A0A077ZG47_TRITR Loading...

Tubulin 3 and Misat Tub SegII domain containing p rotein

AlphaFold DB , UniProt , Accession A0A077ZG47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 497 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
1M27.2Very low69Low241 Ų24162.5 Ų62.5100%1.18736%0.362SS*.  0114.60-64.1179.8-167.200106.1G3M1-G3 PolarHBondContact O-N 2.71Å
2L35.7Very low71.4Confident131 Ų13157.3 Ų57.369%0.68633%0.332SS*.  trans-52.2127.5168.3-76.4142.7000105.9
3G39.2Very low73.4Confident57 Ų5752.9 Ų52.959%0.58831%0.307SS*.  trans-48.6148.5174.600000109.2M1 S5M1-G3 PolarHBondContact O-N 2.71Å; G3-S5 PolarHBondContact O-N 3.37Å
4P47.6Very low75Confident106 Ų10649.1 Ų49.169%0.68829%0.285SS*.  trans-45.5108.4-167.819.2-32.3000108.5K6P4-K6 PolarHBondContact O-N 3.16Å
5S54.8Low76.3Confident56 Ų5647.9 Ų47.939%0.39228%0.277SS..  trans-59.5111.4-179.1500000105.3G3 A7G3-S5 PolarHBondContact O-N 3.37Å; S5-A7 VanDerWaalsContact C-N 3.31Å; S5-A7 PolarHBondContact O-N 3.14Å
6K76.2Confident77.5Confident86 Ų8644.9 Ų44.937%0.37426%0.259SS..  trans-64.594.8-174-67.4-179.3-176.2169.60107.4P4 Y183P4-K6 PolarHBondContact O-N 3.16Å; K6-Y183 HydrophobicContact CB-CD1 4.31Å; K6-Y183 HydrophobicContact CB-CE1 4.26Å; K6-Y183 HydrophobicContact CD-CE1 4.24Å; K6-Y183 HydrophobicContact CG-CD1 4.05Å; K6-Y183 HydrophobicContact CG-CE1 3.89Å
7A89.9Confident78.8Confident4 Ų442.3 Ų42.33%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-61.8144.6-170.500000110.1S5 V181 Y183 G185S5-A7 VanDerWaalsContact C-N 3.31Å; S5-A7 PolarHBondContact O-N 3.14Å; A7-V181 HydrophobicContact CB-CB 3.82Å; A7-V181 HydrophobicContact CB-CG1 3.57Å; A7-V181 HydrophobicContact CB-CG2 4.1Å; A7-Y183 PolarHBondContact N-O 2.78Å; A7-G185 WeakPolarHBondContact O-CA 3.29Å; A7-G185 PolarHBondContact O-N 3.17Å
8L94.2Very high79.8Confident4 Ų439.9 Ų39.92%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-117130.9179.3-60.5172.6000108.5A42 R59 G186 K303 M311L8-A42 PolarHBondContact N-O 2.84Å; L8-R59 WeakPolarHBondContact O-CB 3.43Å; L8-G186 WeakPolarHBondContact CA-O 3.39Å; L8-K303 HydrophobicContact CD1-CG 4.27Å; L8-M311 HydrophobicContact CD2-SD 4.34Å
9L96.7Very high80.8Confident2 Ų238.2 Ų38.21%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-98.2133.1167.7177.364.4000108.5V11 V61 I174 F177 T178 L184 G186 I187 H188 F208L9-V11 HydrophobicContact CD2-CG2 4.19Å; L9-V11 HydrophobicContact CG-CG2 4.25Å; L9-V61 HydrophobicContact CD1-CG2 4.38Å; L9-I174 HydrophobicContact CD2-CG2 4.12Å; L9-F177 HydrophobicContact CD1-CB 3.85Å; L9-F177 HydrophobicContact CD1-CD2 4.46Å; L9-F177 HydrophobicContact CD1-CG 4.28Å; L9-T178 HydrophobicContact CD2-CG2 3.79Å; L9-L184 HydrophobicContact CB-CD1 3.85Å; L9-G186 PolarHBondContact N-O 3.28Å; L9-G186 VanDerWaalsContact N-O 3.14Å; L9-I187 HydrophobicContact CB-CG1 4.34Å; L9-I187 CarbonylContact O-C 3.54Å; L9-I187 VanDerWaalsContact O-CA 3.26Å; L9-I187 WeakPolarHBondContact O-CA 3.35Å; L9-H188 PolarHBondContact O-N 3Å; L9-F208 HydrophobicContact CD2-CE1 3.77Å; L9-F208 HydrophobicContact CD2-CZ 3.94Å
10T98.3Very high81.7Confident1 Ų136.3 Ų36.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-105.1136.1167.1-56.40000110Q12 W24 W25 R59 V60 V61 H188 L190T10-Q12 HydrophobicContact CG2-CG 3.81Å; T10-W24 HydrophobicContact CG2-CZ3 3.81Å; T10-W24 WeakPolarHBondContact OG1-CZ3 3.29Å; T10-W25 HydrophobicContact CG2-CZ2 3.81Å; T10-W25 WeakPolarHBondContact OG1-CH2 3.47Å; T10-W25 WeakPolarHBondContact OG1-CZ2 3.39Å; T10-R59 PolarHBondContact N-O 2.86Å; T10-V60 HydrophobicContact CG2-CG2 4.04Å; T10-V60 CarbonylContact O-C 3.46Å; T10-V60 WeakPolarHBondContact O-CA 3.37Å; T10-V60 WeakPolarHBondContact O-CG2 3.47Å; T10-V61 PolarHBondContact O-N 2.93Å; T10-H188 CarbonylContact C-O 3.59Å; T10-H188 WeakPolarHBondContact CA-O 3.24Å; T10-H188 HydrophobicContact CG2-CB 4.27Å; T10-L190 HydrophobicContact CG2-CD1 3.96Å
11V98.7Very high82.5Confident0 Ų034.6 Ų34.60%020%0.199CC..EExtended strand (participates in β ladder)trans-116.8130.7171.9179.70000107.9L9 V13 V61 F63 I187 H188 F189 L190 F208L9-V11 HydrophobicContact CD2-CG2 4.19Å; L9-V11 HydrophobicContact CG-CG2 4.25Å; V11-V13 HydrophobicContact CG1-CG2 4.08Å; V11-V61 WeakPolarHBondContact CA-O 3.47Å; V11-F63 HydrophobicContact CG1-CD2 4.11Å; V11-F63 HydrophobicContact CG1-CE2 3.8Å; V11-I187 HydrophobicContact CG2-CG2 4.34Å; V11-H188 PolarHBondContact N-O 2.74Å; V11-F189 HydrophobicContact CB-CD2 3.85Å; V11-F189 HydrophobicContact CB-CE2 4.06Å; V11-F189 HydrophobicContact CB-CG 4.43Å; V11-F189 HydrophobicContact CG1-CD2 3.99Å; V11-F189 HydrophobicContact CG1-CE2 3.66Å; V11-F189 HydrophobicContact CG1-CZ 4.08Å; V11-F189 HydrophobicContact CG2-CD2 4.41Å; V11-L190 PolarHBondContact O-N 2.9Å; V11-F208 HydrophobicContact CG2-CE2 3.68Å; V11-F208 HydrophobicContact CG2-CZ 3.55Å
12Q98.5Very high85.7Confident0 Ų023.1 Ų23.10%014%0.143CC..EExtended strand (participates in β ladder)trans-126120.3-178.5-52.8-177.2-25.200108.8T10 N18 V60 V61 I62 F63 L190T10-Q12 HydrophobicContact CG2-CG 3.81Å; Q12-N18 WeakPolarHBondContact CB-OD1 3.37Å; Q12-V60 HydrophobicContact CG-CG2 3.85Å; Q12-V61 PolarHBondContact N-O 2.66Å; Q12-I62 HydrophobicContact CB-CG1 4.42Å; Q12-F63 PolarHBondContact O-N 3Å; Q12-L190 CarbonylContact C-O 3.54Å; Q12-L190 WeakPolarHBondContact CA-O 3.43Å
13V97.7Very high88.6Confident0 Ų017 Ų170%011%0.11CC..EExtended strand (participates in β ladder)trans-121111.2-176.5-173.90000110.1V11 F63 F189 L190 C191 D192 L197 M200 L204V11-V13 HydrophobicContact CG1-CG2 4.08Å; V13-F63 HydrophobicContact CG1-CB 4.49Å; V13-F63 HydrophobicContact CG2-CD2 3.93Å; V13-F189 HydrophobicContact CG2-CE1 4.02Å; V13-F189 HydrophobicContact CG2-CZ 3.9Å; V13-L190 PolarHBondContact N-O 2.78Å; V13-C191 HydrophobicContact CB-CB 4.1Å; V13-C191 CarbonylContact O-C 3.5Å; V13-C191 WeakPolarHBondContact O-CA 3.44Å; V13-D192 PolarHBondContact O-N 3.14Å; V13-L197 HydrophobicContact CG1-CB 3.96Å; V13-M200 HydrophobicContact CG1-CB 4.42Å; V13-L204 HydrophobicContact CG2-CD1 3.66Å
14G94.8Very high91.2Very high0 Ų014.2 Ų14.20%08%0.082CC..SBendtrans88.1165.4173.600000115.4Y16 A17 N18 F63G14-Y16 PolarHBondContact O-N 2.9Å; G14-A17 PolarHBondContact O-N 3.04Å; G14-N18 PolarHBondContact O-N 3.32Å; G14-N18 PolarHBondContact O-ND2 2.77Å; G14-N18 VanDerWaalsContact O-ND2 3.13Å; G14-N18 PolarHBondContact O-OD1 2.92Å; G14-F63 PolarHBondContact N-O 3.03Å
15N94.3Very high93.4Very high31 Ų319.2 Ų9.217%0.1665%0.05CC..Hα-helixtrans-55.8-55.7-162.1-168.7-45.4000114.6A17 N18 F19 E64 N68N15-A17 VanDerWaalsContact C-N 3.35Å; N15-A17 PolarHBondContact O-N 2.81Å; N15-N18 WeakPolarHBondContact O-CB 3.39Å; N15-N18 PolarHBondContact O-N 2.82Å; N15-N18 VanDerWaalsContact O-N 3.09Å; N15-F19 PolarHBondContact O-N 3.36Å; N15-F19 WeakPolarHBondContact OD1-CD2 2.95Å; N15-F19 WeakPolarHBondContact OD1-CE2 3.21Å; N15-E64 WeakPolarHBondContact CA-OE2 3.36Å; N15-N68 WeakPolarHBondContact ND2-CB 3.37Å; N15-N68 PolarHBondContact ND2-OD1 3.02Å; N15-N68 VanDerWaalsContact ND2-OD1 3.14Å
16Y96.9Very high95.1Very high0 Ų06.9 Ų6.90%03%0.033CC..Hα-helixtrans-68.9-35.1-175-164.3-119.1000113.2G14 N18 F19 V20 D192 C222 W223 H224 P284 T287 A288 L291G14-Y16 PolarHBondContact O-N 2.9Å; Y16-N18 PolarHBondContact O-N 3.44Å; Y16-F19 HydrophobicContact CD2-CB 4.48Å; Y16-F19 WeakPolarHBondContact O-CB 3.15Å; Y16-F19 PolarHBondContact O-N 3.14Å; Y16-V20 HydrophobicContact CE1-CG2 4.3Å; Y16-V20 WeakPolarHBondContact O-CG2 3.47Å; Y16-V20 PolarHBondContact O-N 3.08Å; Y16-D192 VanDerWaalsContact CB-OD2 3.3Å; Y16-D192 WeakPolarHBondContact CB-OD2 3.02Å; Y16-D192 PolarHBondContact N-OD2 3.38Å; Y16-C222 HydrophobicContact CD1-CB 3.92Å; Y16-C222 HydrophobicContact CE1-CB 4.36Å; Y16-W223 WeakPolarHBondContact CE1-O 3.49Å; Y16-H224 WeakPolarHBondContact CB-NE2 3.48Å; Y16-H224 AromaticContact CD2-CE1 3.36Å; Y16-H224 WeakPolarHBondContact CD2-CE1 3.47Å; Y16-H224 AromaticContact CD2-CG 3.9Å; Y16-H224 AromaticContact CD2-ND1 3.35Å; Y16-H224 VanDerWaalsContact CD2-ND1 3.35Å; Y16-H224 WeakPolarHBondContact CD2-ND1 3.29Å; Y16-H224 AromaticContact CD2-NE2 3.92Å; Y16-H224 AromaticContact CE2-ND1 3.75Å; Y16-H224 AromaticContact CG-CD2 3.88Å; Y16-H224 AromaticContact CG-CE1 3.72Å; Y16-H224 AromaticContact CG-CG 3.93Å; Y16-H224 AromaticContact CG-ND1 3.82Å; Y16-H224 AromaticContact CG-NE2 3.78Å; Y16-P284 HydrophobicContact CD2-CB 4.06Å; Y16-P284 HydrophobicContact CE2-CB 3.97Å; Y16-T287 WeakPolarHBondContact OH-CB 3.29Å; Y16-T287 PolarHBondContact OH-OG1 3.44Å; Y16-A288 HydrophobicContact CE2-CB 4.14Å; Y16-L291 HydrophobicContact CE1-CD1 3.76Å
17A98.2Very high95.5Very high0 Ų03.1 Ų3.10%02%0.017CC..Hα-helixtrans-60.1-38.4171.700000111.2G14 N15 V20 G21 L190 D192G14-A17 PolarHBondContact O-N 3.04Å; N15-A17 VanDerWaalsContact C-N 3.35Å; N15-A17 PolarHBondContact O-N 2.81Å; A17-V20 PolarHBondContact O-N 3.12Å; A17-G21 PolarHBondContact O-N 2.99Å; A17-L190 HydrophobicContact CB-CB 4.04Å; A17-D192 HydrophobicContact CB-CB 4.32Å
18N98Very high95.3Very high0 Ų03.2 Ų3.20%02%0.016CC..Hα-helixtrans-70.4-32.3176.7-62.3-23.4000112.5Q12 G14 N15 Y16 S22 I62 F63 E64 W130Q12-N18 WeakPolarHBondContact CB-OD1 3.37Å; G14-N18 PolarHBondContact O-N 3.32Å; G14-N18 PolarHBondContact O-ND2 2.77Å; G14-N18 VanDerWaalsContact O-ND2 3.13Å; G14-N18 PolarHBondContact O-OD1 2.92Å; N15-N18 WeakPolarHBondContact O-CB 3.39Å; N15-N18 PolarHBondContact O-N 2.82Å; N15-N18 VanDerWaalsContact O-N 3.09Å; Y16-N18 PolarHBondContact O-N 3.44Å; N18-S22 VanDerWaalsContact O-CB 3.27Å; N18-S22 WeakPolarHBondContact O-CB 3.39Å; N18-S22 PolarHBondContact O-N 3.3Å; N18-S22 PolarHBondContact O-OG 2.82Å; N18-I62 WeakPolarHBondContact OD1-CG2 3.39Å; N18-F63 PolarHBondContact ND2-O 3.38Å; N18-E64 PolarHBondContact ND2-OE2 3.44Å; N18-W130 HydrophobicContact CB-CB 4.34Å; N18-W130 VanDerWaalsContact CB-CD1 3.4Å; N18-W130 HydrophobicContact CB-CD2 3.89Å; N18-W130 HydrophobicContact CB-CG 3.66Å
19F98.1Very high94.7Very high7 Ų74 Ų43%0.0312%0.022CC..Hα-helixtrans-62.8-47.7169-93.9-93.4000112.2N15 Y16 S22 H23 V127 C129 W130 F133 P284 A288N15-F19 PolarHBondContact O-N 3.36Å; N15-F19 WeakPolarHBondContact OD1-CD2 2.95Å; N15-F19 WeakPolarHBondContact OD1-CE2 3.21Å; Y16-F19 HydrophobicContact CD2-CB 4.48Å; Y16-F19 WeakPolarHBondContact O-CB 3.15Å; Y16-F19 PolarHBondContact O-N 3.14Å; F19-S22 PolarHBondContact O-N 3.36Å; F19-H23 PolarHBondContact O-N 2.82Å; F19-V127 HydrophobicContact CE1-CG1 3.91Å; F19-V127 HydrophobicContact CZ-CG1 4.41Å; F19-C129 VanDerWaalsContact CZ-C 3.46Å; F19-W130 HydrophobicContact CD1-CB 4.49Å; F19-W130 HydrophobicContact CD2-CB 3.89Å; F19-W130 HydrophobicContact CE2-CB 4.24Å; F19-W130 HydrophobicContact CG-CB 4.04Å; F19-F133 AromaticContact CD1-CE1 3.58Å; F19-F133 HydrophobicContact CD1-CE1 3.58Å; F19-F133 AromaticContact CD1-CZ 3.89Å; F19-F133 HydrophobicContact CD1-CZ 3.89Å; F19-F133 AromaticContact CE1-CE1 3.69Å; F19-F133 HydrophobicContact CE1-CE1 3.69Å; F19-F133 HydrophobicContact CE1-CZ 4.45Å; F19-F133 HydrophobicContact CG-CE1 4.49Å; F19-P284 HydrophobicContact CD1-CB 3.93Å; F19-P284 HydrophobicContact CD2-CB 4.3Å; F19-P284 HydrophobicContact CE1-CB 3.97Å; F19-P284 HydrophobicContact CE2-CB 4.33Å; F19-P284 HydrophobicContact CG-CB 4.1Å; F19-P284 HydrophobicContact CZ-CB 4.17Å; F19-A288 HydrophobicContact CB-CB 3.72Å
20V98.4Very high93.5Very high0 Ų04.9 Ų4.90%03%0.026CC..Hα-helixtrans-62.8-47.9177.5176.10000109.7Y16 A17 S22 H23 W24 L190 C222 A288 L291 A292 L295Y16-V20 HydrophobicContact CE1-CG2 4.3Å; Y16-V20 WeakPolarHBondContact O-CG2 3.47Å; Y16-V20 PolarHBondContact O-N 3.08Å; A17-V20 PolarHBondContact O-N 3.12Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.36Å; V20-H23 PolarHBondContact O-N 2.99Å; V20-W24 WeakPolarHBondContact O-CB 3.44Å; V20-W24 PolarHBondContact O-N 3.25Å; V20-L190 HydrophobicContact CB-CD2 4.44Å; V20-L190 HydrophobicContact CG1-CD2 4.11Å; V20-C222 HydrophobicContact CG2-CB 4.45Å; V20-A288 HydrophobicContact CB-CB 4.43Å; V20-A288 HydrophobicContact CG2-CB 3.72Å; V20-L291 HydrophobicContact CG1-CB 4.2Å; V20-L291 HydrophobicContact CG2-CB 4.09Å; V20-L291 HydrophobicContact CG2-CD1 4.05Å; V20-A292 HydrophobicContact CG1-CB 4.39Å; V20-L295 HydrophobicContact CG1-CD2 4.49Å
21G98Very high92.2Very high0 Ų06.5 Ų6.50%04%0.036CC..Hα-helixtrans-55.3-45.4176.600000113.3A17 W24 W25A17-G21 PolarHBondContact O-N 2.99Å; G21-W24 WeakPolarHBondContact O-CB 3.39Å; G21-W24 PolarHBondContact O-N 3.26Å; G21-W25 VanDerWaalsContact O-CG 3.3Å; G21-W25 PolarHBondContact O-N 2.85Å
22S96.5Very high90.9Very high0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-63.6-45.3-179.1-63.90000112.4N18 F19 V20 W24 W25 N26N18-S22 VanDerWaalsContact O-CB 3.27Å; N18-S22 WeakPolarHBondContact O-CB 3.39Å; N18-S22 PolarHBondContact O-N 3.3Å; N18-S22 PolarHBondContact O-OG 2.82Å; F19-S22 PolarHBondContact O-N 3.36Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.36Å; S22-W24 VanDerWaalsContact C-N 3.3Å; S22-W24 PolarHBondContact O-N 3.25Å; S22-W25 PolarHBondContact O-N 3.4Å; S22-N26 WeakPolarHBondContact O-CB 3.24Å; S22-N26 PolarHBondContact O-N 3.08Å; S22-N26 PolarHBondContact O-ND2 3.16Å; S22-N26 PolarHBondContact O-OD1 2.79Å
23H95.5Very high89.5Confident2 Ų213.3 Ų13.31%0.0097%0.068CC..Hα-helixtrans-61.6-42.1173.3-87.1-56.1000111.8F19 V20 W25 N26 M27 F133 Y285 A289 A292 P431F19-H23 PolarHBondContact O-N 2.82Å; V20-H23 PolarHBondContact O-N 2.99Å; H23-W25 PolarHBondContact O-N 3.1Å; H23-N26 PolarHBondContact O-N 3.14Å; H23-M27 HydrophobicContact CB-CE 4.3Å; H23-M27 WeakPolarHBondContact O-CG 3.32Å; H23-M27 PolarHBondContact O-N 3.09Å; H23-F133 HydrophobicContact CB-CE2 4.41Å; H23-F133 AromaticContact CD2-CE2 3.51Å; H23-F133 AromaticContact CD2-CZ 3.65Å; H23-F133 AromaticContact CE1-CD2 3.79Å; H23-F133 AromaticContact CE1-CE2 3.48Å; H23-F133 VanDerWaalsContact CE1-CE2 3.48Å; H23-F133 WeakPolarHBondContact CE1-CE2 3.04Å; H23-F133 AromaticContact CG-CE2 3.6Å; H23-F133 AromaticContact ND1-CE2 3.6Å; H23-F133 AromaticContact NE2-CE2 3.44Å; H23-F133 WeakPolarHBondContact NE2-CE2 3.26Å; H23-F133 AromaticContact NE2-CZ 3.64Å; H23-Y285 AromaticContact CE1-CD2 3.77Å; H23-Y285 AromaticContact CE1-CE2 3.46Å; H23-Y285 VanDerWaalsContact CE1-CE2 3.46Å; H23-Y285 WeakPolarHBondContact CE1-CE2 3.13Å; H23-Y285 AromaticContact NE2-CD2 3.39Å; H23-Y285 WeakPolarHBondContact NE2-CD2 3.04Å; H23-Y285 AromaticContact NE2-CE2 3.62Å; H23-Y285 PolarHBondContact NE2-O 3.09Å; H23-A289 PolarHBondContact CD2-N 2.93Å; H23-A292 HydrophobicContact CB-CB 3.49Å; H23-A292 VanDerWaalsContact CB-CB 3.49Å; H23-P431 PolarHBondContact CE1-O 3.34Å
24W94.4Very high87.8Confident0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-61.7-43.1179.1-17643.9000112.3T10 V20 G21 S22 M27 Q28 H188 A292 L295 E296T10-W24 HydrophobicContact CG2-CZ3 3.81Å; T10-W24 WeakPolarHBondContact OG1-CZ3 3.29Å; V20-W24 WeakPolarHBondContact O-CB 3.44Å; V20-W24 PolarHBondContact O-N 3.25Å; G21-W24 WeakPolarHBondContact O-CB 3.39Å; G21-W24 PolarHBondContact O-N 3.26Å; S22-W24 VanDerWaalsContact C-N 3.3Å; S22-W24 PolarHBondContact O-N 3.25Å; W24-M27 PolarHBondContact O-N 3.08Å; W24-Q28 WeakPolarHBondContact O-CG 3.34Å; W24-Q28 PolarHBondContact O-N 2.74Å; W24-Q28 VanDerWaalsContact O-N 3.16Å; W24-Q28 PolarHBondContact O-NE2 3.45Å; W24-H188 AromaticContact CH2-ND1 3.21Å; W24-H188 WeakPolarHBondContact CH2-ND1 3.36Å; W24-H188 AromaticContact CZ2-ND1 3.79Å; W24-A292 HydrophobicContact CB-CB 4.11Å; W24-L295 HydrophobicContact CB-CD2 4.32Å; W24-L295 HydrophobicContact CD2-CD2 3.6Å; W24-L295 HydrophobicContact CD2-CG 3.96Å; W24-L295 HydrophobicContact CE3-CD2 3.91Å; W24-L295 HydrophobicContact CG-CD2 3.81Å; W24-L295 HydrophobicContact CG-CG 4.11Å; W24-L295 HydrophobicContact CZ2-CD2 4.49Å; W24-L295 HydrophobicContact CZ2-CG 4.28Å; W24-E296 VanDerWaalsContact CD1-OE2 3.31Å; W24-E296 PolarHBondContact NE1-OE2 3.23Å
25W93.6Very high86.3Confident1 Ų121.8 Ų21.80%0.00411%0.114CC..Hα-helixtrans-67.6-36.2174.9-64.9129.8000113T10 G21 S22 H23 Q28 S29 F44 P58 V60 N136T10-W25 HydrophobicContact CG2-CZ2 3.81Å; T10-W25 WeakPolarHBondContact OG1-CH2 3.47Å; T10-W25 WeakPolarHBondContact OG1-CZ2 3.39Å; G21-W25 VanDerWaalsContact O-CG 3.3Å; G21-W25 PolarHBondContact O-N 2.85Å; S22-W25 PolarHBondContact O-N 3.4Å; H23-W25 PolarHBondContact O-N 3.1Å; W25-Q28 VanDerWaalsContact CE3-NE2 3.25Å; W25-Q28 VanDerWaalsContact CZ3-NE2 3.32Å; W25-Q28 PolarHBondContact O-N 2.75Å; W25-S29 PolarHBondContact O-N 2.81Å; W25-F44 HydrophobicContact CE3-CE2 4.21Å; W25-F44 AromaticContact CE3-CZ 3.99Å; W25-F44 HydrophobicContact CE3-CZ 3.99Å; W25-F44 HydrophobicContact CZ3-CE2 4.2Å; W25-F44 HydrophobicContact CZ3-CZ 4.4Å; W25-P58 HydrophobicContact CB-CG 4.49Å; W25-P58 HydrophobicContact CD2-CB 3.76Å; W25-P58 HydrophobicContact CD2-CG 4Å; W25-P58 HydrophobicContact CE3-CB 3.74Å; W25-P58 HydrophobicContact CE3-CG 4.03Å; W25-P58 HydrophobicContact CG-CB 4.38Å; W25-P58 HydrophobicContact CG-CG 4.2Å; W25-P58 HydrophobicContact CH2-CB 4.09Å; W25-P58 HydrophobicContact CZ2-CB 4.09Å; W25-P58 HydrophobicContact CZ3-CB 3.91Å; W25-V60 HydrophobicContact CZ2-CB 3.71Å; W25-V60 HydrophobicContact CZ2-CG1 4.43Å; W25-V60 HydrophobicContact CZ2-CG2 3.9Å; W25-N136 VanDerWaalsContact CB-ND2 3.3Å; W25-N136 WeakPolarHBondContact CB-ND2 3.17Å; W25-N136 PolarHBondContact O-ND2 3.38Å; W25-N136 PolarHBondContact O-OD1 3.15Å
26N89.6Confident84.8Confident6 Ų623.8 Ų23.83%0.03214%0.135CC..Hα-helixtrans-62.2-45.8177.1-67.6-12.9000110.6S22 H23 Q28 S29 E30 F133 L135 N136 P431S22-N26 WeakPolarHBondContact O-CB 3.24Å; S22-N26 PolarHBondContact O-N 3.08Å; S22-N26 PolarHBondContact O-ND2 3.16Å; S22-N26 PolarHBondContact O-OD1 2.79Å; H23-N26 PolarHBondContact O-N 3.14Å; N26-Q28 VanDerWaalsContact C-N 3.3Å; N26-Q28 PolarHBondContact O-N 3.2Å; N26-S29 PolarHBondContact O-N 3.19Å; N26-E30 PolarHBondContact O-N 3.48Å; N26-F133 PolarHBondContact ND2-O 3.31Å; N26-L135 WeakPolarHBondContact OD1-CB 3.44Å; N26-L135 PolarHBondContact OD1-N 3.39Å; N26-N136 PolarHBondContact N-ND2 2.96Å; N26-N136 PolarHBondContact OD1-ND2 3.01Å; N26-N136 VanDerWaalsContact OD1-ND2 3.15Å; N26-P431 VanDerWaalsContact ND2-CG 3.29Å; N26-P431 WeakPolarHBondContact ND2-CG 3.35Å
27M85.3Confident83.1Confident8 Ų832 Ų324%0.03918%0.179CC..Hα-helixtrans-60-39.6175.3-65.1166.2-167.500112.2H23 W24 V31 A292 V293 E296 I426 F432H23-M27 HydrophobicContact CB-CE 4.3Å; H23-M27 WeakPolarHBondContact O-CG 3.32Å; H23-M27 PolarHBondContact O-N 3.09Å; W24-M27 PolarHBondContact O-N 3.08Å; M27-V31 WeakPolarHBondContact O-CG2 3.41Å; M27-V31 PolarHBondContact O-N 2.9Å; M27-A292 HydrophobicContact CE-CB 3.86Å; M27-A292 HydrophobicContact SD-CB 4.25Å; M27-V293 HydrophobicContact CE-CG2 3.72Å; M27-V293 HydrophobicContact SD-CG2 4.36Å; M27-E296 HydrophobicContact CB-CG 4.21Å; M27-E296 HydrophobicContact SD-CB 4.11Å; M27-E296 HydrophobicContact SD-CG 4.34Å; M27-I426 HydrophobicContact CG-CG2 4.3Å; M27-I426 HydrophobicContact SD-CG2 4.14Å; M27-F432 HydrophobicContact CE-CD2 3.68Å; M27-F432 HydrophobicContact CE-CE2 3.54Å
28Q85.2Confident81.8Confident5 Ų535 Ų352%0.02320%0.203CC..Hα-helixtrans-73.1-36.3-180-72179.670.700113.6W24 W25 N26 E30 V31 N32 S43 F44 E296W24-Q28 WeakPolarHBondContact O-CG 3.34Å; W24-Q28 PolarHBondContact O-N 2.74Å; W24-Q28 VanDerWaalsContact O-N 3.16Å; W24-Q28 PolarHBondContact O-NE2 3.45Å; W25-Q28 VanDerWaalsContact CE3-NE2 3.25Å; W25-Q28 VanDerWaalsContact CZ3-NE2 3.32Å; W25-Q28 PolarHBondContact O-N 2.75Å; N26-Q28 VanDerWaalsContact C-N 3.3Å; N26-Q28 PolarHBondContact O-N 3.2Å; Q28-E30 VanDerWaalsContact C-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.13Å; Q28-V31 WeakPolarHBondContact O-CB 3.45Å; Q28-V31 PolarHBondContact O-N 2.94Å; Q28-N32 PolarHBondContact O-N 3.18Å; Q28-S43 PolarHBondContact OE1-OG 2.83Å; Q28-F44 HydrophobicContact CB-CE2 3.68Å; Q28-F44 HydrophobicContact CB-CZ 3.78Å; Q28-E296 VanDerWaalsContact CG-OE2 3.25Å; Q28-E296 WeakPolarHBondContact CG-OE2 3.47Å
29S80.9Confident80.4Confident21 Ų2136.7 Ų36.715%0.14721%0.214CC..Hα-helixtrans-56.9-43.7174.7-88.60000111.1W25 N26 V31 N32 E33 N136W25-S29 PolarHBondContact O-N 2.81Å; N26-S29 PolarHBondContact O-N 3.19Å; S29-V31 VanDerWaalsContact C-N 3.35Å; S29-V31 PolarHBondContact O-N 2.9Å; S29-N32 WeakPolarHBondContact O-CB 3.41Å; S29-N32 PolarHBondContact O-N 3.3Å; S29-N32 VanDerWaalsContact O-N 3.08Å; S29-E33 PolarHBondContact O-N 2.79Å; S29-N136 VanDerWaalsContact OG-CG 3.25Å; S29-N136 PolarHBondContact OG-ND2 2.88Å; S29-N136 PolarHBondContact OG-OD1 3.33Å
30E72.5Confident79.3Confident21 Ų2137.5 Ų37.510%0.09822%0.219CC..Hα-helixtrans-66-37.5177.8-64.2-179.1130.800112.2N26 Q28 N32 E33 V34 S427 R429N26-E30 PolarHBondContact O-N 3.48Å; Q28-E30 VanDerWaalsContact C-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.13Å; E30-N32 PolarHBondContact O-N 3.39Å; E30-E33 PolarHBondContact O-N 2.9Å; E30-V34 VanDerWaalsContact O-CG2 3.29Å; E30-V34 WeakPolarHBondContact O-CG2 3.21Å; E30-V34 PolarHBondContact O-N 2.63Å; E30-S427 PolarHBondContact OE1-OG 3.33Å; E30-S427 WeakPolarHBondContact OE2-CB 3.47Å; E30-S427 PolarHBondContact OE2-OG 3.3Å; E30-R429 VanDerWaalsContact OE1-CB 3.26Å; E30-R429 WeakPolarHBondContact OE1-CB 3Å
31V70.4Confident78.2Confident35 Ų3539.5 Ų39.521%0.21223%0.231CC..Hα-helixtrans-60-38.5172.2172.60000110.9M27 Q28 S29 V34 K35M27-V31 WeakPolarHBondContact O-CG2 3.41Å; M27-V31 PolarHBondContact O-N 2.9Å; Q28-V31 WeakPolarHBondContact O-CB 3.45Å; Q28-V31 PolarHBondContact O-N 2.94Å; S29-V31 VanDerWaalsContact C-N 3.35Å; S29-V31 PolarHBondContact O-N 2.9Å; V31-V34 PolarHBondContact O-N 3.25Å; V31-K35 HydrophobicContact CG1-CD 3.93Å; V31-K35 HydrophobicContact CG1-CG 4.37Å; V31-K35 VanDerWaalsContact O-CB 3.32Å; V31-K35 WeakPolarHBondContact O-CB 3.35Å; V31-K35 VanDerWaalsContact O-CG 3.29Å; V31-K35 WeakPolarHBondContact O-CG 3.16Å; V31-K35 PolarHBondContact O-N 3.18Å
32N73Confident77.6Confident10 Ų1040.1 Ų40.15%0.05324%0.236CC..Hα-helixtrans-72.2-36.1177.8-76-25.4000113.1Q28 S29 E30 V34 K35 A36 P39 D40 F44 L56Q28-N32 PolarHBondContact O-N 3.18Å; S29-N32 WeakPolarHBondContact O-CB 3.41Å; S29-N32 PolarHBondContact O-N 3.3Å; S29-N32 VanDerWaalsContact O-N 3.08Å; E30-N32 PolarHBondContact O-N 3.39Å; N32-V34 VanDerWaalsContact C-N 3.34Å; N32-K35 CarbonylContact O-C 3.23Å; N32-K35 PolarHBondContact O-N 3.26Å; N32-A36 PolarHBondContact O-N 3.44Å; N32-P39 HydrophobicContact CB-CB 4.48Å; N32-D40 WeakPolarHBondContact OD1-CB 3.26Å; N32-D40 PolarHBondContact OD1-N 3.49Å; N32-F44 WeakPolarHBondContact ND2-CD2 3.19Å; N32-F44 VanDerWaalsContact ND2-CE2 3.34Å; N32-F44 WeakPolarHBondContact ND2-CE2 3.36Å; N32-L56 HydrophobicContact CB-CD1 4.26Å
33E69.2Low77.2Confident133 Ų13340.1 Ų40.162%0.62124%0.237SC*.Hα-helixtrans-60.8-43.4171.7-72.2178.8-179.100111.2S29 E30 A36S29-E33 PolarHBondContact O-N 2.79Å; E30-E33 PolarHBondContact O-N 2.9Å; E33-A36 PolarHBondContact O-N 2.66Å
34V60.2Low77Confident109 Ų10940.1 Ų40.166%0.66124%0.237SC*.Hα-helixtrans-67.3-39.6176.1176.70000111.7E30 V31 N32 A36E30-V34 VanDerWaalsContact O-CG2 3.29Å; E30-V34 WeakPolarHBondContact O-CG2 3.21Å; E30-V34 PolarHBondContact O-N 2.63Å; V31-V34 PolarHBondContact O-N 3.25Å; N32-V34 VanDerWaalsContact C-N 3.34Å; V34-A36 PolarHBondContact O-N 3.06Å
35K63.4Low76.8Confident69 Ų6941.9 Ų41.930%0.324%0.243SC..THydrogen-bonded Turntrans-84.224.2179.6-69.9-177.5179.6179.40113.3V31 N32 N37 A38V31-K35 HydrophobicContact CG1-CD 3.93Å; V31-K35 HydrophobicContact CG1-CG 4.37Å; V31-K35 VanDerWaalsContact O-CB 3.32Å; V31-K35 WeakPolarHBondContact O-CB 3.35Å; V31-K35 VanDerWaalsContact O-CG 3.29Å; V31-K35 WeakPolarHBondContact O-CG 3.16Å; V31-K35 PolarHBondContact O-N 3.18Å; N32-K35 CarbonylContact O-C 3.23Å; N32-K35 PolarHBondContact O-N 3.26Å; K35-N37 PolarHBondContact O-N 2.84Å; K35-A38 CarbonylContact O-C 3.58Å; K35-A38 VanDerWaalsContact O-C 3.24Å; K35-A38 WeakPolarHBondContact O-CA 3.38Å; K35-A38 PolarHBondContact O-N 3.06Å
36A63Low76.3Confident73 Ų7347 Ų4760%0.60327%0.267SS*.THydrogen-bonded Turntrans-36.1-37.2-169.500000117N32 E33 V34N32-A36 PolarHBondContact O-N 3.44Å; E33-A36 PolarHBondContact O-N 2.66Å; V34-A36 PolarHBondContact O-N 3.06Å
37N61.4Low75.8Confident171 Ų17147.8 Ų47.891%0.91428%0.276SS*.THydrogen-bonded Turntrans-81.9-14.5179.4-63.1-27.9000115.7K35K35-N37 PolarHBondContact O-N 2.84Å
38A70.4Confident75.2Confident63 Ų6353.8 Ų53.852%0.52131%0.309SS..SBendtrans-151.166.8-178.600000111.1K35K35-A38 CarbonylContact O-C 3.58Å; K35-A38 VanDerWaalsContact O-C 3.24Å; K35-A38 WeakPolarHBondContact O-CA 3.38Å; K35-A38 PolarHBondContact O-N 3.06Å
39P70.4Confident74.4Confident36 Ų3656.3 Ų56.323%0.23432%0.322CS..  trans-63.6158.8-179.527.6-35000112.5N32 V41 L56N32-P39 HydrophobicContact CB-CB 4.48Å; P39-V41 HydrophobicContact CG-CG1 4.31Å; P39-V41 PolarHBondContact O-N 3.39Å; P39-L56 HydrophobicContact CB-CD1 3.66Å; P39-L56 HydrophobicContact CG-CD1 4.21Å
40D73.9Confident73.6Confident25 Ų2566 Ų6613%0.13436%0.356CS..  trans-69.689.4171.217912.1000110.9N32 A42 S43 F44N32-D40 WeakPolarHBondContact OD1-CB 3.26Å; N32-D40 PolarHBondContact OD1-N 3.49Å; D40-A42 VanDerWaalsContact C-N 3.26Å; D40-A42 PolarHBondContact O-N 3.48Å; D40-A42 WeakPolarHBondContact OD1-CA 3.43Å; D40-A42 VanDerWaalsContact OD1-CB 3.28Å; D40-A42 WeakPolarHBondContact OD1-CB 3.39Å; D40-A42 PolarHBondContact OD1-N 3.34Å; D40-S43 PolarHBondContact OD1-N 3.14Å; D40-S43 VanDerWaalsContact OD2-CB 3.27Å; D40-S43 WeakPolarHBondContact OD2-CB 3.22Å; D40-S43 PolarHBondContact OD2-OG 2.83Å; D40-F44 WeakPolarHBondContact O-CB 3.5Å; D40-F44 PolarHBondContact O-N 3.36Å
41V75.9Confident73.2Confident42 Ų4273.1 Ų73.126%0.25539%0.389SS..THydrogen-bonded Turntrans-81.4-0.3174.4-65.20000113.7P39 F44P39-V41 HydrophobicContact CG-CG1 4.31Å; P39-V41 PolarHBondContact O-N 3.39Å; V41-F44 CarbonylContact C-O 3.6Å
42A84.3Confident72.8Confident12 Ų1274.7 Ų74.710%0.09941%0.412CS..THydrogen-bonded Turntrans-79.7-49.7173.400000110.5L8 D40L8-A42 PolarHBondContact N-O 2.84Å; D40-A42 VanDerWaalsContact C-N 3.26Å; D40-A42 PolarHBondContact O-N 3.48Å; D40-A42 WeakPolarHBondContact OD1-CA 3.43Å; D40-A42 VanDerWaalsContact OD1-CB 3.28Å; D40-A42 WeakPolarHBondContact OD1-CB 3.39Å; D40-A42 PolarHBondContact OD1-N 3.34Å
43S89.7Confident72.7Confident1 Ų175.6 Ų75.61%0.00742%0.424CS..THydrogen-bonded Turntrans-87.2-20.8179.7-39.90000113.3Q28 D40 R59 K303Q28-S43 PolarHBondContact OE1-OG 2.83Å; D40-S43 PolarHBondContact OD1-N 3.14Å; D40-S43 VanDerWaalsContact OD2-CB 3.27Å; D40-S43 WeakPolarHBondContact OD2-CB 3.22Å; D40-S43 PolarHBondContact OD2-OG 2.83Å; S43-R59 PolarHBondContact O-N 2.71Å; S43-K303 WeakPolarHBondContact OG-CE 3.29Å; S43-K303 PolarHBondContact OG-NZ 3.1Å
44F90.6Very high73.1Confident2 Ų272.9 Ų72.91%0.00942%0.416CS..EExtended strand (participates in β ladder)trans-113.3152179.3-67.8-109.9000111.2W25 Q28 N32 D40 V41 L56 S57 P58 R59W25-F44 HydrophobicContact CE3-CE2 4.21Å; W25-F44 AromaticContact CE3-CZ 3.99Å; W25-F44 HydrophobicContact CE3-CZ 3.99Å; W25-F44 HydrophobicContact CZ3-CE2 4.2Å; W25-F44 HydrophobicContact CZ3-CZ 4.4Å; Q28-F44 HydrophobicContact CB-CE2 3.68Å; Q28-F44 HydrophobicContact CB-CZ 3.78Å; N32-F44 WeakPolarHBondContact ND2-CD2 3.19Å; N32-F44 VanDerWaalsContact ND2-CE2 3.34Å; N32-F44 WeakPolarHBondContact ND2-CE2 3.36Å; D40-F44 WeakPolarHBondContact O-CB 3.5Å; D40-F44 PolarHBondContact O-N 3.36Å; V41-F44 CarbonylContact C-O 3.6Å; F44-L56 HydrophobicContact CB-CD2 4.47Å; F44-L56 HydrophobicContact CD1-CB 4.2Å; F44-S57 CarbonylContact C-O 3.47Å; F44-S57 VanDerWaalsContact CA-O 3.32Å; F44-S57 WeakPolarHBondContact CA-O 3.5Å; F44-P58 HydrophobicContact CD1-CG 4.21Å; F44-P58 HydrophobicContact CE1-CB 4.39Å; F44-P58 HydrophobicContact CE1-CG 3.7Å; F44-P58 HydrophobicContact CZ-CG 4.27Å; F44-R59 PolarHBondContact O-NE 2.73Å; F44-R59 PolarHBondContact O-NH2 3.31Å
45R89.1Confident74.1Confident36 Ų3668.9 Ų68.914%0.13639%0.392CS..EExtended strand (participates in β ladder)trans-100.5140.3166.768.7-170.9-63.3-101.5-4.4110.3L56 S57 R59 H139 E180R45-L56 WeakPolarHBondContact O-CA 3.42Å; R45-S57 WeakPolarHBondContact CG-O 3.45Å; R45-S57 PolarHBondContact N-O 3.26Å; R45-S57 PolarHBondContact O-N 3.23Å; R45-R59 HydrophobicContact CB-CG 3.97Å; R45-R59 VanDerWaalsContact CB-CZ 3.4Å; R45-R59 VanDerWaalsContact CB-NH1 3.31Å; R45-H139 PolarHBondContact NH1-CD2 2.58Å; R45-H139 VanDerWaalsContact NH1-CG 3.34Å; R45-H139 PolarHBondContact NH1-NE2 3.02Å; R45-E180 WeakPolarHBondContact CD-OE1 3.44Å; R45-E180 IonicContact CZ-OE2 3.96Å; R45-E180 IonicContact NE-OE1 3.14Å; R45-E180 PolarHBondContact NE-OE1 3.2Å; R45-E180 VanDerWaalsContact NE-OE1 3.08Å; R45-E180 IonicContact NE-OE2 3.81Å; R45-E180 PolarHBondContact NE-OE2 3.03Å; R45-E180 IonicContact NH2-OE2 2.63Å; R45-E180 PolarHBondContact NH2-OE2 3.33Å
46Q84.1Confident75.1Confident109 Ų10968 Ų6851%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-91.6120169.1176.4162.514.600108T54 L56Q46-T54 HydrophobicContact CG-CG2 3.63Å; Q46-T54 VanDerWaalsContact NE2-CG2 3.35Å; Q46-T54 PolarHBondContact NE2-OG1 3.48Å; Q46-L56 HydrophobicContact CB-CD2 4.14Å
47G79Confident76.4Confident22 Ų2264.7 Ų64.723%0.22736%0.363CS..EExtended strand (participates in β ladder)trans-121.8168.1169.100000110.5T54 V55G47-T54 CarbonylContact O-C 3.58Å; G47-T54 WeakPolarHBondContact O-CA 3.32Å; G47-V55 PolarHBondContact N-O 2.98Å; G47-V55 PolarHBondContact O-N 2.81Å
48D72.3Confident78Confident135 Ų13556.5 Ų56.572%0.72232%0.319SS*.EExtended strand (participates in β ladder)trans-101.3136.9176.2-60.6-39.3000110.2
49N68Low79.2Confident57 Ų5755 Ų5531%0.30530%0.3SS..  trans-84.1164.5165.370.833.5000110.5Q51 G52 G53 V55N49-Q51 PolarHBondContact O-N 3.11Å; N49-Q51 VanDerWaalsContact OD1-C 3.28Å; N49-Q51 VanDerWaalsContact OD1-CA 3.29Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.38Å; N49-Q51 PolarHBondContact OD1-N 2.92Å; N49-G52 PolarHBondContact O-N 2.87Å; N49-G52 PolarHBondContact OD1-N 2.94Å; N49-G52 VanDerWaalsContact OD1-N 3.08Å; N49-G53 PolarHBondContact N-O 2.72Å; N49-G53 PolarHBondContact ND2-O 2.9Å; N49-G53 WeakPolarHBondContact OD1-CA 3.48Å; N49-G53 PolarHBondContact OD1-N 2.82Å; N49-G53 PolarHBondContact OD1-O 3.01Å; N49-V55 HydrophobicContact CB-CG2 3.73Å
50R64.1Low80.5Confident225 Ų22553.2 Ų53.285%0.84929%0.289SS*.THydrogen-bonded Turntrans-61.7-15.3178.9-67-175.9177.7-176.7-0.9114.2G52R50-G52 VanDerWaalsContact C-N 3.35Å
51Q64.7Low81.6Confident171 Ų17152 Ų5280%0.79928%0.282SS*.THydrogen-bonded Turntrans-93.36.2177.8-61.9-179.5-7.300112.3N49 G53N49-Q51 PolarHBondContact O-N 3.11Å; N49-Q51 VanDerWaalsContact OD1-C 3.28Å; N49-Q51 VanDerWaalsContact OD1-CA 3.29Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.38Å; N49-Q51 PolarHBondContact OD1-N 2.92Å; Q51-G53 VanDerWaalsContact C-N 3.26Å; Q51-G53 PolarHBondContact O-N 2.8Å
52G62.1Low82.7Confident67 Ų6750.1 Ų50.169%0.69127%0.27SS*.SBendtrans77.67.2-178.900000114.4N49 R50N49-G52 PolarHBondContact O-N 2.87Å; N49-G52 PolarHBondContact OD1-N 2.94Å; N49-G52 VanDerWaalsContact OD1-N 3.08Å; R50-G52 VanDerWaalsContact C-N 3.35Å
53G71.8Confident83.3Confident29 Ų2949.5 Ų49.530%0.29927%0.266SS..  trans-84.2143.7172.900000111.7N49 Q51N49-G53 PolarHBondContact N-O 2.72Å; N49-G53 PolarHBondContact ND2-O 2.9Å; N49-G53 WeakPolarHBondContact OD1-CA 3.48Å; N49-G53 PolarHBondContact OD1-N 2.82Å; N49-G53 PolarHBondContact OD1-O 3.01Å; Q51-G53 VanDerWaalsContact C-N 3.26Å; Q51-G53 PolarHBondContact O-N 2.8Å
54T76.6Confident83.5Confident77 Ų7749.5 Ų49.547%0.47227%0.265SS..EExtended strand (participates in β ladder)trans-70.4134171-76.30000110.9Q46 G47Q46-T54 HydrophobicContact CG-CG2 3.63Å; Q46-T54 VanDerWaalsContact NE2-CG2 3.35Å; Q46-T54 PolarHBondContact NE2-OG1 3.48Å; G47-T54 CarbonylContact O-C 3.58Å; G47-T54 WeakPolarHBondContact O-CA 3.32Å
55V80.8Confident83.5Confident24 Ų2450 Ų5015%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-116.3127.4170.5178.10000108.8G47 N49 S76 L137G47-V55 PolarHBondContact N-O 2.98Å; G47-V55 PolarHBondContact O-N 2.81Å; N49-V55 HydrophobicContact CB-CG2 3.73Å; V55-S76 WeakPolarHBondContact CG1-OG 3.31Å; V55-L137 HydrophobicContact CG1-CB 4.42Å; V55-L137 HydrophobicContact CG1-CD1 3.97Å
56L85.7Confident83.6Confident51 Ų5153 Ų5327%0.26728%0.282SS..EExtended strand (participates in β ladder)trans-93.3127170.4-66.2174.2000109.4N32 P39 F44 R45 Q46N32-L56 HydrophobicContact CB-CD1 4.26Å; P39-L56 HydrophobicContact CB-CD1 3.66Å; P39-L56 HydrophobicContact CG-CD1 4.21Å; F44-L56 HydrophobicContact CB-CD2 4.47Å; F44-L56 HydrophobicContact CD1-CB 4.2Å; R45-L56 WeakPolarHBondContact O-CA 3.42Å; Q46-L56 HydrophobicContact CB-CD2 4.14Å
57S90.2Very high83.7Confident3 Ų350.7 Ų50.72%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-125.4140.7174.9-69.70000110.1F44 R45 R59 S76 L137F44-S57 CarbonylContact C-O 3.47Å; F44-S57 VanDerWaalsContact CA-O 3.32Å; F44-S57 WeakPolarHBondContact CA-O 3.5Å; R45-S57 WeakPolarHBondContact CG-O 3.45Å; R45-S57 PolarHBondContact N-O 3.26Å; R45-S57 PolarHBondContact O-N 3.23Å; S57-R59 PolarHBondContact O-N 3.06Å; S57-S76 PolarHBondContact OG-OG 3.09Å; S57-L137 VanDerWaalsContact CA-O 3.31Å; S57-L137 WeakPolarHBondContact CA-O 3.28Å; S57-L137 WeakPolarHBondContact CB-O 3.5Å; S57-L137 PolarHBondContact OG-O 3.39Å
58P94.5Very high84.2Confident0 Ų051.4 Ų51.40%028%0.28CS..EExtended strand (participates in β ladder)trans-57.1138.2173.2-25.734.6000112.1W25 F44 V60 N136 F138W25-P58 HydrophobicContact CB-CG 4.49Å; W25-P58 HydrophobicContact CD2-CB 3.76Å; W25-P58 HydrophobicContact CD2-CG 4Å; W25-P58 HydrophobicContact CE3-CB 3.74Å; W25-P58 HydrophobicContact CE3-CG 4.03Å; W25-P58 HydrophobicContact CG-CB 4.38Å; W25-P58 HydrophobicContact CG-CG 4.2Å; W25-P58 HydrophobicContact CH2-CB 4.09Å; W25-P58 HydrophobicContact CZ2-CB 4.09Å; W25-P58 HydrophobicContact CZ3-CB 3.91Å; F44-P58 HydrophobicContact CD1-CG 4.21Å; F44-P58 HydrophobicContact CE1-CB 4.39Å; F44-P58 HydrophobicContact CE1-CG 3.7Å; F44-P58 HydrophobicContact CZ-CG 4.27Å; P58-V60 VanDerWaalsContact C-N 3.31Å; P58-V60 HydrophobicContact CB-CB 4.36Å; P58-V60 HydrophobicContact CB-CG1 3.84Å; P58-V60 PolarHBondContact O-N 2.95Å; P58-V60 VanDerWaalsContact O-N 3.09Å; P58-N136 HydrophobicContact CG-CB 3.91Å; P58-N136 WeakPolarHBondContact CG-OD1 3.5Å; P58-F138 HydrophobicContact CG-CD1 4.35Å; P58-F138 HydrophobicContact CG-CE1 4.16Å
59R94.6Very high84.9Confident30 Ų3045.2 Ų45.211%0.11325%0.247CC..  trans-80.584.5166.4-77.6-174.8-141.9-903.9109.1L8 T10 S43 F44 R45 S57 F177 E180L8-R59 WeakPolarHBondContact O-CB 3.43Å; T10-R59 PolarHBondContact N-O 2.86Å; S43-R59 PolarHBondContact O-N 2.71Å; F44-R59 PolarHBondContact O-NE 2.73Å; F44-R59 PolarHBondContact O-NH2 3.31Å; R45-R59 HydrophobicContact CB-CG 3.97Å; R45-R59 VanDerWaalsContact CB-CZ 3.4Å; R45-R59 VanDerWaalsContact CB-NH1 3.31Å; S57-R59 PolarHBondContact O-N 3.06Å; R59-F177 HydrophobicContact CB-CD1 4.4Å; R59-F177 HydrophobicContact CG-CD1 4.17Å; R59-E180 IonicContact CZ-OE1 3.3Å; R59-E180 IonicContact NH1-OE1 3.13Å; R59-E180 PolarHBondContact NH1-OE1 2.82Å; R59-E180 IonicContact NH1-OE2 2.63Å
60V97.7Very high85.6Confident0 Ų043.8 Ų43.80%024%0.241CC..EExtended strand (participates in β ladder)trans-139.9142.5-175.667.90000111.1T10 Q12 W25 P58 I62 F138 S142 F177T10-V60 HydrophobicContact CG2-CG2 4.04Å; T10-V60 CarbonylContact O-C 3.46Å; T10-V60 WeakPolarHBondContact O-CA 3.37Å; T10-V60 WeakPolarHBondContact O-CG2 3.47Å; Q12-V60 HydrophobicContact CG-CG2 3.85Å; W25-V60 HydrophobicContact CZ2-CB 3.71Å; W25-V60 HydrophobicContact CZ2-CG1 4.43Å; W25-V60 HydrophobicContact CZ2-CG2 3.9Å; P58-V60 VanDerWaalsContact C-N 3.31Å; P58-V60 HydrophobicContact CB-CB 4.36Å; P58-V60 HydrophobicContact CB-CG1 3.84Å; P58-V60 PolarHBondContact O-N 2.95Å; P58-V60 VanDerWaalsContact O-N 3.09Å; V60-I62 HydrophobicContact CB-CG1 4.47Å; V60-I62 HydrophobicContact CG1-CD1 4.05Å; V60-I62 HydrophobicContact CG1-CG1 4.03Å; V60-I62 HydrophobicContact CG2-CD1 4.29Å; V60-I62 HydrophobicContact CG2-CG1 3.64Å; V60-F138 HydrophobicContact CG1-CD1 3.74Å; V60-F138 HydrophobicContact CG1-CE1 3.85Å; V60-S142 WeakPolarHBondContact O-CA 3.25Å; V60-S142 WeakPolarHBondContact O-CB 3.49Å; V60-S142 PolarHBondContact O-OG 2.8Å; V60-S142 VanDerWaalsContact O-OG 3.11Å; V60-F177 WeakPolarHBondContact O-CE2 3.23Å; V60-F177 WeakPolarHBondContact O-CZ 3.38Å
61V98.3Very high86.4Confident0 Ų034.6 Ų34.60%021%0.207CC..EExtended strand (participates in β ladder)trans-113.9121.7161.6-172.80000108.4L9 T10 V11 Q12 F63 S142 H173 I174 F177L9-V61 HydrophobicContact CD1-CG2 4.38Å; T10-V61 PolarHBondContact O-N 2.93Å; V11-V61 WeakPolarHBondContact CA-O 3.47Å; Q12-V61 PolarHBondContact N-O 2.66Å; V61-F63 HydrophobicContact CB-CE2 4.25Å; V61-F63 HydrophobicContact CB-CZ 4.43Å; V61-F63 HydrophobicContact CG1-CD2 4.32Å; V61-F63 HydrophobicContact CG1-CE1 4Å; V61-F63 HydrophobicContact CG1-CE2 3.6Å; V61-F63 HydrophobicContact CG1-CZ 3.4Å; V61-S142 CarbonylContact C-O 3.36Å; V61-S142 WeakPolarHBondContact CA-O 3.29Å; V61-H173 HydrophobicContact CG1-CB 4.14Å; V61-I174 HydrophobicContact CG2-CG1 4.24Å; V61-F177 HydrophobicContact CG2-CD2 3.56Å; V61-F177 HydrophobicContact CG2-CE2 3.74Å
62I98.3Very high87.2Confident1 Ų132.1 Ų32.11%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-112.6118.7-174.4-56.4179.3000107.3Q12 N18 V60 W130 F138 S142 L143 F144Q12-I62 HydrophobicContact CB-CG1 4.42Å; N18-I62 WeakPolarHBondContact OD1-CG2 3.39Å; V60-I62 HydrophobicContact CB-CG1 4.47Å; V60-I62 HydrophobicContact CG1-CD1 4.05Å; V60-I62 HydrophobicContact CG1-CG1 4.03Å; V60-I62 HydrophobicContact CG2-CD1 4.29Å; V60-I62 HydrophobicContact CG2-CG1 3.64Å; I62-W130 HydrophobicContact CD1-CH2 4.01Å; I62-W130 HydrophobicContact CD1-CZ3 4.26Å; I62-W130 HydrophobicContact CG2-CH2 4.05Å; I62-W130 HydrophobicContact CG2-CZ2 3.86Å; I62-F138 HydrophobicContact CD1-CD1 4.05Å; I62-F138 HydrophobicContact CD1-CE1 3.66Å; I62-F138 HydrophobicContact CD1-CZ 4.19Å; I62-S142 WeakPolarHBondContact CB-O 3.32Å; I62-S142 PolarHBondContact N-O 3.48Å; I62-L143 HydrophobicContact CB-CD1 4.01Å; I62-L143 HydrophobicContact CG2-CD1 3.87Å; I62-F144 PolarHBondContact O-N 3Å
63F96.3Very high88Confident0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-103.1124.7174-59.1-80.1000109V11 Q12 V13 G14 N18 V61 F144 F146 I170 I174 L197 M200 L204V11-F63 HydrophobicContact CG1-CD2 4.11Å; V11-F63 HydrophobicContact CG1-CE2 3.8Å; Q12-F63 PolarHBondContact O-N 3Å; V13-F63 HydrophobicContact CG1-CB 4.49Å; V13-F63 HydrophobicContact CG2-CD2 3.93Å; G14-F63 PolarHBondContact N-O 3.03Å; N18-F63 PolarHBondContact ND2-O 3.38Å; V61-F63 HydrophobicContact CB-CE2 4.25Å; V61-F63 HydrophobicContact CB-CZ 4.43Å; V61-F63 HydrophobicContact CG1-CD2 4.32Å; V61-F63 HydrophobicContact CG1-CE1 4Å; V61-F63 HydrophobicContact CG1-CE2 3.6Å; V61-F63 HydrophobicContact CG1-CZ 3.4Å; F63-F144 HydrophobicContact CD1-CB 3.67Å; F63-F144 HydrophobicContact CD1-CD1 4.07Å; F63-F144 HydrophobicContact CD1-CG 4.02Å; F63-F144 HydrophobicContact CE1-CB 3.83Å; F63-F144 HydrophobicContact CE1-CD1 4.43Å; F63-F144 HydrophobicContact CE1-CG 4.06Å; F63-F146 HydrophobicContact CB-CE2 4.49Å; F63-F146 HydrophobicContact CD1-CE2 4.08Å; F63-I170 HydrophobicContact CE1-CB 4.37Å; F63-I170 HydrophobicContact CE1-CG1 3.95Å; F63-I170 HydrophobicContact CE1-CG2 3.85Å; F63-I170 HydrophobicContact CZ-CG2 3.8Å; F63-I174 HydrophobicContact CZ-CD1 4.42Å; F63-L197 HydrophobicContact CB-CD1 4.42Å; F63-M200 HydrophobicContact CD1-CE 4.19Å; F63-M200 HydrophobicContact CG-CE 4.49Å; F63-L204 HydrophobicContact CD2-CD1 3.96Å; F63-L204 HydrophobicContact CE2-CD1 3.79Å; F63-L204 HydrophobicContact CE2-CD2 4.22Å; F63-L204 HydrophobicContact CZ-CD1 4.35Å; F63-L204 HydrophobicContact CZ-CD2 4.08Å
64E94.1Very high88.2Confident0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-150.6154.2-175.7-173.557.2-81.400112.2N15 N18 N68 V69 W130 F144 L145 F146N15-E64 WeakPolarHBondContact CA-OE2 3.36Å; N18-E64 PolarHBondContact ND2-OE2 3.44Å; E64-N68 HydrophobicContact CG-CB 3.85Å; E64-N68 VanDerWaalsContact OE1-CB 3.29Å; E64-N68 WeakPolarHBondContact OE1-CB 3.49Å; E64-N68 PolarHBondContact OE1-ND2 2.84Å; E64-V69 HydrophobicContact CB-CG2 4.3Å; E64-V69 HydrophobicContact CG-CG2 3.49Å; E64-V69 VanDerWaalsContact CG-CG2 3.49Å; E64-W130 PolarHBondContact OE2-NE1 3.17Å; E64-W130 VanDerWaalsContact OE2-NE1 3.09Å; E64-F144 PolarHBondContact N-O 2.78Å; E64-F144 VanDerWaalsContact N-O 3.12Å; E64-L145 HydrophobicContact CB-CD2 4.03Å; E64-L145 CarbonylContact O-C 3.58Å; E64-L145 VanDerWaalsContact O-CA 3.29Å; E64-L145 WeakPolarHBondContact O-CA 2.86Å; E64-F146 PolarHBondContact O-N 3.13Å
65E91.8Very high87.9Confident13 Ų1327.9 Ų27.96%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-80.5141.3170.2-64.2170.491.700110.9A67 N68 N196 L197E65-A67 PolarHBondContact O-N 2.87Å; E65-N68 WeakPolarHBondContact O-CB 3.43Å; E65-N68 PolarHBondContact O-N 2.94Å; E65-N68 PolarHBondContact OE2-ND2 2.87Å; E65-N196 WeakPolarHBondContact OE1-CB 3.48Å; E65-N196 PolarHBondContact OE1-ND2 3.36Å; E65-N196 WeakPolarHBondContact OE2-CB 3.45Å; E65-L197 HydrophobicContact CG-CD1 4.19Å; E65-L197 HydrophobicContact CG-CD2 3.95Å; E65-L197 HydrophobicContact CG-CG 3.94Å
66K89.8Confident87.2Confident99 Ų9927.8 Ų27.843%0.4315%0.151SC..G310 helixtrans-55.4-36.2178.4-75.2172-173.2168.40112.6N68 V69 L145 F146 S147K66-N68 PolarHBondContact O-N 2.9Å; K66-V69 PolarHBondContact O-N 3.32Å; K66-L145 HydrophobicContact CG-CB 3.88Å; K66-L145 HydrophobicContact CG-CD1 4.28Å; K66-F146 WeakPolarHBondContact CG-O 3.28Å; K66-F146 PolarHBondContact N-O 3.49Å; K66-S147 PolarHBondContact NZ-OG 3.36Å
67A87.3Confident85.8Confident60 Ų6028.3 Ų28.350%0.49617%0.169SC..G310 helixtrans-60-28.2175.500000114.2E65 V69 D148E65-A67 PolarHBondContact O-N 2.87Å; A67-V69 VanDerWaalsContact C-N 3.27Å; A67-V69 PolarHBondContact O-N 3.33Å; A67-D148 VanDerWaalsContact CB-OD1 3.25Å; A67-D148 WeakPolarHBondContact CB-OD1 3.44Å; A67-D148 PolarHBondContact N-OD1 2.66Å
68N89.4Confident83.8Confident38 Ų3834.8 Ų34.820%0.20320%0.199CC..G310 helixtrans-87.34.8-175.8-68.1-28.9000113.2N15 E64 E65 K66 C129N15-N68 WeakPolarHBondContact ND2-CB 3.37Å; N15-N68 PolarHBondContact ND2-OD1 3.02Å; N15-N68 VanDerWaalsContact ND2-OD1 3.14Å; E64-N68 HydrophobicContact CG-CB 3.85Å; E64-N68 VanDerWaalsContact OE1-CB 3.29Å; E64-N68 WeakPolarHBondContact OE1-CB 3.49Å; E64-N68 PolarHBondContact OE1-ND2 2.84Å; E65-N68 WeakPolarHBondContact O-CB 3.43Å; E65-N68 PolarHBondContact O-N 2.94Å; E65-N68 PolarHBondContact OE2-ND2 2.87Å; K66-N68 PolarHBondContact O-N 2.9Å; N68-C129 WeakPolarHBondContact O-CB 3.34Å
69V87.2Confident81.3Confident5 Ų541.8 Ų41.83%0.0323%0.231CC..  trans-125.4111.4-175.6178.40000109.4E64 K66 A67 R71 Q98 W130 T131 L145E64-V69 HydrophobicContact CB-CG2 4.3Å; E64-V69 HydrophobicContact CG-CG2 3.49Å; E64-V69 VanDerWaalsContact CG-CG2 3.49Å; K66-V69 PolarHBondContact O-N 3.32Å; A67-V69 VanDerWaalsContact C-N 3.27Å; A67-V69 PolarHBondContact O-N 3.33Å; V69-R71 VanDerWaalsContact C-N 3.34Å; V69-R71 WeakPolarHBondContact CG1-O 3.29Å; V69-Q98 PolarHBondContact O-NE2 2.95Å; V69-W130 HydrophobicContact CG2-CZ2 4.26Å; V69-T131 HydrophobicContact CG1-CG2 3.92Å; V69-L145 HydrophobicContact CG2-CD2 3.95Å
70S81.3Confident78.7Confident27 Ų2746 Ų4619%0.18926%0.256CS..SBendtrans-74.5-27179.872.20000112.9F101 C129 T131 D132S70-F101 WeakPolarHBondContact OG-CD2 3.15Å; S70-F101 VanDerWaalsContact OG-CE2 3.26Å; S70-F101 WeakPolarHBondContact OG-CE2 3.16Å; S70-C129 WeakPolarHBondContact CB-SG 3.38Å; S70-C129 PolarHBondContact N-SG 2.83Å; S70-C129 PolarHBondContact OG-SG 3.1Å; S70-T131 PolarHBondContact OG-OG1 3.42Å; S70-D132 WeakPolarHBondContact CB-OD1 3.17Å; S70-D132 PolarHBondContact OG-OD1 3.27Å
71R81.5Confident75.8Confident31 Ų3151.1 Ų51.112%0.11729%0.288CS..SBendtrans-151153.7179.565.7167.6-165.8104.1-8.2109.5V69 F74 F101 T131 A134V69-R71 VanDerWaalsContact C-N 3.34Å; V69-R71 WeakPolarHBondContact CG1-O 3.29Å; R71-F74 VanDerWaalsContact NH2-CE2 3.26Å; R71-F101 HydrophobicContact CB-CD1 4.15Å; R71-F101 HydrophobicContact CB-CE1 4.29Å; R71-F101 HydrophobicContact CG-CE1 4.22Å; R71-F101 HydrophobicContact CG-CZ 4.42Å; R71-T131 VanDerWaalsContact CZ-O 3.31Å; R71-T131 PolarHBondContact NE-O 3.12Å; R71-T131 PolarHBondContact NH2-O 2.83Å; R71-T131 PolarHBondContact O-OG1 2.84Å; R71-A134 PolarHBondContact NH2-O 3.45Å
72L81.7Confident72.7Confident119 Ų11956.4 Ų56.462%0.62332%0.323SS*.PPolyproline II helixtrans-62.2138.1164.9-64.6176.7000109.6L143 L145L72-L143 HydrophobicContact CD2-CD2 4.21Å; L72-L145 HydrophobicContact CD2-CD1 3.81Å
73P78.5Confident69.6Low7 Ų763.8 Ų63.85%0.04537%0.368CS..PPolyproline II helixtrans-61.3162172.629.3-35.1000109.7C75 W130 T131 F138 L143P73-C75 PolarHBondContact O-N 3.19Å; P73-W130 HydrophobicContact CB-CZ3 4.48Å; P73-W130 HydrophobicContact CG-CH2 4.35Å; P73-T131 HydrophobicContact CB-CG2 4.36Å; P73-F138 HydrophobicContact CB-CD2 3.65Å; P73-F138 HydrophobicContact CB-CE2 4Å; P73-F138 HydrophobicContact CG-CD2 4.29Å; P73-L143 HydrophobicContact CG-CD2 3.81Å
74F77.1Confident66.5Low43 Ų4366 Ų6619%0.18939%0.392CS..PPolyproline II helixtrans-68.5128.2176.7-61.2-57000109.3R71 L107 L110 L111 L137 F138R71-F74 VanDerWaalsContact NH2-CE2 3.26Å; F74-L107 HydrophobicContact CE2-CD2 4.15Å; F74-L107 HydrophobicContact CZ-CD2 4.45Å; F74-L110 HydrophobicContact CD2-CD2 4.43Å; F74-L110 HydrophobicContact CE2-CD2 3.85Å; F74-L111 HydrophobicContact CD1-CD2 4.35Å; F74-L111 HydrophobicContact CE1-CD2 3.4Å; F74-L111 VanDerWaalsContact CE1-CD2 3.4Å; F74-L111 HydrophobicContact CE1-CG 4.11Å; F74-L111 HydrophobicContact CZ-CD1 4.3Å; F74-L111 HydrophobicContact CZ-CD2 3.56Å; F74-L111 HydrophobicContact CZ-CG 3.78Å; F74-L137 HydrophobicContact CB-CD2 3.52Å; F74-L137 HydrophobicContact CG-CD2 4.49Å; F74-F138 PolarHBondContact O-N 3.5Å
75C70.1Confident63.6Low35 Ų3571.2 Ų71.224%0.23643%0.428CS..BIsolated β-bridgetrans-111.8134.7-178.5-680000111.8P73 G77 F138 P140P73-C75 PolarHBondContact O-N 3.19Å; C75-G77 PolarHBondContact O-N 2.71Å; C75-F138 CarbonylContact C-O 3.53Å; C75-F138 WeakPolarHBondContact CA-O 3.28Å; C75-P140 HydrophobicContact CB-CG 4.42Å
76S64.7Low61Low22 Ų2277.6 Ų77.615%0.15446%0.462CS..THydrogen-bonded Turntrans-60.5132.3169.9-57.40000110.2V55 S57 H78 F138V55-S76 WeakPolarHBondContact CG1-OG 3.31Å; S57-S76 PolarHBondContact OG-OG 3.09Å; S76-H78 PolarHBondContact O-N 3.33Å; S76-F138 PolarHBondContact N-O 3.11Å
77G56.7Low58.3Low62 Ų6280.4 Ų80.464%0.63948%0.481SS*.THydrogen-bonded Turntrans91.9-19.3175.500000116.1C75C75-G77 PolarHBondContact O-N 2.71Å
78H48.6Very low56.1Low138 Ų13881.5 Ų81.564%0.63948%0.478SS*.  trans-89.4116.4168-74.8-83.4000109.1S76S76-H78 PolarHBondContact O-N 3.33Å
79H41.4Very low53.7Low147 Ų14784.7 Ų84.768%0.68150%0.501SS*.  trans-53.5146.7151.4-88.5-72.3000107.7
80L40.3Very low51.4Low120 Ų12092.8 Ų92.863%0.62854%0.544SS*.SBendtrans-37.6138.4159.8-78.6106.6000109L111L80-L111 HydrophobicContact CD2-CD2 4.2Å
81P36.6Very low49.2Very low106 Ų10698.1 Ų98.169%0.68857%0.57SS**  trans-45.2135.1-168.515.9-30.6000110.3T83P81-T83 PolarHBondContact O-N 3.28Å
82P33.2Very low47Very low112 Ų112106 Ų10673%0.72761%0.609SS**  trans-52.4125178.820.9-30.3000107.6G84P82-G84 PolarHBondContact O-N 2.74Å
83T34.1Very low44.8Very low155 Ų155104.2 Ų104.295%0.95160%0.602SS**SBendtrans-64.913.2173.6420000112.7P81P81-T83 PolarHBondContact O-N 3.28Å
84G30.7Very low42.7Very low48 Ų48110 Ų11050%0.49564%0.637SS.*SBendtrans-82.2137.2175.600000111.7P82 L86P82-G84 PolarHBondContact O-N 2.74Å; G84-L86 PolarHBondContact O-N 3.46Å
85S34.3Very low40.9Very low109 Ų109113.3 Ų113.376%0.76266%0.656SS**  trans-51.1110.2166.449.20000110.3N87S85-N87 PolarHBondContact O-N 3.26Å
86L35.8Very low39.3Very low147 Ų147122.6 Ų122.677%0.7769%0.686SS**  trans-64.5113.7167.6-84.3150.2000108G84 I88G84-L86 PolarHBondContact O-N 3.46Å; L86-I88 HydrophobicContact CB-CD1 4.43Å; L86-I88 HydrophobicContact CB-CG1 3.98Å; L86-I88 PolarHBondContact O-N 3.39Å
87N34Very low38.4Very low158 Ų158132.3 Ų132.385%0.84572%0.719SS**  trans-7082.2166.9-79.6-21.3000108.1S85S85-N87 PolarHBondContact O-N 3.26Å
88I41.1Very low38.2Very low83 Ų83134.7 Ų134.743%0.42671%0.713SS.*  trans-77.2124.7175.4-57.6171.8000107.1L86 V93 I95L86-I88 HydrophobicContact CB-CD1 4.43Å; L86-I88 HydrophobicContact CB-CG1 3.98Å; L86-I88 PolarHBondContact O-N 3.39Å; I88-V93 HydrophobicContact CG2-CB 4.22Å; I88-V93 HydrophobicContact CG2-CG2 3.66Å; I88-I95 HydrophobicContact CD1-CD1 4.16Å
89P37.7Very low38.3Very low105 Ų105135.4 Ų135.468%0.68272%0.722SS**  trans-57.3143.9176.3-20.130.6000111N91P89-N91 PolarHBondContact O-N 3.17Å
90N39.8Very low39Very low174 Ų174134 Ų13493%0.9373%0.729SS**SBendtrans-59.514.9-172.6-1117.8000117.2
91N35.5Very low40.2Very low139 Ų139131.2 Ų131.274%0.74371%0.711SS**SBendtrans-68.2149166.2-85.47.7000109.3P89 V93P89-N91 PolarHBondContact O-N 3.17Å; N91-V93 PolarHBondContact O-N 3Å
92E34.8Very low42Very low198 Ų198134.8 Ų134.893%0.92572%0.716SS**  trans-60.376.1173.7-73.5-178145.300110.8V94E92-V94 PolarHBondContact O-N 3.38Å
93V36.7Very low44.3Very low81 Ų81133.8 Ų133.849%0.49170%0.7SS.*  trans-76.9104.3169.1179.70000105.7I88 N91 I95I88-V93 HydrophobicContact CG2-CB 4.22Å; I88-V93 HydrophobicContact CG2-CG2 3.66Å; N91-V93 PolarHBondContact O-N 3Å; V93-I95 HydrophobicContact CG1-CG1 3.97Å; V93-I95 PolarHBondContact O-N 3.45Å
94V33.4Very low46.9Very low127 Ų127126.9 Ų126.977%0.7766%0.658SS**  trans-6691.4165.4179.60000106.9E92 R96E92-V94 PolarHBondContact O-N 3.38Å; V94-R96 PolarHBondContact O-N 3.1Å
95I39.2Very low49.5Very low114 Ų114130.6 Ų130.659%0.58566%0.662SS**  trans-69.690.2171.1-56.5176.3000106.6I88 V93 R97I88-I95 HydrophobicContact CD1-CD1 4.16Å; V93-I95 HydrophobicContact CG1-CG1 3.97Å; V93-I95 PolarHBondContact O-N 3.45Å; I95-R97 HydrophobicContact CG2-CG 4.09Å; I95-R97 PolarHBondContact O-N 3.03Å
96R37.7Very low51.9Low230 Ų230125.5 Ų125.587%0.86863%0.626SS**  trans-70.588166.1-116.3-177-178177.91.4107.5V94 Q98V94-R96 PolarHBondContact O-N 3.1Å; R96-Q98 PolarHBondContact O-N 2.92Å; R96-Q98 VanDerWaalsContact O-N 3.1Å
97R44.9Very low54.3Low226 Ų226118.6 Ų118.685%0.85359%0.59SS**  trans-65.1109163.5-83.7-176.6176.6172.9-0.1106.8I95I95-R97 HydrophobicContact CG2-CG 4.09Å; I95-R97 PolarHBondContact O-N 3.03Å
98Q51.4Low56.7Low111 Ų111115.7 Ų115.752%0.51957%0.57SS.*  trans-53146.1162.9-160.6172.38.300108.1V69 R96 S100V69-Q98 PolarHBondContact O-NE2 2.95Å; R96-Q98 PolarHBondContact O-N 2.92Å; R96-Q98 VanDerWaalsContact O-N 3.1Å; Q98-S100 PolarHBondContact O-N 2.97Å
99N52.2Low58.7Low154 Ų154113.8 Ų113.882%0.82456%0.561SS**SBendtrans-42.2132.9-179.7-75.5-21.3000110F101N99-F101 PolarHBondContact O-N 2.83Å
100S55.3Low60.8Low118 Ų118110.4 Ų110.483%0.82554%0.537SS*.  trans-52104.7-175.355.60000109.9Q98 K102Q98-S100 PolarHBondContact O-N 2.97Å; S100-K102 PolarHBondContact O-N 3.25Å
101F65Low62.6Low60 Ų60104.6 Ų104.626%0.26351%0.505SS..  trans-62.4111.4-178.8171.2-114.3000109.2S70 R71 N99 K103 L107 D132S70-F101 WeakPolarHBondContact OG-CD2 3.15Å; S70-F101 VanDerWaalsContact OG-CE2 3.26Å; S70-F101 WeakPolarHBondContact OG-CE2 3.16Å; R71-F101 HydrophobicContact CB-CD1 4.15Å; R71-F101 HydrophobicContact CB-CE1 4.29Å; R71-F101 HydrophobicContact CG-CE1 4.22Å; R71-F101 HydrophobicContact CG-CZ 4.42Å; N99-F101 PolarHBondContact O-N 2.83Å; F101-K103 HydrophobicContact CD1-CG 3.86Å; F101-K103 HydrophobicContact CE1-CB 4.23Å; F101-K103 HydrophobicContact CE1-CG 3.54Å; F101-K103 PolarHBondContact O-N 2.89Å; F101-L107 HydrophobicContact CE1-CD1 3.87Å; F101-L107 HydrophobicContact CZ-CD1 3.51Å; F101-D132 WeakPolarHBondContact CE2-OD1 3.49Å; F101-D132 WeakPolarHBondContact CZ-OD1 3.44Å
102K75.7Confident64.6Low181 Ų181103.3 Ų103.379%0.78750%0.498SS*.  trans-83.598.5174.7-172-178.7179.6-176.50108.2S100 N104S100-K102 PolarHBondContact O-N 3.25Å; K102-N104 PolarHBondContact O-N 3.18Å
103K80.9Confident66.2Low91 Ų9196.5 Ų96.540%0.39648%0.482SS..  trans-49.2126.8172.6-68.1170-179.1171.90110.1F101 L107 K108 L111F101-K103 HydrophobicContact CD1-CG 3.86Å; F101-K103 HydrophobicContact CE1-CB 4.23Å; F101-K103 HydrophobicContact CE1-CG 3.54Å; F101-K103 PolarHBondContact O-N 2.89Å; K103-L107 HydrophobicContact CB-CB 4.43Å; K103-K108 HydrophobicContact CB-CG 3.93Å; K103-K108 VanDerWaalsContact O-CE 3.28Å; K103-K108 WeakPolarHBondContact O-CE 3.44Å; K103-L111 HydrophobicContact CD-CD1 3.85Å
104N88.2Confident67.2Low10 Ų1098.9 Ų98.95%0.05349%0.487CS..  trans-68.7170.4169.763.635.8000110.7K102 F106 L107 K108 L123 S126 D132K102-N104 PolarHBondContact O-N 3.18Å; N104-F106 VanDerWaalsContact C-N 3.32Å; N104-F106 PolarHBondContact O-N 2.69Å; N104-F106 PolarHBondContact OD1-N 3.48Å; N104-L107 PolarHBondContact O-N 3.31Å; N104-L107 WeakPolarHBondContact OD1-CB 3.2Å; N104-L107 VanDerWaalsContact OD1-CG 3.28Å; N104-L107 WeakPolarHBondContact OD1-CG 3.41Å; N104-L107 PolarHBondContact OD1-N 2.97Å; N104-K108 WeakPolarHBondContact O-CG 3.21Å; N104-K108 PolarHBondContact O-N 2.96Å; N104-K108 VanDerWaalsContact O-N 3.14Å; N104-L123 HydrophobicContact CB-CD2 3.98Å; N104-S126 VanDerWaalsContact CB-OG 3.28Å; N104-S126 WeakPolarHBondContact CB-OG 3.39Å; N104-D132 PolarHBondContact ND2-O 3.11Å
105E85.3Confident68.6Low127 Ų12795.9 Ų95.959%0.59347%0.47SS*.Hα-helixtrans-61.3-42.2-176.8-65.3-176.1161.900111.9L107 K108 D109 Y121E105-L107 PolarHBondContact O-N 3.44Å; E105-K108 WeakPolarHBondContact O-CB 3.34Å; E105-K108 PolarHBondContact O-N 3.07Å; E105-D109 PolarHBondContact O-N 3.28Å; E105-Y121 HydrophobicContact CB-CD1 3.97Å; E105-Y121 HydrophobicContact CB-CE1 4.27Å
106F85.8Confident69.5Low1 Ų197.2 Ų97.20%0.00447%0.472CS..Hα-helixtrans-56.7-48.9176.9171.6-102.8000112.4N104 K108 D109 L110 Y121 L123 L135 A430 P431N104-F106 VanDerWaalsContact C-N 3.32Å; N104-F106 PolarHBondContact O-N 2.69Å; N104-F106 PolarHBondContact OD1-N 3.48Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 3.19Å; F106-D109 PolarHBondContact O-N 2.78Å; F106-L110 HydrophobicContact CE1-CD2 4.05Å; F106-L110 HydrophobicContact CZ-CD2 4.17Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.16Å; F106-L110 PolarHBondContact O-N 3.26Å; F106-Y121 HydrophobicContact CB-CD1 3.8Å; F106-Y121 HydrophobicContact CB-CD2 4.45Å; F106-Y121 HydrophobicContact CB-CE1 4.17Å; F106-Y121 HydrophobicContact CB-CG 3.95Å; F106-Y121 HydrophobicContact CD2-CD2 4.07Å; F106-Y121 HydrophobicContact CD2-CE2 4.04Å; F106-Y121 HydrophobicContact CD2-CG 4.4Å; F106-L123 HydrophobicContact CB-CD1 3.84Å; F106-L123 HydrophobicContact CB-CD2 3.8Å; F106-L123 HydrophobicContact CB-CG 4.39Å; F106-L123 HydrophobicContact CD1-CD1 4.39Å; F106-L123 HydrophobicContact CG-CD1 4.12Å; F106-L135 HydrophobicContact CZ-CD1 4.02Å; F106-A430 HydrophobicContact CD2-CB 4.2Å; F106-A430 HydrophobicContact CE2-CB 4.25Å; F106-P431 HydrophobicContact CD1-CB 4.06Å; F106-P431 HydrophobicContact CD2-CB 4.2Å; F106-P431 HydrophobicContact CE1-CB 3.78Å; F106-P431 HydrophobicContact CE1-CG 3.82Å; F106-P431 HydrophobicContact CE2-CB 3.92Å; F106-P431 HydrophobicContact CE2-CG 4.16Å; F106-P431 HydrophobicContact CG-CB 4.27Å; F106-P431 HydrophobicContact CZ-CB 3.71Å; F106-P431 HydrophobicContact CZ-CG 3.58Å
107L84.7Confident70.5Confident2 Ų294.4 Ų94.41%0.0147%0.469CS..Hα-helixtrans-68.7-30.1180-72178.2000113.1F74 F101 K103 N104 E105 L110 L111 D132F74-L107 HydrophobicContact CE2-CD2 4.15Å; F74-L107 HydrophobicContact CZ-CD2 4.45Å; F101-L107 HydrophobicContact CE1-CD1 3.87Å; F101-L107 HydrophobicContact CZ-CD1 3.51Å; K103-L107 HydrophobicContact CB-CB 4.43Å; N104-L107 PolarHBondContact O-N 3.31Å; N104-L107 WeakPolarHBondContact OD1-CB 3.2Å; N104-L107 VanDerWaalsContact OD1-CG 3.28Å; N104-L107 WeakPolarHBondContact OD1-CG 3.41Å; N104-L107 PolarHBondContact OD1-N 2.97Å; E105-L107 PolarHBondContact O-N 3.44Å; L107-L110 HydrophobicContact CD2-CD2 4.32Å; L107-L111 VanDerWaalsContact O-CB 3.29Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 2.98Å; L107-L111 VanDerWaalsContact O-N 3.09Å; L107-D132 VanDerWaalsContact CD1-O 3.29Å; L107-D132 WeakPolarHBondContact CD1-O 3.34Å; L107-D132 WeakPolarHBondContact CG-O 3.42Å
108K85.5Confident71.3Confident98 Ų9888.2 Ų88.243%0.42645%0.453SS..Hα-helixtrans-66.1-47.5173.7-71.5172.6-177.7173.30110.3K103 N104 E105 F106 L111 N112K103-K108 HydrophobicContact CB-CG 3.93Å; K103-K108 VanDerWaalsContact O-CE 3.28Å; K103-K108 WeakPolarHBondContact O-CE 3.44Å; N104-K108 WeakPolarHBondContact O-CG 3.21Å; N104-K108 PolarHBondContact O-N 2.96Å; N104-K108 VanDerWaalsContact O-N 3.14Å; E105-K108 WeakPolarHBondContact O-CB 3.34Å; E105-K108 PolarHBondContact O-N 3.07Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 3.19Å; K108-L111 PolarHBondContact O-N 2.91Å; K108-N112 VanDerWaalsContact O-CG 3.24Å; K108-N112 PolarHBondContact O-N 3.14Å; K108-N112 VanDerWaalsContact O-N 3.09Å; K108-N112 PolarHBondContact O-ND2 2.89Å; K108-N112 VanDerWaalsContact O-ND2 3.1Å
109D83.4Confident72.1Confident42 Ų4284.1 Ų84.123%0.22544%0.438CS..Hα-helixtrans-66.3-43.2-179.9-77.51.6000111.7E105 F106 L111 N112 G113 H114 Y121E105-D109 PolarHBondContact O-N 3.28Å; F106-D109 PolarHBondContact O-N 2.78Å; D109-L111 VanDerWaalsContact C-N 3.34Å; D109-L111 PolarHBondContact O-N 3.36Å; D109-N112 CarbonylContact O-C 3.25Å; D109-N112 PolarHBondContact O-N 3.25Å; D109-N112 VanDerWaalsContact O-N 3.15Å; D109-G113 PolarHBondContact O-N 2.88Å; D109-H114 WeakPolarHBondContact CB-O 3.44Å; D109-H114 CarbonylContact O-C 3.53Å; D109-H114 PolarHBondContact O-N 3.36Å; D109-Y121 HydrophobicContact CB-CE1 4.3Å; D109-Y121 WeakPolarHBondContact CB-OH 3.49Å; D109-Y121 VanDerWaalsContact OD2-CE1 3.3Å; D109-Y121 WeakPolarHBondContact OD2-CE1 3.2Å; D109-Y121 PolarHBondContact OD2-OH 3.11Å
110L81.8Confident73Confident34 Ų3480.3 Ų80.318%0.17842%0.42CS..Hα-helixtrans-58.1-44.9174.8-178.860.5000111.8F74 F106 L107 N112 G113 L135F74-L110 HydrophobicContact CD2-CD2 4.43Å; F74-L110 HydrophobicContact CE2-CD2 3.85Å; F106-L110 HydrophobicContact CE1-CD2 4.05Å; F106-L110 HydrophobicContact CZ-CD2 4.17Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.16Å; F106-L110 PolarHBondContact O-N 3.26Å; L107-L110 HydrophobicContact CD2-CD2 4.32Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 3.07Å; L110-G113 PolarHBondContact O-N 3.17Å; L110-G113 VanDerWaalsContact O-N 3.11Å; L110-L135 HydrophobicContact CD1-CD1 3.55Å; L110-L135 HydrophobicContact CD2-CD1 3.98Å; L110-L135 HydrophobicContact CG-CD1 4.42Å
111L77.4Confident74.2Confident52 Ų5275.3 Ų75.327%0.27238%0.383SS..Hα-helixtrans-66.9-29.3177.5-82.2174.8000113.7F74 L80 K103 L107 K108 D109 G113F74-L111 HydrophobicContact CD1-CD2 4.35Å; F74-L111 HydrophobicContact CE1-CD2 3.4Å; F74-L111 VanDerWaalsContact CE1-CD2 3.4Å; F74-L111 HydrophobicContact CE1-CG 4.11Å; F74-L111 HydrophobicContact CZ-CD1 4.3Å; F74-L111 HydrophobicContact CZ-CD2 3.56Å; F74-L111 HydrophobicContact CZ-CG 3.78Å; L80-L111 HydrophobicContact CD2-CD2 4.2Å; K103-L111 HydrophobicContact CD-CD1 3.85Å; L107-L111 VanDerWaalsContact O-CB 3.29Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 2.98Å; L107-L111 VanDerWaalsContact O-N 3.09Å; K108-L111 PolarHBondContact O-N 2.91Å; D109-L111 VanDerWaalsContact C-N 3.34Å; D109-L111 PolarHBondContact O-N 3.36Å; L111-G113 PolarHBondContact O-N 2.93Å
112N77.3Confident75.2Confident112 Ų11279.4 Ų79.460%0.59940%0.402SS*.THydrogen-bonded Turntrans-81.92.9175.5-66.8-30.3000112.3K108 D109 L110 H114K108-N112 VanDerWaalsContact O-CG 3.24Å; K108-N112 PolarHBondContact O-N 3.14Å; K108-N112 VanDerWaalsContact O-N 3.09Å; K108-N112 PolarHBondContact O-ND2 2.89Å; K108-N112 VanDerWaalsContact O-ND2 3.1Å; D109-N112 CarbonylContact O-C 3.25Å; D109-N112 PolarHBondContact O-N 3.25Å; D109-N112 VanDerWaalsContact O-N 3.15Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 3.07Å; N112-H114 VanDerWaalsContact C-N 3.27Å; N112-H114 PolarHBondContact O-CD2 3.21Å; N112-H114 PolarHBondContact O-N 3.47Å
113G67.9Low76Confident56 Ų5670.9 Ų70.958%0.57737%0.366SS*.THydrogen-bonded Turntrans73.117.7-178.800000113.9D109 L110 L111D109-G113 PolarHBondContact O-N 2.88Å; L110-G113 PolarHBondContact O-N 3.17Å; L110-G113 VanDerWaalsContact O-N 3.11Å; L111-G113 PolarHBondContact O-N 2.93Å
114H58.3Low76.5Confident130 Ų13067.9 Ų67.960%0.60235%0.354SS*.  trans-132.559-174-60.6-54.5000112.6D109 N112 K116D109-H114 WeakPolarHBondContact CB-O 3.44Å; D109-H114 CarbonylContact O-C 3.53Å; D109-H114 PolarHBondContact O-N 3.36Å; N112-H114 VanDerWaalsContact C-N 3.27Å; N112-H114 PolarHBondContact O-CD2 3.21Å; N112-H114 PolarHBondContact O-N 3.47Å; H114-K116 VanDerWaalsContact C-N 3.27Å; H114-K116 PolarHBondContact O-N 3.42Å
115P61.9Low76.7Confident64 Ų6473.7 Ų73.742%0.41639%0.385SS..  trans-61.6102.7156.328.3-28.5000105.9E117P115-E117 PolarHBondContact O-N 3.21Å
116K58.8Low76.9Confident143 Ų14369.7 Ų69.762%0.62237%0.371SS*.  trans-60.8129.1-177-65.9173.6-177.8172.50107.4H114 D118 A119H114-K116 VanDerWaalsContact C-N 3.27Å; H114-K116 PolarHBondContact O-N 3.42Å; K116-D118 PolarHBondContact O-N 3.22Å; K116-A119 HydrophobicContact CB-CB 3.76Å; K116-A119 WeakPolarHBondContact O-CB 3.41Å; K116-A119 PolarHBondContact O-N 2.64Å
117E59.7Low77.3Confident170 Ų17070.2 Ų70.279%0.79437%0.374SS*.THydrogen-bonded Turntrans-50.1127.9169.3-68.1-175164.300108P115 A119P115-E117 PolarHBondContact O-N 3.21Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 3.41Å
118D60.9Low77.6Confident97 Ų9777.5 Ų77.552%0.51941%0.406SS..THydrogen-bonded Turntrans66.112.9-178.3-50.6-38.5000117.4K116 V120K116-D118 PolarHBondContact O-N 3.22Å; D118-V120 PolarHBondContact O-N 2.99Å
119A68.4Low77.9Confident25 Ų2573.1 Ų73.121%0.20739%0.387CS..  trans-63.9138.4169.600000112.4K116 E117 Y121K116-A119 HydrophobicContact CB-CB 3.76Å; K116-A119 WeakPolarHBondContact O-CB 3.41Å; K116-A119 PolarHBondContact O-N 2.64Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 3.41Å; A119-Y121 HydrophobicContact CB-CD2 4.23Å; A119-Y121 HydrophobicContact CB-CE2 3.49Å; A119-Y121 VanDerWaalsContact CB-CE2 3.49Å
120V71.1Confident78.4Confident73 Ų7371.1 Ų71.144%0.44238%0.377SS..  trans-102.2118.6176.8-179.50000108D118 L434 T445D118-V120 PolarHBondContact O-N 2.99Å; V120-L434 HydrophobicContact CG1-CD1 3.37Å; V120-L434 HydrophobicContact CG1-CD2 4.06Å; V120-L434 HydrophobicContact CG1-CG 4.34Å; V120-T445 HydrophobicContact CG2-CG2 3.52Å
121Y81Confident78.9Confident14 Ų1469.5 Ų69.56%0.05537%0.368CS..  trans-111.4126.7178.7-61.6-89.1000110.7E105 F106 D109 A119 L123 A430E105-Y121 HydrophobicContact CB-CD1 3.97Å; E105-Y121 HydrophobicContact CB-CE1 4.27Å; F106-Y121 HydrophobicContact CB-CD1 3.8Å; F106-Y121 HydrophobicContact CB-CD2 4.45Å; F106-Y121 HydrophobicContact CB-CE1 4.17Å; F106-Y121 HydrophobicContact CB-CG 3.95Å; F106-Y121 HydrophobicContact CD2-CD2 4.07Å; F106-Y121 HydrophobicContact CD2-CE2 4.04Å; F106-Y121 HydrophobicContact CD2-CG 4.4Å; D109-Y121 HydrophobicContact CB-CE1 4.3Å; D109-Y121 WeakPolarHBondContact CB-OH 3.49Å; D109-Y121 VanDerWaalsContact OD2-CE1 3.3Å; D109-Y121 WeakPolarHBondContact OD2-CE1 3.2Å; D109-Y121 PolarHBondContact OD2-OH 3.11Å; A119-Y121 HydrophobicContact CB-CD2 4.23Å; A119-Y121 HydrophobicContact CB-CE2 3.49Å; A119-Y121 VanDerWaalsContact CB-CE2 3.49Å; Y121-L123 PolarHBondContact O-N 3.04Å; Y121-A430 HydrophobicContact CD2-CB 3.4Å; Y121-A430 VanDerWaalsContact CD2-CB 3.4Å; Y121-A430 HydrophobicContact CE2-CB 3.9Å; Y121-A430 HydrophobicContact CG-CB 4.47Å
122H85.7Confident79.6Confident145 Ų14567.1 Ų67.167%0.67136%0.356SS*.  trans-90.583.9176.1-65.6-77.5000110.2
123L91Very high80.3Confident3 Ų361.8 Ų61.82%0.01633%0.327CS..  trans-91.5-12.2-169.2-64.7-175.5000115N104 F106 Y121 D125 S126 V127 Y285 P431N104-L123 HydrophobicContact CB-CD2 3.98Å; F106-L123 HydrophobicContact CB-CD1 3.84Å; F106-L123 HydrophobicContact CB-CD2 3.8Å; F106-L123 HydrophobicContact CB-CG 4.39Å; F106-L123 HydrophobicContact CD1-CD1 4.39Å; F106-L123 HydrophobicContact CG-CD1 4.12Å; Y121-L123 PolarHBondContact O-N 3.04Å; L123-D125 VanDerWaalsContact C-N 3.32Å; L123-D125 PolarHBondContact O-N 2.84Å; L123-D125 VanDerWaalsContact O-N 3.14Å; L123-S126 WeakPolarHBondContact CA-OG 3.36Å; L123-S126 PolarHBondContact O-N 3.2Å; L123-S126 PolarHBondContact O-OG 3.07Å; L123-V127 HydrophobicContact CB-CG2 3.86Å; L123-V127 PolarHBondContact O-N 2.88Å; L123-Y285 HydrophobicContact CB-CE1 3.87Å; L123-P431 HydrophobicContact CD1-CB 3.85Å
124D92.9Very high81.4Confident28 Ų2859.1 Ų59.115%0.1530%0.3CS..THydrogen-bonded Turntrans-45-48.4-173.5-63.623.1000114.2K280 L283 H286D124-K280 WeakPolarHBondContact OD2-CE 3.45Å; D124-K280 IonicContact OD2-NZ 3.65Å; D124-K280 PolarHBondContact OD2-NZ 3.35Å; D124-L283 HydrophobicContact CB-CD1 3.84Å; D124-H286 IonicContact OD1-CE1 3.08Å; D124-H286 IonicContact OD1-NE2 2.75Å; D124-H286 PolarHBondContact OD1-NE2 2.96Å; D124-H286 VanDerWaalsContact OD1-NE2 3.13Å; D124-H286 IonicContact OD2-CE1 2.81Å; D124-H286 PolarHBondContact OD2-CE1 3.46Å; D124-H286 IonicContact OD2-NE2 3.17Å; D124-H286 PolarHBondContact OD2-NE2 3.36Å
125D91.3Very high82.8Confident131 Ų13154.4 Ų54.470%0.70128%0.279SS*.THydrogen-bonded Turntrans-85.4-19.7-177.4-64.1-41.6000112.9L123 K128L123-D125 VanDerWaalsContact C-N 3.32Å; L123-D125 PolarHBondContact O-N 2.84Å; L123-D125 VanDerWaalsContact O-N 3.14Å; D125-K128 VanDerWaalsContact O-CE 3.27Å; D125-K128 WeakPolarHBondContact O-CE 3.4Å; D125-K128 PolarHBondContact O-NZ 3.13Å
126S90.8Very high84Confident43 Ų4351.6 Ų51.630%0.30126%0.26SS..THydrogen-bonded Turntrans-92.7-24.9-173.177.80000113.8N104 L123 K128N104-S126 VanDerWaalsContact CB-OG 3.28Å; N104-S126 WeakPolarHBondContact CB-OG 3.39Å; L123-S126 WeakPolarHBondContact CA-OG 3.36Å; L123-S126 PolarHBondContact O-N 3.2Å; L123-S126 PolarHBondContact O-OG 3.07Å; S126-K128 PolarHBondContact O-N 2.91Å
127V93.1Very high85.3Confident12 Ų1248.3 Ų48.37%0.07325%0.249CC..  trans-83.9111.2177.5170.60000108.9F19 L123 D132 F133 Y285F19-V127 HydrophobicContact CE1-CG1 3.91Å; F19-V127 HydrophobicContact CZ-CG1 4.41Å; L123-V127 HydrophobicContact CB-CG2 3.86Å; L123-V127 PolarHBondContact O-N 2.88Å; V127-D132 HydrophobicContact CB-CB 4.39Å; V127-D132 HydrophobicContact CG1-CB 4.35Å; V127-D132 HydrophobicContact CG2-CB 4.14Å; V127-F133 HydrophobicContact CG1-CD1 3.6Å; V127-F133 HydrophobicContact CG1-CE1 4Å; V127-F133 HydrophobicContact CG2-CB 4.18Å; V127-F133 HydrophobicContact CG2-CD1 4.19Å; V127-Y285 HydrophobicContact CB-CD2 4.41Å; V127-Y285 HydrophobicContact CB-CG 4.21Å; V127-Y285 HydrophobicContact CG1-CD2 3.96Å; V127-Y285 HydrophobicContact CG1-CG 3.96Å; V127-Y285 HydrophobicContact CG2-CD2 4.24Å; V127-Y285 HydrophobicContact CG2-CE2 4.31Å; V127-Y285 HydrophobicContact CG2-CG 4.38Å
128K90.5Very high86.7Confident156 Ų15640.3 Ų40.368%0.67821%0.212SC*.  trans-107.4-29.7174.7-58.7-50.1-173.2-158.10112D125 S126 D132D125-K128 VanDerWaalsContact O-CE 3.27Å; D125-K128 WeakPolarHBondContact O-CE 3.4Å; D125-K128 PolarHBondContact O-NZ 3.13Å; S126-K128 PolarHBondContact O-N 2.91Å; K128-D132 WeakPolarHBondContact CA-OD2 3.32Å; K128-D132 PolarHBondContact N-OD2 3.09Å
129C92Very high88.2Confident6 Ų637.3 Ų37.34%0.04120%0.195CC..SBendtrans-136.1167.8176.368.50000111.9F19 N68 S70 T131 D132F19-C129 VanDerWaalsContact CZ-C 3.46Å; N68-C129 WeakPolarHBondContact O-CB 3.34Å; S70-C129 WeakPolarHBondContact CB-SG 3.38Å; S70-C129 PolarHBondContact N-SG 2.83Å; S70-C129 PolarHBondContact OG-SG 3.1Å; C129-T131 PolarHBondContact O-N 3.15Å; C129-T131 PolarHBondContact SG-OG1 3.44Å; C129-D132 PolarHBondContact N-OD2 2.95Å; C129-D132 VanDerWaalsContact O-CB 3.31Å; C129-D132 WeakPolarHBondContact O-CB 3.35Å; C129-D132 PolarHBondContact O-N 3.18Å; C129-D132 VanDerWaalsContact O-N 3.07Å; C129-D132 PolarHBondContact SG-OD1 3.42Å; C129-D132 PolarHBondContact SG-OD2 3.09Å; C129-D132 VanDerWaalsContact SG-OD2 3.37Å
130W94.9Very high89.2Confident0 Ų038.7 Ų38.70%020%0.202CC..G310 helixtrans-62.6-30.1-17864.6-97.6000113.4N18 F19 I62 E64 V69 P73 D132 F133 A134 L143N18-W130 HydrophobicContact CB-CB 4.34Å; N18-W130 VanDerWaalsContact CB-CD1 3.4Å; N18-W130 HydrophobicContact CB-CD2 3.89Å; N18-W130 HydrophobicContact CB-CG 3.66Å; F19-W130 HydrophobicContact CD1-CB 4.49Å; F19-W130 HydrophobicContact CD2-CB 3.89Å; F19-W130 HydrophobicContact CE2-CB 4.24Å; F19-W130 HydrophobicContact CG-CB 4.04Å; I62-W130 HydrophobicContact CD1-CH2 4.01Å; I62-W130 HydrophobicContact CD1-CZ3 4.26Å; I62-W130 HydrophobicContact CG2-CH2 4.05Å; I62-W130 HydrophobicContact CG2-CZ2 3.86Å; E64-W130 PolarHBondContact OE2-NE1 3.17Å; E64-W130 VanDerWaalsContact OE2-NE1 3.09Å; V69-W130 HydrophobicContact CG2-CZ2 4.26Å; P73-W130 HydrophobicContact CB-CZ3 4.48Å; P73-W130 HydrophobicContact CG-CH2 4.35Å; W130-D132 PolarHBondContact O-N 3.45Å; W130-F133 HydrophobicContact CB-CE1 4.37Å; W130-F133 WeakPolarHBondContact O-CD1 3.27Å; W130-F133 PolarHBondContact O-N 3.3Å; W130-A134 HydrophobicContact CE3-CB 4.43Å; W130-A134 PolarHBondContact O-N 2.99Å; W130-L143 HydrophobicContact CH2-CD1 4.17Å; W130-L143 HydrophobicContact CZ2-CD1 4.05Å
131T92.6Very high90.3Very high0 Ų038.4 Ų38.40%019%0.194CC..G310 helixtrans-69.8-14.4176.461.20000114.1V69 S70 R71 P73 C129 F133V69-T131 HydrophobicContact CG1-CG2 3.92Å; S70-T131 PolarHBondContact OG-OG1 3.42Å; R71-T131 VanDerWaalsContact CZ-O 3.31Å; R71-T131 PolarHBondContact NE-O 3.12Å; R71-T131 PolarHBondContact NH2-O 2.83Å; R71-T131 PolarHBondContact O-OG1 2.84Å; P73-T131 HydrophobicContact CB-CG2 4.36Å; C129-T131 PolarHBondContact O-N 3.15Å; C129-T131 PolarHBondContact SG-OG1 3.44Å; T131-F133 PolarHBondContact O-N 3.27Å
132D92.4Very high90.9Very high1 Ų137.8 Ų37.81%0.00519%0.192CC..G310 helixtrans-72.3-16.1-179.6-62.8-26.4000113S70 F101 N104 L107 V127 K128 C129 W130S70-D132 WeakPolarHBondContact CB-OD1 3.17Å; S70-D132 PolarHBondContact OG-OD1 3.27Å; F101-D132 WeakPolarHBondContact CE2-OD1 3.49Å; F101-D132 WeakPolarHBondContact CZ-OD1 3.44Å; N104-D132 PolarHBondContact ND2-O 3.11Å; L107-D132 VanDerWaalsContact CD1-O 3.29Å; L107-D132 WeakPolarHBondContact CD1-O 3.34Å; L107-D132 WeakPolarHBondContact CG-O 3.42Å; V127-D132 HydrophobicContact CB-CB 4.39Å; V127-D132 HydrophobicContact CG1-CB 4.35Å; V127-D132 HydrophobicContact CG2-CB 4.14Å; K128-D132 WeakPolarHBondContact CA-OD2 3.32Å; K128-D132 PolarHBondContact N-OD2 3.09Å; C129-D132 PolarHBondContact N-OD2 2.95Å; C129-D132 VanDerWaalsContact O-CB 3.31Å; C129-D132 WeakPolarHBondContact O-CB 3.35Å; C129-D132 PolarHBondContact O-N 3.18Å; C129-D132 VanDerWaalsContact O-N 3.07Å; C129-D132 PolarHBondContact SG-OD1 3.42Å; C129-D132 PolarHBondContact SG-OD2 3.09Å; C129-D132 VanDerWaalsContact SG-OD2 3.37Å; W130-D132 PolarHBondContact O-N 3.45Å
133F92Very high91.4Very high0 Ų032 Ų320%017%0.166CC..SBendtrans-133.69.4178.871.1-88.2000113.2F19 H23 N26 V127 W130 T131 L135 Y285 P431F19-F133 AromaticContact CD1-CE1 3.58Å; F19-F133 HydrophobicContact CD1-CE1 3.58Å; F19-F133 AromaticContact CD1-CZ 3.89Å; F19-F133 HydrophobicContact CD1-CZ 3.89Å; F19-F133 AromaticContact CE1-CE1 3.69Å; F19-F133 HydrophobicContact CE1-CE1 3.69Å; F19-F133 HydrophobicContact CE1-CZ 4.45Å; F19-F133 HydrophobicContact CG-CE1 4.49Å; H23-F133 HydrophobicContact CB-CE2 4.41Å; H23-F133 AromaticContact CD2-CE2 3.51Å; H23-F133 AromaticContact CD2-CZ 3.65Å; H23-F133 AromaticContact CE1-CD2 3.79Å; H23-F133 AromaticContact CE1-CE2 3.48Å; H23-F133 VanDerWaalsContact CE1-CE2 3.48Å; H23-F133 WeakPolarHBondContact CE1-CE2 3.04Å; H23-F133 AromaticContact CG-CE2 3.6Å; H23-F133 AromaticContact ND1-CE2 3.6Å; H23-F133 AromaticContact NE2-CE2 3.44Å; H23-F133 WeakPolarHBondContact NE2-CE2 3.26Å; H23-F133 AromaticContact NE2-CZ 3.64Å; N26-F133 PolarHBondContact ND2-O 3.31Å; V127-F133 HydrophobicContact CG1-CD1 3.6Å; V127-F133 HydrophobicContact CG1-CE1 4Å; V127-F133 HydrophobicContact CG2-CB 4.18Å; V127-F133 HydrophobicContact CG2-CD1 4.19Å; W130-F133 HydrophobicContact CB-CE1 4.37Å; W130-F133 WeakPolarHBondContact O-CD1 3.27Å; W130-F133 PolarHBondContact O-N 3.3Å; T131-F133 PolarHBondContact O-N 3.27Å; F133-L135 PolarHBondContact O-N 2.91Å; F133-Y285 HydrophobicContact CB-CE2 4.08Å; F133-Y285 AromaticContact CD1-CD2 3.75Å; F133-Y285 HydrophobicContact CD1-CD2 3.75Å; F133-Y285 HydrophobicContact CD1-CE2 4.03Å; F133-Y285 HydrophobicContact CD2-CD2 4.28Å; F133-Y285 AromaticContact CD2-CE2 3.98Å; F133-Y285 HydrophobicContact CD2-CE2 3.98Å; F133-Y285 AromaticContact CE1-CD2 3.83Å; F133-Y285 HydrophobicContact CE1-CD2 3.83Å; F133-Y285 HydrophobicContact CE1-CE2 4.44Å; F133-Y285 HydrophobicContact CE2-CD2 4.4Å; F133-Y285 HydrophobicContact CE2-CE2 4.46Å; F133-Y285 AromaticContact CG-CD2 3.97Å; F133-Y285 HydrophobicContact CG-CD2 3.97Å; F133-Y285 AromaticContact CG-CE2 3.77Å; F133-Y285 HydrophobicContact CG-CE2 3.77Å; F133-Y285 HydrophobicContact CZ-CD2 4.19Å; F133-P431 HydrophobicContact CB-CB 3.97Å; F133-P431 HydrophobicContact CB-CG 4.16Å; F133-P431 HydrophobicContact CD2-CG 4.31Å; F133-P431 WeakPolarHBondContact O-CG 3.37Å
134A90.9Very high91.5Very high1 Ų133 Ų331%0.00817%0.17CC..  trans-69.9116.6175.900000110.9R71 W130 F138R71-A134 PolarHBondContact NH2-O 3.45Å; W130-A134 HydrophobicContact CE3-CB 4.43Å; W130-A134 PolarHBondContact O-N 2.99Å; A134-F138 HydrophobicContact CB-CE2 4.21Å
135L86.6Confident91.5Very high31 Ų3134 Ų3416%0.16218%0.175CC..  trans-80.2-34.2178.4-177.770.3000112.2N26 F106 L110 F133N26-L135 WeakPolarHBondContact OD1-CB 3.44Å; N26-L135 PolarHBondContact OD1-N 3.39Å; F106-L135 HydrophobicContact CZ-CD1 4.02Å; L110-L135 HydrophobicContact CD1-CD1 3.55Å; L110-L135 HydrophobicContact CD2-CD1 3.98Å; L110-L135 HydrophobicContact CG-CD1 4.42Å; F133-L135 PolarHBondContact O-N 2.91Å
136N87Confident91.4Very high4 Ų427.8 Ų27.82%0.02114%0.142CC..SBendtrans-71.8144.9-164-72-107.3000113.1W25 N26 S29 P58 F138W25-N136 VanDerWaalsContact CB-ND2 3.3Å; W25-N136 WeakPolarHBondContact CB-ND2 3.17Å; W25-N136 PolarHBondContact O-ND2 3.38Å; W25-N136 PolarHBondContact O-OD1 3.15Å; N26-N136 PolarHBondContact N-ND2 2.96Å; N26-N136 PolarHBondContact OD1-ND2 3.01Å; N26-N136 VanDerWaalsContact OD1-ND2 3.15Å; S29-N136 VanDerWaalsContact OG-CG 3.25Å; S29-N136 PolarHBondContact OG-ND2 2.88Å; S29-N136 PolarHBondContact OG-OD1 3.33Å; P58-N136 HydrophobicContact CG-CB 3.91Å; P58-N136 WeakPolarHBondContact CG-OD1 3.5Å; N136-F138 HydrophobicContact CB-CD2 4.48Å; N136-F138 HydrophobicContact CB-CE1 4.47Å; N136-F138 HydrophobicContact CB-CE2 4Å; N136-F138 HydrophobicContact CB-CZ 4Å; N136-F138 VanDerWaalsContact O-CD2 3.28Å; N136-F138 WeakPolarHBondContact O-CD2 3.25Å; N136-F138 WeakPolarHBondContact O-CE2 3.47Å; N136-F138 PolarHBondContact O-N 3.05Å
137L86.4Confident91Very high75 Ų7527.4 Ų27.439%0.39314%0.139SC..  trans-83.8108166.1-63-179.4000109.1V55 S57 F74V55-L137 HydrophobicContact CG1-CB 4.42Å; V55-L137 HydrophobicContact CG1-CD1 3.97Å; S57-L137 VanDerWaalsContact CA-O 3.31Å; S57-L137 WeakPolarHBondContact CA-O 3.28Å; S57-L137 WeakPolarHBondContact CB-O 3.5Å; S57-L137 PolarHBondContact OG-O 3.39Å; F74-L137 HydrophobicContact CB-CD2 3.52Å; F74-L137 HydrophobicContact CG-CD2 4.49Å
138F90.2Very high89.8Confident2 Ų230.7 Ų30.71%0.00916%0.156CC..BIsolated β-bridgetrans-84.3156.3179.1-65.4-84.9000111.4P58 V60 I62 P73 F74 C75 S76 A134 N136P58-F138 HydrophobicContact CG-CD1 4.35Å; P58-F138 HydrophobicContact CG-CE1 4.16Å; V60-F138 HydrophobicContact CG1-CD1 3.74Å; V60-F138 HydrophobicContact CG1-CE1 3.85Å; I62-F138 HydrophobicContact CD1-CD1 4.05Å; I62-F138 HydrophobicContact CD1-CE1 3.66Å; I62-F138 HydrophobicContact CD1-CZ 4.19Å; P73-F138 HydrophobicContact CB-CD2 3.65Å; P73-F138 HydrophobicContact CB-CE2 4Å; P73-F138 HydrophobicContact CG-CD2 4.29Å; F74-F138 PolarHBondContact O-N 3.5Å; C75-F138 CarbonylContact C-O 3.53Å; C75-F138 WeakPolarHBondContact CA-O 3.28Å; S76-F138 PolarHBondContact N-O 3.11Å; A134-F138 HydrophobicContact CB-CE2 4.21Å; N136-F138 HydrophobicContact CB-CD2 4.48Å; N136-F138 HydrophobicContact CB-CE1 4.47Å; N136-F138 HydrophobicContact CB-CE2 4Å; N136-F138 HydrophobicContact CB-CZ 4Å; N136-F138 VanDerWaalsContact O-CD2 3.28Å; N136-F138 WeakPolarHBondContact O-CD2 3.25Å; N136-F138 WeakPolarHBondContact O-CE2 3.47Å; N136-F138 PolarHBondContact O-N 3.05Å
139H91.4Very high88.4Confident34 Ų3428.8 Ų28.816%0.15716%0.163CC..  trans-76.1151.6169.6-173.1-106.7000110R45 K141 S142 F176 F177R45-H139 PolarHBondContact NH1-CD2 2.58Å; R45-H139 VanDerWaalsContact NH1-CG 3.34Å; R45-H139 PolarHBondContact NH1-NE2 3.02Å; H139-K141 WeakPolarHBondContact ND1-CB 3.37Å; H139-K141 PolarHBondContact ND1-N 3.23Å; H139-K141 VanDerWaalsContact ND1-N 3.14Å; H139-K141 PolarHBondContact O-N 3Å; H139-K141 VanDerWaalsContact O-N 3.1Å; H139-S142 PolarHBondContact N-OG 3.5Å; H139-S142 WeakPolarHBondContact O-CB 2.95Å; H139-S142 PolarHBondContact O-N 2.81Å; H139-S142 PolarHBondContact O-OG 3.07Å; H139-F176 AromaticContact CE1-CD1 3.98Å; H139-F176 AromaticContact CE1-CE1 3.21Å; H139-F176 WeakPolarHBondContact CE1-CE1 3.45Å; H139-F176 AromaticContact CE1-CE2 3.54Å; H139-F176 AromaticContact CE1-CZ 2.95Å; H139-F176 WeakPolarHBondContact CE1-CZ 3.27Å; H139-F176 AromaticContact CG-CE1 3.85Å; H139-F176 AromaticContact ND1-CD1 3.78Å; H139-F176 AromaticContact ND1-CE1 3.16Å; H139-F176 WeakPolarHBondContact ND1-CE1 3.39Å; H139-F176 AromaticContact ND1-CZ 3.47Å; H139-F176 WeakPolarHBondContact ND1-CZ 3.22Å; H139-F176 AromaticContact NE2-CE1 3.88Å; H139-F176 AromaticContact NE2-CZ 3.39Å; H139-F176 WeakPolarHBondContact NE2-CZ 3.22Å; H139-F177 HydrophobicContact CB-CE1 4.14Å; H139-F177 HydrophobicContact CB-CZ 3.98Å
140P89.4Confident87.1Confident54 Ų5432 Ų3235%0.35118%0.177SC..G310 helixtrans-55.8-26.3174.4-30.338.3000114.5C75 S142C75-P140 HydrophobicContact CB-CG 4.42Å; P140-S142 VanDerWaalsContact C-N 3.34Å
141K93.4Very high85.7Confident67 Ų6732.3 Ų32.329%0.29118%0.179SC..G310 helixtrans-82.3-6.2173.4-64.2-69.5-176.1175.90114.4H139 L143 H173 F176 F177H139-K141 WeakPolarHBondContact ND1-CB 3.37Å; H139-K141 PolarHBondContact ND1-N 3.23Å; H139-K141 VanDerWaalsContact ND1-N 3.14Å; H139-K141 PolarHBondContact O-N 3Å; H139-K141 VanDerWaalsContact O-N 3.1Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 PolarHBondContact O-N 3.26Å; K141-H173 PolarHBondContact O-ND1 3.43Å; K141-F176 HydrophobicContact CB-CB 4.25Å; K141-F176 HydrophobicContact CB-CD1 3.81Å; K141-F176 HydrophobicContact CB-CE1 4.43Å; K141-F176 HydrophobicContact CB-CG 3.95Å; K141-F176 HydrophobicContact CG-CB 4.19Å; K141-F176 HydrophobicContact CG-CD1 4.12Å; K141-F176 HydrophobicContact CG-CD2 4.07Å; K141-F176 HydrophobicContact CG-CG 3.82Å; K141-F177 HydrophobicContact CB-CE2 4.06Å; K141-F177 HydrophobicContact CB-CZ 4.27Å
142S95.4Very high84.8Confident0 Ų037.8 Ų37.80%021%0.208CC..G310 helixtrans-74.2-19.6-179.2-65.80000114.3V60 V61 I62 H139 P140 F177V60-S142 WeakPolarHBondContact O-CA 3.25Å; V60-S142 WeakPolarHBondContact O-CB 3.49Å; V60-S142 PolarHBondContact O-OG 2.8Å; V60-S142 VanDerWaalsContact O-OG 3.11Å; V61-S142 CarbonylContact C-O 3.36Å; V61-S142 WeakPolarHBondContact CA-O 3.29Å; I62-S142 WeakPolarHBondContact CB-O 3.32Å; I62-S142 PolarHBondContact N-O 3.48Å; H139-S142 PolarHBondContact N-OG 3.5Å; H139-S142 WeakPolarHBondContact O-CB 2.95Å; H139-S142 PolarHBondContact O-N 2.81Å; H139-S142 PolarHBondContact O-OG 3.07Å; P140-S142 VanDerWaalsContact C-N 3.34Å; S142-F177 VanDerWaalsContact OG-CZ 3.29Å; S142-F177 WeakPolarHBondContact OG-CZ 3.43Å
143L94.9Very high84.2Confident24 Ų2439.4 Ų39.413%0.12622%0.22CC..EExtended strand (participates in β ladder)trans-120.5128.6-175.5-17867.6000110.7I62 L72 P73 W130 K141 L145 H173I62-L143 HydrophobicContact CB-CD1 4.01Å; I62-L143 HydrophobicContact CG2-CD1 3.87Å; L72-L143 HydrophobicContact CD2-CD2 4.21Å; P73-L143 HydrophobicContact CG-CD2 3.81Å; W130-L143 HydrophobicContact CH2-CD1 4.17Å; W130-L143 HydrophobicContact CZ2-CD1 4.05Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 PolarHBondContact O-N 3.26Å; L143-L145 HydrophobicContact CD1-CD2 3.85Å; L143-L145 HydrophobicContact CD1-CG 4.36Å; L143-L145 HydrophobicContact CD2-CD1 4.03Å; L143-L145 HydrophobicContact CD2-CD2 3.99Å; L143-L145 HydrophobicContact CD2-CG 3.93Å; L143-L145 HydrophobicContact CG-CD2 3.96Å; L143-L145 HydrophobicContact CG-CG 3.93Å; L143-H173 PolarHBondContact O-CE1 3.28Å
144F94.2Very high83.7Confident25 Ų2540.6 Ų40.611%0.1122%0.224CC..EExtended strand (participates in β ladder)trans-121.7120.5171.8-169.5-75000109.3I62 F63 E64 F146 T166 D169 I170I62-F144 PolarHBondContact O-N 3Å; F63-F144 HydrophobicContact CD1-CB 3.67Å; F63-F144 HydrophobicContact CD1-CD1 4.07Å; F63-F144 HydrophobicContact CD1-CG 4.02Å; F63-F144 HydrophobicContact CE1-CB 3.83Å; F63-F144 HydrophobicContact CE1-CD1 4.43Å; F63-F144 HydrophobicContact CE1-CG 4.06Å; E64-F144 PolarHBondContact N-O 2.78Å; E64-F144 VanDerWaalsContact N-O 3.12Å; F144-F146 AromaticContact CD1-CD2 3.89Å; F144-F146 HydrophobicContact CD1-CD2 3.89Å; F144-F146 AromaticContact CD1-CE2 3.4Å; F144-F146 HydrophobicContact CD1-CE2 3.4Å; F144-F146 AromaticContact CD1-CZ 3.8Å; F144-F146 HydrophobicContact CD1-CZ 3.8Å; F144-F146 HydrophobicContact CE1-CD1 4.37Å; F144-F146 HydrophobicContact CE1-CD2 4.06Å; F144-F146 AromaticContact CE1-CE1 3.89Å; F144-F146 HydrophobicContact CE1-CE1 3.89Å; F144-F146 AromaticContact CE1-CE2 3.52Å; F144-F146 HydrophobicContact CE1-CE2 3.52Å; F144-F146 HydrophobicContact CE1-CG 4.44Å; F144-F146 AromaticContact CE1-CZ 3.41Å; F144-F146 HydrophobicContact CE1-CZ 3.41Å; F144-F146 VanDerWaalsContact CE1-CZ 3.41Å; F144-F146 HydrophobicContact CZ-CZ 4.42Å; F144-T166 HydrophobicContact CE1-CG2 4.43Å; F144-T166 HydrophobicContact CZ-CG2 4.09Å; F144-D169 HydrophobicContact CE2-CB 3.74Å; F144-D169 HydrophobicContact CZ-CB 4.38Å; F144-I170 HydrophobicContact CD2-CG1 4.22Å; F144-I170 HydrophobicContact CE1-CG1 4.25Å; F144-I170 HydrophobicContact CE2-CG1 3.87Å; F144-I170 HydrophobicContact CZ-CG1 3.89Å
145L91.9Very high83.5Confident47 Ų4745 Ų4525%0.24625%0.245CC..EExtended strand (participates in β ladder)trans-109.9117.9-173-68.5179.4000112.8E64 K66 V69 L72 L143E64-L145 HydrophobicContact CB-CD2 4.03Å; E64-L145 CarbonylContact O-C 3.58Å; E64-L145 VanDerWaalsContact O-CA 3.29Å; E64-L145 WeakPolarHBondContact O-CA 2.86Å; K66-L145 HydrophobicContact CG-CB 3.88Å; K66-L145 HydrophobicContact CG-CD1 4.28Å; V69-L145 HydrophobicContact CG2-CD2 3.95Å; L72-L145 HydrophobicContact CD2-CD1 3.81Å; L143-L145 HydrophobicContact CD1-CD2 3.85Å; L143-L145 HydrophobicContact CD1-CG 4.36Å; L143-L145 HydrophobicContact CD2-CD1 4.03Å; L143-L145 HydrophobicContact CD2-CD2 3.99Å; L143-L145 HydrophobicContact CD2-CG 3.93Å; L143-L145 HydrophobicContact CG-CD2 3.96Å; L143-L145 HydrophobicContact CG-CG 3.93Å
146F89.5Confident83.4Confident1 Ų144.6 Ų44.60%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-81.3148.7171.2-72.8-89.6000111.6F63 E64 K66 F144 T166 I170 L197 M200F63-F146 HydrophobicContact CB-CE2 4.49Å; F63-F146 HydrophobicContact CD1-CE2 4.08Å; E64-F146 PolarHBondContact O-N 3.13Å; K66-F146 WeakPolarHBondContact CG-O 3.28Å; K66-F146 PolarHBondContact N-O 3.49Å; F144-F146 AromaticContact CD1-CD2 3.89Å; F144-F146 HydrophobicContact CD1-CD2 3.89Å; F144-F146 AromaticContact CD1-CE2 3.4Å; F144-F146 HydrophobicContact CD1-CE2 3.4Å; F144-F146 AromaticContact CD1-CZ 3.8Å; F144-F146 HydrophobicContact CD1-CZ 3.8Å; F144-F146 HydrophobicContact CE1-CD1 4.37Å; F144-F146 HydrophobicContact CE1-CD2 4.06Å; F144-F146 AromaticContact CE1-CE1 3.89Å; F144-F146 HydrophobicContact CE1-CE1 3.89Å; F144-F146 AromaticContact CE1-CE2 3.52Å; F144-F146 HydrophobicContact CE1-CE2 3.52Å; F144-F146 HydrophobicContact CE1-CG 4.44Å; F144-F146 AromaticContact CE1-CZ 3.41Å; F144-F146 HydrophobicContact CE1-CZ 3.41Å; F144-F146 VanDerWaalsContact CE1-CZ 3.41Å; F144-F146 HydrophobicContact CZ-CZ 4.42Å; F146-T166 HydrophobicContact CE1-CG2 3.91Å; F146-T166 HydrophobicContact CZ-CG2 4.33Å; F146-I170 HydrophobicContact CZ-CD1 4.06Å; F146-L197 HydrophobicContact CB-CD2 4.07Å; F146-L197 HydrophobicContact CD2-CD1 4.05Å; F146-L197 HydrophobicContact CD2-CD2 3.9Å; F146-L197 HydrophobicContact CG-CD2 3.93Å; F146-M200 HydrophobicContact CD2-SD 4.14Å; F146-M200 HydrophobicContact CE1-CE 4.26Å; F146-M200 HydrophobicContact CE1-SD 4.2Å; F146-M200 HydrophobicContact CE2-CE 3.42Å; F146-M200 VanDerWaalsContact CE2-CE 3.42Å; F146-M200 HydrophobicContact CE2-SD 3.44Å; F146-M200 WeakPolarHBondContact CE2-SD 3.35Å; F146-M200 HydrophobicContact CZ-CE 3.21Å; F146-M200 HydrophobicContact CZ-SD 3.49Å; F146-M200 WeakPolarHBondContact CZ-SD 3.45Å
147S82.1Confident83.4Confident35 Ų3544.4 Ų44.425%0.24524%0.243CC..  trans-87.6139.4174.2-52.40000109.9K66 S149 Q150K66-S147 PolarHBondContact NZ-OG 3.36Å; S147-S149 PolarHBondContact O-N 3.29Å; S147-Q150 WeakPolarHBondContact O-CB 3.3Å; S147-Q150 PolarHBondContact O-N 2.9Å
148D67.6Low83.5Confident81 Ų8141 Ų4143%0.43323%0.227SC..G310 helixtrans-56.3-26.6-172.2-45.2-26.9000114.2A67 Q150A67-D148 VanDerWaalsContact CB-OD1 3.25Å; A67-D148 WeakPolarHBondContact CB-OD1 3.44Å; A67-D148 PolarHBondContact N-OD1 2.66Å; D148-Q150 VanDerWaalsContact C-N 3.25Å; D148-Q150 PolarHBondContact O-N 3.4Å
149S61.3Low83.4Confident117 Ų11747.2 Ų47.282%0.81826%0.256SS*.G310 helixtrans-77.4-7.4179.764.70000114.3S147S147-S149 PolarHBondContact O-N 3.29Å
150Q64.4Low83.2Confident74 Ų7445.7 Ų45.735%0.34625%0.249SC..G310 helixtrans-90.4-15.9-171.8-67.7-177.7-2800113.3S147 D148S147-Q150 WeakPolarHBondContact O-CB 3.3Å; S147-Q150 PolarHBondContact O-N 2.9Å; D148-Q150 VanDerWaalsContact C-N 3.25Å; D148-Q150 PolarHBondContact O-N 3.4Å
151V66Low83.2Confident6 Ų643.1 Ų43.14%0.03623%0.232CC..  trans-149.6116.5-165.1-169.10000111.6S157 A160 N196 L197V151-S157 VanDerWaalsContact CG1-CA 3.42Å; V151-A160 HydrophobicContact CG2-CB 3.91Å; V151-N196 HydrophobicContact CB-CB 4.4Å; V151-N196 HydrophobicContact CG1-CB 3.91Å; V151-N196 WeakPolarHBondContact CG1-O 3.31Å; V151-L197 HydrophobicContact CB-CD2 4.48Å; V151-L197 HydrophobicContact CG1-CD2 4.44Å; V151-L197 HydrophobicContact CG2-CD2 4.11Å
152D73.5Confident83.1Confident114 Ų11446.4 Ų46.461%0.6124%0.243SC*.SBendtrans-126.1-15.9-178.763.1-5000113.9S156 R236D152-S156 PolarHBondContact N-OG 3.45Å; D152-S156 VanDerWaalsContact OD1-CB 3.31Å; D152-S156 WeakPolarHBondContact OD1-CB 3.43Å; D152-S156 PolarHBondContact OD1-OG 3.3Å; D152-R236 PolarHBondContact O-NH1 3.35Å
153S80.5Confident82.8Confident35 Ų3550.9 Ų50.925%0.24526%0.26CS..SBendtrans-146.4166.3-173.4550000110.5E155 S156 S157S153-E155 VanDerWaalsContact C-N 3.28Å; S153-E155 PolarHBondContact O-N 3.34Å; S153-S156 PolarHBondContact N-OG 3.03Å; S153-S156 PolarHBondContact O-N 3.31Å; S153-S156 PolarHBondContact O-OG 2.95Å; S153-S156 WeakPolarHBondContact OG-CB 2.97Å; S153-S156 PolarHBondContact OG-N 2.92Å; S153-S156 PolarHBondContact OG-OG 3.49Å; S153-S157 WeakPolarHBondContact O-CB 3.38Å; S153-S157 PolarHBondContact O-N 3.31Å
154Y81.8Confident82.2Confident25 Ų2553.6 Ų53.610%0.09828%0.281CS..Hα-helixtrans-59-44.6177.6-176.1-86.3000110.4S157 A158 A198 G199 T240Y154-S157 PolarHBondContact O-N 3.47Å; Y154-S157 PolarHBondContact O-OG 3.22Å; Y154-A158 PolarHBondContact O-N 3.39Å; Y154-A158 VanDerWaalsContact O-N 3.16Å; Y154-A198 HydrophobicContact CD2-CB 3.93Å; Y154-A198 HydrophobicContact CE2-CB 4.27Å; Y154-G199 VanDerWaalsContact CD2-CA 3.49Å; Y154-G199 WeakPolarHBondContact O-CA 3.29Å; Y154-T240 HydrophobicContact CD2-CG2 3.96Å; Y154-T240 HydrophobicContact CG-CG2 4.34Å
155E85.6Confident81.8Confident93 Ų9355.5 Ų55.544%0.43530%0.301SS..Hα-helixtrans-66.8-45.5-178.6-63.771.9-159.900111.8S153 S157 A158 E159 W239S153-E155 VanDerWaalsContact C-N 3.28Å; S153-E155 PolarHBondContact O-N 3.34Å; E155-S157 VanDerWaalsContact C-N 3.28Å; E155-S157 PolarHBondContact O-N 3Å; E155-A158 PolarHBondContact O-N 3.18Å; E155-E159 PolarHBondContact O-N 3.36Å; E155-W239 PolarHBondContact OE1-NE1 2.82Å
156S85.7Confident81.7Confident23 Ų2354.3 Ų54.316%0.16130%0.296CS..Hα-helixtrans-65.9-32.3177.9670000112.3D152 S153 E159 A160D152-S156 PolarHBondContact N-OG 3.45Å; D152-S156 VanDerWaalsContact OD1-CB 3.31Å; D152-S156 WeakPolarHBondContact OD1-CB 3.43Å; D152-S156 PolarHBondContact OD1-OG 3.3Å; S153-S156 PolarHBondContact N-OG 3.03Å; S153-S156 PolarHBondContact O-N 3.31Å; S153-S156 PolarHBondContact O-OG 2.95Å; S153-S156 WeakPolarHBondContact OG-CB 2.97Å; S153-S156 PolarHBondContact OG-N 2.92Å; S153-S156 PolarHBondContact OG-OG 3.49Å; S156-E159 PolarHBondContact O-N 3.38Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 3.08Å
157S87Confident81.9Confident0 Ų055.9 Ų55.90%030%0.303CS..Hα-helixtrans-65.3-40.1174.181.60000113V151 S153 Y154 E155 A160 C161 N196 G199 M200V151-S157 VanDerWaalsContact CG1-CA 3.42Å; S153-S157 WeakPolarHBondContact O-CB 3.38Å; S153-S157 PolarHBondContact O-N 3.31Å; Y154-S157 PolarHBondContact O-N 3.47Å; Y154-S157 PolarHBondContact O-OG 3.22Å; E155-S157 VanDerWaalsContact C-N 3.28Å; E155-S157 PolarHBondContact O-N 3Å; S157-A160 PolarHBondContact O-N 2.86Å; S157-C161 WeakPolarHBondContact O-CB 2.97Å; S157-C161 PolarHBondContact O-N 3.14Å; S157-N196 WeakPolarHBondContact CB-O 3.5Å; S157-N196 PolarHBondContact OG-O 2.93Å; S157-G199 WeakPolarHBondContact OG-CA 3.42Å; S157-G199 PolarHBondContact OG-N 3.07Å; S157-M200 PolarHBondContact OG-N 3.37Å
158A87.7Confident82.5Confident5 Ų559.3 Ų59.34%0.04132%0.315CS..Hα-helixtrans-69.1-42.317900000110.3Y154 E155 C161 R162 G199Y154-A158 PolarHBondContact O-N 3.39Å; Y154-A158 VanDerWaalsContact O-N 3.16Å; E155-A158 PolarHBondContact O-N 3.18Å; A158-C161 PolarHBondContact O-N 3.16Å; A158-R162 WeakPolarHBondContact O-CG 3.46Å; A158-R162 PolarHBondContact O-N 2.65Å; A158-R162 VanDerWaalsContact O-N 3.1Å; A158-G199 VanDerWaalsContact CB-O 3.27Å; A158-G199 WeakPolarHBondContact CB-O 3.12Å
159E88.9Confident83.8Confident132 Ų13259.8 Ų59.862%0.61732%0.318SS*.Hα-helixtrans-63.9-42.1173.3-173.6178.2179.300111.8E155 S156 C161 R162 R163E155-E159 PolarHBondContact O-N 3.36Å; S156-E159 PolarHBondContact O-N 3.38Å; E159-C161 VanDerWaalsContact C-N 3.3Å; E159-C161 PolarHBondContact O-N 3.34Å; E159-R162 PolarHBondContact O-N 3.02Å; E159-R163 PolarHBondContact O-N 3.39Å
160A87.5Confident85.5Confident2 Ų254.2 Ų54.22%0.01728%0.279CS..Hα-helixtrans-59.7-40.817800000112.9V151 S156 S157 R163V151-A160 HydrophobicContact CG2-CB 3.91Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 3.08Å; S157-A160 PolarHBondContact O-N 2.86Å; A160-R163 VanDerWaalsContact CA-CZ 3.45Å; A160-R163 VanDerWaalsContact CA-NH2 3.25Å; A160-R163 PolarHBondContact O-NH1 2.89Å
161C89.4Confident87Confident0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-64.3-45.8173.8-171.70000111.9S157 A158 E159 R163 F167 M200S157-C161 WeakPolarHBondContact O-CB 2.97Å; S157-C161 PolarHBondContact O-N 3.14Å; A158-C161 PolarHBondContact O-N 3.16Å; E159-C161 VanDerWaalsContact C-N 3.3Å; E159-C161 PolarHBondContact O-N 3.34Å; C161-R163 VanDerWaalsContact C-N 3.27Å; C161-R163 PolarHBondContact O-N 3.05Å; C161-F167 WeakPolarHBondContact O-CB 3.34Å; C161-F167 WeakPolarHBondContact O-CD2 3.44Å; C161-M200 HydrophobicContact CB-CB 4.28Å; C161-M200 HydrophobicContact CB-CE 3.94Å; C161-M200 HydrophobicContact CB-CG 3.89Å
162R89.9Confident88.5Confident135 Ų13555.9 Ų55.951%0.50929%0.291SS..Hα-helixtrans-71.2-11.1-175.7-76.6-171.5-66.9-90.32.9115.4A158 E159 S164 T203A158-R162 WeakPolarHBondContact O-CG 3.46Å; A158-R162 PolarHBondContact O-N 2.65Å; A158-R162 VanDerWaalsContact O-N 3.1Å; E159-R162 PolarHBondContact O-N 3.02Å; R162-S164 PolarHBondContact O-N 2.83Å; R162-S164 VanDerWaalsContact O-N 3.14Å; R162-T203 HydrophobicContact CG-CG2 3.82Å; R162-T203 PolarHBondContact NH1-OG1 3.31Å
163R89.3Confident89.6Confident94 Ų9451.6 Ų51.636%0.35527%0.267SS..SBendtrans-58.4119.3174.9-74.2-172.6-103.4100.1-8.4109.3E159 A160 C161 A165 T166 F167E159-R163 PolarHBondContact O-N 3.39Å; A160-R163 VanDerWaalsContact CA-CZ 3.45Å; A160-R163 VanDerWaalsContact CA-NH2 3.25Å; A160-R163 PolarHBondContact O-NH1 2.89Å; C161-R163 VanDerWaalsContact C-N 3.27Å; C161-R163 PolarHBondContact O-N 3.05Å; R163-A165 PolarHBondContact O-N 2.76Å; R163-A165 VanDerWaalsContact O-N 3.14Å; R163-T166 PolarHBondContact NH1-OG1 2.9Å; R163-T166 CarbonylContact O-C 3.25Å; R163-T166 WeakPolarHBondContact O-CA 3.35Å; R163-T166 WeakPolarHBondContact O-CB 3.31Å; R163-T166 PolarHBondContact O-N 2.78Å; R163-F167 PolarHBondContact O-N 3.49Å
164S81.7Confident90.4Very high81 Ų8150 Ų5057%0.56626%0.255SS*.Hα-helixtrans-41-56.9-172.5-161.20000113.7R162 T166 F167 E168R162-S164 PolarHBondContact O-N 2.83Å; R162-S164 VanDerWaalsContact O-N 3.14Å; S164-T166 VanDerWaalsContact C-N 3.3Å; S164-T166 PolarHBondContact O-N 3.5Å; S164-F167 PolarHBondContact O-N 3.47Å; S164-F167 VanDerWaalsContact O-N 3.12Å; S164-E168 WeakPolarHBondContact O-CB 3.27Å; S164-E168 VanDerWaalsContact O-CG 3.29Å; S164-E168 WeakPolarHBondContact O-CG 3.44Å; S164-E168 PolarHBondContact O-N 3.36Å; S164-E168 PolarHBondContact OG-OE1 3.01Å
165A87.8Confident91.1Very high65 Ų6552 Ų5254%0.53726%0.263SS..Hα-helixtrans-60.7-36.7-179.300000113.4R163 D169R163-A165 PolarHBondContact O-N 2.76Å; R163-A165 VanDerWaalsContact O-N 3.14Å; A165-D169 PolarHBondContact O-N 3.14Å
166T89.2Confident91.6Very high23 Ų2350.4 Ų50.414%0.14126%0.255CS..Hα-helixtrans-70.9-42.3176.5-540000110.9F144 F146 R163 S164 D169 I170F144-T166 HydrophobicContact CE1-CG2 4.43Å; F144-T166 HydrophobicContact CZ-CG2 4.09Å; F146-T166 HydrophobicContact CE1-CG2 3.91Å; F146-T166 HydrophobicContact CZ-CG2 4.33Å; R163-T166 PolarHBondContact NH1-OG1 2.9Å; R163-T166 CarbonylContact O-C 3.25Å; R163-T166 WeakPolarHBondContact O-CA 3.35Å; R163-T166 WeakPolarHBondContact O-CB 3.31Å; R163-T166 PolarHBondContact O-N 2.78Å; S164-T166 VanDerWaalsContact C-N 3.3Å; S164-T166 PolarHBondContact O-N 3.5Å; T166-D169 PolarHBondContact O-N 3.05Å; T166-I170 HydrophobicContact CG2-CD1 4.15Å; T166-I170 VanDerWaalsContact O-CG1 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.29Å; T166-I170 PolarHBondContact O-N 2.96Å
167F94.2Very high92Very high34 Ų3449.4 Ų49.415%0.14925%0.247CC..Hα-helixtrans-68.5-39.5-179.9-158.7-108000112.5C161 R163 S164 D169 I170 E171 T203 F207C161-F167 WeakPolarHBondContact O-CB 3.34Å; C161-F167 WeakPolarHBondContact O-CD2 3.44Å; R163-F167 PolarHBondContact O-N 3.49Å; S164-F167 PolarHBondContact O-N 3.47Å; S164-F167 VanDerWaalsContact O-N 3.12Å; F167-D169 VanDerWaalsContact C-N 3.29Å; F167-D169 PolarHBondContact O-N 3.36Å; F167-I170 HydrophobicContact CD2-CD1 4.3Å; F167-I170 HydrophobicContact CE2-CG2 4.4Å; F167-I170 CarbonylContact O-C 3.6Å; F167-I170 WeakPolarHBondContact O-CB 3.25Å; F167-I170 PolarHBondContact O-N 2.87Å; F167-I170 VanDerWaalsContact O-N 3.11Å; F167-E171 HydrophobicContact CD1-CG 3.98Å; F167-E171 WeakPolarHBondContact CD1-OE1 3.23Å; F167-E171 HydrophobicContact CE1-CG 3.75Å; F167-E171 WeakPolarHBondContact CE1-OE1 3.17Å; F167-E171 HydrophobicContact CZ-CG 4.34Å; F167-E171 WeakPolarHBondContact O-CG 3.3Å; F167-E171 PolarHBondContact O-N 3.23Å; F167-T203 HydrophobicContact CD2-CG2 4.16Å; F167-T203 HydrophobicContact CE2-CG2 3.67Å; F167-T203 HydrophobicContact CZ-CG2 4.3Å; F167-F207 AromaticContact CE1-CD2 3.9Å; F167-F207 HydrophobicContact CE1-CD2 3.9Å; F167-F207 HydrophobicContact CE1-CG 4.42Å; F167-F207 HydrophobicContact CZ-CB 3.77Å; F167-F207 AromaticContact CZ-CD2 3.82Å; F167-F207 HydrophobicContact CZ-CD2 3.82Å; F167-F207 AromaticContact CZ-CG 3.87Å; F167-F207 HydrophobicContact CZ-CG 3.87Å
168E94.8Very high92.4Very high106 Ų10650.1 Ų50.150%0.49525%0.251SS..Hα-helixtrans-57.3-41.1173.1-73.3163.5-140.700111.9S164 T172S164-E168 WeakPolarHBondContact O-CB 3.27Å; S164-E168 VanDerWaalsContact O-CG 3.29Å; S164-E168 WeakPolarHBondContact O-CG 3.44Å; S164-E168 PolarHBondContact O-N 3.36Å; S164-E168 PolarHBondContact OG-OE1 3.01Å; E168-T172 WeakPolarHBondContact O-CB 3.38Å; E168-T172 PolarHBondContact O-N 3.47Å; E168-T172 PolarHBondContact O-OG1 2.99Å
169D94.3Very high92.7Very high92 Ų9256.3 Ų56.349%0.49228%0.28SS..Hα-helixtrans-68-42174.6-71.4-29.8000111.4F144 A165 T166 F167 T172 H173F144-D169 HydrophobicContact CE2-CB 3.74Å; F144-D169 HydrophobicContact CZ-CB 4.38Å; A165-D169 PolarHBondContact O-N 3.14Å; T166-D169 PolarHBondContact O-N 3.05Å; F167-D169 VanDerWaalsContact C-N 3.29Å; F167-D169 PolarHBondContact O-N 3.36Å; D169-T172 WeakPolarHBondContact O-CB 3.21Å; D169-T172 PolarHBondContact O-N 3.3Å; D169-H173 PolarHBondContact O-CD2 3.42Å; D169-H173 PolarHBondContact O-N 3.46Å; D169-H173 VanDerWaalsContact O-N 3.09Å
170I96.2Very high92.7Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-59-48.3175.2-70.7169.8000110.7F63 F144 F146 T166 F167 T172 H173 I174 M200 L204F63-I170 HydrophobicContact CE1-CB 4.37Å; F63-I170 HydrophobicContact CE1-CG1 3.95Å; F63-I170 HydrophobicContact CE1-CG2 3.85Å; F63-I170 HydrophobicContact CZ-CG2 3.8Å; F144-I170 HydrophobicContact CD2-CG1 4.22Å; F144-I170 HydrophobicContact CE1-CG1 4.25Å; F144-I170 HydrophobicContact CE2-CG1 3.87Å; F144-I170 HydrophobicContact CZ-CG1 3.89Å; F146-I170 HydrophobicContact CZ-CD1 4.06Å; T166-I170 HydrophobicContact CG2-CD1 4.15Å; T166-I170 VanDerWaalsContact O-CG1 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.29Å; T166-I170 PolarHBondContact O-N 2.96Å; F167-I170 HydrophobicContact CD2-CD1 4.3Å; F167-I170 HydrophobicContact CE2-CG2 4.4Å; F167-I170 CarbonylContact O-C 3.6Å; F167-I170 WeakPolarHBondContact O-CB 3.25Å; F167-I170 PolarHBondContact O-N 2.87Å; F167-I170 VanDerWaalsContact O-N 3.11Å; I170-T172 VanDerWaalsContact C-N 3.29Å; I170-T172 PolarHBondContact O-N 3.09Å; I170-H173 WeakPolarHBondContact O-CB 3.37Å; I170-H173 PolarHBondContact O-N 3.1Å; I170-H173 VanDerWaalsContact O-N 3.09Å; I170-I174 HydrophobicContact CG2-CD1 3.89Å; I170-I174 PolarHBondContact O-N 2.81Å; I170-M200 HydrophobicContact CD1-CE 3.86Å; I170-L204 HydrophobicContact CG2-CD2 3.7Å
171E96.2Very high92.8Very high48 Ų4854.2 Ų54.222%0.22427%0.271CS..Hα-helixtrans-57.6-44.5175.9-75.7-166.6-158.300110.8F167 H173 I174 R175 F207F167-E171 HydrophobicContact CD1-CG 3.98Å; F167-E171 WeakPolarHBondContact CD1-OE1 3.23Å; F167-E171 HydrophobicContact CE1-CG 3.75Å; F167-E171 WeakPolarHBondContact CE1-OE1 3.17Å; F167-E171 HydrophobicContact CZ-CG 4.34Å; F167-E171 WeakPolarHBondContact O-CG 3.3Å; F167-E171 PolarHBondContact O-N 3.23Å; E171-H173 PolarHBondContact O-N 3.09Å; E171-I174 PolarHBondContact O-N 2.86Å; E171-I174 VanDerWaalsContact O-N 3.08Å; E171-R175 VanDerWaalsContact O-CB 3.24Å; E171-R175 WeakPolarHBondContact O-CB 3.42Å; E171-R175 VanDerWaalsContact O-CG 3.32Å; E171-R175 WeakPolarHBondContact O-CG 3.11Å; E171-R175 PolarHBondContact O-N 3.27Å; E171-R175 IonicContact OE2-CZ 3.67Å; E171-R175 IonicContact OE2-NE 3.16Å; E171-R175 PolarHBondContact OE2-NE 3.35Å; E171-R175 VanDerWaalsContact OE2-NE 3.16Å; E171-R175 IonicContact OE2-NH2 2.71Å; E171-R175 PolarHBondContact OE2-NH2 2.98Å; E171-R175 VanDerWaalsContact OE2-NH2 3.16Å; E171-F207 HydrophobicContact CG-CD2 4.22Å; E171-F207 HydrophobicContact CG-CE2 3.62Å; E171-F207 HydrophobicContact CG-CZ 4.02Å
172T96.7Very high92.7Very high67 Ų6762.7 Ų62.741%0.41132%0.316SS..Hα-helixtrans-58.1-37.1177.6-60.80000111.9E168 D169 I170 F176E168-T172 WeakPolarHBondContact O-CB 3.38Å; E168-T172 PolarHBondContact O-N 3.47Å; E168-T172 PolarHBondContact O-OG1 2.99Å; D169-T172 WeakPolarHBondContact O-CB 3.21Å; D169-T172 PolarHBondContact O-N 3.3Å; I170-T172 VanDerWaalsContact C-N 3.29Å; I170-T172 PolarHBondContact O-N 3.09Å; T172-F176 WeakPolarHBondContact O-CB 3.37Å; T172-F176 PolarHBondContact O-N 3.28Å
173H97.3Very high92.6Very high24 Ų2462 Ų6211%0.11131%0.314CS..Hα-helixtrans-69-40.5175.9-78.7-124.7000112.2V61 K141 L143 D169 I170 E171 F177V61-H173 HydrophobicContact CG1-CB 4.14Å; K141-H173 PolarHBondContact O-ND1 3.43Å; L143-H173 PolarHBondContact O-CE1 3.28Å; D169-H173 PolarHBondContact O-CD2 3.42Å; D169-H173 PolarHBondContact O-N 3.46Å; D169-H173 VanDerWaalsContact O-N 3.09Å; I170-H173 WeakPolarHBondContact O-CB 3.37Å; I170-H173 PolarHBondContact O-N 3.1Å; I170-H173 VanDerWaalsContact O-N 3.09Å; E171-H173 PolarHBondContact O-N 3.09Å; H173-F177 WeakPolarHBondContact O-CD2 3.24Å
174I97.9Very high92.7Very high0 Ų058.3 Ų58.30%030%0.302CS..Hα-helixtrans-72.1-53.1179.3-64.2165.6000110.9L9 V61 F63 I170 E171 F176 F177 T178 L204 F207 F208L9-I174 HydrophobicContact CD2-CG2 4.12Å; V61-I174 HydrophobicContact CG2-CG1 4.24Å; F63-I174 HydrophobicContact CZ-CD1 4.42Å; I170-I174 HydrophobicContact CG2-CD1 3.89Å; I170-I174 PolarHBondContact O-N 2.81Å; E171-I174 PolarHBondContact O-N 2.86Å; E171-I174 VanDerWaalsContact O-N 3.08Å; I174-F176 PolarHBondContact O-N 3.4Å; I174-F177 PolarHBondContact O-N 3.44Å; I174-T178 HydrophobicContact CG2-CG2 4.02Å; I174-T178 PolarHBondContact O-N 2.85Å; I174-T178 VanDerWaalsContact O-N 3.13Å; I174-T178 PolarHBondContact O-OG1 2.91Å; I174-L204 HydrophobicContact CD1-CD2 4.09Å; I174-F207 HydrophobicContact CB-CE1 4.38Å; I174-F207 HydrophobicContact CD1-CD1 4.16Å; I174-F207 HydrophobicContact CD1-CE1 3.95Å; I174-F207 HydrophobicContact CG2-CE1 3.92Å; I174-F208 HydrophobicContact CD1-CE2 4.16Å; I174-F208 HydrophobicContact CD1-CZ 3.79Å; I174-F208 HydrophobicContact CG1-CZ 4.11Å; I174-F208 HydrophobicContact CG2-CE1 3.52Å; I174-F208 HydrophobicContact CG2-CZ 3.63Å
175R96.3Very high93.1Very high69 Ų6954.5 Ų54.526%0.2628%0.275SS..Hα-helixtrans-52.3-38.2178.6-74.1-180-174-84-5.1111.8E171 F177 T178 E179 E211E171-R175 VanDerWaalsContact O-CB 3.24Å; E171-R175 WeakPolarHBondContact O-CB 3.42Å; E171-R175 VanDerWaalsContact O-CG 3.32Å; E171-R175 WeakPolarHBondContact O-CG 3.11Å; E171-R175 PolarHBondContact O-N 3.27Å; E171-R175 IonicContact OE2-CZ 3.67Å; E171-R175 IonicContact OE2-NE 3.16Å; E171-R175 PolarHBondContact OE2-NE 3.35Å; E171-R175 VanDerWaalsContact OE2-NE 3.16Å; E171-R175 IonicContact OE2-NH2 2.71Å; E171-R175 PolarHBondContact OE2-NH2 2.98Å; E171-R175 VanDerWaalsContact OE2-NH2 3.16Å; R175-F177 VanDerWaalsContact C-N 3.26Å; R175-F177 PolarHBondContact O-N 3.38Å; R175-T178 WeakPolarHBondContact CA-OG1 3.37Å; R175-T178 PolarHBondContact O-N 3.4Å; R175-T178 PolarHBondContact O-OG1 2.92Å; R175-E179 HydrophobicContact CB-CG 4.37Å; R175-E179 VanDerWaalsContact O-CB 3.24Å; R175-E179 WeakPolarHBondContact O-CB 3.24Å; R175-E179 VanDerWaalsContact O-CG 3.29Å; R175-E179 WeakPolarHBondContact O-CG 3.47Å; R175-E179 PolarHBondContact O-N 3.4Å; R175-E211 IonicContact CZ-OE1 3.61Å; R175-E211 VanDerWaalsContact CZ-OE1 3.29Å; R175-E211 IonicContact NH1-OE1 3.79Å; R175-E211 PolarHBondContact NH1-OE1 3.05Å; R175-E211 IonicContact NH2-OE1 3.16Å; R175-E211 PolarHBondContact NH2-OE1 3Å; R175-E211 VanDerWaalsContact NH2-OE1 3.14Å; R175-E211 IonicContact NH2-OE2 3.29Å
176F95.5Very high93.5Very high59 Ų5951.4 Ų51.426%0.25925%0.25SC..Hα-helixtrans-51.6-43174.5176.4-91.4000113.4H139 K141 T172 I174 E180H139-F176 AromaticContact CE1-CD1 3.98Å; H139-F176 AromaticContact CE1-CE1 3.21Å; H139-F176 WeakPolarHBondContact CE1-CE1 3.45Å; H139-F176 AromaticContact CE1-CE2 3.54Å; H139-F176 AromaticContact CE1-CZ 2.95Å; H139-F176 WeakPolarHBondContact CE1-CZ 3.27Å; H139-F176 AromaticContact CG-CE1 3.85Å; H139-F176 AromaticContact ND1-CD1 3.78Å; H139-F176 AromaticContact ND1-CE1 3.16Å; H139-F176 WeakPolarHBondContact ND1-CE1 3.39Å; H139-F176 AromaticContact ND1-CZ 3.47Å; H139-F176 WeakPolarHBondContact ND1-CZ 3.22Å; H139-F176 AromaticContact NE2-CE1 3.88Å; H139-F176 AromaticContact NE2-CZ 3.39Å; H139-F176 WeakPolarHBondContact NE2-CZ 3.22Å; K141-F176 HydrophobicContact CB-CB 4.25Å; K141-F176 HydrophobicContact CB-CD1 3.81Å; K141-F176 HydrophobicContact CB-CE1 4.43Å; K141-F176 HydrophobicContact CB-CG 3.95Å; K141-F176 HydrophobicContact CG-CB 4.19Å; K141-F176 HydrophobicContact CG-CD1 4.12Å; K141-F176 HydrophobicContact CG-CD2 4.07Å; K141-F176 HydrophobicContact CG-CG 3.82Å; T172-F176 WeakPolarHBondContact O-CB 3.37Å; T172-F176 PolarHBondContact O-N 3.28Å; I174-F176 PolarHBondContact O-N 3.4Å; F176-E180 WeakPolarHBondContact O-CG 3.45Å
177F95.5Very high93.8Very high2 Ų250.3 Ų50.31%0.00924%0.243CC..Hα-helixtrans-87.3-25.4-179.3-65-75.4000113.4L9 R59 V60 V61 H139 K141 S142 H173 I174 R175 E180L9-F177 HydrophobicContact CD1-CB 3.85Å; L9-F177 HydrophobicContact CD1-CD2 4.46Å; L9-F177 HydrophobicContact CD1-CG 4.28Å; R59-F177 HydrophobicContact CB-CD1 4.4Å; R59-F177 HydrophobicContact CG-CD1 4.17Å; V60-F177 WeakPolarHBondContact O-CE2 3.23Å; V60-F177 WeakPolarHBondContact O-CZ 3.38Å; V61-F177 HydrophobicContact CG2-CD2 3.56Å; V61-F177 HydrophobicContact CG2-CE2 3.74Å; H139-F177 HydrophobicContact CB-CE1 4.14Å; H139-F177 HydrophobicContact CB-CZ 3.98Å; K141-F177 HydrophobicContact CB-CE2 4.06Å; K141-F177 HydrophobicContact CB-CZ 4.27Å; S142-F177 VanDerWaalsContact OG-CZ 3.29Å; S142-F177 WeakPolarHBondContact OG-CZ 3.43Å; H173-F177 WeakPolarHBondContact O-CD2 3.24Å; I174-F177 PolarHBondContact O-N 3.44Å; R175-F177 VanDerWaalsContact C-N 3.26Å; R175-F177 PolarHBondContact O-N 3.38Å; F177-E180 WeakPolarHBondContact CD1-OE1 3.49Å; F177-E180 WeakPolarHBondContact O-CG 3.41Å
178T94.4Very high94Very high14 Ų1448.8 Ų48.89%0.08624%0.236CC..Hα-helixtrans-86.6-29.7-178.5610000112.8L9 I174 R175 V181 L184L9-T178 HydrophobicContact CD2-CG2 3.79Å; I174-T178 HydrophobicContact CG2-CG2 4.02Å; I174-T178 PolarHBondContact O-N 2.85Å; I174-T178 VanDerWaalsContact O-N 3.13Å; I174-T178 PolarHBondContact O-OG1 2.91Å; R175-T178 WeakPolarHBondContact CA-OG1 3.37Å; R175-T178 PolarHBondContact O-N 3.4Å; R175-T178 PolarHBondContact O-OG1 2.92Å; T178-V181 WeakPolarHBondContact O-CG2 2.97Å; T178-L184 HydrophobicContact CG2-CD2 3.89Å
179E93.4Very high94.2Very high135 Ų13543.7 Ų43.763%0.63121%0.213SC*.Hα-helixtrans-81.3-22.4177.6-66.6175.4-176.200112.9R175 V181R175-E179 HydrophobicContact CB-CG 4.37Å; R175-E179 VanDerWaalsContact O-CB 3.24Å; R175-E179 WeakPolarHBondContact O-CB 3.24Å; R175-E179 VanDerWaalsContact O-CG 3.29Å; R175-E179 WeakPolarHBondContact O-CG 3.47Å; R175-E179 PolarHBondContact O-N 3.4Å; E179-V181 PolarHBondContact O-N 3.16Å
180E89.6Confident94.4Very high68 Ų6839.3 Ų39.332%0.31819%0.189SC..THydrogen-bonded Turntrans-77.9-4.5176.969.7175.3177.100113.5R45 R59 F176 F177R45-E180 WeakPolarHBondContact CD-OE1 3.44Å; R45-E180 IonicContact CZ-OE2 3.96Å; R45-E180 IonicContact NE-OE1 3.14Å; R45-E180 PolarHBondContact NE-OE1 3.2Å; R45-E180 VanDerWaalsContact NE-OE1 3.08Å; R45-E180 IonicContact NE-OE2 3.81Å; R45-E180 PolarHBondContact NE-OE2 3.03Å; R45-E180 IonicContact NH2-OE2 2.63Å; R45-E180 PolarHBondContact NH2-OE2 3.33Å; R59-E180 IonicContact CZ-OE1 3.3Å; R59-E180 IonicContact NH1-OE1 3.13Å; R59-E180 PolarHBondContact NH1-OE1 2.82Å; R59-E180 IonicContact NH1-OE2 2.63Å; F176-E180 WeakPolarHBondContact O-CG 3.45Å; F177-E180 WeakPolarHBondContact CD1-OE1 3.49Å; F177-E180 WeakPolarHBondContact O-CG 3.41Å
181V89.9Confident94.4Very high22 Ų2239.3 Ų39.313%0.13319%0.189CC..  trans-117.4131-179-59.20000110.6A7 T178 E179 Y183 L184A7-V181 HydrophobicContact CB-CB 3.82Å; A7-V181 HydrophobicContact CB-CG1 3.57Å; A7-V181 HydrophobicContact CB-CG2 4.1Å; T178-V181 WeakPolarHBondContact O-CG2 2.97Å; E179-V181 PolarHBondContact O-N 3.16Å; V181-Y183 PolarHBondContact O-N 3.36Å; V181-L184 HydrophobicContact CG2-CB 4.24Å; V181-L184 HydrophobicContact CG2-CD1 4.37Å
182D86.7Confident94.4Very high179 Ų17937.2 Ų37.296%0.95718%0.179SC*.SBendtrans-63.6-31177.4-62.4-41.8000112.2
183Y87.5Confident94.2Very high119 Ų11934 Ų3447%0.46716%0.16SC..  trans-146.3111.9-177.9-178.5-98.2000111.3K6 A7 V181 G185K6-Y183 HydrophobicContact CB-CD1 4.31Å; K6-Y183 HydrophobicContact CB-CE1 4.26Å; K6-Y183 HydrophobicContact CD-CE1 4.24Å; K6-Y183 HydrophobicContact CG-CD1 4.05Å; K6-Y183 HydrophobicContact CG-CE1 3.89Å; A7-Y183 PolarHBondContact N-O 2.78Å; V181-Y183 PolarHBondContact O-N 3.36Å; Y183-G185 PolarHBondContact O-N 3.27Å
184L92.5Very high93.8Very high17 Ų1733.6 Ų33.69%0.08916%0.159CC..EExtended strand (participates in β ladder)trans-82.1108.9170.8-171.964.7000109.5L9 T178 V181 I187 V215L9-L184 HydrophobicContact CB-CD1 3.85Å; T178-L184 HydrophobicContact CG2-CD2 3.89Å; V181-L184 HydrophobicContact CG2-CB 4.24Å; V181-L184 HydrophobicContact CG2-CD1 4.37Å; L184-I187 HydrophobicContact CD2-CD1 4.28Å; L184-I187 HydrophobicContact CD2-CG1 4.15Å; L184-V215 HydrophobicContact CB-CG2 4.19Å; L184-V215 HydrophobicContact CD2-CG1 3.91Å; L184-V215 HydrophobicContact CD2-CG2 4.16Å; L184-V215 HydrophobicContact CG-CG1 3.87Å; L184-V215 HydrophobicContact CG-CG2 4.3Å
185G90.3Very high93.4Very high1 Ų134.2 Ų34.21%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-83.7-12.3-174.700000116A7 Y183 P216A7-G185 WeakPolarHBondContact O-CA 3.29Å; A7-G185 PolarHBondContact O-N 3.17Å; Y183-G185 PolarHBondContact O-N 3.27Å; G185-P216 WeakPolarHBondContact O-CG 3.19Å
186G94.3Very high93Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans168.9161.1-179.900000113.6L8 L9 P216 M311L8-G186 WeakPolarHBondContact CA-O 3.39Å; L9-G186 PolarHBondContact N-O 3.28Å; L9-G186 VanDerWaalsContact N-O 3.14Å; G186-P216 WeakPolarHBondContact CA-O 3.42Å; G186-M311 VanDerWaalsContact CA-CE 3.5Å
187I97.1Very high92.9Very high1 Ų130.4 Ų30.41%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-120.3129.4175.1-63.6157000110L9 V11 L184 F189 F208 V215 P216 I217 L218L9-I187 HydrophobicContact CB-CG1 4.34Å; L9-I187 CarbonylContact O-C 3.54Å; L9-I187 VanDerWaalsContact O-CA 3.26Å; L9-I187 WeakPolarHBondContact O-CA 3.35Å; V11-I187 HydrophobicContact CG2-CG2 4.34Å; L184-I187 HydrophobicContact CD2-CD1 4.28Å; L184-I187 HydrophobicContact CD2-CG1 4.15Å; I187-F189 HydrophobicContact CG2-CB 4.46Å; I187-F208 HydrophobicContact CD1-CB 4.23Å; I187-F208 HydrophobicContact CD1-CD1 3.38Å; I187-F208 HydrophobicContact CD1-CE1 3.91Å; I187-F208 HydrophobicContact CD1-CG 3.9Å; I187-V215 HydrophobicContact CD1-CB 4.38Å; I187-V215 HydrophobicContact CD1-CG1 3.82Å; I187-V215 HydrophobicContact CG1-CG1 3.84Å; I187-P216 PolarHBondContact N-O 3.09Å; I187-I217 HydrophobicContact CB-CG1 4.2Å; I187-I217 HydrophobicContact CB-CG2 4.36Å; I187-I217 HydrophobicContact CD1-CD1 4.46Å; I187-I217 HydrophobicContact CD1-CG1 4.12Å; I187-I217 HydrophobicContact CG2-CG2 4.26Å; I187-I217 WeakPolarHBondContact O-CA 3.48Å; I187-L218 PolarHBondContact O-N 2.83Å
188H97.3Very high92.7Very high1 Ų130.3 Ų30.31%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-95.7115164.1-63.7153.9000108.5L9 T10 V11 W24 L190 C299 W302 M311L9-H188 PolarHBondContact O-N 3Å; T10-H188 CarbonylContact C-O 3.59Å; T10-H188 WeakPolarHBondContact CA-O 3.24Å; T10-H188 HydrophobicContact CG2-CB 4.27Å; V11-H188 PolarHBondContact N-O 2.74Å; W24-H188 AromaticContact CH2-ND1 3.21Å; W24-H188 WeakPolarHBondContact CH2-ND1 3.36Å; W24-H188 AromaticContact CZ2-ND1 3.79Å; H188-L190 HydrophobicContact CB-CD1 4.13Å; H188-C299 VanDerWaalsContact CE1-SG 3.53Å; H188-W302 AromaticContact CE1-NE1 3.47Å; H188-W302 PolarHBondContact CE1-NE1 2.79Å; H188-W302 AromaticContact NE2-CE2 3.66Å; H188-W302 AromaticContact NE2-CZ2 3.55Å; H188-W302 AromaticContact NE2-NE1 3.27Å; H188-W302 PolarHBondContact NE2-NE1 3.24Å; H188-M311 PolarHBondContact CD2-SD 3.28Å; H188-M311 PolarHBondContact NE2-SD 3.19Å
189F98.4Very high92.5Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-109.898.1-177.4-161.1-72.4000110.1V11 V13 I187 C191 T201 L204 L205 F208 I217 L218 L220 M248V11-F189 HydrophobicContact CB-CD2 3.85Å; V11-F189 HydrophobicContact CB-CE2 4.06Å; V11-F189 HydrophobicContact CB-CG 4.43Å; V11-F189 HydrophobicContact CG1-CD2 3.99Å; V11-F189 HydrophobicContact CG1-CE2 3.66Å; V11-F189 HydrophobicContact CG1-CZ 4.08Å; V11-F189 HydrophobicContact CG2-CD2 4.41Å; V13-F189 HydrophobicContact CG2-CE1 4.02Å; V13-F189 HydrophobicContact CG2-CZ 3.9Å; I187-F189 HydrophobicContact CG2-CB 4.46Å; F189-C191 HydrophobicContact CD1-CB 4.43Å; F189-C191 HydrophobicContact CE1-CB 4.09Å; F189-T201 HydrophobicContact CE1-CG2 3.77Å; F189-T201 HydrophobicContact CZ-CG2 4.33Å; F189-L204 HydrophobicContact CE2-CB 3.82Å; F189-L204 HydrophobicContact CE2-CD1 4.48Å; F189-L204 HydrophobicContact CZ-CB 3.81Å; F189-L204 HydrophobicContact CZ-CD1 4.07Å; F189-L205 HydrophobicContact CB-CD2 4.4Å; F189-L205 HydrophobicContact CD1-CD2 4.25Å; F189-L205 HydrophobicContact CD2-CD2 3.68Å; F189-L205 HydrophobicContact CD2-CG 4.38Å; F189-L205 HydrophobicContact CE1-CG 4.43Å; F189-L205 HydrophobicContact CE2-CD2 3.94Å; F189-L205 HydrophobicContact CE2-CG 4.16Å; F189-L205 HydrophobicContact CG-CD2 3.84Å; F189-L205 HydrophobicContact CZ-CD2 4.35Å; F189-L205 HydrophobicContact CZ-CG 4.19Å; F189-F208 HydrophobicContact CD2-CD2 4.37Å; F189-F208 HydrophobicContact CD2-CE2 4.41Å; F189-F208 HydrophobicContact CE2-CD2 4.18Å; F189-F208 HydrophobicContact CE2-CE2 4.13Å; F189-I217 HydrophobicContact CB-CG2 3.87Å; F189-L218 PolarHBondContact N-O 3.1Å; F189-L220 PolarHBondContact O-N 3.39Å; F189-M248 HydrophobicContact CD1-CE 4.14Å
190L98.7Very high92.4Very high0 Ų023.2 Ų23.20%012%0.116CC..EExtended strand (participates in β ladder)trans-94.5131.3175.7-69.873.5000109T10 V11 Q12 V13 A17 V20 H188 L220 L295T10-L190 HydrophobicContact CG2-CD1 3.96Å; V11-L190 PolarHBondContact O-N 2.9Å; Q12-L190 CarbonylContact C-O 3.54Å; Q12-L190 WeakPolarHBondContact CA-O 3.43Å; V13-L190 PolarHBondContact N-O 2.78Å; A17-L190 HydrophobicContact CB-CB 4.04Å; V20-L190 HydrophobicContact CB-CD2 4.44Å; V20-L190 HydrophobicContact CG1-CD2 4.11Å; H188-L190 HydrophobicContact CB-CD1 4.13Å; L190-L220 WeakPolarHBondContact CA-O 3.43Å; L190-L220 HydrophobicContact CD1-CB 4.39Å; L190-L220 HydrophobicContact CD1-CD1 3.73Å; L190-L220 HydrophobicContact CG-CB 3.96Å; L190-L220 HydrophobicContact CG-CD1 4.08Å; L190-L295 HydrophobicContact CD1-CD2 4.34Å; L190-L295 HydrophobicContact CD2-CD2 3.85Å; L190-L295 HydrophobicContact CG-CD2 4.47Å
191C97.7Very high92.7Very high0 Ų020 Ų200%010%0.101CC..EExtended strand (participates in β ladder)trans-137.5150.8172.8760000111.5V13 F189 P193 T201 L220 P221 C222 T244 M248V13-C191 HydrophobicContact CB-CB 4.1Å; V13-C191 CarbonylContact O-C 3.5Å; V13-C191 WeakPolarHBondContact O-CA 3.44Å; F189-C191 HydrophobicContact CD1-CB 4.43Å; F189-C191 HydrophobicContact CE1-CB 4.09Å; C191-P193 WeakPolarHBondContact O-CD 3.39Å; C191-T201 HydrophobicContact CB-CG2 4.49Å; C191-L220 PolarHBondContact N-O 3.42Å; C191-P221 WeakPolarHBondContact O-CA 3.49Å; C191-C222 PolarHBondContact O-N 3.19Å; C191-T244 VanDerWaalsContact SG-CG2 3.59Å; C191-M248 HydrophobicContact CB-CE 4.33Å; C191-M248 WeakPolarHBondContact SG-CE 3.35Å
192D95.3Very high92.8Very high3 Ų319.7 Ų19.72%0.01610%0.101CC..  trans-96.2104.4169178.9-8000108.7V13 Y16 A17 V194 S195 H224V13-D192 PolarHBondContact O-N 3.14Å; Y16-D192 VanDerWaalsContact CB-OD2 3.3Å; Y16-D192 WeakPolarHBondContact CB-OD2 3.02Å; Y16-D192 PolarHBondContact N-OD2 3.38Å; A17-D192 HydrophobicContact CB-CB 4.32Å; D192-V194 PolarHBondContact O-N 3.42Å; D192-V194 VanDerWaalsContact O-N 3.13Å; D192-V194 WeakPolarHBondContact OD1-CG2 3.41Å; D192-V194 PolarHBondContact OD1-N 3.31Å; D192-S195 PolarHBondContact O-N 2.81Å; D192-S195 PolarHBondContact O-OG 2.86Å; D192-S195 PolarHBondContact OD1-N 3.02Å; D192-H224 IonicContact OD2-NE2 2.78Å
193P92.1Very high93.2Very high0 Ų011.6 Ų11.60%06%0.058CC..THydrogen-bonded Turntrans-69.7-8.9-174.4-20.436.3000114C191 P221 C222 W223 T240 T244C191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-P221 HydrophobicContact CG-CB 3.8Å; P193-C222 WeakPolarHBondContact CD-O 3.25Å; P193-W223 HydrophobicContact CB-CZ2 4.04Å; P193-W223 HydrophobicContact CG-CD2 4.06Å; P193-W223 HydrophobicContact CG-CH2 4.14Å; P193-W223 HydrophobicContact CG-CZ2 3.64Å; P193-T240 WeakPolarHBondContact O-CB 3.26Å; P193-T240 PolarHBondContact O-OG1 2.85Å; P193-T244 HydrophobicContact CB-CG2 4.24Å; P193-T244 HydrophobicContact CG-CG2 4.13Å
194V88.5Confident93.6Very high16 Ų165.9 Ų5.910%0.0974%0.036CC..THydrogen-bonded Turntrans-108.7-8.6177.8-61.20000113.1D192 F227 V232 L237D192-V194 PolarHBondContact O-N 3.42Å; D192-V194 VanDerWaalsContact O-N 3.13Å; D192-V194 WeakPolarHBondContact OD1-CG2 3.41Å; D192-V194 PolarHBondContact OD1-N 3.31Å; V194-F227 HydrophobicContact CB-CE1 4.46Å; V194-F227 HydrophobicContact CG1-CE1 3.92Å; V194-F227 HydrophobicContact CG1-CZ 4.32Å; V194-F227 HydrophobicContact CG2-CE1 3.95Å; V194-V232 HydrophobicContact CB-CG2 4.38Å; V194-L237 HydrophobicContact CG1-CD1 3.42Å; V194-L237 VanDerWaalsContact CG1-CD1 3.42Å
195S90Very high93.9Very high12 Ų125.1 Ų5.18%0.0843%0.031CC..SBendtrans-61.9158.9173.670.80000111.5D192 L197 A198D192-S195 PolarHBondContact O-N 2.81Å; D192-S195 PolarHBondContact O-OG 2.86Å; D192-S195 PolarHBondContact OD1-N 3.02Å; S195-L197 PolarHBondContact O-N 3.43Å; S195-L197 PolarHBondContact OG-N 2.93Å; S195-A198 VanDerWaalsContact O-CB 3.25Å; S195-A198 WeakPolarHBondContact O-CB 3.43Å; S195-A198 PolarHBondContact O-N 3.29Å; S195-A198 PolarHBondContact OG-N 2.55Å
196N88.8Confident94.1Very high48 Ų489 Ų926%0.2575%0.049SC..G310 helixtrans-64.3-27.2173.5-66.6-27.7000111E65 V151 S157 A198 R236E65-N196 WeakPolarHBondContact OE1-CB 3.48Å; E65-N196 PolarHBondContact OE1-ND2 3.36Å; E65-N196 WeakPolarHBondContact OE2-CB 3.45Å; V151-N196 HydrophobicContact CB-CB 4.4Å; V151-N196 HydrophobicContact CG1-CB 3.91Å; V151-N196 WeakPolarHBondContact CG1-O 3.31Å; S157-N196 WeakPolarHBondContact CB-O 3.5Å; S157-N196 PolarHBondContact OG-O 2.93Å; N196-A198 PolarHBondContact O-N 3.17Å; N196-R236 PolarHBondContact OD1-NH2 3.33Å
197L92.3Very high94.2Very high0 Ų09.6 Ų9.60%05%0.052CC..G310 helixtrans-79.51.1178.1-55.8-176.5000114.3V13 F63 E65 F146 V151 S195 G199 M200V13-L197 HydrophobicContact CG1-CB 3.96Å; F63-L197 HydrophobicContact CB-CD1 4.42Å; E65-L197 HydrophobicContact CG-CD1 4.19Å; E65-L197 HydrophobicContact CG-CD2 3.95Å; E65-L197 HydrophobicContact CG-CG 3.94Å; F146-L197 HydrophobicContact CB-CD2 4.07Å; F146-L197 HydrophobicContact CD2-CD1 4.05Å; F146-L197 HydrophobicContact CD2-CD2 3.9Å; F146-L197 HydrophobicContact CG-CD2 3.93Å; V151-L197 HydrophobicContact CB-CD2 4.48Å; V151-L197 HydrophobicContact CG1-CD2 4.44Å; V151-L197 HydrophobicContact CG2-CD2 4.11Å; S195-L197 PolarHBondContact O-N 3.43Å; S195-L197 PolarHBondContact OG-N 2.93Å; L197-G199 VanDerWaalsContact C-N 3.27Å; L197-G199 PolarHBondContact O-N 3.49Å; L197-G199 VanDerWaalsContact O-N 3.14Å; L197-M200 HydrophobicContact CB-CG 4.45Å; L197-M200 HydrophobicContact CB-SD 4.07Å; L197-M200 HydrophobicContact CD2-SD 3.95Å; L197-M200 HydrophobicContact CG-SD 4.41Å; L197-M200 VanDerWaalsContact O-CB 3.31Å; L197-M200 WeakPolarHBondContact O-CB 3.28Å; L197-M200 WeakPolarHBondContact O-CG 3.35Å; L197-M200 PolarHBondContact O-N 3.31Å
198A91Very high94.2Very high1 Ų19.6 Ų9.61%0.0085%0.052CC..G310 helixtrans-55.1-37.7-17100000113.9Y154 S195 N196 M200 T201Y154-A198 HydrophobicContact CD2-CB 3.93Å; Y154-A198 HydrophobicContact CE2-CB 4.27Å; S195-A198 VanDerWaalsContact O-CB 3.25Å; S195-A198 WeakPolarHBondContact O-CB 3.43Å; S195-A198 PolarHBondContact O-N 3.29Å; S195-A198 PolarHBondContact OG-N 2.55Å; N196-A198 PolarHBondContact O-N 3.17Å; A198-M200 VanDerWaalsContact C-N 3.26Å; A198-M200 PolarHBondContact O-N 3.46Å; A198-T201 WeakPolarHBondContact O-CB 3.36Å; A198-T201 PolarHBondContact O-N 3.26Å; A198-T201 VanDerWaalsContact O-N 3.14Å; A198-T201 PolarHBondContact O-OG1 3.07Å
199G90.1Very high93.9Very high0 Ų011.3 Ų11.30%06%0.064CC..G310 helixtrans-75.2-9.4-17900000115.2Y154 S157 A158 L197 T201Y154-G199 VanDerWaalsContact CD2-CA 3.49Å; Y154-G199 WeakPolarHBondContact O-CA 3.29Å; S157-G199 WeakPolarHBondContact OG-CA 3.42Å; S157-G199 PolarHBondContact OG-N 3.07Å; A158-G199 VanDerWaalsContact CB-O 3.27Å; A158-G199 WeakPolarHBondContact CB-O 3.12Å; L197-G199 VanDerWaalsContact C-N 3.27Å; L197-G199 PolarHBondContact O-N 3.49Å; L197-G199 VanDerWaalsContact O-N 3.14Å; G199-T201 PolarHBondContact O-N 3.15Å
200M93.3Very high93.7Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-65.6-23.8166.5-57.5-17355.200112.6V13 F63 F146 S157 C161 I170 L197 A198 A202 T203 L204V13-M200 HydrophobicContact CG1-CB 4.42Å; F63-M200 HydrophobicContact CD1-CE 4.19Å; F63-M200 HydrophobicContact CG-CE 4.49Å; F146-M200 HydrophobicContact CD2-SD 4.14Å; F146-M200 HydrophobicContact CE1-CE 4.26Å; F146-M200 HydrophobicContact CE1-SD 4.2Å; F146-M200 HydrophobicContact CE2-CE 3.42Å; F146-M200 VanDerWaalsContact CE2-CE 3.42Å; F146-M200 HydrophobicContact CE2-SD 3.44Å; F146-M200 WeakPolarHBondContact CE2-SD 3.35Å; F146-M200 HydrophobicContact CZ-CE 3.21Å; F146-M200 HydrophobicContact CZ-SD 3.49Å; F146-M200 WeakPolarHBondContact CZ-SD 3.45Å; S157-M200 PolarHBondContact OG-N 3.37Å; C161-M200 HydrophobicContact CB-CB 4.28Å; C161-M200 HydrophobicContact CB-CE 3.94Å; C161-M200 HydrophobicContact CB-CG 3.89Å; I170-M200 HydrophobicContact CD1-CE 3.86Å; L197-M200 HydrophobicContact CB-CG 4.45Å; L197-M200 HydrophobicContact CB-SD 4.07Å; L197-M200 HydrophobicContact CD2-SD 3.95Å; L197-M200 HydrophobicContact CG-SD 4.41Å; L197-M200 VanDerWaalsContact O-CB 3.31Å; L197-M200 WeakPolarHBondContact O-CB 3.28Å; L197-M200 WeakPolarHBondContact O-CG 3.35Å; L197-M200 PolarHBondContact O-N 3.31Å; A198-M200 VanDerWaalsContact C-N 3.26Å; A198-M200 PolarHBondContact O-N 3.46Å; M200-A202 VanDerWaalsContact C-N 3.27Å; M200-A202 PolarHBondContact O-N 2.82Å; M200-T203 PolarHBondContact O-N 2.95Å; M200-L204 HydrophobicContact CB-CD1 4.34Å; M200-L204 HydrophobicContact CE-CD1 4.44Å; M200-L204 WeakPolarHBondContact O-CG 3.25Å; M200-L204 PolarHBondContact O-N 2.83Å
201T94.5Very high93.5Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-53.5-44.6-177.3-58.50000111.6F189 C191 A198 G199 L205 T244 M248F189-T201 HydrophobicContact CE1-CG2 3.77Å; F189-T201 HydrophobicContact CZ-CG2 4.33Å; C191-T201 HydrophobicContact CB-CG2 4.49Å; A198-T201 WeakPolarHBondContact O-CB 3.36Å; A198-T201 PolarHBondContact O-N 3.26Å; A198-T201 VanDerWaalsContact O-N 3.14Å; A198-T201 PolarHBondContact O-OG1 3.07Å; G199-T201 PolarHBondContact O-N 3.15Å; T201-L205 HydrophobicContact CG2-CD1 3.67Å; T201-L205 HydrophobicContact CG2-CG 4.26Å; T201-L205 VanDerWaalsContact O-CB 3.3Å; T201-L205 WeakPolarHBondContact O-CB 3.26Å; T201-L205 VanDerWaalsContact O-CG 3.23Å; T201-L205 WeakPolarHBondContact O-CG 3.35Å; T201-L205 PolarHBondContact O-N 3.36Å; T201-T244 HydrophobicContact CG2-CG2 4.44Å; T201-M248 HydrophobicContact CG2-CE 4.28Å
202A92.6Very high93.2Very high15 Ų1522.4 Ų22.412%0.12412%0.116CC..Hα-helixtrans-57.5-54.5178.400000111.6M200 L204 L205 E206 E247M200-A202 VanDerWaalsContact C-N 3.27Å; M200-A202 PolarHBondContact O-N 2.82Å; A202-L204 PolarHBondContact O-N 2.79Å; A202-L205 PolarHBondContact O-N 3.25Å; A202-E206 WeakPolarHBondContact O-CB 3.49Å; A202-E206 PolarHBondContact O-N 3.23Å; A202-E247 HydrophobicContact CB-CB 4.49Å; A202-E247 HydrophobicContact CB-CG 3.67Å
203T94.3Very high92.9Very high9 Ų931.4 Ų31.46%0.05515%0.15CC..Hα-helixtrans-65.6-38.8-176.1-60.80000112.3R162 F167 M200 F207R162-T203 HydrophobicContact CG-CG2 3.82Å; R162-T203 PolarHBondContact NH1-OG1 3.31Å; F167-T203 HydrophobicContact CD2-CG2 4.16Å; F167-T203 HydrophobicContact CE2-CG2 3.67Å; F167-T203 HydrophobicContact CZ-CG2 4.3Å; M200-T203 PolarHBondContact O-N 2.95Å; T203-F207 WeakPolarHBondContact O-CB 3.48Å; T203-F207 PolarHBondContact O-N 3.14Å
204L97.3Very high92.8Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-67.8-44.2176.2-70.1172.5000111.7V13 F63 I170 I174 F189 M200 A202 F207 F208V13-L204 HydrophobicContact CG2-CD1 3.66Å; F63-L204 HydrophobicContact CD2-CD1 3.96Å; F63-L204 HydrophobicContact CE2-CD1 3.79Å; F63-L204 HydrophobicContact CE2-CD2 4.22Å; F63-L204 HydrophobicContact CZ-CD1 4.35Å; F63-L204 HydrophobicContact CZ-CD2 4.08Å; I170-L204 HydrophobicContact CG2-CD2 3.7Å; I174-L204 HydrophobicContact CD1-CD2 4.09Å; F189-L204 HydrophobicContact CE2-CB 3.82Å; F189-L204 HydrophobicContact CE2-CD1 4.48Å; F189-L204 HydrophobicContact CZ-CB 3.81Å; F189-L204 HydrophobicContact CZ-CD1 4.07Å; M200-L204 HydrophobicContact CB-CD1 4.34Å; M200-L204 HydrophobicContact CE-CD1 4.44Å; M200-L204 WeakPolarHBondContact O-CG 3.25Å; M200-L204 PolarHBondContact O-N 2.83Å; A202-L204 PolarHBondContact O-N 2.79Å; L204-F207 WeakPolarHBondContact O-CB 3.29Å; L204-F207 PolarHBondContact O-N 3.09Å; L204-F208 WeakPolarHBondContact O-CD2 3.21Å; L204-F208 PolarHBondContact O-N 3.27Å
205L97.1Very high93Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-64-41.9178.3-75.6175000112F189 T201 A202 F208 S209 I217 E247 M248 Y251F189-L205 HydrophobicContact CB-CD2 4.4Å; F189-L205 HydrophobicContact CD1-CD2 4.25Å; F189-L205 HydrophobicContact CD2-CD2 3.68Å; F189-L205 HydrophobicContact CD2-CG 4.38Å; F189-L205 HydrophobicContact CE1-CG 4.43Å; F189-L205 HydrophobicContact CE2-CD2 3.94Å; F189-L205 HydrophobicContact CE2-CG 4.16Å; F189-L205 HydrophobicContact CG-CD2 3.84Å; F189-L205 HydrophobicContact CZ-CD2 4.35Å; F189-L205 HydrophobicContact CZ-CG 4.19Å; T201-L205 HydrophobicContact CG2-CD1 3.67Å; T201-L205 HydrophobicContact CG2-CG 4.26Å; T201-L205 VanDerWaalsContact O-CB 3.3Å; T201-L205 WeakPolarHBondContact O-CB 3.26Å; T201-L205 VanDerWaalsContact O-CG 3.23Å; T201-L205 WeakPolarHBondContact O-CG 3.35Å; T201-L205 PolarHBondContact O-N 3.36Å; A202-L205 PolarHBondContact O-N 3.25Å; L205-F208 PolarHBondContact O-N 3.33Å; L205-S209 WeakPolarHBondContact O-CB 3.48Å; L205-S209 PolarHBondContact O-N 3.19Å; L205-I217 HydrophobicContact CD2-CD1 4.34Å; L205-I217 HydrophobicContact CD2-CG2 4.15Å; L205-E247 HydrophobicContact CD1-CB 4.27Å; L205-M248 HydrophobicContact CD1-CG 3.9Å; L205-Y251 HydrophobicContact CB-CD2 3.61Å; L205-Y251 HydrophobicContact CB-CE2 4.45Å; L205-Y251 HydrophobicContact CB-CG 3.88Å; L205-Y251 HydrophobicContact CD1-CD2 4.43Å
206E95.1Very high93.2Very high82 Ų8239.3 Ų39.338%0.38319%0.192SC..Hα-helixtrans-56.9-51.1173.5-176.7173.9-154.300110.7A202 F208 S209 E210 Y251A202-E206 WeakPolarHBondContact O-CB 3.49Å; A202-E206 PolarHBondContact O-N 3.23Å; E206-F208 PolarHBondContact O-N 2.95Å; E206-S209 WeakPolarHBondContact O-CA 3.13Å; E206-S209 WeakPolarHBondContact O-CB 3.46Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-S209 PolarHBondContact O-OG 3.05Å; E206-E210 PolarHBondContact O-N 3.23Å; E206-Y251 HydrophobicContact CB-CE1 4.19Å; E206-Y251 HydrophobicContact CB-CE2 4.27Å; E206-Y251 HydrophobicContact CG-CE1 4.41Å
207F96.4Very high93.5Very high14 Ų1437.3 Ų37.36%0.06118%0.181CC..Hα-helixtrans-55.3-48.1175.5167.8-94.7000113.1F167 E171 I174 T203 L204 S209 E210 E211F167-F207 AromaticContact CE1-CD2 3.9Å; F167-F207 HydrophobicContact CE1-CD2 3.9Å; F167-F207 HydrophobicContact CE1-CG 4.42Å; F167-F207 HydrophobicContact CZ-CB 3.77Å; F167-F207 AromaticContact CZ-CD2 3.82Å; F167-F207 HydrophobicContact CZ-CD2 3.82Å; F167-F207 AromaticContact CZ-CG 3.87Å; F167-F207 HydrophobicContact CZ-CG 3.87Å; E171-F207 HydrophobicContact CG-CD2 4.22Å; E171-F207 HydrophobicContact CG-CE2 3.62Å; E171-F207 HydrophobicContact CG-CZ 4.02Å; I174-F207 HydrophobicContact CB-CE1 4.38Å; I174-F207 HydrophobicContact CD1-CD1 4.16Å; I174-F207 HydrophobicContact CD1-CE1 3.95Å; I174-F207 HydrophobicContact CG2-CE1 3.92Å; T203-F207 WeakPolarHBondContact O-CB 3.48Å; T203-F207 PolarHBondContact O-N 3.14Å; L204-F207 WeakPolarHBondContact O-CB 3.29Å; L204-F207 PolarHBondContact O-N 3.09Å; F207-S209 VanDerWaalsContact C-N 3.26Å; F207-S209 PolarHBondContact O-N 3.24Å; F207-E210 PolarHBondContact O-N 3.46Å; F207-E210 VanDerWaalsContact O-N 3.17Å; F207-E211 HydrophobicContact CE2-CB 4.1Å; F207-E211 HydrophobicContact CE2-CG 4.37Å; F207-E211 HydrophobicContact CZ-CB 4.09Å; F207-E211 HydrophobicContact CZ-CG 4.14Å; F207-E211 WeakPolarHBondContact O-CB 3.29Å; F207-E211 PolarHBondContact O-N 3.34Å
208F97.2Very high93.7Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-62.2-36.7176.6-77.8-66.1000111.9L9 V11 I174 I187 F189 L204 L205 E206 E210 H212 I217L9-F208 HydrophobicContact CD2-CE1 3.77Å; L9-F208 HydrophobicContact CD2-CZ 3.94Å; V11-F208 HydrophobicContact CG2-CE2 3.68Å; V11-F208 HydrophobicContact CG2-CZ 3.55Å; I174-F208 HydrophobicContact CD1-CE2 4.16Å; I174-F208 HydrophobicContact CD1-CZ 3.79Å; I174-F208 HydrophobicContact CG1-CZ 4.11Å; I174-F208 HydrophobicContact CG2-CE1 3.52Å; I174-F208 HydrophobicContact CG2-CZ 3.63Å; I187-F208 HydrophobicContact CD1-CB 4.23Å; I187-F208 HydrophobicContact CD1-CD1 3.38Å; I187-F208 HydrophobicContact CD1-CE1 3.91Å; I187-F208 HydrophobicContact CD1-CG 3.9Å; F189-F208 HydrophobicContact CD2-CD2 4.37Å; F189-F208 HydrophobicContact CD2-CE2 4.41Å; F189-F208 HydrophobicContact CE2-CD2 4.18Å; F189-F208 HydrophobicContact CE2-CE2 4.13Å; L204-F208 WeakPolarHBondContact O-CD2 3.21Å; L204-F208 PolarHBondContact O-N 3.27Å; L205-F208 PolarHBondContact O-N 3.33Å; E206-F208 PolarHBondContact O-N 2.95Å; F208-E210 VanDerWaalsContact C-N 3.29Å; F208-E210 PolarHBondContact O-N 3.32Å; F208-H212 AromaticContact CD1-CD2 3.64Å; F208-H212 CarbonylContact O-C 3.55Å; F208-H212 VanDerWaalsContact O-C 3.23Å; F208-H212 WeakPolarHBondContact O-CA 3.26Å; F208-H212 VanDerWaalsContact O-CB 3.28Å; F208-H212 WeakPolarHBondContact O-CB 3.4Å; F208-H212 PolarHBondContact O-N 3.2Å; F208-I217 HydrophobicContact CB-CD1 3.77Å
209S91.5Very high93.9Very high38 Ų3837.4 Ų37.427%0.26618%0.182SC..Hα-helixtrans-67.4-29.5177.482.20000112.9L205 E206 F207 R213 Y251L205-S209 WeakPolarHBondContact O-CB 3.48Å; L205-S209 PolarHBondContact O-N 3.19Å; E206-S209 WeakPolarHBondContact O-CA 3.13Å; E206-S209 WeakPolarHBondContact O-CB 3.46Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-S209 PolarHBondContact O-OG 3.05Å; F207-S209 VanDerWaalsContact C-N 3.26Å; F207-S209 PolarHBondContact O-N 3.24Å; S209-R213 WeakPolarHBondContact O-CA 2.98Å; S209-R213 WeakPolarHBondContact O-CG 3.27Å; S209-Y251 VanDerWaalsContact CB-CD1 3.48Å; S209-Y251 WeakPolarHBondContact OG-CD1 3.19Å; S209-Y251 WeakPolarHBondContact OG-CE1 3.16Å
210E94.1Very high94.2Very high110 Ų11037.6 Ų37.651%0.51418%0.182SC..Hα-helixtrans-86.7-48.4-179.9-67.8-170.5145.300112.8E206 F207 F208 R213E206-E210 PolarHBondContact O-N 3.23Å; F207-E210 PolarHBondContact O-N 3.46Å; F207-E210 VanDerWaalsContact O-N 3.17Å; F208-E210 VanDerWaalsContact C-N 3.29Å; F208-E210 PolarHBondContact O-N 3.32Å; E210-R213 PolarHBondContact O-NE 3.46Å; E210-R213 PolarHBondContact O-NH1 3.3Å; E210-R213 PolarHBondContact O-NH2 3.43Å
211E93.9Very high94.3Very high89 Ų8937.6 Ų37.642%0.41618%0.182SC..Hα-helixtrans-80-32.9-176.8-170.170.9172.200111.5R175 F207R175-E211 IonicContact CZ-OE1 3.61Å; R175-E211 VanDerWaalsContact CZ-OE1 3.29Å; R175-E211 IonicContact NH1-OE1 3.79Å; R175-E211 PolarHBondContact NH1-OE1 3.05Å; R175-E211 IonicContact NH2-OE1 3.16Å; R175-E211 PolarHBondContact NH2-OE1 3Å; R175-E211 VanDerWaalsContact NH2-OE1 3.14Å; R175-E211 IonicContact NH2-OE2 3.29Å; F207-E211 HydrophobicContact CE2-CB 4.1Å; F207-E211 HydrophobicContact CE2-CG 4.37Å; F207-E211 HydrophobicContact CZ-CB 4.09Å; F207-E211 HydrophobicContact CZ-CG 4.14Å; F207-E211 WeakPolarHBondContact O-CB 3.29Å; F207-E211 PolarHBondContact O-N 3.34Å
212H92.5Very high94.4Very high33 Ų3337.6 Ų37.615%0.15318%0.182CC..SBendtrans-122.241.6-174.1-59.1-69.1000112.7F208 N214 V215F208-H212 AromaticContact CD1-CD2 3.64Å; F208-H212 CarbonylContact O-C 3.55Å; F208-H212 VanDerWaalsContact O-C 3.23Å; F208-H212 WeakPolarHBondContact O-CA 3.26Å; F208-H212 VanDerWaalsContact O-CB 3.28Å; F208-H212 WeakPolarHBondContact O-CB 3.4Å; F208-H212 PolarHBondContact O-N 3.2Å; H212-N214 PolarHBondContact O-N 2.7Å; H212-V215 HydrophobicContact CB-CB 4.11Å; H212-V215 HydrophobicContact CB-CG2 3.9Å; H212-V215 WeakPolarHBondContact O-CB 3.42Å; H212-V215 PolarHBondContact O-N 2.87Å
213R87.6Confident94.4Very high193 Ų19336.9 Ų36.973%0.72818%0.177SC*.THydrogen-bonded Turntrans-40.4-38.5-174.8-73.3177.8-164.799.15.6117.1S209 E210S209-R213 WeakPolarHBondContact O-CA 2.98Å; S209-R213 WeakPolarHBondContact O-CG 3.27Å; E210-R213 PolarHBondContact O-NE 3.46Å; E210-R213 PolarHBondContact O-NH1 3.3Å; E210-R213 PolarHBondContact O-NH2 3.43Å
214N89.8Confident94.3Very high157 Ų15738.5 Ų38.584%0.8418%0.183SC*.THydrogen-bonded Turntrans-97.84.2-174.7-64.6-35.2000113.5H212H212-N214 PolarHBondContact O-N 2.7Å
215V94.1Very high93.9Very high24 Ų2438.6 Ų38.615%0.14518%0.184CC..SBendtrans-92.6118.1-178.3-178.40000108.8L184 I187 H212 I217L184-V215 HydrophobicContact CB-CG2 4.19Å; L184-V215 HydrophobicContact CD2-CG1 3.91Å; L184-V215 HydrophobicContact CD2-CG2 4.16Å; L184-V215 HydrophobicContact CG-CG1 3.87Å; L184-V215 HydrophobicContact CG-CG2 4.3Å; I187-V215 HydrophobicContact CD1-CB 4.38Å; I187-V215 HydrophobicContact CD1-CG1 3.82Å; I187-V215 HydrophobicContact CG1-CG1 3.84Å; H212-V215 HydrophobicContact CB-CB 4.11Å; H212-V215 HydrophobicContact CB-CG2 3.9Å; H212-V215 WeakPolarHBondContact O-CB 3.42Å; H212-V215 PolarHBondContact O-N 2.87Å; V215-I217 PolarHBondContact O-N 3.4Å
216P93.7Very high93.1Very high12 Ų1243 Ų438%0.07820%0.204CC..  trans-65.2136.4179.127.3-36000110.9G185 G186 I187 L253 M311G185-P216 WeakPolarHBondContact O-CG 3.19Å; G186-P216 WeakPolarHBondContact CA-O 3.42Å; I187-P216 PolarHBondContact N-O 3.09Å; P216-L253 HydrophobicContact CB-CD2 3.77Å; P216-M311 HydrophobicContact CB-CE 4.02Å; P216-M311 HydrophobicContact CG-CE 3.92Å; P216-M311 WeakPolarHBondContact O-CE 3.4Å
217I95.9Very high92Very high7 Ų740.7 Ų40.74%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-111.6125.3176.3-50.3178.1000109.4I187 F189 L205 F208 V215 C252 L253I187-I217 HydrophobicContact CB-CG1 4.2Å; I187-I217 HydrophobicContact CB-CG2 4.36Å; I187-I217 HydrophobicContact CD1-CD1 4.46Å; I187-I217 HydrophobicContact CD1-CG1 4.12Å; I187-I217 HydrophobicContact CG2-CG2 4.26Å; I187-I217 WeakPolarHBondContact O-CA 3.48Å; F189-I217 HydrophobicContact CB-CG2 3.87Å; L205-I217 HydrophobicContact CD2-CD1 4.34Å; L205-I217 HydrophobicContact CD2-CG2 4.15Å; F208-I217 HydrophobicContact CB-CD1 3.77Å; V215-I217 PolarHBondContact O-N 3.4Å; I217-C252 HydrophobicContact CB-CB 4.5Å; I217-C252 HydrophobicContact CG2-CB 4.45Å; I217-L253 PolarHBondContact O-N 3.42Å
218L94.9Very high90.6Very high3 Ų341.9 Ų41.92%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-96.6108.8167176.960.3000108.9I187 F189 L220 L254 W302 M311 L315I187-L218 PolarHBondContact O-N 2.83Å; F189-L218 PolarHBondContact N-O 3.1Å; L218-L220 HydrophobicContact CD1-CD2 4.41Å; L218-L220 HydrophobicContact CD2-CD1 4.18Å; L218-L220 HydrophobicContact CD2-CD2 4.23Å; L218-L220 HydrophobicContact CD2-CG 4.36Å; L218-L220 HydrophobicContact CG-CD1 4.23Å; L218-L220 HydrophobicContact CG-CD2 4.07Å; L218-L220 HydrophobicContact CG-CG 3.99Å; L218-L254 WeakPolarHBondContact CA-O 3.34Å; L218-L254 HydrophobicContact CD1-CB 4.12Å; L218-L254 HydrophobicContact CD1-CD2 4.34Å; L218-L254 HydrophobicContact CD1-CG 4.4Å; L218-W302 HydrophobicContact CD2-CH2 4.11Å; L218-W302 HydrophobicContact CD2-CZ2 4.06Å; L218-M311 HydrophobicContact CB-CE 4.38Å; L218-L315 HydrophobicContact CB-CD1 4.04Å; L218-L315 HydrophobicContact CD1-CD2 3.95Å; L218-L315 HydrophobicContact CD2-CD2 4.43Å
219G95.8Very high88.9Confident0 Ų049 Ų490%023%0.234CC..EExtended strand (participates in β ladder)trans-80.8126.6176.300000111.5L254 T255 T256G219-L254 PolarHBondContact N-O 3.27Å; G219-T255 CarbonylContact O-C 3.45Å; G219-T255 WeakPolarHBondContact O-CA 2.85Å; G219-T256 PolarHBondContact O-N 2.8Å
220L96.5Very high87.4Confident3 Ų358.7 Ų58.72%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-130.171.5-175.3-64.6165.4000109.8F189 L190 C191 L218 C222 L258 L295F189-L220 PolarHBondContact O-N 3.39Å; L190-L220 WeakPolarHBondContact CA-O 3.43Å; L190-L220 HydrophobicContact CD1-CB 4.39Å; L190-L220 HydrophobicContact CD1-CD1 3.73Å; L190-L220 HydrophobicContact CG-CB 3.96Å; L190-L220 HydrophobicContact CG-CD1 4.08Å; C191-L220 PolarHBondContact N-O 3.42Å; L218-L220 HydrophobicContact CD1-CD2 4.41Å; L218-L220 HydrophobicContact CD2-CD1 4.18Å; L218-L220 HydrophobicContact CD2-CD2 4.23Å; L218-L220 HydrophobicContact CD2-CG 4.36Å; L218-L220 HydrophobicContact CG-CD1 4.23Å; L218-L220 HydrophobicContact CG-CD2 4.07Å; L218-L220 HydrophobicContact CG-CG 3.99Å; L220-C222 PolarHBondContact O-N 3.37Å; L220-C222 PolarHBondContact O-SG 3.43Å; L220-L258 HydrophobicContact CB-CD1 4.41Å; L220-L258 HydrophobicContact CD2-CD1 4.11Å; L220-L258 HydrophobicContact CD2-CG 4.4Å; L220-L295 HydrophobicContact CD1-CD1 3.44Å; L220-L295 VanDerWaalsContact CD1-CD1 3.44Å; L220-L295 HydrophobicContact CD1-CD2 4.32Å; L220-L295 HydrophobicContact CD2-CD1 4.46Å
221P96Very high86.2Confident0 Ų058 Ų580%027%0.268CS..EExtended strand (participates in β ladder)trans-70.1128.1176.427.3-25.8000108.9C191 P193 W223 T244 L245 M248 T255 P257 L258C191-P221 WeakPolarHBondContact O-CA 3.49Å; P193-P221 HydrophobicContact CG-CB 3.8Å; P221-W223 HydrophobicContact CB-CE3 4.44Å; P221-W223 HydrophobicContact CB-CH2 3.5Å; P221-W223 HydrophobicContact CB-CZ2 4.32Å; P221-W223 HydrophobicContact CB-CZ3 3.55Å; P221-W223 HydrophobicContact CG-CH2 3.61Å; P221-W223 HydrophobicContact CG-CZ3 3.63Å; P221-W223 WeakPolarHBondContact O-CZ3 3.36Å; P221-T244 HydrophobicContact CB-CG2 4.16Å; P221-L245 HydrophobicContact CG-CD2 4.16Å; P221-M248 HydrophobicContact CB-CE 3.96Å; P221-M248 HydrophobicContact CB-SD 3.84Å; P221-M248 WeakPolarHBondContact CD-SD 3.25Å; P221-M248 HydrophobicContact CG-CE 4.21Å; P221-M248 HydrophobicContact CG-SD 3.49Å; P221-M248 WeakPolarHBondContact CG-SD 3.12Å; P221-T255 HydrophobicContact CG-CG2 4.04Å; P221-P257 HydrophobicContact CG-CB 4.34Å; P221-P257 HydrophobicContact CG-CG 4.18Å; P221-L258 PolarHBondContact O-N 2.8Å
222C96.3Very high85.3Confident0 Ų054.7 Ų54.70%025%0.254CS..BIsolated β-bridgetrans-115.8112.5-170.1-65.60000109.9Y16 V20 C191 P193 L220 L258Y16-C222 HydrophobicContact CD1-CB 3.92Å; Y16-C222 HydrophobicContact CE1-CB 4.36Å; V20-C222 HydrophobicContact CG2-CB 4.45Å; C191-C222 PolarHBondContact O-N 3.19Å; P193-C222 WeakPolarHBondContact CD-O 3.25Å; L220-C222 PolarHBondContact O-N 3.37Å; L220-C222 PolarHBondContact O-SG 3.43Å; C222-L258 CarbonylContact C-O 3.57Å; C222-L258 WeakPolarHBondContact CA-O 3.44Å
223W93.5Very high84.8Confident0 Ų055.2 Ų55.20%026%0.264CS..  trans-101139.7175.5-70.5-94.9000111.4Y16 P193 P221 F227 T241 L245 P257 L258 S259 L264 P364Y16-W223 WeakPolarHBondContact CE1-O 3.49Å; P193-W223 HydrophobicContact CB-CZ2 4.04Å; P193-W223 HydrophobicContact CG-CD2 4.06Å; P193-W223 HydrophobicContact CG-CH2 4.14Å; P193-W223 HydrophobicContact CG-CZ2 3.64Å; P221-W223 HydrophobicContact CB-CE3 4.44Å; P221-W223 HydrophobicContact CB-CH2 3.5Å; P221-W223 HydrophobicContact CB-CZ2 4.32Å; P221-W223 HydrophobicContact CB-CZ3 3.55Å; P221-W223 HydrophobicContact CG-CH2 3.61Å; P221-W223 HydrophobicContact CG-CZ3 3.63Å; P221-W223 WeakPolarHBondContact O-CZ3 3.36Å; W223-F227 HydrophobicContact CB-CE2 4.22Å; W223-F227 HydrophobicContact CB-CZ 3.91Å; W223-F227 AromaticContact CD1-CZ 3.95Å; W223-F227 HydrophobicContact CG-CZ 4.34Å; W223-T241 HydrophobicContact CZ2-CG2 3.78Å; W223-T241 PolarHBondContact NE1-OG1 2.7Å; W223-T241 VanDerWaalsContact NE1-OG1 3.15Å; W223-L245 HydrophobicContact CH2-CD2 4.04Å; W223-L245 HydrophobicContact CH2-CG 4.33Å; W223-P257 HydrophobicContact CE3-CB 4.42Å; W223-P257 HydrophobicContact CH2-CB 4.15Å; W223-P257 HydrophobicContact CZ3-CB 3.52Å; W223-P257 HydrophobicContact CZ3-CG 4.32Å; W223-L258 PolarHBondContact N-O 3.4Å; W223-S259 PolarHBondContact O-OG 2.87Å; W223-S259 VanDerWaalsContact O-OG 3.11Å; W223-L264 HydrophobicContact CB-CD2 3.7Å; W223-L264 HydrophobicContact CD2-CD1 3.7Å; W223-L264 HydrophobicContact CD2-CD2 4.14Å; W223-L264 VanDerWaalsContact CE2-CD1 3.49Å; W223-L264 HydrophobicContact CE3-CD1 4.44Å; W223-L264 HydrophobicContact CG-CD1 3.83Å; W223-L264 HydrophobicContact CG-CD2 3.68Å; W223-L264 HydrophobicContact CG-CG 4.45Å; W223-L264 HydrophobicContact CZ2-CD1 4.07Å; W223-P364 HydrophobicContact CE3-CG 4.48Å
224H91.4Very high84.4Confident43 Ų4348.5 Ų48.520%0.19925%0.245CC..  trans-52.3152.4165.4-68.8-93.5000111.8Y16 D192 F226 F227 S259Y16-H224 WeakPolarHBondContact CB-NE2 3.48Å; Y16-H224 AromaticContact CD2-CE1 3.36Å; Y16-H224 WeakPolarHBondContact CD2-CE1 3.47Å; Y16-H224 AromaticContact CD2-CG 3.9Å; Y16-H224 AromaticContact CD2-ND1 3.35Å; Y16-H224 VanDerWaalsContact CD2-ND1 3.35Å; Y16-H224 WeakPolarHBondContact CD2-ND1 3.29Å; Y16-H224 AromaticContact CD2-NE2 3.92Å; Y16-H224 AromaticContact CE2-ND1 3.75Å; Y16-H224 AromaticContact CG-CD2 3.88Å; Y16-H224 AromaticContact CG-CE1 3.72Å; Y16-H224 AromaticContact CG-CG 3.93Å; Y16-H224 AromaticContact CG-ND1 3.82Å; Y16-H224 AromaticContact CG-NE2 3.78Å; D192-H224 IonicContact OD2-NE2 2.78Å; H224-F226 VanDerWaalsContact C-N 3.32Å; H224-F227 HydrophobicContact CB-CE1 3.87Å; H224-F227 HydrophobicContact CB-CZ 3.86Å; H224-F227 WeakPolarHBondContact O-CE2 3.37Å; H224-F227 WeakPolarHBondContact O-CZ 3.26Å; H224-S259 PolarHBondContact O-OG 3.21Å
225T88Confident84Confident3 Ų344.6 Ų44.62%0.01823%0.231CC..SBendtrans-70.8-29.4-179.5-52.70000113L260 S261 K281 T287T225-L260 HydrophobicContact CG2-CB 3.84Å; T225-S261 WeakPolarHBondContact O-CB 3.34Å; T225-K281 HydrophobicContact CG2-CB 4.29Å; T225-T287 VanDerWaalsContact OG1-CB 3.31Å; T225-T287 WeakPolarHBondContact OG1-CB 3.39Å; T225-T287 WeakPolarHBondContact OG1-CG2 3.41Å
226F80.1Confident83.4Confident93 Ų9347.5 Ų47.541%0.40824%0.239SC..  trans-136128.7-172.3-172.5-112.2000110.4H224 T228 S269H224-F226 VanDerWaalsContact C-N 3.32Å; F226-T228 HydrophobicContact CD1-CG2 3.95Å; F226-T228 HydrophobicContact CE1-CG2 3.15Å; F226-T228 HydrophobicContact CZ-CG2 3.68Å; F226-S269 WeakPolarHBondContact CD2-OG 3.13Å; F226-S269 WeakPolarHBondContact CE2-OG 3.42Å
227F73.5Confident82.9Confident33 Ų3347.2 Ų47.215%0.14524%0.237CC..  trans-120.4135.5172.3-58.2-76.7000108.3V194 W223 H224 V232 L237 L264V194-F227 HydrophobicContact CB-CE1 4.46Å; V194-F227 HydrophobicContact CG1-CE1 3.92Å; V194-F227 HydrophobicContact CG1-CZ 4.32Å; V194-F227 HydrophobicContact CG2-CE1 3.95Å; W223-F227 HydrophobicContact CB-CE2 4.22Å; W223-F227 HydrophobicContact CB-CZ 3.91Å; W223-F227 AromaticContact CD1-CZ 3.95Å; W223-F227 HydrophobicContact CG-CZ 4.34Å; H224-F227 HydrophobicContact CB-CE1 3.87Å; H224-F227 HydrophobicContact CB-CZ 3.86Å; H224-F227 WeakPolarHBondContact O-CE2 3.37Å; H224-F227 WeakPolarHBondContact O-CZ 3.26Å; F227-V232 HydrophobicContact CD1-CG2 4.1Å; F227-L237 HydrophobicContact CD2-CD2 4.05Å; F227-L237 HydrophobicContact CE1-CD1 4.46Å; F227-L237 HydrophobicContact CE2-CD2 4.46Å; F227-L237 HydrophobicContact CG-CD2 4.17Å; F227-L237 HydrophobicContact CZ-CD1 4.34Å; F227-L264 HydrophobicContact CE2-CD2 4.27Å
228T65.9Low82.3Confident38 Ų3847.4 Ų47.423%0.23324%0.239CC..  trans-109.4154.8164.765.50000109.3F226 R230 T231 V232F226-T228 HydrophobicContact CD1-CG2 3.95Å; F226-T228 HydrophobicContact CE1-CG2 3.15Å; F226-T228 HydrophobicContact CZ-CG2 3.68Å; T228-R230 PolarHBondContact O-N 2.98Å; T228-R230 VanDerWaalsContact O-N 3.12Å; T228-T231 PolarHBondContact N-OG1 2.96Å; T228-T231 PolarHBondContact O-N 3.46Å; T228-T231 PolarHBondContact O-OG1 3.22Å; T228-T231 WeakPolarHBondContact OG1-CG2 3.23Å; T228-T231 PolarHBondContact OG1-N 3.4Å; T228-T231 PolarHBondContact OG1-OG1 3.03Å; T228-T231 VanDerWaalsContact OG1-OG1 3.04Å; T228-V232 PolarHBondContact O-N 2.59Å
229E61.7Low81.8Confident150 Ų15053.2 Ų53.270%0.70126%0.261SS*.THydrogen-bonded Turntrans-55.8-30.1171.5-66.8-179.1173.900112.2T231 P234E229-T231 VanDerWaalsContact C-N 3.29Å; E229-T231 PolarHBondContact O-N 3.46Å; E229-P234 HydrophobicContact CG-CG 4.33Å
230R59.6Low81.4Confident241 Ų24153.4 Ų53.491%0.90926%0.262SS*.THydrogen-bonded Turntrans-67.8-26.4174.5-68.1-171-73-135.4-1.9113.6T228T228-R230 PolarHBondContact O-N 2.98Å; T228-R230 VanDerWaalsContact O-N 3.12Å
231T70.6Confident80.9Confident95 Ų9553.6 Ų53.658%0.58326%0.264SS*.THydrogen-bonded Turntrans-93.1-43.7-179.847.60000112T228 E229T228-T231 PolarHBondContact N-OG1 2.96Å; T228-T231 PolarHBondContact O-N 3.46Å; T228-T231 PolarHBondContact O-OG1 3.22Å; T228-T231 WeakPolarHBondContact OG1-CG2 3.23Å; T228-T231 PolarHBondContact OG1-N 3.4Å; T228-T231 PolarHBondContact OG1-OG1 3.03Å; T228-T231 VanDerWaalsContact OG1-OG1 3.04Å; E229-T231 VanDerWaalsContact C-N 3.29Å; E229-T231 PolarHBondContact O-N 3.46Å
232V74.9Confident80.5Confident20 Ų2055.2 Ų55.212%0.12128%0.277CS..SBendtrans-147123.1-179.9-172.30000108.5V194 F227 T228 R236 L237V194-V232 HydrophobicContact CB-CG2 4.38Å; F227-V232 HydrophobicContact CD1-CG2 4.1Å; T228-V232 PolarHBondContact O-N 2.59Å; V232-R236 HydrophobicContact CG1-CB 4.29Å; V232-R236 HydrophobicContact CG1-CG 4.27Å; V232-L237 HydrophobicContact CG1-CB 3.87Å
233A81Confident80.1Confident45 Ų4556 Ų5637%0.37228%0.283SS..  trans-60.8136173.200000110.1S235 R236 L237A233-S235 PolarHBondContact O-N 3.36Å; A233-S235 VanDerWaalsContact O-N 3.17Å; A233-R236 HydrophobicContact CB-CB 4.32Å; A233-R236 WeakPolarHBondContact O-CB 3.43Å; A233-R236 PolarHBondContact O-N 3.16Å; A233-L237 PolarHBondContact O-N 3.48Å
234P79.1Confident80Confident51 Ų5156 Ų5633%0.33128%0.283SS..Hα-helixtrans-54.6-37.2-178.3-28.335000114E229 L237 A238 F495E229-P234 HydrophobicContact CG-CG 4.33Å; P234-L237 PolarHBondContact O-N 3.19Å; P234-A238 WeakPolarHBondContact O-CB 3.25Å; P234-A238 PolarHBondContact O-N 2.81Å; P234-F495 HydrophobicContact CB-CD1 4.46Å; P234-F495 HydrophobicContact CB-CE1 3.88Å
235S81.2Confident79.9Confident76 Ų7656 Ų5653%0.53128%0.284SS..Hα-helixtrans-64.3-42.6175.655.10000112.8A233 A238 W239A233-S235 PolarHBondContact O-N 3.36Å; A233-S235 VanDerWaalsContact O-N 3.17Å; S235-A238 PolarHBondContact O-N 3.42Å; S235-W239 WeakPolarHBondContact O-CB 3.47Å; S235-W239 PolarHBondContact O-N 3.22Å
236R81.6Confident79.9Confident84 Ų8458.8 Ų58.832%0.31730%0.303SS..Hα-helixtrans-62.2-46.6173.9178.1174.4171.3155.8-4.5110.4D152 N196 V232 A233 A238 W239 T240D152-R236 PolarHBondContact O-NH1 3.35Å; N196-R236 PolarHBondContact OD1-NH2 3.33Å; V232-R236 HydrophobicContact CG1-CB 4.29Å; V232-R236 HydrophobicContact CG1-CG 4.27Å; A233-R236 HydrophobicContact CB-CB 4.32Å; A233-R236 WeakPolarHBondContact O-CB 3.43Å; A233-R236 PolarHBondContact O-N 3.16Å; R236-A238 PolarHBondContact O-N 3.36Å; R236-W239 PolarHBondContact O-N 3.13Å; R236-T240 HydrophobicContact CG-CG2 4.25Å; R236-T240 WeakPolarHBondContact O-CG2 3.23Å; R236-T240 PolarHBondContact O-N 2.8Å; R236-T240 PolarHBondContact O-OG1 2.78Å
237L84.2Confident80.4Confident7 Ų756.6 Ų56.64%0.03730%0.295CS..Hα-helixtrans-60.1-45.1178.8178.460.8000111.8V194 F227 V232 A233 P234 T241 L264V194-L237 HydrophobicContact CG1-CD1 3.42Å; V194-L237 VanDerWaalsContact CG1-CD1 3.42Å; F227-L237 HydrophobicContact CD2-CD2 4.05Å; F227-L237 HydrophobicContact CE1-CD1 4.46Å; F227-L237 HydrophobicContact CE2-CD2 4.46Å; F227-L237 HydrophobicContact CG-CD2 4.17Å; F227-L237 HydrophobicContact CZ-CD1 4.34Å; V232-L237 HydrophobicContact CG1-CB 3.87Å; A233-L237 PolarHBondContact O-N 3.48Å; P234-L237 PolarHBondContact O-N 3.19Å; L237-T241 WeakPolarHBondContact O-CB 3.41Å; L237-T241 PolarHBondContact O-N 2.63Å; L237-T241 PolarHBondContact O-OG1 3.36Å; L237-L264 VanDerWaalsContact CD2-O 3.24Å; L237-L264 WeakPolarHBondContact CD2-O 3.34Å
238A82.6Confident81.3Confident11 Ų1155 Ų559%0.09129%0.288CS..Hα-helixtrans-63.2-47.7178.100000111.6P234 S235 R236 A242 F495P234-A238 WeakPolarHBondContact O-CB 3.25Å; P234-A238 PolarHBondContact O-N 2.81Å; S235-A238 PolarHBondContact O-N 3.42Å; R236-A238 PolarHBondContact O-N 3.36Å; A238-A242 WeakPolarHBondContact O-CB 3.28Å; A238-A242 PolarHBondContact O-N 3.21Å; A238-F495 HydrophobicContact CB-CZ 4.48Å
239W84.2Confident82.3Confident124 Ų12456.8 Ų56.847%0.4729%0.292SS..Hα-helixtrans-58.8-56.8178177.9-116.2000111.9E155 S235 R236 T241 A242 S243E155-W239 PolarHBondContact OE1-NE1 2.82Å; S235-W239 WeakPolarHBondContact O-CB 3.47Å; S235-W239 PolarHBondContact O-N 3.22Å; R236-W239 PolarHBondContact O-N 3.13Å; W239-T241 VanDerWaalsContact C-N 3.29Å; W239-T241 PolarHBondContact O-N 2.86Å; W239-A242 PolarHBondContact O-N 3.37Å; W239-A242 VanDerWaalsContact O-N 3.16Å; W239-S243 PolarHBondContact O-N 3.36Å; W239-S243 PolarHBondContact O-OG 3.15Å; W239-S243 VanDerWaalsContact O-OG 3.11Å
240T87.7Confident83.6Confident4 Ų453.4 Ų53.43%0.02528%0.282CS..Hα-helixtrans-67.6-31.3-175.665.70000112.6Y154 P193 R236 T244Y154-T240 HydrophobicContact CD2-CG2 3.96Å; Y154-T240 HydrophobicContact CG-CG2 4.34Å; P193-T240 WeakPolarHBondContact O-CB 3.26Å; P193-T240 PolarHBondContact O-OG1 2.85Å; R236-T240 HydrophobicContact CG-CG2 4.25Å; R236-T240 WeakPolarHBondContact O-CG2 3.23Å; R236-T240 PolarHBondContact O-N 2.8Å; R236-T240 PolarHBondContact O-OG1 2.78Å; T240-T244 VanDerWaalsContact O-CB 3.23Å; T240-T244 WeakPolarHBondContact O-CB 3.4Å; T240-T244 PolarHBondContact O-N 2.79Å; T240-T244 PolarHBondContact O-OG1 3.3Å
241T86.8Confident85.2Confident7 Ų744.6 Ų44.64%0.04325%0.249CC..Hα-helixtrans-63.1-49.8171.7-65.80000111.1W223 L237 W239 T244 L245 L264 F365W223-T241 HydrophobicContact CZ2-CG2 3.78Å; W223-T241 PolarHBondContact NE1-OG1 2.7Å; W223-T241 VanDerWaalsContact NE1-OG1 3.15Å; L237-T241 WeakPolarHBondContact O-CB 3.41Å; L237-T241 PolarHBondContact O-N 2.63Å; L237-T241 PolarHBondContact O-OG1 3.36Å; W239-T241 VanDerWaalsContact C-N 3.29Å; W239-T241 PolarHBondContact O-N 2.86Å; T241-T244 PolarHBondContact O-N 2.84Å; T241-L245 HydrophobicContact CG2-CD1 3.91Å; T241-L245 WeakPolarHBondContact O-CB 3.44Å; T241-L245 VanDerWaalsContact O-CG 3.3Å; T241-L245 WeakPolarHBondContact O-CG 3.38Å; T241-L245 PolarHBondContact O-N 3.34Å; T241-L264 HydrophobicContact CG2-CD1 4.08Å; T241-F365 HydrophobicContact CG2-CZ 4.12Å
242A86.1Confident86.3Confident35 Ų3540.1 Ų40.129%0.28922%0.221SC..Hα-helixtrans-62.7-46.3179.500000111.5A238 W239 L245 S246 V488A238-A242 WeakPolarHBondContact O-CB 3.28Å; A238-A242 PolarHBondContact O-N 3.21Å; W239-A242 PolarHBondContact O-N 3.37Å; W239-A242 VanDerWaalsContact O-N 3.16Å; A242-L245 PolarHBondContact O-N 3.47Å; A242-S246 VanDerWaalsContact O-CB 3.28Å; A242-S246 WeakPolarHBondContact O-CB 3.36Å; A242-S246 PolarHBondContact O-N 3.17Å; A242-V488 HydrophobicContact CB-CG2 4.42Å
243S89Confident87.1Confident17 Ų1740.3 Ų40.312%0.11922%0.222CC..Hα-helixtrans-59.9-51.7176.9-58.50000111.1W239 L245 S246 E247W239-S243 PolarHBondContact O-N 3.36Å; W239-S243 PolarHBondContact O-OG 3.15Å; W239-S243 VanDerWaalsContact O-OG 3.11Å; S243-L245 PolarHBondContact O-N 3.3Å; S243-S246 WeakPolarHBondContact O-CB 3.49Å; S243-S246 PolarHBondContact O-N 3.26Å; S243-S246 VanDerWaalsContact O-N 3.12Å; S243-E247 WeakPolarHBondContact O-CG 3.5Å; S243-E247 PolarHBondContact O-N 2.89Å
244T90.8Very high87.5Confident0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-58.9-45.5-179.5-57.70000112.2C191 P193 T201 P221 T240 T241 S246 E247 M248C191-T244 VanDerWaalsContact SG-CG2 3.59Å; P193-T244 HydrophobicContact CB-CG2 4.24Å; P193-T244 HydrophobicContact CG-CG2 4.13Å; T201-T244 HydrophobicContact CG2-CG2 4.44Å; P221-T244 HydrophobicContact CB-CG2 4.16Å; T240-T244 VanDerWaalsContact O-CB 3.23Å; T240-T244 WeakPolarHBondContact O-CB 3.4Å; T240-T244 PolarHBondContact O-N 2.79Å; T240-T244 PolarHBondContact O-OG1 3.3Å; T241-T244 PolarHBondContact O-N 2.84Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 2.89Å; T244-E247 PolarHBondContact O-N 2.9Å; T244-M248 HydrophobicContact CG2-CE 4.22Å; T244-M248 HydrophobicContact CG2-SD 4.28Å; T244-M248 WeakPolarHBondContact O-CB 3.44Å; T244-M248 WeakPolarHBondContact O-CG 3.49Å; T244-M248 PolarHBondContact O-N 3.34Å
245L89.2Confident88.1Confident41 Ų4136 Ų3622%0.21519%0.19CC..Hα-helixtrans-67.3-34.6178.4-70.7174.7000112.3P221 W223 T241 A242 S243 K249 T255 P257 F365P221-L245 HydrophobicContact CG-CD2 4.16Å; W223-L245 HydrophobicContact CH2-CD2 4.04Å; W223-L245 HydrophobicContact CH2-CG 4.33Å; T241-L245 HydrophobicContact CG2-CD1 3.91Å; T241-L245 WeakPolarHBondContact O-CB 3.44Å; T241-L245 VanDerWaalsContact O-CG 3.3Å; T241-L245 WeakPolarHBondContact O-CG 3.38Å; T241-L245 PolarHBondContact O-N 3.34Å; A242-L245 PolarHBondContact O-N 3.47Å; S243-L245 PolarHBondContact O-N 3.3Å; L245-K249 VanDerWaalsContact O-CB 3.26Å; L245-K249 WeakPolarHBondContact O-CB 3.41Å; L245-K249 PolarHBondContact O-N 3Å; L245-T255 HydrophobicContact CD2-CG2 4.21Å; L245-P257 HydrophobicContact CD2-CG 3.95Å; L245-F365 HydrophobicContact CD1-CE2 4.02Å
246S89.1Confident88.5Confident62 Ų6232.6 Ų32.643%0.43417%0.166SC..Hα-helixtrans-63.1-47.4174.5-1760000111.3A242 S243 T244 K249 T250A242-S246 VanDerWaalsContact O-CB 3.28Å; A242-S246 WeakPolarHBondContact O-CB 3.36Å; A242-S246 PolarHBondContact O-N 3.17Å; S243-S246 WeakPolarHBondContact O-CB 3.49Å; S243-S246 PolarHBondContact O-N 3.26Å; S243-S246 VanDerWaalsContact O-N 3.12Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 2.89Å; S246-K249 WeakPolarHBondContact O-CB 3.1Å; S246-K249 PolarHBondContact O-N 3.11Å; S246-T250 PolarHBondContact O-N 2.81Å; S246-T250 VanDerWaalsContact O-N 3.09Å; S246-T250 PolarHBondContact O-OG1 3.37Å; S246-T250 VanDerWaalsContact O-OG1 3.1Å
247E90.2Very high89Confident48 Ų4828.6 Ų28.622%0.22415%0.151CC..Hα-helixtrans-64.3-45.3178.2-60.3-49.5140.400111.9A202 L205 S243 T244 K249 T250 Y251A202-E247 HydrophobicContact CB-CB 4.49Å; A202-E247 HydrophobicContact CB-CG 3.67Å; L205-E247 HydrophobicContact CD1-CB 4.27Å; S243-E247 WeakPolarHBondContact O-CG 3.5Å; S243-E247 PolarHBondContact O-N 2.89Å; T244-E247 PolarHBondContact O-N 2.9Å; E247-K249 VanDerWaalsContact C-N 3.28Å; E247-K249 PolarHBondContact O-N 3.47Å; E247-T250 WeakPolarHBondContact O-CB 3.45Å; E247-T250 PolarHBondContact O-N 3.5Å; E247-Y251 VanDerWaalsContact O-CD2 3.25Å; E247-Y251 WeakPolarHBondContact O-CD2 3.49Å; E247-Y251 PolarHBondContact O-N 3.12Å; E247-Y251 WeakPolarHBondContact OE2-CE2 3.4Å
248M91.1Very high89.4Confident0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-64-34.3176.8-71.7-172.316800112.3F189 C191 T201 L205 P221 T244 T250 C252 T255F189-M248 HydrophobicContact CD1-CE 4.14Å; C191-M248 HydrophobicContact CB-CE 4.33Å; C191-M248 WeakPolarHBondContact SG-CE 3.35Å; T201-M248 HydrophobicContact CG2-CE 4.28Å; L205-M248 HydrophobicContact CD1-CG 3.9Å; P221-M248 HydrophobicContact CB-CE 3.96Å; P221-M248 HydrophobicContact CB-SD 3.84Å; P221-M248 WeakPolarHBondContact CD-SD 3.25Å; P221-M248 HydrophobicContact CG-CE 4.21Å; P221-M248 HydrophobicContact CG-SD 3.49Å; P221-M248 WeakPolarHBondContact CG-SD 3.12Å; T244-M248 HydrophobicContact CG2-CE 4.22Å; T244-M248 HydrophobicContact CG2-SD 4.28Å; T244-M248 WeakPolarHBondContact O-CB 3.44Å; T244-M248 WeakPolarHBondContact O-CG 3.49Å; T244-M248 PolarHBondContact O-N 3.34Å; M248-T250 VanDerWaalsContact C-N 3.27Å; M248-T250 PolarHBondContact O-N 3.33Å; M248-C252 WeakPolarHBondContact O-CA 3.45Å; M248-C252 WeakPolarHBondContact O-CB 3.13Å; M248-C252 PolarHBondContact O-N 3.48Å; M248-T255 HydrophobicContact CB-CG2 3.94Å; M248-T255 WeakPolarHBondContact CB-OG1 3.16Å; M248-T255 HydrophobicContact SD-CG2 3.78Å
249K87.4Confident89.9Confident74 Ų7427.7 Ų27.732%0.32214%0.144SC..Hα-helixtrans-63.2-34.5171.6176.6175.7179.1-179.60111.9L245 S246 E247 G324 V480L245-K249 VanDerWaalsContact O-CB 3.26Å; L245-K249 WeakPolarHBondContact O-CB 3.41Å; L245-K249 PolarHBondContact O-N 3Å; S246-K249 WeakPolarHBondContact O-CB 3.1Å; S246-K249 PolarHBondContact O-N 3.11Å; E247-K249 VanDerWaalsContact C-N 3.28Å; E247-K249 PolarHBondContact O-N 3.47Å; K249-G324 WeakPolarHBondContact O-CA 3.26Å; K249-V480 PolarHBondContact NZ-O 3.48Å
250T89.9Confident90.3Very high79 Ų7921.8 Ų21.849%0.48512%0.122SC..Hα-helixtrans-72.1-44.1179.9-58.50000111.9S246 E247 M248S246-T250 PolarHBondContact O-N 2.81Å; S246-T250 VanDerWaalsContact O-N 3.09Å; S246-T250 PolarHBondContact O-OG1 3.37Å; S246-T250 VanDerWaalsContact O-OG1 3.1Å; E247-T250 WeakPolarHBondContact O-CB 3.45Å; E247-T250 PolarHBondContact O-N 3.5Å; M248-T250 VanDerWaalsContact C-N 3.27Å; M248-T250 PolarHBondContact O-N 3.33Å
251Y93.3Very high90.3Very high57 Ų5721.7 Ų21.722%0.22412%0.122CC..Hα-helixtrans-110.6-24.8-166.1-59.7-66.9000115.2L205 E206 S209 E247L205-Y251 HydrophobicContact CB-CD2 3.61Å; L205-Y251 HydrophobicContact CB-CE2 4.45Å; L205-Y251 HydrophobicContact CB-CG 3.88Å; L205-Y251 HydrophobicContact CD1-CD2 4.43Å; E206-Y251 HydrophobicContact CB-CE1 4.19Å; E206-Y251 HydrophobicContact CB-CE2 4.27Å; E206-Y251 HydrophobicContact CG-CE1 4.41Å; S209-Y251 VanDerWaalsContact CB-CD1 3.48Å; S209-Y251 WeakPolarHBondContact OG-CD1 3.19Å; S209-Y251 WeakPolarHBondContact OG-CE1 3.16Å; E247-Y251 VanDerWaalsContact O-CD2 3.25Å; E247-Y251 WeakPolarHBondContact O-CD2 3.49Å; E247-Y251 PolarHBondContact O-N 3.12Å; E247-Y251 WeakPolarHBondContact OE2-CE2 3.4Å
252C93.5Very high89.9Confident0 Ų022 Ų220%012%0.124CC..  trans-84.6145.8-179.5-58.50000111.5I217 M248 G324I217-C252 HydrophobicContact CB-CB 4.5Å; I217-C252 HydrophobicContact CG2-CB 4.45Å; M248-C252 WeakPolarHBondContact O-CA 3.45Å; M248-C252 WeakPolarHBondContact O-CB 3.13Å; M248-C252 PolarHBondContact O-N 3.48Å; C252-G324 WeakPolarHBondContact O-CA 3.48Å; C252-G324 PolarHBondContact O-N 3.13Å
253L90.9Very high89.5Confident25 Ų2526 Ų2613%0.13113%0.132CC..SBendtrans-67.2-45.8170.4177.357.7000110.4P216 I217 L315 A319 G324P216-L253 HydrophobicContact CB-CD2 3.77Å; I217-L253 PolarHBondContact O-N 3.42Å; L253-L315 HydrophobicContact CD2-CB 3.76Å; L253-L315 HydrophobicContact CD2-CD1 4.2Å; L253-L315 HydrophobicContact CG-CB 4.28Å; L253-A319 HydrophobicContact CD1-CB 4.5Å; L253-G324 PolarHBondContact O-N 2.83Å
254L90Very high88.8Confident0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-138139.4176.3-170.265.5000109L218 G219 L315 V318 A319 E325 A327 L474L218-L254 WeakPolarHBondContact CA-O 3.34Å; L218-L254 HydrophobicContact CD1-CB 4.12Å; L218-L254 HydrophobicContact CD1-CD2 4.34Å; L218-L254 HydrophobicContact CD1-CG 4.4Å; G219-L254 PolarHBondContact N-O 3.27Å; L254-L315 HydrophobicContact CB-CD2 4.26Å; L254-L315 HydrophobicContact CD2-CD2 3.74Å; L254-V318 HydrophobicContact CD1-CG1 4.29Å; L254-V318 HydrophobicContact CD2-CB 4.19Å; L254-V318 HydrophobicContact CD2-CG1 4.18Å; L254-A319 HydrophobicContact CD1-CB 4.17Å; L254-E325 HydrophobicContact CD1-CB 3.97Å; L254-E325 WeakPolarHBondContact CD1-O 3.19Å; L254-A327 HydrophobicContact CD1-CB 3.8Å; L254-A327 HydrophobicContact CD2-CB 3.88Å; L254-A327 HydrophobicContact CG-CB 3.99Å; L254-L474 HydrophobicContact CD2-CD1 4.26Å
255T90.3Very high87.8Confident5 Ų531.3 Ų31.33%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-113.7128.6173.1-56.60000109.4G219 P221 L245 M248 P257 E325 L326 A327G219-T255 CarbonylContact O-C 3.45Å; G219-T255 WeakPolarHBondContact O-CA 2.85Å; P221-T255 HydrophobicContact CG-CG2 4.04Å; L245-T255 HydrophobicContact CD2-CG2 4.21Å; M248-T255 HydrophobicContact CB-CG2 3.94Å; M248-T255 WeakPolarHBondContact CB-OG1 3.16Å; M248-T255 HydrophobicContact SD-CG2 3.78Å; T255-P257 HydrophobicContact CG2-CG 4.41Å; T255-E325 PolarHBondContact N-O 3.38Å; T255-L326 HydrophobicContact CG2-CD1 4.47Å; T255-L326 CarbonylContact O-C 3.24Å; T255-L326 WeakPolarHBondContact O-CA 3.28Å; T255-L326 WeakPolarHBondContact O-CD1 3.28Å; T255-A327 PolarHBondContact O-N 2.8Å
256T90.4Very high86.3Confident4 Ų430.6 Ų30.63%0.02515%0.15CC..  trans-128.291.3178.8-55.30000109.5G219 L258 L329 L474G219-T256 PolarHBondContact O-N 2.8Å; T256-L258 HydrophobicContact CG2-CD2 4.18Å; T256-L258 WeakPolarHBondContact O-CG 3.15Å; T256-L258 PolarHBondContact O-N 2.88Å; T256-L329 HydrophobicContact CG2-CB 3.75Å; T256-L474 HydrophobicContact CG2-CD2 3.92Å
257P91.8Very high84.6Confident0 Ų033.8 Ų33.80%017%0.167CC..  trans-58.8132.4176.4-31.541.5000112.4P221 W223 L245 T255 L326 T363 P364P221-P257 HydrophobicContact CG-CB 4.34Å; P221-P257 HydrophobicContact CG-CG 4.18Å; W223-P257 HydrophobicContact CE3-CB 4.42Å; W223-P257 HydrophobicContact CH2-CB 4.15Å; W223-P257 HydrophobicContact CZ3-CB 3.52Å; W223-P257 HydrophobicContact CZ3-CG 4.32Å; L245-P257 HydrophobicContact CD2-CG 3.95Å; T255-P257 HydrophobicContact CG2-CG 4.41Å; P257-L326 HydrophobicContact CG-CD1 3.43Å; P257-L326 VanDerWaalsContact CG-CD1 3.43Å; P257-T363 HydrophobicContact CB-CG2 4.21Å; P257-T363 WeakPolarHBondContact O-CA 3.3Å; P257-T363 WeakPolarHBondContact O-CB 3.45Å; P257-T363 PolarHBondContact O-OG1 2.84Å; P257-P364 HydrophobicContact CB-CG 4.49Å
258L93.4Very high83.1Confident0 Ų037.7 Ų37.70%019%0.189CC..BIsolated β-bridgetrans-117.3121.7-177.2-59.8-174.1000111.1L220 P221 C222 W223 T256 L291 L329 L362L220-L258 HydrophobicContact CB-CD1 4.41Å; L220-L258 HydrophobicContact CD2-CD1 4.11Å; L220-L258 HydrophobicContact CD2-CG 4.4Å; P221-L258 PolarHBondContact O-N 2.8Å; C222-L258 CarbonylContact C-O 3.57Å; C222-L258 WeakPolarHBondContact CA-O 3.44Å; W223-L258 PolarHBondContact N-O 3.4Å; T256-L258 HydrophobicContact CG2-CD2 4.18Å; T256-L258 WeakPolarHBondContact O-CG 3.15Å; T256-L258 PolarHBondContact O-N 2.88Å; L258-L291 HydrophobicContact CB-CD1 4.22Å; L258-L291 HydrophobicContact CB-CD2 4.24Å; L258-L329 HydrophobicContact CD2-CB 4.29Å; L258-L329 HydrophobicContact CD2-CD2 3.56Å; L258-L362 CarbonylContact C-O 3.49Å; L258-L362 VanDerWaalsContact CA-O 3.26Å; L258-L362 WeakPolarHBondContact CA-O 3.31Å
259S92.7Very high81.5Confident0 Ų038.9 Ų38.90%020%0.198CC..  trans-161.7149.1171-167.30000110.9W223 H224 S261 L362W223-S259 PolarHBondContact O-OG 2.87Å; W223-S259 VanDerWaalsContact O-OG 3.11Å; H224-S259 PolarHBondContact O-OG 3.21Å; S259-S261 VanDerWaalsContact C-N 3.29Å; S259-S261 WeakPolarHBondContact OG-CB 3.39Å; S259-S261 PolarHBondContact OG-N 2.86Å; S259-L362 PolarHBondContact N-O 3.31Å; S259-L362 CarbonylContact O-C 3.56Å; S259-L362 VanDerWaalsContact O-C 3.25Å; S259-L362 WeakPolarHBondContact O-CA 3.17Å
260L91.9Very high80.9Confident0 Ų040 Ų400%020%0.204CC..SBendtrans-87.7-1.9164.1-55-175.4000112.3T225 Y271 R272 F274 Y279 T287 I290 L291 L362T225-L260 HydrophobicContact CG2-CB 3.84Å; L260-Y271 CarbonylContact O-C 3.37Å; L260-Y271 VanDerWaalsContact O-CA 3.26Å; L260-Y271 WeakPolarHBondContact O-CA 3.44Å; L260-R272 WeakPolarHBondContact O-CG 3.48Å; L260-R272 PolarHBondContact O-N 3.03Å; L260-F274 HydrophobicContact CD2-CE2 4.22Å; L260-F274 HydrophobicContact CD2-CZ 4.37Å; L260-Y279 HydrophobicContact CD1-CD2 4.32Å; L260-Y279 HydrophobicContact CD1-CE2 3.77Å; L260-T287 HydrophobicContact CD1-CG2 4.02Å; L260-I290 HydrophobicContact CD1-CB 4.09Å; L260-I290 HydrophobicContact CD1-CD1 3.73Å; L260-I290 HydrophobicContact CD1-CG1 4.45Å; L260-I290 HydrophobicContact CD1-CG2 4.35Å; L260-I290 HydrophobicContact CD2-CB 4.33Å; L260-I290 HydrophobicContact CD2-CG2 3.85Å; L260-L291 HydrophobicContact CD2-CD2 3.8Å; L260-L291 HydrophobicContact CD2-CG 4.47Å; L260-L291 HydrophobicContact CG-CD2 4.2Å; L260-L291 HydrophobicContact CG-CG 4.47Å; L260-L362 HydrophobicContact CD2-CD2 3.58Å
261S88.7Confident80.6Confident2 Ų241 Ų411%0.01420%0.2CC..BIsolated β-bridgetrans-74.9135.9167.1-173.30000109.9T225 S259 R263 P364T225-S261 WeakPolarHBondContact O-CB 3.34Å; S259-S261 VanDerWaalsContact C-N 3.29Å; S259-S261 WeakPolarHBondContact OG-CB 3.39Å; S259-S261 PolarHBondContact OG-N 2.86Å; S261-R263 VanDerWaalsContact C-N 3.31Å; S261-R263 VanDerWaalsContact OG-C 3.3Å; S261-R263 PolarHBondContact OG-N 3.26Å; S261-R263 PolarHBondContact OG-O 3.45Å; S261-P364 WeakPolarHBondContact O-CA 3.33Å; S261-P364 WeakPolarHBondContact O-CB 3.46Å
262S79.2Confident80.2Confident14 Ų1439.9 Ų39.910%0.09820%0.195CC..SBendtrans-78-18.4170.677.40000113.8Q270 R272 P364S262-Q270 WeakPolarHBondContact CB-O 3.43Å; S262-Q270 PolarHBondContact N-O 3.36Å; S262-Q270 WeakPolarHBondContact OG-CB 3.3Å; S262-Q270 PolarHBondContact OG-O 3.26Å; S262-Q270 PolarHBondContact OG-OE1 3.18Å; S262-R272 VanDerWaalsContact CA-CZ 3.4Å; S262-R272 VanDerWaalsContact CA-NH1 3.32Å; S262-P364 CarbonylContact C-O 3.56Å
263R76.1Confident79.6Confident119 Ų11946.5 Ų46.545%0.44922%0.224SC..  trans-152.9116.6-174.5-67.4-177.8-178.8-178.6-2.1107.9S261 W265 A266S261-R263 VanDerWaalsContact C-N 3.31Å; S261-R263 VanDerWaalsContact OG-C 3.3Å; S261-R263 PolarHBondContact OG-N 3.26Å; S261-R263 PolarHBondContact OG-O 3.45Å; R263-W265 VanDerWaalsContact C-N 3.29Å; R263-W265 PolarHBondContact O-N 2.66Å; R263-A266 HydrophobicContact CB-CB 3.73Å; R263-A266 HydrophobicContact CG-CB 4.38Å
264L75.5Confident79Confident5 Ų545.7 Ų45.73%0.02622%0.219CC..THydrogen-bonded Turntrans-65.4-31.2-178-66.5-168.1000113.3W223 F227 L237 T241 P364 F365W223-L264 HydrophobicContact CB-CD2 3.7Å; W223-L264 HydrophobicContact CD2-CD1 3.7Å; W223-L264 HydrophobicContact CD2-CD2 4.14Å; W223-L264 VanDerWaalsContact CE2-CD1 3.49Å; W223-L264 HydrophobicContact CE3-CD1 4.44Å; W223-L264 HydrophobicContact CG-CD1 3.83Å; W223-L264 HydrophobicContact CG-CD2 3.68Å; W223-L264 HydrophobicContact CG-CG 4.45Å; W223-L264 HydrophobicContact CZ2-CD1 4.07Å; F227-L264 HydrophobicContact CE2-CD2 4.27Å; L237-L264 VanDerWaalsContact CD2-O 3.24Å; L237-L264 WeakPolarHBondContact CD2-O 3.34Å; T241-L264 HydrophobicContact CG2-CD1 4.08Å; L264-P364 HydrophobicContact CD1-CG 4.23Å; L264-P364 HydrophobicContact CD2-CB 3.61Å; L264-P364 HydrophobicContact CD2-CG 3.8Å; L264-P364 HydrophobicContact CG-CB 3.73Å; L264-P364 HydrophobicContact CG-CG 3.9Å; L264-F365 HydrophobicContact CB-CE1 4.19Å; L264-F365 HydrophobicContact CB-CZ 4.45Å; L264-F365 HydrophobicContact CD1-CE1 3.79Å; L264-F365 HydrophobicContact CD1-CE2 4.12Å; L264-F365 HydrophobicContact CD1-CZ 3.24Å; L264-F365 HydrophobicContact CG-CE1 3.74Å; L264-F365 HydrophobicContact CG-CZ 3.73Å
265W68.3Low78Confident122 Ų12248.4 Ų48.446%0.46224%0.242SC..THydrogen-bonded Turntrans-120.514.5-169.35377.9000115.1R263 F365R263-W265 VanDerWaalsContact C-N 3.29Å; R263-W265 PolarHBondContact O-N 2.66Å; W265-F365 HydrophobicContact CE3-CE1 4.1Å; W265-F365 AromaticContact CH2-CD1 3.73Å; W265-F365 HydrophobicContact CH2-CD1 3.73Å; W265-F365 AromaticContact CH2-CE1 3.28Å; W265-F365 HydrophobicContact CH2-CE1 3.28Å; W265-F365 HydrophobicContact CH2-CZ 4.1Å; W265-F365 HydrophobicContact CZ2-CE1 4.3Å; W265-F365 HydrophobicContact CZ3-CD1 4.1Å; W265-F365 AromaticContact CZ3-CE1 3.17Å; W265-F365 HydrophobicContact CZ3-CE1 3.17Å; W265-F365 AromaticContact CZ3-CZ 3.7Å; W265-F365 HydrophobicContact CZ3-CZ 3.7Å
266A58.8Low77Confident27 Ų2750.9 Ų50.922%0.22325%0.253CS..  trans-83.1130.817600000110.8R263 D268 S269R263-A266 HydrophobicContact CB-CB 3.73Å; R263-A266 HydrophobicContact CG-CB 4.38Å; A266-D268 PolarHBondContact O-N 2.84Å; A266-S269 PolarHBondContact O-N 2.75Å
267T53.7Low76.4Confident128 Ų12851.2 Ų51.279%0.78525%0.254SS*.SBendtrans-54.6-41.8171.440.80000111.4S269T267-S269 VanDerWaalsContact C-N 3.32Å; T267-S269 PolarHBondContact O-N 3.46Å; T267-S269 VanDerWaalsContact O-N 3.17Å
268D58.2Low75.9Confident131 Ų13156.9 Ų56.970%0.70128%0.284SS*.SBendtrans-85.873.2167.4-63.8-25.1000109.5A266 Q270A266-D268 PolarHBondContact O-N 2.84Å; D268-Q270 WeakPolarHBondContact O-CG 3.36Å; D268-Q270 PolarHBondContact O-N 2.96Å
269S56.8Low75.7Confident25 Ų2558 Ų5818%0.17529%0.289CS..  trans-51.6116.6176.169.80000109.2F226 A266 T267F226-S269 WeakPolarHBondContact CD2-OG 3.13Å; F226-S269 WeakPolarHBondContact CE2-OG 3.42Å; A266-S269 PolarHBondContact O-N 2.75Å; T267-S269 VanDerWaalsContact C-N 3.32Å; T267-S269 PolarHBondContact O-N 3.46Å; T267-S269 VanDerWaalsContact O-N 3.17Å
270Q74.9Confident75.7Confident96 Ų9661.9 Ų61.945%0.44931%0.306SS..  trans-97.7130.6169.6-23.8174-37.200106.7S262 D268S262-Q270 WeakPolarHBondContact CB-O 3.43Å; S262-Q270 PolarHBondContact N-O 3.36Å; S262-Q270 WeakPolarHBondContact OG-CB 3.3Å; S262-Q270 PolarHBondContact OG-O 3.26Å; S262-Q270 PolarHBondContact OG-OE1 3.18Å; D268-Q270 WeakPolarHBondContact O-CG 3.36Å; D268-Q270 PolarHBondContact O-N 2.96Å
271Y83.1Confident75.6Confident102 Ų10265.5 Ų65.540%0.432%0.322SS..BIsolated β-bridgetrans-110157.8-179.950.1-83.3000108.9L260 F273 K281L260-Y271 CarbonylContact O-C 3.37Å; L260-Y271 VanDerWaalsContact O-CA 3.26Å; L260-Y271 WeakPolarHBondContact O-CA 3.44Å; Y271-F273 PolarHBondContact O-N 2.72Å; Y271-K281 HydrophobicContact CD1-CD 3.57Å; Y271-K281 HydrophobicContact CD2-CD 4.16Å; Y271-K281 HydrophobicContact CE1-CD 3.44Å; Y271-K281 VanDerWaalsContact CE1-CD 3.44Å; Y271-K281 HydrophobicContact CE2-CD 4.01Å; Y271-K281 HydrophobicContact CG-CB 4.48Å; Y271-K281 HydrophobicContact CG-CD 3.94Å; Y271-K281 PolarHBondContact OH-NZ 3.09Å
272R86.7Confident75.6Confident33 Ų3371.5 Ų71.513%0.12535%0.349CS..  trans-66.4133.1179.6-59.5-47.4-180-161.9-0.3110.8L260 S262 F274 Y279 Q360 S361 T363L260-R272 WeakPolarHBondContact O-CG 3.48Å; L260-R272 PolarHBondContact O-N 3.03Å; S262-R272 VanDerWaalsContact CA-CZ 3.4Å; S262-R272 VanDerWaalsContact CA-NH1 3.32Å; R272-F274 HydrophobicContact CB-CD2 4.42Å; R272-F274 HydrophobicContact CB-CE2 3.7Å; R272-F274 HydrophobicContact CB-CZ 4.08Å; R272-Y279 WeakPolarHBondContact O-CE1 3.02Å; R272-Y279 PolarHBondContact O-OH 2.84Å; R272-Q360 HydrophobicContact CB-CB 4.18Å; R272-Q360 HydrophobicContact CB-CG 4.32Å; R272-Q360 HydrophobicContact CG-CB 4.31Å; R272-S361 WeakPolarHBondContact CD-O 3.35Å; R272-S361 PolarHBondContact NE-O 3.45Å; R272-S361 PolarHBondContact NH2-O 2.84Å; R272-T363 PolarHBondContact NH2-O 3Å
273F81.2Confident76.3Confident139 Ų13972.2 Ų72.261%0.6135%0.352SS*.  trans-101.6128.6173.7177.7-97.8000109.2Y271 A275 Q360Y271-F273 PolarHBondContact O-N 2.72Å; F273-A275 HydrophobicContact CE1-CB 4.27Å; F273-Q360 WeakPolarHBondContact O-CG 3.35Å; F273-Q360 PolarHBondContact O-NE2 2.95Å
274F77.4Confident77.3Confident8 Ų868.3 Ų68.34%0.03534%0.342CS..  trans-118.4123173.2-59.6-91.1000107.3L260 R272 H276 L277 Y279 I290 L331 Y333 Q360 L362L260-F274 HydrophobicContact CD2-CE2 4.22Å; L260-F274 HydrophobicContact CD2-CZ 4.37Å; R272-F274 HydrophobicContact CB-CD2 4.42Å; R272-F274 HydrophobicContact CB-CE2 3.7Å; R272-F274 HydrophobicContact CB-CZ 4.08Å; F274-H276 PolarHBondContact O-N 3.03Å; F274-L277 HydrophobicContact CB-CB 3.87Å; F274-L277 HydrophobicContact CB-CD1 3.75Å; F274-L277 HydrophobicContact CB-CG 3.77Å; F274-L277 HydrophobicContact CD1-CD1 4.34Å; F274-L277 HydrophobicContact CD2-CD1 3.87Å; F274-L277 HydrophobicContact CG-CD1 3.75Å; F274-L277 HydrophobicContact CG-CG 4.33Å; F274-L277 PolarHBondContact O-N 3.42Å; F274-L277 VanDerWaalsContact O-N 3.1Å; F274-Y279 HydrophobicContact CD2-CD1 4.48Å; F274-Y279 AromaticContact CD2-CE1 3.98Å; F274-Y279 HydrophobicContact CD2-CE1 3.98Å; F274-Y279 HydrophobicContact CE2-CE1 4.44Å; F274-I290 HydrophobicContact CE2-CD1 4.44Å; F274-I290 HydrophobicContact CE2-CG2 4.06Å; F274-I290 HydrophobicContact CZ-CG2 3.95Å; F274-L331 HydrophobicContact CE1-CB 4.49Å; F274-L331 HydrophobicContact CE1-CD2 3.99Å; F274-L331 HydrophobicContact CE1-CG 4.3Å; F274-L331 HydrophobicContact CZ-CD2 4.19Å; F274-Y333 WeakPolarHBondContact CD1-O 3.46Å; F274-Q360 HydrophobicContact CD1-CB 4.15Å; F274-Q360 HydrophobicContact CD1-CG 3.79Å; F274-Q360 HydrophobicContact CE1-CB 3.48Å; F274-Q360 VanDerWaalsContact CE1-CB 3.48Å; F274-Q360 HydrophobicContact CE1-CG 3.66Å; F274-Q360 HydrophobicContact CG-CG 4.34Å; F274-Q360 HydrophobicContact CZ-CB 3.71Å; F274-Q360 HydrophobicContact CZ-CG 4.07Å; F274-L362 HydrophobicContact CZ-CD2 3.96Å
275A68.4Low78.2Confident57 Ų5768.3 Ų68.347%0.47134%0.341SS..THydrogen-bonded Turntrans-55.3-27.9-171.700000114F273F273-A275 HydrophobicContact CE1-CB 4.27Å
276H69.8Low79.5Confident57 Ų5762.6 Ų62.626%0.26432%0.32SS..THydrogen-bonded Turntrans-115.711.4-173.5-59.2-59.3000113.2F274 P334 C437F274-H276 PolarHBondContact O-N 3.03Å; H276-P334 HydrophobicContact CB-CG 3.46Å; H276-P334 VanDerWaalsContact CB-CG 3.46Å; H276-P334 PolarHBondContact CD2-O 3.29Å; H276-C437 VanDerWaalsContact C-SG 3.58Å; H276-C437 PolarHBondContact O-N 2.84Å
277L78.5Confident81.3Confident11 Ų1161.4 Ų61.46%0.05831%0.31CS..BIsolated β-bridgetrans-114.3122.7172.9-57.3179.2000111.8F274 Y279 I290 Y333 P334 I435 L436F274-L277 HydrophobicContact CB-CB 3.87Å; F274-L277 HydrophobicContact CB-CD1 3.75Å; F274-L277 HydrophobicContact CB-CG 3.77Å; F274-L277 HydrophobicContact CD1-CD1 4.34Å; F274-L277 HydrophobicContact CD2-CD1 3.87Å; F274-L277 HydrophobicContact CG-CD1 3.75Å; F274-L277 HydrophobicContact CG-CG 4.33Å; F274-L277 PolarHBondContact O-N 3.42Å; F274-L277 VanDerWaalsContact O-N 3.1Å; L277-Y279 HydrophobicContact CB-CD1 4.17Å; L277-Y279 PolarHBondContact O-N 3.44Å; L277-I290 HydrophobicContact CD1-CD1 3.76Å; L277-I290 HydrophobicContact CD1-CG1 4.05Å; L277-Y333 HydrophobicContact CD1-CD1 3.82Å; L277-Y333 HydrophobicContact CD1-CE1 4.05Å; L277-Y333 HydrophobicContact CD2-CD1 4.36Å; L277-Y333 HydrophobicContact CD2-CE1 3.95Å; L277-P334 VanDerWaalsContact CD2-CD 3.42Å; L277-P334 HydrophobicContact CD2-CG 4.01Å; L277-P334 VanDerWaalsContact CG-CD 3.46Å; L277-P334 HydrophobicContact CG-CG 4.49Å; L277-I435 CarbonylContact C-O 3.52Å; L277-I435 VanDerWaalsContact CA-O 3.22Å; L277-I435 WeakPolarHBondContact CA-O 3.39Å; L277-I435 HydrophobicContact CD1-CD1 4.41Å; L277-I435 HydrophobicContact CD2-CD1 4.15Å; L277-I435 HydrophobicContact CD2-CG1 4.11Å; L277-L436 HydrophobicContact CD2-CD2 3.69Å
278N81.7Confident83.3Confident118 Ų11855.3 Ų55.363%0.63127%0.272SS*.  trans-98.470165.8-173.118000109.8I435 C437N278-I435 PolarHBondContact N-O 2.86Å; N278-C437 PolarHBondContact N-SG 3.28Å; N278-C437 VanDerWaalsContact N-SG 3.43Å
279Y89.2Confident85Confident23 Ų2349 Ų499%0.0924%0.239CC..  trans-94.3140.8179.381.1-85.8000111.8L260 R272 F274 L277 K281 T287 I290L260-Y279 HydrophobicContact CD1-CD2 4.32Å; L260-Y279 HydrophobicContact CD1-CE2 3.77Å; R272-Y279 WeakPolarHBondContact O-CE1 3.02Å; R272-Y279 PolarHBondContact O-OH 2.84Å; F274-Y279 HydrophobicContact CD2-CD1 4.48Å; F274-Y279 AromaticContact CD2-CE1 3.98Å; F274-Y279 HydrophobicContact CD2-CE1 3.98Å; F274-Y279 HydrophobicContact CE2-CE1 4.44Å; L277-Y279 HydrophobicContact CB-CD1 4.17Å; L277-Y279 PolarHBondContact O-N 3.44Å; Y279-K281 HydrophobicContact CE2-CB 3.99Å; Y279-K281 PolarHBondContact O-N 3.31Å; Y279-T287 HydrophobicContact CD2-CG2 4.04Å; Y279-T287 HydrophobicContact CE2-CG2 3.98Å; Y279-I290 HydrophobicContact CD1-CD1 3.78Å; Y279-I290 HydrophobicContact CD2-CD1 4.03Å; Y279-I290 HydrophobicContact CE1-CD1 4.28Å; Y279-I290 HydrophobicContact CG-CD1 3.64Å
280K91.9Very high86.6Confident82 Ų8247.9 Ų47.936%0.35723%0.231SC..  trans-81.7103.8174.6-70.9172.4178.8167.50109.3D124 H282 L283 H286D124-K280 WeakPolarHBondContact OD2-CE 3.45Å; D124-K280 IonicContact OD2-NZ 3.65Å; D124-K280 PolarHBondContact OD2-NZ 3.35Å; K280-H282 PolarHBondContact O-N 3.45Å; K280-L283 HydrophobicContact CB-CB 4.23Å; K280-L283 HydrophobicContact CB-CD1 3.86Å; K280-L283 HydrophobicContact CB-CG 3.9Å; K280-L283 HydrophobicContact CD-CD1 3.48Å; K280-L283 VanDerWaalsContact CD-CD1 3.48Å; K280-L283 HydrophobicContact CD-CG 4.27Å; K280-L283 HydrophobicContact CG-CD1 4.31Å; K280-L283 PolarHBondContact O-N 3.44Å; K280-H286 PolarHBondContact N-ND1 3.32Å
281K89.1Confident87.5Confident77 Ų7743.3 Ų43.334%0.33521%0.209SC..THydrogen-bonded Turntrans-55.6-22.2-177.965.3-175.6175.6-176.70116.1T225 Y271 Y279T225-K281 HydrophobicContact CG2-CB 4.29Å; Y271-K281 HydrophobicContact CD1-CD 3.57Å; Y271-K281 HydrophobicContact CD2-CD 4.16Å; Y271-K281 HydrophobicContact CE1-CD 3.44Å; Y271-K281 VanDerWaalsContact CE1-CD 3.44Å; Y271-K281 HydrophobicContact CE2-CD 4.01Å; Y271-K281 HydrophobicContact CG-CB 4.48Å; Y271-K281 HydrophobicContact CG-CD 3.94Å; Y271-K281 PolarHBondContact OH-NZ 3.09Å; Y279-K281 HydrophobicContact CE2-CB 3.99Å; Y279-K281 PolarHBondContact O-N 3.31Å
282H90.1Very high88Confident128 Ų12838.4 Ų38.459%0.59319%0.19SC*.THydrogen-bonded Turntrans-91.5-5.6-18063.4-89000113.4K280 P284K280-H282 PolarHBondContact O-N 3.45Å; H282-P284 WeakPolarHBondContact O-CD 3.34Å
283L94Very high88.1Confident29 Ų2936.9 Ų36.915%0.15218%0.184CC..  trans-100.4111.9178.8-66-174.7000109.9D124 K280 Y285 H286 T287D124-L283 HydrophobicContact CB-CD1 3.84Å; K280-L283 HydrophobicContact CB-CB 4.23Å; K280-L283 HydrophobicContact CB-CD1 3.86Å; K280-L283 HydrophobicContact CB-CG 3.9Å; K280-L283 HydrophobicContact CD-CD1 3.48Å; K280-L283 VanDerWaalsContact CD-CD1 3.48Å; K280-L283 HydrophobicContact CD-CG 4.27Å; K280-L283 HydrophobicContact CG-CD1 4.31Å; K280-L283 PolarHBondContact O-N 3.44Å; L283-Y285 PolarHBondContact O-N 2.77Å; L283-Y285 VanDerWaalsContact O-N 3.17Å; L283-H286 HydrophobicContact CB-CB 4.31Å; L283-H286 PolarHBondContact O-N 3.26Å; L283-T287 PolarHBondContact O-N 3.04Å; L283-T287 VanDerWaalsContact O-N 3.14Å; L283-T287 PolarHBondContact O-OG1 2.79Å
284P95.1Very high88.4Confident36 Ų3630.2 Ų30.223%0.23416%0.155CC..Hα-helixtrans-53.2-35.9173.2-28.536.6000112.6Y16 F19 H282 H286 T287 A288Y16-P284 HydrophobicContact CD2-CB 4.06Å; Y16-P284 HydrophobicContact CE2-CB 3.97Å; F19-P284 HydrophobicContact CD1-CB 3.93Å; F19-P284 HydrophobicContact CD2-CB 4.3Å; F19-P284 HydrophobicContact CE1-CB 3.97Å; F19-P284 HydrophobicContact CE2-CB 4.33Å; F19-P284 HydrophobicContact CG-CB 4.1Å; F19-P284 HydrophobicContact CZ-CB 4.17Å; H282-P284 WeakPolarHBondContact O-CD 3.34Å; P284-H286 PolarHBondContact O-N 2.83Å; P284-T287 PolarHBondContact O-N 3.5Å; P284-T287 PolarHBondContact O-OG1 3.38Å; P284-A288 WeakPolarHBondContact O-CB 3.41Å; P284-A288 PolarHBondContact O-N 2.95Å
285Y96.5Very high89.1Confident5 Ų529.9 Ų29.92%0.0215%0.154CC..Hα-helixtrans-54.1-37.2174.4177.2-123.4000113.3H23 L123 V127 F133 L283 P431 P433H23-Y285 AromaticContact CE1-CD2 3.77Å; H23-Y285 AromaticContact CE1-CE2 3.46Å; H23-Y285 VanDerWaalsContact CE1-CE2 3.46Å; H23-Y285 WeakPolarHBondContact CE1-CE2 3.13Å; H23-Y285 AromaticContact NE2-CD2 3.39Å; H23-Y285 WeakPolarHBondContact NE2-CD2 3.04Å; H23-Y285 AromaticContact NE2-CE2 3.62Å; H23-Y285 PolarHBondContact NE2-O 3.09Å; L123-Y285 HydrophobicContact CB-CE1 3.87Å; V127-Y285 HydrophobicContact CB-CD2 4.41Å; V127-Y285 HydrophobicContact CB-CG 4.21Å; V127-Y285 HydrophobicContact CG1-CD2 3.96Å; V127-Y285 HydrophobicContact CG1-CG 3.96Å; V127-Y285 HydrophobicContact CG2-CD2 4.24Å; V127-Y285 HydrophobicContact CG2-CE2 4.31Å; V127-Y285 HydrophobicContact CG2-CG 4.38Å; F133-Y285 HydrophobicContact CB-CE2 4.08Å; F133-Y285 AromaticContact CD1-CD2 3.75Å; F133-Y285 HydrophobicContact CD1-CD2 3.75Å; F133-Y285 HydrophobicContact CD1-CE2 4.03Å; F133-Y285 HydrophobicContact CD2-CD2 4.28Å; F133-Y285 AromaticContact CD2-CE2 3.98Å; F133-Y285 HydrophobicContact CD2-CE2 3.98Å; F133-Y285 AromaticContact CE1-CD2 3.83Å; F133-Y285 HydrophobicContact CE1-CD2 3.83Å; F133-Y285 HydrophobicContact CE1-CE2 4.44Å; F133-Y285 HydrophobicContact CE2-CD2 4.4Å; F133-Y285 HydrophobicContact CE2-CE2 4.46Å; F133-Y285 AromaticContact CG-CD2 3.97Å; F133-Y285 HydrophobicContact CG-CD2 3.97Å; F133-Y285 AromaticContact CG-CE2 3.77Å; F133-Y285 HydrophobicContact CG-CE2 3.77Å; F133-Y285 HydrophobicContact CZ-CD2 4.19Å; L283-Y285 PolarHBondContact O-N 2.77Å; L283-Y285 VanDerWaalsContact O-N 3.17Å; Y285-P431 WeakPolarHBondContact CE2-O 3.26Å; Y285-P431 PolarHBondContact OH-O 2.75Å; Y285-P433 HydrophobicContact CD1-CB 4.04Å; Y285-P433 HydrophobicContact CE1-CB 3.6Å
286H95.1Very high89.9Confident2 Ų227.7 Ų27.71%0.00913%0.134CC..Hα-helixtrans-82-49.2178.9-72.8-134.8000111.4D124 K280 L283 P284 A289 I290 I435D124-H286 IonicContact OD1-CE1 3.08Å; D124-H286 IonicContact OD1-NE2 2.75Å; D124-H286 PolarHBondContact OD1-NE2 2.96Å; D124-H286 VanDerWaalsContact OD1-NE2 3.13Å; D124-H286 IonicContact OD2-CE1 2.81Å; D124-H286 PolarHBondContact OD2-CE1 3.46Å; D124-H286 IonicContact OD2-NE2 3.17Å; D124-H286 PolarHBondContact OD2-NE2 3.36Å; K280-H286 PolarHBondContact N-ND1 3.32Å; L283-H286 HydrophobicContact CB-CB 4.31Å; L283-H286 PolarHBondContact O-N 3.26Å; P284-H286 PolarHBondContact O-N 2.83Å; H286-A289 WeakPolarHBondContact O-CB 3.21Å; H286-A289 PolarHBondContact O-N 3.38Å; H286-I290 PolarHBondContact O-N 3.37Å; H286-I435 HydrophobicContact CB-CG2 4.29Å; H286-I435 WeakPolarHBondContact ND1-CG2 3.14Å
287T95.3Very high90.5Very high2 Ų225 Ų251%0.01212%0.121CC..Hα-helixtrans-69.7-38.7-171.4600000111.3Y16 T225 L260 Y279 L283 P284 A289 I290 L291Y16-T287 WeakPolarHBondContact OH-CB 3.29Å; Y16-T287 PolarHBondContact OH-OG1 3.44Å; T225-T287 VanDerWaalsContact OG1-CB 3.31Å; T225-T287 WeakPolarHBondContact OG1-CB 3.39Å; T225-T287 WeakPolarHBondContact OG1-CG2 3.41Å; L260-T287 HydrophobicContact CD1-CG2 4.02Å; Y279-T287 HydrophobicContact CD2-CG2 4.04Å; Y279-T287 HydrophobicContact CE2-CG2 3.98Å; L283-T287 PolarHBondContact O-N 3.04Å; L283-T287 VanDerWaalsContact O-N 3.14Å; L283-T287 PolarHBondContact O-OG1 2.79Å; P284-T287 PolarHBondContact O-N 3.5Å; P284-T287 PolarHBondContact O-OG1 3.38Å; T287-A289 VanDerWaalsContact C-N 3.31Å; T287-A289 PolarHBondContact O-N 2.95Å; T287-I290 PolarHBondContact O-N 3.26Å; T287-L291 PolarHBondContact O-N 3.15Å
288A96.7Very high90.8Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-66.6-31.4176.300000112.7Y16 F19 V20 P284 I290 L291 A292Y16-A288 HydrophobicContact CE2-CB 4.14Å; F19-A288 HydrophobicContact CB-CB 3.72Å; V20-A288 HydrophobicContact CB-CB 4.43Å; V20-A288 HydrophobicContact CG2-CB 3.72Å; P284-A288 WeakPolarHBondContact O-CB 3.41Å; P284-A288 PolarHBondContact O-N 2.95Å; A288-I290 VanDerWaalsContact C-N 3.33Å; A288-I290 PolarHBondContact O-N 2.68Å; A288-L291 PolarHBondContact O-N 3.21Å; A288-A292 VanDerWaalsContact O-CB 3.29Å; A288-A292 WeakPolarHBondContact O-CB 3.07Å; A288-A292 PolarHBondContact O-N 3.32Å
289A92.7Very high91.1Very high0 Ų019.2 Ų19.20%09%0.09CC..Hα-helixtrans-62.6-40.4175.900000111.8H23 H286 T287 A292 V293 F432 P433H23-A289 PolarHBondContact CD2-N 2.93Å; H286-A289 WeakPolarHBondContact O-CB 3.21Å; H286-A289 PolarHBondContact O-N 3.38Å; T287-A289 VanDerWaalsContact C-N 3.31Å; T287-A289 PolarHBondContact O-N 2.95Å; A289-A292 PolarHBondContact O-N 2.91Å; A289-V293 WeakPolarHBondContact O-CG2 3.19Å; A289-V293 PolarHBondContact O-N 2.88Å; A289-F432 HydrophobicContact CB-CD2 4.15Å; A289-F432 HydrophobicContact CB-CE2 3.69Å; A289-F432 HydrophobicContact CB-CZ 4.13Å; A289-P433 VanDerWaalsContact CB-CD 3.49Å; A289-P433 HydrophobicContact CB-CG 3.49Å; A289-P433 VanDerWaalsContact CB-CG 3.49Å
290I91.8Very high90.7Very high0 Ų018.4 Ų18.40%09%0.088CC..Hα-helixtrans-68.4-40.9177.3-59.7169.6000110.7L260 F274 L277 Y279 H286 T287 A288 A292 V293 G294 L331 L362 I435L260-I290 HydrophobicContact CD1-CB 4.09Å; L260-I290 HydrophobicContact CD1-CD1 3.73Å; L260-I290 HydrophobicContact CD1-CG1 4.45Å; L260-I290 HydrophobicContact CD1-CG2 4.35Å; L260-I290 HydrophobicContact CD2-CB 4.33Å; L260-I290 HydrophobicContact CD2-CG2 3.85Å; F274-I290 HydrophobicContact CE2-CD1 4.44Å; F274-I290 HydrophobicContact CE2-CG2 4.06Å; F274-I290 HydrophobicContact CZ-CG2 3.95Å; L277-I290 HydrophobicContact CD1-CD1 3.76Å; L277-I290 HydrophobicContact CD1-CG1 4.05Å; Y279-I290 HydrophobicContact CD1-CD1 3.78Å; Y279-I290 HydrophobicContact CD2-CD1 4.03Å; Y279-I290 HydrophobicContact CE1-CD1 4.28Å; Y279-I290 HydrophobicContact CG-CD1 3.64Å; H286-I290 PolarHBondContact O-N 3.37Å; T287-I290 PolarHBondContact O-N 3.26Å; A288-I290 VanDerWaalsContact C-N 3.33Å; A288-I290 PolarHBondContact O-N 2.68Å; I290-A292 VanDerWaalsContact C-N 3.33Å; I290-V293 WeakPolarHBondContact O-CB 3.35Å; I290-V293 PolarHBondContact O-N 3.1Å; I290-G294 PolarHBondContact O-N 3.46Å; I290-L331 HydrophobicContact CG2-CD2 3.65Å; I290-L362 HydrophobicContact CG2-CD2 4.45Å; I290-I435 HydrophobicContact CD1-CD1 3.93Å; I290-I435 HydrophobicContact CG1-CD1 3.68Å
291L94.1Very high90.1Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-64.5-39.6174.4-63.3-177.5000111.6Y16 V20 L258 L260 T287 A288 V293 G294 L295 L362Y16-L291 HydrophobicContact CE1-CD1 3.76Å; V20-L291 HydrophobicContact CG1-CB 4.2Å; V20-L291 HydrophobicContact CG2-CB 4.09Å; V20-L291 HydrophobicContact CG2-CD1 4.05Å; L258-L291 HydrophobicContact CB-CD1 4.22Å; L258-L291 HydrophobicContact CB-CD2 4.24Å; L260-L291 HydrophobicContact CD2-CD2 3.8Å; L260-L291 HydrophobicContact CD2-CG 4.47Å; L260-L291 HydrophobicContact CG-CD2 4.2Å; L260-L291 HydrophobicContact CG-CG 4.47Å; T287-L291 PolarHBondContact O-N 3.15Å; A288-L291 PolarHBondContact O-N 3.21Å; L291-V293 VanDerWaalsContact C-N 3.35Å; L291-V293 PolarHBondContact O-N 3.02Å; L291-G294 CarbonylContact O-C 3.57Å; L291-G294 WeakPolarHBondContact O-CA 3.3Å; L291-G294 PolarHBondContact O-N 2.69Å; L291-G294 VanDerWaalsContact O-N 3.1Å; L291-L295 PolarHBondContact O-N 3.04Å; L291-L362 HydrophobicContact CD2-CB 4.09Å; L291-L362 HydrophobicContact CD2-CD1 4.19Å; L291-L362 HydrophobicContact CD2-CD2 4.37Å; L291-L362 HydrophobicContact CD2-CG 4.47Å
292A93.1Very high89.9Confident0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-64.3-36.917600000112.5V20 H23 W24 M27 A288 A289 I290 G294 L295 E296V20-A292 HydrophobicContact CG1-CB 4.39Å; H23-A292 HydrophobicContact CB-CB 3.49Å; H23-A292 VanDerWaalsContact CB-CB 3.49Å; W24-A292 HydrophobicContact CB-CB 4.11Å; M27-A292 HydrophobicContact CE-CB 3.86Å; M27-A292 HydrophobicContact SD-CB 4.25Å; A288-A292 VanDerWaalsContact O-CB 3.29Å; A288-A292 WeakPolarHBondContact O-CB 3.07Å; A288-A292 PolarHBondContact O-N 3.32Å; A289-A292 PolarHBondContact O-N 2.91Å; I290-A292 VanDerWaalsContact C-N 3.33Å; A292-G294 VanDerWaalsContact C-N 3.28Å; A292-G294 PolarHBondContact O-N 2.88Å; A292-L295 PolarHBondContact O-N 2.84Å; A292-E296 VanDerWaalsContact O-CB 3.26Å; A292-E296 WeakPolarHBondContact O-CB 3.26Å; A292-E296 PolarHBondContact O-N 3.47Å
293V88.2Confident89.3Confident0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-57.6-43.2169.8159.40000111M27 A289 I290 L291 T297 L331 Y333 I426 F432 L470M27-V293 HydrophobicContact CE-CG2 3.72Å; M27-V293 HydrophobicContact SD-CG2 4.36Å; A289-V293 WeakPolarHBondContact O-CG2 3.19Å; A289-V293 PolarHBondContact O-N 2.88Å; I290-V293 WeakPolarHBondContact O-CB 3.35Å; I290-V293 PolarHBondContact O-N 3.1Å; L291-V293 VanDerWaalsContact C-N 3.35Å; L291-V293 PolarHBondContact O-N 3.02Å; V293-T297 WeakPolarHBondContact O-CB 3.41Å; V293-T297 PolarHBondContact O-N 3.22Å; V293-T297 PolarHBondContact O-OG1 3.07Å; V293-T297 VanDerWaalsContact O-OG1 3.07Å; V293-L331 HydrophobicContact CG1-CD1 4.05Å; V293-L331 HydrophobicContact CG1-CD2 4.39Å; V293-Y333 HydrophobicContact CG1-CD1 4.1Å; V293-Y333 HydrophobicContact CG1-CD2 4.33Å; V293-Y333 HydrophobicContact CG1-CE1 4.41Å; V293-Y333 HydrophobicContact CG1-CG 4.05Å; V293-Y333 HydrophobicContact CG2-CE1 4.3Å; V293-I426 HydrophobicContact CB-CD1 4.27Å; V293-I426 HydrophobicContact CG1-CD1 3.67Å; V293-I426 HydrophobicContact CG2-CD1 4.28Å; V293-I426 HydrophobicContact CG2-CG2 4.31Å; V293-F432 HydrophobicContact CG2-CE2 3.82Å; V293-F432 HydrophobicContact CG2-CZ 4.12Å; V293-L470 HydrophobicContact CG1-CD1 4.04Å; V293-L470 HydrophobicContact CG1-CD2 3.73Å; V293-L470 HydrophobicContact CG1-CG 4.45Å
294G87.8Confident88.1Confident0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-57.8-54.8172.200000112.2I290 L291 A292 E296 T297 V298 L472I290-G294 PolarHBondContact O-N 3.46Å; L291-G294 CarbonylContact O-C 3.57Å; L291-G294 WeakPolarHBondContact O-CA 3.3Å; L291-G294 PolarHBondContact O-N 2.69Å; L291-G294 VanDerWaalsContact O-N 3.1Å; A292-G294 VanDerWaalsContact C-N 3.28Å; A292-G294 PolarHBondContact O-N 2.88Å; G294-E296 PolarHBondContact O-N 2.88Å; G294-T297 PolarHBondContact O-N 2.96Å; G294-V298 PolarHBondContact O-N 2.73Å; G294-L472 WeakPolarHBondContact O-CD1 3.48Å
295L91.2Very high86.1Confident1 Ų110.1 Ų10.11%0.0056%0.06CC..Hα-helixtrans-60.3-46.5-179.1-178.955.8000112.5V20 W24 L190 L220 L291 A292 T297 V298 C299V20-L295 HydrophobicContact CG1-CD2 4.49Å; W24-L295 HydrophobicContact CB-CD2 4.32Å; W24-L295 HydrophobicContact CD2-CD2 3.6Å; W24-L295 HydrophobicContact CD2-CG 3.96Å; W24-L295 HydrophobicContact CE3-CD2 3.91Å; W24-L295 HydrophobicContact CG-CD2 3.81Å; W24-L295 HydrophobicContact CG-CG 4.11Å; W24-L295 HydrophobicContact CZ2-CD2 4.49Å; W24-L295 HydrophobicContact CZ2-CG 4.28Å; L190-L295 HydrophobicContact CD1-CD2 4.34Å; L190-L295 HydrophobicContact CD2-CD2 3.85Å; L190-L295 HydrophobicContact CG-CD2 4.47Å; L220-L295 HydrophobicContact CD1-CD1 3.44Å; L220-L295 VanDerWaalsContact CD1-CD1 3.44Å; L220-L295 HydrophobicContact CD1-CD2 4.32Å; L220-L295 HydrophobicContact CD2-CD1 4.46Å; L291-L295 PolarHBondContact O-N 3.04Å; A292-L295 PolarHBondContact O-N 2.84Å; L295-T297 PolarHBondContact O-N 3.27Å; L295-T297 VanDerWaalsContact O-N 3.15Å; L295-V298 HydrophobicContact CD1-CG1 4.3Å; L295-V298 WeakPolarHBondContact O-CG1 3.37Å; L295-V298 PolarHBondContact O-N 3.16Å; L295-C299 PolarHBondContact O-N 2.96Å; L295-C299 VanDerWaalsContact O-N 3.17Å; L295-C299 PolarHBondContact O-SG 3.33Å
296E86.7Confident84Confident11 Ų1116.8 Ų16.85%0.05110%0.096CC..Hα-helixtrans-61.4-28.7-178.3-176.240.6-150.800113.2W24 M27 Q28 A292 G294 K303 K386W24-E296 VanDerWaalsContact CD1-OE2 3.31Å; W24-E296 PolarHBondContact NE1-OE2 3.23Å; M27-E296 HydrophobicContact CB-CG 4.21Å; M27-E296 HydrophobicContact SD-CB 4.11Å; M27-E296 HydrophobicContact SD-CG 4.34Å; Q28-E296 VanDerWaalsContact CG-OE2 3.25Å; Q28-E296 WeakPolarHBondContact CG-OE2 3.47Å; A292-E296 VanDerWaalsContact O-CB 3.26Å; A292-E296 WeakPolarHBondContact O-CB 3.26Å; A292-E296 PolarHBondContact O-N 3.47Å; G294-E296 PolarHBondContact O-N 2.88Å; E296-K303 IonicContact OE2-NZ 3.39Å; E296-K386 VanDerWaalsContact CD-NZ 3.28Å; E296-K386 VanDerWaalsContact CG-NZ 3.34Å; E296-K386 PolarHBondContact O-NZ 3.48Å; E296-K386 IonicContact OE1-NZ 3.75Å; E296-K386 PolarHBondContact OE1-NZ 2.94Å
297T82.6Confident81.9Confident0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-92.2-36.4-177.4-58.80000111.5V293 G294 L295 C299 L300 C384 K386 I426 L470 L472V293-T297 WeakPolarHBondContact O-CB 3.41Å; V293-T297 PolarHBondContact O-N 3.22Å; V293-T297 PolarHBondContact O-OG1 3.07Å; V293-T297 VanDerWaalsContact O-OG1 3.07Å; G294-T297 PolarHBondContact O-N 2.96Å; L295-T297 PolarHBondContact O-N 3.27Å; L295-T297 VanDerWaalsContact O-N 3.15Å; T297-C299 PolarHBondContact O-N 2.93Å; T297-L300 WeakPolarHBondContact O-CB 2.98Å; T297-L300 PolarHBondContact O-N 3.19Å; T297-L300 VanDerWaalsContact O-N 3.13Å; T297-C384 HydrophobicContact CG2-CB 3.69Å; T297-C384 WeakPolarHBondContact O-CB 3.09Å; T297-C384 PolarHBondContact O-SG 2.84Å; T297-K386 HydrophobicContact CG2-CG 4.23Å; T297-I426 WeakPolarHBondContact OG1-CD1 3.01Å; T297-L470 HydrophobicContact CG2-CD2 3.97Å; T297-L472 HydrophobicContact CG2-CB 4.43Å; T297-L472 HydrophobicContact CG2-CD1 3.56Å; T297-L472 HydrophobicContact CG2-CG 4.16Å
298V84.6Confident80.3Confident7 Ų724.7 Ų24.74%0.04215%0.15CC..Hα-helixtrans-66.7-25.7175.478.20000112.2G294 L295 L300 P301 W302 L329 F382 L472 L474G294-V298 PolarHBondContact O-N 2.73Å; L295-V298 HydrophobicContact CD1-CG1 4.3Å; L295-V298 WeakPolarHBondContact O-CG1 3.37Å; L295-V298 PolarHBondContact O-N 3.16Å; V298-L300 PolarHBondContact O-N 3.06Å; V298-P301 WeakPolarHBondContact O-CD 3.37Å; V298-W302 VanDerWaalsContact O-CH2 3.23Å; V298-W302 WeakPolarHBondContact O-CH2 3.3Å; V298-W302 VanDerWaalsContact O-CZ3 3.24Å; V298-W302 WeakPolarHBondContact O-CZ3 3.4Å; V298-L329 HydrophobicContact CB-CD1 4.17Å; V298-L329 HydrophobicContact CG2-CD1 4.14Å; V298-F382 HydrophobicContact CG2-CE2 3.88Å; V298-F382 HydrophobicContact CG2-CZ 3.76Å; V298-L472 HydrophobicContact CB-CD1 4.43Å; V298-L474 HydrophobicContact CG2-CD1 3.75Å; V298-L474 HydrophobicContact CG2-CD2 4.32Å; V298-L474 HydrophobicContact CG2-CG 3.92Å
299C87.3Confident79.2Confident0 Ų026.3 Ų26.30%016%0.163CC..THydrogen-bonded Turntrans-74.2-9.3174.4-64.60000115H188 L295 T297 W302 K303H188-C299 VanDerWaalsContact CE1-SG 3.53Å; L295-C299 PolarHBondContact O-N 2.96Å; L295-C299 VanDerWaalsContact O-N 3.17Å; L295-C299 PolarHBondContact O-SG 3.33Å; T297-C299 PolarHBondContact O-N 2.93Å; C299-W302 VanDerWaalsContact CA-CZ2 3.47Å; C299-W302 HydrophobicContact CB-CZ2 3.92Å; C299-W302 PolarHBondContact O-N 2.72Å; C299-W302 VanDerWaalsContact SG-CZ2 3.59Å; C299-K303 HydrophobicContact CB-CD 3.84Å; C299-K303 HydrophobicContact CB-CG 4.16Å; C299-K303 WeakPolarHBondContact O-CB 3.49Å; C299-K303 WeakPolarHBondContact O-CG 3.37Å; C299-K303 PolarHBondContact O-N 3.44Å; C299-K303 VanDerWaalsContact O-N 3.09Å
300L80.8Confident78.7Confident7 Ų726.9 Ų26.94%0.03717%0.167CC..Hα-helixtrans-52.1-44.5-176.2-176.367.5000114.7T297 V298 W302 K303 C304 C384 K386 F420T297-L300 WeakPolarHBondContact O-CB 2.98Å; T297-L300 PolarHBondContact O-N 3.19Å; T297-L300 VanDerWaalsContact O-N 3.13Å; V298-L300 PolarHBondContact O-N 3.06Å; L300-W302 VanDerWaalsContact C-N 3.31Å; L300-W302 PolarHBondContact O-N 2.57Å; L300-K303 PolarHBondContact O-N 2.86Å; L300-C304 WeakPolarHBondContact CD1-SG 3.19Å; L300-C304 WeakPolarHBondContact O-CB 3.5Å; L300-C304 PolarHBondContact O-N 3.4Å; L300-C384 HydrophobicContact CB-CB 4.4Å; L300-C384 HydrophobicContact CD2-CB 4.38Å; L300-K386 HydrophobicContact CD2-CG 4.34Å; L300-F420 HydrophobicContact CD2-CB 4.17Å
301P80.2Confident78.6Confident3 Ų327 Ų272%0.01917%0.168CC..Hα-helixtrans-61.2-36.9-172.1-26.338.2000114V298 V314 F382 C384 F420V298-P301 WeakPolarHBondContact O-CD 3.37Å; P301-V314 HydrophobicContact CB-CB 4.39Å; P301-V314 HydrophobicContact CB-CG1 3.86Å; P301-V314 HydrophobicContact CB-CG2 3.66Å; P301-V314 HydrophobicContact CG-CG1 4.08Å; P301-F382 HydrophobicContact CG-CD2 4.15Å; P301-F382 HydrophobicContact CG-CE2 3.89Å; P301-C384 VanDerWaalsContact CD-SG 3.55Å; P301-C384 WeakPolarHBondContact CG-SG 3.42Å; P301-F420 HydrophobicContact CB-CD1 3.69Å; P301-F420 HydrophobicContact CB-CD2 3.93Å; P301-F420 HydrophobicContact CB-CE1 3.7Å; P301-F420 HydrophobicContact CB-CE2 3.93Å; P301-F420 HydrophobicContact CB-CG 3.8Å; P301-F420 HydrophobicContact CB-CZ 3.81Å; P301-F420 HydrophobicContact CG-CB 4.07Å; P301-F420 HydrophobicContact CG-CD1 4.04Å; P301-F420 HydrophobicContact CG-CD2 3.53Å; P301-F420 HydrophobicContact CG-CE1 4.37Å; P301-F420 HydrophobicContact CG-CE2 3.89Å; P301-F420 HydrophobicContact CG-CG 3.6Å; P301-F420 HydrophobicContact CG-CZ 4.3Å
302W83.7Confident78.3Confident24 Ų2428.8 Ų28.89%0.09118%0.18CC..Hα-helixtrans-100.3-10.4-179.160.784.2000113.8H188 L218 V298 C299 L300 A309 M311 V314 L315 F382H188-W302 AromaticContact CE1-NE1 3.47Å; H188-W302 PolarHBondContact CE1-NE1 2.79Å; H188-W302 AromaticContact NE2-CE2 3.66Å; H188-W302 AromaticContact NE2-CZ2 3.55Å; H188-W302 AromaticContact NE2-NE1 3.27Å; H188-W302 PolarHBondContact NE2-NE1 3.24Å; L218-W302 HydrophobicContact CD2-CH2 4.11Å; L218-W302 HydrophobicContact CD2-CZ2 4.06Å; V298-W302 VanDerWaalsContact O-CH2 3.23Å; V298-W302 WeakPolarHBondContact O-CH2 3.3Å; V298-W302 VanDerWaalsContact O-CZ3 3.24Å; V298-W302 WeakPolarHBondContact O-CZ3 3.4Å; C299-W302 VanDerWaalsContact CA-CZ2 3.47Å; C299-W302 HydrophobicContact CB-CZ2 3.92Å; C299-W302 PolarHBondContact O-N 2.72Å; C299-W302 VanDerWaalsContact SG-CZ2 3.59Å; L300-W302 VanDerWaalsContact C-N 3.31Å; L300-W302 PolarHBondContact O-N 2.57Å; W302-A309 WeakPolarHBondContact CA-O 3.36Å; W302-A309 WeakPolarHBondContact CB-O 3.37Å; W302-M311 HydrophobicContact CB-CB 4.16Å; W302-M311 HydrophobicContact CD2-CB 4.17Å; W302-M311 HydrophobicContact CD2-CG 3.84Å; W302-M311 HydrophobicContact CE3-CG 4.3Å; W302-M311 HydrophobicContact CG-CB 3.89Å; W302-M311 HydrophobicContact CG-CG 4.07Å; W302-M311 HydrophobicContact CZ2-CG 4.18Å; W302-M311 HydrophobicContact CZ2-SD 4.3Å; W302-V314 HydrophobicContact CE3-CB 3.78Å; W302-V314 HydrophobicContact CE3-CG1 3.69Å; W302-V314 HydrophobicContact CE3-CG2 4.11Å; W302-V314 HydrophobicContact CZ3-CB 4.16Å; W302-V314 HydrophobicContact CZ3-CG1 3.67Å; W302-L315 HydrophobicContact CH2-CD2 4.3Å; W302-L315 HydrophobicContact CZ3-CD2 4.37Å; W302-F382 HydrophobicContact CZ3-CZ 4.37Å
303K78.7Confident77.9Confident24 Ų2432.7 Ų32.710%0.10420%0.201CC..Hα-helixtrans-90.6-21.7171.4-71.5-168.1178.5-168.50113.9L8 S43 E296 C299 L300 S305L8-K303 HydrophobicContact CD1-CG 4.27Å; S43-K303 WeakPolarHBondContact OG-CE 3.29Å; S43-K303 PolarHBondContact OG-NZ 3.1Å; E296-K303 IonicContact OE2-NZ 3.39Å; C299-K303 HydrophobicContact CB-CD 3.84Å; C299-K303 HydrophobicContact CB-CG 4.16Å; C299-K303 WeakPolarHBondContact O-CB 3.49Å; C299-K303 WeakPolarHBondContact O-CG 3.37Å; C299-K303 PolarHBondContact O-N 3.44Å; C299-K303 VanDerWaalsContact O-N 3.09Å; L300-K303 PolarHBondContact O-N 2.86Å; K303-S305 PolarHBondContact O-N 3.19Å; K303-S305 VanDerWaalsContact O-N 3.07Å
304C67.6Low77.6Confident46 Ų4632.7 Ų32.731%0.31120%0.201SC..  trans-73.899.4174.8-85.30000111L300 N306 G308L300-C304 WeakPolarHBondContact CD1-SG 3.19Å; L300-C304 WeakPolarHBondContact O-CB 3.5Å; L300-C304 PolarHBondContact O-N 3.4Å; C304-N306 VanDerWaalsContact C-N 3.31Å; C304-N306 PolarHBondContact O-N 2.9Å; C304-N306 VanDerWaalsContact O-N 3.17Å; C304-G308 WeakPolarHBondContact O-CA 3.34Å; C304-G308 PolarHBondContact O-N 3.39Å
305S54.2Low77.5Confident80 Ų8032.7 Ų32.756%0.55920%0.201SC*.THydrogen-bonded Turntrans-53.7-31.6-172.7510000116.6K303 V307K303-S305 PolarHBondContact O-N 3.19Å; K303-S305 VanDerWaalsContact O-N 3.07Å; S305-V307 PolarHBondContact O-N 3.23Å
306N51.1Low77.1Confident145 Ų14534.6 Ų34.678%0.77521%0.211SC*.THydrogen-bonded Turntrans-76.9-22.1-160.6-68-1.4000114.4C304C304-N306 VanDerWaalsContact C-N 3.31Å; C304-N306 PolarHBondContact O-N 2.9Å; C304-N306 VanDerWaalsContact O-N 3.17Å
307V52Low76.6Confident143 Ų14336.2 Ų36.287%0.86722%0.22SC*.THydrogen-bonded Turntrans-147.918.9173.6-163.20000110.5S305 A309S305-V307 PolarHBondContact O-N 3.23Å; V307-A309 PolarHBondContact O-N 3.22Å; V307-A309 VanDerWaalsContact O-N 3.13Å
308G60.5Low76.2Confident28 Ų2836.3 Ų36.329%0.28922%0.22SC..PPolyproline II helixtrans-56.8117.9-163.200000113.4C304C304-G308 WeakPolarHBondContact O-CA 3.34Å; C304-G308 PolarHBondContact O-N 3.39Å
309A73.8Confident75.9Confident34 Ų3436 Ų3628%0.28122%0.218SC..PPolyproline II helixtrans-55.7144.6163.200000108.5W302 V307 D313 V314W302-A309 WeakPolarHBondContact CA-O 3.36Å; W302-A309 WeakPolarHBondContact CB-O 3.37Å; V307-A309 PolarHBondContact O-N 3.22Å; V307-A309 VanDerWaalsContact O-N 3.13Å; A309-D313 HydrophobicContact CB-CB 4.05Å; A309-V314 HydrophobicContact CB-CG2 3.6Å
310S83.6Confident75.1Confident11 Ų1140.2 Ų40.28%0.07724%0.241CC..PPolyproline II helixtrans-60.8156.8173.668.90000110S312 D313 V314S310-S312 PolarHBondContact O-N 3.12Å; S310-S312 PolarHBondContact OG-N 3.27Å; S310-D313 VanDerWaalsContact CB-OD2 3.27Å; S310-D313 WeakPolarHBondContact CB-OD2 3.29Å; S310-D313 PolarHBondContact N-OD2 2.93Å; S310-D313 PolarHBondContact O-N 3.08Å; S310-D313 PolarHBondContact OG-N 2.92Å; S310-D313 PolarHBondContact OG-OD1 2.62Å; S310-D313 PolarHBondContact OG-OD2 3.05Å; S310-V314 WeakPolarHBondContact O-CG2 3.32Å; S310-V314 PolarHBondContact O-N 2.91Å; S310-V314 VanDerWaalsContact O-N 3.11Å
311M88.7Confident74.3Confident4 Ų444.8 Ų44.82%0.0227%0.272CS..Hα-helixtrans-53.9-39.5170.9-169.6177.486.600110.4L8 G186 H188 P216 L218 W302 D313 V314 L315L8-M311 HydrophobicContact CD2-SD 4.34Å; G186-M311 VanDerWaalsContact CA-CE 3.5Å; H188-M311 PolarHBondContact CD2-SD 3.28Å; H188-M311 PolarHBondContact NE2-SD 3.19Å; P216-M311 HydrophobicContact CB-CE 4.02Å; P216-M311 HydrophobicContact CG-CE 3.92Å; P216-M311 WeakPolarHBondContact O-CE 3.4Å; L218-M311 HydrophobicContact CB-CE 4.38Å; W302-M311 HydrophobicContact CB-CB 4.16Å; W302-M311 HydrophobicContact CD2-CB 4.17Å; W302-M311 HydrophobicContact CD2-CG 3.84Å; W302-M311 HydrophobicContact CE3-CG 4.3Å; W302-M311 HydrophobicContact CG-CB 3.89Å; W302-M311 HydrophobicContact CG-CG 4.07Å; W302-M311 HydrophobicContact CZ2-CG 4.18Å; W302-M311 HydrophobicContact CZ2-SD 4.3Å; M311-D313 PolarHBondContact O-N 3.36Å; M311-V314 PolarHBondContact O-N 3.34Å; M311-L315 HydrophobicContact CE-CD1 3.91Å; M311-L315 HydrophobicContact CG-CD1 3.73Å; M311-L315 HydrophobicContact CG-CG 4.05Å; M311-L315 WeakPolarHBondContact O-CB 3.25Å; M311-L315 WeakPolarHBondContact O-CG 3.28Å; M311-L315 PolarHBondContact O-N 2.77Å; M311-L315 HydrophobicContact SD-CD1 4.3Å
312S87.9Confident73.6Confident36 Ų3652 Ų5225%0.25230%0.299SS..Hα-helixtrans-57.3-48.2174.6-160.90000112.6S310 V314 L315 N316S310-S312 PolarHBondContact O-N 3.12Å; S310-S312 PolarHBondContact OG-N 3.27Å; S312-V314 VanDerWaalsContact C-N 3.3Å; S312-V314 PolarHBondContact O-N 3.26Å; S312-L315 PolarHBondContact O-N 2.93Å; S312-N316 VanDerWaalsContact O-CB 3.22Å; S312-N316 WeakPolarHBondContact O-CB 3.41Å; S312-N316 VanDerWaalsContact O-CG 3.24Å; S312-N316 PolarHBondContact O-N 3.19Å; S312-N316 PolarHBondContact O-ND2 3.17Å; S312-N316 PolarHBondContact OG-ND2 2.96Å
313D84.6Confident72.8Confident83 Ų8355.1 Ų55.144%0.44432%0.324SS..Hα-helixtrans-60.2-44-177.9-59.6-41000110.6A309 S310 M311 I317A309-D313 HydrophobicContact CB-CB 4.05Å; S310-D313 VanDerWaalsContact CB-OD2 3.27Å; S310-D313 WeakPolarHBondContact CB-OD2 3.29Å; S310-D313 PolarHBondContact N-OD2 2.93Å; S310-D313 PolarHBondContact O-N 3.08Å; S310-D313 PolarHBondContact OG-N 2.92Å; S310-D313 PolarHBondContact OG-OD1 2.62Å; S310-D313 PolarHBondContact OG-OD2 3.05Å; M311-D313 PolarHBondContact O-N 3.36Å; D313-I317 WeakPolarHBondContact O-CG1 3.25Å; D313-I317 PolarHBondContact O-N 3.48Å
314V81.7Confident72.3Confident0 Ų054.4 Ų54.40%032%0.324CS..Hα-helixtrans-69.9-43.8-178.1-179.30000111.3P301 W302 A309 S310 M311 S312 I317 F382P301-V314 HydrophobicContact CB-CB 4.39Å; P301-V314 HydrophobicContact CB-CG1 3.86Å; P301-V314 HydrophobicContact CB-CG2 3.66Å; P301-V314 HydrophobicContact CG-CG1 4.08Å; W302-V314 HydrophobicContact CE3-CB 3.78Å; W302-V314 HydrophobicContact CE3-CG1 3.69Å; W302-V314 HydrophobicContact CE3-CG2 4.11Å; W302-V314 HydrophobicContact CZ3-CB 4.16Å; W302-V314 HydrophobicContact CZ3-CG1 3.67Å; A309-V314 HydrophobicContact CB-CG2 3.6Å; S310-V314 WeakPolarHBondContact O-CG2 3.32Å; S310-V314 PolarHBondContact O-N 2.91Å; S310-V314 VanDerWaalsContact O-N 3.11Å; M311-V314 PolarHBondContact O-N 3.34Å; S312-V314 VanDerWaalsContact C-N 3.3Å; S312-V314 PolarHBondContact O-N 3.26Å; V314-I317 WeakPolarHBondContact O-CB 3.36Å; V314-I317 PolarHBondContact O-N 2.79Å; V314-F382 HydrophobicContact CG1-CD1 4.15Å; V314-F382 HydrophobicContact CG1-CE1 3.65Å; V314-F382 HydrophobicContact CG1-CE2 4.38Å; V314-F382 HydrophobicContact CG1-CZ 3.79Å
315L85.7Confident72.8Confident0 Ų053.6 Ų53.60%032%0.316CS..Hα-helixtrans-67.2-38.1178.6-65.1-179.3000111.4L218 L253 L254 W302 M311 S312 I317 V318 A319L218-L315 HydrophobicContact CB-CD1 4.04Å; L218-L315 HydrophobicContact CD1-CD2 3.95Å; L218-L315 HydrophobicContact CD2-CD2 4.43Å; L253-L315 HydrophobicContact CD2-CB 3.76Å; L253-L315 HydrophobicContact CD2-CD1 4.2Å; L253-L315 HydrophobicContact CG-CB 4.28Å; L254-L315 HydrophobicContact CB-CD2 4.26Å; L254-L315 HydrophobicContact CD2-CD2 3.74Å; W302-L315 HydrophobicContact CH2-CD2 4.3Å; W302-L315 HydrophobicContact CZ3-CD2 4.37Å; M311-L315 HydrophobicContact CE-CD1 3.91Å; M311-L315 HydrophobicContact CG-CD1 3.73Å; M311-L315 HydrophobicContact CG-CG 4.05Å; M311-L315 WeakPolarHBondContact O-CB 3.25Å; M311-L315 WeakPolarHBondContact O-CG 3.28Å; M311-L315 PolarHBondContact O-N 2.77Å; M311-L315 HydrophobicContact SD-CD1 4.3Å; S312-L315 PolarHBondContact O-N 2.93Å; L315-I317 VanDerWaalsContact C-N 3.26Å; L315-I317 PolarHBondContact O-N 2.91Å; L315-V318 PolarHBondContact O-N 2.9Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.14Å
316N83.1Confident74Confident41 Ų4150.7 Ų50.722%0.21929%0.294CS..Hα-helixtrans-66.2-24.9177.6-79.6-36.5000113.7S312 V318 N320S312-N316 VanDerWaalsContact O-CB 3.22Å; S312-N316 WeakPolarHBondContact O-CB 3.41Å; S312-N316 VanDerWaalsContact O-CG 3.24Å; S312-N316 PolarHBondContact O-N 3.19Å; S312-N316 PolarHBondContact O-ND2 3.17Å; S312-N316 PolarHBondContact OG-ND2 2.96Å; N316-V318 PolarHBondContact O-N 3.27Å; N316-N320 PolarHBondContact O-N 3.49Å; N316-N320 VanDerWaalsContact O-N 3.16Å
317I76.1Confident75.4Confident45 Ų4543.8 Ų43.823%0.23126%0.257CS..Hα-helixtrans-59.3-37.9170.7-69.8164.4000110.6D313 V314 L315 Q380 K418D313-I317 WeakPolarHBondContact O-CG1 3.25Å; D313-I317 PolarHBondContact O-N 3.48Å; V314-I317 WeakPolarHBondContact O-CB 3.36Å; V314-I317 PolarHBondContact O-N 2.79Å; L315-I317 VanDerWaalsContact C-N 3.26Å; L315-I317 PolarHBondContact O-N 2.91Å; I317-Q380 WeakPolarHBondContact O-CB 3.44Å; I317-K418 HydrophobicContact CD1-CD 4.16Å; I317-K418 HydrophobicContact CG2-CD 4.02Å; I317-K418 VanDerWaalsContact CG2-NZ 3.35Å
318V75.3Confident76.8Confident1 Ų137 Ų371%0.00622%0.216CC..Hα-helixtrans-87.2-43.3-179.8-174.80000111.1L254 L315 N316 N320 A327 F382 L474L254-V318 HydrophobicContact CD1-CG1 4.29Å; L254-V318 HydrophobicContact CD2-CB 4.19Å; L254-V318 HydrophobicContact CD2-CG1 4.18Å; L315-V318 PolarHBondContact O-N 2.9Å; N316-V318 PolarHBondContact O-N 3.27Å; V318-N320 PolarHBondContact O-N 3.45Å; V318-A327 HydrophobicContact CG1-CB 4.09Å; V318-F382 HydrophobicContact CG2-CD1 3.67Å; V318-F382 HydrophobicContact CG2-CE1 3.59Å; V318-L474 HydrophobicContact CG2-CB 4.25Å; V318-L474 HydrophobicContact CG2-CD1 4.32Å
319A76.7Confident77.9Confident0 Ų035.8 Ų35.80%020%0.203CC..Hα-helixtrans-80.30.9-171.900000114.2L253 L254 L315 C321 R322 E325L253-A319 HydrophobicContact CD1-CB 4.5Å; L254-A319 HydrophobicContact CD1-CB 4.17Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.14Å; A319-C321 PolarHBondContact O-N 3.14Å; A319-R322 PolarHBondContact O-N 2.92Å; A319-E325 VanDerWaalsContact C-CD 3.49Å; A319-E325 WeakPolarHBondContact CA-OE2 3.32Å; A319-E325 HydrophobicContact CB-CB 4.24Å; A319-E325 HydrophobicContact CB-CG 4.4Å
320N70.9Confident78.2Confident89 Ų8935 Ų3548%0.47619%0.194SC..THydrogen-bonded Turntrans45.638.3-175.2-161.823.1000113.9N316 V318 R322N316-N320 PolarHBondContact O-N 3.49Å; N316-N320 VanDerWaalsContact O-N 3.16Å; V318-N320 PolarHBondContact O-N 3.45Å; N320-R322 VanDerWaalsContact C-N 3.25Å; N320-R322 PolarHBondContact O-N 2.89Å
321C63.5Low78Confident103 Ų10334.5 Ų34.570%0.69619%0.191SC*.THydrogen-bonded Turntrans59.322.9-175.3-56.10000115.9A319A319-C321 PolarHBondContact O-N 3.14Å
322R65.7Low77.2Confident156 Ų15634.7 Ų34.759%0.58919%0.191SC*.  trans-107.4138.9174-62.5178.6179.6-168.90.1110.1A319 N320 E325A319-R322 PolarHBondContact O-N 2.92Å; N320-R322 VanDerWaalsContact C-N 3.25Å; N320-R322 PolarHBondContact O-N 2.89Å; R322-E325 HydrophobicContact CB-CG 3.99Å; R322-E325 WeakPolarHBondContact CD-OE1 3.3Å
323S68.2Low76.1Confident88 Ų8833.6 Ų33.662%0.61518%0.182SC*.THydrogen-bonded Turntrans-77.5151.4171.358.70000111.1
324G67.1Low74.9Confident10 Ų1030.9 Ų30.910%0.10317%0.169CC..THydrogen-bonded Turntrans79.814.4174.500000115.6K249 C252 L253K249-G324 WeakPolarHBondContact O-CA 3.26Å; C252-G324 WeakPolarHBondContact O-CA 3.48Å; C252-G324 PolarHBondContact O-N 3.13Å; L253-G324 PolarHBondContact O-N 2.83Å
325E78.2Confident73.6Confident28 Ų2831.9 Ų31.913%0.13118%0.175CC..EExtended strand (participates in β ladder)trans-71.4150.7176.9-65.6-151.4161.700111.5L254 T255 A319 R322L254-E325 HydrophobicContact CD1-CB 3.97Å; L254-E325 WeakPolarHBondContact CD1-O 3.19Å; T255-E325 PolarHBondContact N-O 3.38Å; A319-E325 VanDerWaalsContact C-CD 3.49Å; A319-E325 WeakPolarHBondContact CA-OE2 3.32Å; A319-E325 HydrophobicContact CB-CB 4.24Å; A319-E325 HydrophobicContact CB-CG 4.4Å; R322-E325 HydrophobicContact CB-CG 3.99Å; R322-E325 WeakPolarHBondContact CD-OE1 3.3Å
326L80.6Confident71.9Confident19 Ų1933.7 Ų33.710%0.09919%0.187CC..EExtended strand (participates in β ladder)trans-106.3123.7179.7178.160.8000109.2T255 P257 L369 V480T255-L326 HydrophobicContact CG2-CD1 4.47Å; T255-L326 CarbonylContact O-C 3.24Å; T255-L326 WeakPolarHBondContact O-CA 3.28Å; T255-L326 WeakPolarHBondContact O-CD1 3.28Å; P257-L326 HydrophobicContact CG-CD1 3.43Å; P257-L326 VanDerWaalsContact CG-CD1 3.43Å; L326-L369 HydrophobicContact CD2-CD1 4.07Å; L326-L369 HydrophobicContact CD2-CD2 3.75Å; L326-L369 HydrophobicContact CG-CD1 4.35Å; L326-L369 HydrophobicContact CG-CD2 4.5Å; L326-V480 HydrophobicContact CD2-CG2 4.16Å
327A80.5Confident70.2Confident0 Ų033.2 Ų33.20%018%0.184CC..EExtended strand (participates in β ladder)trans-111.3148.8175.200000111.5L254 T255 V318 L474L254-A327 HydrophobicContact CD1-CB 3.8Å; L254-A327 HydrophobicContact CD2-CB 3.88Å; L254-A327 HydrophobicContact CG-CB 3.99Å; T255-A327 PolarHBondContact O-N 2.8Å; V318-A327 HydrophobicContact CG1-CB 4.09Å; A327-L474 HydrophobicContact CB-CD2 4.23Å
328S80.9Confident68.6Low2 Ų234.9 Ų34.91%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-98.7140.8170.494.40000110.3N330 T363 L474 S475S328-N330 PolarHBondContact OG-ND2 2.77Å; S328-T363 WeakPolarHBondContact CA-OG1 3.4Å; S328-L474 WeakPolarHBondContact O-CA 3.42Å; S328-L474 VanDerWaalsContact O-CD2 3.3Å; S328-L474 WeakPolarHBondContact O-CD2 3.37Å; S328-S475 PolarHBondContact N-O 3.48Å; S328-S475 PolarHBondContact O-N 3.17Å; S328-S475 PolarHBondContact OG-OG 3.24Å
329L83.2Confident67Low2 Ų238.1 Ų38.11%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-107.2125.1175.2-175.766.1000110.2T256 L258 V298 S361 L362 T363 L472 L474T256-L329 HydrophobicContact CG2-CB 3.75Å; L258-L329 HydrophobicContact CD2-CB 4.29Å; L258-L329 HydrophobicContact CD2-CD2 3.56Å; V298-L329 HydrophobicContact CB-CD1 4.17Å; V298-L329 HydrophobicContact CG2-CD1 4.14Å; L329-S361 CarbonylContact O-C 3.51Å; L329-S361 WeakPolarHBondContact O-CA 3.34Å; L329-S361 PolarHBondContact O-OG 3.39Å; L329-L362 HydrophobicContact CB-CB 4.43Å; L329-L362 HydrophobicContact CD2-CB 4.42Å; L329-L362 HydrophobicContact CD2-CD1 3.94Å; L329-L362 HydrophobicContact CG-CD1 4.38Å; L329-L362 PolarHBondContact O-N 3.36Å; L329-T363 PolarHBondContact N-OG1 2.83Å; L329-L472 HydrophobicContact CD1-CB 4.23Å; L329-L472 HydrophobicContact CD1-CD1 4.3Å; L329-L472 HydrophobicContact CD1-CD2 3.76Å; L329-L472 HydrophobicContact CD1-CG 4.36Å; L329-L472 HydrophobicContact CD2-CD2 4.46Å; L329-L472 HydrophobicContact CG-CD2 3.94Å; L329-L474 HydrophobicContact CB-CD2 4.02Å; L329-L474 HydrophobicContact CD1-CD2 3.62Å; L329-L474 HydrophobicContact CD1-CG 4.33Å; L329-L474 HydrophobicContact CG-CD2 4.44Å
330N80.5Confident65.2Low18 Ų1844 Ų4410%0.09624%0.236CC..EExtended strand (participates in β ladder)trans-119.2118.2-177.5-62.5-56.5000112.3S328 S361 K471 L472 T473S328-N330 PolarHBondContact OG-ND2 2.77Å; N330-S361 VanDerWaalsContact OD1-CA 3.22Å; N330-S361 WeakPolarHBondContact OD1-CA 3.18Å; N330-S361 WeakPolarHBondContact OD1-CB 3.49Å; N330-S361 PolarHBondContact OD1-OG 2.98Å; N330-K471 VanDerWaalsContact O-O 3.06Å; N330-L472 WeakPolarHBondContact O-CA 3.17Å; N330-L472 WeakPolarHBondContact O-CD2 2.94Å; N330-T473 PolarHBondContact N-O 2.76Å; N330-T473 PolarHBondContact ND2-O 3.33Å; N330-T473 PolarHBondContact O-N 3.31Å; N330-T473 VanDerWaalsContact O-N 3.13Å
331L79.2Confident63.7Low0 Ų047.2 Ų47.20%025%0.248CC..EExtended strand (participates in β ladder)trans-105.1123.9-174.2-179.169.9000112.9F274 I290 V293 Y333 Q360 L362 L470 L472F274-L331 HydrophobicContact CE1-CB 4.49Å; F274-L331 HydrophobicContact CE1-CD2 3.99Å; F274-L331 HydrophobicContact CE1-CG 4.3Å; F274-L331 HydrophobicContact CZ-CD2 4.19Å; I290-L331 HydrophobicContact CG2-CD2 3.65Å; V293-L331 HydrophobicContact CG1-CD1 4.05Å; V293-L331 HydrophobicContact CG1-CD2 4.39Å; L331-Y333 HydrophobicContact CD2-CD1 4.44Å; L331-Q360 PolarHBondContact N-O 3.18Å; L331-Q360 PolarHBondContact O-N 3Å; L331-L362 HydrophobicContact CB-CD1 3.81Å; L331-L362 HydrophobicContact CB-CD2 3.88Å; L331-L362 HydrophobicContact CB-CG 3.72Å; L331-L362 HydrophobicContact CD2-CD1 3.96Å; L331-L362 HydrophobicContact CD2-CD2 4Å; L331-L362 HydrophobicContact CD2-CG 4.39Å; L331-L362 HydrophobicContact CG-CD1 4.4Å; L331-L470 HydrophobicContact CD1-CD2 3.26Å; L331-L470 HydrophobicContact CD1-CG 3.86Å; L331-L472 HydrophobicContact CB-CD2 3.7Å; L331-L472 HydrophobicContact CD1-CD2 3.54Å; L331-L472 HydrophobicContact CD1-CG 4.04Å; L331-L472 HydrophobicContact CG-CD2 4.24Å
332I70.8Confident62.6Low7 Ų750.3 Ų50.34%0.03625%0.246CC..  trans-99.396.6161.5-58.6-170.8000107.5T335 L358 V412 L470 K471I332-T335 HydrophobicContact CG2-CG2 3.56Å; I332-L358 HydrophobicContact CD1-CB 4.34Å; I332-V412 HydrophobicContact CD1-CG1 4.04Å; I332-L470 WeakPolarHBondContact O-CA 3.43Å; I332-K471 HydrophobicContact CB-CB 4.02Å; I332-K471 HydrophobicContact CD1-CB 3.5Å; I332-K471 HydrophobicContact CD1-CD 3.51Å; I332-K471 HydrophobicContact CD1-CG 4.05Å; I332-K471 HydrophobicContact CG1-CB 3.73Å; I332-K471 HydrophobicContact CG1-CD 4.23Å; I332-K471 HydrophobicContact CG1-CG 4.4Å; I332-K471 PolarHBondContact N-O 3.38Å
333Y65Low61.3Low14 Ų1444.1 Ų44.16%0.05523%0.226CC..  trans-153.5140177.5173.7-107.9000114F274 L277 V293 L331 T428 F432 L470F274-Y333 WeakPolarHBondContact CD1-O 3.46Å; L277-Y333 HydrophobicContact CD1-CD1 3.82Å; L277-Y333 HydrophobicContact CD1-CE1 4.05Å; L277-Y333 HydrophobicContact CD2-CD1 4.36Å; L277-Y333 HydrophobicContact CD2-CE1 3.95Å; V293-Y333 HydrophobicContact CG1-CD1 4.1Å; V293-Y333 HydrophobicContact CG1-CD2 4.33Å; V293-Y333 HydrophobicContact CG1-CE1 4.41Å; V293-Y333 HydrophobicContact CG1-CG 4.05Å; V293-Y333 HydrophobicContact CG2-CE1 4.3Å; L331-Y333 HydrophobicContact CD2-CD1 4.44Å; Y333-T428 WeakPolarHBondContact OH-CG2 3.25Å; Y333-F432 HydrophobicContact CE1-CZ 4.43Å; Y333-L470 HydrophobicContact CD2-CD1 3.31Å; Y333-L470 HydrophobicContact CD2-CG 4.31Å; Y333-L470 HydrophobicContact CE2-CD1 4.06Å; Y333-L470 HydrophobicContact CG-CD1 3.95Å
334P60.4Low59.9Low25 Ų2543.4 Ų43.416%0.16222%0.219CC..SBendcis-76.4150.6-21.834-32.4000108.2H276 L277 L436H276-P334 HydrophobicContact CB-CG 3.46Å; H276-P334 VanDerWaalsContact CB-CG 3.46Å; H276-P334 PolarHBondContact CD2-O 3.29Å; L277-P334 VanDerWaalsContact CD2-CD 3.42Å; L277-P334 HydrophobicContact CD2-CG 4.01Å; L277-P334 VanDerWaalsContact CG-CD 3.46Å; L277-P334 HydrophobicContact CG-CG 4.49Å; P334-L436 HydrophobicContact CB-CD2 4.27Å; P334-L436 HydrophobicContact CG-CD2 3.83Å
335T54.8Low58.7Low22 Ų2248.6 Ų48.614%0.13525%0.251CS..EExtended strand (participates in β ladder)trans-133.3149.5168.1-158.20000110.5I332 F469I332-T335 HydrophobicContact CG2-CG2 3.56Å; T335-F469 HydrophobicContact CG2-CB 3.42Å; T335-F469 VanDerWaalsContact CG2-CB 3.42Å; T335-F469 WeakPolarHBondContact CG2-O 3.26Å; T335-F469 PolarHBondContact O-N 3.1Å
336C49.7Very low56.8Low37 Ų3753.2 Ų53.225%0.2528%0.277CS..EExtended strand (participates in β ladder)trans-114.1120.1176.9-56.90000107.9Y338 I449C336-Y338 HydrophobicContact CB-CE2 4.42Å; C336-I449 HydrophobicContact CB-CD1 4.4Å; C336-I449 VanDerWaalsContact SG-CD1 3.6Å
337I47.1Very low54.7Low31 Ų3155 Ų5516%0.15928%0.284CS..  trans-100.4115.3168.3-57.2-175000107L408 L409 L467 F469I337-L408 HydrophobicContact CD1-CD2 4.36Å; I337-L408 HydrophobicContact CG2-CD2 3.98Å; I337-L409 HydrophobicContact CD1-CD2 4.34Å; I337-L467 WeakPolarHBondContact O-CD1 3.37Å; I337-F469 HydrophobicContact CB-CD2 3.52Å; I337-F469 HydrophobicContact CB-CE2 3.49Å; I337-F469 VanDerWaalsContact CB-CE2 3.49Å; I337-F469 HydrophobicContact CD1-CB 4.04Å; I337-F469 HydrophobicContact CD1-CD1 3.82Å; I337-F469 HydrophobicContact CD1-CD2 3.28Å; I337-F469 HydrophobicContact CD1-CE1 4.09Å; I337-F469 HydrophobicContact CD1-CE2 3.49Å; I337-F469 VanDerWaalsContact CD1-CE2 3.49Å; I337-F469 HydrophobicContact CD1-CG 3.43Å; I337-F469 VanDerWaalsContact CD1-CG 3.43Å; I337-F469 HydrophobicContact CD1-CZ 3.92Å; I337-F469 HydrophobicContact CG1-CB 4.19Å; I337-F469 HydrophobicContact CG1-CD2 3.27Å; I337-F469 HydrophobicContact CG1-CE2 3.68Å; I337-F469 HydrophobicContact CG1-CG 3.81Å; I337-F469 HydrophobicContact CG2-CE2 4.24Å
338Y42.3Very low52.7Low81 Ų8158.3 Ų58.332%0.31831%0.306SS..  trans-79.6134.2171.1-65-81.5000109.2C336 H340 F347C336-Y338 HydrophobicContact CB-CE2 4.42Å; Y338-H340 PolarHBondContact O-N 2.81Å; Y338-F347 HydrophobicContact CD2-CE1 4.1Å; Y338-F347 HydrophobicContact CD2-CE2 4.3Å; Y338-F347 AromaticContact CD2-CZ 3.85Å; Y338-F347 HydrophobicContact CD2-CZ 3.85Å; Y338-F347 HydrophobicContact CE2-CE2 4.13Å; Y338-F347 AromaticContact CE2-CZ 3.91Å; Y338-F347 HydrophobicContact CE2-CZ 3.91Å
339P41.5Very low50.6Low68 Ų6864.1 Ų64.144%0.44234%0.338SS..  trans-58.1133.1164.1-9.720.2000108.5E341 R342P339-E341 PolarHBondContact O-N 2.71Å; P339-R342 PolarHBondContact O-N 2.84Å
340H39.1Very low48.4Very low123 Ų12372.8 Ų72.857%0.56937%0.37SS*.THydrogen-bonded Turntrans-52.5-20.9-167.1-138.4-68.9000115.4Y338Y338-H340 PolarHBondContact O-N 2.81Å
341E39.9Very low46.3Very low158 Ų15876 Ų7674%0.73839%0.39SS*.THydrogen-bonded Turntrans-86.9-18179.6-72173.6-154.900114.5P339 Q401P339-E341 PolarHBondContact O-N 2.71Å; E341-Q401 VanDerWaalsContact CD-NE2 3.33Å; E341-Q401 PolarHBondContact OE1-NE2 2.74Å; E341-Q401 PolarHBondContact OE2-NE2 2.83Å
342R40.2Very low44.5Very low168 Ų16885.8 Ų85.863%0.63443%0.427SS*.THydrogen-bonded Turntrans-98.2-0.2168.7-71.8-167.4-171.1168.17.2113P339 P344 E465P339-R342 PolarHBondContact O-N 2.84Å; R342-P344 VanDerWaalsContact O-CD 3.31Å; R342-P344 WeakPolarHBondContact O-CD 3.34Å; R342-E465 IonicContact CZ-OE2 3.77Å; R342-E465 IonicContact NH1-OE1 3.71Å; R342-E465 IonicContact NH1-OE2 2.72Å; R342-E465 PolarHBondContact NH1-OE2 2.72Å; R342-E465 IonicContact NH2-OE1 3.72Å; R342-E465 IonicContact NH2-OE2 3.97Å
343C38Very low43.2Very low25 Ų2589.5 Ų89.517%0.16945%0.447CS..SBendtrans-62.2120.1168.2-81.50000108.2F347C343-F347 HydrophobicContact CB-CB 3.93Å
344P39.4Very low42.4Very low73 Ų7392.2 Ų92.247%0.47447%0.465SS..  trans-53.8147.1169.318.5-26.6000108.5R342 N346 F347R342-P344 VanDerWaalsContact O-CD 3.31Å; R342-P344 WeakPolarHBondContact O-CD 3.34Å; P344-N346 PolarHBondContact O-N 2.92Å; P344-F347 HydrophobicContact CG-CB 4.12Å; P344-F347 HydrophobicContact CG-CD2 4.23Å; P344-F347 VanDerWaalsContact O-CB 3.26Å; P344-F347 WeakPolarHBondContact O-CB 3.38Å; P344-F347 PolarHBondContact O-N 2.98Å
345P41.2Very low41.9Very low119 Ų11996 Ų9677%0.77348%0.48SS*.THydrogen-bonded Turntrans-55-19.5-174.917.3-30000113.9
346N39Very low41.9Very low126 Ų12699 Ų9967%0.67450%0.503SS*.THydrogen-bonded Turntrans-87.42.9175.5-64.7-10.2000114.5P344P344-N346 PolarHBondContact O-N 2.92Å
347F37.1Very low42.2Very low56 Ų56102.4 Ų102.425%0.24652%0.515CS..Hα-helixtrans-87.3-29.5-175.8-150.9-91.2000113.2Y338 C343 P344 D349 R350 T351Y338-F347 HydrophobicContact CD2-CE1 4.1Å; Y338-F347 HydrophobicContact CD2-CE2 4.3Å; Y338-F347 AromaticContact CD2-CZ 3.85Å; Y338-F347 HydrophobicContact CD2-CZ 3.85Å; Y338-F347 HydrophobicContact CE2-CE2 4.13Å; Y338-F347 AromaticContact CE2-CZ 3.91Å; Y338-F347 HydrophobicContact CE2-CZ 3.91Å; C343-F347 HydrophobicContact CB-CB 3.93Å; P344-F347 HydrophobicContact CG-CB 4.12Å; P344-F347 HydrophobicContact CG-CD2 4.23Å; P344-F347 VanDerWaalsContact O-CB 3.26Å; P344-F347 WeakPolarHBondContact O-CB 3.38Å; P344-F347 PolarHBondContact O-N 2.98Å; F347-D349 PolarHBondContact O-N 2.71Å; F347-R350 CarbonylContact O-C 3.44Å; F347-R350 WeakPolarHBondContact O-CA 3.13Å; F347-R350 PolarHBondContact O-N 2.91Å; F347-T351 HydrophobicContact CD1-CG2 3.78Å; F347-T351 HydrophobicContact CE1-CG2 3.9Å; F347-T351 PolarHBondContact O-N 3.2Å
348S36.5Very low42.7Very low69 Ų69103 Ų10348%0.48352%0.518SS..Hα-helixtrans-56.3-38.3172.245.70000111.2R350 T351S348-R350 VanDerWaalsContact C-N 3.31Å; S348-R350 PolarHBondContact O-N 3.22Å; S348-T351 PolarHBondContact O-N 3.01Å; S348-T351 PolarHBondContact O-OG1 3.17Å
349D38.4Very low44.1Very low125 Ų125100 Ų10067%0.66851%0.509SS*.Hα-helixtrans-68.6-27.3172.4-93.6-19.3000113.4F347F347-D349 PolarHBondContact O-N 2.71Å
350R35.5Very low45.9Very low184 Ų18498.3 Ų98.369%0.69450%0.495SS*.Hα-helixtrans-82.8-15.5174.4-69.5-169.5173.9-158.7-0.6114.1F347 S348 R352F347-R350 CarbonylContact O-C 3.44Å; F347-R350 WeakPolarHBondContact O-CA 3.13Å; F347-R350 PolarHBondContact O-N 2.91Å; S348-R350 VanDerWaalsContact C-N 3.31Å; S348-R350 PolarHBondContact O-N 3.22Å; R350-R352 PolarHBondContact O-N 2.99Å
351T37.8Very low47.9Very low84 Ų8493 Ų9352%0.51547%0.472SS..THydrogen-bonded Turntrans-74.24.5176.650.40000114.9F347 S348 L353F347-T351 HydrophobicContact CD1-CG2 3.78Å; F347-T351 HydrophobicContact CE1-CG2 3.9Å; F347-T351 PolarHBondContact O-N 3.2Å; S348-T351 PolarHBondContact O-N 3.01Å; S348-T351 PolarHBondContact O-OG1 3.17Å; T351-L353 PolarHBondContact O-N 3.37Å
352R40.7Very low50.2Low207 Ų20785.5 Ų85.578%0.78144%0.437SS*.  trans-77.441.1161.2-60-166.9-157.1-159.16.3112R350 T354R350-R352 PolarHBondContact O-N 2.99Å; R352-T354 PolarHBondContact O-N 3.11Å; R352-T354 VanDerWaalsContact O-N 3.14Å
353L43.9Very low52.4Low85 Ų8577.5 Ų77.545%0.44541%0.406SS..  trans-66.7114.2161.5-71.2167.3000106T351 Q357 L358T351-L353 PolarHBondContact O-N 3.37Å; L353-Q357 HydrophobicContact CD2-CB 4.22Å; L353-L358 HydrophobicContact CB-CD1 3.97Å; L353-L358 HydrophobicContact CB-CD2 4.03Å; L353-L358 HydrophobicContact CB-CG 3.76Å; L353-L358 HydrophobicContact CD1-CD2 3.61Å; L353-L358 HydrophobicContact CD1-CG 4.3Å; L353-L358 HydrophobicContact CG-CD2 4.43Å
354T47.2Very low54.4Low71 Ų7176.5 Ų76.544%0.43640%0.4SS..  trans-60150.5174.160.90000108.9R352 S356 Q357 L358R352-T354 PolarHBondContact O-N 3.11Å; R352-T354 VanDerWaalsContact O-N 3.14Å; T354-S356 PolarHBondContact O-N 3.24Å; T354-S356 PolarHBondContact OG1-OG 3.32Å; T354-Q357 WeakPolarHBondContact O-CA 3.38Å; T354-Q357 WeakPolarHBondContact O-CB 3.31Å; T354-Q357 PolarHBondContact O-N 3.18Å; T354-Q357 WeakPolarHBondContact OG1-CG 3.43Å; T354-Q357 PolarHBondContact OG1-OE1 3.35Å; T354-L358 PolarHBondContact O-N 3.45Å
355E51.6Low55.9Low104 Ų10474.6 Ų74.649%0.48638%0.384SS..Hα-helixtrans-52-35.4177.1-175171.9-164.600111.6Q357 L358 S359 K471E355-Q357 PolarHBondContact O-N 3.25Å; E355-L358 PolarHBondContact O-N 2.92Å; E355-L358 VanDerWaalsContact O-N 3.16Å; E355-S359 PolarHBondContact O-N 3.37Å; E355-K471 IonicContact OE1-NZ 3.95Å
356S54.3Low57Low86 Ų8669 Ų6960%0.60135%0.348SS*.Hα-helixtrans-63-22.9175.274.70000115T354 Q360T354-S356 PolarHBondContact O-N 3.24Å; T354-S356 PolarHBondContact OG1-OG 3.32Å; S356-Q360 PolarHBondContact O-NE2 2.76Å
357Q54.7Low58Low107 Ų10769.4 Ų69.450%0.535%0.346SS..Hα-helixtrans-88.1-28.3175.6-73.7171.5-36.500112.2L353 T354 E355L353-Q357 HydrophobicContact CD2-CB 4.22Å; T354-Q357 WeakPolarHBondContact O-CA 3.38Å; T354-Q357 WeakPolarHBondContact O-CB 3.31Å; T354-Q357 PolarHBondContact O-N 3.18Å; T354-Q357 WeakPolarHBondContact OG1-CG 3.43Å; T354-Q357 PolarHBondContact OG1-OE1 3.35Å; E355-Q357 PolarHBondContact O-N 3.25Å
358L58.8Low59Low43 Ų4370.5 Ų70.523%0.22536%0.36CS..Hα-helixtrans-86.7-43.6-178.5-72.5169.2000112.5I332 L353 T354 E355I332-L358 HydrophobicContact CD1-CB 4.34Å; L353-L358 HydrophobicContact CB-CD1 3.97Å; L353-L358 HydrophobicContact CB-CD2 4.03Å; L353-L358 HydrophobicContact CB-CG 3.76Å; L353-L358 HydrophobicContact CD1-CD2 3.61Å; L353-L358 HydrophobicContact CD1-CG 4.3Å; L353-L358 HydrophobicContact CG-CD2 4.43Å; T354-L358 PolarHBondContact O-N 3.45Å; E355-L358 PolarHBondContact O-N 2.92Å; E355-L358 VanDerWaalsContact O-N 3.16Å
359S70.6Confident59.9Low19 Ų1968 Ų6813%0.13334%0.342CS..  trans-110.7127.6-172.4-171.60000111.1E355E355-S359 PolarHBondContact O-N 3.37Å
360Q80Confident60.6Low32 Ų3265.8 Ų65.815%0.1533%0.329CS..EExtended strand (participates in β ladder)trans-112.8128.4173.9-64.8-61.6-47.900109.9R272 F273 F274 L331 S356 L362R272-Q360 HydrophobicContact CB-CB 4.18Å; R272-Q360 HydrophobicContact CB-CG 4.32Å; R272-Q360 HydrophobicContact CG-CB 4.31Å; F273-Q360 WeakPolarHBondContact O-CG 3.35Å; F273-Q360 PolarHBondContact O-NE2 2.95Å; F274-Q360 HydrophobicContact CD1-CB 4.15Å; F274-Q360 HydrophobicContact CD1-CG 3.79Å; F274-Q360 HydrophobicContact CE1-CB 3.48Å; F274-Q360 VanDerWaalsContact CE1-CB 3.48Å; F274-Q360 HydrophobicContact CE1-CG 3.66Å; F274-Q360 HydrophobicContact CG-CG 4.34Å; F274-Q360 HydrophobicContact CZ-CB 3.71Å; F274-Q360 HydrophobicContact CZ-CG 4.07Å; L331-Q360 PolarHBondContact N-O 3.18Å; L331-Q360 PolarHBondContact O-N 3Å; S356-Q360 PolarHBondContact O-NE2 2.76Å; Q360-L362 PolarHBondContact O-N 2.76Å
361S82.2Confident61.4Low12 Ų1263 Ų638%0.08433%0.328CS..EExtended strand (participates in β ladder)trans-70.7124.2172.6-166.40000111.1R272 L329 N330 T363 A366R272-S361 WeakPolarHBondContact CD-O 3.35Å; R272-S361 PolarHBondContact NE-O 3.45Å; R272-S361 PolarHBondContact NH2-O 2.84Å; L329-S361 CarbonylContact O-C 3.51Å; L329-S361 WeakPolarHBondContact O-CA 3.34Å; L329-S361 PolarHBondContact O-OG 3.39Å; N330-S361 VanDerWaalsContact OD1-CA 3.22Å; N330-S361 WeakPolarHBondContact OD1-CA 3.18Å; N330-S361 WeakPolarHBondContact OD1-CB 3.49Å; N330-S361 PolarHBondContact OD1-OG 2.98Å; S361-T363 PolarHBondContact O-N 3.44Å; S361-T363 PolarHBondContact OG-N 3.31Å; S361-A366 VanDerWaalsContact CB-CB 3.49Å; S361-A366 WeakPolarHBondContact OG-CB 3.27Å
362L87.7Confident61.9Low0 Ų065.1 Ų65.10%033%0.332CS..SBendtrans-81.110.3168.3-52-172.6000111.9L258 S259 L260 F274 I290 L291 L329 L331 Q360L258-L362 CarbonylContact C-O 3.49Å; L258-L362 VanDerWaalsContact CA-O 3.26Å; L258-L362 WeakPolarHBondContact CA-O 3.31Å; S259-L362 PolarHBondContact N-O 3.31Å; S259-L362 CarbonylContact O-C 3.56Å; S259-L362 VanDerWaalsContact O-C 3.25Å; S259-L362 WeakPolarHBondContact O-CA 3.17Å; L260-L362 HydrophobicContact CD2-CD2 3.58Å; F274-L362 HydrophobicContact CZ-CD2 3.96Å; I290-L362 HydrophobicContact CG2-CD2 4.45Å; L291-L362 HydrophobicContact CD2-CB 4.09Å; L291-L362 HydrophobicContact CD2-CD1 4.19Å; L291-L362 HydrophobicContact CD2-CD2 4.37Å; L291-L362 HydrophobicContact CD2-CG 4.47Å; L329-L362 HydrophobicContact CB-CB 4.43Å; L329-L362 HydrophobicContact CD2-CB 4.42Å; L329-L362 HydrophobicContact CD2-CD1 3.94Å; L329-L362 HydrophobicContact CG-CD1 4.38Å; L329-L362 PolarHBondContact O-N 3.36Å; L331-L362 HydrophobicContact CB-CD1 3.81Å; L331-L362 HydrophobicContact CB-CD2 3.88Å; L331-L362 HydrophobicContact CB-CG 3.72Å; L331-L362 HydrophobicContact CD2-CD1 3.96Å; L331-L362 HydrophobicContact CD2-CD2 4Å; L331-L362 HydrophobicContact CD2-CG 4.39Å; L331-L362 HydrophobicContact CG-CD1 4.4Å; Q360-L362 PolarHBondContact O-N 2.76Å
363T85.7Confident62.3Low0 Ų056.1 Ų56.10%030%0.299CS..SBendtrans-109.5123.9177.6-63.40000109.2P257 R272 S328 L329 S361 F365 A366 L369P257-T363 HydrophobicContact CB-CG2 4.21Å; P257-T363 WeakPolarHBondContact O-CA 3.3Å; P257-T363 WeakPolarHBondContact O-CB 3.45Å; P257-T363 PolarHBondContact O-OG1 2.84Å; R272-T363 PolarHBondContact NH2-O 3Å; S328-T363 WeakPolarHBondContact CA-OG1 3.4Å; L329-T363 PolarHBondContact N-OG1 2.83Å; S361-T363 PolarHBondContact O-N 3.44Å; S361-T363 PolarHBondContact OG-N 3.31Å; T363-F365 VanDerWaalsContact C-N 3.3Å; T363-F365 PolarHBondContact O-N 3.34Å; T363-A366 HydrophobicContact CG2-CB 4.48Å; T363-A366 VanDerWaalsContact O-CB 3.3Å; T363-A366 WeakPolarHBondContact O-CB 3.42Å; T363-A366 PolarHBondContact O-N 3.29Å; T363-L369 HydrophobicContact CG2-CD1 4.06Å
364P80.4Confident62.7Low4 Ų455.3 Ų55.33%0.02630%0.299CS..THydrogen-bonded Turntrans-66-30.6-172.824.4-33.7000112.9W223 P257 S261 S262 L264W223-P364 HydrophobicContact CE3-CG 4.48Å; P257-P364 HydrophobicContact CB-CG 4.49Å; S261-P364 WeakPolarHBondContact O-CA 3.33Å; S261-P364 WeakPolarHBondContact O-CB 3.46Å; S262-P364 CarbonylContact C-O 3.56Å; L264-P364 HydrophobicContact CD1-CG 4.23Å; L264-P364 HydrophobicContact CD2-CB 3.61Å; L264-P364 HydrophobicContact CD2-CG 3.8Å; L264-P364 HydrophobicContact CG-CB 3.73Å; L264-P364 HydrophobicContact CG-CG 3.9Å
365F71.3Confident63.1Low34 Ų3458.1 Ų58.115%0.14931%0.31CS..THydrogen-bonded Turntrans-948.1-178.3-45.3-55000114T241 L245 L264 W265 T363 Q367 S368 L369T241-F365 HydrophobicContact CG2-CZ 4.12Å; L245-F365 HydrophobicContact CD1-CE2 4.02Å; L264-F365 HydrophobicContact CB-CE1 4.19Å; L264-F365 HydrophobicContact CB-CZ 4.45Å; L264-F365 HydrophobicContact CD1-CE1 3.79Å; L264-F365 HydrophobicContact CD1-CE2 4.12Å; L264-F365 HydrophobicContact CD1-CZ 3.24Å; L264-F365 HydrophobicContact CG-CE1 3.74Å; L264-F365 HydrophobicContact CG-CZ 3.73Å; W265-F365 HydrophobicContact CE3-CE1 4.1Å; W265-F365 AromaticContact CH2-CD1 3.73Å; W265-F365 HydrophobicContact CH2-CD1 3.73Å; W265-F365 AromaticContact CH2-CE1 3.28Å; W265-F365 HydrophobicContact CH2-CE1 3.28Å; W265-F365 HydrophobicContact CH2-CZ 4.1Å; W265-F365 HydrophobicContact CZ2-CE1 4.3Å; W265-F365 HydrophobicContact CZ3-CD1 4.1Å; W265-F365 AromaticContact CZ3-CE1 3.17Å; W265-F365 HydrophobicContact CZ3-CE1 3.17Å; W265-F365 AromaticContact CZ3-CZ 3.7Å; W265-F365 HydrophobicContact CZ3-CZ 3.7Å; T363-F365 VanDerWaalsContact C-N 3.3Å; T363-F365 PolarHBondContact O-N 3.34Å; F365-Q367 VanDerWaalsContact C-N 3.3Å; F365-Q367 PolarHBondContact O-N 3.21Å; F365-Q367 VanDerWaalsContact O-N 3.14Å; F365-S368 WeakPolarHBondContact O-CB 3.42Å; F365-S368 PolarHBondContact O-N 2.71Å; F365-L369 HydrophobicContact CB-CD1 4.26Å; F365-L369 HydrophobicContact CB-CG 4.36Å; F365-L369 WeakPolarHBondContact O-CG 3.43Å; F365-L369 PolarHBondContact O-N 3.35Å
366A63Low63.2Low1 Ų161 Ų611%0.00832%0.323CS..Hα-helixtrans-55.4-38.9-168.300000114.4S361 T363 S368 L369 L370S361-A366 VanDerWaalsContact CB-CB 3.49Å; S361-A366 WeakPolarHBondContact OG-CB 3.27Å; T363-A366 HydrophobicContact CG2-CB 4.48Å; T363-A366 VanDerWaalsContact O-CB 3.3Å; T363-A366 WeakPolarHBondContact O-CB 3.42Å; T363-A366 PolarHBondContact O-N 3.29Å; A366-S368 PolarHBondContact O-N 2.77Å; A366-L369 CarbonylContact O-C 3.45Å; A366-L369 WeakPolarHBondContact O-CB 3.29Å; A366-L369 PolarHBondContact O-N 3.29Å; A366-L369 VanDerWaalsContact O-N 3.12Å; A366-L370 WeakPolarHBondContact O-CB 3.43Å; A366-L370 WeakPolarHBondContact O-CG 3.44Å; A366-L370 PolarHBondContact O-N 2.98Å
367Q60.5Low63.2Low134 Ų13460 Ų6063%0.62631%0.309SS*.Hα-helixtrans-67-38.7179.6-167.3172.911.300112.1F365 L369 N371F365-Q367 VanDerWaalsContact C-N 3.3Å; F365-Q367 PolarHBondContact O-N 3.21Å; F365-Q367 VanDerWaalsContact O-N 3.14Å; Q367-L369 VanDerWaalsContact C-N 3.26Å; Q367-L369 PolarHBondContact O-N 3Å; Q367-N371 PolarHBondContact O-N 2.61Å; Q367-N371 PolarHBondContact O-ND2 2.99Å
368S58.7Low63.1Low79 Ų7961.2 Ų61.255%0.55231%0.309SS*.Hα-helixtrans-66.3-32.8172.5-166.10000111.3F365 A366 H372F365-S368 WeakPolarHBondContact O-CB 3.42Å; F365-S368 PolarHBondContact O-N 2.71Å; A366-S368 PolarHBondContact O-N 2.77Å; S368-H372 PolarHBondContact O-CD2 3.13Å
369L54.1Low62.9Low18 Ų1864.9 Ų64.99%0.09433%0.329CS..Hα-helixtrans-72.1-49177.6-63.7168.5000111.5L326 T363 F365 A366 Q367 N371 H372 I373 V478L326-L369 HydrophobicContact CD2-CD1 4.07Å; L326-L369 HydrophobicContact CD2-CD2 3.75Å; L326-L369 HydrophobicContact CG-CD1 4.35Å; L326-L369 HydrophobicContact CG-CD2 4.5Å; T363-L369 HydrophobicContact CG2-CD1 4.06Å; F365-L369 HydrophobicContact CB-CD1 4.26Å; F365-L369 HydrophobicContact CB-CG 4.36Å; F365-L369 WeakPolarHBondContact O-CG 3.43Å; F365-L369 PolarHBondContact O-N 3.35Å; A366-L369 CarbonylContact O-C 3.45Å; A366-L369 WeakPolarHBondContact O-CB 3.29Å; A366-L369 PolarHBondContact O-N 3.29Å; A366-L369 VanDerWaalsContact O-N 3.12Å; Q367-L369 VanDerWaalsContact C-N 3.26Å; Q367-L369 PolarHBondContact O-N 3Å; L369-N371 VanDerWaalsContact C-N 3.34Å; L369-N371 PolarHBondContact O-N 3.26Å; L369-H372 PolarHBondContact O-N 2.88Å; L369-I373 WeakPolarHBondContact O-CG1 3.22Å; L369-V478 HydrophobicContact CB-CG2 4.32Å; L369-V478 HydrophobicContact CD2-CB 3.91Å; L369-V478 HydrophobicContact CD2-CG2 3.98Å; L369-V478 VanDerWaalsContact O-CG2 3.22Å; L369-V478 WeakPolarHBondContact O-CG2 3.22Å
370L53.8Low62.7Low77 Ų7766 Ų6640%0.40333%0.332SS..Hα-helixtrans-63.5-34.2-173.9-74166000113.6A366 H372 I373A366-L370 WeakPolarHBondContact O-CB 3.43Å; A366-L370 WeakPolarHBondContact O-CG 3.44Å; A366-L370 PolarHBondContact O-N 2.98Å; L370-H372 PolarHBondContact O-N 2.67Å; L370-H372 VanDerWaalsContact O-N 3.11Å; L370-I373 HydrophobicContact CD2-CD1 4.09Å; L370-I373 PolarHBondContact O-N 3.37Å
371N52.1Low62.1Low126 Ų12665.5 Ų65.567%0.67433%0.33SS*.THydrogen-bonded Turntrans-64.7-13.8-179.6-73.4-11.5000113.4Q367 L369Q367-N371 PolarHBondContact O-N 2.61Å; Q367-N371 PolarHBondContact O-ND2 2.99Å; L369-N371 VanDerWaalsContact C-N 3.34Å; L369-N371 PolarHBondContact O-N 3.26Å
372H48.1Very low61.5Low129 Ų12965 Ų6560%0.59733%0.326SS*.THydrogen-bonded Turntrans-112.15.4-175.8-64.9-58.8000114.5S368 L369 L370 P374 V478S368-H372 PolarHBondContact O-CD2 3.13Å; L369-H372 PolarHBondContact O-N 2.88Å; L370-H372 PolarHBondContact O-N 2.67Å; L370-H372 VanDerWaalsContact O-N 3.11Å; H372-P374 WeakPolarHBondContact O-CD 3.4Å; H372-V478 HydrophobicContact CB-CG2 3.79Å
373I49.1Very low60.8Low18 Ų1865 Ų659%0.09233%0.327CS..  trans-92.8114-175.6-52175.3000110L369 L370 Q377 R378 S476L369-I373 WeakPolarHBondContact O-CG1 3.22Å; L370-I373 HydrophobicContact CD2-CD1 4.09Å; L370-I373 PolarHBondContact O-N 3.37Å; I373-Q377 HydrophobicContact CG2-CB 3.7Å; I373-R378 HydrophobicContact CG2-CG 4.45Å; I373-S476 WeakPolarHBondContact CD1-O 3.46Å
374P53.7Low60.3Low67 Ų6765 Ų6544%0.43533%0.327SS..  trans-58.9150.4169.2-19.332.6000111.2H372 E376 Q377H372-P374 WeakPolarHBondContact O-CD 3.4Å; P374-E376 PolarHBondContact O-N 3.08Å; P374-E376 VanDerWaalsContact O-N 3.15Å; P374-Q377 PolarHBondContact O-N 3.24Å
375I55.3Low59.9Low130 Ų13065.1 Ų65.167%0.66733%0.327SS*.G310 helixtrans-55-37.6-179.3-63.6171.1000111.3Q377 R378I375-Q377 VanDerWaalsContact C-N 3.26Å; I375-Q377 PolarHBondContact O-N 2.81Å; I375-R378 VanDerWaalsContact O-CB 3.26Å; I375-R378 WeakPolarHBondContact O-CB 3.48Å; I375-R378 PolarHBondContact O-N 3.14Å
376E53Low59.9Low165 Ų16564.2 Ų64.277%0.77132%0.323SS*.G310 helixtrans-61.1-27.4179.4-61.3174.8-174.600113.9P374 R378P374-E376 PolarHBondContact O-N 3.08Å; P374-E376 VanDerWaalsContact O-N 3.15Å; E376-R378 VanDerWaalsContact C-N 3.32Å
377Q55Low60Low64 Ų6464.2 Ų64.230%0.29932%0.323SS..G310 helixtrans-80.9-13.5177-71.9-178.6-8.700112.6I373 P374 I375 D379 Q380 S476 S477I373-Q377 HydrophobicContact CG2-CB 3.7Å; P374-Q377 PolarHBondContact O-N 3.24Å; I375-Q377 VanDerWaalsContact C-N 3.26Å; I375-Q377 PolarHBondContact O-N 2.81Å; Q377-D379 PolarHBondContact O-N 3.49Å; Q377-Q380 PolarHBondContact O-N 3.01Å; Q377-S476 PolarHBondContact O-OG 3.46Å; Q377-S476 VanDerWaalsContact O-OG 3.12Å; Q377-S477 PolarHBondContact OE1-OG 3.05Å
378R52.9Low59.8Low134 Ų13460.2 Ų60.251%0.50630%0.304SS..G310 helixtrans-67.8-13.5174.7-59.8-178.4179.7170.3-0.7112.4I373 I375 E376 Q380 M381I373-R378 HydrophobicContact CG2-CG 4.45Å; I375-R378 VanDerWaalsContact O-CB 3.26Å; I375-R378 WeakPolarHBondContact O-CB 3.48Å; I375-R378 PolarHBondContact O-N 3.14Å; E376-R378 VanDerWaalsContact C-N 3.32Å; R378-Q380 PolarHBondContact O-N 2.99Å; R378-M381 HydrophobicContact CB-CE 4.12Å; R378-M381 HydrophobicContact CB-SD 4.46Å; R378-M381 VanDerWaalsContact O-CE 3.25Å; R378-M381 WeakPolarHBondContact O-CE 3.34Å; R378-M381 WeakPolarHBondContact O-CG 3.21Å
379D53.9Low59.5Low119 Ų11956.9 Ų56.964%0.63628%0.28SS*.G310 helixtrans-73.6-13.9177.2-64.2-22.4000113Q377 M381Q377-D379 PolarHBondContact O-N 3.49Å; D379-M381 VanDerWaalsContact C-N 3.25Å; D379-M381 PolarHBondContact O-N 2.67Å
380Q65.3Low59.2Low42 Ų4261.8 Ų61.820%0.19630%0.303CS..G310 helixtrans-86.710.7179.6-68.2177.9-14.300113.9I317 Q377 R378 S476I317-Q380 WeakPolarHBondContact O-CB 3.44Å; Q377-Q380 PolarHBondContact O-N 3.01Å; R378-Q380 PolarHBondContact O-N 2.99Å; Q380-S476 PolarHBondContact OE1-OG 3.26Å
381M67.7Low58.8Low22 Ų2260.7 Ų60.711%0.10830%0.297CS..  trans-83.2140.9179-57.2-172.5-52.300111.3R378 D379 T473 L474R378-M381 HydrophobicContact CB-CE 4.12Å; R378-M381 HydrophobicContact CB-SD 4.46Å; R378-M381 VanDerWaalsContact O-CE 3.25Å; R378-M381 WeakPolarHBondContact O-CE 3.34Å; R378-M381 WeakPolarHBondContact O-CG 3.21Å; D379-M381 VanDerWaalsContact C-N 3.25Å; D379-M381 PolarHBondContact O-N 2.67Å; M381-T473 HydrophobicContact CB-CG2 3.82Å; M381-T473 HydrophobicContact CE-CG2 4.15Å; M381-T473 HydrophobicContact CG-CG2 4Å; M381-T473 HydrophobicContact SD-CG2 3.49Å; M381-T473 WeakPolarHBondContact SD-CG2 3.19Å; M381-L474 WeakPolarHBondContact CA-O 3Å; M381-L474 WeakPolarHBondContact CB-O 3.06Å; M381-L474 VanDerWaalsContact CG-O 3.31Å; M381-L474 WeakPolarHBondContact CG-O 3.22Å
382F69.3Low58.5Low1 Ų156 Ų560%0.00427%0.273CS..  trans-116.6149.2160.169.1-95.9000110.4V298 P301 W302 V314 V318 C384 K418 F420 L474V298-F382 HydrophobicContact CG2-CE2 3.88Å; V298-F382 HydrophobicContact CG2-CZ 3.76Å; P301-F382 HydrophobicContact CG-CD2 4.15Å; P301-F382 HydrophobicContact CG-CE2 3.89Å; W302-F382 HydrophobicContact CZ3-CZ 4.37Å; V314-F382 HydrophobicContact CG1-CD1 4.15Å; V314-F382 HydrophobicContact CG1-CE1 3.65Å; V314-F382 HydrophobicContact CG1-CE2 4.38Å; V314-F382 HydrophobicContact CG1-CZ 3.79Å; V318-F382 HydrophobicContact CG2-CD1 3.67Å; V318-F382 HydrophobicContact CG2-CE1 3.59Å; F382-C384 VanDerWaalsContact CD2-SG 3.58Å; F382-C384 WeakPolarHBondContact CE2-SG 3.24Å; F382-K418 WeakPolarHBondContact CA-O 3.49Å; F382-K418 HydrophobicContact CB-CB 4.09Å; F382-F420 HydrophobicContact CB-CD2 4.32Å; F382-F420 HydrophobicContact CB-CE2 4.01Å; F382-F420 HydrophobicContact CD2-CD2 4.18Å; F382-F420 HydrophobicContact CD2-CE2 4.36Å; F382-F420 HydrophobicContact CG-CE2 4.35Å; F382-L474 HydrophobicContact CE1-CB 4.34Å; F382-L474 HydrophobicContact CE1-CD1 3.56Å; F382-L474 HydrophobicContact CE1-CG 4.27Å; F382-L474 HydrophobicContact CE2-CD1 4.47Å; F382-L474 HydrophobicContact CZ-CD1 3.47Å; F382-L474 VanDerWaalsContact CZ-CD1 3.47Å; F382-L474 HydrophobicContact CZ-CG 4.11Å
383C73.1Confident58.3Low2 Ų252.7 Ų52.71%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-110.2130.6175.5-178.70000109.5L413 K418 I419 F420 L472C383-L413 HydrophobicContact CB-CD2 4.46Å; C383-L413 WeakPolarHBondContact SG-CD2 3.46Å; C383-K418 PolarHBondContact N-O 2.78Å; C383-I419 HydrophobicContact CB-CG1 4.29Å; C383-I419 CarbonylContact O-C 3.44Å; C383-I419 WeakPolarHBondContact O-CA 3.31Å; C383-F420 PolarHBondContact O-N 3.28Å; C383-L472 VanDerWaalsContact CA-O 3.32Å; C383-L472 WeakPolarHBondContact CA-O 3.1Å
384C76.1Confident57.9Low0 Ų058.3 Ų58.30%029%0.286CS..EExtended strand (participates in β ladder)trans-108.5140.6168.1-66.20000110.1T297 L300 P301 F382 F420 L472T297-C384 HydrophobicContact CG2-CB 3.69Å; T297-C384 WeakPolarHBondContact O-CB 3.09Å; T297-C384 PolarHBondContact O-SG 2.84Å; L300-C384 HydrophobicContact CB-CB 4.4Å; L300-C384 HydrophobicContact CD2-CB 4.38Å; P301-C384 VanDerWaalsContact CD-SG 3.55Å; P301-C384 WeakPolarHBondContact CG-SG 3.42Å; F382-C384 VanDerWaalsContact CD2-SG 3.58Å; F382-C384 WeakPolarHBondContact CE2-SG 3.24Å; C384-F420 CarbonylContact C-O 3.55Å; C384-F420 WeakPolarHBondContact CA-O 3.44Å; C384-L472 PolarHBondContact N-O 2.98Å; C384-L472 PolarHBondContact O-N 3.46Å
385L71.9Confident57.2Low6 Ų660.8 Ų60.83%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-137127.7-178176.464.2000111.1I389 L409 F420 T421 S422 F469 L470L385-I389 HydrophobicContact CD2-CD1 3.28Å; L385-I389 HydrophobicContact CD2-CG1 3.95Å; L385-I389 HydrophobicContact CG-CD1 3.7Å; L385-I389 HydrophobicContact CG-CG1 4.47Å; L385-L409 HydrophobicContact CD2-CD2 4.42Å; L385-F420 PolarHBondContact N-O 3.2Å; L385-T421 HydrophobicContact CB-CG2 4.26Å; L385-T421 HydrophobicContact CD2-CG2 4.28Å; L385-T421 CarbonylContact O-C 3.56Å; L385-T421 VanDerWaalsContact O-CA 3.25Å; L385-T421 WeakPolarHBondContact O-CA 3.45Å; L385-S422 PolarHBondContact O-N 2.75Å; L385-F469 HydrophobicContact CD1-CB 4.22Å; L385-F469 HydrophobicContact CD1-CD1 3.43Å; L385-F469 VanDerWaalsContact CD1-CD1 3.43Å; L385-F469 HydrophobicContact CD1-CE1 4.17Å; L385-F469 HydrophobicContact CD1-CG 4.17Å; L385-F469 HydrophobicContact CD2-CD1 3.71Å; L385-F469 HydrophobicContact CD2-CE1 3.6Å; L385-F469 HydrophobicContact CG-CD1 4.21Å; L385-L470 VanDerWaalsContact CA-O 3.29Å; L385-L470 WeakPolarHBondContact CA-O 3.39Å; L385-L470 VanDerWaalsContact CD1-N 3.29Å; L385-L470 WeakPolarHBondContact CD1-O 3.45Å
386K71.1Confident56.4Low14 Ų1463.2 Ų63.26%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-122.1117.7177.4-77.4-168.1161.8172.60111.3E296 T297 L300 I426E296-K386 VanDerWaalsContact CD-NZ 3.28Å; E296-K386 VanDerWaalsContact CG-NZ 3.34Å; E296-K386 PolarHBondContact O-NZ 3.48Å; E296-K386 IonicContact OE1-NZ 3.75Å; E296-K386 PolarHBondContact OE1-NZ 2.94Å; T297-K386 HydrophobicContact CG2-CG 4.23Å; L300-K386 HydrophobicContact CD2-CG 4.34Å; K386-I426 HydrophobicContact CB-CG1 4.29Å; K386-I426 HydrophobicContact CD-CG1 3.91Å
387G64.9Low56Low2 Ų256.9 Ų56.92%0.02127%0.273CS..SBendtrans167.5167.5176.600000111.5I389 S422 G423G387-I389 PolarHBondContact O-N 2.8Å; G387-S422 PolarHBondContact N-O 2.85Å; G387-G423 CarbonylContact C-O 3.56Å; G387-G423 CarbonylContact O-C 3.39Å; G387-G423 VanDerWaalsContact O-CA 3.23Å; G387-G423 WeakPolarHBondContact O-CA 3.22Å
388E56.2Low55.5Low49 Ų4956.3 Ų56.323%0.22928%0.279CS..  trans-72.465.8-178.3-66.1-133.1161.600113Q390 N391 G423 L464E388-Q390 VanDerWaalsContact C-N 3.34Å; E388-N391 PolarHBondContact OE2-ND2 2.89Å; E388-G423 WeakPolarHBondContact CA-O 3.38Å; E388-G423 WeakPolarHBondContact CG-O 3.25Å; E388-G423 PolarHBondContact N-O 3.29Å; E388-L464 HydrophobicContact CG-CD2 4.45Å; E388-L464 VanDerWaalsContact OE1-CD2 3.3Å; E388-L464 WeakPolarHBondContact OE1-CD2 3.41Å; E388-L464 WeakPolarHBondContact OE2-CD2 3.38Å
389I52Low55.2Low10 Ų1055.2 Ų55.25%0.05129%0.29CS..Hα-helixtrans-73-33.9-179.4-52.1150.9000109.9L385 G387 N391 V392 L393 T421L385-I389 HydrophobicContact CD2-CD1 3.28Å; L385-I389 HydrophobicContact CD2-CG1 3.95Å; L385-I389 HydrophobicContact CG-CD1 3.7Å; L385-I389 HydrophobicContact CG-CG1 4.47Å; G387-I389 PolarHBondContact O-N 2.8Å; I389-N391 VanDerWaalsContact C-N 3.27Å; I389-N391 PolarHBondContact O-N 3.49Å; I389-V392 CarbonylContact O-C 3.59Å; I389-V392 WeakPolarHBondContact O-CA 3.45Å; I389-V392 WeakPolarHBondContact O-CB 3.33Å; I389-V392 PolarHBondContact O-N 2.85Å; I389-L393 HydrophobicContact CG2-CD1 3.88Å; I389-L393 HydrophobicContact CG2-CG 3.99Å; I389-L393 WeakPolarHBondContact O-CG 3.35Å; I389-L393 PolarHBondContact O-N 2.93Å; I389-T421 HydrophobicContact CD1-CG2 3.81Å
390Q48.3Very low54.8Low120 Ų12059.2 Ų59.256%0.56130%0.296SS*.Hα-helixtrans-61-35.5-176.6-73.1-169.9-6.400112.4E388 V392 L393 Q394E388-Q390 VanDerWaalsContact C-N 3.34Å; Q390-V392 PolarHBondContact O-N 3.27Å; Q390-L393 CarbonylContact O-C 3.57Å; Q390-L393 PolarHBondContact O-N 3.02Å; Q390-Q394 VanDerWaalsContact O-CB 3.25Å; Q390-Q394 WeakPolarHBondContact O-CB 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.41Å; Q390-Q394 PolarHBondContact O-N 3.5Å
391N46.3Very low53.8Low54 Ų5460 Ų6029%0.28930%0.299SS..Hα-helixtrans-66-27.6174.8-84.1-26.6000112.8E388 I389 R395E388-N391 PolarHBondContact OE2-ND2 2.89Å; I389-N391 VanDerWaalsContact C-N 3.27Å; I389-N391 PolarHBondContact O-N 3.49Å; N391-R395 VanDerWaalsContact O-CB 3.28Å; N391-R395 WeakPolarHBondContact O-CB 3.17Å; N391-R395 WeakPolarHBondContact O-CG 3.3Å; N391-R395 PolarHBondContact O-N 2.73Å
392V46.4Very low52.7Low28 Ų2860.6 Ų60.617%0.1730%0.304CS..Hα-helixtrans-77.3-29.9172.2-176.50000111.5I389 Q390 V397 L467I389-V392 CarbonylContact O-C 3.59Å; I389-V392 WeakPolarHBondContact O-CA 3.45Å; I389-V392 WeakPolarHBondContact O-CB 3.33Å; I389-V392 PolarHBondContact O-N 2.85Å; Q390-V392 PolarHBondContact O-N 3.27Å; V392-V397 WeakPolarHBondContact O-CG2 3.02Å; V392-L467 HydrophobicContact CB-CD2 4.39Å; V392-L467 HydrophobicContact CG1-CD1 4.44Å; V392-L467 HydrophobicContact CG2-CD1 3.75Å; V392-L467 HydrophobicContact CG2-CD2 3.59Å; V392-L467 HydrophobicContact CG2-CG 3.69Å
393L42.6Very low51.6Low60 Ų6067 Ų6731%0.31433%0.334SS..Hα-helixtrans-83.7-32.8177.7-61.9175.4000113.9I389 Q390 V402 F406I389-L393 HydrophobicContact CG2-CD1 3.88Å; I389-L393 HydrophobicContact CG2-CG 3.99Å; I389-L393 WeakPolarHBondContact O-CG 3.35Å; I389-L393 PolarHBondContact O-N 2.93Å; Q390-L393 CarbonylContact O-C 3.57Å; Q390-L393 PolarHBondContact O-N 3.02Å; L393-V402 HydrophobicContact CD2-CB 4.31Å; L393-V402 HydrophobicContact CD2-CG1 3.51Å; L393-V402 HydrophobicContact CD2-CG2 4.06Å; L393-F406 HydrophobicContact CD1-CE2 4.33Å; L393-F406 HydrophobicContact CD1-CZ 4.38Å; L393-F406 HydrophobicContact CD2-CD2 4.26Å; L393-F406 HydrophobicContact CD2-CE2 3.53Å; L393-F406 HydrophobicContact CD2-CZ 4.3Å
394Q41.1Very low50.4Low136 Ų13669.9 Ų69.964%0.63635%0.352SS*.Hα-helixtrans-99-24.9-172.4-71.3-172.96.600114.1Q390 N396Q390-Q394 VanDerWaalsContact O-CB 3.25Å; Q390-Q394 WeakPolarHBondContact O-CB 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.41Å; Q390-Q394 PolarHBondContact O-N 3.5Å; Q394-N396 PolarHBondContact O-N 3.42Å
395R39.3Very low49Very low119 Ų11970.7 Ų70.745%0.44936%0.357SS..SBendtrans-54.5144.9163.2-79178.6-179.4-170.82.8106.5N391 V397 E465N391-R395 VanDerWaalsContact O-CB 3.28Å; N391-R395 WeakPolarHBondContact O-CB 3.17Å; N391-R395 WeakPolarHBondContact O-CG 3.3Å; N391-R395 PolarHBondContact O-N 2.73Å; R395-V397 HydrophobicContact CB-CG2 3.86Å; R395-V397 VanDerWaalsContact O-CB 3.25Å; R395-V397 WeakPolarHBondContact O-CB 3.42Å; R395-V397 WeakPolarHBondContact O-CG2 3.4Å; R395-V397 PolarHBondContact O-N 2.9Å; R395-E465 IonicContact NH1-OE1 2.96Å; R395-E465 PolarHBondContact NH1-OE1 3.07Å
396N37.5Very low48Very low180 Ų18073.9 Ų73.996%0.96337%0.371SS*.SBendtrans-60.656179-73.9-37.6000112.4Q394Q394-N396 PolarHBondContact O-N 3.42Å
397V45Very low47.1Very low33 Ų3376.1 Ų76.120%0.239%0.388CS..  trans-83116.6-180165.40000102.3V392 R395 Q401 V402V392-V397 WeakPolarHBondContact O-CG2 3.02Å; R395-V397 HydrophobicContact CB-CG2 3.86Å; R395-V397 VanDerWaalsContact O-CB 3.25Å; R395-V397 WeakPolarHBondContact O-CB 3.42Å; R395-V397 WeakPolarHBondContact O-CG2 3.4Å; R395-V397 PolarHBondContact O-N 2.9Å; V397-Q401 HydrophobicContact CB-CB 4.4Å; V397-Q401 HydrophobicContact CG1-CB 3.17Å; V397-Q401 HydrophobicContact CG1-CG 4.23Å; V397-Q401 VanDerWaalsContact CG1-OE1 3.26Å; V397-V402 HydrophobicContact CB-CG2 4.46Å; V397-V402 HydrophobicContact CG1-CG2 3.83Å
398A45.6Very low46.4Very low51 Ų5179 Ų7942%0.42140%0.402SS..  trans-49.9146.1-178.300000109R400 Q401A398-R400 PolarHBondContact O-N 3.34Å; A398-Q401 WeakPolarHBondContact O-CB 3.45Å; A398-Q401 PolarHBondContact O-N 3.23Å
399P45.7Very low46.3Very low112 Ų11277 Ų7773%0.72739%0.394SS*.Hα-helixtrans-47.3-34.5-179.3-28.532.8000113.4Q401 V402 E403P399-Q401 VanDerWaalsContact C-N 3.33Å; P399-Q401 PolarHBondContact O-N 3.48Å; P399-V402 PolarHBondContact O-N 2.65Å; P399-E403 WeakPolarHBondContact O-CB 3.21Å; P399-E403 PolarHBondContact O-N 3.2Å
400R44.4Very low46.4Very low203 Ų20383.6 Ų83.677%0.76642%0.418SS*.Hα-helixtrans-58.4-34.6173.5-72.9-175.6177.1170.8-0.5114.8A398 T404A398-R400 PolarHBondContact O-N 3.34Å; R400-T404 WeakPolarHBondContact O-CG2 3.41Å; R400-T404 PolarHBondContact O-N 2.78Å; R400-T404 PolarHBondContact O-OG1 2.59Å
401Q44.2Very low46.6Very low57 Ų5781 Ų8127%0.26642%0.417SS..Hα-helixtrans-78.6-36.2-178.6-73.9178.5-13.800112.4E341 V397 A398 P399 E403 T404 T405E341-Q401 VanDerWaalsContact CD-NE2 3.33Å; E341-Q401 PolarHBondContact OE1-NE2 2.74Å; E341-Q401 PolarHBondContact OE2-NE2 2.83Å; V397-Q401 HydrophobicContact CB-CB 4.4Å; V397-Q401 HydrophobicContact CG1-CB 3.17Å; V397-Q401 HydrophobicContact CG1-CG 4.23Å; V397-Q401 VanDerWaalsContact CG1-OE1 3.26Å; A398-Q401 WeakPolarHBondContact O-CB 3.45Å; A398-Q401 PolarHBondContact O-N 3.23Å; P399-Q401 VanDerWaalsContact C-N 3.33Å; P399-Q401 PolarHBondContact O-N 3.48Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; Q401-T404 WeakPolarHBondContact CA-OG1 3.41Å; Q401-T404 PolarHBondContact O-N 2.97Å; Q401-T404 PolarHBondContact O-OG1 2.88Å; Q401-T405 WeakPolarHBondContact O-CB 3.42Å; Q401-T405 PolarHBondContact O-N 3.36Å; Q401-T405 PolarHBondContact O-OG1 3.15Å
402V45.7Very low46.8Very low35 Ų3580.5 Ų80.521%0.21242%0.416CS..Hα-helixtrans-64.1-44.9169.9172.30000109.7L393 V397 P399 T405 F406L393-V402 HydrophobicContact CD2-CB 4.31Å; L393-V402 HydrophobicContact CD2-CG1 3.51Å; L393-V402 HydrophobicContact CD2-CG2 4.06Å; V397-V402 HydrophobicContact CB-CG2 4.46Å; V397-V402 HydrophobicContact CG1-CG2 3.83Å; P399-V402 PolarHBondContact O-N 2.65Å; V402-T405 PolarHBondContact O-N 3.12Å; V402-F406 HydrophobicContact CG1-CD2 3.71Å; V402-F406 HydrophobicContact CG1-CE2 3.91Å; V402-F406 WeakPolarHBondContact O-CD2 3.45Å; V402-F406 PolarHBondContact O-N 3.02Å
403E46.5Very low47.1Very low135 Ų13579.4 Ų79.463%0.63141%0.409SS*.Hα-helixtrans-64.6-40.1177.7-163.5168.7-158.900111.9P399 Q401 F406 S407P399-E403 WeakPolarHBondContact O-CB 3.21Å; P399-E403 PolarHBondContact O-N 3.2Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; E403-F406 PolarHBondContact O-N 2.71Å; E403-S407 VanDerWaalsContact O-CB 3.26Å; E403-S407 WeakPolarHBondContact O-CB 3.44Å; E403-S407 PolarHBondContact O-N 3.46Å; E403-S407 PolarHBondContact O-OG 3.41Å
404T46.7Very low47.6Very low63 Ų6381.6 Ų81.639%0.38742%0.421SS..Hα-helixtrans-65.9-39.3172.345.60000112.5R400 Q401 S407 L408R400-T404 WeakPolarHBondContact O-CG2 3.41Å; R400-T404 PolarHBondContact O-N 2.78Å; R400-T404 PolarHBondContact O-OG1 2.59Å; Q401-T404 WeakPolarHBondContact CA-OG1 3.41Å; Q401-T404 PolarHBondContact O-N 2.97Å; Q401-T404 PolarHBondContact O-OG1 2.88Å; T404-S407 WeakPolarHBondContact CA-OG 3.46Å; T404-S407 PolarHBondContact O-N 3.24Å; T404-S407 PolarHBondContact O-OG 3.05Å; T404-L408 WeakPolarHBondContact O-CB 3.32Å; T404-L408 PolarHBondContact O-N 3.3Å
405T47.7Very low48.1Very low18 Ų1875.7 Ų75.711%0.1140%0.395CS..Hα-helixtrans-64.9-45176.3-54.20000110.9Q401 V402 L408 L409 F469Q401-T405 WeakPolarHBondContact O-CB 3.42Å; Q401-T405 PolarHBondContact O-N 3.36Å; Q401-T405 PolarHBondContact O-OG1 3.15Å; V402-T405 PolarHBondContact O-N 3.12Å; T405-L408 PolarHBondContact O-N 3.03Å; T405-L409 HydrophobicContact CG2-CD1 4.16Å; T405-L409 VanDerWaalsContact O-CB 3.29Å; T405-L409 WeakPolarHBondContact O-CB 3.46Å; T405-L409 WeakPolarHBondContact O-CD1 3.37Å; T405-L409 WeakPolarHBondContact O-CG 3.43Å; T405-L409 PolarHBondContact O-N 3.02Å; T405-F469 HydrophobicContact CG2-CZ 4.34Å
406F50.7Low48.6Very low73 Ų7374.8 Ų74.832%0.3240%0.402SS..Hα-helixtrans-69.4-33.3176-87.7-70.4000113.6L393 V402 E403 L409 R410L393-F406 HydrophobicContact CD1-CE2 4.33Å; L393-F406 HydrophobicContact CD1-CZ 4.38Å; L393-F406 HydrophobicContact CD2-CD2 4.26Å; L393-F406 HydrophobicContact CD2-CE2 3.53Å; L393-F406 HydrophobicContact CD2-CZ 4.3Å; V402-F406 HydrophobicContact CG1-CD2 3.71Å; V402-F406 HydrophobicContact CG1-CE2 3.91Å; V402-F406 WeakPolarHBondContact O-CD2 3.45Å; V402-F406 PolarHBondContact O-N 3.02Å; E403-F406 PolarHBondContact O-N 2.71Å; F406-L409 HydrophobicContact CD1-CD1 4.31Å; F406-R410 WeakPolarHBondContact O-CB 3.05Å; F406-R410 VanDerWaalsContact O-CG 3.25Å; F406-R410 WeakPolarHBondContact O-CG 3.38Å; F406-R410 PolarHBondContact O-N 3.2Å
407S52.3Low49.4Very low60 Ų6073.5 Ų73.542%0.4239%0.39SS..Hα-helixtrans-75.3-34.9175.6470000111.7E403 T404 R410 A411E403-S407 VanDerWaalsContact O-CB 3.26Å; E403-S407 WeakPolarHBondContact O-CB 3.44Å; E403-S407 PolarHBondContact O-N 3.46Å; E403-S407 PolarHBondContact O-OG 3.41Å; T404-S407 WeakPolarHBondContact CA-OG 3.46Å; T404-S407 PolarHBondContact O-N 3.24Å; T404-S407 PolarHBondContact O-OG 3.05Å; S407-R410 PolarHBondContact O-N 3.12Å; S407-A411 WeakPolarHBondContact O-CB 3.49Å; S407-A411 PolarHBondContact O-N 2.7Å
408L51.2Low50.4Low62 Ų6275.3 Ų75.333%0.32540%0.396SS..Hα-helixtrans-68-38.8170.9-155.4142.5000110.4I337 T404 T405 A411 V412I337-L408 HydrophobicContact CD1-CD2 4.36Å; I337-L408 HydrophobicContact CG2-CD2 3.98Å; T404-L408 WeakPolarHBondContact O-CB 3.32Å; T404-L408 PolarHBondContact O-N 3.3Å; T405-L408 PolarHBondContact O-N 3.03Å; L408-A411 PolarHBondContact O-N 3.13Å; L408-V412 HydrophobicContact CD2-CG2 4.21Å; L408-V412 WeakPolarHBondContact O-CB 3.17Å; L408-V412 VanDerWaalsContact O-CG2 3.24Å; L408-V412 WeakPolarHBondContact O-CG2 2.99Å; L408-V412 PolarHBondContact O-N 3.39Å
409L52.8Low51.5Low9 Ų975.3 Ų75.35%0.04739%0.388CS..Hα-helixtrans-59.5-56.1167.4-78.6163.8000110.5I337 L385 T405 F406 A411 V412 L413 F469I337-L409 HydrophobicContact CD1-CD2 4.34Å; L385-L409 HydrophobicContact CD2-CD2 4.42Å; T405-L409 HydrophobicContact CG2-CD1 4.16Å; T405-L409 VanDerWaalsContact O-CB 3.29Å; T405-L409 WeakPolarHBondContact O-CB 3.46Å; T405-L409 WeakPolarHBondContact O-CD1 3.37Å; T405-L409 WeakPolarHBondContact O-CG 3.43Å; T405-L409 PolarHBondContact O-N 3.02Å; F406-L409 HydrophobicContact CD1-CD1 4.31Å; L409-A411 PolarHBondContact O-N 3.21Å; L409-V412 CarbonylContact O-C 3.02Å; L409-V412 PolarHBondContact O-N 3.44Å; L409-V412 VanDerWaalsContact O-N 3.12Å; L409-L413 HydrophobicContact CB-CD1 4.04Å; L409-L413 HydrophobicContact CB-CG 4.48Å; L409-L413 HydrophobicContact CD2-CD1 4.17Å; L409-L413 HydrophobicContact CD2-CG 4.47Å; L409-L413 WeakPolarHBondContact O-CA 3.48Å; L409-L413 WeakPolarHBondContact O-CB 3.22Å; L409-L413 WeakPolarHBondContact O-CG 3.29Å; L409-L413 PolarHBondContact O-N 2.86Å; L409-F469 HydrophobicContact CD1-CE1 3.77Å; L409-F469 HydrophobicContact CD1-CZ 4.24Å; L409-F469 HydrophobicContact CD2-CD1 3.51Å; L409-F469 HydrophobicContact CD2-CE1 3.26Å; L409-F469 HydrophobicContact CD2-CZ 4.15Å; L409-F469 HydrophobicContact CG-CE1 3.89Å; L409-F469 HydrophobicContact CG-CZ 4.42Å
410R55Low52.8Low147 Ų14772.7 Ų72.756%0.55537%0.365SS*.Hα-helixtrans-55.8-38.2178.4-77.5174.3178.2176.60.4112.3F406 S407 L413 N414F406-R410 WeakPolarHBondContact O-CB 3.05Å; F406-R410 VanDerWaalsContact O-CG 3.25Å; F406-R410 WeakPolarHBondContact O-CG 3.38Å; F406-R410 PolarHBondContact O-N 3.2Å; S407-R410 PolarHBondContact O-N 3.12Å; R410-L413 PolarHBondContact O-N 3.04Å; R410-N414 PolarHBondContact O-N 2.85Å
411A51.6Low54Low66 Ų6666.7 Ų66.755%0.54535%0.351SS..Hα-helixtrans-67.9-43.8176.700000112.6S407 L408 L409 L413 N414S407-A411 WeakPolarHBondContact O-CB 3.49Å; S407-A411 PolarHBondContact O-N 2.7Å; L408-A411 PolarHBondContact O-N 3.13Å; L409-A411 PolarHBondContact O-N 3.21Å; A411-L413 VanDerWaalsContact C-N 3.32Å; A411-N414 PolarHBondContact O-OD1 2.99Å
412V50.5Low55.4Low44 Ų4464.9 Ų64.927%0.26735%0.345SS..Hα-helixtrans-70.9-33.5173.9172.10000110.8I332 L408 L409 K471I332-V412 HydrophobicContact CD1-CG1 4.04Å; L408-V412 HydrophobicContact CD2-CG2 4.21Å; L408-V412 WeakPolarHBondContact O-CB 3.17Å; L408-V412 VanDerWaalsContact O-CG2 3.24Å; L408-V412 WeakPolarHBondContact O-CG2 2.99Å; L408-V412 PolarHBondContact O-N 3.39Å; L409-V412 CarbonylContact O-C 3.02Å; L409-V412 PolarHBondContact O-N 3.44Å; L409-V412 VanDerWaalsContact O-N 3.12Å; V412-K471 PolarHBondContact O-NZ 3.23Å
413L53.5Low56.4Low5 Ų564.4 Ų64.43%0.02635%0.347CS..Hα-helixtrans-82.4-25.5-171.1-67.2179.9000112.1C383 L409 R410 A411 S415 I419 K471C383-L413 HydrophobicContact CB-CD2 4.46Å; C383-L413 WeakPolarHBondContact SG-CD2 3.46Å; L409-L413 HydrophobicContact CB-CD1 4.04Å; L409-L413 HydrophobicContact CB-CG 4.48Å; L409-L413 HydrophobicContact CD2-CD1 4.17Å; L409-L413 HydrophobicContact CD2-CG 4.47Å; L409-L413 WeakPolarHBondContact O-CA 3.48Å; L409-L413 WeakPolarHBondContact O-CB 3.22Å; L409-L413 WeakPolarHBondContact O-CG 3.29Å; L409-L413 PolarHBondContact O-N 2.86Å; R410-L413 PolarHBondContact O-N 3.04Å; A411-L413 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.03Å; L413-I419 HydrophobicContact CD1-CD1 3.51Å; L413-I419 HydrophobicContact CD1-CG1 4.08Å; L413-K471 VanDerWaalsContact CA-NZ 3.27Å; L413-K471 HydrophobicContact CD2-CB 3.58Å; L413-K471 HydrophobicContact CD2-CD 3.38Å; L413-K471 HydrophobicContact CD2-CG 3.27Å; L413-K471 WeakPolarHBondContact O-CE 3.47Å; L413-K471 PolarHBondContact O-NZ 2.98Å
414N52.9Low57.6Low105 Ų10560.9 Ų60.956%0.56133%0.333SS*.  trans46.126.5-172.3-74.6-24000112.6R410 A411R410-N414 PolarHBondContact O-N 2.85Å; A411-N414 PolarHBondContact O-OD1 2.99Å
415S52.3Low58.7Low13 Ų1360 Ų609%0.09133%0.328CS..  trans-134.6131.2-177176.20000108.1L413L413-S415 PolarHBondContact O-N 3.03Å
416T48.6Very low60Low99 Ų9959.6 Ų59.661%0.60733%0.325SS*.SBendtrans-101.6-23.1-172.342.50000113.5
417E55.5Low61.1Low153 Ų15357.5 Ų57.572%0.71532%0.319SS*.SBendtrans-117.2-34.5-159.7-59.1-162.5162.900117.1
418K66Low62.1Low72 Ų7255.1 Ų55.131%0.31330%0.302SS..  trans-131.882.7-167.4-62.3179.2-174.1169.40113.1I317 F382 C383I317-K418 HydrophobicContact CD1-CD 4.16Å; I317-K418 HydrophobicContact CG2-CD 4.02Å; I317-K418 VanDerWaalsContact CG2-NZ 3.35Å; F382-K418 WeakPolarHBondContact CA-O 3.49Å; F382-K418 HydrophobicContact CB-CB 4.09Å; C383-K418 PolarHBondContact N-O 2.78Å
419I67.1Low63.2Low50 Ų5056.9 Ų56.926%0.25631%0.305SS..EExtended strand (participates in β ladder)trans-107.5115.5175.2-54171.5000109.2C383 L413 T421C383-I419 HydrophobicContact CB-CG1 4.29Å; C383-I419 CarbonylContact O-C 3.44Å; C383-I419 WeakPolarHBondContact O-CA 3.31Å; L413-I419 HydrophobicContact CD1-CD1 3.51Å; L413-I419 HydrophobicContact CD1-CG1 4.08Å; I419-T421 HydrophobicContact CG2-CG2 3.76Å
420F73.1Confident64.2Low58 Ų5857.8 Ų57.825%0.25431%0.314SS..EExtended strand (participates in β ladder)trans-94.8126.3171.3-62.9-88.2000109.2L300 P301 F382 C383 C384 L385L300-F420 HydrophobicContact CD2-CB 4.17Å; P301-F420 HydrophobicContact CB-CD1 3.69Å; P301-F420 HydrophobicContact CB-CD2 3.93Å; P301-F420 HydrophobicContact CB-CE1 3.7Å; P301-F420 HydrophobicContact CB-CE2 3.93Å; P301-F420 HydrophobicContact CB-CG 3.8Å; P301-F420 HydrophobicContact CB-CZ 3.81Å; P301-F420 HydrophobicContact CG-CB 4.07Å; P301-F420 HydrophobicContact CG-CD1 4.04Å; P301-F420 HydrophobicContact CG-CD2 3.53Å; P301-F420 HydrophobicContact CG-CE1 4.37Å; P301-F420 HydrophobicContact CG-CE2 3.89Å; P301-F420 HydrophobicContact CG-CG 3.6Å; P301-F420 HydrophobicContact CG-CZ 4.3Å; F382-F420 HydrophobicContact CB-CD2 4.32Å; F382-F420 HydrophobicContact CB-CE2 4.01Å; F382-F420 HydrophobicContact CD2-CD2 4.18Å; F382-F420 HydrophobicContact CD2-CE2 4.36Å; F382-F420 HydrophobicContact CG-CE2 4.35Å; C383-F420 PolarHBondContact O-N 3.28Å; C384-F420 CarbonylContact C-O 3.55Å; C384-F420 WeakPolarHBondContact CA-O 3.44Å; L385-F420 PolarHBondContact N-O 3.2Å
421T70.9Confident65.7Low76 Ų7651 Ų5147%0.46629%0.288SS..EExtended strand (participates in β ladder)trans-121.1145.5-176.865.10000111.8L385 I389 I419L385-T421 HydrophobicContact CB-CG2 4.26Å; L385-T421 HydrophobicContact CD2-CG2 4.28Å; L385-T421 CarbonylContact O-C 3.56Å; L385-T421 VanDerWaalsContact O-CA 3.25Å; L385-T421 WeakPolarHBondContact O-CA 3.45Å; I389-T421 HydrophobicContact CD1-CG2 3.81Å; I419-T421 HydrophobicContact CG2-CG2 3.76Å
422S72.9Confident67.4Low20 Ų2048.4 Ų48.414%0.1427%0.265CS..EExtended strand (participates in β ladder)trans-125.6131.5167.7-158.70000108.8L385 G387 N424L385-S422 PolarHBondContact O-N 2.75Å; G387-S422 PolarHBondContact N-O 2.85Å; S422-N424 PolarHBondContact O-N 2.83Å
423G67.5Low69.3Low25 Ų2546.4 Ų46.426%0.25825%0.253SS..SBendtrans-63.4-21.517100000113G387 E388 P425G387-G423 CarbonylContact C-O 3.56Å; G387-G423 CarbonylContact O-C 3.39Å; G387-G423 VanDerWaalsContact O-CA 3.23Å; G387-G423 WeakPolarHBondContact O-CA 3.22Å; E388-G423 WeakPolarHBondContact CA-O 3.38Å; E388-G423 WeakPolarHBondContact CG-O 3.25Å; E388-G423 PolarHBondContact N-O 3.29Å; G423-P425 WeakPolarHBondContact O-CD 3.36Å
424N71.4Confident70.7Confident61 Ų6149.7 Ų49.733%0.32627%0.27SS..SBendtrans-85.8119.7-175.1-64.6-15.8000110.2S422S422-N424 PolarHBondContact O-N 2.83Å
425P69.6Low72.1Confident44 Ų4444.7 Ų44.729%0.28624%0.243SC..PPolyproline II helixtrans-66.3156.8173.426.8-32.4000111.3G423 S427 K468G423-P425 WeakPolarHBondContact O-CD 3.36Å; P425-S427 PolarHBondContact O-N 2.72Å; P425-K468 HydrophobicContact CB-CD 3.46Å; P425-K468 VanDerWaalsContact CB-CD 3.46Å; P425-K468 VanDerWaalsContact CB-CE 3.49Å; P425-K468 HydrophobicContact CB-CG 4.22Å
426I73.9Confident73.2Confident10 Ų1045.8 Ų45.85%0.05125%0.248CC..PPolyproline II helixtrans-66130.8165.2-56.9174.1000108M27 V293 T297 K386 K468 L470M27-I426 HydrophobicContact CG-CG2 4.3Å; M27-I426 HydrophobicContact SD-CG2 4.14Å; V293-I426 HydrophobicContact CB-CD1 4.27Å; V293-I426 HydrophobicContact CG1-CD1 3.67Å; V293-I426 HydrophobicContact CG2-CD1 4.28Å; V293-I426 HydrophobicContact CG2-CG2 4.31Å; T297-I426 WeakPolarHBondContact OG1-CD1 3.01Å; K386-I426 HydrophobicContact CB-CG1 4.29Å; K386-I426 HydrophobicContact CD-CG1 3.91Å; I426-K468 PolarHBondContact O-NZ 2.61Å; I426-L470 HydrophobicContact CD1-CD1 3.78Å; I426-L470 HydrophobicContact CD1-CD2 4.13Å
427S73.9Confident73.9Confident28 Ų2843.1 Ų43.120%0.19623%0.233CC..PPolyproline II helixtrans-77.4136.6173.2171.30000110.1E30 P425 R429E30-S427 PolarHBondContact OE1-OG 3.33Å; E30-S427 WeakPolarHBondContact OE2-CB 3.47Å; E30-S427 PolarHBondContact OE2-OG 3.3Å; P425-S427 PolarHBondContact O-N 2.72Å; S427-R429 PolarHBondContact OG-N 2.96Å
428T73Confident73.7Confident10 Ų1038.9 Ų38.96%0.06122%0.22CC..  trans-116.718.8177.551.50000110.5Y333 F432 L436 T445Y333-T428 WeakPolarHBondContact OH-CG2 3.25Å; T428-F432 HydrophobicContact CG2-CD1 4.01Å; T428-F432 HydrophobicContact CG2-CE1 4.02Å; T428-F432 HydrophobicContact CG2-CG 4.47Å; T428-F432 HydrophobicContact CG2-CZ 4.48Å; T428-L436 HydrophobicContact CG2-CD1 4.19Å; T428-T445 CarbonylContact C-O 3.35Å; T428-T445 VanDerWaalsContact C-O 3.25Å; T428-T445 VanDerWaalsContact O-O 3.1Å; T428-T445 PolarHBondContact OG1-O 3.3Å
429R74.4Confident72.6Confident100 Ų10044.6 Ų44.638%0.37725%0.248SC..  trans-67.5164.3173.8-72.1177.2172.6177-3110.2E30 S427 F432 T446E30-R429 VanDerWaalsContact OE1-CB 3.26Å; E30-R429 WeakPolarHBondContact OE1-CB 3Å; S427-R429 PolarHBondContact OG-N 2.96Å; R429-F432 WeakPolarHBondContact O-CB 3.34Å; R429-F432 PolarHBondContact O-N 3.22Å; R429-T446 HydrophobicContact CG-CG2 4.37Å
430A74.9Confident71.4Confident28 Ų2849.8 Ų49.823%0.23127%0.271CS..THydrogen-bonded Turntrans-57.2134.8177.100000110.8F106 Y121F106-A430 HydrophobicContact CD2-CB 4.2Å; F106-A430 HydrophobicContact CE2-CB 4.25Å; Y121-A430 HydrophobicContact CD2-CB 3.4Å; Y121-A430 VanDerWaalsContact CD2-CB 3.4Å; Y121-A430 HydrophobicContact CE2-CB 3.9Å; Y121-A430 HydrophobicContact CG-CB 4.47Å
431P86.6Confident69.8Low3 Ų349 Ų492%0.01927%0.269CS..THydrogen-bonded Turncis-104.840.714.840.5-34000112.8H23 N26 F106 L123 F133 Y285H23-P431 PolarHBondContact CE1-O 3.34Å; N26-P431 VanDerWaalsContact ND2-CG 3.29Å; N26-P431 WeakPolarHBondContact ND2-CG 3.35Å; F106-P431 HydrophobicContact CD1-CB 4.06Å; F106-P431 HydrophobicContact CD2-CB 4.2Å; F106-P431 HydrophobicContact CE1-CB 3.78Å; F106-P431 HydrophobicContact CE1-CG 3.82Å; F106-P431 HydrophobicContact CE2-CB 3.92Å; F106-P431 HydrophobicContact CE2-CG 4.16Å; F106-P431 HydrophobicContact CG-CB 4.27Å; F106-P431 HydrophobicContact CZ-CB 3.71Å; F106-P431 HydrophobicContact CZ-CG 3.58Å; L123-P431 HydrophobicContact CD1-CB 3.85Å; F133-P431 HydrophobicContact CB-CB 3.97Å; F133-P431 HydrophobicContact CB-CG 4.16Å; F133-P431 HydrophobicContact CD2-CG 4.31Å; F133-P431 WeakPolarHBondContact O-CG 3.37Å; Y285-P431 WeakPolarHBondContact CE2-O 3.26Å; Y285-P431 PolarHBondContact OH-O 2.75Å
432F87.3Confident68.3Low13 Ų1349.6 Ų49.66%0.05727%0.266CS..SBendtrans-67.3139.5166-167.6-92.8000109.7M27 A289 V293 Y333 T428 R429 I435M27-F432 HydrophobicContact CE-CD2 3.68Å; M27-F432 HydrophobicContact CE-CE2 3.54Å; A289-F432 HydrophobicContact CB-CD2 4.15Å; A289-F432 HydrophobicContact CB-CE2 3.69Å; A289-F432 HydrophobicContact CB-CZ 4.13Å; V293-F432 HydrophobicContact CG2-CE2 3.82Å; V293-F432 HydrophobicContact CG2-CZ 4.12Å; Y333-F432 HydrophobicContact CE1-CZ 4.43Å; T428-F432 HydrophobicContact CG2-CD1 4.01Å; T428-F432 HydrophobicContact CG2-CE1 4.02Å; T428-F432 HydrophobicContact CG2-CG 4.47Å; T428-F432 HydrophobicContact CG2-CZ 4.48Å; R429-F432 WeakPolarHBondContact O-CB 3.34Å; R429-F432 PolarHBondContact O-N 3.22Å; F432-I435 HydrophobicContact CE1-CD1 4.13Å; F432-I435 HydrophobicContact CE1-CG1 3.92Å; F432-I435 HydrophobicContact CZ-CD1 4.2Å; F432-I435 HydrophobicContact CZ-CG1 4.48Å
433P89.4Confident66.6Low2 Ų250.6 Ų50.61%0.01327%0.27CS..  trans-68.5146.6-177.731-38.9000111.6Y285 A289 I435Y285-P433 HydrophobicContact CD1-CB 4.04Å; Y285-P433 HydrophobicContact CE1-CB 3.6Å; A289-P433 VanDerWaalsContact CB-CD 3.49Å; A289-P433 HydrophobicContact CB-CG 3.49Å; A289-P433 VanDerWaalsContact CB-CG 3.49Å; P433-I435 HydrophobicContact CB-CG2 3.95Å; P433-I435 HydrophobicContact CG-CD1 4.22Å; P433-I435 HydrophobicContact CG-CG1 4.26Å; P433-I435 HydrophobicContact CG-CG2 4.14Å; P433-I435 PolarHBondContact O-N 2.76Å
434L83.3Confident65.4Low74 Ų7449.9 Ų49.939%0.38726%0.261SS..SBendtrans-78.266.1-179.8-59.2172.9000111.2V120V120-L434 HydrophobicContact CG1-CD1 3.37Å; V120-L434 HydrophobicContact CG1-CD2 4.06Å; V120-L434 HydrophobicContact CG1-CG 4.34Å
435I82.8Confident63.8Low0 Ų048.4 Ų48.40%026%0.255CS..  trans-103-4-175.258.4171.2000113.8L277 N278 H286 I290 F432 P433L277-I435 CarbonylContact C-O 3.52Å; L277-I435 VanDerWaalsContact CA-O 3.22Å; L277-I435 WeakPolarHBondContact CA-O 3.39Å; L277-I435 HydrophobicContact CD1-CD1 4.41Å; L277-I435 HydrophobicContact CD2-CD1 4.15Å; L277-I435 HydrophobicContact CD2-CG1 4.11Å; N278-I435 PolarHBondContact N-O 2.86Å; H286-I435 HydrophobicContact CB-CG2 4.29Å; H286-I435 WeakPolarHBondContact ND1-CG2 3.14Å; I290-I435 HydrophobicContact CD1-CD1 3.93Å; I290-I435 HydrophobicContact CG1-CD1 3.68Å; F432-I435 HydrophobicContact CE1-CD1 4.13Å; F432-I435 HydrophobicContact CE1-CG1 3.92Å; F432-I435 HydrophobicContact CZ-CD1 4.2Å; F432-I435 HydrophobicContact CZ-CG1 4.48Å; P433-I435 HydrophobicContact CB-CG2 3.95Å; P433-I435 HydrophobicContact CG-CD1 4.22Å; P433-I435 HydrophobicContact CG-CG1 4.26Å; P433-I435 HydrophobicContact CG-CG2 4.14Å; P433-I435 PolarHBondContact O-N 2.76Å
436L75.2Confident62.5Low36 Ų3647.8 Ų47.819%0.18825%0.25CC..BIsolated β-bridgetrans-75.6125.4176.8-63.1175.8000109.6L277 P334 T428 S438 L443L277-L436 HydrophobicContact CD2-CD2 3.69Å; P334-L436 HydrophobicContact CB-CD2 4.27Å; P334-L436 HydrophobicContact CG-CD2 3.83Å; T428-L436 HydrophobicContact CG2-CD1 4.19Å; L436-S438 PolarHBondContact O-N 3.36Å; L436-L443 HydrophobicContact CB-CD1 3.98Å
437C62.9Low60.8Low43 Ų4347.7 Ų47.729%0.29125%0.251SS..  trans-67.2113.6177.9-65.50000110.8H276 N278H276-C437 VanDerWaalsContact C-SG 3.58Å; H276-C437 PolarHBondContact O-N 2.84Å; N278-C437 PolarHBondContact N-SG 3.28Å; N278-C437 VanDerWaalsContact N-SG 3.43Å
438S51.4Low59Low64 Ų6447.7 Ų47.745%0.44825%0.248SC..  trans-82.9-25.8176.660.60000113.9L436 Q440 I441 E442L436-S438 PolarHBondContact O-N 3.36Å; S438-Q440 VanDerWaalsContact C-N 3.35Å; S438-Q440 PolarHBondContact O-N 3.11Å; S438-I441 CarbonylContact C-O 3.51Å; S438-I441 CarbonylContact O-C 3.58Å; S438-I441 PolarHBondContact O-N 3.38Å; S438-I441 VanDerWaalsContact O-N 3.11Å; S438-E442 WeakPolarHBondContact O-CA 3.35Å; S438-E442 PolarHBondContact O-N 3.44Å
439E42.8Very low57.4Low192 Ų19249.5 Ų49.590%0.89726%0.257SS*.SBendtrans-70.9-23.5-164.6-69.7-174.9170.700115.1
440Q41.6Very low55.8Low158 Ų15848.9 Ų48.974%0.73825%0.254SS*.SBendtrans-87.4-24.9172.8-72.1-165.3-19.700112S438S438-Q440 VanDerWaalsContact C-N 3.35Å; S438-Q440 PolarHBondContact O-N 3.11Å
441I41.1Very low53.9Low43 Ų4354.5 Ų54.522%0.22128%0.281CS..SBendtrans-161.7111.1-174.6-37.5175.4000106.9S438 L443 I449S438-I441 CarbonylContact C-O 3.51Å; S438-I441 CarbonylContact O-C 3.58Å; S438-I441 PolarHBondContact O-N 3.38Å; S438-I441 VanDerWaalsContact O-N 3.11Å; I441-L443 PolarHBondContact O-N 2.88Å; I441-I449 HydrophobicContact CB-CB 4.47Å; I441-I449 HydrophobicContact CB-CD1 4.22Å; I441-I449 HydrophobicContact CB-CG1 3.9Å; I441-I449 HydrophobicContact CB-CG2 4.41Å; I441-I449 HydrophobicContact CD1-CD1 3.66Å; I441-I449 HydrophobicContact CD1-CG1 4.32Å; I441-I449 HydrophobicContact CG1-CD1 4.47Å; I441-I449 HydrophobicContact CG2-CB 3.41Å; I441-I449 VanDerWaalsContact CG2-CB 3.41Å; I441-I449 HydrophobicContact CG2-CD1 3.67Å; I441-I449 HydrophobicContact CG2-CG1 3.28Å; I441-I449 HydrophobicContact CG2-CG2 3.02Å
442E37.4Very low51.2Low87 Ų8758.1 Ų58.141%0.40731%0.31SS..EExtended strand (participates in β ladder)trans-56.790.5-173-79.2-177175.300110.7S438 H448 I449 R450S438-E442 WeakPolarHBondContact O-CA 3.35Å; S438-E442 PolarHBondContact O-N 3.44Å; E442-H448 CarbonylContact C-O 3.2Å; E442-H448 CarbonylContact O-C 3.56Å; E442-I449 CarbonylContact O-C 3.59Å; E442-R450 HydrophobicContact CB-CB 3.82Å; E442-R450 PolarHBondContact O-N 2.65Å
443L38.6Very low48.5Very low41 Ų4161.4 Ų61.422%0.21534%0.335CS..EExtended strand (participates in β ladder)trans-78.8121.9178.1-75.9163.4000109.7L436 I441 G447 H448 I449L436-L443 HydrophobicContact CB-CD1 3.98Å; I441-L443 PolarHBondContact O-N 2.88Å; L443-G447 VanDerWaalsContact CD2-C 3.48Å; L443-G447 VanDerWaalsContact CD2-O 3.23Å; L443-G447 WeakPolarHBondContact CD2-O 3.01Å; L443-H448 CarbonylContact C-O 3.46Å; L443-H448 WeakPolarHBondContact CA-O 3.26Å; L443-I449 HydrophobicContact CD2-CG1 3.81Å; L443-I449 HydrophobicContact CG-CG1 4.45Å
444S40.8Very low45.7Very low11 Ų1164.8 Ų64.88%0.07736%0.359CS..  trans-64.7169.6167.670.40000111.6T446 G447 H448S444-T446 PolarHBondContact O-N 3.48Å; S444-T446 PolarHBondContact OG-N 2.78Å; S444-T446 PolarHBondContact OG-OG1 2.85Å; S444-G447 VanDerWaalsContact O-CA 3.29Å; S444-G447 WeakPolarHBondContact O-CA 3.16Å; S444-G447 PolarHBondContact O-N 3.42Å; S444-G447 PolarHBondContact OG-N 3Å; S444-H448 PolarHBondContact N-O 3.02Å; S444-H448 WeakPolarHBondContact OG-CB 3.41Å; S444-H448 PolarHBondContact OG-CD2 3.14Å; S444-H448 VanDerWaalsContact OG-CG 3.28Å; S444-H448 PolarHBondContact OG-N 2.9Å
445T39.2Very low43.3Very low30 Ų3067.6 Ų67.618%0.18437%0.374CS..THydrogen-bonded Turntrans-57.2-25.3170.545.80000113.6V120 T428 G447V120-T445 HydrophobicContact CG2-CG2 3.52Å; T428-T445 CarbonylContact C-O 3.35Å; T428-T445 VanDerWaalsContact C-O 3.25Å; T428-T445 VanDerWaalsContact O-O 3.1Å; T428-T445 PolarHBondContact OG1-O 3.3Å; T445-G447 VanDerWaalsContact C-N 3.33Å
446T41.5Very low40.7Very low31 Ų3172.2 Ų72.219%0.1941%0.412CS..THydrogen-bonded Turntrans-87.1-0.6171.151.20000113.5R429 S444 H448 K468R429-T446 HydrophobicContact CG-CG2 4.37Å; S444-T446 PolarHBondContact O-N 3.48Å; S444-T446 PolarHBondContact OG-N 2.78Å; S444-T446 PolarHBondContact OG-OG1 2.85Å; T446-H448 PolarHBondContact OG1-CD2 3.39Å; T446-H448 PolarHBondContact OG1-NE2 3.47Å; T446-K468 WeakPolarHBondContact O-CE 3.4Å; T446-K468 PolarHBondContact O-NZ 3.12Å
447G39.1Very low38.6Very low7 Ų775.7 Ų75.77%0.07243%0.434CS..  trans86.432.4178.400000115L443 S444 T445 L466L443-G447 VanDerWaalsContact CD2-C 3.48Å; L443-G447 VanDerWaalsContact CD2-O 3.23Å; L443-G447 WeakPolarHBondContact CD2-O 3.01Å; S444-G447 VanDerWaalsContact O-CA 3.29Å; S444-G447 WeakPolarHBondContact O-CA 3.16Å; S444-G447 PolarHBondContact O-N 3.42Å; S444-G447 PolarHBondContact OG-N 3Å; T445-G447 VanDerWaalsContact C-N 3.33Å; G447-L466 WeakPolarHBondContact O-CD1 3.39Å
448H36.6Very low37Very low28 Ų2878.9 Ų78.913%0.1345%0.448CS..  trans-89.6116.8179.1-63-48000114E442 L443 S444 T446 R450 N463 L466E442-H448 CarbonylContact C-O 3.2Å; E442-H448 CarbonylContact O-C 3.56Å; L443-H448 CarbonylContact C-O 3.46Å; L443-H448 WeakPolarHBondContact CA-O 3.26Å; S444-H448 PolarHBondContact N-O 3.02Å; S444-H448 WeakPolarHBondContact OG-CB 3.41Å; S444-H448 PolarHBondContact OG-CD2 3.14Å; S444-H448 VanDerWaalsContact OG-CG 3.28Å; S444-H448 PolarHBondContact OG-N 2.9Å; T446-H448 PolarHBondContact OG1-CD2 3.39Å; T446-H448 PolarHBondContact OG1-NE2 3.47Å; H448-R450 HydrophobicContact CB-CG 4.49Å; H448-R450 PolarHBondContact O-N 3.37Å; H448-N463 WeakPolarHBondContact CE1-CB 3.22Å; H448-N463 PolarHBondContact CE1-O 3.4Å; H448-N463 PolarHBondContact ND1-O 3.11Å; H448-N463 WeakPolarHBondContact NE2-CB 3.23Å; H448-L466 HydrophobicContact CB-CD1 4.3Å
449I38.9Very low36.2Very low48 Ų4879 Ų7925%0.24645%0.449CS..EExtended strand (participates in β ladder)trans-56.8114158.6-70.3-178.3000108.9C336 I441 E442 L443 L466C336-I449 HydrophobicContact CB-CD1 4.4Å; C336-I449 VanDerWaalsContact SG-CD1 3.6Å; I441-I449 HydrophobicContact CB-CB 4.47Å; I441-I449 HydrophobicContact CB-CD1 4.22Å; I441-I449 HydrophobicContact CB-CG1 3.9Å; I441-I449 HydrophobicContact CB-CG2 4.41Å; I441-I449 HydrophobicContact CD1-CD1 3.66Å; I441-I449 HydrophobicContact CD1-CG1 4.32Å; I441-I449 HydrophobicContact CG1-CD1 4.47Å; I441-I449 HydrophobicContact CG2-CB 3.41Å; I441-I449 VanDerWaalsContact CG2-CB 3.41Å; I441-I449 HydrophobicContact CG2-CD1 3.67Å; I441-I449 HydrophobicContact CG2-CG1 3.28Å; I441-I449 HydrophobicContact CG2-CG2 3.02Å; E442-I449 CarbonylContact O-C 3.59Å; L443-I449 HydrophobicContact CD2-CG1 3.81Å; L443-I449 HydrophobicContact CG-CG1 4.45Å; I449-L466 HydrophobicContact CB-CD1 3.69Å; I449-L466 HydrophobicContact CB-CD2 4.04Å; I449-L466 HydrophobicContact CB-CG 4.28Å; I449-L466 HydrophobicContact CD1-CD2 3.3Å; I449-L466 HydrophobicContact CD1-CG 4.39Å; I449-L466 HydrophobicContact CG1-CD1 3.95Å; I449-L466 HydrophobicContact CG1-CD2 3.5Å; I449-L466 HydrophobicContact CG1-CG 4.25Å
450R40.4Very low35.8Very low88 Ų8873.4 Ų73.433%0.33244%0.436SS..EExtended strand (participates in β ladder)trans-105.2143.8174.3-65176.7172.1163.3-4.7111.2E442 H448E442-R450 HydrophobicContact CB-CB 3.82Å; E442-R450 PolarHBondContact O-N 2.65Å; H448-R450 HydrophobicContact CB-CG 4.49Å; H448-R450 PolarHBondContact O-N 3.37Å
451D33.8Very low35.4Very low146 Ų14673.2 Ų73.278%0.78144%0.435SS*.  trans-78.8138.9154.8-153.5-9.1000106.9S453D451-S453 PolarHBondContact O-N 3.27Å
452A31.8Very low35.1Very low78 Ų7878.2 Ų78.265%0.64546%0.455SS*.SBendtrans-66.720.2-161.700000116.5
453S30Very low34.9Very low82 Ų8277 Ų7757%0.57345%0.451SS*.SBendtrans-105.588.3-173.151.50000112.8D451D451-S453 PolarHBondContact O-N 3.27Å
454S30.1Very low34.6Very low74 Ų7477.9 Ų77.952%0.51746%0.456SS..  trans58.8106.7159.985.10000117.7A456 T457S454-A456 PolarHBondContact O-N 2.78Å; S454-T457 PolarHBondContact OG-OG1 2.79Å
455L32.9Very low34.4Very low133 Ų13381.9 Ų81.970%0.69647%0.473SS*.THydrogen-bonded Turntrans-51.7-25.8172.9-108.394000115.7T457L455-T457 PolarHBondContact O-N 3.41Å
456A28.9Very low34.2Very low97 Ų9781.8 Ų81.880%0.80247%0.472SS*.THydrogen-bonded Turntrans-86.4-5.6-158.400000115S454S454-A456 PolarHBondContact O-N 2.78Å
457T30.3Very low34Very low108 Ų10881 Ų8166%0.66347%0.466SS*.SBendtrans-125.88.3-163.154.30000115.9S454 L455S454-T457 PolarHBondContact OG-OG1 2.79Å; L455-T457 PolarHBondContact O-N 3.41Å
458L29.4Very low34.2Very low110 Ų11082.5 Ų82.558%0.57647%0.471SS*.  trans-112139.1-174.1-75.5163.9000114.4K462L458-K462 HydrophobicContact CD2-CD 3.79Å
459S35.1Very low34.5Very low66 Ų6681.5 Ų81.546%0.46247%0.466SS..  trans-83.2155.7179.464.20000113E461 K462S459-E461 PolarHBondContact O-N 2.72Å; S459-E461 VanDerWaalsContact O-N 3.09Å; S459-K462 PolarHBondContact O-N 3.27Å
460A34.3Very low34.9Very low76 Ų7679.3 Ų79.363%0.62846%0.455SS*.G310 helixtrans-56.3-25.5-177.500000114.9K462 N463A460-K462 PolarHBondContact O-N 3.2Å; A460-N463 WeakPolarHBondContact O-CB 3.07Å; A460-N463 PolarHBondContact O-N 2.88Å
461E34Very low35.1Very low154 Ų15475.6 Ų75.672%0.7244%0.441SS*.G310 helixtrans-71.8-25-177.8-67.4174.8165.800113.6S459 N463S459-E461 PolarHBondContact O-N 2.72Å; S459-E461 VanDerWaalsContact O-N 3.09Å; E461-N463 VanDerWaalsContact C-N 3.35Å
462K34.8Very low35.7Very low147 Ų14768.7 Ų68.764%0.63940%0.404SS*.G310 helixtrans-85.2-7.2179.1-78.5-176.4174.8-179.10113.9L458 S459 A460 L464L458-K462 HydrophobicContact CD2-CD 3.79Å; S459-K462 PolarHBondContact O-N 3.27Å; A460-K462 PolarHBondContact O-N 3.2Å; K462-L464 PolarHBondContact O-N 3.5Å
463N32.9Very low36.5Very low62 Ų6265.3 Ų65.333%0.33238%0.376SS..G310 helixtrans-68.2-12-179-78.4-19.8000113.8H448 A460 E461 E465H448-N463 WeakPolarHBondContact CE1-CB 3.22Å; H448-N463 PolarHBondContact CE1-O 3.4Å; H448-N463 PolarHBondContact ND1-O 3.11Å; H448-N463 WeakPolarHBondContact NE2-CB 3.23Å; A460-N463 WeakPolarHBondContact O-CB 3.07Å; A460-N463 PolarHBondContact O-N 2.88Å; E461-N463 VanDerWaalsContact C-N 3.35Å; N463-E465 PolarHBondContact O-N 3.43Å
464L32.6Very low37.5Very low59 Ų5961.5 Ų61.531%0.30935%0.349SS..G310 helixtrans-89.94.3-158.7-56.6165.3000115.3E388 K462 L466E388-L464 HydrophobicContact CG-CD2 4.45Å; E388-L464 VanDerWaalsContact OE1-CD2 3.3Å; E388-L464 WeakPolarHBondContact OE1-CD2 3.41Å; E388-L464 WeakPolarHBondContact OE2-CD2 3.38Å; K462-L464 PolarHBondContact O-N 3.5Å; L464-L466 VanDerWaalsContact C-N 3.28Å; L464-L466 PolarHBondContact O-N 3.11Å
465E34.7Very low38.5Very low95 Ų9558.4 Ų58.444%0.44433%0.327SS..G310 helixtrans-81.64.8-171.4-64.5-158.1155.200115.6R342 R395 N463 L467R342-E465 IonicContact CZ-OE2 3.77Å; R342-E465 IonicContact NH1-OE1 3.71Å; R342-E465 IonicContact NH1-OE2 2.72Å; R342-E465 PolarHBondContact NH1-OE2 2.72Å; R342-E465 IonicContact NH2-OE1 3.72Å; R342-E465 IonicContact NH2-OE2 3.97Å; R395-E465 IonicContact NH1-OE1 2.96Å; R395-E465 PolarHBondContact NH1-OE1 3.07Å; N463-E465 PolarHBondContact O-N 3.43Å; E465-L467 PolarHBondContact O-N 3.3Å
466L36.3Very low39.1Very low29 Ų2952.1 Ų52.115%0.15229%0.294CS..  trans-10191171.4-75.2132.9000112G447 H448 I449 L464 K468G447-L466 WeakPolarHBondContact O-CD1 3.39Å; H448-L466 HydrophobicContact CB-CD1 4.3Å; I449-L466 HydrophobicContact CB-CD1 3.69Å; I449-L466 HydrophobicContact CB-CD2 4.04Å; I449-L466 HydrophobicContact CB-CG 4.28Å; I449-L466 HydrophobicContact CD1-CD2 3.3Å; I449-L466 HydrophobicContact CD1-CG 4.39Å; I449-L466 HydrophobicContact CG1-CD1 3.95Å; I449-L466 HydrophobicContact CG1-CD2 3.5Å; I449-L466 HydrophobicContact CG1-CG 4.25Å; L464-L466 VanDerWaalsContact C-N 3.28Å; L464-L466 PolarHBondContact O-N 3.11Å; L466-K468 WeakPolarHBondContact O-CG 3.48Å; L466-K468 PolarHBondContact O-N 3.26Å
467L36.8Very low40Very low13 Ų1348 Ų487%0.06826%0.259CS..  trans-40.484141.1-81162.8000111.4I337 V392 E465 F469I337-L467 WeakPolarHBondContact O-CD1 3.37Å; V392-L467 HydrophobicContact CB-CD2 4.39Å; V392-L467 HydrophobicContact CG1-CD1 4.44Å; V392-L467 HydrophobicContact CG2-CD1 3.75Å; V392-L467 HydrophobicContact CG2-CD2 3.59Å; V392-L467 HydrophobicContact CG2-CG 3.69Å; E465-L467 PolarHBondContact O-N 3.3Å; L467-F469 VanDerWaalsContact C-N 3.25Å; L467-F469 HydrophobicContact CB-CD2 3.66Å; L467-F469 HydrophobicContact CB-CE2 3.44Å; L467-F469 VanDerWaalsContact CB-CE2 3.44Å; L467-F469 HydrophobicContact CB-CZ 4.46Å; L467-F469 HydrophobicContact CD1-CE2 3.8Å; L467-F469 HydrophobicContact CD1-CZ 4.5Å; L467-F469 HydrophobicContact CD2-CD2 4.1Å; L467-F469 HydrophobicContact CD2-CE1 4.4Å; L467-F469 HydrophobicContact CD2-CE2 3.2Å; L467-F469 HydrophobicContact CD2-CZ 3.39Å; L467-F469 HydrophobicContact CG-CD2 4.35Å; L467-F469 HydrophobicContact CG-CE2 3.62Å; L467-F469 HydrophobicContact CG-CZ 4.28Å; L467-F469 PolarHBondContact O-N 2.98Å
468K43.7Very low40.4Very low39 Ų3944.1 Ų44.117%0.1724%0.236CC..EExtended strand (participates in β ladder)trans-71.585.4166.5-56.7-165.5-166.8-1790106.5P425 I426 T446 L466 L470P425-K468 HydrophobicContact CB-CD 3.46Å; P425-K468 VanDerWaalsContact CB-CD 3.46Å; P425-K468 VanDerWaalsContact CB-CE 3.49Å; P425-K468 HydrophobicContact CB-CG 4.22Å; I426-K468 PolarHBondContact O-NZ 2.61Å; T446-K468 WeakPolarHBondContact O-CE 3.4Å; T446-K468 PolarHBondContact O-NZ 3.12Å; L466-K468 WeakPolarHBondContact O-CG 3.48Å; L466-K468 PolarHBondContact O-N 3.26Å; K468-L470 PolarHBondContact O-N 3.17Å
469F42.4Very low40.8Very low7 Ų743.5 Ų43.53%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-76.9122.7174.4-79.1-82.9000108.9T335 I337 L385 T405 L409 L467T335-F469 HydrophobicContact CG2-CB 3.42Å; T335-F469 VanDerWaalsContact CG2-CB 3.42Å; T335-F469 WeakPolarHBondContact CG2-O 3.26Å; T335-F469 PolarHBondContact O-N 3.1Å; I337-F469 HydrophobicContact CB-CD2 3.52Å; I337-F469 HydrophobicContact CB-CE2 3.49Å; I337-F469 VanDerWaalsContact CB-CE2 3.49Å; I337-F469 HydrophobicContact CD1-CB 4.04Å; I337-F469 HydrophobicContact CD1-CD1 3.82Å; I337-F469 HydrophobicContact CD1-CD2 3.28Å; I337-F469 HydrophobicContact CD1-CE1 4.09Å; I337-F469 HydrophobicContact CD1-CE2 3.49Å; I337-F469 VanDerWaalsContact CD1-CE2 3.49Å; I337-F469 HydrophobicContact CD1-CG 3.43Å; I337-F469 VanDerWaalsContact CD1-CG 3.43Å; I337-F469 HydrophobicContact CD1-CZ 3.92Å; I337-F469 HydrophobicContact CG1-CB 4.19Å; I337-F469 HydrophobicContact CG1-CD2 3.27Å; I337-F469 HydrophobicContact CG1-CE2 3.68Å; I337-F469 HydrophobicContact CG1-CG 3.81Å; I337-F469 HydrophobicContact CG2-CE2 4.24Å; L385-F469 HydrophobicContact CD1-CB 4.22Å; L385-F469 HydrophobicContact CD1-CD1 3.43Å; L385-F469 VanDerWaalsContact CD1-CD1 3.43Å; L385-F469 HydrophobicContact CD1-CE1 4.17Å; L385-F469 HydrophobicContact CD1-CG 4.17Å; L385-F469 HydrophobicContact CD2-CD1 3.71Å; L385-F469 HydrophobicContact CD2-CE1 3.6Å; L385-F469 HydrophobicContact CG-CD1 4.21Å; T405-F469 HydrophobicContact CG2-CZ 4.34Å; L409-F469 HydrophobicContact CD1-CE1 3.77Å; L409-F469 HydrophobicContact CD1-CZ 4.24Å; L409-F469 HydrophobicContact CD2-CD1 3.51Å; L409-F469 HydrophobicContact CD2-CE1 3.26Å; L409-F469 HydrophobicContact CD2-CZ 4.15Å; L409-F469 HydrophobicContact CG-CE1 3.89Å; L409-F469 HydrophobicContact CG-CZ 4.42Å; L467-F469 VanDerWaalsContact C-N 3.25Å; L467-F469 HydrophobicContact CB-CD2 3.66Å; L467-F469 HydrophobicContact CB-CE2 3.44Å; L467-F469 VanDerWaalsContact CB-CE2 3.44Å; L467-F469 HydrophobicContact CB-CZ 4.46Å; L467-F469 HydrophobicContact CD1-CE2 3.8Å; L467-F469 HydrophobicContact CD1-CZ 4.5Å; L467-F469 HydrophobicContact CD2-CD2 4.1Å; L467-F469 HydrophobicContact CD2-CE1 4.4Å; L467-F469 HydrophobicContact CD2-CE2 3.2Å; L467-F469 HydrophobicContact CD2-CZ 3.39Å; L467-F469 HydrophobicContact CG-CD2 4.35Å; L467-F469 HydrophobicContact CG-CE2 3.62Å; L467-F469 HydrophobicContact CG-CZ 4.28Å; L467-F469 PolarHBondContact O-N 2.98Å
470L47.5Very low40.8Very low3 Ų343 Ų432%0.01623%0.232CC..  trans-121.3104.7167.4-122.3113.3000105.6V293 T297 L331 I332 Y333 L385 I426 K468 L472V293-L470 HydrophobicContact CG1-CD1 4.04Å; V293-L470 HydrophobicContact CG1-CD2 3.73Å; V293-L470 HydrophobicContact CG1-CG 4.45Å; T297-L470 HydrophobicContact CG2-CD2 3.97Å; L331-L470 HydrophobicContact CD1-CD2 3.26Å; L331-L470 HydrophobicContact CD1-CG 3.86Å; I332-L470 WeakPolarHBondContact O-CA 3.43Å; Y333-L470 HydrophobicContact CD2-CD1 3.31Å; Y333-L470 HydrophobicContact CD2-CG 4.31Å; Y333-L470 HydrophobicContact CE2-CD1 4.06Å; Y333-L470 HydrophobicContact CG-CD1 3.95Å; L385-L470 VanDerWaalsContact CA-O 3.29Å; L385-L470 WeakPolarHBondContact CA-O 3.39Å; L385-L470 VanDerWaalsContact CD1-N 3.29Å; L385-L470 WeakPolarHBondContact CD1-O 3.45Å; I426-L470 HydrophobicContact CD1-CD1 3.78Å; I426-L470 HydrophobicContact CD1-CD2 4.13Å; K468-L470 PolarHBondContact O-N 3.17Å; L470-L472 HydrophobicContact CD2-CD1 4.21Å; L470-L472 HydrophobicContact CD2-CG 4.16Å
471K44Very low40.7Very low10 Ų1043.4 Ų43.44%0.04323%0.228CC..  trans-85.3120.6161.2171.6-171.2-157.7-176.50105.7N330 I332 E355 V412 L413 T473N330-K471 VanDerWaalsContact O-O 3.06Å; I332-K471 HydrophobicContact CB-CB 4.02Å; I332-K471 HydrophobicContact CD1-CB 3.5Å; I332-K471 HydrophobicContact CD1-CD 3.51Å; I332-K471 HydrophobicContact CD1-CG 4.05Å; I332-K471 HydrophobicContact CG1-CB 3.73Å; I332-K471 HydrophobicContact CG1-CD 4.23Å; I332-K471 HydrophobicContact CG1-CG 4.4Å; I332-K471 PolarHBondContact N-O 3.38Å; E355-K471 IonicContact OE1-NZ 3.95Å; V412-K471 PolarHBondContact O-NZ 3.23Å; L413-K471 VanDerWaalsContact CA-NZ 3.27Å; L413-K471 HydrophobicContact CD2-CB 3.58Å; L413-K471 HydrophobicContact CD2-CD 3.38Å; L413-K471 HydrophobicContact CD2-CG 3.27Å; L413-K471 WeakPolarHBondContact O-CE 3.47Å; L413-K471 PolarHBondContact O-NZ 2.98Å; K471-T473 WeakPolarHBondContact CE-OG1 3.36Å; K471-T473 WeakPolarHBondContact CG-OG1 3.35Å
472L47.8Very low40.7Very low1 Ų147.4 Ų47.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-111.9112.4159.8-77.7176.7000110.2G294 T297 V298 L329 N330 L331 C383 C384 L470G294-L472 WeakPolarHBondContact O-CD1 3.48Å; T297-L472 HydrophobicContact CG2-CB 4.43Å; T297-L472 HydrophobicContact CG2-CD1 3.56Å; T297-L472 HydrophobicContact CG2-CG 4.16Å; V298-L472 HydrophobicContact CB-CD1 4.43Å; L329-L472 HydrophobicContact CD1-CB 4.23Å; L329-L472 HydrophobicContact CD1-CD1 4.3Å; L329-L472 HydrophobicContact CD1-CD2 3.76Å; L329-L472 HydrophobicContact CD1-CG 4.36Å; L329-L472 HydrophobicContact CD2-CD2 4.46Å; L329-L472 HydrophobicContact CG-CD2 3.94Å; N330-L472 WeakPolarHBondContact O-CA 3.17Å; N330-L472 WeakPolarHBondContact O-CD2 2.94Å; L331-L472 HydrophobicContact CB-CD2 3.7Å; L331-L472 HydrophobicContact CD1-CD2 3.54Å; L331-L472 HydrophobicContact CD1-CG 4.04Å; L331-L472 HydrophobicContact CG-CD2 4.24Å; C383-L472 VanDerWaalsContact CA-O 3.32Å; C383-L472 WeakPolarHBondContact CA-O 3.1Å; C384-L472 PolarHBondContact N-O 2.98Å; C384-L472 PolarHBondContact O-N 3.46Å; L470-L472 HydrophobicContact CD2-CD1 4.21Å; L470-L472 HydrophobicContact CD2-CG 4.16Å
473T48.8Very low40.7Very low7 Ų743.9 Ų43.94%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-104.1120.6175.8-41.10000108.3N330 M381 K471N330-T473 PolarHBondContact N-O 2.76Å; N330-T473 PolarHBondContact ND2-O 3.33Å; N330-T473 PolarHBondContact O-N 3.31Å; N330-T473 VanDerWaalsContact O-N 3.13Å; M381-T473 HydrophobicContact CB-CG2 3.82Å; M381-T473 HydrophobicContact CE-CG2 4.15Å; M381-T473 HydrophobicContact CG-CG2 4Å; M381-T473 HydrophobicContact SD-CG2 3.49Å; M381-T473 WeakPolarHBondContact SD-CG2 3.19Å; K471-T473 WeakPolarHBondContact CE-OG1 3.36Å; K471-T473 WeakPolarHBondContact CG-OG1 3.35Å
474L50.7Low40.8Very low2 Ų243.2 Ų43.21%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-81.9110.8157.3-71.1-175.4000108.1L254 T256 V298 V318 A327 S328 L329 M381 F382L254-L474 HydrophobicContact CD2-CD1 4.26Å; T256-L474 HydrophobicContact CG2-CD2 3.92Å; V298-L474 HydrophobicContact CG2-CD1 3.75Å; V298-L474 HydrophobicContact CG2-CD2 4.32Å; V298-L474 HydrophobicContact CG2-CG 3.92Å; V318-L474 HydrophobicContact CG2-CB 4.25Å; V318-L474 HydrophobicContact CG2-CD1 4.32Å; A327-L474 HydrophobicContact CB-CD2 4.23Å; S328-L474 WeakPolarHBondContact O-CA 3.42Å; S328-L474 VanDerWaalsContact O-CD2 3.3Å; S328-L474 WeakPolarHBondContact O-CD2 3.37Å; L329-L474 HydrophobicContact CB-CD2 4.02Å; L329-L474 HydrophobicContact CD1-CD2 3.62Å; L329-L474 HydrophobicContact CD1-CG 4.33Å; L329-L474 HydrophobicContact CG-CD2 4.44Å; M381-L474 WeakPolarHBondContact CA-O 3Å; M381-L474 WeakPolarHBondContact CB-O 3.06Å; M381-L474 VanDerWaalsContact CG-O 3.31Å; M381-L474 WeakPolarHBondContact CG-O 3.22Å; F382-L474 HydrophobicContact CE1-CB 4.34Å; F382-L474 HydrophobicContact CE1-CD1 3.56Å; F382-L474 HydrophobicContact CE1-CG 4.27Å; F382-L474 HydrophobicContact CE2-CD1 4.47Å; F382-L474 HydrophobicContact CZ-CD1 3.47Å; F382-L474 VanDerWaalsContact CZ-CD1 3.47Å; F382-L474 HydrophobicContact CZ-CG 4.11Å
475S50.9Low41.1Very low8 Ų849.5 Ų49.56%0.05625%0.253CS..EExtended strand (participates in β ladder)trans-88.2123.7171.974.50000109.2S328S328-S475 PolarHBondContact N-O 3.48Å; S328-S475 PolarHBondContact O-N 3.17Å; S328-S475 PolarHBondContact OG-OG 3.24Å
476S45.7Very low41.2Very low1 Ų151.5 Ų51.51%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-70.6137-178.3830000112.3I373 Q377 Q380I373-S476 WeakPolarHBondContact CD1-O 3.46Å; Q377-S476 PolarHBondContact O-OG 3.46Å; Q377-S476 VanDerWaalsContact O-OG 3.12Å; Q380-S476 PolarHBondContact OE1-OG 3.26Å
477S46.9Very low41.4Very low10 Ų1052.8 Ų52.87%0.0727%0.269CS..  trans55.4124.2149.973.10000121.5Q377Q377-S477 PolarHBondContact OE1-OG 3.05Å
478V38.2Very low41.6Very low28 Ų2854 Ų5417%0.1728%0.277CS..  -112.5132123.1178.70000106.2L369 H372 V480L369-V478 HydrophobicContact CB-CG2 4.32Å; L369-V478 HydrophobicContact CD2-CB 3.91Å; L369-V478 HydrophobicContact CD2-CG2 3.98Å; L369-V478 VanDerWaalsContact O-CG2 3.22Å; L369-V478 WeakPolarHBondContact O-CG2 3.22Å; H372-V478 HydrophobicContact CB-CG2 3.79Å; V478-V480 PolarHBondContact O-N 3.27Å
479P37.9Very low41.3Very low97 Ų9754 Ų5463%0.6328%0.284SS*.  trans-60.8113.7163.824.5-29.9000106.9P481P479-P481 WeakPolarHBondContact O-CD 3.24Å
480V36.3Very low41.2Very low56 Ų5657.5 Ų57.534%0.33930%0.303SS..  trans-53.6113.5167.1-178.10000104.6K249 L326 V478 T483K249-V480 PolarHBondContact NZ-O 3.48Å; L326-V480 HydrophobicContact CD2-CG2 4.16Å; V478-V480 PolarHBondContact O-N 3.27Å; V480-T483 HydrophobicContact CG1-CG2 4.07Å
481P32Very low40.7Very low83 Ų8361 Ų6154%0.53932%0.322SS..  trans-51152.4175.119.4-28.7000107.2P479 T483P479-P481 WeakPolarHBondContact O-CD 3.24Å; P481-T483 PolarHBondContact O-N 2.81Å
482R33.5Very low40.4Very low238 Ų23864.3 Ų64.390%0.89834%0.339SS*.  trans-55.494.2171.1-76.5179173.2169-2.9106.6S484R482-S484 VanDerWaalsContact C-N 3.32Å; R482-S484 PolarHBondContact O-N 3.28Å
483T34.5Very low39.9Very low74 Ų7470.4 Ų70.445%0.45437%0.368SS..  trans-70.4102.2178.643.30000103.9V480 P481 D487V480-T483 HydrophobicContact CG1-CG2 4.07Å; P481-T483 PolarHBondContact O-N 2.81Å; T483-D487 WeakPolarHBondContact CA-OD2 3.18Å; T483-D487 HydrophobicContact CG2-CB 3.71Å
484S36.6Very low39.3Very low48 Ų4878.8 Ų78.834%0.33640%0.404SS..  trans-59.9164165.366.70000107.4R482 E486 D487 V488R482-S484 VanDerWaalsContact C-N 3.32Å; R482-S484 PolarHBondContact O-N 3.28Å; S484-E486 PolarHBondContact O-N 2.85Å; S484-E486 WeakPolarHBondContact OG-CB 3.39Å; S484-E486 PolarHBondContact OG-N 3.26Å; S484-E486 PolarHBondContact OG-OE2 3.36Å; S484-E486 VanDerWaalsContact OG-OE2 3.08Å; S484-D487 PolarHBondContact O-N 3.16Å; S484-V488 PolarHBondContact O-N 3.06Å
485K37.3Very low38.7Very low191 Ų19182.7 Ų82.783%0.8342%0.421SS*.Hα-helixtrans-47.8-24.8166.4-104.3179.6172.5179.80112.1A489K485-A489 WeakPolarHBondContact O-CB 3.11Å; K485-A489 PolarHBondContact O-N 2.93Å
486E37.7Very low37.7Very low136 Ų13690.2 Ų90.264%0.63646%0.455SS*.Hα-helixtrans-77.3-24.8178.3-57.8150.8151.500113.6S484 A489 N490S484-E486 PolarHBondContact O-N 2.85Å; S484-E486 WeakPolarHBondContact OG-CB 3.39Å; S484-E486 PolarHBondContact OG-N 3.26Å; S484-E486 PolarHBondContact OG-OE2 3.36Å; S484-E486 VanDerWaalsContact OG-OE2 3.08Å; E486-A489 CarbonylContact O-C 3.31Å; E486-A489 WeakPolarHBondContact O-CA 3.4Å; E486-A489 WeakPolarHBondContact O-CB 3.5Å; E486-A489 PolarHBondContact O-N 3.18Å; E486-N490 WeakPolarHBondContact O-CB 3.21Å; E486-N490 PolarHBondContact O-N 2.91Å
487D40.4Very low37Very low56 Ų56103.6 Ų103.630%0.29951%0.507SS..Hα-helixtrans-75.5-34.1172.4-82.3-24.8000111.3T483 S484 A489 N490 L491T483-D487 WeakPolarHBondContact CA-OD2 3.18Å; T483-D487 HydrophobicContact CG2-CB 3.71Å; S484-D487 PolarHBondContact O-N 3.16Å; D487-A489 VanDerWaalsContact C-N 3.29Å; D487-N490 PolarHBondContact O-N 2.86Å; D487-L491 WeakPolarHBondContact O-CB 3.42Å; D487-L491 PolarHBondContact O-N 2.77Å
488V40Very low36.5Very low39 Ų39108.3 Ų108.324%0.23653%0.529CS..Hα-helixtrans-65.7-38.4165.5-178.80000109.4A242 S484 L491 L492A242-V488 HydrophobicContact CB-CG2 4.42Å; S484-V488 PolarHBondContact O-N 3.06Å; V488-L491 CarbonylContact O-C 3.45Å; V488-L491 WeakPolarHBondContact O-CB 3.2Å; V488-L491 PolarHBondContact O-N 2.89Å; V488-L492 HydrophobicContact CG1-CD1 4.16Å; V488-L492 WeakPolarHBondContact O-CB 3.46Å; V488-L492 VanDerWaalsContact O-CG 3.24Å; V488-L492 WeakPolarHBondContact O-CG 3.38Å; V488-L492 PolarHBondContact O-N 3.31Å
489A38.7Very low36.5Very low38 Ų38112.5 Ų112.531%0.31455%0.548SS..Hα-helixtrans-65.1-36.7172.900000112.4K485 E486 D487 L491 L492 E493K485-A489 WeakPolarHBondContact O-CB 3.11Å; K485-A489 PolarHBondContact O-N 2.93Å; E486-A489 CarbonylContact O-C 3.31Å; E486-A489 WeakPolarHBondContact O-CA 3.4Å; E486-A489 WeakPolarHBondContact O-CB 3.5Å; E486-A489 PolarHBondContact O-N 3.18Å; D487-A489 VanDerWaalsContact C-N 3.29Å; A489-L491 VanDerWaalsContact C-N 3.33Å; A489-L492 CarbonylContact O-C 3.57Å; A489-L492 VanDerWaalsContact O-C 3.31Å; A489-L492 WeakPolarHBondContact O-CA 3.21Å; A489-L492 WeakPolarHBondContact O-CB 3.31Å; A489-L492 PolarHBondContact O-N 3.28Å; A489-L492 VanDerWaalsContact O-N 3.08Å; A489-E493 WeakPolarHBondContact O-CB 3.16Å; A489-E493 WeakPolarHBondContact O-CG 3.08Å; A489-E493 PolarHBondContact O-N 2.87Å
490N39.1Very low36.4Very low82 Ų82113.4 Ų113.444%0.43954%0.544SS..Hα-helixtrans-68.4-36.4173.3-85.4-35.5000111E486 D487 L492 K494E486-N490 WeakPolarHBondContact O-CB 3.21Å; E486-N490 PolarHBondContact O-N 2.91Å; D487-N490 PolarHBondContact O-N 2.86Å; N490-L492 VanDerWaalsContact C-N 3.26Å; N490-K494 PolarHBondContact O-N 2.99Å
491L38.6Very low36.4Very low76 Ų76116.8 Ų116.840%0.39856%0.556SS.*Hα-helixtrans-60.7-42.2169.4-131.2121.8000109.4D487 V488 A489 F495D487-L491 WeakPolarHBondContact O-CB 3.42Å; D487-L491 PolarHBondContact O-N 2.77Å; V488-L491 CarbonylContact O-C 3.45Å; V488-L491 WeakPolarHBondContact O-CB 3.2Å; V488-L491 PolarHBondContact O-N 2.89Å; A489-L491 VanDerWaalsContact C-N 3.33Å; L491-F495 WeakPolarHBondContact O-CD2 3.26Å; L491-F495 WeakPolarHBondContact O-CE2 3.34Å
492L37.2Very low36.6Very low80 Ų80118.9 Ų118.942%0.41956%0.557SS.*Hα-helixtrans-74.1-31.5176.7-69.5168.8000114.4V488 A489 N490 K494 F495V488-L492 HydrophobicContact CG1-CD1 4.16Å; V488-L492 WeakPolarHBondContact O-CB 3.46Å; V488-L492 VanDerWaalsContact O-CG 3.24Å; V488-L492 WeakPolarHBondContact O-CG 3.38Å; V488-L492 PolarHBondContact O-N 3.31Å; A489-L492 CarbonylContact O-C 3.57Å; A489-L492 VanDerWaalsContact O-C 3.31Å; A489-L492 WeakPolarHBondContact O-CA 3.21Å; A489-L492 WeakPolarHBondContact O-CB 3.31Å; A489-L492 PolarHBondContact O-N 3.28Å; A489-L492 VanDerWaalsContact O-N 3.08Å; N490-L492 VanDerWaalsContact C-N 3.26Å; L492-K494 VanDerWaalsContact C-N 3.27Å; L492-K494 PolarHBondContact O-N 3.14Å; L492-F495 HydrophobicContact CD2-CD2 4.43Å; L492-F495 WeakPolarHBondContact O-CA 3.33Å; L492-F495 WeakPolarHBondContact O-CB 3.35Å; L492-F495 PolarHBondContact O-N 3.3Å
493E37.7Very low36.9Very low129 Ų129110.9 Ų110.960%0.60353%0.534SS*.Hα-helixtrans-71.8-28.5179.6-86.2-173.4174.600110.2A489 F495 E496A489-E493 WeakPolarHBondContact O-CB 3.16Å; A489-E493 WeakPolarHBondContact O-CG 3.08Å; A489-E493 PolarHBondContact O-N 2.87Å; E493-F495 PolarHBondContact O-N 2.74Å; E493-F495 VanDerWaalsContact O-N 3.11Å; E493-E496 PolarHBondContact O-N 3.44Å
494K36.2Very low37Very low182 Ų182113.6 Ų113.679%0.79154%0.54SS*.THydrogen-bonded Turntrans-63.6-6.4164.6-75.6-175.9178.1177.30113.7N490 L492N490-K494 PolarHBondContact O-N 2.99Å; L492-K494 VanDerWaalsContact C-N 3.27Å; L492-K494 PolarHBondContact O-N 3.14Å
495F37.8Very low37.1Very low85 Ų85118.6 Ų118.637%0.37356%0.555SS.*THydrogen-bonded Turntrans-101.8-3.5174-64.1-97.9000114.1P234 A238 L491 L492 E493 Y497P234-F495 HydrophobicContact CB-CD1 4.46Å; P234-F495 HydrophobicContact CB-CE1 3.88Å; A238-F495 HydrophobicContact CB-CZ 4.48Å; L491-F495 WeakPolarHBondContact O-CD2 3.26Å; L491-F495 WeakPolarHBondContact O-CE2 3.34Å; L492-F495 HydrophobicContact CD2-CD2 4.43Å; L492-F495 WeakPolarHBondContact O-CA 3.33Å; L492-F495 WeakPolarHBondContact O-CB 3.35Å; L492-F495 PolarHBondContact O-N 3.3Å; E493-F495 PolarHBondContact O-N 2.74Å; E493-F495 VanDerWaalsContact O-N 3.11Å; F495-Y497 VanDerWaalsContact C-N 3.31Å
496E30.2Very low37Very low166 Ų166112.6 Ų112.678%0.77653%0.532SS*.  trans-876.1172-75.8-159161.400114E493E493-E496 PolarHBondContact O-N 3.44Å
497Y31.2Very low37Very low282 Ų282110.5 Ų110.5100%1.10652%0.523SS*.  trans-135.40173.7-84.4-78.1000115F495F495-Y497 VanDerWaalsContact C-N 3.31Å

Retrieved 497 of 497 residues in 314.7 ms (Link to these results)

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