1-OE1 3.96Å; R48-E161 IonicContact NH1-OE2 3.13Å; R48-E161 PolarHBondContact NH1-OE2 2.86Å; R48-E161 IonicContact NH2-OE1 3.7Å; R48-E161 PolarHBondContact NH2-OE1 2.92Å; R48-E161 IonicContact NH2-OE2 2.71Å; R48-E161 PolarHBondContact NH2-OE2 2.89Å
49L95.9Very high91Very high77 Ų7758.5 Ų58.540%0.40332%0.32SS..EExtended strand (participates in β ladder)trans-84.3132.2168.3-77.3166.9000109.3W5 K59W5-L49 HydrophobicContact CB-CD2 3.88Å; W5-L49 HydrophobicContact CD2-CD2 4.22Å; W5-L49 HydrophobicContact CE3-CD2 3.86Å; W5-L49 HydrophobicContact CG-CD2 4.26Å; L49-K59 HydrophobicContact CD2-CB 3.72Å; L49-K59 HydrophobicContact CD2-CG 4.21Å
50V95.9Very high91.7Very high5 Ų554.9 Ų54.93%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-120.6144.1173.1-62.90000109.9F28 I52 R57 I58 L60 T168F28-V50 HydrophobicContact CE2-CG1 4.25Å; F28-V50 HydrophobicContact CZ-CG1 3.55Å; V50-I52 HydrophobicContact CG2-CG2 4.39Å; V50-R57 CarbonylContact O-C 3.49Å; V50-R57 VanDerWaalsContact O-CA 3.3Å; V50-R57 WeakPolarHBondContact O-CA 3.28Å; V50-I58 HydrophobicContact CG2-CB 4.06Å; V50-I58 PolarHBondContact N-O 2.75Å; V50-I58 PolarHBondContact O-N 3.29Å; V50-L60 HydrophobicContact CG1-CD1 3.75Å; V50-L60 HydrophobicContact CG1-CG 4.33Å; V50-L60 HydrophobicContact CG2-CD1 3.92Å; V50-L60 HydrophobicContact CG2-CD2 4.32Å; V50-L60 HydrophobicContact CG2-CG 3.93Å; V50-T168 HydrophobicContact CG2-CG2 3.84Å
51E93.6Very high92.5Very high89 Ų8955.2 Ų55.242%0.41630%0.297SS..EExtended strand (participates in β ladder)trans-106.6110.4174.2-169.2161.1162.900108E53 P54 G55 K56 R57E51-E53 WeakPolarHBondContact CG-O 3.32Å; E51-P54 WeakPolarHBondContact OE1-CA 3.42Å; E51-G55 PolarHBondContact OE1-N 3.29Å; E51-K56 WeakPolarHBondContact CA-O 3.36Å; E51-R57 HydrophobicContact CB-CG 4.14Å; E51-R57 HydrophobicContact CG-CG 4.06Å; E51-R57 IonicContact OE2-CZ 3.07Å; E51-R57 IonicContact OE2-NE 3.98Å; E51-R57 PolarHBondContact OE2-NE 3.16Å; E51-R57 IonicContact OE2-NH2 2.95Å; E51-R57 PolarHBondContact OE2-NH2 3.25Å
52I93Very high93.3Very high5 Ų550 Ų503%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-84.8-27.9-174.454170000112.5V50 K56 I58 T165 T168 R169 F172V50-I52 HydrophobicContact CG2-CG2 4.39Å; I52-K56 HydrophobicContact CG1-CB 3.98Å; I52-K56 WeakPolarHBondContact CG1-O 3.45Å; I52-K56 PolarHBondContact N-O 2.97Å; I52-I58 HydrophobicContact CD1-CD1 4.36Å; I52-I58 HydrophobicContact CD1-CG1 3.95Å; I52-I58 HydrophobicContact CG1-CG1 4.21Å; I52-I58 HydrophobicContact CG2-CG1 4.39Å; I52-T165 HydrophobicContact CG2-CG2 4.39Å; I52-T168 HydrophobicContact CG2-CG2 3.62Å; I52-R169 HydrophobicContact CB-CG 3.9Å; I52-R169 HydrophobicContact CG2-CG 3.95Å; I52-R169 PolarHBondContact O-NE 2.69Å; I52-R169 VanDerWaalsContact O-NE 3.16Å; I52-R169 PolarHBondContact O-NH2 3.37Å; I52-R169 VanDerWaalsContact O-NH2 3.12Å; I52-F172 HydrophobicContact CD1-CB 3.77Å; I52-F172 HydrophobicContact CD1-CD1 3.55Å; I52-F172 HydrophobicContact CD1-CD2 3.73Å; I52-F172 HydrophobicContact CD1-CE1 4.03Å; I52-F172 HydrophobicContact CD1-CE2 4.19Å; I52-F172 HydrophobicContact CD1-CG 3.37Å; I52-F172 HydrophobicContact CD1-CZ 4.33Å
53E89.7Confident94.1Very high76 Ų7651.6 Ų51.636%0.35527%0.269SS..EExtended strand (participates in β ladder)trans-149.9159.9175.4-65.4175.4-161.800108.4E51 G55 K56E51-E53 WeakPolarHBondContact CG-O 3.32Å; E53-G55 PolarHBondContact O-N 3.5Å; E53-G55 VanDerWaalsContact O-N 3.1Å; E53-K56 HydrophobicContact CB-CB 4.11Å; E53-K56 HydrophobicContact CB-CD 4.1Å; E53-K56 HydrophobicContact CB-CG 4.17Å; E53-K56 HydrophobicContact CG-CD 4.5Å; E53-K56 PolarHBondContact O-N 3.49Å; E53-K56 IonicContact OE1-NZ 2.67Å; E53-K56 WeakPolarHBondContact OE2-CD 3.44Å; E53-K56 WeakPolarHBondContact OE2-CE 3.47Å; E53-K56 IonicContact OE2-NZ 3.07Å; E53-K56 PolarHBondContact OE2-NZ 3.39Å
54P90.4Very high94.5Very high128 Ų12850.5 Ų50.583%0.83126%0.262SS*.THydrogen-bonded Turntrans-50.8118.8178.2-27.935.9000112.6E51 K56E51-P54 WeakPolarHBondContact OE1-CA 3.42Å; P54-K56 PolarHBondContact O-N 2.72Å
55G87Confident94.5Very high63 Ų6347.2 Ų47.265%0.64924%0.244SC*.THydrogen-bonded Turntrans78.8-6.4-178.600000115.4E51 E53E51-G55 PolarHBondContact OE1-N 3.29Å; E53-G55 PolarHBondContact O-N 3.5Å; E53-G55 VanDerWaalsContact O-N 3.1Å
56K91.1Very high94.1Very high62 Ų6242.7 Ų42.727%0.2723%0.225SC..EExtended strand (participates in β ladder)trans-99.893.2177.9-61-165.4-174.4161.10110.9L6 E51 I52 E53 P54 F172L6-K56 HydrophobicContact CD1-CB 3.79Å; L6-K56 HydrophobicContact CD1-CD 4.16Å; L6-K56 HydrophobicContact CD1-CG 3.84Å; E51-K56 WeakPolarHBondContact CA-O 3.36Å; I52-K56 HydrophobicContact CG1-CB 3.98Å; I52-K56 WeakPolarHBondContact CG1-O 3.45Å; I52-K56 PolarHBondContact N-O 2.97Å; E53-K56 HydrophobicContact CB-CB 4.11Å; E53-K56 HydrophobicContact CB-CD 4.1Å; E53-K56 HydrophobicContact CB-CG 4.17Å; E53-K56 HydrophobicContact CG-CD 4.5Å; E53-K56 PolarHBondContact O-N 3.49Å; E53-K56 IonicContact OE1-NZ 2.67Å; E53-K56 WeakPolarHBondContact OE2-CD 3.44Å; E53-K56 WeakPolarHBondContact OE2-CE 3.47Å; E53-K56 IonicContact OE2-NZ 3.07Å; E53-K56 PolarHBondContact OE2-NZ 3.39Å; P54-K56 PolarHBondContact O-N 2.72Å; K56-F172 HydrophobicContact CD-CE1 4.39Å; K56-F172 HydrophobicContact CD-CZ 3.99Å
57R95.1Very high93.2Very high120 Ų12041.9 Ų41.945%0.45322%0.224SC..EExtended strand (participates in β ladder)trans-98139.7178.9-65.8179.2-179.9170.23.6111.9W5 L6 V50 E51W5-R57 CarbonylContact C-O 3.54Å; W5-R57 VanDerWaalsContact CA-O 3.3Å; W5-R57 WeakPolarHBondContact CA-O 3.48Å; W5-R57 HydrophobicContact CB-CB 4.3Å; W5-R57 WeakPolarHBondContact CB-O 3.41Å; L6-R57 PolarHBondContact N-O 2.93Å; V50-R57 CarbonylContact O-C 3.49Å; V50-R57 VanDerWaalsContact O-CA 3.3Å; V50-R57 WeakPolarHBondContact O-CA 3.28Å; E51-R57 HydrophobicContact CB-CG 4.14Å; E51-R57 HydrophobicContact CG-CG 4.06Å; E51-R57 IonicContact OE2-CZ 3.07Å; E51-R57 IonicContact OE2-NE 3.98Å; E51-R57 PolarHBondContact OE2-NE 3.16Å; E51-R57 IonicContact OE2-NH2 2.95Å; E51-R57 PolarHBondContact OE2-NH2 3.25Å
58I97.1Very high92.4Very high0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-125.4134.9176.4-52.6-65.2000108.2L6 Y7 F9 V50 I52 L60 T168 F172L6-I58 HydrophobicContact CB-CD1 4.12Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 WeakPolarHBondContact O-CA 3.49Å; Y7-I58 WeakPolarHBondContact O-CG2 3.3Å; F9-I58 HydrophobicContact CD1-CG2 4.45Å; F9-I58 HydrophobicContact CD2-CG2 3.54Å; F9-I58 HydrophobicContact CE2-CG2 3.68Å; F9-I58 HydrophobicContact CG-CG2 3.94Å; F9-I58 HydrophobicContact CZ-CD1 4.45Å; F9-I58 HydrophobicContact CZ-CG2 4.19Å; V50-I58 HydrophobicContact CG2-CB 4.06Å; V50-I58 PolarHBondContact N-O 2.75Å; V50-I58 PolarHBondContact O-N 3.29Å; I52-I58 HydrophobicContact CD1-CD1 4.36Å; I52-I58 HydrophobicContact CD1-CG1 3.95Å; I52-I58 HydrophobicContact CG1-CG1 4.21Å; I52-I58 HydrophobicContact CG2-CG1 4.39Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-T168 HydrophobicContact CB-CG2 3.85Å; I58-T168 HydrophobicContact CG1-CG2 3.94Å; I58-T168 HydrophobicContact CG2-CG2 3.83Å; I58-F172 HydrophobicContact CD1-CD2 3.95Å; I58-F172 HydrophobicContact CD1-CE2 4.42Å
59K97.4Very high91.4Very high46 Ų4645.1 Ų45.120%0.224%0.236CC..EExtended strand (participates in β ladder)trans-90.6118.8173.8-174.4177.7174.2-164.80109.8W5 Y7 Q8 F9 L49W5-K59 HydrophobicContact CB-CB 4.43Å; W5-K59 HydrophobicContact CD2-CB 3.92Å; W5-K59 HydrophobicContact CD2-CD 4.13Å; W5-K59 HydrophobicContact CE3-CD 4.31Å; W5-K59 HydrophobicContact CG-CB 3.85Å; W5-K59 HydrophobicContact CH2-CD 3.97Å; W5-K59 HydrophobicContact CZ2-CD 3.72Å; W5-K59 HydrophobicContact CZ3-CD 4.25Å; Y7-K59 PolarHBondContact O-N 3.16Å; Q8-K59 CarbonylContact C-O 3.57Å; Q8-K59 WeakPolarHBondContact CA-O 3.5Å; Q8-K59 HydrophobicContact CB-CB 4.23Å; Q8-K59 HydrophobicContact CG-CB 4.14Å; Q8-K59 HydrophobicContact CG-CD 4.24Å; Q8-K59 HydrophobicContact CG-CG 4.21Å; F9-K59 PolarHBondContact N-O 2.88Å; L49-K59 HydrophobicContact CD2-CB 3.72Å; L49-K59 HydrophobicContact CD2-CG 4.21Å
60L98.3Very high90.4Very high0 Ų050.2 Ų50.20%025%0.249CC..EExtended strand (participates in β ladder)trans-93.9128.4174.2-55.1-176.6000109.8F9 L11 F28 S47 R48 V50 I58 I62 F164 T168F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; L11-L60 HydrophobicContact CD1-CB 4.43Å; L11-L60 HydrophobicContact CD1-CD1 4Å; L11-L60 HydrophobicContact CD1-CD2 4.02Å; L11-L60 HydrophobicContact CD1-CG 4.38Å; L11-L60 HydrophobicContact CG-CD2 4.46Å; F28-L60 HydrophobicContact CE1-CD1 4.13Å; F28-L60 HydrophobicContact CZ-CD1 4.06Å; S47-L60 VanDerWaalsContact CA-O 3.23Å; S47-L60 WeakPolarHBondContact CA-O 3.18Å; S47-L60 PolarHBondContact OG-O 3.18Å; R48-L60 PolarHBondContact N-O 2.67Å; R48-L60 WeakPolarHBondContact O-CB 3.42Å; R48-L60 PolarHBondContact O-N 2.84Å; V50-L60 HydrophobicContact CG1-CD1 3.75Å; V50-L60 HydrophobicContact CG1-CG 4.33Å; V50-L60 HydrophobicContact CG2-CD1 3.92Å; V50-L60 HydrophobicContact CG2-CD2 4.32Å; V50-L60 HydrophobicContact CG2-CG 3.93Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; L60-I62 HydrophobicContact CB-CD1 4.27Å; L60-I62 HydrophobicContact CB-CG1 4.1Å; L60-F164 HydrophobicContact CD1-CB 4.42Å; L60-T168 HydrophobicContact CD2-CG2 4Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.43Å
61Q97.9Very high89.6Confident27 Ų2752.2 Ų52.213%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-105.3116.8165.2-75.7-164.8-39.900107.4Q8 F9 R10 L11 F45Q8-Q61 HydrophobicContact CG-CG 4.03Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.28Å; F9-Q61 PolarHBondContact O-N 3.34Å; R10-Q61 CarbonylContact C-O 3.52Å; R10-Q61 WeakPolarHBondContact CA-O 2.83Å; R10-Q61 HydrophobicContact CG-CB 3.96Å; R10-Q61 VanDerWaalsContact NE-OE1 3.08Å; L11-Q61 PolarHBondContact N-O 3.07Å; F45-Q61 HydrophobicContact CE2-CB 3.81Å; F45-Q61 HydrophobicContact CE2-CG 3.87Å; F45-Q61 HydrophobicContact CZ-CB 4.31Å; F45-Q61 HydrophobicContact CZ-CG 3.91Å
62I98.1Very high88.9Confident0 Ų050.3 Ų50.30%025%0.247CC..EExtended strand (participates in β ladder)trans-117.6121.3-168.9-53.4167.2000108.7L11 V13 I25 F28 T29 F46 L60 F164L11-I62 HydrophobicContact CB-CG1 4.43Å; L11-I62 HydrophobicContact CD1-CG1 4.48Å; L11-I62 WeakPolarHBondContact O-CA 3.37Å; V13-I62 HydrophobicContact CG2-CG2 3.82Å; I25-I62 HydrophobicContact CD1-CG2 4Å; I25-I62 HydrophobicContact CG1-CG2 4.01Å; I25-I62 HydrophobicContact CG2-CG2 4.12Å; F28-I62 HydrophobicContact CD1-CD1 3.76Å; F28-I62 HydrophobicContact CE1-CD1 3.67Å; T29-I62 HydrophobicContact CG2-CD1 4.21Å; F46-I62 HydrophobicContact CB-CB 4.37Å; F46-I62 PolarHBondContact N-O 2.95Å; F46-I62 PolarHBondContact O-N 2.86Å; L60-I62 HydrophobicContact CB-CD1 4.27Å; L60-I62 HydrophobicContact CB-CG1 4.1Å; I62-F164 HydrophobicContact CD1-CD1 4.13Å; I62-F164 HydrophobicContact CD1-CE1 3.84Å; I62-F164 HydrophobicContact CG2-CE1 4.34Å
63W96.3Very high88.3Confident43 Ų4354.1 Ų54.116%0.16327%0.274CS..EExtended strand (participates in β ladder)trans-95.7111.9174.4-67.3117.1000110.2L11 I12 V13 V43 F45 Y78L11-W63 PolarHBondContact O-N 3.38Å; I12-W63 HydrophobicContact CG1-CB 4.32Å; V13-W63 PolarHBondContact N-O 2.65Å; V43-W63 HydrophobicContact CG1-CB 4.07Å; V43-W63 HydrophobicContact CG1-CD2 4.19Å; V43-W63 HydrophobicContact CG1-CE3 3.54Å; V43-W63 HydrophobicContact CG1-CG 4.44Å; V43-W63 HydrophobicContact CG1-CZ3 4.25Å; F45-W63 HydrophobicContact CB-CE3 3.94Å; F45-W63 HydrophobicContact CB-CH2 3.92Å; F45-W63 HydrophobicContact CB-CZ3 3.41Å; F45-W63 VanDerWaalsContact CB-CZ3 3.41Å; F45-W63 HydrophobicContact CD2-CD2 4.16Å; F45-W63 AromaticContact CD2-CE3 3.95Å; F45-W63 HydrophobicContact CD2-CE3 3.95Å; F45-W63 AromaticContact CD2-CH2 3.56Å; F45-W63 HydrophobicContact CD2-CH2 3.56Å; F45-W63 AromaticContact CD2-CZ2 3.72Å; F45-W63 HydrophobicContact CD2-CZ2 3.72Å; F45-W63 AromaticContact CD2-CZ3 3.71Å; F45-W63 HydrophobicContact CD2-CZ3 3.71Å; F45-W63 HydrophobicContact CE2-CH2 4.46Å; F45-W63 HydrophobicContact CE2-CZ2 4.28Å; F45-W63 HydrophobicContact CG-CE3 4.45Å; F45-W63 HydrophobicContact CG-CH2 4.03Å; F45-W63 AromaticContact CG-CZ3 3.97Å; F45-W63 HydrophobicContact CG-CZ3 3.97Å; W63-Y78 AromaticContact CD2-CD1 3.81Å; W63-Y78 HydrophobicContact CD2-CD1 3.81Å; W63-Y78 AromaticContact CD2-CE1 3.94Å; W63-Y78 HydrophobicContact CD2-CE1 3.94Å; W63-Y78 AromaticContact CE2-CD1 3.95Å; W63-Y78 HydrophobicContact CE3-CD1 4.28Å; W63-Y78 AromaticContact CE3-CE1 3.99Å; W63-Y78 HydrophobicContact CE3-CE1 3.99Å; W63-Y78 AromaticContact CG-CD1 3.91Å; W63-Y78 HydrophobicContact CG-CD1 3.91Å; W63-Y78 HydrophobicContact CG-CE1 4.5Å; W63-Y78 HydrophobicContact CH2-CE1 4.22Å; W63-Y78 HydrophobicContact CZ2-CE1 4.22Å; W63-Y78 HydrophobicContact CZ3-CE1 4.07Å
64D94.4Very high87.8Confident0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-82.5122.8169.4-174.626.9000109.1K21 S22 I25 T40 V43 D44 F46K21-D64 WeakPolarHBondContact CB-OD1 3.41Å; S22-D64 WeakPolarHBondContact CA-OD2 3.32Å; S22-D64 WeakPolarHBondContact CB-OD2 3.49Å; S22-D64 PolarHBondContact OG-OD1 3.42Å; S22-D64 PolarHBondContact OG-OD2 2.56Å; I25-D64 HydrophobicContact CD1-CB 3.4Å; T40-D64 PolarHBondContact OG1-OD2 2.93Å; V43-D64 CarbonylContact C-O 3.54Å; V43-D64 WeakPolarHBondContact CA-O 3.44Å; V43-D64 WeakPolarHBondContact CG1-O 3.43Å; D44-D64 HydrophobicContact CB-CB 4.17Å; D44-D64 PolarHBondContact N-O 2.82Å; D44-D64 PolarHBondContact O-N 2.75Å; F46-D64 HydrophobicContact CD2-CB 4.32Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
65T91.4Very high87.5Confident0 Ų047.6 Ų47.60%023%0.234CC..EExtended strand (participates in β ladder)trans-109.9148.2-174.169.60000111.7I12 V13 I14 K21 V43 G67 T75I12-T65 HydrophobicContact CD1-CG2 3.81Å; I12-T65 HydrophobicContact CG1-CG2 3.55Å; V13-T65 WeakPolarHBondContact O-CG2 3.16Å; V13-T65 PolarHBondContact O-OG1 3.09Å; I14-T65 HydrophobicContact CG2-CG2 4.34Å; K21-T65 WeakPolarHBondContact CE-O 3.49Å; V43-T65 HydrophobicContact CG2-CG2 4.35Å; T65-G67 PolarHBondContact O-N 2.82Å; T65-T75 HydrophobicContact CG2-CG2 3.96Å
66A86.1Confident87.4Confident0 Ų049.5 Ų49.50%022%0.221CC..  trans-65.9128.2169.700000111.1T40 G42 Q68 F71T40-A66 VanDerWaalsContact O-CB 3.23Å; T40-A66 WeakPolarHBondContact O-CB 3.29Å; G42-A66 WeakPolarHBondContact O-CB 3.41Å; G42-A66 PolarHBondContact O-N 3.2Å; A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-Q68 PolarHBondContact O-N 3.38Å; A66-F71 HydrophobicContact CB-CB 3.65Å; A66-F71 HydrophobicContact CB-CD2 3.68Å; A66-F71 HydrophobicContact CB-CG 3.97Å
67G76.1Confident87.2Confident11 Ų1149.9 Ų49.911%0.11324%0.236CC..  trans-86.12.1177.400000114.9G15 S17 K21 T65G15-G67 VanDerWaalsContact O-CA 3.31Å; G15-G67 WeakPolarHBondContact O-CA 3.2Å; S17-G67 PolarHBondContact N-O 3.4Å; K21-G67 VanDerWaalsContact NZ-CA 3.28Å; T65-G67 PolarHBondContact O-N 2.82Å
68Q78.9Confident86.9Confident45 Ų4547.4 Ų47.421%0.2123%0.227CC..SBendtrans-83.8136.2177.8-59.6-179.237.900109.9A66 R70 F71A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-Q68 PolarHBondContact O-N 3.38Å; Q68-R70 PolarHBondContact O-N 2.9Å; Q68-R70 VanDerWaalsContact O-N 3.12Å; Q68-R70 VanDerWaalsContact OE1-NH2 3.09Å; Q68-F71 HydrophobicContact CB-CD2 3.93Å; Q68-F71 HydrophobicContact CB-CE2 4.43Å; Q68-F71 PolarHBondContact O-N 3.21Å
69E75.2Confident86.6Confident151 Ų15147.4 Ų47.471%0.70623%0.227SC*.G310 helixtrans-50.4-38.9179.167.1-163.317400113.7F71 R72E69-F71 PolarHBondContact O-N 2.85Å; E69-R72 WeakPolarHBondContact O-CB 3.48Å; E69-R72 PolarHBondContact O-N 2.84Å
70R75.6Confident86.2Confident183 Ų18352.2 Ų52.269%0.69124%0.244SC*.G310 helixtrans-62.6-16.8-180-63.5-177.6-65.3178.70.3113.7Q68Q68-R70 PolarHBondContact O-N 2.9Å; Q68-R70 VanDerWaalsContact O-N 3.12Å; Q68-R70 VanDerWaalsContact OE1-NH2 3.09Å
71F79.3Confident86Confident47 Ų4754.3 Ų54.321%0.20626%0.256CS..G310 helixtrans-1096.7177.2-57.5-57.3000113.3V41 A66 Q68 E69 S73 I74 T75V41-F71 HydrophobicContact CG1-CE1 4.26Å; V41-F71 HydrophobicContact CG1-CZ 4.03Å; A66-F71 HydrophobicContact CB-CB 3.65Å; A66-F71 HydrophobicContact CB-CD2 3.68Å; A66-F71 HydrophobicContact CB-CG 3.97Å; Q68-F71 HydrophobicContact CB-CD2 3.93Å; Q68-F71 HydrophobicContact CB-CE2 4.43Å; Q68-F71 PolarHBondContact O-N 3.21Å; E69-F71 PolarHBondContact O-N 2.85Å; F71-S73 VanDerWaalsContact C-N 3.26Å; F71-S73 PolarHBondContact O-N 2.94Å; F71-I74 HydrophobicContact CD1-CD1 4.01Å; F71-I74 WeakPolarHBondContact O-CB 3.48Å; F71-I74 PolarHBondContact O-N 3.02Å; F71-I74 VanDerWaalsContact O-N 3.11Å; F71-T75 PolarHBondContact O-N 3.01Å; F71-T75 PolarHBondContact O-OG1 2.91Å
72R79.4Confident85.9Confident50 Ų5053 Ų5319%0.18925%0.249CC..Hα-helixtrans-59.2-34.3178.4-84.5-173.9174.7-178.96.2112.8E69 I74 T75 R76 E102 W103 E106E69-R72 WeakPolarHBondContact O-CB 3.48Å; E69-R72 PolarHBondContact O-N 2.84Å; R72-I74 VanDerWaalsContact C-N 3.29Å; R72-I74 PolarHBondContact O-N 2.78Å; R72-T75 WeakPolarHBondContact O-CB 3.18Å; R72-T75 PolarHBondContact O-N 2.87Å; R72-R76 VanDerWaalsContact O-CG 3.31Å; R72-R76 WeakPolarHBondContact O-CG 3.42Å; R72-R76 PolarHBondContact O-N 2.87Å; R72-E102 IonicContact NH1-OE2 3.31Å; R72-E102 IonicContact NH2-OE2 3.13Å; R72-W103 HydrophobicContact CG-CH2 4.09Å; R72-W103 HydrophobicContact CG-CZ3 4.38Å; R72-E106 WeakPolarHBondContact CD-OE2 3.22Å
73S79Confident85.8Confident85 Ų8553 Ų5359%0.59425%0.249SC*.Hα-helixtrans-60.6-37.1176.157.20000113F71F71-S73 VanDerWaalsContact C-N 3.26Å; F71-S73 PolarHBondContact O-N 2.94Å
74I80.4Confident85.9Confident67 Ų6751 Ų5134%0.34424%0.242SC..Hα-helixtrans-69.1-46.2176.1-56.4176.7000109.4V43 F71 R72 R76 A77 Y78V43-I74 HydrophobicContact CG2-CG2 3.93Å; F71-I74 HydrophobicContact CD1-CD1 4.01Å; F71-I74 WeakPolarHBondContact O-CB 3.48Å; F71-I74 PolarHBondContact O-N 3.02Å; F71-I74 VanDerWaalsContact O-N 3.11Å; R72-I74 VanDerWaalsContact C-N 3.29Å; R72-I74 PolarHBondContact O-N 2.78Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 2.86Å; I74-A77 WeakPolarHBondContact O-CB 3.18Å; I74-A77 PolarHBondContact O-N 3.16Å; I74-Y78 HydrophobicContact CG2-CE2 4.16Å; I74-Y78 VanDerWaalsContact O-CD2 3.24Å; I74-Y78 WeakPolarHBondContact O-CD2 3.33Å; I74-Y78 WeakPolarHBondContact O-CE2 3.48Å
75T83.4Confident86.1Confident0 Ų051 Ų510%024%0.242CC..Hα-helixtrans-57.2-40.8179.7-58.90000112.2I12 I14 T65 F71 R72 A77 Y78 Y79 W103I12-T75 HydrophobicContact CD1-CG2 4.39Å; I14-T75 HydrophobicContact CG2-CG2 4.16Å; T65-T75 HydrophobicContact CG2-CG2 3.96Å; F71-T75 PolarHBondContact O-N 3.01Å; F71-T75 PolarHBondContact O-OG1 2.91Å; R72-T75 WeakPolarHBondContact O-CB 3.18Å; R72-T75 PolarHBondContact O-N 2.87Å; T75-A77 PolarHBondContact O-N 2.7Å; T75-A77 VanDerWaalsContact O-N 3.14Å; T75-Y78 PolarHBondContact O-N 2.99Å; T75-Y79 HydrophobicContact CG2-CE1 4.1Å; T75-Y79 HydrophobicContact CG2-CE2 4.46Å; T75-W103 HydrophobicContact CG2-CZ3 4.42Å
76R85.3Confident86.4Confident102 Ų10251 Ų5139%0.38524%0.242SC..Hα-helixtrans-56.7-31.4-179.9-73.3166.1-171.3-172.91.4114.1R72 I74 Y78 Y79 E106 H110R72-R76 VanDerWaalsContact O-CG 3.31Å; R72-R76 WeakPolarHBondContact O-CG 3.42Å; R72-R76 PolarHBondContact O-N 2.87Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 2.86Å; R76-Y78 PolarHBondContact O-N 3.31Å; R76-Y79 HydrophobicContact CB-CD2 4.27Å; R76-Y79 HydrophobicContact CB-CE2 4.33Å; R76-Y79 HydrophobicContact CG-CD2 4.21Å; R76-Y79 HydrophobicContact CG-CE2 3.85Å; R76-Y79 PolarHBondContact O-N 2.95Å; R76-E106 HydrophobicContact CG-CG 4.46Å; R76-E106 IonicContact CZ-OE2 3.8Å; R76-E106 VanDerWaalsContact CZ-OE2 3.29Å; R76-E106 IonicContact NE-OE2 2.71Å; R76-E106 PolarHBondContact NE-OE2 3.38Å; R76-E106 IonicContact NH2-OE2 2.73Å; R76-E106 PolarHBondContact NH2-OE2 3.46Å; R76-H110 WeakPolarHBondContact CD-NE2 3.44Å
77A85.8Confident87Confident70 Ų7051 Ų5158%0.57924%0.242SC*.Hα-helixtrans-65.4-19.317800000113.3I74 T75I74-A77 WeakPolarHBondContact O-CB 3.18Å; I74-A77 PolarHBondContact O-N 3.16Å; T75-A77 PolarHBondContact O-N 2.7Å; T75-A77 VanDerWaalsContact O-N 3.14Å
78Y89.4Confident88Confident68 Ų6850.6 Ų50.627%0.26724%0.237SC..Hα-helixtrans-98-13.8-175.7-65-95.6000113.6V43 W63 I74 T75 R76 S82V43-Y78 HydrophobicContact CB-CD2 4.46Å; V43-Y78 HydrophobicContact CB-CE1 4.44Å; V43-Y78 HydrophobicContact CB-CE2 3.93Å; V43-Y78 HydrophobicContact CG1-CD1 4.17Å; V43-Y78 HydrophobicContact CG1-CD2 4.37Å; V43-Y78 HydrophobicContact CG1-CE1 3.91Å; V43-Y78 HydrophobicContact CG1-CE2 4.14Å; V43-Y78 HydrophobicContact CG1-CG 4.4Å; V43-Y78 HydrophobicContact CG2-CD2 3.8Å; V43-Y78 HydrophobicContact CG2-CE2 3.55Å; W63-Y78 AromaticContact CD2-CD1 3.81Å; W63-Y78 HydrophobicContact CD2-CD1 3.81Å; W63-Y78 AromaticContact CD2-CE1 3.94Å; W63-Y78 HydrophobicContact CD2-CE1 3.94Å; W63-Y78 AromaticContact CE2-CD1 3.95Å; W63-Y78 HydrophobicContact CE3-CD1 4.28Å; W63-Y78 AromaticContact CE3-CE1 3.99Å; W63-Y78 HydrophobicContact CE3-CE1 3.99Å; W63-Y78 AromaticContact CG-CD1 3.91Å; W63-Y78 HydrophobicContact CG-CD1 3.91Å; W63-Y78 HydrophobicContact CG-CE1 4.5Å; W63-Y78 HydrophobicContact CH2-CE1 4.22Å; W63-Y78 HydrophobicContact CZ2-CE1 4.22Å; W63-Y78 HydrophobicContact CZ3-CE1 4.07Å; I74-Y78 HydrophobicContact CG2-CE2 4.16Å; I74-Y78 VanDerWaalsContact O-CD2 3.24Å; I74-Y78 WeakPolarHBondContact O-CD2 3.33Å; I74-Y78 WeakPolarHBondContact O-CE2 3.48Å; T75-Y78 PolarHBondContact O-N 2.99Å; R76-Y78 PolarHBondContact O-N 3.31Å; Y78-S82 PolarHBondContact O-OG 3.37Å
79Y91.1Very high89Confident0 Ų048.4 Ų48.40%023%0.227CC..Hα-helixtrans-61.7-49.9178.2-66.3-43.9000112.3I12 I14 T75 R76 N81 S82 E106 A107 H110 I116I12-Y79 HydrophobicContact CD1-CD1 3.69Å; I12-Y79 HydrophobicContact CD1-CE1 3.84Å; I14-Y79 HydrophobicContact CD1-CE1 4.18Å; I14-Y79 HydrophobicContact CG2-CE1 3.89Å; T75-Y79 HydrophobicContact CG2-CE1 4.1Å; T75-Y79 HydrophobicContact CG2-CE2 4.46Å; R76-Y79 HydrophobicContact CB-CD2 4.27Å; R76-Y79 HydrophobicContact CB-CE2 4.33Å; R76-Y79 HydrophobicContact CG-CD2 4.21Å; R76-Y79 HydrophobicContact CG-CE2 3.85Å; R76-Y79 PolarHBondContact O-N 2.95Å; Y79-N81 PolarHBondContact O-N 3.47Å; Y79-S82 PolarHBondContact O-N 3.05Å; Y79-E106 HydrophobicContact CE2-CG 4.09Å; Y79-E106 PolarHBondContact OH-OE1 2.94Å; Y79-A107 HydrophobicContact CD1-CB 3.95Å; Y79-A107 HydrophobicContact CE1-CB 3.79Å; Y79-A107 HydrophobicContact CE2-CB 4.48Å; Y79-A107 HydrophobicContact CG-CB 4.4Å; Y79-H110 HydrophobicContact CD2-CB 3.66Å; Y79-H110 HydrophobicContact CG-CB 4.35Å; Y79-I116 HydrophobicContact CD1-CD1 4.24Å
80R89.8Confident90.1Very high148 Ų14841.5 Ų41.556%0.55820%0.195SC*.THydrogen-bonded Turntrans-53.3-34.1-175.5-178.2176.3177.5142.40.4113.9W186R80-W186 VanDerWaalsContact O-CD1 3.24Å; R80-W186 PolarHBondContact O-NE1 3.28Å
81N92.4Very high91.2Very high44 Ų4432.8 Ų32.824%0.23516%0.162CC..THydrogen-bonded Turntrans-101.914.4-174.6-78.6-37.9000113.4R10 Y79 E187 G188R10-N81 VanDerWaalsContact CB-O 3.23Å; R10-N81 WeakPolarHBondContact CB-O 3.19Å; R10-N81 VanDerWaalsContact CD-O 3.24Å; R10-N81 WeakPolarHBondContact CD-O 3.29Å; Y79-N81 PolarHBondContact O-N 3.47Å; N81-E187 HydrophobicContact CB-CB 4.04Å; N81-E187 PolarHBondContact OD1-N 3.06Å; N81-G188 WeakPolarHBondContact O-CA 3.49Å; N81-G188 PolarHBondContact O-N 3.39Å
82S95.9Very high92.1Very high0 Ų031.6 Ų31.60%016%0.158CC..  trans-105.5134.2178.4-61.60000110.1R10 Y78 Y79R10-S82 WeakPolarHBondContact O-CA 3.27Å; Y78-S82 PolarHBondContact O-OG 3.37Å; Y79-S82 PolarHBondContact O-N 3.05Å
83V97.3Very high93Very high0 Ų031.4 Ų31.40%016%0.161CC..SBendtrans-92.9-27.5172.964.80000111.7F9 R10 V117 I171 I180 W186 G188 V189F9-V83 HydrophobicContact CB-CG1 3.82Å; F9-V83 HydrophobicContact CD1-CG1 4.37Å; F9-V83 HydrophobicContact CG-CG1 4.17Å; R10-V83 WeakPolarHBondContact O-CG1 3.4Å; R10-V83 PolarHBondContact O-N 2.81Å; V83-V117 PolarHBondContact O-N 3.46Å; V83-I171 HydrophobicContact CG1-CD1 4.16Å; V83-I171 HydrophobicContact CG1-CG2 4.05Å; V83-I171 HydrophobicContact CG2-CG1 4.49Å; V83-I171 HydrophobicContact CG2-CG2 3.63Å; V83-I180 HydrophobicContact CG2-CD1 3.86Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V83-W186 HydrophobicContact CB-CH2 4.01Å; V83-W186 HydrophobicContact CB-CZ2 4.16Å; V83-W186 HydrophobicContact CG2-CH2 3.88Å; V83-W186 HydrophobicContact CG2-CZ2 4.44Å; V83-G188 WeakPolarHBondContact CG1-O 3.38Å; V83-V189 HydrophobicContact CB-CG2 3.89Å; V83-V189 HydrophobicContact CG1-CG2 4.09Å; V83-V189 HydrophobicContact CG2-CG2 3.59Å
84G97.8Very high93.9Very high0 Ų031.8 Ų31.80%015%0.15CC..EExtended strand (participates in β ladder)trans-136.3159.9-18000000112.7R10 L11 I12 V117R10-G84 PolarHBondContact O-N 3.09Å; L11-G84 VanDerWaalsContact CA-O 3.28Å; L11-G84 WeakPolarHBondContact CA-O 3.12Å; I12-G84 PolarHBondContact N-O 3Å; G84-V117 CarbonylContact C-O 3.51Å; G84-V117 WeakPolarHBondContact CA-O 3.25Å
85G97.4Very high94.8Very high0 Ų036.6 Ų36.60%016%0.163CC..EExtended strand (participates in β ladder)trans-149146174.500000113.9I12 V117 F118 L119I12-G85 CarbonylContact O-C 3.52Å; I12-G85 WeakPolarHBondContact O-CA 3.36Å; G85-V117 PolarHBondContact N-O 3.16Å; G85-F118 WeakPolarHBondContact O-CA 3.42Å; G85-F118 WeakPolarHBondContact O-CD1 3.34Å; G85-L119 PolarHBondContact O-N 3.34Å
86L98.5Very high95.5Very high0 Ų036.7 Ų36.70%016%0.164CC..EExtended strand (participates in β ladder)trans-99.5119.4166.4-61.592.9000107.6I12 V13 I14 L24 L88 V121 A163 F164 L167I12-L86 PolarHBondContact O-N 3.22Å; V13-L86 WeakPolarHBondContact CA-O 3.21Å; V13-L86 HydrophobicContact CG1-CB 4.34Å; V13-L86 HydrophobicContact CG2-CB 4.42Å; V13-L86 HydrophobicContact CG2-CD1 4.03Å; I14-L86 PolarHBondContact N-O 3.34Å; L24-L86 HydrophobicContact CD2-CD2 4.25Å; L86-L88 HydrophobicContact CB-CD1 3.57Å; L86-V121 HydrophobicContact CB-CG2 4.16Å; L86-V121 HydrophobicContact CD2-CG2 4.02Å; L86-V121 HydrophobicContact CG-CG2 4.5Å; L86-A163 HydrophobicContact CD2-CB 4.19Å; L86-F164 HydrophobicContact CD1-CD1 3.93Å; L86-F164 HydrophobicContact CD1-CE1 3.58Å; L86-F164 HydrophobicContact CD1-CZ 4.25Å; L86-F164 HydrophobicContact CD2-CD1 4.33Å; L86-F164 HydrophobicContact CD2-CE1 4.09Å; L86-F164 HydrophobicContact CD2-CE2 4.33Å; L86-F164 HydrophobicContact CD2-CZ 4.09Å; L86-L167 HydrophobicContact CD1-CD2 3.74Å; L86-L167 HydrophobicContact CG-CD2 3.99Å
87L98.3Very high96.1Very high0 Ų032.6 Ų32.60%015%0.149CC..EExtended strand (participates in β ladder)trans-100.4104.9176.8176.853.2000108.5I14 V100 W103 L104 F118 L119 L120 V121 M147I14-L87 HydrophobicContact CD1-CD1 4.06Å; I14-L87 HydrophobicContact CG1-CB 4.46Å; I14-L87 HydrophobicContact CG1-CD1 3.85Å; L87-V100 HydrophobicContact CD2-CG1 3.63Å; L87-V100 HydrophobicContact CG-CG1 4.15Å; L87-W103 HydrophobicContact CD1-CB 3.57Å; L87-W103 HydrophobicContact CD1-CG 4.2Å; L87-L104 HydrophobicContact CD2-CB 4.09Å; L87-F118 HydrophobicContact CB-CD1 4.14Å; L87-L119 PolarHBondContact N-O 2.96Å; 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 3.18Å; L87-M147 HydrophobicContact CD2-CE 4.42Å
88L98.6Very high96.7Very high2 Ų235.1 Ų35.11%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-96.9139.9-172.7-83.367.2000111.9V13 I14 G15 V19 K21 L24 L86 V121V13-L88 HydrophobicContact CG1-CD1 3.63Å; V13-L88 HydrophobicContact CG1-CD2 4.29Å; I14-L88 PolarHBondContact O-N 3.09Å; G15-L88 WeakPolarHBondContact CA-O 3.39Å; V19-L88 HydrophobicContact CG2-CB 3.8Å; K21-L88 HydrophobicContact CB-CD2 4.43Å; K21-L88 HydrophobicContact CG-CB 4.4Å; K21-L88 HydrophobicContact CG-CD2 4Å; L24-L88 HydrophobicContact CB-CD2 4.34Å; L24-L88 HydrophobicContact CD2-CD1 4.18Å; L24-L88 HydrophobicContact CD2-CD2 3.77Å; L24-L88 HydrophobicContact CD2-CG 4.31Å; L86-L88 HydrophobicContact CB-CD1 3.57Å; L88-V121 WeakPolarHBondContact CA-O 3.37Å; L88-V121 HydrophobicContact CD1-CB 3.88Å; L88-V121 HydrophobicContact CD1-CG1 4.34Å; L88-V121 HydrophobicContact CD1-CG2 4.1Å; L88-V121 HydrophobicContact CG-CB 3.87Å; L88-V121 HydrophobicContact CG-CG1 4.03Å
89F98.8Very high97.1Very high0 Ų033 Ų330%014%0.142CC..EExtended strand (participates in β ladder)trans-129.3164.5157.669.3-87.7000109.5I91 F97 V100 L120 V121 H123 V133 A138 Y149F89-I91 HydrophobicContact CE2-CG2 4.03Å; F89-F97 HydrophobicContact CB-CB 4.37Å; F89-F97 AromaticContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CB 3.81Å; F89-F97 AromaticContact CD2-CD2 3.85Å; F89-F97 HydrophobicContact CD2-CD2 3.85Å; F89-F97 HydrophobicContact CD2-CG 4.26Å; F89-F97 AromaticContact CE1-CD2 3.72Å; F89-F97 HydrophobicContact CE1-CD2 3.72Å; F89-F97 HydrophobicContact CE1-CE2 4.07Å; F89-F97 HydrophobicContact CE2-CB 4.29Å; F89-F97 AromaticContact CE2-CD2 3.73Å; F89-F97 HydrophobicContact CE2-CD2 3.73Å; F89-F97 HydrophobicContact CE2-CE2 4.46Å; F89-F97 HydrophobicContact CE2-CG 4.32Å; F89-F97 HydrophobicContact CG-CB 4.12Å; F89-F97 AromaticContact CG-CD2 3.92Å; F89-F97 HydrophobicContact CG-CD2 3.92Å; F89-F97 AromaticContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.02Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; F89-L120 HydrophobicContact CD1-CD1 3.92Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 4.02Å; F89-L120 HydrophobicContact CE1-CD2 4.04Å; F89-L120 HydrophobicContact CE1-CG 3.9Å; F89-V121 WeakPolarHBondContact CD1-O 3.3Å; F89-V121 PolarHBondContact N-O 3.43Å; F89-H123 WeakPolarHBondContact O-CB 3.3Å; F89-H123 PolarHBondContact O-N 2.99Å; F89-V133 HydrophobicContact CE2-CB 4.02Å; F89-V133 HydrophobicContact CE2-CG1 3.76Å; F89-V133 HydrophobicContact CE2-CG2 4.28Å; F89-V133 HydrophobicContact CZ-CG1 4.18Å; F89-A138 HydrophobicContact CE1-CB 4.3Å; F89-A138 HydrophobicContact CZ-CB 3.73Å; F89-Y149 AromaticContact CE1-CE2 3.67Å; F89-Y149 HydrophobicContact CE1-CE2 3.67Å; F89-Y149 AromaticContact CZ-CE2 3.7Å; F89-Y149 HydrophobicContact CZ-CE2 3.7Å; F89-Y149 WeakPolarHBondContact CZ-OH 3.45Å
90D98.6Very high97.4Very high6 Ų633.1 Ų33.13%0.03214%0.143CC..EExtended strand (participates in β ladder)trans-98.9123.9175.9174.4-2.4000109.2V19 T92 N93 S96 K124V19-D90 HydrophobicContact CB-CB 4.19Å; V19-D90 HydrophobicContact CG1-CB 4.19Å; D90-T92 PolarHBondContact O-N 2.9Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 PolarHBondContact OD1-N 3.06Å; D90-T92 PolarHBondContact OD1-OG1 3.3Å; D90-T92 VanDerWaalsContact OD1-OG1 3.05Å; D90-T92 PolarHBondContact OD2-OG1 3.17Å; D90-N93 HydrophobicContact CB-CB 3.99Å; D90-N93 CarbonylContact O-C 3.45Å; D90-N93 PolarHBondContact O-N 3.34Å; D90-S96 PolarHBondContact N-OG 3.28Å; D90-S96 PolarHBondContact O-OG 3.18Å; D90-K124 WeakPolarHBondContact OD2-CD 3.43Å; D90-K124 VanDerWaalsContact OD2-CE 3.28Å; D90-K124 WeakPolarHBondContact OD2-CE 3.28Å; D90-K124 IonicContact OD2-NZ 3.93Å; D90-K124 PolarHBondContact OD2-NZ 2.94Å
91I98.8Very high97.7Very high0 Ų030.3 Ų30.30%014%0.136CC..THydrogen-bonded Turntrans-63.2-21-177.167.6154000112.7F89 N93 H123 C125 R131 Q132 V133F89-I91 HydrophobicContact CE2-CG2 4.03Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-H123 WeakPolarHBondContact CG1-O 3.5Å; I91-H123 PolarHBondContact N-O 2.87Å; I91-C125 HydrophobicContact CD1-CB 4.31Å; I91-R131 HydrophobicContact CD1-CB 4.34Å; I91-R131 HydrophobicContact CD1-CG 4.37Å; I91-Q132 PolarHBondContact O-N 3.45Å; I91-V133 PolarHBondContact O-N 3.05Å
92T98.6Very high97.8Very high21 Ų2132.9 Ų32.913%0.12915%0.146CC..THydrogen-bonded Turntrans-92.35.2177.379.80000112.4D90 L127 Q130 Q132D90-T92 PolarHBondContact O-N 2.9Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 PolarHBondContact OD1-N 3.06Å; D90-T92 PolarHBondContact OD1-OG1 3.3Å; D90-T92 VanDerWaalsContact OD1-OG1 3.05Å; D90-T92 PolarHBondContact OD2-OG1 3.17Å; T92-L127 HydrophobicContact CG2-CB 3.55Å; T92-L127 HydrophobicContact CG2-CD1 4.04Å; T92-L127 HydrophobicContact CG2-CG 4.45Å; T92-Q130 WeakPolarHBondContact CA-O 3.32Å; T92-Q130 WeakPolarHBondContact CB-O 3.34Å; T92-Q130 HydrophobicContact CG2-CB 3.75Å; T92-Q132 PolarHBondContact O-NE2 3.15Å; T92-Q132 PolarHBondContact O-OE1 3.22Å
93N98.4Very high97.8Very high47 Ų4733 Ų3325%0.25115%0.147SC..  trans-133.895.1-178.6-179.8-7.2000110.8D90 I91 R95 S96D90-N93 HydrophobicContact CB-CB 3.99Å; D90-N93 CarbonylContact O-C 3.45Å; D90-N93 PolarHBondContact O-N 3.34Å; I91-N93 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.36Å; N93-R95 VanDerWaalsContact O-N 3.17Å; N93-R95 WeakPolarHBondContact OD1-CB 3.49Å; N93-R95 PolarHBondContact OD1-N 3.29Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; N93-S96 PolarHBondContact O-N 3.14Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 2.85Å; N93-S96 PolarHBondContact OD1-N 3.47Å
94R98.3Very high97.7Very high93 Ų9333 Ų3335%0.35115%0.147SC..Hα-helixtrans-52.9-37.9179.6-172.173.1-176-167.312.7113.7S96 F97 Q98 Q132 E137R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 3.08Å; R94-F97 WeakPolarHBondContact O-CB 3.42Å; R94-F97 PolarHBondContact O-N 3.1Å; R94-Q98 WeakPolarHBondContact O-CG 3.34Å; R94-Q98 PolarHBondContact O-N 2.66Å; R94-Q132 HydrophobicContact CB-CB 4.23Å; R94-Q132 PolarHBondContact NH1-O 2.74Å; R94-E137 IonicContact CZ-OE1 2.69Å; R94-E137 IonicContact CZ-OE2 3.52Å; R94-E137 VanDerWaalsContact NH1-CD 3.25Å; R94-E137 IonicContact NH1-OE1 3.43Å; R94-E137 PolarHBondContact NH1-OE1 2.71Å; R94-E137 IonicContact NH1-OE2 2.81Å; R94-E137 PolarHBondContact NH1-OE2 2.94Å; R94-E137 IonicContact NH2-OE2 2.73Å; R94-E137 PolarHBondContact NH2-OE2 2.86Å
95R98.1Very high97.5Very high168 Ų16836.8 Ų36.863%0.63417%0.165SC*.Hα-helixtrans-63.5-41-178.9-177.6-179176.4-172.4-2.8111.3N93 F97 Q98 N99N93-R95 PolarHBondContact O-N 3.36Å; N93-R95 VanDerWaalsContact O-N 3.17Å; N93-R95 WeakPolarHBondContact OD1-CB 3.49Å; N93-R95 PolarHBondContact OD1-N 3.29Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; R95-F97 PolarHBondContact O-N 2.82Å; R95-Q98 PolarHBondContact O-N 2.99Å; R95-Q98 VanDerWaalsContact O-N 3.15Å; R95-N99 VanDerWaalsContact O-CG 3.3Å; R95-N99 PolarHBondContact O-N 3.33Å
96S98.4Very high97.2Very high1 Ų137.5 Ų37.51%0.00717%0.168CC..Hα-helixtrans-62.1-33.3178.273.10000112.4D90 N93 R94D90-S96 PolarHBondContact N-OG 3.28Å; D90-S96 PolarHBondContact O-OG 3.18Å; N93-S96 PolarHBondContact O-N 3.14Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 2.85Å; N93-S96 PolarHBondContact OD1-N 3.47Å; R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 3.08Å
97F98.6Very high96.9Very high16 Ų1637.5 Ų37.57%0.0717%0.168CC..Hα-helixtrans-72.3-40.1174179.2-111.6000112.6F89 R94 R95 N99 V100 V133 E137 A138 L141F89-F97 HydrophobicContact CB-CB 4.37Å; F89-F97 AromaticContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CB 3.81Å; F89-F97 AromaticContact CD2-CD2 3.85Å; F89-F97 HydrophobicContact CD2-CD2 3.85Å; F89-F97 HydrophobicContact CD2-CG 4.26Å; F89-F97 AromaticContact CE1-CD2 3.72Å; F89-F97 HydrophobicContact CE1-CD2 3.72Å; F89-F97 HydrophobicContact CE1-CE2 4.07Å; F89-F97 HydrophobicContact CE2-CB 4.29Å; F89-F97 AromaticContact CE2-CD2 3.73Å; F89-F97 HydrophobicContact CE2-CD2 3.73Å; F89-F97 HydrophobicContact CE2-CE2 4.46Å; F89-F97 HydrophobicContact CE2-CG 4.32Å; F89-F97 HydrophobicContact CG-CB 4.12Å; F89-F97 AromaticContact CG-CD2 3.92Å; F89-F97 HydrophobicContact CG-CD2 3.92Å; F89-F97 AromaticContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; R94-F97 WeakPolarHBondContact O-CB 3.42Å; R94-F97 PolarHBondContact O-N 3.1Å; R95-F97 PolarHBondContact O-N 2.82Å; F97-N99 PolarHBondContact O-N 2.96Å; F97-V100 HydrophobicContact CD2-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.25Å; F97-V100 WeakPolarHBondContact O-CB 3.38Å; F97-V100 VanDerWaalsContact O-CG2 3.25Å; F97-V100 WeakPolarHBondContact O-CG2 3.22Å; F97-V100 PolarHBondContact O-N 2.73Å; F97-V133 HydrophobicContact CB-CG1 4.33Å; F97-V133 HydrophobicContact CB-CG2 3.66Å; F97-V133 HydrophobicContact CD1-CG1 3.82Å; F97-V133 HydrophobicContact CD1-CG2 4.16Å; F97-V133 HydrophobicContact CD2-CG1 3.84Å; F97-V133 HydrophobicContact CE1-CG1 3.99Å; F97-V133 HydrophobicContact CE2-CG1 4.01Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.94Å; F97-V133 HydrophobicContact CZ-CG1 4.08Å; F97-E137 HydrophobicContact CE1-CG 3.99Å; F97-E137 HydrophobicContact CZ-CG 4.04Å; F97-A138 HydrophobicContact CE2-CB 3.94Å; F97-A138 HydrophobicContact CZ-CB 4.38Å; F97-L141 HydrophobicContact CD2-CD2 4.18Å; F97-L141 HydrophobicContact CE1-CD2 4.4Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; F97-L141 HydrophobicContact CE2-CD2 3.43Å; F97-L141 VanDerWaalsContact CE2-CD2 3.43Å; F97-L141 HydrophobicContact CE2-CG 4.48Å; F97-L141 HydrophobicContact CZ-CB 3.95Å; F97-L141 HydrophobicContact CZ-CD2 3.57Å; F97-L141 HydrophobicContact CZ-CG 4.34Å
98Q98.1Very high96.6Very high123 Ų12342.6 Ų42.658%0.57519%0.187SC*.Hα-helixtrans-61.2-35.4174.6-70.4169.4-27.900111.9R94 R95 V100R94-Q98 WeakPolarHBondContact O-CG 3.34Å; R94-Q98 PolarHBondContact O-N 2.66Å; R95-Q98 PolarHBondContact O-N 2.99Å; R95-Q98 VanDerWaalsContact O-N 3.15Å; Q98-V100 VanDerWaalsContact C-N 3.26Å; Q98-V100 PolarHBondContact O-N 2.63Å
99N97.6Very high96.2Very high25 Ų2545.9 Ų45.913%0.13421%0.21CC..THydrogen-bonded Turntrans-75.5-8.6179.4-68.8-9.7000114.1D16 R95 F97 H101 E102 W103D16-N99 PolarHBondContact OD1-ND2 2.69Å; D16-N99 PolarHBondContact OD2-ND2 3.3Å; R95-N99 VanDerWaalsContact O-CG 3.3Å; R95-N99 PolarHBondContact O-N 3.33Å; F97-N99 PolarHBondContact O-N 2.96Å; N99-H101 PolarHBondContact O-N 2.81Å; N99-E102 PolarHBondContact O-N 3.21Å; N99-E102 VanDerWaalsContact O-N 3.12Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.64Å; N99-W103 VanDerWaalsContact O-N 3.15Å
100V97.8Very high95.6Very high1 Ų149.2 Ų49.21%0.00623%0.226CC..Hα-helixtrans-54.3-41.7178167.40000111.4L87 F89 F97 Q98 E102 W103 L104 L120 L141L87-V100 HydrophobicContact CD2-CG1 3.63Å; L87-V100 HydrophobicContact CG-CG1 4.15Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.02Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; F97-V100 HydrophobicContact CD2-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.25Å; F97-V100 WeakPolarHBondContact O-CB 3.38Å; F97-V100 VanDerWaalsContact O-CG2 3.25Å; F97-V100 WeakPolarHBondContact O-CG2 3.22Å; F97-V100 PolarHBondContact O-N 2.73Å; Q98-V100 VanDerWaalsContact C-N 3.26Å; Q98-V100 PolarHBondContact O-N 2.63Å; V100-E102 PolarHBondContact O-N 3.11Å; V100-W103 PolarHBondContact O-N 3.23Å; V100-L104 WeakPolarHBondContact O-CB 3.46Å; V100-L104 PolarHBondContact O-N 3.39Å; V100-L120 HydrophobicContact CG1-CD1 3.64Å; V100-L120 HydrophobicContact CG2-CD1 4.1Å; V100-L141 HydrophobicContact CB-CD2 4.14Å; V100-L141 HydrophobicContact CG1-CD2 3.82Å
101H95.6Very high95Very high89 Ų8949.2 Ų49.241%0.41223%0.226SC..Hα-helixtrans-60.6-46.3178.417649.5000111.9N99 W103 L104 E105 Y145N99-H101 PolarHBondContact O-N 2.81Å; H101-W103 PolarHBondContact O-N 3.38Å; H101-L104 PolarHBondContact O-N 2.98Å; H101-E105 WeakPolarHBondContact CE1-CG 3.39Å; H101-E105 IonicContact CE1-OE1 3.59Å; H101-E105 IonicContact ND1-OE1 2.75Å; H101-E105 WeakPolarHBondContact O-CG 3.41Å; H101-E105 PolarHBondContact O-N 3.29Å; H101-Y145 AromaticContact ND1-CZ 3.7Å; H101-Y145 PolarHBondContact ND1-OH 2.84Å
102E95.3Very high94.1Very high98 Ų9856.1 Ų56.146%0.45826%0.258SS..Hα-helixtrans-62.5-42.7-179.8-62.4-175.3-178.900112.2R72 N99 V100 L104 E106R72-E102 IonicContact NH1-OE2 3.31Å; R72-E102 IonicContact NH2-OE2 3.13Å; N99-E102 PolarHBondContact O-N 3.21Å; N99-E102 VanDerWaalsContact O-N 3.12Å; V100-E102 PolarHBondContact O-N 3.11Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.08Å; E102-E106 WeakPolarHBondContact O-CB 3.26Å; E102-E106 PolarHBondContact O-N 3.07Å
103W95.5Very high93.1Very high2 Ų260 Ų601%0.00828%0.283CS..Hα-helixtrans-62.4-41.2176.5-80108.2000112.1I14 G15 D16 R72 T75 L87 N99 V100 H101 A107I14-W103 HydrophobicContact CB-CE3 4.1Å; I14-W103 HydrophobicContact CB-CZ3 4.39Å; I14-W103 HydrophobicContact CD1-CB 4.39Å; I14-W103 HydrophobicContact CD1-CE3 4.43Å; G15-W103 VanDerWaalsContact C-CE2 3.46Å; G15-W103 VanDerWaalsContact O-CZ2 3.29Å; G15-W103 WeakPolarHBondContact O-CZ2 3.46Å; D16-W103 PolarHBondContact OD1-NE1 3.29Å; R72-W103 HydrophobicContact CG-CH2 4.09Å; R72-W103 HydrophobicContact CG-CZ3 4.38Å; T75-W103 HydrophobicContact CG2-CZ3 4.42Å; L87-W103 HydrophobicContact CD1-CB 3.57Å; L87-W103 HydrophobicContact CD1-CG 4.2Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.64Å; N99-W103 VanDerWaalsContact O-N 3.15Å; V100-W103 PolarHBondContact O-N 3.23Å; H101-W103 PolarHBondContact O-N 3.38Å; W103-A107 WeakPolarHBondContact O-CB 3.35Å; W103-A107 PolarHBondContact O-N 2.94Å
104L94.6Very high92.2Very high0 Ų059.1 Ų59.10%028%0.278CS..Hα-helixtrans-66.9-46.5179.3-176.962.6000112L87 V100 H101 E102 A107 R108 F118 Y145 M147L87-L104 HydrophobicContact CD2-CB 4.09Å; V100-L104 WeakPolarHBondContact O-CB 3.46Å; V100-L104 PolarHBondContact O-N 3.39Å; H101-L104 PolarHBondContact O-N 2.98Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.08Å; L104-A107 PolarHBondContact O-N 3.44Å; L104-R108 HydrophobicContact CD1-CG 4.45Å; L104-R108 WeakPolarHBondContact O-CB 3.36Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.43Å; L104-F118 HydrophobicContact CD1-CD2 3.71Å; L104-F118 HydrophobicContact CD1-CE2 3.99Å; L104-F118 HydrophobicContact CD1-CG 4.3Å; L104-Y145 HydrophobicContact CD2-CD1 3.43Å; L104-Y145 VanDerWaalsContact CD2-CD1 3.43Å; L104-Y145 HydrophobicContact CD2-CD2 3.77Å; L104-Y145 HydrophobicContact CD2-CE1 3.89Å; L104-Y145 HydrophobicContact CD2-CE2 4.17Å; L104-Y145 HydrophobicContact CD2-CG 3.38Å; L104-M147 HydrophobicContact CD1-SD 4.28Å; L104-M147 HydrophobicContact CD2-CE 4.08Å; L104-M147 HydrophobicContact CD2-SD 4.49Å
105E93.3Very high91.7Very high81 Ų8158.6 Ų58.638%0.37929%0.289SS..Hα-helixtrans-65.7-38.3178-68.4-54.9134.400111.9H101 R108 S109H101-E105 WeakPolarHBondContact CE1-CG 3.39Å; H101-E105 IonicContact CE1-OE1 3.59Å; H101-E105 IonicContact ND1-OE1 2.75Å; H101-E105 WeakPolarHBondContact O-CG 3.41Å; H101-E105 PolarHBondContact O-N 3.29Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-R108 IonicContact OE1-NH1 3.84Å; E105-S109 PolarHBondContact O-N 3.13Å; E105-S109 PolarHBondContact O-OG 2.89Å
106E91.8Very high91.5Very high15 Ų1551.5 Ų51.57%0.0726%0.263CS..Hα-helixtrans-61-46.7173.2-171.7-177.480.600111.2R72 R76 Y79 E102 S109 H110R72-E106 WeakPolarHBondContact CD-OE2 3.22Å; R76-E106 HydrophobicContact CG-CG 4.46Å; R76-E106 IonicContact CZ-OE2 3.8Å; R76-E106 VanDerWaalsContact CZ-OE2 3.29Å; R76-E106 IonicContact NE-OE2 2.71Å; R76-E106 PolarHBondContact NE-OE2 3.38Å; R76-E106 IonicContact NH2-OE2 2.73Å; R76-E106 PolarHBondContact NH2-OE2 3.46Å; Y79-E106 HydrophobicContact CE2-CG 4.09Å; Y79-E106 PolarHBondContact OH-OE1 2.94Å; E102-E106 WeakPolarHBondContact O-CB 3.26Å; E102-E106 PolarHBondContact O-N 3.07Å; E106-S109 PolarHBondContact O-N 3.33Å; E106-S109 PolarHBondContact O-OG 3.42Å; E106-H110 PolarHBondContact O-ND1 3.47Å
107A92.4Very high91.4Very high0 Ų052.7 Ų52.70%027%0.27CS..Hα-helixtrans-63.5-44.8178.800000112.1I14 Y79 W103 L104 S109 H110 V111 F118I14-A107 HydrophobicContact CD1-CB 4.25Å; Y79-A107 HydrophobicContact CD1-CB 3.95Å; Y79-A107 HydrophobicContact CE1-CB 3.79Å; Y79-A107 HydrophobicContact CE2-CB 4.48Å; Y79-A107 HydrophobicContact CG-CB 4.4Å; W103-A107 WeakPolarHBondContact O-CB 3.35Å; W103-A107 PolarHBondContact O-N 2.94Å; L104-A107 PolarHBondContact O-N 3.44Å; A107-S109 VanDerWaalsContact C-N 3.3Å; A107-S109 PolarHBondContact O-N 3.06Å; A107-H110 PolarHBondContact O-N 2.93Å; A107-H110 VanDerWaalsContact O-N 3.14Å; A107-V111 PolarHBondContact O-N 3.09Å; A107-F118 HydrophobicContact CB-CE2 3.89Å; A107-F118 HydrophobicContact CB-CZ 3.59Å
108R91Very high91.4Very high106 Ų10652.8 Ų52.840%0.427%0.271SS..Hα-helixtrans-61.6-35179.7-76.4176.9173.8-175.7-3.9113.1L104 E105 H110 Y145L104-R108 HydrophobicContact CD1-CG 4.45Å; L104-R108 WeakPolarHBondContact O-CB 3.36Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.43Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-R108 IonicContact OE1-NH1 3.84Å; R108-H110 VanDerWaalsContact C-N 3.28Å; R108-H110 PolarHBondContact O-N 3.49Å; R108-Y145 PolarHBondContact NH2-O 2.92Å
109S90.3Very high91.4Very high71 Ų7147 Ų4750%0.49724%0.244SC..Hα-helixtrans-72.7-16.5177.953.20000114.2E105 E106 A107E105-S109 PolarHBondContact O-N 3.13Å; E105-S109 PolarHBondContact O-OG 2.89Å; E106-S109 PolarHBondContact O-N 3.33Å; E106-S109 PolarHBondContact O-OG 3.42Å; A107-S109 VanDerWaalsContact C-N 3.3Å; A107-S109 PolarHBondContact O-N 3.06Å
110H87.5Confident91.5Very high70 Ų7045.8 Ų45.832%0.32424%0.237SC..Hα-helixtrans-115.8-5-173.4-68.280.5000114.7R76 Y79 E106 A107 R108R76-H110 WeakPolarHBondContact CD-NE2 3.44Å; Y79-H110 HydrophobicContact CD2-CB 3.66Å; Y79-H110 HydrophobicContact CG-CB 4.35Å; E106-H110 PolarHBondContact O-ND1 3.47Å; A107-H110 PolarHBondContact O-N 2.93Å; A107-H110 VanDerWaalsContact O-N 3.14Å; R108-H110 VanDerWaalsContact C-N 3.28Å; R108-H110 PolarHBondContact O-N 3.49Å
111V85.9Confident91.5Very high7 Ų745.8 Ų45.84%0.04224%0.237CC..SBendtrans-86.1-12.3-178.763.10000113.6A107 H114 I116A107-V111 PolarHBondContact O-N 3.09Å; V111-H114 CarbonylContact C-O 3.48Å; V111-H114 WeakPolarHBondContact CG1-O 3.22Å; V111-H114 HydrophobicContact CG2-CB 4.16Å; V111-H114 WeakPolarHBondContact CG2-O 3.46Å; V111-H114 PolarHBondContact O-N 3.24Å; V111-I116 HydrophobicContact CB-CD1 4.33Å; V111-I116 HydrophobicContact CB-CG1 3.95Å; V111-I116 HydrophobicContact CG1-CG1 4.47Å; V111-I116 HydrophobicContact CG2-CD1 4.09Å; V111-I116 HydrophobicContact CG2-CG1 3.38Å
112Q78.6Confident91.7Very high144 Ų14441.5 Ų41.567%0.67322%0.217SC*.THydrogen-bonded Turntrans-53.3137.9-175.8-65.1-172.413.400112.8
113P77.8Confident91.8Very high102 Ų10237.1 Ų37.166%0.66220%0.197SC*.THydrogen-bonded Turncis-861.59.135.4-36.9000115.5
114H80.9Confident92Very high30 Ų3039.3 Ų39.314%0.13921%0.206CC..SBendtrans-92.6174.6-175.1-52.988.2000112V111 Q183 W186V111-H114 CarbonylContact C-O 3.48Å; V111-H114 WeakPolarHBondContact CG1-O 3.22Å; V111-H114 HydrophobicContact CG2-CB 4.16Å; V111-H114 WeakPolarHBondContact CG2-O 3.46Å; V111-H114 PolarHBondContact O-N 3.24Å; H114-Q183 VanDerWaalsContact NE2-CD 3.26Å; H114-Q183 PolarHBondContact NE2-OE1 3Å; H114-W186 HydrophobicContact CB-CZ2 3.9Å; H114-W186 AromaticContact CD2-CD2 3.55Å; H114-W186 AromaticContact CD2-CE2 3.58Å; H114-W186 AromaticContact CD2-CE3 3.83Å; H114-W186 AromaticContact CD2-CG 4Å; H114-W186 AromaticContact CD2-CZ2 3.89Å; H114-W186 AromaticContact CE1-CD1 3.55Å; H114-W186 AromaticContact CE1-CD2 3.94Å; H114-W186 AromaticContact CE1-CG 3.52Å; H114-W186 AromaticContact CE1-NE1 3.93Å; H114-W186 AromaticContact CG-CD2 3.95Å; H114-W186 AromaticContact CG-CE2 3.56Å; H114-W186 AromaticContact CG-CZ2 3.89Å; H114-W186 AromaticContact CG-NE1 3.61Å; H114-W186 AromaticContact ND1-CD1 3.59Å; H114-W186 AromaticContact ND1-CE2 3.97Å; H114-W186 AromaticContact ND1-CG 3.97Å; H114-W186 AromaticContact ND1-NE1 3.58Å; H114-W186 AromaticContact NE2-CD1 3.95Å; H114-W186 AromaticContact NE2-CD2 3.54Å; H114-W186 AromaticContact NE2-CE2 3.98Å; H114-W186 AromaticContact NE2-CE3 3.92Å; H114-W186 AromaticContact NE2-CG 3.54Å
115S86.8Confident92.2Very high82 Ų8240.1 Ų40.157%0.57321%0.212SC*.  trans-121.2148169.460.80000110.4
116I93.9Very high92.4Very high19 Ų1938 Ų3810%0.09720%0.203CC..  trans-97.1130172.9-50.7-168.7000108.2I12 Y79 V111 F118I12-I116 HydrophobicContact CG2-CD1 4.4Å; Y79-I116 HydrophobicContact CD1-CD1 4.24Å; V111-I116 HydrophobicContact CB-CD1 4.33Å; V111-I116 HydrophobicContact CB-CG1 3.95Å; V111-I116 HydrophobicContact CG1-CG1 4.47Å; V111-I116 HydrophobicContact CG2-CD1 4.09Å; V111-I116 HydrophobicContact CG2-CG1 3.38Å; I116-F118 HydrophobicContact CB-CD2 3.95Å; I116-F118 HydrophobicContact CB-CE2 3.53Å; I116-F118 HydrophobicContact CB-CZ 3.96Å; I116-F118 HydrophobicContact CD1-CE2 4.23Å; I116-F118 HydrophobicContact CD1-CZ 3.96Å; I116-F118 HydrophobicContact CG1-CE2 4.26Å; I116-F118 HydrophobicContact CG1-CZ 4.45Å; I116-F118 HydrophobicContact CG2-CD1 4.34Å; I116-F118 HydrophobicContact CG2-CD2 3.98Å; I116-F118 HydrophobicContact CG2-CE1 4.06Å; I116-F118 HydrophobicContact CG2-CE2 3.71Å; I116-F118 HydrophobicContact CG2-CG 4.3Å; I116-F118 HydrophobicContact CG2-CZ 3.73Å; I116-F118 PolarHBondContact O-N 2.93Å
117V97Very high92.7Very high26 Ų2639.1 Ų39.116%0.15821%0.21CC..EExtended strand (participates in β ladder)trans-77.5113.2168.1-175.40000108.4V83 G84 G85 L167 D170 I171 L174 I180V83-V117 PolarHBondContact O-N 3.46Å; G84-V117 CarbonylContact C-O 3.51Å; G84-V117 WeakPolarHBondContact CA-O 3.25Å; G85-V117 PolarHBondContact N-O 3.16Å; V117-L167 HydrophobicContact CB-CD1 4.24Å; V117-L167 HydrophobicContact CG1-CD1 3.91Å; V117-L167 WeakPolarHBondContact O-CD1 3.2Å; V117-D170 HydrophobicContact CG1-CB 4.25Å; V117-I171 HydrophobicContact CB-CG1 3.96Å; V117-I171 HydrophobicContact CG1-CG1 4.34Å; V117-I171 HydrophobicContact CG2-CG1 4.04Å; V117-L174 HydrophobicContact CG2-CD1 3.58Å; V117-I180 HydrophobicContact CG2-CD1 3.84Å
118F97.8Very high92.9Very high17 Ų1743.9 Ų43.98%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-102.6139.1-178.3-80.9-74.5000113.1I14 G85 L87 L104 A107 I116 M147I14-F118 HydrophobicContact CD1-CE1 3.64Å; I14-F118 HydrophobicContact CD1-CZ 3.87Å; I14-F118 HydrophobicContact CG1-CE1 4.1Å; G85-F118 WeakPolarHBondContact O-CA 3.42Å; G85-F118 WeakPolarHBondContact O-CD1 3.34Å; L87-F118 HydrophobicContact CB-CD1 4.14Å; L104-F118 HydrophobicContact CD1-CD2 3.71Å; L104-F118 HydrophobicContact CD1-CE2 3.99Å; L104-F118 HydrophobicContact CD1-CG 4.3Å; A107-F118 HydrophobicContact CB-CE2 3.89Å; A107-F118 HydrophobicContact CB-CZ 3.59Å; I116-F118 HydrophobicContact CB-CD2 3.95Å; I116-F118 HydrophobicContact CB-CE2 3.53Å; I116-F118 HydrophobicContact CB-CZ 3.96Å; I116-F118 HydrophobicContact CD1-CE2 4.23Å; I116-F118 HydrophobicContact CD1-CZ 3.96Å; I116-F118 HydrophobicContact CG1-CE2 4.26Å; I116-F118 HydrophobicContact CG1-CZ 4.45Å; I116-F118 HydrophobicContact CG2-CD1 4.34Å; I116-F118 HydrophobicContact CG2-CD2 3.98Å; I116-F118 HydrophobicContact CG2-CE1 4.06Å; I116-F118 HydrophobicContact CG2-CE2 3.71Å; I116-F118 HydrophobicContact CG2-CG 4.3Å; I116-F118 HydrophobicContact CG2-CZ 3.73Å; I116-F118 PolarHBondContact O-N 2.93Å; F118-M147 HydrophobicContact CB-CG 4.03Å; F118-M147 HydrophobicContact CB-SD 3.39Å; F118-M147 WeakPolarHBondContact CB-SD 3.31Å; F118-M147 HydrophobicContact CG-SD 4.37Å
119L98.6Very high93.3Very high2 Ų245 Ų451%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-109.2124.3164.5179.567.9000108.7G85 L87 V121 R148 V150 A163 L167G85-L119 PolarHBondContact O-N 3.34Å; L87-L119 PolarHBondContact N-O 2.96Å; L119-V121 HydrophobicContact CD2-CG2 4.3Å; L119-V121 HydrophobicContact CG-CG2 4.2Å; L119-R148 HydrophobicContact CD1-CB 3.62Å; L119-V150 HydrophobicContact CD1-CG1 4.3Å; L119-V150 HydrophobicContact CD2-CG1 3.76Å; L119-V150 HydrophobicContact CG-CG1 4.09Å; L119-A163 HydrophobicContact CD2-CB 4Å; L119-A163 WeakPolarHBondContact CD2-O 3.46Å; L119-L167 HydrophobicContact CB-CB 4.45Å; L119-L167 HydrophobicContact CB-CD1 4.48Å; L119-L167 HydrophobicContact CD2-CB 4.36Å
120L98.8Very high93.6Very high0 Ų047.2 Ų47.20%026%0.255CS..EExtended strand (participates in β ladder)trans-78.7130.5172.7-174.767.9000109.3L87 F89 V100 A142 M147 R148 Y149 V150L87-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 3.92Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 4.02Å; F89-L120 HydrophobicContact CE1-CD2 4.04Å; F89-L120 HydrophobicContact CE1-CG 3.9Å; V100-L120 HydrophobicContact CG1-CD1 3.64Å; V100-L120 HydrophobicContact CG2-CD1 4.1Å; L120-A142 HydrophobicContact CB-CB 4.2Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; L120-M147 HydrophobicContact CB-CE 4.27Å; L120-R148 WeakPolarHBondContact CB-O 3.33Å; L120-R148 PolarHBondContact N-O 2.95Å; L120-Y149 HydrophobicContact CB-CD2 4.06Å; L120-Y149 HydrophobicContact CD2-CD2 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 4.33Å; L120-Y149 HydrophobicContact CG-CD2 3.81Å; L120-Y149 HydrophobicContact CG-CE2 4.3Å; L120-Y149 WeakPolarHBondContact O-CA 3.25Å; L120-Y149 WeakPolarHBondContact O-CD2 3.46Å; L120-V150 PolarHBondContact O-N 3.02Å
121V98.9Very high94.2Very high0 Ų046.7 Ų46.70%025%0.25CS..EExtended strand (participates in β ladder)trans-124.4115.8-176.3-177.80000110.7L24 L86 L87 L88 F89 L119 V150 T152L24-V121 HydrophobicContact CD2-CG1 4.33Å; L86-V121 HydrophobicContact CB-CG2 4.16Å; L86-V121 HydrophobicContact CD2-CG2 4.02Å; L86-V121 HydrophobicContact CG-CG2 4.5Å; L87-V121 PolarHBondContact O-N 3.18Å; L88-V121 WeakPolarHBondContact CA-O 3.37Å; L88-V121 HydrophobicContact CD1-CB 3.88Å; L88-V121 HydrophobicContact CD1-CG1 4.34Å; L88-V121 HydrophobicContact CD1-CG2 4.1Å; L88-V121 HydrophobicContact CG-CB 3.87Å; L88-V121 HydrophobicContact CG-CG1 4.03Å; F89-V121 WeakPolarHBondContact CD1-O 3.3Å; F89-V121 PolarHBondContact N-O 3.43Å; L119-V121 HydrophobicContact CD2-CG2 4.3Å; L119-V121 HydrophobicContact CG-CG2 4.2Å; V121-V150 VanDerWaalsContact CA-O 3.32Å; V121-V150 WeakPolarHBondContact CA-O 3.34Å; V121-V150 HydrophobicContact CG2-CG1 4.02Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.35Å
122G98.8Very high94.8Very high0 Ų051.3 Ų51.30%027%0.272CS..EExtended strand (participates in β ladder)trans-84.9107.5166.700000109.3V150 E151 T152G122-V150 PolarHBondContact N-O 2.97Å; G122-E151 CarbonylContact O-C 3.48Å; G122-E151 WeakPolarHBondContact O-CA 3.29Å; G122-T152 PolarHBondContact O-N 3.24Å
123H98.8Very high95.7Very high6 Ų644.5 Ų44.53%0.02824%0.24CC..EExtended strand (participates in β ladder)trans-94.5161.3-175.9-158.357.8000112.6V19 F89 I91 T152 A154V19-H123 PolarHBondContact O-CD2 3.19Å; F89-H123 WeakPolarHBondContact O-CB 3.3Å; F89-H123 PolarHBondContact O-N 2.99Å; I91-H123 WeakPolarHBondContact CG1-O 3.5Å; I91-H123 PolarHBondContact N-O 2.87Å; H123-T152 CarbonylContact C-O 3.42Å; H123-T152 WeakPolarHBondContact CA-O 3.29Å; H123-T152 PolarHBondContact ND1-O 3.49Å; H123-T152 PolarHBondContact ND1-OG1 3.44Å; H123-A154 PolarHBondContact CE1-N 3.12Å
124K98.4Very high96.7Very high47 Ų4741.9 Ų41.920%0.20422%0.224CC..  trans66.938.2-179.6-46.2-172.1-166.9164.40113.8T18 V19 D90 D126 L127 T152T18-K124 WeakPolarHBondContact O-CE 3.29Å; T18-K124 PolarHBondContact O-NZ 3.46Å; V19-K124 WeakPolarHBondContact O-CE 3.4Å; D90-K124 WeakPolarHBondContact OD2-CD 3.43Å; D90-K124 VanDerWaalsContact OD2-CE 3.28Å; D90-K124 WeakPolarHBondContact OD2-CE 3.28Å; D90-K124 IonicContact OD2-NZ 3.93Å; D90-K124 PolarHBondContact OD2-NZ 2.94Å; K124-D126 PolarHBondContact O-N 2.98Å; K124-D126 VanDerWaalsContact O-N 3.09Å; K124-L127 HydrophobicContact CB-CD1 4.17Å; K124-L127 HydrophobicContact CB-CG 4.45Å; K124-L127 HydrophobicContact CD-CD1 4.25Å; K124-L127 WeakPolarHBondContact O-CB 3.31Å; K124-L127 PolarHBondContact O-N 3.19Å; K124-T152 PolarHBondContact N-O 3.03Å
125C98.5Very high97.5Very high18 Ų1845.2 Ų45.212%0.12224%0.239CC..G310 helixtrans-64.2-10.8176.666.10000114.6I91 L127 E151 T152I91-C125 HydrophobicContact CD1-CB 4.31Å; C125-L127 PolarHBondContact O-N 2.94Å; C125-E151 HydrophobicContact CB-CB 4.06Å; C125-T152 PolarHBondContact N-O 3.15Å; C125-T152 PolarHBondContact SG-O 3.23Å
126D98.2Very high98.1Very high36 Ų3648.7 Ų48.719%0.19325%0.247CC..G310 helixtrans-66.4-17.8167.959.1-76.5000113.4K124 E128 S153 R155 D156K124-D126 PolarHBondContact O-N 2.98Å; K124-D126 VanDerWaalsContact O-N 3.09Å; D126-E128 VanDerWaalsContact C-N 3.32Å; D126-E128 PolarHBondContact O-N 2.86Å; D126-S153 VanDerWaalsContact CG-OG 3.26Å; D126-S153 VanDerWaalsContact OD1-CB 3.29Å; D126-S153 WeakPolarHBondContact OD1-CB 3.48Å; D126-S153 PolarHBondContact OD1-OG 2.95Å; D126-R155 WeakPolarHBondContact OD2-CD 3.02Å; D126-R155 IonicContact OD2-NH1 3.35Å; D126-R155 PolarHBondContact OD2-NH1 3.46Å; D126-D156 HydrophobicContact CB-CB 4.49Å; D126-D156 VanDerWaalsContact CB-OD2 3.25Å; D126-D156 WeakPolarHBondContact CB-OD2 3.23Å
127L97.6Very high98.3Very high39 Ų3950.1 Ų50.120%0.20425%0.253CS..G310 helixtrans-96.438.6178.9-58.2179.6000112.5T92 K124 C125 P129 Q130T92-L127 HydrophobicContact CG2-CB 3.55Å; T92-L127 HydrophobicContact CG2-CD1 4.04Å; T92-L127 HydrophobicContact CG2-CG 4.45Å; K124-L127 HydrophobicContact CB-CD1 4.17Å; K124-L127 HydrophobicContact CB-CG 4.45Å; K124-L127 HydrophobicContact CD-CD1 4.25Å; K124-L127 WeakPolarHBondContact O-CB 3.31Å; K124-L127 PolarHBondContact O-N 3.19Å; C125-L127 PolarHBondContact O-N 2.94Å; L127-P129 VanDerWaalsContact C-N 3.31Å; L127-P129 VanDerWaalsContact O-N 3.16Å; L127-Q130 HydrophobicContact CB-CB 4.49Å; L127-Q130 WeakPolarHBondContact O-CA 3.32Å; L127-Q130 PolarHBondContact O-N 2.71Å
128E97.4Very high98.4Very high99 Ų9948.9 Ų48.946%0.46325%0.245SC..G310 helixtrans-47.4-42.5-178.5-169.461-152.300114.4D126 Q130 R131D126-E128 VanDerWaalsContact C-N 3.32Å; D126-E128 PolarHBondContact O-N 2.86Å; E128-Q130 PolarHBondContact O-N 3.04Å; E128-R131 VanDerWaalsContact CD-NE 3.26Å; E128-R131 VanDerWaalsContact O-CB 3.24Å; E128-R131 WeakPolarHBondContact O-CB 3.31Å; E128-R131 PolarHBondContact O-N 3.49Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 IonicContact OE1-CZ 3.29Å; E128-R131 IonicContact OE1-NE 3.67Å; E128-R131 PolarHBondContact OE1-NE 3.26Å; E128-R131 IonicContact OE1-NH2 3.68Å; E128-R131 IonicContact OE2-CZ 3.29Å; E128-R131 VanDerWaalsContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.59Å; E128-R131 PolarHBondContact OE2-NE 3.4Å; E128-R131 IonicContact OE2-NH2 2.7Å; E128-R131 PolarHBondContact OE2-NH2 3.36Å
129P98.2Very high98.4Very high131 Ų13152.3 Ų52.385%0.85126%0.262SS*.G310 helixtrans-63.7-15.7177.9-22.735.5000114.9L127L127-P129 VanDerWaalsContact C-N 3.31Å; L127-P129 VanDerWaalsContact O-N 3.16Å
130Q98.3Very high98.4Very high117 Ų11759.9 Ų59.955%0.54730%0.295SS..G310 helixtrans-1057.6-179.9-58.1177.530.800112.3T92 L127 E128 Q132T92-Q130 WeakPolarHBondContact CA-O 3.32Å; T92-Q130 WeakPolarHBondContact CB-O 3.34Å; T92-Q130 HydrophobicContact CG2-CB 3.75Å; L127-Q130 HydrophobicContact CB-CB 4.49Å; L127-Q130 WeakPolarHBondContact O-CA 3.32Å; L127-Q130 PolarHBondContact O-N 2.71Å; E128-Q130 PolarHBondContact O-N 3.04Å; Q130-Q132 PolarHBondContact O-N 3.42Å
131R98.6Very high98.4Very high58 Ų5861.7 Ų61.722%0.21930%0.304CS..  trans-57.2130-177.6179.8-179.2-71.9-885.3111.7I91 E128 V133 E151I91-R131 HydrophobicContact CD1-CB 4.34Å; I91-R131 HydrophobicContact CD1-CG 4.37Å; E128-R131 VanDerWaalsContact CD-NE 3.26Å; E128-R131 VanDerWaalsContact O-CB 3.24Å; E128-R131 WeakPolarHBondContact O-CB 3.31Å; E128-R131 PolarHBondContact O-N 3.49Å; E128-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 IonicContact OE1-CZ 3.29Å; E128-R131 IonicContact OE1-NE 3.67Å; E128-R131 PolarHBondContact OE1-NE 3.26Å; E128-R131 IonicContact OE1-NH2 3.68Å; E128-R131 IonicContact OE2-CZ 3.29Å; E128-R131 VanDerWaalsContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.59Å; E128-R131 PolarHBondContact OE2-NE 3.4Å; E128-R131 IonicContact OE2-NH2 2.7Å; E128-R131 PolarHBondContact OE2-NH2 3.36Å; R131-V133 VanDerWaalsContact CD-O 3.26Å; R131-V133 WeakPolarHBondContact CD-O 3.5Å; R131-V133 WeakPolarHBondContact CG-O 3.34Å; R131-V133 PolarHBondContact NH1-O 3.18Å; R131-E151 IonicContact CZ-OE1 3.03Å; R131-E151 IonicContact CZ-OE2 3.38Å; R131-E151 IonicContact NH1-OE1 3.21Å; R131-E151 PolarHBondContact NH1-OE1 3.32Å; R131-E151 IonicContact NH1-OE2 2.66Å; R131-E151 VanDerWaalsContact NH2-CD 3.32Å; R131-E151 IonicContact NH2-OE1 3.16Å; R131-E151 PolarHBondContact NH2-OE1 3.35Å; R131-E151 VanDerWaalsContact NH2-OE1 3.16Å; R131-E151 IonicContact NH2-OE2 2.74Å; R131-E151 PolarHBondContact NH2-OE2 3.01Å
132Q98.7Very high98.3Very high105 Ų10561.8 Ų61.849%0.49131%0.305SS..  trans-116.6-10174.3-60.2-176.65.500112.9I91 T92 R94 Q130I91-Q132 PolarHBondContact O-N 3.45Å; T92-Q132 PolarHBondContact O-NE2 3.15Å; T92-Q132 PolarHBondContact O-OE1 3.22Å; R94-Q132 HydrophobicContact CB-CB 4.23Å; R94-Q132 PolarHBondContact NH1-O 2.74Å; Q130-Q132 PolarHBondContact O-N 3.42Å
133V98.7Very high98.3Very high0 Ų064.4 Ų64.40%033%0.332CS..SBendtrans-126.7118179.9-174.70000108.4F89 I91 F97 R131 E137 A138F89-V133 HydrophobicContact CE2-CB 4.02Å; F89-V133 HydrophobicContact CE2-CG1 3.76Å; F89-V133 HydrophobicContact CE2-CG2 4.28Å; F89-V133 HydrophobicContact CZ-CG1 4.18Å; I91-V133 PolarHBondContact O-N 3.05Å; F97-V133 HydrophobicContact CB-CG1 4.33Å; F97-V133 HydrophobicContact CB-CG2 3.66Å; F97-V133 HydrophobicContact CD1-CG1 3.82Å; F97-V133 HydrophobicContact CD1-CG2 4.16Å; F97-V133 HydrophobicContact CD2-CG1 3.84Å; F97-V133 HydrophobicContact CE1-CG1 3.99Å; F97-V133 HydrophobicContact CE2-CG1 4.01Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.94Å; F97-V133 HydrophobicContact CZ-CG1 4.08Å; R131-V133 VanDerWaalsContact CD-O 3.26Å; R131-V133 WeakPolarHBondContact CD-O 3.5Å; R131-V133 WeakPolarHBondContact CG-O 3.34Å; R131-V133 PolarHBondContact NH1-O 3.18Å; V133-E137 WeakPolarHBondContact CA-OE1 3.42Å; V133-E137 HydrophobicContact CG1-CG 3.72Å; V133-A138 HydrophobicContact CG1-CB 4.37Å
134S98.5Very high98.2Very high47 Ų4768.9 Ų68.933%0.32936%0.36SS..  trans-70.6151.4177.162.60000111.5Q136 E137 A138S134-Q136 VanDerWaalsContact C-N 3.26Å; S134-Q136 PolarHBondContact O-N 2.75Å; S134-E137 PolarHBondContact N-OE1 3.13Å; S134-E137 WeakPolarHBondContact O-CG 3.49Å; S134-E137 PolarHBondContact O-N 3.43Å; S134-E137 WeakPolarHBondContact OG-CB 3.19Å; S134-E137 VanDerWaalsContact OG-CG 3.3Å; S134-E137 WeakPolarHBondContact OG-CG 3.45Å; S134-E137 PolarHBondContact OG-N 2.86Å; S134-E137 PolarHBondContact OG-OE1 2.81Å; S134-E137 VanDerWaalsContact OG-OE1 3.09Å; S134-A138 PolarHBondContact O-N 3.36Å
135Q98.1Very high98.1Very high100 Ų10069 Ų6947%0.46736%0.359SS..Hα-helixtrans-58.2-42.3172.6174.91698.900111.1E137 A138 E139 Y149Q135-E137 PolarHBondContact O-N 2.78Å; Q135-A138 PolarHBondContact O-N 2.9Å; Q135-E139 HydrophobicContact CG-CG 4.21Å; Q135-E139 VanDerWaalsContact CG-OE1 3.24Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.42Å; Q135-E139 PolarHBondContact NE2-OE1 2.86Å; Q135-E139 WeakPolarHBondContact O-CB 3.21Å; Q135-E139 WeakPolarHBondContact O-CG 3.49Å; Q135-E139 PolarHBondContact O-N 2.83Å; Q135-Y149 HydrophobicContact CG-CE1 4.11Å
136Q98.4Very high97.9Very high156 Ų15671.6 Ų71.673%0.72939%0.388SS*.Hα-helixtrans-60.9-42.1-177.7-170.7-178.322.400113.2S134 K140S134-Q136 VanDerWaalsContact C-N 3.26Å; S134-Q136 PolarHBondContact O-N 2.75Å; Q136-K140 WeakPolarHBondContact O-CB 3.33Å; Q136-K140 PolarHBondContact O-N 2.93Å
137E98.3Very high97.8Very high48 Ų4870.7 Ų70.722%0.22438%0.383CS..Hα-helixtrans-72-34.1179.176.8-172.8115.400112.1R94 F97 V133 S134 Q135 K140 L141R94-E137 IonicContact CZ-OE1 2.69Å; R94-E137 IonicContact CZ-OE2 3.52Å; R94-E137 VanDerWaalsContact NH1-CD 3.25Å; R94-E137 IonicContact NH1-OE1 3.43Å; R94-E137 PolarHBondContact NH1-OE1 2.71Å; R94-E137 IonicContact NH1-OE2 2.81Å; R94-E137 PolarHBondContact NH1-OE2 2.94Å; R94-E137 IonicContact NH2-OE2 2.73Å; R94-E137 PolarHBondContact NH2-OE2 2.86Å; F97-E137 HydrophobicContact CE1-CG 3.99Å; F97-E137 HydrophobicContact CZ-CG 4.04Å; V133-E137 WeakPolarHBondContact CA-OE1 3.42Å; V133-E137 HydrophobicContact CG1-CG 3.72Å; S134-E137 PolarHBondContact N-OE1 3.13Å; S134-E137 WeakPolarHBondContact O-CG 3.49Å; S134-E137 PolarHBondContact O-N 3.43Å; S134-E137 WeakPolarHBondContact OG-CB 3.19Å; S134-E137 VanDerWaalsContact OG-CG 3.3Å; S134-E137 WeakPolarHBondContact OG-CG 3.45Å; S134-E137 PolarHBondContact OG-N 2.86Å; S134-E137 PolarHBondContact OG-OE1 2.81Å; S134-E137 VanDerWaalsContact OG-OE1 3.09Å; Q135-E137 PolarHBondContact O-N 2.78Å; E137-K140 PolarHBondContact O-N 3.24Å; E137-L141 PolarHBondContact O-N 3.27Å
138A98.5Very high97.8Very high0 Ų073.2 Ų73.20%039%0.39CS..Hα-helixtrans-68.7-41.3176.100000111.8F89 F97 V133 S134 Q135 L141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.3Å; F89-A138 HydrophobicContact CZ-CB 3.73Å; F97-A138 HydrophobicContact CE2-CB 3.94Å; F97-A138 HydrophobicContact CZ-CB 4.38Å; V133-A138 HydrophobicContact CG1-CB 4.37Å; S134-A138 PolarHBondContact O-N 3.36Å; Q135-A138 PolarHBondContact O-N 2.9Å; A138-L141 PolarHBondContact O-N 3.46Å; A138-A142 WeakPolarHBondContact O-CB 2.8Å; A138-A142 PolarHBondContact O-N 3.35Å; A138-Y149 HydrophobicContact CB-CD1 4.26Å; A138-Y149 HydrophobicContact CB-CD2 4.16Å; A138-Y149 HydrophobicContact CB-CE1 3.73Å; A138-Y149 HydrophobicContact CB-CE2 3.64Å; A138-Y149 HydrophobicContact CB-CG 4.43Å
139E98.4Very high97.9Very high90 Ų9070.1 Ų70.142%0.42137%0.374SS..Hα-helixtrans-60.9-43.4172.3-73.8173.617500111.6Q135 L141 A142 G143 Y149Q135-E139 HydrophobicContact CG-CG 4.21Å; Q135-E139 VanDerWaalsContact CG-OE1 3.24Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.42Å; Q135-E139 PolarHBondContact NE2-OE1 2.86Å; Q135-E139 WeakPolarHBondContact O-CB 3.21Å; Q135-E139 WeakPolarHBondContact O-CG 3.49Å; Q135-E139 PolarHBondContact O-N 2.83Å; E139-L141 VanDerWaalsContact C-N 3.35Å; E139-L141 PolarHBondContact O-N 3.25Å; E139-A142 PolarHBondContact O-N 2.86Å; E139-G143 PolarHBondContact O-N 3.26Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.32Å; E139-Y149 HydrophobicContact CG-CG 4.34Å
140K98.5Very high97.9Very high160 Ų16064.2 Ų64.270%0.69634%0.336SS*.Hα-helixtrans-61.6-42.7175.9-174.8179.8178.9-177.90112Q136 E137 T144Q136-K140 WeakPolarHBondContact O-CB 3.33Å; Q136-K140 PolarHBondContact O-N 2.93Å; E137-K140 PolarHBondContact O-N 3.24Å; K140-T144 PolarHBondContact O-N 3.28Å; K140-T144 PolarHBondContact O-OG1 2.88Å
141L98.2Very high97.9Very high39 Ų3959.8 Ų59.820%0.20432%0.315CS..Hα-helixtrans-63.9-46.4176.5-17171.8000111F97 V100 E137 A138 E139 G143 T144 Y145F97-L141 HydrophobicContact CD2-CD2 4.18Å; F97-L141 HydrophobicContact CE1-CD2 4.4Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; F97-L141 HydrophobicContact CE2-CD2 3.43Å; F97-L141 VanDerWaalsContact CE2-CD2 3.43Å; F97-L141 HydrophobicContact CE2-CG 4.48Å; F97-L141 HydrophobicContact CZ-CB 3.95Å; F97-L141 HydrophobicContact CZ-CD2 3.57Å; F97-L141 HydrophobicContact CZ-CG 4.34Å; V100-L141 HydrophobicContact CB-CD2 4.14Å; V100-L141 HydrophobicContact CG1-CD2 3.82Å; E137-L141 PolarHBondContact O-N 3.27Å; A138-L141 PolarHBondContact O-N 3.46Å; E139-L141 VanDerWaalsContact C-N 3.35Å; E139-L141 PolarHBondContact O-N 3.25Å; L141-G143 PolarHBondContact O-N 2.93Å; L141-T144 WeakPolarHBondContact O-CB 3.07Å; L141-T144 PolarHBondContact O-N 3.47Å; L141-Y145 HydrophobicContact CD1-CD2 4.27Å; L141-Y145 HydrophobicContact CD1-CE2 3.59Å; L141-Y145 HydrophobicContact CG-CD2 4.13Å; L141-Y145 HydrophobicContact CG-CE2 3.86Å; L141-Y145 VanDerWaalsContact O-CD2 3.29Å; L141-Y145 WeakPolarHBondContact O-CD2 3.48Å; L141-Y145 PolarHBondContact O-N 3.06Å
142A98.1Very high97.9Very high2 Ų257 Ų572%0.01731%0.305CS..Hα-helixtrans-58.4-47.6177.500000111.4L120 A138 E139 T144 Y145 G146 M147L120-A142 HydrophobicContact CB-CB 4.2Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; A138-A142 WeakPolarHBondContact O-CB 2.8Å; A138-A142 PolarHBondContact O-N 3.35Å; E139-A142 PolarHBondContact O-N 2.86Å; A142-T144 VanDerWaalsContact C-N 3.3Å; A142-T144 PolarHBondContact O-N 2.95Å; A142-Y145 CarbonylContact O-C 3.32Å; A142-Y145 PolarHBondContact O-N 3.01Å; A142-Y145 VanDerWaalsContact O-N 3.09Å; A142-G146 PolarHBondContact O-N 2.56Å; A142-M147 CarbonylContact C-O 3.48Å; A142-M147 VanDerWaalsContact C-O 3.32Å; A142-M147 HydrophobicContact CB-CB 4.35Å; A142-M147 WeakPolarHBondContact CB-O 3.29Å; A142-M147 PolarHBondContact O-N 2.96Å
143G97.9Very high97.9Very high54 Ų5452 Ų5256%0.55728%0.281SS*.Hα-helixtrans-59.7-37176.200000113.4E139 L141 Y145 G146E139-G143 PolarHBondContact O-N 3.26Å; L141-G143 PolarHBondContact O-N 2.93Å; G143-Y145 VanDerWaalsContact C-N 3.25Å; G143-Y145 PolarHBondContact O-N 3.35Å; G143-G146 PolarHBondContact O-N 2.62Å
144T97.1Very high97.9Very high101 Ų10152 Ų5262%0.6228%0.282SS*.Hα-helixtrans-62.7-33.1176.5-58.50000112.2K140 L141 A142K140-T144 PolarHBondContact O-N 3.28Å; K140-T144 PolarHBondContact O-OG1 2.88Å; L141-T144 WeakPolarHBondContact O-CB 3.07Å; L141-T144 PolarHBondContact O-N 3.47Å; A142-T144 VanDerWaalsContact C-N 3.3Å; A142-T144 PolarHBondContact O-N 2.95Å
145Y95.8Very high97.8Very high50 Ų5055.3 Ų55.320%0.19629%0.287CS..THydrogen-bonded Turntrans-97.22.5178.8-66.8-59.2000114.4H101 L104 R108 L141 A142 G143 M147H101-Y145 AromaticContact ND1-CZ 3.7Å; H101-Y145 PolarHBondContact ND1-OH 2.84Å; L104-Y145 HydrophobicContact CD2-CD1 3.43Å; L104-Y145 VanDerWaalsContact CD2-CD1 3.43Å; L104-Y145 HydrophobicContact CD2-CD2 3.77Å; L104-Y145 HydrophobicContact CD2-CE1 3.89Å; L104-Y145 HydrophobicContact CD2-CE2 4.17Å; L104-Y145 HydrophobicContact CD2-CG 3.38Å; R108-Y145 PolarHBondContact NH2-O 2.92Å; L141-Y145 HydrophobicContact CD1-CD2 4.27Å; L141-Y145 HydrophobicContact CD1-CE2 3.59Å; L141-Y145 HydrophobicContact CG-CD2 4.13Å; L141-Y145 HydrophobicContact CG-CE2 3.86Å; L141-Y145 VanDerWaalsContact O-CD2 3.29Å; L141-Y145 WeakPolarHBondContact O-CD2 3.48Å; L141-Y145 PolarHBondContact O-N 3.06Å; A142-Y145 CarbonylContact O-C 3.32Å; A142-Y145 PolarHBondContact O-N 3.01Å; A142-Y145 VanDerWaalsContact O-N 3.09Å; G143-Y145 VanDerWaalsContact C-N 3.25Å; G143-Y145 PolarHBondContact O-N 3.35Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.88Å; Y145-M147 HydrophobicContact CG-CE 4.14Å
146G95.2Very high97.8Very high71 Ų7154.7 Ų54.773%0.73229%0.287SS*.THydrogen-bonded Turntrans68.427-17600000113.7A142 G143A142-G146 PolarHBondContact O-N 2.56Å; G143-G146 PolarHBondContact O-N 2.62Å
147M96.3Very high97.8Very high18 Ų1849.9 Ų49.99%0.08927%0.273CS..  trans-101.8153.3176.7-59.6-174.7-69.100110.4L87 L104 F118 L120 A142 Y145L87-M147 HydrophobicContact CD2-CE 4.42Å; L104-M147 HydrophobicContact CD1-SD 4.28Å; L104-M147 HydrophobicContact CD2-CE 4.08Å; L104-M147 HydrophobicContact CD2-SD 4.49Å; F118-M147 HydrophobicContact CB-CG 4.03Å; F118-M147 HydrophobicContact CB-SD 3.39Å; F118-M147 WeakPolarHBondContact CB-SD 3.31Å; F118-M147 HydrophobicContact CG-SD 4.37Å; L120-M147 HydrophobicContact CB-CE 4.27Å; A142-M147 CarbonylContact C-O 3.48Å; A142-M147 VanDerWaalsContact C-O 3.32Å; A142-M147 HydrophobicContact CB-CB 4.35Å; A142-M147 WeakPolarHBondContact CB-O 3.29Å; A142-M147 PolarHBondContact O-N 2.96Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.88Å; Y145-M147 HydrophobicContact CG-CE 4.14Å
148R96.9Very high97.8Very high91 Ų9150.8 Ų50.834%0.34328%0.279SS..EExtended strand (participates in β ladder)trans-79.7161.8162.8-66.6-165.4-67.4157.1-3.6110.5L119 L120 E166 D170L119-R148 HydrophobicContact CD1-CB 3.62Å; L120-R148 WeakPolarHBondContact CB-O 3.33Å; L120-R148 PolarHBondContact N-O 2.95Å; R148-E166 IonicContact NH1-OE1 3.78Å; R148-E166 IonicContact NH1-OE2 3.87Å; R148-E166 VanDerWaalsContact NH2-CB 3.3Å; R148-E166 PolarHBondContact NH2-O 2.81Å; R148-D170 IonicContact CZ-OD1 3.79Å; R148-D170 VanDerWaalsContact CZ-OD1 3.29Å; R148-D170 IonicContact CZ-OD2 3.21Å; R148-D170 IonicContact NE-OD1 2.69Å; R148-D170 IonicContact NE-OD2 3.7Å; R148-D170 PolarHBondContact NE-OD2 2.63Å; R148-D170 IonicContact NH2-OD1 3.85Å; R148-D170 PolarHBondContact NH2-OD1 2.78Å; R148-D170 IonicContact NH2-OD2 2.81Å; R148-D170 PolarHBondContact NH2-OD2 3.42Å
149Y98.6Very high97.8Very high34 Ų3453.8 Ų53.813%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-125.6138.4177178.4-117.6000111.3F89 L120 Q135 A138 E139 E151F89-Y149 AromaticContact CE1-CE2 3.67Å; F89-Y149 HydrophobicContact CE1-CE2 3.67Å; F89-Y149 AromaticContact CZ-CE2 3.7Å; F89-Y149 HydrophobicContact CZ-CE2 3.7Å; F89-Y149 WeakPolarHBondContact CZ-OH 3.45Å; L120-Y149 HydrophobicContact CB-CD2 4.06Å; L120-Y149 HydrophobicContact CD2-CD2 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 4.33Å; L120-Y149 HydrophobicContact CG-CD2 3.81Å; L120-Y149 HydrophobicContact CG-CE2 4.3Å; L120-Y149 WeakPolarHBondContact O-CA 3.25Å; L120-Y149 WeakPolarHBondContact O-CD2 3.46Å; Q135-Y149 HydrophobicContact CG-CE1 4.11Å; A138-Y149 HydrophobicContact CB-CD1 4.26Å; A138-Y149 HydrophobicContact CB-CD2 4.16Å; A138-Y149 HydrophobicContact CB-CE1 3.73Å; A138-Y149 HydrophobicContact CB-CE2 3.64Å; A138-Y149 HydrophobicContact CB-CG 4.43Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.32Å; E139-Y149 HydrophobicContact CG-CG 4.34Å; Y149-E151 HydrophobicContact CE1-CG 3.71Å; Y149-E151 WeakPolarHBondContact OH-CG 3.45Å; Y149-E151 PolarHBondContact OH-OE1 2.95Å; Y149-E151 VanDerWaalsContact OH-OE1 3.07Å
150V98.6Very high97.8Very high7 Ų749.8 Ų49.84%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-141.4140.717267.10000110.7L119 L120 V121 G122 T152 N159 K162 A163L119-V150 HydrophobicContact CD1-CG1 4.3Å; L119-V150 HydrophobicContact CD2-CG1 3.76Å; L119-V150 HydrophobicContact CG-CG1 4.09Å; L120-V150 PolarHBondContact O-N 3.02Å; V121-V150 VanDerWaalsContact CA-O 3.32Å; V121-V150 WeakPolarHBondContact CA-O 3.34Å; V121-V150 HydrophobicContact CG2-CG1 4.02Å; G122-V150 PolarHBondContact N-O 2.97Å; V150-T152 HydrophobicContact CG1-CG2 4.19Å; V150-T152 HydrophobicContact CG2-CG2 4.39Å; V150-N159 HydrophobicContact CG2-CB 3.92Å; V150-K162 HydrophobicContact CG2-CD 4.47Å; V150-A163 HydrophobicContact CG1-CB 3.78Å
151E98.8Very high97.7Very high24 Ų2446 Ų4611%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-95.2136.6169.4-70.9-167.3174.100111.5G122 C125 R131 Y149 N159G122-E151 CarbonylContact O-C 3.48Å; G122-E151 WeakPolarHBondContact O-CA 3.29Å; C125-E151 HydrophobicContact CB-CB 4.06Å; R131-E151 IonicContact CZ-OE1 3.03Å; R131-E151 IonicContact CZ-OE2 3.38Å; R131-E151 IonicContact NH1-OE1 3.21Å; R131-E151 PolarHBondContact NH1-OE1 3.32Å; R131-E151 IonicContact NH1-OE2 2.66Å; R131-E151 VanDerWaalsContact NH2-CD 3.32Å; R131-E151 IonicContact NH2-OE1 3.16Å; R131-E151 PolarHBondContact NH2-OE1 3.35Å; R131-E151 VanDerWaalsContact NH2-OE1 3.16Å; R131-E151 IonicContact NH2-OE2 2.74Å; R131-E151 PolarHBondContact NH2-OE2 3.01Å; Y149-E151 HydrophobicContact CE1-CG 3.71Å; Y149-E151 WeakPolarHBondContact OH-CG 3.45Å; Y149-E151 PolarHBondContact OH-OE1 2.95Å; Y149-E151 VanDerWaalsContact OH-OE1 3.07Å; E151-N159 WeakPolarHBondContact O-CB 3.23Å; E151-N159 PolarHBondContact O-ND2 2.86Å
152T98.8Very high97.7Very high0 Ų048.8 Ų48.80%027%0.272CS..EExtended strand (participates in β ladder)trans-134.6151.2-174.959.30000112.7L24 V121 G122 H123 K124 C125 V150 I158 N159 A163L24-T152 HydrophobicContact CD1-CG2 4.47Å; V121-T152 HydrophobicContact CG1-CG2 3.87Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.35Å; G122-T152 PolarHBondContact O-N 3.24Å; H123-T152 CarbonylContact C-O 3.42Å; H123-T152 WeakPolarHBondContact CA-O 3.29Å; H123-T152 PolarHBondContact ND1-O 3.49Å; H123-T152 PolarHBondContact ND1-OG1 3.44Å; K124-T152 PolarHBondContact N-O 3.03Å; C125-T152 PolarHBondContact N-O 3.15Å; C125-T152 PolarHBondContact SG-O 3.23Å; V150-T152 HydrophobicContact CG1-CG2 4.19Å; V150-T152 HydrophobicContact CG2-CG2 4.39Å; T152-I158 VanDerWaalsContact CA-O 3.27Å; T152-I158 WeakPolarHBondContact CA-O 3.21Å; T152-N159 HydrophobicContact CG2-CB 4.03Å; T152-A163 HydrophobicContact CG2-CB 3.98Å
153S98.6Very high97.7Very high0 Ų048.7 Ų48.70%027%0.271CS..BIsolated β-bridgetrans-128.2118.3166.1175.90000109.6D126 R155 D156 A157 I158 V160D126-S153 VanDerWaalsContact CG-OG 3.26Å; D126-S153 VanDerWaalsContact OD1-CB 3.29Å; D126-S153 WeakPolarHBondContact OD1-CB 3.48Å; D126-S153 PolarHBondContact OD1-OG 2.95Å; S153-R155 VanDerWaalsContact C-N 3.27Å; S153-R155 PolarHBondContact OG-N 3.23Å; S153-D156 PolarHBondContact OG-N 2.8Å; S153-A157 CarbonylContact O-C 3.53Å; S153-A157 WeakPolarHBondContact O-CA 3.43Å; S153-A157 PolarHBondContact O-N 2.91Å; S153-I158 PolarHBondContact N-O 2.94Å; S153-I158 PolarHBondContact O-N 3.05Å; S153-V160 VanDerWaalsContact O-CG2 3.29Å; S153-V160 WeakPolarHBondContact O-CG2 3.44Å
154A97.8Very high97.7Very high1 Ų146.1 Ų46.11%0.00825%0.245CC..THydrogen-bonded Turntrans-70.4-30170.800000111.2C23 R27 F33 H123C23-A154 HydrophobicContact CB-CB 3.89Å; R27-A154 HydrophobicContact CB-CB 4.12Å; R27-A154 PolarHBondContact NE-O 2.78Å; R27-A154 PolarHBondContact NH2-O 3.44Å; F33-A154 HydrophobicContact CD2-CB 3.92Å; F33-A154 HydrophobicContact CE2-CB 4.17Å; H123-A154 PolarHBondContact CE1-N 3.12Å
155R97.1Very high97.7Very high116 Ų11642 Ų4244%0.43822%0.219SC..THydrogen-bonded Turntrans-65.5-55.4179.5-176.2-165.9175.6-175.2-5.6110.5R27 F33 D126 S153R27-R155 PolarHBondContact NH2-O 2.91Å; F33-R155 HydrophobicContact CD1-CB 4.48Å; F33-R155 HydrophobicContact CD1-CG 4.35Å; F33-R155 HydrophobicContact CD2-CB 4.37Å; F33-R155 HydrophobicContact CE1-CB 4.15Å; F33-R155 HydrophobicContact CE1-CG 4.01Å; F33-R155 HydrophobicContact CE2-CB 4.04Å; F33-R155 HydrophobicContact CZ-CB 3.92Å; F33-R155 HydrophobicContact CZ-CG 4.22Å; D126-R155 WeakPolarHBondContact OD2-CD 3.02Å; D126-R155 IonicContact OD2-NH1 3.35Å; D126-R155 PolarHBondContact OD2-NH1 3.46Å; S153-R155 VanDerWaalsContact C-N 3.27Å; S153-R155 PolarHBondContact OG-N 3.23Å
156D97.6Very high97.8Very high87 Ų8741.2 Ų41.247%0.46522%0.218SC..THydrogen-bonded Turntrans-95.36-173.5-64.8-4.7000112.7D126 S153 I158D126-D156 HydrophobicContact CB-CB 4.49Å; D126-D156 VanDerWaalsContact CB-OD2 3.25Å; D126-D156 WeakPolarHBondContact CB-OD2 3.23Å; S153-D156 PolarHBondContact OG-N 2.8Å; D156-I158 HydrophobicContact CB-CD1 3.9Å; D156-I158 HydrophobicContact CB-CG1 3.9Å; D156-I158 PolarHBondContact O-N 3.46Å
157A97.8Very high97.9Very high54 Ų5437.9 Ų37.945%0.44618%0.183SC..THydrogen-bonded Turntrans57.425.2-177.800000114.5R27 S153 N159R27-A157 HydrophobicContact CG-CB 4.46Å; S153-A157 CarbonylContact O-C 3.53Å; S153-A157 WeakPolarHBondContact O-CA 3.43Å; S153-A157 PolarHBondContact O-N 2.91Å; A157-N159 PolarHBondContact O-N 2.84Å
158I98.6Very high98Very high68 Ų6837 Ų3735%0.34918%0.179SC..BIsolated β-bridgetrans-72.3124.2179.4-59170.2000109.4T152 S153 D156 V160T152-I158 VanDerWaalsContact CA-O 3.27Å; T152-I158 WeakPolarHBondContact CA-O 3.21Å; S153-I158 PolarHBondContact N-O 2.94Å; S153-I158 PolarHBondContact O-N 3.05Å; D156-I158 HydrophobicContact CB-CD1 3.9Å; D156-I158 HydrophobicContact CB-CG1 3.9Å; D156-I158 PolarHBondContact O-N 3.46Å; I158-V160 PolarHBondContact O-N 2.84Å
159N98.6Very high98Very high62 Ų6238 Ų3833%0.33218%0.183SC..THydrogen-bonded Turntrans53.813.4175.6-66.2-35.6000116.3V150 E151 T152 A157 K162 A163V150-N159 HydrophobicContact CG2-CB 3.92Å; E151-N159 WeakPolarHBondContact O-CB 3.23Å; E151-N159 PolarHBondContact O-ND2 2.86Å; T152-N159 HydrophobicContact CG2-CB 4.03Å; A157-N159 PolarHBondContact O-N 2.84Å; N159-K162 HydrophobicContact CB-CB 4.22Å; N159-K162 HydrophobicContact CB-CD 4.44Å; N159-K162 WeakPolarHBondContact O-CB 3.41Å; N159-K162 PolarHBondContact O-N 2.96Å; N159-A163 PolarHBondContact O-N 2.79Å
160V98.5Very high97.9Very high6 Ų638.9 Ų38.94%0.03619%0.189CC..Hα-helixtrans-61.6-53.5-179.4176.70000110.4L24 R27 F28 S153 I158 K162 A163 F164L24-V160 HydrophobicContact CD1-CB 4.19Å; L24-V160 HydrophobicContact CD1-CG1 3.84Å; L24-V160 HydrophobicContact CD1-CG2 3.78Å; R27-V160 HydrophobicContact CB-CG1 4.32Å; R27-V160 HydrophobicContact CG-CB 4.34Å; R27-V160 HydrophobicContact CG-CG1 4.03Å; R27-V160 HydrophobicContact CG-CG2 3.97Å; F28-V160 HydrophobicContact CB-CG1 3.7Å; F28-V160 HydrophobicContact CD2-CG1 4.44Å; S153-V160 VanDerWaalsContact O-CG2 3.29Å; S153-V160 WeakPolarHBondContact O-CG2 3.44Å; I158-V160 PolarHBondContact O-N 2.84Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 3.37Å; V160-A163 PolarHBondContact O-N 2.8Å; V160-F164 WeakPolarHBondContact O-CD2 3.12Å
161E97.7Very high97.9Very high82 Ų8238.5 Ų38.538%0.38319%0.187SC..Hα-helixtrans-60.5-40.5176.6-163.771.7-177.700111.8F28 R48 A163 F164 T165F28-E161 WeakPolarHBondContact CD2-OE2 3.46Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.48Å; R48-E161 IonicContact CZ-OE1 3.89Å; R48-E161 IonicContact CZ-OE2 3.33Å; R48-E161 IonicContact NH1-OE1 3.96Å; R48-E161 IonicContact NH1-OE2 3.13Å; R48-E161 PolarHBondContact NH1-OE2 2.86Å; R48-E161 IonicContact NH2-OE1 3.7Å; R48-E161 PolarHBondContact NH2-OE1 2.92Å; R48-E161 IonicContact NH2-OE2 2.71Å; R48-E161 PolarHBondContact NH2-OE2 2.89Å; E161-A163 PolarHBondContact O-N 2.88Å; E161-F164 PolarHBondContact O-N 2.96Å; E161-T165 VanDerWaalsContact O-CB 3.31Å; E161-T165 WeakPolarHBondContact O-CB 3.28Å; E161-T165 PolarHBondContact O-N 2.76Å; E161-T165 PolarHBondContact O-OG1 3.41Å
162K97.6Very high97.8Very high96 Ų9637.9 Ų37.942%0.41718%0.184SC..Hα-helixtrans-59.2-48.8-179.1-177.6-178175.4-176.40110.8V150 N159 V160 F164 T165 E166V150-K162 HydrophobicContact CG2-CD 4.47Å; N159-K162 HydrophobicContact CB-CB 4.22Å; N159-K162 HydrophobicContact CB-CD 4.44Å; N159-K162 WeakPolarHBondContact O-CB 3.41Å; N159-K162 PolarHBondContact O-N 2.96Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 3.37Å; K162-F164 PolarHBondContact O-N 2.92Å; K162-T165 PolarHBondContact O-N 3.01Å; K162-E166 VanDerWaalsContact CE-CD 3.41Å; K162-E166 WeakPolarHBondContact CE-OE1 3.33Å; K162-E166 HydrophobicContact CG-CG 4.06Å; K162-E166 IonicContact NZ-OE1 2.96Å; K162-E166 WeakPolarHBondContact O-CB 3.22Å; K162-E166 WeakPolarHBondContact O-CG 3.37Å; K162-E166 PolarHBondContact O-N 3.39Å
163A98.4Very high97.6Very high0 Ų041.9 Ų41.90%020%0.203CC..Hα-helixtrans-57.3-49.1-17800000112.6L86 L119 V150 T152 N159 V160 E161 L167L86-A163 HydrophobicContact CD2-CB 4.19Å; L119-A163 HydrophobicContact CD2-CB 4Å; L119-A163 WeakPolarHBondContact CD2-O 3.46Å; V150-A163 HydrophobicContact CG1-CB 3.78Å; T152-A163 HydrophobicContact CG2-CB 3.98Å; N159-A163 PolarHBondContact O-N 2.79Å; V160-A163 PolarHBondContact O-N 2.8Å; E161-A163 PolarHBondContact O-N 2.88Å; A163-L167 PolarHBondContact O-N 2.93Å
164F98.4Very high97.5Very high0 Ų044.5 Ų44.50%022%0.217CC..Hα-helixtrans-69.5-40.5178.9-71.9-84.5000112.2L11 L24 I25 F28 L60 I62 L86 V160 E161 K162 T168L11-F164 HydrophobicContact CD1-CD1 4.23Å; L24-F164 HydrophobicContact CD1-CE2 4.48Å; L24-F164 HydrophobicContact CD2-CE2 4.34Å; L24-F164 HydrophobicContact CG-CE2 4Å; L24-F164 HydrophobicContact CG-CZ 4.37Å; I25-F164 HydrophobicContact CG1-CZ 4.31Å; F28-F164 HydrophobicContact CB-CD2 3.8Å; F28-F164 HydrophobicContact CB-CE2 3.52Å; F28-F164 HydrophobicContact CB-CZ 4.22Å; F28-F164 HydrophobicContact CD1-CB 4.46Å; F28-F164 HydrophobicContact CD1-CD1 4Å; F28-F164 AromaticContact CD1-CD2 3.74Å; F28-F164 HydrophobicContact CD1-CD2 3.74Å; F28-F164 HydrophobicContact CD1-CE1 4.14Å; F28-F164 AromaticContact CD1-CE2 3.9Å; F28-F164 HydrophobicContact CD1-CE2 3.9Å; F28-F164 AromaticContact CD1-CG 3.81Å; F28-F164 HydrophobicContact CD1-CG 3.81Å; F28-F164 HydrophobicContact CD1-CZ 4.1Å; F28-F164 HydrophobicContact CD2-CB 4.06Å; F28-F164 AromaticContact CD2-CD2 3.47Å; F28-F164 HydrophobicContact CD2-CD2 3.47Å; F28-F164 VanDerWaalsContact CD2-CD2 3.47Å; F28-F164 HydrophobicContact CD2-CE2 4.13Å; F28-F164 AromaticContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CD2-CG 3.9Å; F28-F164 HydrophobicContact CE1-CB 4.04Å; F28-F164 AromaticContact CE1-CD1 3.96Å; F28-F164 HydrophobicContact CE1-CD1 3.96Å; F28-F164 HydrophobicContact CE1-CD2 4.18Å; F28-F164 HydrophobicContact CE1-CE1 4.48Å; F28-F164 AromaticContact CE1-CG 3.8Å; F28-F164 HydrophobicContact CE1-CG 3.8Å; F28-F164 HydrophobicContact CE2-CB 3.58Å; F28-F164 AromaticContact CE2-CD2 3.93Å; F28-F164 HydrophobicContact CE2-CD2 3.93Å; F28-F164 AromaticContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CE2-CG 3.89Å; F28-F164 HydrophobicContact CG-CB 4.48Å; F28-F164 HydrophobicContact CG-CD1 4.47Å; F28-F164 AromaticContact CG-CD2 3.37Å; F28-F164 HydrophobicContact CG-CD2 3.37Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CG 3.87Å; F28-F164 HydrophobicContact CG-CZ 4.23Å; F28-F164 HydrophobicContact CZ-CB 3.57Å; F28-F164 HydrophobicContact CZ-CD1 4.37Å; F28-F164 HydrophobicContact CZ-CD2 4.25Å; F28-F164 AromaticContact CZ-CG 3.83Å; F28-F164 HydrophobicContact CZ-CG 3.83Å; L60-F164 HydrophobicContact CD1-CB 4.42Å; I62-F164 HydrophobicContact CD1-CD1 4.13Å; I62-F164 HydrophobicContact CD1-CE1 3.84Å; I62-F164 HydrophobicContact CG2-CE1 4.34Å; L86-F164 HydrophobicContact CD1-CD1 3.93Å; L86-F164 HydrophobicContact CD1-CE1 3.58Å; L86-F164 HydrophobicContact CD1-CZ 4.25Å; L86-F164 HydrophobicContact CD2-CD1 4.33Å; L86-F164 HydrophobicContact CD2-CE1 4.09Å; L86-F164 HydrophobicContact CD2-CE2 4.33Å; L86-F164 HydrophobicContact CD2-CZ 4.09Å; V160-F164 WeakPolarHBondContact O-CD2 3.12Å; E161-F164 PolarHBondContact O-N 2.96Å; K162-F164 PolarHBondContact O-N 2.92Å; F164-T168 WeakPolarHBondContact O-CB 3.48Å; F164-T168 PolarHBondContact O-N 2.94Å; F164-T168 PolarHBondContact O-OG1 3.5Å
165T96.9Very high97.4Very high14 Ų1445.1 Ų45.19%0.08622%0.221CC..Hα-helixtrans-68.5-39.2-179-51.30000111.6I52 E161 K162 T168 R169I52-T165 HydrophobicContact CG2-CG2 4.39Å; E161-T165 VanDerWaalsContact O-CB 3.31Å; E161-T165 WeakPolarHBondContact O-CB 3.28Å; E161-T165 PolarHBondContact O-N 2.76Å; E161-T165 PolarHBondContact O-OG1 3.41Å; K162-T165 PolarHBondContact O-N 3.01Å; T165-T168 PolarHBondContact O-N 2.78Å; T165-R169 WeakPolarHBondContact O-CG 3.39Å; T165-R169 PolarHBondContact O-N 2.97Å
166E96.4Very high97.2Very high35 Ų3545.5 Ų45.516%0.16423%0.225CC..Hα-helixtrans-62.4-52176-84.5-172.4166.100111.5R148 K162 T168 R169 D170R148-E166 IonicContact NH1-OE1 3.78Å; R148-E166 IonicContact NH1-OE2 3.87Å; R148-E166 VanDerWaalsContact NH2-CB 3.3Å; R148-E166 PolarHBondContact NH2-O 2.81Å; K162-E166 VanDerWaalsContact CE-CD 3.41Å; K162-E166 WeakPolarHBondContact CE-OE1 3.33Å; K162-E166 HydrophobicContact CG-CG 4.06Å; K162-E166 IonicContact NZ-OE1 2.96Å; K162-E166 WeakPolarHBondContact O-CB 3.22Å; K162-E166 WeakPolarHBondContact O-CG 3.37Å; K162-E166 PolarHBondContact O-N 3.39Å; E166-T168 VanDerWaalsContact C-N 3.27Å; E166-T168 PolarHBondContact O-N 3.35Å; E166-R169 PolarHBondContact O-N 3.35Å; E166-R169 VanDerWaalsContact O-N 3.16Å; E166-D170 PolarHBondContact O-N 3.41Å
167L98.4Very high97.1Very high1 Ų144.9 Ų44.91%0.00523%0.228CC..Hα-helixtrans-58.1-41.5175.3176.358.6000111.8L11 L86 V117 L119 A163 R169 D170 I171L11-L167 HydrophobicContact CD1-CD2 4.3Å; L11-L167 HydrophobicContact CD2-CD2 4.11Å; L11-L167 HydrophobicContact CD2-CG 4.49Å; L86-L167 HydrophobicContact CD1-CD2 3.74Å; L86-L167 HydrophobicContact CG-CD2 3.99Å; V117-L167 HydrophobicContact CB-CD1 4.24Å; V117-L167 HydrophobicContact CG1-CD1 3.91Å; V117-L167 WeakPolarHBondContact O-CD1 3.2Å; L119-L167 HydrophobicContact CB-CB 4.45Å; L119-L167 HydrophobicContact CB-CD1 4.48Å; L119-L167 HydrophobicContact CD2-CB 4.36Å; A163-L167 PolarHBondContact O-N 2.93Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.05Å; L167-D170 PolarHBondContact O-N 3.45Å; L167-I171 HydrophobicContact CD1-CD1 3.92Å; L167-I171 HydrophobicContact CD1-CG1 4.31Å; L167-I171 HydrophobicContact CG-CD1 3.93Å; L167-I171 WeakPolarHBondContact O-CD1 3.38Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 2.8Å; L167-I171 VanDerWaalsContact O-N 3.13Å
168T98.2Very high96.8Very high0 Ų043.9 Ų43.90%022%0.222CC..Hα-helixtrans-62.1-41.7178.1-55.80000111.8F9 V50 I52 I58 L60 F164 T165 E166 F172F9-T168 HydrophobicContact CD2-CG2 3.99Å; F9-T168 HydrophobicContact CE2-CG2 3.95Å; V50-T168 HydrophobicContact CG2-CG2 3.84Å; I52-T168 HydrophobicContact CG2-CG2 3.62Å; I58-T168 HydrophobicContact CB-CG2 3.85Å; I58-T168 HydrophobicContact CG1-CG2 3.94Å; I58-T168 HydrophobicContact CG2-CG2 3.83Å; L60-T168 HydrophobicContact CD2-CG2 4Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.43Å; F164-T168 WeakPolarHBondContact O-CB 3.48Å; F164-T168 PolarHBondContact O-N 2.94Å; F164-T168 PolarHBondContact O-OG1 3.5Å; T165-T168 PolarHBondContact O-N 2.78Å; E166-T168 VanDerWaalsContact C-N 3.27Å; E166-T168 PolarHBondContact O-N 3.35Å; T168-F172 VanDerWaalsContact O-CB 3.29Å; T168-F172 WeakPolarHBondContact O-CB 3.24Å; T168-F172 PolarHBondContact O-N 3.12Å
169R97.1Very high96.6Very high112 Ų11246.3 Ų46.342%0.42324%0.236SC..Hα-helixtrans-64.8-41.6177.1-76.9-179-170.5132.72.2112.2I52 T165 E166 L167 I171 F172 E173I52-R169 HydrophobicContact CB-CG 3.9Å; I52-R169 HydrophobicContact CG2-CG 3.95Å; I52-R169 PolarHBondContact O-NE 2.69Å; I52-R169 VanDerWaalsContact O-NE 3.16Å; I52-R169 PolarHBondContact O-NH2 3.37Å; I52-R169 VanDerWaalsContact O-NH2 3.12Å; T165-R169 WeakPolarHBondContact O-CG 3.39Å; T165-R169 PolarHBondContact O-N 2.97Å; E166-R169 PolarHBondContact O-N 3.35Å; E166-R169 VanDerWaalsContact O-N 3.16Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.05Å; R169-I171 PolarHBondContact O-N 2.83Å; R169-F172 PolarHBondContact O-N 3.43Å; R169-E173 PolarHBondContact O-N 2.96Å
170D96.4Very high96.4Very high51 Ų5144 Ų4427%0.27322%0.224SC..Hα-helixtrans-60.7-47.9178.1-70.5-5.8000111.2V117 R148 E166 L167 F172 E173 L174V117-D170 HydrophobicContact CG1-CB 4.25Å; R148-D170 IonicContact CZ-OD1 3.79Å; R148-D170 VanDerWaalsContact CZ-OD1 3.29Å; R148-D170 IonicContact CZ-OD2 3.21Å; R148-D170 IonicContact NE-OD1 2.69Å; R148-D170 IonicContact NE-OD2 3.7Å; R148-D170 PolarHBondContact NE-OD2 2.63Å; R148-D170 IonicContact NH2-OD1 3.85Å; R148-D170 PolarHBondContact NH2-OD1 2.78Å; R148-D170 IonicContact NH2-OD2 2.81Å; R148-D170 PolarHBondContact NH2-OD2 3.42Å; E166-D170 PolarHBondContact O-N 3.41Å; L167-D170 PolarHBondContact O-N 3.45Å; D170-F172 VanDerWaalsContact C-N 3.31Å; D170-F172 PolarHBondContact O-N 3.18Å; D170-E173 PolarHBondContact O-N 2.75Å; D170-L174 WeakPolarHBondContact O-CG 3.2Å; D170-L174 PolarHBondContact O-N 3.14Å; D170-L174 VanDerWaalsContact O-N 3.09Å
171I97.5Very high96Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-62.5-42.8177.2-63156.1000110.3F9 L11 V83 V117 L167 R169 E173 L174 V175F9-I171 HydrophobicContact CD1-CG2 4.12Å; F9-I171 HydrophobicContact CD2-CB 4.1Å; F9-I171 HydrophobicContact CD2-CD1 4.33Å; F9-I171 HydrophobicContact CD2-CG2 3.8Å; F9-I171 HydrophobicContact CE1-CG2 3.92Å; F9-I171 HydrophobicContact CE2-CB 3.83Å; F9-I171 HydrophobicContact CE2-CG2 3.59Å; F9-I171 HydrophobicContact CG-CG2 4.09Å; F9-I171 HydrophobicContact CZ-CB 4.32Å; F9-I171 HydrophobicContact CZ-CG2 3.67Å; L11-I171 HydrophobicContact CD2-CD1 3.75Å; V83-I171 HydrophobicContact CG1-CD1 4.16Å; V83-I171 HydrophobicContact CG1-CG2 4.05Å; V83-I171 HydrophobicContact CG2-CG1 4.49Å; V83-I171 HydrophobicContact CG2-CG2 3.63Å; V117-I171 HydrophobicContact CB-CG1 3.96Å; V117-I171 HydrophobicContact CG1-CG1 4.34Å; V117-I171 HydrophobicContact CG2-CG1 4.04Å; L167-I171 HydrophobicContact CD1-CD1 3.92Å; L167-I171 HydrophobicContact CD1-CG1 4.31Å; L167-I171 HydrophobicContact CG-CD1 3.93Å; L167-I171 WeakPolarHBondContact O-CD1 3.38Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 2.8Å; L167-I171 VanDerWaalsContact O-N 3.13Å; R169-I171 PolarHBondContact O-N 2.83Å; I171-E173 PolarHBondContact O-N 2.98Å; I171-L174 PolarHBondContact O-N 3.43Å; I171-V175 HydrophobicContact CG2-CG2 4.25Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.33Å; I171-V175 PolarHBondContact O-N 3.43Å
172F96.6Very high95.7Very high11 Ų1148.2 Ų48.25%0.04825%0.248CC..Hα-helixtrans-60.4-44179.3176-98.3000112.5L6 Y7 F9 I52 K56 I58 T168 R169 D170 V175 K176L6-F172 HydrophobicContact CD1-CE2 4.16Å; Y7-F172 AromaticContact CD2-CD2 4Å; Y7-F172 HydrophobicContact CD2-CD2 4Å; Y7-F172 HydrophobicContact CD2-CE2 4.07Å; Y7-F172 HydrophobicContact CE2-CD2 4.1Å; Y7-F172 AromaticContact CE2-CE2 3.85Å; Y7-F172 HydrophobicContact CE2-CE2 3.85Å; F9-F172 HydrophobicContact CE2-CB 4.3Å; F9-F172 HydrophobicContact CZ-CB 4.3Å; I52-F172 HydrophobicContact CD1-CB 3.77Å; I52-F172 HydrophobicContact CD1-CD1 3.55Å; I52-F172 HydrophobicContact CD1-CD2 3.73Å; I52-F172 HydrophobicContact CD1-CE1 4.03Å; I52-F172 HydrophobicContact CD1-CE2 4.19Å; I52-F172 HydrophobicContact CD1-CG 3.37Å; I52-F172 HydrophobicContact CD1-CZ 4.33Å; K56-F172 HydrophobicContact CD-CE1 4.39Å; K56-F172 HydrophobicContact CD-CZ 3.99Å; I58-F172 HydrophobicContact CD1-CD2 3.95Å; I58-F172 HydrophobicContact CD1-CE2 4.42Å; T168-F172 VanDerWaalsContact O-CB 3.29Å; T168-F172 WeakPolarHBondContact O-CB 3.24Å; T168-F172 PolarHBondContact O-N 3.12Å; R169-F172 PolarHBondContact O-N 3.43Å; D170-F172 VanDerWaalsContact C-N 3.31Å; D170-F172 PolarHBondContact O-N 3.18Å; F172-V175 PolarHBondContact O-N 2.74Å; F172-K176 HydrophobicContact CE1-CD 4.11Å; F172-K176 WeakPolarHBondContact O-CB 3.49Å; F172-K176 PolarHBondContact O-N 2.86Å
173E95.8Very high95.3Very high83 Ų8348 Ų4839%0.38825%0.248SC..Hα-helixtrans-66.7-36.7177.2-71.7-59.1133.300112R169 D170 I171 V175 K176 S177R169-E173 PolarHBondContact O-N 2.96Å; D170-E173 PolarHBondContact O-N 2.75Å; I171-E173 PolarHBondContact O-N 2.98Å; E173-V175 VanDerWaalsContact C-N 3.34Å; E173-K176 PolarHBondContact O-N 3.03Å; E173-K176 IonicContact OE1-NZ 2.65Å; E173-K176 PolarHBondContact OE1-NZ 3.05Å; E173-K176 VanDerWaalsContact OE1-NZ 3.07Å; E173-K176 IonicContact OE2-NZ 2.84Å; E173-K176 PolarHBondContact OE2-NZ 3.22Å; E173-S177 PolarHBondContact O-N 2.96Å; E173-S177 PolarHBondContact O-OG 3.37Å
174L96Very high94.7Very high55 Ų5557.3 Ų57.329%0.28829%0.292SS..Hα-helixtrans-66.6-34.3173.2-69169.5000112.9V117 D170 I171 K176 S177 G178 D179 I180V117-L174 HydrophobicContact CG2-CD1 3.58Å; D170-L174 WeakPolarHBondContact O-CG 3.2Å; D170-L174 PolarHBondContact O-N 3.14Å; D170-L174 VanDerWaalsContact O-N 3.09Å; I171-L174 PolarHBondContact O-N 3.43Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-S177 WeakPolarHBondContact CA-OG 3.49Å; L174-S177 PolarHBondContact O-OG 2.99Å; L174-S177 VanDerWaalsContact O-OG 3.06Å; L174-G178 PolarHBondContact O-N 3.44Å; L174-D179 HydrophobicContact CB-CB 4.34Å; L174-D179 HydrophobicContact CD2-CB 3.82Å; L174-D179 PolarHBondContact O-N 3.01Å; L174-I180 HydrophobicContact CB-CB 4.36Å; L174-I180 HydrophobicContact CB-CD1 3.79Å; L174-I180 HydrophobicContact CB-CG1 3.95Å; L174-I180 HydrophobicContact CD1-CD1 3.83Å; L174-I180 HydrophobicContact CG-CD1 4.47Å; L174-I180 PolarHBondContact O-N 3.44Å
175V94.8Very high94.1Very high15 Ų1560.8 Ų60.89%0.09133%0.328CS..Hα-helixtrans-68.1-39.8173.3170.40000110.8Y7 F9 I171 F172 E173 G178 I180 V189Y7-V175 HydrophobicContact CD1-CG1 4.34Å; Y7-V175 HydrophobicContact CE1-CG1 3.77Å; Y7-V175 HydrophobicContact CE2-CG1 4.02Å; F9-V175 HydrophobicContact CE1-CG2 4.26Å; F9-V175 HydrophobicContact CZ-CG2 4.42Å; I171-V175 HydrophobicContact CG2-CG2 4.25Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.33Å; I171-V175 PolarHBondContact O-N 3.43Å; F172-V175 PolarHBondContact O-N 2.74Å; E173-V175 VanDerWaalsContact C-N 3.34Å; V175-G178 PolarHBondContact O-N 3.31Å; V175-I180 WeakPolarHBondContact CA-O 3.23Å; V175-I180 HydrophobicContact CG2-CB 3.99Å; V175-I180 HydrophobicContact CG2-CG2 3.89Å; V175-V189 HydrophobicContact CG2-CG1 4.23Å; V175-V189 HydrophobicContact CG2-CG2 4.21Å
176K93.3Very high93.9Very high124 Ų12460.9 Ų60.954%0.53933%0.326SS..Hα-helixtrans-71.8-33.9179.8178.7-179.2155.8-145.20113F172 E173 L174 G178F172-K176 HydrophobicContact CE1-CD 4.11Å; F172-K176 WeakPolarHBondContact O-CB 3.49Å; F172-K176 PolarHBondContact O-N 2.86Å; E173-K176 PolarHBondContact O-N 3.03Å; E173-K176 IonicContact OE1-NZ 2.65Å; E173-K176 PolarHBondContact OE1-NZ 3.05Å; E173-K176 VanDerWaalsContact OE1-NZ 3.07Å; E173-K176 IonicContact OE2-NZ 2.84Å; E173-K176 PolarHBondContact OE2-NZ 3.22Å; L174-K176 VanDerWaalsContact C-N 3.35Å; K176-G178 VanDerWaalsContact C-N 3.29Å
177S95.4Very high93.7Very high74 Ų7461.5 Ų61.552%0.51733%0.329SS..Hα-helixtrans-76-16.8173.963.30000113.1E173 L174 D179E173-S177 PolarHBondContact O-N 2.96Å; E173-S177 PolarHBondContact O-OG 3.37Å; L174-S177 WeakPolarHBondContact CA-OG 3.49Å; L174-S177 PolarHBondContact O-OG 2.99Å; L174-S177 VanDerWaalsContact O-OG 3.06Å; S177-D179 WeakPolarHBondContact CB-OD2 3.24Å; S177-D179 VanDerWaalsContact OG-CG 3.28Å; S177-D179 PolarHBondContact OG-N 3.36Å; S177-D179 PolarHBondContact OG-OD2 3.14Å
178G93Very high93.5Very high32 Ų3261.4 Ų61.433%0.3333%0.329SS..THydrogen-bonded Turntrans85.88.6-175.700000114L174 V175 K176 I180 N181L174-G178 PolarHBondContact O-N 3.44Å; V175-G178 PolarHBondContact O-N 3.31Å; K176-G178 VanDerWaalsContact C-N 3.29Å; G178-I180 VanDerWaalsContact C-N 3.32Å; G178-N181 PolarHBondContact O-ND2 3.21Å
179D93.3Very high93.4Very high119 Ų11961.4 Ų61.464%0.63633%0.329SS*.SBendtrans-71.7-28.8173.8-65-47.4000111.7L174 S177L174-D179 HydrophobicContact CB-CB 4.34Å; L174-D179 HydrophobicContact CD2-CB 3.82Å; L174-D179 PolarHBondContact O-N 3.01Å; S177-D179 WeakPolarHBondContact CB-OD2 3.24Å; S177-D179 VanDerWaalsContact OG-CG 3.28Å; S177-D179 PolarHBondContact OG-N 3.36Å; S177-D179 PolarHBondContact OG-OD2 3.14Å
180I93.9Very high93.3Very high15 Ų1559.6 Ų59.68%0.07732%0.324CS..SBendtrans-119.3119.7169.7-64.5175.8000109.1V83 V117 L174 V175 G178 W186 V189V83-I180 HydrophobicContact CG2-CD1 3.86Å; V83-I180 HydrophobicContact CG2-CG2 4Å; V117-I180 HydrophobicContact CG2-CD1 3.84Å; L174-I180 HydrophobicContact CB-CB 4.36Å; L174-I180 HydrophobicContact CB-CD1 3.79Å; L174-I180 HydrophobicContact CB-CG1 3.95Å; L174-I180 HydrophobicContact CD1-CD1 3.83Å; L174-I180 HydrophobicContact CG-CD1 4.47Å; L174-I180 PolarHBondContact O-N 3.44Å; V175-I180 WeakPolarHBondContact CA-O 3.23Å; V175-I180 HydrophobicContact CG2-CB 3.99Å; V175-I180 HydrophobicContact CG2-CG2 3.89Å; G178-I180 VanDerWaalsContact C-N 3.32Å; I180-W186 HydrophobicContact CG2-CH2 3.96Å; I180-W186 HydrophobicContact CG2-CZ3 3.98Å; I180-V189 HydrophobicContact CG2-CG2 3.83Å
181N90.9Very high93Very high89 Ų8960.8 Ų60.848%0.47634%0.336SS..  trans-111.3149.9-179.5-64.5-71.5000111.5G178 Q183 W186G178-N181 PolarHBondContact O-ND2 3.21Å; N181-Q183 PolarHBondContact O-N 3.2Å; N181-W186 WeakPolarHBondContact O-CZ3 3.5Å
182I91.5Very high92.2Very high86 Ų8661.6 Ų61.644%0.44134%0.344SS..  trans-65.5130.2166.4-62.3170.7000107.5Y7 V189Y7-I182 HydrophobicContact CD1-CD1 4.36Å; Y7-I182 HydrophobicContact CE1-CD1 4.13Å; I182-V189 HydrophobicContact CG1-CB 4.36Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å
183Q88.6Confident91.1Very high91 Ų9165.3 Ų65.343%0.42537%0.365SS..  trans-127.9144.3-179.8-63.1-175.315.100110.3H114 N181 G185 W186H114-Q183 VanDerWaalsContact NE2-CD 3.26Å; H114-Q183 PolarHBondContact NE2-OE1 3Å; N181-Q183 PolarHBondContact O-N 3.2Å; Q183-G185 PolarHBondContact O-N 3.19Å; Q183-W186 HydrophobicContact CB-CB 4.06Å; Q183-W186 PolarHBondContact O-N 3.36Å
184E86.4Confident89.4Confident197 Ų19764.4 Ų64.492%0.92136%0.364SS*.THydrogen-bonded Turntrans-62.1133.1176.3-166.9178.717900110.7W186E184-W186 PolarHBondContact O-N 3.11Å; E184-W186 VanDerWaalsContact O-N 3.17Å
185G86.4Confident87.2Confident73 Ų7364.2 Ų64.275%0.75337%0.367SS*.THydrogen-bonded Turntrans72.9-2.6-178.400000115.6Q183Q183-G185 PolarHBondContact O-N 3.19Å
186W92.3Very high84.9Confident15 Ų1570.6 Ų70.66%0.05740%0.4CS..  trans-100.1127.7172.2-175.154.2000111.1R80 V83 H114 I180 N181 Q183 E184 V189R80-W186 VanDerWaalsContact O-CD1 3.24Å; R80-W186 PolarHBondContact O-NE1 3.28Å; V83-W186 HydrophobicContact CB-CH2 4.01Å; V83-W186 HydrophobicContact CB-CZ2 4.16Å; V83-W186 HydrophobicContact CG2-CH2 3.88Å; V83-W186 HydrophobicContact CG2-CZ2 4.44Å; H114-W186 HydrophobicContact CB-CZ2 3.9Å; H114-W186 AromaticContact CD2-CD2 3.55Å; H114-W186 AromaticContact CD2-CE2 3.58Å; H114-W186 AromaticContact CD2-CE3 3.83Å; H114-W186 AromaticContact CD2-CG 4Å; H114-W186 AromaticContact CD2-CZ2 3.89Å; H114-W186 AromaticContact CE1-CD1 3.55Å; H114-W186 AromaticContact CE1-CD2 3.94Å; H114-W186 AromaticContact CE1-CG 3.52Å; H114-W186 AromaticContact CE1-NE1 3.93Å; H114-W186 AromaticContact CG-CD2 3.95Å; H114-W186 AromaticContact CG-CE2 3.56Å; H114-W186 AromaticContact CG-CZ2 3.89Å; H114-W186 AromaticContact CG-NE1 3.61Å; H114-W186 AromaticContact ND1-CD1 3.59Å; H114-W186 AromaticContact ND1-CE2 3.97Å; H114-W186 AromaticContact ND1-CG 3.97Å; H114-W186 AromaticContact ND1-NE1 3.58Å; H114-W186 AromaticContact NE2-CD1 3.95Å; H114-W186 AromaticContact NE2-CD2 3.54Å; H114-W186 AromaticContact NE2-CE2 3.98Å; H114-W186 AromaticContact NE2-CE3 3.92Å; H114-W186 AromaticContact NE2-CG 3.54Å; I180-W186 HydrophobicContact CG2-CH2 3.96Å; I180-W186 HydrophobicContact CG2-CZ3 3.98Å; N181-W186 WeakPolarHBondContact O-CZ3 3.5Å; Q183-W186 HydrophobicContact CB-CB 4.06Å; Q183-W186 PolarHBondContact O-N 3.36Å; E184-W186 PolarHBondContact O-N 3.11Å; E184-W186 VanDerWaalsContact O-N 3.17Å; W186-V189 HydrophobicContact CH2-CG2 4.16Å; W186-V189 HydrophobicContact CZ3-CB 4.3Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å
187E92.7Very high82.7Confident48 Ų4869.3 Ų69.322%0.22440%0.402CS..  trans-97.4-0-173-65.7-77.9134.300114R10 N81 V189 K190R10-E187 WeakPolarHBondContact CD-O 3.31Å; R10-E187 WeakPolarHBondContact CG-O 3.42Å; R10-E187 IonicContact CZ-OE2 3.29Å; R10-E187 VanDerWaalsContact CZ-OE2 3.31Å; R10-E187 IonicContact NE-OE2 2.85Å; R10-E187 VanDerWaalsContact NH1-CB 3.26Å; R10-E187 IonicContact NH2-OE2 2.67Å; R10-E187 PolarHBondContact NH2-OE2 3.13Å; N81-E187 HydrophobicContact CB-CB 4.04Å; N81-E187 PolarHBondContact OD1-N 3.06Å; E187-V189 PolarHBondContact O-N 2.71Å; E187-K190 WeakPolarHBondContact OE1-CE 2.93Å; E187-K190 IonicContact OE1-NZ 2.7Å; E187-K190 PolarHBondContact OE1-NZ 2.73Å; E187-K190 WeakPolarHBondContact OE2-CE 3.13Å; E187-K190 IonicContact OE2-NZ 3.59Å; E187-K190 PolarHBondContact OE2-NZ 3.23Å
188G93.8Very high80Confident0 Ų071.9 Ų71.90%042%0.415CS..SBendtrans-59.3-44.2-177.100000113F9 R10 N81 V83F9-G188 WeakPolarHBondContact CA-O 3.48Å; R10-G188 PolarHBondContact N-O 3.02Å; N81-G188 WeakPolarHBondContact O-CA 3.49Å; N81-G188 PolarHBondContact O-N 3.39Å; V83-G188 WeakPolarHBondContact CG1-O 3.38Å
189V95.6Very high77.6Confident0 Ų078.2 Ų78.20%044%0.436CS..EExtended strand (participates in β ladder)trans-130.3130177.5-1750000109.9Y7 Q8 F9 V83 V175 I180 I182 W186 E187Y7-V189 HydrophobicContact CD1-CG1 4.04Å; Q8-V189 WeakPolarHBondContact O-CA 3.25Å; F9-V189 HydrophobicContact CD1-CB 4.44Å; F9-V189 HydrophobicContact CD1-CG1 4.02Å; F9-V189 HydrophobicContact CD1-CG2 4.06Å; F9-V189 HydrophobicContact CE1-CG1 3.79Å; F9-V189 HydrophobicContact CE1-CG2 4.22Å; V83-V189 HydrophobicContact CB-CG2 3.89Å; V83-V189 HydrophobicContact CG1-CG2 4.09Å; V83-V189 HydrophobicContact CG2-CG2 3.59Å; V175-V189 HydrophobicContact CG2-CG1 4.23Å; V175-V189 HydrophobicContact CG2-CG2 4.21Å; I180-V189 HydrophobicContact CG2-CG2 3.83Å; I182-V189 HydrophobicContact CG1-CB 4.36Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å; W186-V189 HydrophobicContact CH2-CG2 4.16Å; W186-V189 HydrophobicContact CZ3-CB 4.3Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å; E187-V189 PolarHBondContact O-N 2.71Å
190K94.5Very high74.8Confident74 Ų7477.4 Ų77.432%0.32244%0.439SS..EExtended strand (participates in β ladder)trans-124150.3167.9-62.2-168.3171.5-173.80111.1Y7 Q8 E187Y7-K190 CarbonylContact C-O 3.53Å; Y7-K190 VanDerWaalsContact CA-O 3.23Å; Y7-K190 WeakPolarHBondContact CA-O 3.24Å; Q8-K190 HydrophobicContact CB-CB 4.27Å; Q8-K190 PolarHBondContact N-O 2.7Å; Q8-K190 PolarHBondContact O-N 3.03Å; E187-K190 WeakPolarHBondContact OE1-CE 2.93Å; E187-K190 IonicContact OE1-NZ 2.7Å; E187-K190 PolarHBondContact OE1-NZ 2.73Å; E187-K190 WeakPolarHBondContact OE2-CE 3.13Å; E187-K190 IonicContact OE2-NZ 3.59Å; E187-K190 PolarHBondContact OE2-NZ 3.23Å
191S91.1Very high72.1Confident75 Ų7582 Ų8252%0.52447%0.473SS..EExtended strand (participates in β ladder)trans-65156.2169.152.60000111.4
192G80.8Confident69.5Low17 Ų1786.1 Ų86.118%0.17549%0.489CS..PPolyproline II helixtrans-56144.6177.100000114.2W5 L6 V194W5-G192 WeakPolarHBondContact O-CA 3.26Å; L6-G192 WeakPolarHBondContact O-CA 3.1Å; L6-G192 PolarHBondContact O-N 2.74Å; G192-V194 PolarHBondContact O-N 3.44Å
193L73.2Confident66.8Low90 Ų9090.7 Ų90.747%0.47151%0.508SS..PPolyproline II helixtrans-75.9118.8172.9-170.4113.9000109.7I4 W5I4-L193 HydrophobicContact CD1-CD2 4.47Å; I4-L193 PolarHBondContact N-O 2.82Å; W5-L193 HydrophobicContact CH2-CB 3.78Å; W5-L193 HydrophobicContact CH2-CD2 4.38Å; W5-L193 HydrophobicContact CZ2-CB 3.4Å; W5-L193 HydrophobicContact CZ2-CG 4.49Å
194V60.6Low64.3Low63 Ų6392.5 Ų92.538%0.38253%0.526SS..PPolyproline II helixtrans-90.2116.5163.6-1730000107A3 G192 N196 V197A3-V194 HydrophobicContact CB-CG2 4.44Å; G192-V194 PolarHBondContact O-N 3.44Å; V194-N196 PolarHBondContact O-N 3.44Å; V194-N196 VanDerWaalsContact O-N 3.13Å; V194-V197 HydrophobicContact CB-CG2 4.41Å; V194-V197 PolarHBondContact O-N 3.17Å
195P48.3Very low61.9Low52 Ų5289.4 Ų89.434%0.33852%0.52SS..THydrogen-bonded Turntrans-58122.1177.4-19.631.1000109.3I4I4-P195 HydrophobicContact CD1-CG 3.96Å; I4-P195 HydrophobicContact CG1-CG 4.13Å
196N48.2Very low59.5Low148 Ų14895.5 Ų95.579%0.79153%0.526SS*.THydrogen-bonded Turntrans101.64.6178.9-56.1-25.7000119.1V194 V198V194-N196 PolarHBondContact O-N 3.44Å; V194-N196 VanDerWaalsContact O-N 3.13Å; N196-V198 PolarHBondContact O-N 2.67Å
197V45.6Very low56.8Low97 Ų97100 Ų10059%0.58856%0.56SS**  trans-85.893.9161.6-173.30000108.2V194 H199V194-V197 HydrophobicContact CB-CG2 4.41Å; V194-V197 PolarHBondContact O-N 3.17Å; V197-H199 PolarHBondContact O-N 3.24Å
198V40.2Very low54.6Low129 Ų129101 Ų10178%0.78258%0.583SS**  trans-60.3106158.6-178.20000105N196 S200N196-V198 PolarHBondContact O-N 2.67Å; V198-S200 PolarHBondContact O-N 2.86Å
199H42Very low52.1Low165 Ų165112.6 Ų112.676%0.76463%0.627SS**  trans-61.399.7161.7-86.5-74.4000105.5V197 S201V197-H199 PolarHBondContact O-N 3.24Å; H199-S201 VanDerWaalsContact C-N 3.33Å; H199-S201 PolarHBondContact O-N 2.92Å
200S34.2Very low49.5Very low102 Ų102123.9 Ų123.971%0.71367%0.67SS**  trans-58.2103.7167.251.50000106.1V198 E202V198-S200 PolarHBondContact O-N 2.86Å; S200-E202 PolarHBondContact O-N 3.14Å; S200-E202 VanDerWaalsContact O-N 3.14Å
201S36.9Very low46.8Very low112 Ų112126.7 Ų126.778%0.78370%0.697SS**  trans-50.7120.5159.62.20000106.3H199 E203H199-S201 VanDerWaalsContact C-N 3.33Å; H199-S201 PolarHBondContact O-N 2.92Å; S201-E203 PolarHBondContact O-N 3.28Å
202E37.3Very low44.9Very low175 Ų175129.8 Ų129.882%0.81871%0.707SS**  trans-46.4128179.3-68170.6141.200110.3S200 V204S200-E202 PolarHBondContact O-N 3.14Å; S200-E202 VanDerWaalsContact O-N 3.14Å; E202-V204 PolarHBondContact O-N 2.89Å
203E33.5Very low43.3Very low181 Ų181138 Ų13885%0.84676%0.76SS**  trans-57.4110.8170-73.5-177.5149.100108.5S201 T205S201-E203 PolarHBondContact O-N 3.28Å; E203-T205 VanDerWaalsContact C-N 3.35Å; E203-T205 PolarHBondContact O-N 3.03Å
204V37.5Very low41.8Very low130 Ų130140.5 Ų140.579%0.78877%0.774SS**  trans-58.7103163175.90000107E202 K206E202-V204 PolarHBondContact O-N 2.89Å; V204-K206 PolarHBondContact O-N 2.91Å
205T35.2Very low40.8Very low131 Ų131144.5 Ų144.580%0.80480%0.795SS**  trans-57.3102.8169.2400000108.5E203 S207E203-T205 VanDerWaalsContact C-N 3.35Å; E203-T205 PolarHBondContact O-N 3.03Å; T205-S207 VanDerWaalsContact C-N 3.33Å; T205-S207 PolarHBondContact O-N 2.93Å
206K35.2Very low40.4Very low201 Ų201149.7 Ų149.787%0.87482%0.82SS**  trans-67.694.7169.8-84.5-176.6177176.30108.5V204 G208V204-K206 PolarHBondContact O-N 2.91Å; K206-G208 PolarHBondContact O-N 3.22Å
207S37.4Very low39.9Very low111 Ų111149.8 Ų149.878%0.77682%0.822SS**  trans-50.4120159.5165.10000109.2T205 R209T205-S207 VanDerWaalsContact C-N 3.33Å; T205-S207 PolarHBondContact O-N 2.93Å; S207-R209 PolarHBondContact O-N 3.48Å
208G45.5Very low39.5Very low69 Ų69153.1 Ų153.171%0.71184%0.837SS**  trans-57.9133.5-177.800000113.2K206K206-G208 PolarHBondContact O-N 3.22Å
209R41.5Very low39.5Very low242 Ų242154.7 Ų154.791%0.91384%0.84SS**  trans-124.8109.8151.1-74.8-174-178.2179.71.4107.2S207 C211S207-R209 PolarHBondContact O-N 3.48Å; R209-C211 PolarHBondContact O-N 3.36Å
210R40.2Very low39.3Very low238 Ų238153.9 Ų153.990%0.89885%0.846SS**  trans-65.1119.8166.9-67.3176.9-154.6176.46106.8
211C39.1Very low39.7Very low132 Ų132157.9 Ų157.989%0.89286%0.856SS**  trans-80118.2160.8-156.70000106.5R209R209-C211 PolarHBondContact O-N 3.36Å
212L49.9Very low39.9Very low141 Ų141161.8 Ų161.874%0.73886%0.862SS**  trans-110123168-92.3148.5000105.8
213C47.1Very low40.2Very low190 Ų190160.5 Ų160.5100%1.28487%0.866SS**  trans37.70159.656.40000118.1

Retrieved 213 of 213 residues in 1551 ms (Link to these results)

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