A0A087XM64_POEFO Loading...

Dehydrogenase/reductase SDR family member 7B

Putative oxidoreductase.

AlphaFold DB , UniProt , Accession A0A087XM64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 307 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.7Low63.2Low249 Ų24999.8 Ų99.8100%1.22763%0.63SS**  045.20-61.3-177.3-167.100112.6
2G52.5Low64.2Low61 Ų6196.8 Ų96.863%0.62961%0.614SS**  trans-116.7-8.6-174.400000116.3
3G54Low65.4Low65 Ų6595 Ų9567%0.6760%0.601SS**SBendtrans-83.2-20.7-169.500000116P7G3-P7 WeakPolarHBondContact O-CD 3.5Å
4A57Low66.5Low69 Ų6990.9 Ų90.957%0.5759%0.586SS**SBendtrans-85.4-19.7-174.200000114L8A4-L8 WeakPolarHBondContact O-CD1 3.2Å
5V62.4Low67.5Low95 Ų9591.5 Ų91.558%0.57659%0.588SS**Hα-helixtrans-74.6-38.7-173.6-175.70000111.6L8 V9V5-L8 PolarHBondContact O-N 3.08Å; V5-V9 HydrophobicContact CG1-CG2 4.42Å; V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.44Å; V5-V9 VanDerWaalsContact O-N 3.08Å
6L62.5Low68.3Low118 Ų11892.1 Ų92.162%0.61858%0.584SS**Hα-helixtrans-64.7-48.1-178-170.865.8000114L8 V9 I10L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 2.61Å; L6-V9 PolarHBondContact O-N 3.29Å; L6-I10 HydrophobicContact CD1-CD1 4.42Å; L6-I10 HydrophobicContact CG-CD1 4.09Å; L6-I10 WeakPolarHBondContact O-CG1 3.32Å; L6-I10 PolarHBondContact O-N 3.42Å
7P68.8Low68.9Low76 Ų7692.3 Ų92.349%0.49458%0.579SS.*Hα-helixtrans-65.2-32.4176.617.8-26.6000113.3G3 I10 A11G3-P7 WeakPolarHBondContact O-CD 3.5Å; P7-I10 PolarHBondContact O-N 2.96Å; P7-A11 VanDerWaalsContact O-CB 3.32Å; P7-A11 WeakPolarHBondContact O-CB 3.38Å; P7-A11 PolarHBondContact O-N 3.5Å
8L68.8Low69.6Low117 Ų11792.7 Ų92.761%0.61358%0.575SS**Hα-helixtrans-64.4-44.3173.5-93.4155.2000111.8A4 V5 L6 A11 S12A4-L8 WeakPolarHBondContact O-CD1 3.2Å; V5-L8 PolarHBondContact O-N 3.08Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 2.61Å; L8-A11 PolarHBondContact O-N 2.94Å; L8-S12 WeakPolarHBondContact O-CB 3.46Å; L8-S12 PolarHBondContact O-N 3.24Å; L8-S12 PolarHBondContact O-OG 2.89Å
9V72.3Confident70Confident79 Ų7994.2 Ų94.248%0.47957%0.573SS.*Hα-helixtrans-64.3-43.4176.31740000111.6V5 L6 S12 V13V5-V9 HydrophobicContact CG1-CG2 4.42Å; V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.44Å; V5-V9 VanDerWaalsContact O-N 3.08Å; L6-V9 PolarHBondContact O-N 3.29Å; V9-S12 WeakPolarHBondContact O-CB 3.41Å; V9-S12 PolarHBondContact O-N 3.48Å; V9-V13 HydrophobicContact CG1-CG2 4.49Å; V9-V13 WeakPolarHBondContact O-CG2 3.33Å; V9-V13 PolarHBondContact O-N 2.95Å
10I72.5Confident70.1Confident110 Ų11094.1 Ų94.156%0.56457%0.566SS**Hα-helixtrans-64.2-43.5178.3-66.6168.4000111.1L6 P7 S12 V13 G14L6-I10 HydrophobicContact CD1-CD1 4.42Å; L6-I10 HydrophobicContact CG-CD1 4.09Å; L6-I10 WeakPolarHBondContact O-CG1 3.32Å; L6-I10 PolarHBondContact O-N 3.42Å; P7-I10 PolarHBondContact O-N 2.96Å; I10-S12 VanDerWaalsContact C-N 3.32Å; I10-S12 PolarHBondContact O-N 3.45Å; I10-V13 PolarHBondContact O-N 3.32Å; I10-G14 PolarHBondContact O-N 2.81Å
11A73.2Confident70.4Confident59 Ų5993.6 Ų93.649%0.48856%0.559SS.*Hα-helixtrans-62.3-39.9174.900000111.7P7 L8 G14 V15P7-A11 VanDerWaalsContact O-CB 3.32Å; P7-A11 WeakPolarHBondContact O-CB 3.38Å; P7-A11 PolarHBondContact O-N 3.5Å; L8-A11 PolarHBondContact O-N 2.94Å; A11-G14 PolarHBondContact O-N 3.37Å; A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.33Å; A11-V15 PolarHBondContact O-N 2.97Å
12S75.3Confident71.6Confident64 Ų6486.4 Ų86.445%0.44853%0.526SS..Hα-helixtrans-63.8-43.4177.8-53.60000111.9L8 V9 I10 L16L8-S12 WeakPolarHBondContact O-CB 3.46Å; L8-S12 PolarHBondContact O-N 3.24Å; L8-S12 PolarHBondContact O-OG 2.89Å; V9-S12 WeakPolarHBondContact O-CB 3.41Å; V9-S12 PolarHBondContact O-N 3.48Å; I10-S12 VanDerWaalsContact C-N 3.32Å; I10-S12 PolarHBondContact O-N 3.45Å; S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 WeakPolarHBondContact O-CG 3.17Å; S12-L16 PolarHBondContact O-N 3.31Å
13V79.6Confident72.4Confident73 Ų7387.1 Ų87.144%0.44252%0.515SS..Hα-helixtrans-67-41175.5172.80000110.8V9 I10 L16 L17V9-V13 HydrophobicContact CG1-CG2 4.49Å; V9-V13 WeakPolarHBondContact O-CG2 3.33Å; V9-V13 PolarHBondContact O-N 2.95Å; I10-V13 PolarHBondContact O-N 3.32Å; V13-L16 PolarHBondContact O-N 2.86Å; V13-L17 HydrophobicContact CG1-CD1 3.76Å; V13-L17 HydrophobicContact CG1-CG 4.28Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.27Å; V13-L17 WeakPolarHBondContact O-CG 3.43Å; V13-L17 PolarHBondContact O-N 3.48Å
14G80.9Confident73Confident38 Ų3892.6 Ų92.639%0.39252%0.515SS..Hα-helixtrans-61.3-44.4175.600000112.9I10 A11 L17 L18I10-G14 PolarHBondContact O-N 2.81Å; A11-G14 PolarHBondContact O-N 3.37Å; G14-L17 PolarHBondContact O-N 3.48Å; G14-L18 VanDerWaalsContact O-CB 3.29Å; G14-L18 WeakPolarHBondContact O-CB 3.32Å; G14-L18 PolarHBondContact O-N 3.41Å
15V81.7Confident73.6Confident100 Ų10095.2 Ų95.261%0.60652%0.519SS*.Hα-helixtrans-65.3-41.7175.1172.20000111.3A11 L18 F19A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.33Å; A11-V15 PolarHBondContact O-N 2.97Å; V15-L18 PolarHBondContact O-N 3.44Å; V15-F19 WeakPolarHBondContact O-CB 3.37Å; V15-F19 PolarHBondContact O-N 3.04Å
16L79.8Confident74Confident101 Ų10198.9 Ų98.953%0.52952%0.522SS..Hα-helixtrans-63.4-42.8175.1-85.4165.5000112.4S12 V13 F19 Q20S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 WeakPolarHBondContact O-CG 3.17Å; S12-L16 PolarHBondContact O-N 3.31Å; V13-L16 PolarHBondContact O-N 2.86Å; L16-F19 PolarHBondContact O-N 2.74Å; L16-Q20 WeakPolarHBondContact O-CB 3.29Å; L16-Q20 WeakPolarHBondContact O-CG 3.45Å; L16-Q20 PolarHBondContact O-N 2.88Å
17L79.3Confident74.4Confident95 Ų95104.8 Ų104.850%0.49754%0.536SS..Hα-helixtrans-66.4-45.1177.5-73.5167.5000111V13 G14 F19 Q20 I21V13-L17 HydrophobicContact CG1-CD1 3.76Å; V13-L17 HydrophobicContact CG1-CG 4.28Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.27Å; V13-L17 WeakPolarHBondContact O-CG 3.43Å; V13-L17 PolarHBondContact O-N 3.48Å; G14-L17 PolarHBondContact O-N 3.48Å; L17-F19 VanDerWaalsContact C-N 3.35Å; L17-F19 PolarHBondContact O-N 3.08Å; L17-Q20 PolarHBondContact O-N 3.37Å; L17-I21 WeakPolarHBondContact O-CB 3.46Å; L17-I21 VanDerWaalsContact O-CG1 3.22Å; L17-I21 WeakPolarHBondContact O-CG1 3.4Å; L17-I21 PolarHBondContact O-N 3.06Å
18L81.1Confident74.8Confident99 Ų99101.9 Ų101.952%0.51852%0.52SS..Hα-helixtrans-61-44.2174.8-177.762.4000111.2G14 V15 Q20 I21 L22G14-L18 VanDerWaalsContact O-CB 3.29Å; G14-L18 WeakPolarHBondContact O-CB 3.32Å; G14-L18 PolarHBondContact O-N 3.41Å; V15-L18 PolarHBondContact O-N 3.44Å; L18-Q20 PolarHBondContact O-N 3.47Å; L18-I21 PolarHBondContact O-N 2.81Å; L18-L22 HydrophobicContact CD1-CD1 4.44Å; L18-L22 HydrophobicContact CD1-CG 4.38Å; L18-L22 HydrophobicContact CG-CD1 4.09Å; L18-L22 HydrophobicContact CG-CG 4.46Å; L18-L22 WeakPolarHBondContact O-CB 3.22Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.2Å
19F77.7Confident75.6Confident122 Ų12298.8 Ų98.854%0.53551%0.512SS..Hα-helixtrans-60.6-43.8175.1-178.6-110.4000111.7V15 L16 L17 I21 L22 L23V15-F19 WeakPolarHBondContact O-CB 3.37Å; V15-F19 PolarHBondContact O-N 3.04Å; L16-F19 PolarHBondContact O-N 2.74Å; L17-F19 VanDerWaalsContact C-N 3.35Å; L17-F19 PolarHBondContact O-N 3.08Å; F19-I21 PolarHBondContact O-N 3.32Å; F19-L22 PolarHBondContact O-N 3.2Å; F19-L23 HydrophobicContact CD1-CD1 3.82Å; F19-L23 HydrophobicContact CD1-CG 4.47Å; F19-L23 HydrophobicContact CE1-CD1 3.41Å; F19-L23 VanDerWaalsContact CE1-CD1 3.41Å; F19-L23 HydrophobicContact CE1-CG 4.23Å; F19-L23 HydrophobicContact CE2-CD1 4.4Å; F19-L23 HydrophobicContact CE2-CG 4.39Å; F19-L23 HydrophobicContact CG-CD1 4.48Å; F19-L23 HydrophobicContact CZ-CD1 3.73Å; F19-L23 HydrophobicContact CZ-CD2 4.39Å; F19-L23 HydrophobicContact CZ-CG 4.18Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 VanDerWaalsContact O-CG 3.26Å; F19-L23 WeakPolarHBondContact O-CG 3.33Å; F19-L23 PolarHBondContact O-N 3.3Å
20Q72Confident76.4Confident91 Ų9199.5 Ų99.543%0.42552%0.52SS..Hα-helixtrans-64.4-38.8174.3-75.3-171.916.600112.7L16 L17 L18 L23 R24L16-Q20 WeakPolarHBondContact O-CB 3.29Å; L16-Q20 WeakPolarHBondContact O-CG 3.45Å; L16-Q20 PolarHBondContact O-N 2.88Å; L17-Q20 PolarHBondContact O-N 3.37Å; L18-Q20 PolarHBondContact O-N 3.47Å; Q20-L23 PolarHBondContact O-N 3Å; Q20-R24 WeakPolarHBondContact O-CB 3.26Å; Q20-R24 WeakPolarHBondContact O-CG 3.21Å; Q20-R24 PolarHBondContact O-N 3.35Å
21I77.3Confident77.4Confident84 Ų8494.7 Ų94.743%0.43150%0.496SS..Hα-helixtrans-64.3-47.7175.5-71.1164.4000109.9L17 L18 F19 L23 R24 L25L17-I21 WeakPolarHBondContact O-CB 3.46Å; L17-I21 VanDerWaalsContact O-CG1 3.22Å; L17-I21 WeakPolarHBondContact O-CG1 3.4Å; L17-I21 PolarHBondContact O-N 3.06Å; L18-I21 PolarHBondContact O-N 2.81Å; F19-I21 PolarHBondContact O-N 3.32Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.46Å; I21-R24 CarbonylContact O-C 3.53Å; I21-R24 WeakPolarHBondContact O-CA 3.4Å; I21-R24 WeakPolarHBondContact O-CB 3.27Å; I21-R24 PolarHBondContact O-N 3.25Å; I21-L25 HydrophobicContact CG2-CD1 3.82Å; I21-L25 HydrophobicContact CG2-CG 4.3Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 3.4Å
22L75.9Confident78.5Confident99 Ų9995.1 Ų95.152%0.51849%0.488SS..Hα-helixtrans-61.1-40.6176.8-70.5171.5000111.8L18 F19 R24 L25 R26L18-L22 HydrophobicContact CD1-CD1 4.44Å; L18-L22 HydrophobicContact CD1-CG 4.38Å; L18-L22 HydrophobicContact CG-CD1 4.09Å; L18-L22 HydrophobicContact CG-CG 4.46Å; L18-L22 WeakPolarHBondContact O-CB 3.22Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.2Å; F19-L22 PolarHBondContact O-N 3.2Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 2.86Å; L22-R26 PolarHBondContact O-N 2.92Å
23L69.1Low79.4Confident75 Ų7592.9 Ų92.939%0.39348%0.475SS..Hα-helixtrans-64.4-33.1172.4-73.4178.4000112.8F19 Q20 I21F19-L23 HydrophobicContact CD1-CD1 3.82Å; F19-L23 HydrophobicContact CD1-CG 4.47Å; F19-L23 HydrophobicContact CE1-CD1 3.41Å; F19-L23 VanDerWaalsContact CE1-CD1 3.41Å; F19-L23 HydrophobicContact CE1-CG 4.23Å; F19-L23 HydrophobicContact CE2-CD1 4.4Å; F19-L23 HydrophobicContact CE2-CG 4.39Å; F19-L23 HydrophobicContact CG-CD1 4.48Å; F19-L23 HydrophobicContact CZ-CD1 3.73Å; F19-L23 HydrophobicContact CZ-CD2 4.39Å; F19-L23 HydrophobicContact CZ-CG 4.18Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 VanDerWaalsContact O-CG 3.26Å; F19-L23 WeakPolarHBondContact O-CG 3.33Å; F19-L23 PolarHBondContact O-N 3.3Å; Q20-L23 PolarHBondContact O-N 3Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.46Å
24R66.4Low80.3Confident181 Ų18189.9 Ų89.968%0.68346%0.458SS*.Hα-helixtrans-72.7-32.9173.9-73.9171.3-172.4-167.15.5112.3Q20 I21 L22Q20-R24 WeakPolarHBondContact O-CB 3.26Å; Q20-R24 WeakPolarHBondContact O-CG 3.21Å; Q20-R24 PolarHBondContact O-N 3.35Å; I21-R24 CarbonylContact O-C 3.53Å; I21-R24 WeakPolarHBondContact O-CA 3.4Å; I21-R24 WeakPolarHBondContact O-CB 3.27Å; I21-R24 PolarHBondContact O-N 3.25Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.47Å
25L68.8Low81.1Confident124 Ų12488.1 Ų88.165%0.64944%0.439SS*.Hα-helixtrans-79.7-18178.1-69.1173.5000113I21 L22 R27I21-L25 HydrophobicContact CG2-CD1 3.82Å; I21-L25 HydrophobicContact CG2-CG 4.3Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 2.86Å; L25-R27 PolarHBondContact O-N 2.88Å
26R71.6Confident81.9Confident171 Ų17183.3 Ų83.365%0.64541%0.41SS*.  trans-58.7108176.7-161.3175.4-171.5-178.12.8110L22 G28 L264L22-R26 PolarHBondContact O-N 2.92Å; R26-G28 PolarHBondContact O-N 3.5Å; R26-L264 HydrophobicContact CB-CD2 4.34Å; R26-L264 HydrophobicContact CG-CD2 4.45Å
27R70.3Confident82.9Confident242 Ų24278.5 Ų78.591%0.91339%0.385SS*.  trans-66.9107.7172.4-75.5-176.2174.2175.4-0.7108.4L25L25-R27 PolarHBondContact O-N 2.88Å
28G76.6Confident83.8Confident15 Ų1574 Ų7416%0.15536%0.361CS..PPolyproline II helixtrans-68.7156.6173.400000111.7R26 R263R26-G28 PolarHBondContact O-N 3.5Å; G28-R263 CarbonylContact C-O 3.54Å; G28-R263 WeakPolarHBondContact CA-O 3.49Å; G28-R263 PolarHBondContact O-NH2 3.36Å
29A85.6Confident84.6Confident53 Ų5369.4 Ų69.444%0.43834%0.337SS..PPolyproline II helixtrans-48.8149.1178.400000111.8R263A29-R263 PolarHBondContact N-O 3.13Å; A29-R263 WeakPolarHBondContact O-CB 3.29Å; A29-R263 WeakPolarHBondContact O-CG 3.44Å; A29-R263 PolarHBondContact O-NE 3Å
30S89.8Confident85.6Confident94 Ų9464.4 Ų64.466%0.65732%0.32SS*.PPolyproline II helixtrans-75.5145.2171-170.80000109.8Q32S30-Q32 WeakPolarHBondContact OG-CB 3.45Å; S30-Q32 PolarHBondContact OG-N 3.44Å
31V94.4Very high86.8Confident8 Ų860 Ų605%0.04830%0.3CS..  trans-106.15.2169.1-59.80000112G33 A34 F53 A56 A58 L259 V262 R263V31-G33 PolarHBondContact O-N 3.01Å; V31-A34 HydrophobicContact CB-CB 4.47Å; V31-A34 WeakPolarHBondContact O-CB 3.42Å; V31-A34 PolarHBondContact O-N 3.4Å; V31-F53 HydrophobicContact CG1-CE1 4.39Å; V31-A56 HydrophobicContact CG2-CB 3.41Å; V31-A56 VanDerWaalsContact CG2-CB 3.41Å; V31-A58 WeakPolarHBondContact O-CA 3.49Å; V31-L259 HydrophobicContact CB-CD1 4.46Å; V31-L259 HydrophobicContact CG1-CD1 3.98Å; V31-L259 HydrophobicContact CG2-CD1 3.68Å; V31-V262 HydrophobicContact CG1-CG1 4.05Å; V31-R263 HydrophobicContact CG1-CG 4.18Å
32Q95Very high87.7Confident68 Ų6856.9 Ų56.932%0.31829%0.285SS..THydrogen-bonded Turntrans-58.3123.3175.9-176.36839.500109.6S30 A34 A56 Q87S30-Q32 WeakPolarHBondContact OG-CB 3.45Å; S30-Q32 PolarHBondContact OG-N 3.44Å; Q32-A34 PolarHBondContact O-N 3.07Å; Q32-A56 PolarHBondContact OE1-O 2.96Å; Q32-Q87 PolarHBondContact NE2-O 3.25Å
33G95.4Very high88.5Confident17 Ų1754.6 Ų54.618%0.17528%0.277CS..THydrogen-bonded Turntrans72.2-4.1-178.300000115.3V31 G57 R59V31-G33 PolarHBondContact O-N 3.01Å; G33-G57 PolarHBondContact N-O 2.98Å; G33-R59 VanDerWaalsContact CA-NH1 3.34Å; G33-R59 PolarHBondContact O-NH1 2.96Å
34A97.6Very high89.8Confident10 Ų1052.2 Ų52.28%0.08327%0.272CS..  trans-68.2140.8178.200000110.6V31 Q32 V36 R59 D119V31-A34 HydrophobicContact CB-CB 4.47Å; V31-A34 WeakPolarHBondContact O-CB 3.42Å; V31-A34 PolarHBondContact O-N 3.4Å; Q32-A34 PolarHBondContact O-N 3.07Å; A34-V36 HydrophobicContact CB-CG2 4.45Å; A34-V36 PolarHBondContact O-N 2.84Å; A34-R59 PolarHBondContact O-N 2.95Å; A34-D119 WeakPolarHBondContact CA-OD2 3.43Å; A34-D119 HydrophobicContact CB-CB 4.08Å
35V98.6Very high91.3Very high1 Ų144.2 Ų44.21%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-82.6113.4175.6-175.80000109.8R59 V61 Y115 H117 D119 V120V35-R59 CarbonylContact C-O 3.55Å; V35-R59 WeakPolarHBondContact CA-O 3.44Å; V35-R59 HydrophobicContact CG2-CB 4.37Å; V35-V61 HydrophobicContact CG1-CG2 4.34Å; V35-Y115 HydrophobicContact CG1-CD2 3.69Å; V35-Y115 HydrophobicContact CG1-CG 4.19Å; V35-Y115 HydrophobicContact CG2-CD2 4.18Å; V35-Y115 HydrophobicContact CG2-CG 3.91Å; V35-H117 VanDerWaalsContact CG1-O 3.23Å; V35-H117 WeakPolarHBondContact CG1-O 3.47Å; V35-D119 PolarHBondContact N-OD2 2.79Å; V35-D119 WeakPolarHBondContact O-CA 3.42Å; V35-D119 WeakPolarHBondContact O-CB 3.36Å; V35-D119 PolarHBondContact O-N 2.88Å; V35-V120 PolarHBondContact O-N 2.87Å
36V98.8Very high92.7Very high0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-117.8117.1-175.2-177.30000110A34 I38 F53 A58 R59 L60 V61 V120 I122A34-V36 HydrophobicContact CB-CG2 4.45Å; A34-V36 PolarHBondContact O-N 2.84Å; V36-I38 HydrophobicContact CG1-CD1 4.32Å; V36-I38 HydrophobicContact CG1-CG1 3.97Å; V36-F53 HydrophobicContact CB-CD1 4.4Å; V36-F53 HydrophobicContact CG1-CD1 3.91Å; V36-F53 HydrophobicContact CG1-CE1 4.2Å; V36-F53 HydrophobicContact CG1-CG 4.37Å; V36-F53 HydrophobicContact CG2-CD1 3.95Å; V36-F53 HydrophobicContact CG2-CE1 4.39Å; V36-A58 HydrophobicContact CB-CB 4.3Å; V36-A58 HydrophobicContact CG2-CB 3.71Å; V36-R59 PolarHBondContact N-O 2.83Å; V36-L60 HydrophobicContact CB-CD2 3.87Å; V36-L60 HydrophobicContact CG1-CD2 4.34Å; V36-L60 WeakPolarHBondContact O-CA 3.22Å; V36-V61 PolarHBondContact O-N 2.84Å; V36-V120 WeakPolarHBondContact CA-O 3.41Å; V36-V120 HydrophobicContact CB-CB 4.46Å; V36-V120 HydrophobicContact CG1-CB 4.2Å; V36-V120 HydrophobicContact CG1-CG1 4.5Å; V36-V120 HydrophobicContact CG2-CB 4.03Å; V36-V120 HydrophobicContact CG2-CG2 4.17Å; V36-I122 HydrophobicContact CG1-CD1 3.8Å; V36-I122 HydrophobicContact CG1-CG1 4.27Å
37V98.9Very high93.9Very high0 Ų033.2 Ų33.20%019%0.192CC..EExtended strand (participates in β ladder)trans-96.4129.1176.4179.90000108.7V61 I111 V118 V120 L121 I122V37-V61 WeakPolarHBondContact CA-O 3.37Å; V37-V61 HydrophobicContact CG2-CB 4.07Å; V37-V61 HydrophobicContact CG2-CG2 4.41Å; V37-I111 HydrophobicContact CG1-CD1 4.05Å; V37-I111 HydrophobicContact CG1-CG1 4.47Å; V37-I111 HydrophobicContact CG1-CG2 4.33Å; V37-I111 HydrophobicContact CG2-CG2 3.47Å; V37-I111 VanDerWaalsContact CG2-CG2 3.47Å; V37-V118 HydrophobicContact CB-CG1 4.26Å; V37-V118 HydrophobicContact CG2-CB 4.27Å; V37-V118 HydrophobicContact CG2-CG1 3.61Å; V37-V118 HydrophobicContact CG2-CG2 3.63Å; V37-V120 PolarHBondContact N-O 2.94Å; V37-L121 HydrophobicContact CB-CD1 3.98Å; V37-L121 HydrophobicContact CG1-CD1 3.83Å; V37-I122 PolarHBondContact O-N 2.83Å
38I98.9Very high95.2Very high0 Ų022.8 Ų22.80%015%0.154CC..EExtended strand (participates in β ladder)trans-126.1116.6-178.7-52.5178.2000109.5V36 A41 C49 A50 L60 V61 C63 I122V36-I38 HydrophobicContact CG1-CD1 4.32Å; V36-I38 HydrophobicContact CG1-CG1 3.97Å; I38-A41 HydrophobicContact CB-CB 4.26Å; I38-A41 HydrophobicContact CG2-CB 4.13Å; I38-C49 HydrophobicContact CD1-CB 4.16Å; I38-C49 HydrophobicContact CG2-CB 4.49Å; I38-A50 HydrophobicContact CD1-CB 4.24Å; I38-L60 HydrophobicContact CD1-CD2 4.38Å; I38-V61 PolarHBondContact N-O 3.34Å; I38-C63 WeakPolarHBondContact O-CB 3.41Å; I38-C63 PolarHBondContact O-N 3.08Å; I38-I122 HydrophobicContact CD1-CD1 4.47Å; I38-I122 HydrophobicContact CG1-CB 4.35Å; I38-I122 HydrophobicContact CG1-CD1 4.16Å
39T98.6Very high96.3Very high2 Ų222 Ų221%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-84.8146.1172.560.40000111.6A41 C63 I122 N123 N124 A125 L155T39-A41 VanDerWaalsContact C-N 3.26Å; T39-A41 PolarHBondContact O-N 3.43Å; T39-C63 HydrophobicContact CG2-CB 4.21Å; T39-I122 PolarHBondContact N-O 3.44Å; T39-I122 PolarHBondContact OG1-O 3.39Å; T39-N123 WeakPolarHBondContact OG1-CA 3.35Å; T39-N124 VanDerWaalsContact O-CB 3.29Å; T39-N124 WeakPolarHBondContact O-CB 3.48Å; T39-N124 PolarHBondContact O-ND2 2.81Å; T39-N124 PolarHBondContact OG1-N 3.39Å; T39-A125 PolarHBondContact O-N 3.36Å; T39-A125 PolarHBondContact OG1-N 2.85Å; T39-L155 HydrophobicContact CG2-CD2 3.4Å
40G97.2Very high96.9Very high17 Ų1719.5 Ų19.518%0.17513%0.125CC..THydrogen-bonded Turntrans67.131.8-17600000112S42 C63 N124G40-S42 PolarHBondContact O-N 2.96Å; G40-C63 PolarHBondContact N-O 3.48Å; G40-N124 PolarHBondContact O-ND2 3.43Å
41A97.6Very high97.2Very high0 Ų017.6 Ų17.60%010%0.104CC..THydrogen-bonded Turntrans-72-14.3-17400000114.1I38 T39 S43 R47 L62 C63 L70I38-A41 HydrophobicContact CB-CB 4.26Å; I38-A41 HydrophobicContact CG2-CB 4.13Å; T39-A41 VanDerWaalsContact C-N 3.26Å; T39-A41 PolarHBondContact O-N 3.43Å; A41-S43 VanDerWaalsContact C-N 3.3Å; A41-S43 PolarHBondContact O-N 3.29Å; A41-R47 VanDerWaalsContact O-CA 3.24Å; A41-R47 WeakPolarHBondContact O-CA 3.19Å; A41-R47 WeakPolarHBondContact O-CB 3.43Å; A41-R47 PolarHBondContact O-N 3.01Å; A41-L62 HydrophobicContact CB-CB 3.83Å; A41-L62 HydrophobicContact CB-CD2 3.99Å; A41-L62 HydrophobicContact CB-CG 4.42Å; A41-C63 PolarHBondContact N-O 2.9Å; A41-L70 HydrophobicContact CB-CD2 4.05Å
42S95.9Very high97.3Very high17 Ų1718.3 Ų18.312%0.11911%0.108CC..THydrogen-bonded Turntrans-74-13.7-175.5580000114.7G40G40-S42 PolarHBondContact O-N 2.96Å
43S94.4Very high97.5Very high51 Ų5115 Ų1536%0.3579%0.093SC..SBendtrans-157.7171.5-177.9680000113.8A41 L45 G46 R47A41-S43 VanDerWaalsContact C-N 3.3Å; A41-S43 PolarHBondContact O-N 3.29Å; S43-L45 PolarHBondContact O-N 2.99Å; S43-G46 PolarHBondContact O-N 2.89Å; S43-R47 PolarHBondContact O-N 3.41Å; S43-R47 VanDerWaalsContact O-N 3.17Å
44G95.4Very high97.5Very high26 Ų2614.8 Ų14.827%0.2689%0.087SC..Hα-helixtrans54.3-133.1169.900000113.8G46 R47 E48G44-G46 VanDerWaalsContact C-N 3.33Å; G44-G46 PolarHBondContact O-N 3.29Å; G44-R47 PolarHBondContact O-N 2.88Å; G44-E48 PolarHBondContact O-N 3.47Å
45L97.7Very high97.3Very high13 Ų1317.3 Ų17.37%0.06811%0.108CC..Hα-helixtrans-63.9-36.8-179.5179.462.5000112.4S43 R47 E48 C49 I174 I222 V254 A255S43-L45 PolarHBondContact O-N 2.99Å; L45-R47 PolarHBondContact O-N 3.03Å; L45-E48 PolarHBondContact O-N 3.28Å; L45-C49 WeakPolarHBondContact O-CB 3.03Å; L45-C49 PolarHBondContact O-N 3.47Å; L45-C49 PolarHBondContact O-SG 2.77Å; L45-C49 VanDerWaalsContact O-SG 3.37Å; L45-I174 HydrophobicContact CD2-CD1 4.41Å; L45-I174 HydrophobicContact CD2-CG1 4.28Å; L45-I174 HydrophobicContact CD2-CG2 3.85Å; L45-I222 HydrophobicContact CD2-CD1 3.92Å; L45-V254 HydrophobicContact CD1-CB 3.78Å; L45-V254 HydrophobicContact CD1-CG1 3.67Å; L45-V254 HydrophobicContact CD2-CG1 4.04Å; L45-A255 HydrophobicContact CD1-CB 4.2Å
46G97.9Very high97.1Very high0 Ų017.7 Ų17.70%011%0.111CC..Hα-helixtrans-63.4-42.4-179.100000112.4S43 G44 C49 A50 N124S43-G46 PolarHBondContact O-N 2.89Å; G44-G46 VanDerWaalsContact C-N 3.33Å; G44-G46 PolarHBondContact O-N 3.29Å; G46-C49 WeakPolarHBondContact O-CB 3.49Å; G46-C49 PolarHBondContact O-N 3.01Å; G46-A50 PolarHBondContact O-N 2.98Å; G46-N124 VanDerWaalsContact CA-ND2 3.31Å; G46-N124 WeakPolarHBondContact CA-ND2 3.44Å; G46-N124 PolarHBondContact N-ND2 2.95Å
47R97.8Very high96.9Very high64 Ų6417.7 Ų17.724%0.24211%0.111CC..Hα-helixtrans-61.8-43.7174.2-177.7170.9180174.1-0.7111.8A41 S43 G44 L45 A50 R51 V73 E76A41-R47 VanDerWaalsContact O-CA 3.24Å; A41-R47 WeakPolarHBondContact O-CA 3.19Å; A41-R47 WeakPolarHBondContact O-CB 3.43Å; A41-R47 PolarHBondContact O-N 3.01Å; S43-R47 PolarHBondContact O-N 3.41Å; S43-R47 VanDerWaalsContact O-N 3.17Å; G44-R47 PolarHBondContact O-N 2.88Å; L45-R47 PolarHBondContact O-N 3.03Å; R47-A50 WeakPolarHBondContact O-CB 3.38Å; R47-A50 PolarHBondContact O-N 3.06Å; R47-R51 PolarHBondContact O-N 3.46Å; R47-V73 HydrophobicContact CG-CG1 4.42Å; R47-V73 HydrophobicContact CG-CG2 3.8Å; R47-E76 IonicContact CZ-OE2 3.35Å; R47-E76 IonicContact NE-OE2 3.16Å; R47-E76 PolarHBondContact NE-OE2 3.41Å; R47-E76 VanDerWaalsContact NH2-CD 3.27Å; R47-E76 IonicContact NH2-OE1 3.97Å; R47-E76 PolarHBondContact NH2-OE1 3.4Å; R47-E76 IonicContact NH2-OE2 2.62Å; R47-E76 PolarHBondContact NH2-OE2 3.33Å
48E98.1Very high96.8Very high22 Ų2217.7 Ų17.710%0.10311%0.111CC..Hα-helixtrans-69.9-33.8177.4-66.3-52129.300112.9G44 L45 A50 R51 V52 P251 R252 A255G44-E48 PolarHBondContact O-N 3.47Å; L45-E48 PolarHBondContact O-N 3.28Å; E48-A50 VanDerWaalsContact C-N 3.34Å; E48-R51 PolarHBondContact O-N 3.14Å; E48-R51 IonicContact OE1-CZ 2.93Å; E48-R51 IonicContact OE1-NE 2.7Å; E48-R51 PolarHBondContact OE1-NE 2.97Å; E48-R51 IonicContact OE1-NH2 3.37Å; E48-R51 VanDerWaalsContact OE2-CD 3.29Å; E48-R51 WeakPolarHBondContact OE2-CD 3.14Å; E48-R51 IonicContact OE2-NE 2.68Å; E48-R51 PolarHBondContact OE2-NE 3.24Å; E48-V52 WeakPolarHBondContact O-CB 3.41Å; E48-V52 WeakPolarHBondContact O-CG2 3.14Å; E48-V52 PolarHBondContact O-N 3Å; E48-P251 HydrophobicContact CB-CB 4.38Å; E48-P251 HydrophobicContact CG-CB 3.81Å; E48-R252 HydrophobicContact CG-CG 4.2Å; E48-R252 WeakPolarHBondContact OE2-CG 3.35Å; E48-R252 IonicContact OE2-NE 2.85Å; E48-A255 HydrophobicContact CB-CB 3.81Å
49C98.6Very high96.7Very high0 Ų021.6 Ų21.60%013%0.126CC..Hα-helixtrans-60.1-45.1168-75.30000110.6I38 L45 G46 R51 V52 F53I38-C49 HydrophobicContact CD1-CB 4.16Å; I38-C49 HydrophobicContact CG2-CB 4.49Å; L45-C49 WeakPolarHBondContact O-CB 3.03Å; L45-C49 PolarHBondContact O-N 3.47Å; L45-C49 PolarHBondContact O-SG 2.77Å; L45-C49 VanDerWaalsContact O-SG 3.37Å; G46-C49 WeakPolarHBondContact O-CB 3.49Å; G46-C49 PolarHBondContact O-N 3.01Å; C49-R51 VanDerWaalsContact C-N 3.33Å; C49-R51 PolarHBondContact O-N 3.29Å; C49-V52 PolarHBondContact O-N 2.94Å; C49-F53 HydrophobicContact CB-CD2 4.48Å; C49-F53 WeakPolarHBondContact O-CB 3.35Å; C49-F53 VanDerWaalsContact O-CD2 3.26Å; C49-F53 WeakPolarHBondContact O-CD2 3.07Å; C49-F53 PolarHBondContact O-N 3.2Å
50A98.3Very high96.7Very high0 Ų021.5 Ų21.50%013%0.125CC..Hα-helixtrans-56.6-46.617600000111.4I38 G46 R47 E48 V52 H54 L60 L62 V73 L77I38-A50 HydrophobicContact CD1-CB 4.24Å; G46-A50 PolarHBondContact O-N 2.98Å; R47-A50 WeakPolarHBondContact O-CB 3.38Å; R47-A50 PolarHBondContact O-N 3.06Å; E48-A50 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.21Å; A50-H54 WeakPolarHBondContact O-CB 3.09Å; A50-H54 PolarHBondContact O-N 2.96Å; A50-L60 HydrophobicContact CB-CD1 4.18Å; A50-L60 VanDerWaalsContact O-CD1 3.24Å; A50-L60 WeakPolarHBondContact O-CD1 3.49Å; A50-L62 HydrophobicContact CB-CD2 3.66Å; A50-V73 HydrophobicContact CB-CG1 4.17Å; A50-L77 HydrophobicContact CB-CD1 4.13Å
51R96.9Very high96.8Very high53 Ų5320.7 Ų20.720%0.212%0.117CC..Hα-helixtrans-57.6-50.9174.4-63-178.2-163.4-92.50.6113.4R47 E48 C49 H54 A55 E76 L77R47-R51 PolarHBondContact O-N 3.46Å; E48-R51 PolarHBondContact O-N 3.14Å; E48-R51 IonicContact OE1-CZ 2.93Å; E48-R51 IonicContact OE1-NE 2.7Å; E48-R51 PolarHBondContact OE1-NE 2.97Å; E48-R51 IonicContact OE1-NH2 3.37Å; E48-R51 VanDerWaalsContact OE2-CD 3.29Å; E48-R51 WeakPolarHBondContact OE2-CD 3.14Å; E48-R51 IonicContact OE2-NE 2.68Å; E48-R51 PolarHBondContact OE2-NE 3.24Å; C49-R51 VanDerWaalsContact C-N 3.33Å; C49-R51 PolarHBondContact O-N 3.29Å; R51-H54 PolarHBondContact O-N 3.15Å; R51-A55 WeakPolarHBondContact O-CB 3.44Å; R51-A55 PolarHBondContact O-N 3.23Å; R51-E76 IonicContact CZ-OE1 3.72Å; R51-E76 IonicContact CZ-OE2 3.35Å; R51-E76 VanDerWaalsContact CZ-OE2 3.22Å; R51-E76 IonicContact NH1-OE1 3.67Å; R51-E76 PolarHBondContact NH1-OE1 2.79Å; R51-E76 IonicContact NH1-OE2 3.95Å; R51-E76 PolarHBondContact NH1-OE2 2.96Å; R51-E76 IonicContact NH2-OE1 3.88Å; R51-E76 PolarHBondContact NH2-OE1 3.24Å; R51-E76 IonicContact NH2-OE2 3.11Å; R51-E76 PolarHBondContact NH2-OE2 3.07Å; R51-L77 HydrophobicContact CB-CD2 4.2Å; R51-L77 HydrophobicContact CG-CD2 3.9Å
52V96.6Very high96.8Very high23 Ų2320.7 Ų20.714%0.13912%0.117CC..Hα-helixtrans-66.7-40.3-174.2167.30000111.4E48 C49 A50 A56 A255 R256 L259E48-V52 WeakPolarHBondContact O-CB 3.41Å; E48-V52 WeakPolarHBondContact O-CG2 3.14Å; E48-V52 PolarHBondContact O-N 3Å; C49-V52 PolarHBondContact O-N 2.94Å; A50-V52 PolarHBondContact O-N 3.21Å; V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 2.82Å; V52-A56 VanDerWaalsContact O-N 3.15Å; V52-A255 HydrophobicContact CB-CB 4.36Å; V52-A255 HydrophobicContact CG2-CB 3.88Å; V52-R256 HydrophobicContact CG1-CG 4.35Å; V52-R256 HydrophobicContact CG2-CG 4.03Å; V52-L259 HydrophobicContact CG1-CB 3.68Å; V52-L259 HydrophobicContact CG1-CD2 3.47Å; V52-L259 VanDerWaalsContact CG1-CD2 3.47Å; V52-L259 HydrophobicContact CG1-CG 4.16Å
53F97.4Very high97Very high0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-75.4-36.4178.2-80.9-100.4000112.2V31 V36 C49 A56 G57 A58 L60 I122 V258 L259 V262V31-F53 HydrophobicContact CG1-CE1 4.39Å; V36-F53 HydrophobicContact CB-CD1 4.4Å; V36-F53 HydrophobicContact CG1-CD1 3.91Å; V36-F53 HydrophobicContact CG1-CE1 4.2Å; V36-F53 HydrophobicContact CG1-CG 4.37Å; V36-F53 HydrophobicContact CG2-CD1 3.95Å; V36-F53 HydrophobicContact CG2-CE1 4.39Å; C49-F53 HydrophobicContact CB-CD2 4.48Å; C49-F53 WeakPolarHBondContact O-CB 3.35Å; C49-F53 VanDerWaalsContact O-CD2 3.26Å; C49-F53 WeakPolarHBondContact O-CD2 3.07Å; C49-F53 PolarHBondContact O-N 3.2Å; F53-A56 CarbonylContact O-C 3.59Å; F53-A56 WeakPolarHBondContact O-CA 3.39Å; F53-A56 PolarHBondContact O-N 2.68Å; F53-A56 VanDerWaalsContact O-N 3.12Å; F53-G57 PolarHBondContact O-N 2.94Å; F53-A58 HydrophobicContact CB-CB 4.15Å; F53-A58 HydrophobicContact CD1-CB 4.47Å; F53-A58 WeakPolarHBondContact O-CB 3.46Å; F53-A58 PolarHBondContact O-N 3.49Å; F53-L60 HydrophobicContact CB-CD2 3.85Å; F53-I122 HydrophobicContact CD2-CD1 4.29Å; F53-I122 HydrophobicContact CE1-CD1 4.1Å; F53-I122 HydrophobicContact CE2-CD1 3.7Å; F53-I122 HydrophobicContact CZ-CD1 3.59Å; F53-V258 HydrophobicContact CE2-CG1 4.16Å; F53-V258 HydrophobicContact CZ-CG1 4.36Å; F53-L259 HydrophobicContact CD1-CD1 3.95Å; F53-L259 HydrophobicContact CD2-CB 4.45Å; F53-L259 HydrophobicContact CD2-CD1 4.48Å; F53-L259 HydrophobicContact CE1-CD1 3.69Å; F53-L259 HydrophobicContact CE2-CB 3.91Å; F53-L259 HydrophobicContact CE2-CD1 4.25Å; F53-L259 HydrophobicContact CG-CD1 4.36Å; F53-L259 HydrophobicContact CZ-CB 4.08Å; F53-L259 HydrophobicContact CZ-CD1 3.86Å; F53-V262 HydrophobicContact CE1-CB 4.36Å; F53-V262 HydrophobicContact CE1-CG1 4.25Å; F53-V262 HydrophobicContact CE1-CG2 4.28Å; F53-V262 HydrophobicContact CZ-CB 4.18Å; F53-V262 HydrophobicContact CZ-CG2 3.83Å
54H96.3Very high97.1Very high12 Ų1218 Ų186%0.05610%0.099CC..Hα-helixtrans-59.8-48.8172-178.8-100.3000111.2A50 R51 A56 G57 L60 L77 F89A50-H54 WeakPolarHBondContact O-CB 3.09Å; A50-H54 PolarHBondContact O-N 2.96Å; R51-H54 PolarHBondContact O-N 3.15Å; H54-A56 PolarHBondContact O-N 3.42Å; H54-G57 WeakPolarHBondContact O-CA 3.38Å; H54-G57 PolarHBondContact O-N 3.06Å; H54-L60 HydrophobicContact CB-CD1 3.75Å; H54-L77 HydrophobicContact CB-CD1 4.16Å; H54-L77 HydrophobicContact CB-CD2 3.98Å; H54-L77 PolarHBondContact CE1-O 3.27Å; H54-F89 PolarHBondContact CD2-O 3.44Å; H54-F89 PolarHBondContact NE2-O 3.01Å
55A93.6Very high97.1Very high63 Ų6324.1 Ų24.152%0.52111%0.114SC..Hα-helixtrans-64.9-19.717600000113.3R51 G57R51-A55 WeakPolarHBondContact O-CB 3.44Å; R51-A55 PolarHBondContact O-N 3.23Å; A55-G57 VanDerWaalsContact C-N 3.28Å
56A93.6Very high97Very high9 Ų926.2 Ų26.27%0.07413%0.125CC..THydrogen-bonded Turntrans-87.33.2171.400000113.3V31 Q32 V52 F53 H54 L259V31-A56 HydrophobicContact CG2-CB 3.41Å; V31-A56 VanDerWaalsContact CG2-CB 3.41Å; Q32-A56 PolarHBondContact OE1-O 2.96Å; V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 2.82Å; V52-A56 VanDerWaalsContact O-N 3.15Å; F53-A56 CarbonylContact O-C 3.59Å; F53-A56 WeakPolarHBondContact O-CA 3.39Å; F53-A56 PolarHBondContact O-N 2.68Å; F53-A56 VanDerWaalsContact O-N 3.12Å; H54-A56 PolarHBondContact O-N 3.42Å; A56-L259 HydrophobicContact CB-CD1 4.35Å; A56-L259 HydrophobicContact CB-CD2 3.95Å
57G94.3Very high96.9Very high0 Ų028.6 Ų28.60%015%0.145CC..THydrogen-bonded Turntrans79.320.6175.600000115G33 F53 H54 A55 Q87 F89G33-G57 PolarHBondContact N-O 2.98Å; F53-G57 PolarHBondContact O-N 2.94Å; H54-G57 WeakPolarHBondContact O-CA 3.38Å; H54-G57 PolarHBondContact O-N 3.06Å; A55-G57 VanDerWaalsContact C-N 3.28Å; G57-Q87 WeakPolarHBondContact CA-O 3.49Å; G57-F89 WeakPolarHBondContact O-CE2 3.4Å
58A97.1Very high96.9Very high0 Ų028.5 Ų28.50%016%0.158CC..  trans-71.7149.9174.600000111.7V31 V36 F53 L60V31-A58 WeakPolarHBondContact O-CA 3.49Å; V36-A58 HydrophobicContact CB-CB 4.3Å; V36-A58 HydrophobicContact CG2-CB 3.71Å; F53-A58 HydrophobicContact CB-CB 4.15Å; F53-A58 HydrophobicContact CD1-CB 4.47Å; F53-A58 WeakPolarHBondContact O-CB 3.46Å; F53-A58 PolarHBondContact O-N 3.49Å; A58-L60 HydrophobicContact CB-CD2 3.8Å
59R97.8Very high96.9Very high82 Ų8233.1 Ų33.131%0.30917%0.174SC..EExtended strand (participates in β ladder)trans-84.9112.6167.6-70.7177.9176.3105.6-2.8108.1G33 A34 V35 V36 F89 Y115G33-R59 VanDerWaalsContact CA-NH1 3.34Å; G33-R59 PolarHBondContact O-NH1 2.96Å; A34-R59 PolarHBondContact O-N 2.95Å; V35-R59 CarbonylContact C-O 3.55Å; V35-R59 WeakPolarHBondContact CA-O 3.44Å; V35-R59 HydrophobicContact CG2-CB 4.37Å; V36-R59 PolarHBondContact N-O 2.83Å; R59-F89 HydrophobicContact CG-CB 4.01Å; R59-F89 HydrophobicContact CG-CD1 4.1Å; R59-F89 HydrophobicContact CG-CD2 3.57Å; R59-F89 HydrophobicContact CG-CE2 4.05Å; R59-F89 HydrophobicContact CG-CG 3.61Å; R59-F89 VanDerWaalsContact NH2-CE1 3.32Å; R59-Y115 HydrophobicContact CB-CD2 4.4Å; R59-Y115 HydrophobicContact CB-CE1 4.14Å; R59-Y115 HydrophobicContact CB-CE2 3.98Å; R59-Y115 HydrophobicContact CG-CE1 4.22Å
60L98.6Very high96.9Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-98136.8-170.1-60.9-170.5000112.3V36 I38 A50 F53 H54 A58 L62 L77 P91 S92V36-L60 HydrophobicContact CB-CD2 3.87Å; V36-L60 HydrophobicContact CG1-CD2 4.34Å; V36-L60 WeakPolarHBondContact O-CA 3.22Å; I38-L60 HydrophobicContact CD1-CD2 4.38Å; A50-L60 HydrophobicContact CB-CD1 4.18Å; A50-L60 VanDerWaalsContact O-CD1 3.24Å; A50-L60 WeakPolarHBondContact O-CD1 3.49Å; F53-L60 HydrophobicContact CB-CD2 3.85Å; H54-L60 HydrophobicContact CB-CD1 3.75Å; A58-L60 HydrophobicContact CB-CD2 3.8Å; L60-L62 HydrophobicContact CB-CD2 3.93Å; L60-L62 HydrophobicContact CB-CG 4.41Å; L60-L62 HydrophobicContact CD1-CD2 4.04Å; L60-L77 HydrophobicContact CD1-CD1 4.12Å; L60-P91 HydrophobicContact CB-CB 4.02Å; L60-P91 HydrophobicContact CB-CG 4.5Å; L60-P91 WeakPolarHBondContact O-CA 3.37Å; L60-S92 PolarHBondContact O-N 3.23Å
61V98.8Very high96.8Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-114.9106.4162.4-173.50000107.9V35 V36 V37 I38 S92 V94 I111 C114 Y115V35-V61 HydrophobicContact CG1-CG2 4.34Å; V36-V61 PolarHBondContact O-N 2.84Å; V37-V61 WeakPolarHBondContact CA-O 3.37Å; V37-V61 HydrophobicContact CG2-CB 4.07Å; V37-V61 HydrophobicContact CG2-CG2 4.41Å; I38-V61 PolarHBondContact N-O 3.34Å; V61-S92 CarbonylContact C-O 3.6Å; V61-S92 WeakPolarHBondContact CA-O 3.36Å; V61-V94 HydrophobicContact CG1-CB 4.45Å; V61-V94 HydrophobicContact CG1-CG2 3.76Å; V61-I111 HydrophobicContact CG1-CG1 4.06Å; V61-C114 HydrophobicContact CG2-CB 3.94Å; V61-Y115 HydrophobicContact CG2-CD2 3.84Å; V61-Y115 HydrophobicContact CG2-CE2 3.87Å
62L98.8Very high96.8Very high0 Ų039.5 Ų39.50%021%0.207CC..EExtended strand (participates in β ladder)trans-91.1120.1-175.3-53.5-176.6000109.9A41 A50 L60 L70 V73 V74 L77 P91 S92 T93 V94A41-L62 HydrophobicContact CB-CB 3.83Å; A41-L62 HydrophobicContact CB-CD2 3.99Å; A41-L62 HydrophobicContact CB-CG 4.42Å; A50-L62 HydrophobicContact CB-CD2 3.66Å; L60-L62 HydrophobicContact CB-CD2 3.93Å; L60-L62 HydrophobicContact CB-CG 4.41Å; L60-L62 HydrophobicContact CD1-CD2 4.04Å; L62-L70 HydrophobicContact CB-CD2 3.98Å; L62-V73 HydrophobicContact CD1-CB 4.27Å; L62-V73 HydrophobicContact CD1-CG1 3.73Å; L62-V74 HydrophobicContact CD1-CG2 4.26Å; L62-L77 HydrophobicContact CD1-CD1 4.33Å; L62-P91 HydrophobicContact CD1-CB 3.87Å; L62-P91 HydrophobicContact CD1-CG 4.47Å; L62-P91 HydrophobicContact CG-CB 4.06Å; L62-S92 PolarHBondContact N-O 3.45Å; L62-T93 HydrophobicContact CB-CG2 4.43Å; L62-T93 VanDerWaalsContact O-CA 3.3Å; L62-T93 WeakPolarHBondContact O-CA 3.35Å; L62-V94 PolarHBondContact O-N 3.19Å
63C98.5Very high96.8Very high1 Ų138.4 Ų38.41%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-113.8139.5-174.6-63.10000111.7I38 T39 G40 A41 V94 F96I38-C63 WeakPolarHBondContact O-CB 3.41Å; I38-C63 PolarHBondContact O-N 3.08Å; T39-C63 HydrophobicContact CG2-CB 4.21Å; G40-C63 PolarHBondContact N-O 3.48Å; A41-C63 PolarHBondContact N-O 2.9Å; C63-V94 WeakPolarHBondContact CA-O 3.48Å; C63-F96 HydrophobicContact CB-CD1 4.49Å; C63-F96 HydrophobicContact CB-CE1 3.68Å; C63-F96 HydrophobicContact CB-CZ 4.45Å
64G96.8Very high96.8Very high9 Ų939.4 Ų39.49%0.09321%0.206CC..EExtended strand (participates in β ladder)trans176.7177.4178.300000112.4V94 V95 F96G64-V94 PolarHBondContact N-O 2.7Å; G64-V95 VanDerWaalsContact O-CA 3.29Å; G64-V95 WeakPolarHBondContact O-CA 3.39Å; G64-F96 CarbonylContact C-O 3.58Å; G64-F96 PolarHBondContact O-N 3.28Å
65R95.1Very high96.7Very high156 Ų15645.2 Ų45.259%0.58923%0.233SC*.SBendtrans-88.9-23.1-177.2-61.8-177-59.2-179.70.6114.2F96 D97R65-F96 VanDerWaalsContact CG-O 3.28Å; R65-F96 WeakPolarHBondContact CG-O 3.44Å; R65-D97 WeakPolarHBondContact CD-OD1 3.4Å; R65-D97 WeakPolarHBondContact CD-OD2 3.32Å; R65-D97 HydrophobicContact CG-CB 4.03Å; R65-D97 IonicContact NH1-OD1 3.22Å; R65-D97 IonicContact NH1-OD2 3.05Å; R65-D97 PolarHBondContact NH1-OD2 2.81Å; R65-D97 VanDerWaalsContact NH1-OD2 3.16Å
66D96Very high96.7Very high56 Ų5644.4 Ų44.430%0.29922%0.218SC..  trans-105.5101.4-172.2-174-31.4000109A68 R69 L70D66-A68 VanDerWaalsContact C-N 3.31Å; D66-A68 PolarHBondContact O-N 2.93Å; D66-A68 PolarHBondContact OD1-N 2.9Å; D66-A68 VanDerWaalsContact OD1-N 3.1Å; D66-R69 HydrophobicContact CB-CB 4.14Å; D66-R69 HydrophobicContact CB-CG 4.36Å; D66-R69 PolarHBondContact OD1-N 2.8Å; D66-R69 WeakPolarHBondContact OD2-CD 3.48Å; D66-R69 VanDerWaalsContact OD2-CG 3.29Å; D66-R69 WeakPolarHBondContact OD2-CG 3.28Å; D66-R69 IonicContact OD2-CZ 3.85Å; D66-R69 IonicContact OD2-NE 3.31Å; D66-R69 PolarHBondContact OD2-NE 3.18Å; D66-L70 WeakPolarHBondContact O-CG 3.35Å; D66-L70 PolarHBondContact O-N 3.37Å
67A97.2Very high96.6Very high50 Ų5044.2 Ų44.241%0.41322%0.216SC..Hα-helixtrans-60.9-40.6-178.900000111.9L70 Q71 V95A67-L70 PolarHBondContact O-N 2.98Å; A67-Q71 WeakPolarHBondContact O-CG 3.28Å; A67-Q71 PolarHBondContact O-N 2.89Å; A67-V95 HydrophobicContact CB-CG1 4.45Å; A67-V95 HydrophobicContact CB-CG2 3.87Å
68A97.7Very high96.1Very high62 Ų6246.6 Ų46.651%0.51224%0.241SC..Hα-helixtrans-64.3-48.6-178.500000110.9D66 L70 Q71 E72D66-A68 VanDerWaalsContact C-N 3.31Å; D66-A68 PolarHBondContact O-N 2.93Å; D66-A68 PolarHBondContact OD1-N 2.9Å; D66-A68 VanDerWaalsContact OD1-N 3.1Å; A68-L70 VanDerWaalsContact C-N 3.3Å; A68-L70 PolarHBondContact O-N 2.89Å; A68-Q71 WeakPolarHBondContact O-CB 3.2Å; A68-Q71 PolarHBondContact O-N 2.87Å; A68-Q71 VanDerWaalsContact O-N 3.11Å; A68-E72 PolarHBondContact O-N 2.53Å
69R97.2Very high94.7Very high119 Ų11949.7 Ų49.745%0.44927%0.273SS..Hα-helixtrans-65.4-32.1176.6-69.4-177.9-176.8171.43.4113.2D66 V73D66-R69 HydrophobicContact CB-CB 4.14Å; D66-R69 HydrophobicContact CB-CG 4.36Å; D66-R69 PolarHBondContact OD1-N 2.8Å; D66-R69 WeakPolarHBondContact OD2-CD 3.48Å; D66-R69 VanDerWaalsContact OD2-CG 3.29Å; D66-R69 WeakPolarHBondContact OD2-CG 3.28Å; D66-R69 IonicContact OD2-CZ 3.85Å; D66-R69 IonicContact OD2-NE 3.31Å; D66-R69 PolarHBondContact OD2-NE 3.18Å; R69-V73 WeakPolarHBondContact O-CG2 3.43Å; R69-V73 PolarHBondContact O-N 2.85Å
70L97.9Very high92.9Very high0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-65.2-42.9172.5-73.2172.7000110.9A41 L62 D66 A67 A68 E72 V73 V74 T93 V95A41-L70 HydrophobicContact CB-CD2 4.05Å; L62-L70 HydrophobicContact CB-CD2 3.98Å; D66-L70 WeakPolarHBondContact O-CG 3.35Å; D66-L70 PolarHBondContact O-N 3.37Å; A67-L70 PolarHBondContact O-N 2.98Å; A68-L70 VanDerWaalsContact C-N 3.3Å; A68-L70 PolarHBondContact O-N 2.89Å; L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 2.74Å; L70-V73 WeakPolarHBondContact O-CB 3.21Å; L70-V73 PolarHBondContact O-N 2.73Å; L70-V73 VanDerWaalsContact O-N 3.15Å; L70-V74 WeakPolarHBondContact O-CG2 3.48Å; L70-V74 PolarHBondContact O-N 3.31Å; L70-T93 HydrophobicContact CB-CG2 4Å; L70-V95 HydrophobicContact CD1-CG2 4.09Å
71Q97.4Very high90.9Very high83 Ų8354.1 Ų54.139%0.38831%0.308SS..Hα-helixtrans-63.6-38.8176-69.9-56.5-33.500112.3A67 A68 V73 V74 Q75 T93A67-Q71 WeakPolarHBondContact O-CG 3.28Å; A67-Q71 PolarHBondContact O-N 2.89Å; A68-Q71 WeakPolarHBondContact O-CB 3.2Å; A68-Q71 PolarHBondContact O-N 2.87Å; A68-Q71 VanDerWaalsContact O-N 3.11Å; Q71-V73 VanDerWaalsContact C-N 3.26Å; Q71-V73 PolarHBondContact O-N 3.16Å; Q71-V74 WeakPolarHBondContact O-CB 3.46Å; Q71-V74 PolarHBondContact O-N 2.92Å; Q71-V74 VanDerWaalsContact O-N 3.1Å; Q71-Q75 WeakPolarHBondContact O-CG 3.29Å; Q71-Q75 PolarHBondContact O-N 2.88Å; Q71-T93 PolarHBondContact NE2-OG1 3.04Å
72E96.6Very high88.5Confident105 Ų10558.5 Ų58.549%0.49135%0.345SS..Hα-helixtrans-55.5-42.7171.7-70.5170.4-163.300112A68 L70 Q75 E76A68-E72 PolarHBondContact O-N 2.53Å; L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 2.74Å; E72-Q75 PolarHBondContact O-N 3.12Å; E72-E76 VanDerWaalsContact O-CB 3.29Å; E72-E76 WeakPolarHBondContact O-CB 3.39Å; E72-E76 PolarHBondContact O-N 2.85Å
73V97.1Very high86.4Confident0 Ų063.8 Ų63.80%037%0.373CS..Hα-helixtrans-66.3-40.9176.3178.90000111R47 A50 L62 R69 L70 Q71 Q75 E76 L77R47-V73 HydrophobicContact CG-CG1 4.42Å; R47-V73 HydrophobicContact CG-CG2 3.8Å; A50-V73 HydrophobicContact CB-CG1 4.17Å; L62-V73 HydrophobicContact CD1-CB 4.27Å; L62-V73 HydrophobicContact CD1-CG1 3.73Å; R69-V73 WeakPolarHBondContact O-CG2 3.43Å; R69-V73 PolarHBondContact O-N 2.85Å; L70-V73 WeakPolarHBondContact O-CB 3.21Å; L70-V73 PolarHBondContact O-N 2.73Å; L70-V73 VanDerWaalsContact O-N 3.15Å; Q71-V73 VanDerWaalsContact C-N 3.26Å; Q71-V73 PolarHBondContact O-N 3.16Å; V73-Q75 PolarHBondContact O-N 3.43Å; V73-E76 PolarHBondContact O-N 3Å; V73-L77 HydrophobicContact CG1-CD1 3.92Å; V73-L77 HydrophobicContact CG1-CG 4.26Å; V73-L77 WeakPolarHBondContact O-CG 3.47Å; V73-L77 PolarHBondContact O-N 3.25Å
74V96.5Very high84.4Confident21 Ų2167.5 Ų67.513%0.12741%0.411CS..Hα-helixtrans-58.1-49.6175.4174.50000110.9L62 L70 Q71 E76 L77 G78 P91 T93L62-V74 HydrophobicContact CD1-CG2 4.26Å; L70-V74 WeakPolarHBondContact O-CG2 3.48Å; L70-V74 PolarHBondContact O-N 3.31Å; Q71-V74 WeakPolarHBondContact O-CB 3.46Å; Q71-V74 PolarHBondContact O-N 2.92Å; Q71-V74 VanDerWaalsContact O-N 3.1Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-E76 PolarHBondContact O-N 3.25Å; V74-L77 PolarHBondContact O-N 3.2Å; V74-G78 PolarHBondContact O-N 2.78Å; V74-P91 HydrophobicContact CG2-CB 4.27Å; V74-T93 HydrophobicContact CG2-CG2 3.52Å
75Q94.6Very high82.9Confident134 Ų13477.1 Ų77.163%0.62645%0.445SS*.Hα-helixtrans-62.5-43-179.5-64.8-54.1-29.400111.9Q71 E72 V73 L77 G78 G79Q71-Q75 WeakPolarHBondContact O-CG 3.29Å; Q71-Q75 PolarHBondContact O-N 2.88Å; E72-Q75 PolarHBondContact O-N 3.12Å; V73-Q75 PolarHBondContact O-N 3.43Å; Q75-L77 VanDerWaalsContact C-N 3.31Å; Q75-L77 PolarHBondContact O-N 2.76Å; Q75-G78 PolarHBondContact O-N 2.9Å; Q75-G79 PolarHBondContact O-N 3.34Å
76E93.4Very high82Confident45 Ų4577.1 Ų77.121%0.2145%0.445CS..Hα-helixtrans-61.5-37.9176.5172168.3-127.900113.2R47 R51 E72 V73 V74 N80R47-E76 IonicContact CZ-OE2 3.35Å; R47-E76 IonicContact NE-OE2 3.16Å; R47-E76 PolarHBondContact NE-OE2 3.41Å; R47-E76 VanDerWaalsContact NH2-CD 3.27Å; R47-E76 IonicContact NH2-OE1 3.97Å; R47-E76 PolarHBondContact NH2-OE1 3.4Å; R47-E76 IonicContact NH2-OE2 2.62Å; R47-E76 PolarHBondContact NH2-OE2 3.33Å; R51-E76 IonicContact CZ-OE1 3.72Å; R51-E76 IonicContact CZ-OE2 3.35Å; R51-E76 VanDerWaalsContact CZ-OE2 3.22Å; R51-E76 IonicContact NH1-OE1 3.67Å; R51-E76 PolarHBondContact NH1-OE1 2.79Å; R51-E76 IonicContact NH1-OE2 3.95Å; R51-E76 PolarHBondContact NH1-OE2 2.96Å; R51-E76 IonicContact NH2-OE1 3.88Å; R51-E76 PolarHBondContact NH2-OE1 3.24Å; R51-E76 IonicContact NH2-OE2 3.11Å; R51-E76 PolarHBondContact NH2-OE2 3.07Å; E72-E76 VanDerWaalsContact O-CB 3.29Å; E72-E76 WeakPolarHBondContact O-CB 3.39Å; E72-E76 PolarHBondContact O-N 2.85Å; V73-E76 PolarHBondContact O-N 3Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-E76 PolarHBondContact O-N 3.25Å; E76-N80 PolarHBondContact O-ND2 3.25Å
77L92.2Very high81.6Confident5 Ų580.7 Ų80.73%0.02646%0.46CS..Hα-helixtrans-74.2-35.1177.3-65.8177.7000111.9A50 R51 H54 L60 L62 V73 V74 Q75 P91A50-L77 HydrophobicContact CB-CD1 4.13Å; R51-L77 HydrophobicContact CB-CD2 4.2Å; R51-L77 HydrophobicContact CG-CD2 3.9Å; H54-L77 HydrophobicContact CB-CD1 4.16Å; H54-L77 HydrophobicContact CB-CD2 3.98Å; H54-L77 PolarHBondContact CE1-O 3.27Å; L60-L77 HydrophobicContact CD1-CD1 4.12Å; L62-L77 HydrophobicContact CD1-CD1 4.33Å; V73-L77 HydrophobicContact CG1-CD1 3.92Å; V73-L77 HydrophobicContact CG1-CG 4.26Å; V73-L77 WeakPolarHBondContact O-CG 3.47Å; V73-L77 PolarHBondContact O-N 3.25Å; V74-L77 PolarHBondContact O-N 3.2Å; Q75-L77 VanDerWaalsContact C-N 3.31Å; Q75-L77 PolarHBondContact O-N 2.76Å; L77-P91 HydrophobicContact CB-CG 4.17Å; L77-P91 HydrophobicContact CD1-CG 3.75Å
78G83Confident81.2Confident50 Ų5080.6 Ų80.652%0.51545%0.454SS..Hα-helixtrans-65.5-37.7175.200000113.6V74 Q75 N80V74-G78 PolarHBondContact O-N 2.78Å; Q75-G78 PolarHBondContact O-N 2.9Å; G78-N80 VanDerWaalsContact C-N 3.33Å; G78-N80 PolarHBondContact O-N 2.78Å
79G68.4Low81Confident66 Ų6679.3 Ų79.368%0.6844%0.437SS*.THydrogen-bonded Turntrans-75.3-12.7-178.900000115.8Q75Q75-G79 PolarHBondContact O-N 3.34Å
80N60Low80.8Confident105 Ų10577.6 Ų77.656%0.56145%0.448SS*.THydrogen-bonded Turntrans-106.725.2-169.9-80.9-51.7000114.9E76 G78 A82E76-N80 PolarHBondContact O-ND2 3.25Å; G78-N80 VanDerWaalsContact C-N 3.33Å; G78-N80 PolarHBondContact O-N 2.78Å; N80-A82 PolarHBondContact O-N 2.67Å
81S55.6Low80.8Confident70 Ų7078.2 Ų78.249%0.4945%0.452SS..  trans-71.632.5176.9-73.10000114.4D83 T88S81-D83 PolarHBondContact O-N 3.37Å; S81-T88 PolarHBondContact OG-OG1 3.41Å
82A49.3Very low80.8Confident92 Ų9276 Ų7676%0.7645%0.446SS*.THydrogen-bonded Turntrans-88.226.9-162.300000116.3N80N80-A82 PolarHBondContact O-N 2.67Å
83D54.4Low80.9Confident111 Ų11173 Ų7359%0.59444%0.435SS*.THydrogen-bonded Turntrans-138.63.3169.9-152.121.7000115.2S81 R85S81-D83 PolarHBondContact O-N 3.37Å; D83-R85 WeakPolarHBondContact O-CG 3.37Å; D83-R85 PolarHBondContact O-N 3Å; D83-R85 IonicContact OD2-NE 2.7Å; D83-R85 IonicContact OD2-NH1 3.18Å
84G56.5Low81Confident79 Ų7973.2 Ų73.281%0.81444%0.436SS*.  trans58.5-7.7167.700000118.4
85R65.6Low81Confident211 Ų21175.4 Ų75.480%0.79645%0.449SS*.SBendtrans-82.3-16.3-169.4-76.1167.8-177.1-169.7-1.1114.1D83D83-R85 WeakPolarHBondContact O-CG 3.37Å; D83-R85 PolarHBondContact O-N 3Å; D83-R85 IonicContact OD2-NE 2.7Å; D83-R85 IonicContact OD2-NH1 3.18Å
86R75.6Confident81.1Confident155 Ų15569.9 Ų69.959%0.58542%0.423SS*.SBendtrans-143.3137.7-179.6-68.9-174.8-176.1150.74.5110.8T88R86-T88 PolarHBondContact O-N 3.48Å
87Q86.4Confident81.2Confident132 Ų13270 Ų7062%0.61743%0.425SS*.  trans-65126.1173.5-176.1178.619.100109.8Q32 G57 F89Q32-Q87 PolarHBondContact NE2-O 3.25Å; G57-Q87 WeakPolarHBondContact CA-O 3.49Å; Q87-F89 HydrophobicContact CG-CE1 4.3Å; Q87-F89 HydrophobicContact CG-CE2 4.37Å; Q87-F89 HydrophobicContact CG-CZ 3.96Å
88T90.4Very high81.3Confident47 Ų4770.2 Ų70.229%0.28843%0.427SS..  trans-106.6162.9172.853.40000109.8S81 R86S81-T88 PolarHBondContact OG-OG1 3.41Å; R86-T88 PolarHBondContact O-N 3.48Å
89F92.9Very high81.8Confident35 Ų3569.1 Ų69.115%0.15441%0.412CS..  trans-131.6139.3-178.5-58.8-86000109.1H54 G57 R59 Q87 P91H54-F89 PolarHBondContact CD2-O 3.44Å; H54-F89 PolarHBondContact NE2-O 3.01Å; G57-F89 WeakPolarHBondContact O-CE2 3.4Å; R59-F89 HydrophobicContact CG-CB 4.01Å; R59-F89 HydrophobicContact CG-CD1 4.1Å; R59-F89 HydrophobicContact CG-CD2 3.57Å; R59-F89 HydrophobicContact CG-CE2 4.05Å; R59-F89 HydrophobicContact CG-CG 3.61Å; R59-F89 VanDerWaalsContact NH2-CE1 3.32Å; Q87-F89 HydrophobicContact CG-CE1 4.3Å; Q87-F89 HydrophobicContact CG-CE2 4.37Å; Q87-F89 HydrophobicContact CG-CZ 3.96Å; F89-P91 WeakPolarHBondContact O-CD 3.26Å
90A93.9Very high83Confident83 Ų8372.9 Ų72.969%0.68641%0.406SS*.PPolyproline II helixtrans-57.4124.1173.700000109.9Y115A90-Y115 PolarHBondContact O-OH 3.36Å
91P96.7Very high83.8Confident14 Ų1471 Ų719%0.09140%0.398CS..PPolyproline II helixtrans-65.7142.4177.9-19.831.1000112.1L60 L62 V74 L77 F89L60-P91 HydrophobicContact CB-CB 4.02Å; L60-P91 HydrophobicContact CB-CG 4.5Å; L60-P91 WeakPolarHBondContact O-CA 3.37Å; L62-P91 HydrophobicContact CD1-CB 3.87Å; L62-P91 HydrophobicContact CD1-CG 4.47Å; L62-P91 HydrophobicContact CG-CB 4.06Å; V74-P91 HydrophobicContact CG2-CB 4.27Å; L77-P91 HydrophobicContact CB-CG 4.17Å; L77-P91 HydrophobicContact CD1-CG 3.75Å; F89-P91 WeakPolarHBondContact O-CD 3.26Å
92S97.9Very high85.1Confident35 Ų3573.6 Ų73.625%0.24541%0.406CS..EExtended strand (participates in β ladder)trans-90.8158.1164.8-55.50000110.6L60 V61 L62L60-S92 PolarHBondContact O-N 3.23Å; V61-S92 CarbonylContact C-O 3.6Å; V61-S92 WeakPolarHBondContact CA-O 3.36Å; L62-S92 PolarHBondContact N-O 3.45Å
93T98.4Very high87Confident43 Ų4370.3 Ų70.326%0.26438%0.378SS..EExtended strand (participates in β ladder)trans-125.7140178.158.70000111.2L62 L70 Q71 V74L62-T93 HydrophobicContact CB-CG2 4.43Å; L62-T93 VanDerWaalsContact O-CA 3.3Å; L62-T93 WeakPolarHBondContact O-CA 3.35Å; L70-T93 HydrophobicContact CB-CG2 4Å; Q71-T93 PolarHBondContact NE2-OG1 3.04Å; V74-T93 HydrophobicContact CG2-CG2 3.52Å
94V98.3Very high88.8Confident4 Ų465 Ų652%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-128.3122.8172.1176.50000108.6V61 L62 C63 G64 F96 A107 E110 I111V61-V94 HydrophobicContact CG1-CB 4.45Å; V61-V94 HydrophobicContact CG1-CG2 3.76Å; L62-V94 PolarHBondContact O-N 3.19Å; C63-V94 WeakPolarHBondContact CA-O 3.48Å; G64-V94 PolarHBondContact N-O 2.7Å; V94-F96 HydrophobicContact CG1-CD1 4.07Å; V94-A107 HydrophobicContact CG1-CB 4.11Å; V94-E110 HydrophobicContact CG1-CB 4.04Å; V94-E110 HydrophobicContact CG2-CB 4.19Å; V94-I111 HydrophobicContact CB-CG1 4.17Å; V94-I111 HydrophobicContact CG1-CG1 4.19Å; V94-I111 HydrophobicContact CG2-CG1 3.91Å
95V97.8Very high90.5Very high67 Ų6763.9 Ų63.941%0.40633%0.333SS..EExtended strand (participates in β ladder)trans-103.3114.5-171.9-176.20000109.8G64 A67 L70G64-V95 VanDerWaalsContact O-CA 3.29Å; G64-V95 WeakPolarHBondContact O-CA 3.39Å; A67-V95 HydrophobicContact CB-CG1 4.45Å; A67-V95 HydrophobicContact CB-CG2 3.87Å; L70-V95 HydrophobicContact CD1-CG2 4.09Å
96F97.1Very high91.9Very high19 Ų1960.8 Ų60.88%0.08333%0.325CS..  trans-159.5163176.373.5-76.8000111.7C63 G64 R65 V94 L98 V104 A107 L155C63-F96 HydrophobicContact CB-CD1 4.49Å; C63-F96 HydrophobicContact CB-CE1 3.68Å; C63-F96 HydrophobicContact CB-CZ 4.45Å; G64-F96 CarbonylContact C-O 3.58Å; G64-F96 PolarHBondContact O-N 3.28Å; R65-F96 VanDerWaalsContact CG-O 3.28Å; R65-F96 WeakPolarHBondContact CG-O 3.44Å; V94-F96 HydrophobicContact CG1-CD1 4.07Å; F96-L98 HydrophobicContact CE2-CB 4.15Å; F96-L98 HydrophobicContact CE2-CD1 3.59Å; F96-L98 HydrophobicContact CE2-CG 4.49Å; F96-L98 HydrophobicContact CZ-CD1 4.01Å; F96-V104 HydrophobicContact CD2-CG2 4.4Å; F96-V104 HydrophobicContact CE2-CG2 4.19Å; F96-A107 HydrophobicContact CB-CB 3.91Å; F96-A107 HydrophobicContact CD1-CB 3.55Å; F96-A107 HydrophobicContact CD2-CB 3.83Å; F96-A107 HydrophobicContact CE1-CB 3.89Å; F96-A107 HydrophobicContact CE2-CB 4.17Å; F96-A107 HydrophobicContact CG-CB 3.5Å; F96-A107 VanDerWaalsContact CG-CB 3.5Å; F96-A107 HydrophobicContact CZ-CB 4.21Å; F96-L155 HydrophobicContact CZ-CD1 4.41Å; F96-L155 HydrophobicContact CZ-CD2 4.14Å
97D95.7Very high92.9Very high46 Ų4653.5 Ų53.525%0.24630%0.298CS..  trans-96.6114.2171.3-164.6-24.4000110.6R65 A99 R100 S103R65-D97 WeakPolarHBondContact CD-OD1 3.4Å; R65-D97 WeakPolarHBondContact CD-OD2 3.32Å; R65-D97 HydrophobicContact CG-CB 4.03Å; R65-D97 IonicContact NH1-OD1 3.22Å; R65-D97 IonicContact NH1-OD2 3.05Å; R65-D97 PolarHBondContact NH1-OD2 2.81Å; R65-D97 VanDerWaalsContact NH1-OD2 3.16Å; D97-A99 PolarHBondContact O-N 3.45Å; D97-A99 WeakPolarHBondContact OD1-CB 3.43Å; D97-A99 PolarHBondContact OD1-N 2.92Å; D97-R100 HydrophobicContact CB-CG 4.15Å; D97-R100 PolarHBondContact O-N 3.38Å; D97-S103 PolarHBondContact O-OG 2.64Å
98L93.6Very high93.5Very high11 Ų1147.4 Ų47.46%0.05827%0.27CS..THydrogen-bonded Turntrans-62.7-23.6179.7-16864.7000112.7F96 R100 V104 A125 G151 L155F96-L98 HydrophobicContact CE2-CB 4.15Å; F96-L98 HydrophobicContact CE2-CD1 3.59Å; F96-L98 HydrophobicContact CE2-CG 4.49Å; F96-L98 HydrophobicContact CZ-CD1 4.01Å; L98-R100 VanDerWaalsContact C-N 3.28Å; L98-R100 PolarHBondContact O-N 2.98Å; L98-V104 HydrophobicContact CD1-CG2 4.49Å; L98-A125 HydrophobicContact CD2-CB 3.61Å; L98-G151 WeakPolarHBondContact CD1-O 3.28Å; L98-G151 WeakPolarHBondContact O-CA 3.35Å; L98-L155 HydrophobicContact CD1-CB 4.1Å; L98-L155 HydrophobicContact CD1-CD2 4.25Å
99A93.9Very high93.8Very high26 Ų2650.5 Ų50.522%0.21528%0.281CS..THydrogen-bonded Turntrans-76.2-13.2175.100000113.1D97 E146D97-A99 PolarHBondContact O-N 3.45Å; D97-A99 WeakPolarHBondContact OD1-CB 3.43Å; D97-A99 PolarHBondContact OD1-N 2.92Å; A99-E146 HydrophobicContact CB-CB 4.26Å
100R92.5Very high94Very high145 Ų14553.2 Ų53.255%0.54730%0.295SS..  trans-102.195.1177.4-58.4-146-231115.6110.7D97 L98 D102 S103 V104D97-R100 HydrophobicContact CB-CG 4.15Å; D97-R100 PolarHBondContact O-N 3.38Å; L98-R100 VanDerWaalsContact C-N 3.28Å; L98-R100 PolarHBondContact O-N 2.98Å; R100-D102 PolarHBondContact O-N 3.45Å; R100-D102 VanDerWaalsContact O-N 3.15Å; R100-S103 WeakPolarHBondContact O-CB 3.43Å; R100-S103 PolarHBondContact O-N 3.42Å; R100-S103 PolarHBondContact O-OG 2.99Å; R100-V104 PolarHBondContact O-N 2.81Å
101V78.2Confident94.2Very high66 Ų6649.3 Ų49.340%0.426%0.262SS..Hα-helixtrans-49.7-42-178179.10000112.6S103 V104V101-S103 PolarHBondContact O-N 3.34Å; V101-S103 VanDerWaalsContact O-N 3.16Å; V101-V104 WeakPolarHBondContact O-CB 3.27Å; V101-V104 PolarHBondContact O-N 3.26Å
102D81.1Confident94.3Very high124 Ų12450.8 Ų50.866%0.66327%0.269SS*.Hα-helixtrans-61.1-27.2179.3-55.8-30.5000113.7R100R100-D102 PolarHBondContact O-N 3.45Å; R100-D102 VanDerWaalsContact O-N 3.15Å
103S89.9Confident94.3Very high23 Ų2356.6 Ų56.616%0.16129%0.29CS..Hα-helixtrans-82.1-21.2177.675.50000112.8D97 R100 V101 K106 A107D97-S103 PolarHBondContact O-OG 2.64Å; R100-S103 WeakPolarHBondContact O-CB 3.43Å; R100-S103 PolarHBondContact O-N 3.42Å; R100-S103 PolarHBondContact O-OG 2.99Å; V101-S103 PolarHBondContact O-N 3.34Å; V101-S103 VanDerWaalsContact O-N 3.16Å; S103-K106 PolarHBondContact O-N 2.82Å; S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 3.08Å
104V92.8Very high94.2Very high0 Ų056.6 Ų56.60%029%0.291CS..Hα-helixtrans-69.6-37.1-173.8178.70000111.8F96 L98 R100 V101 A107 A108 S154 L155F96-V104 HydrophobicContact CD2-CG2 4.4Å; F96-V104 HydrophobicContact CE2-CG2 4.19Å; L98-V104 HydrophobicContact CD1-CG2 4.49Å; R100-V104 PolarHBondContact O-N 2.81Å; V101-V104 WeakPolarHBondContact O-CB 3.27Å; V101-V104 PolarHBondContact O-N 3.26Å; V104-A107 PolarHBondContact O-N 3.09Å; V104-A108 WeakPolarHBondContact O-CB 3.23Å; V104-A108 PolarHBondContact O-N 3.12Å; V104-S154 WeakPolarHBondContact CB-OG 3.31Å; V104-S154 WeakPolarHBondContact CG1-OG 3.43Å; V104-L155 HydrophobicContact CG1-CB 3.75Å; V104-L155 HydrophobicContact CG1-CD1 4.01Å
105A92.2Very high94.2Very high56 Ų5659.4 Ų59.446%0.46330%0.302SS..Hα-helixtrans-61.4-48.9177.100000111.6A107 A108 E109A105-A107 PolarHBondContact O-N 3.15Å; A105-A108 WeakPolarHBondContact O-CB 3.46Å; A105-A108 PolarHBondContact O-N 3.23Å; A105-E109 PolarHBondContact O-N 2.88Å; A105-E109 VanDerWaalsContact O-N 3.11Å
106K95.3Very high94.1Very high145 Ų14559 Ų5963%0.6331%0.31SS*.Hα-helixtrans-61.9-42.9175.5-65.5-177-179.5-178.80111.7S103 A108 E109 E110S103-K106 PolarHBondContact O-N 2.82Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 3.42Å; K106-E109 WeakPolarHBondContact O-CB 3.41Å; K106-E109 PolarHBondContact O-N 3.48Å; K106-E110 WeakPolarHBondContact O-CG 3.31Å; K106-E110 PolarHBondContact O-N 3.43Å
107A97Very high94.1Very high2 Ų260.6 Ų60.62%0.01732%0.318CS..Hα-helixtrans-61.7-38.8176.200000112.2V94 F96 S103 V104 A105 E110 I111V94-A107 HydrophobicContact CG1-CB 4.11Å; F96-A107 HydrophobicContact CB-CB 3.91Å; F96-A107 HydrophobicContact CD1-CB 3.55Å; F96-A107 HydrophobicContact CD2-CB 3.83Å; F96-A107 HydrophobicContact CE1-CB 3.89Å; F96-A107 HydrophobicContact CE2-CB 4.17Å; F96-A107 HydrophobicContact CG-CB 3.5Å; F96-A107 VanDerWaalsContact CG-CB 3.5Å; F96-A107 HydrophobicContact CZ-CB 4.21Å; S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 3.08Å; V104-A107 PolarHBondContact O-N 3.09Å; A105-A107 PolarHBondContact O-N 3.15Å; A107-E110 PolarHBondContact O-N 3.35Å; A107-I111 WeakPolarHBondContact O-CB 3.49Å; A107-I111 WeakPolarHBondContact O-CD1 3.42Å; A107-I111 WeakPolarHBondContact O-CG1 3.43Å; A107-I111 PolarHBondContact O-N 3.13Å
108A97.5Very high94.2Very high4 Ų458.4 Ų58.43%0.03331%0.307CS..Hα-helixtrans-64.4-40.5176.300000112V104 A105 K106 I111 L112 L155 A158 L159V104-A108 WeakPolarHBondContact O-CB 3.23Å; V104-A108 PolarHBondContact O-N 3.12Å; A105-A108 WeakPolarHBondContact O-CB 3.46Å; A105-A108 PolarHBondContact O-N 3.23Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 3.42Å; A108-I111 PolarHBondContact O-N 2.99Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 VanDerWaalsContact O-CG 3.31Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 2.9Å; A108-L155 HydrophobicContact CB-CD1 4.44Å; A108-A158 HydrophobicContact CB-CB 3.49Å; A108-A158 VanDerWaalsContact CB-CB 3.49Å; A108-L159 HydrophobicContact CB-CD2 3.89Å; A108-L159 HydrophobicContact CB-CG 4.21Å
109E97.1Very high94.5Very high112 Ų11258.4 Ų58.452%0.52331%0.307SS..Hα-helixtrans-61.6-45.4172.3-68.1176.2-163.300111.9A105 K106 L112 K113A105-E109 PolarHBondContact O-N 2.88Å; A105-E109 VanDerWaalsContact O-N 3.11Å; K106-E109 WeakPolarHBondContact O-CB 3.41Å; K106-E109 PolarHBondContact O-N 3.48Å; E109-L112 PolarHBondContact O-N 2.78Å; E109-K113 VanDerWaalsContact O-CG 3.29Å; E109-K113 WeakPolarHBondContact O-CG 3.06Å; E109-K113 PolarHBondContact O-N 3.31Å
110E98Very high94.7Very high93 Ų9357.5 Ų57.544%0.43530%0.299SS..Hα-helixtrans-61.6-43.7176.5-72.4177.7-166.200112.1V94 K106 A107 L112 K113 C114V94-E110 HydrophobicContact CG1-CB 4.04Å; V94-E110 HydrophobicContact CG2-CB 4.19Å; K106-E110 WeakPolarHBondContact O-CG 3.31Å; K106-E110 PolarHBondContact O-N 3.43Å; A107-E110 PolarHBondContact O-N 3.35Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 2.77Å; E110-K113 WeakPolarHBondContact O-CB 3.23Å; E110-K113 PolarHBondContact O-N 2.8Å; E110-C114 PolarHBondContact O-N 3.22Å; E110-C114 PolarHBondContact O-SG 3.37Å; E110-C114 VanDerWaalsContact O-SG 3.34Å
111I98.3Very high95Very high0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-57.6-46.6174.7-73.7161.5000110.6V37 V61 V94 A107 A108 K113 C114 V118 L155 L159V37-I111 HydrophobicContact CG1-CD1 4.05Å; V37-I111 HydrophobicContact CG1-CG1 4.47Å; V37-I111 HydrophobicContact CG1-CG2 4.33Å; V37-I111 HydrophobicContact CG2-CG2 3.47Å; V37-I111 VanDerWaalsContact CG2-CG2 3.47Å; V61-I111 HydrophobicContact CG1-CG1 4.06Å; V94-I111 HydrophobicContact CB-CG1 4.17Å; V94-I111 HydrophobicContact CG1-CG1 4.19Å; V94-I111 HydrophobicContact CG2-CG1 3.91Å; A107-I111 WeakPolarHBondContact O-CB 3.49Å; A107-I111 WeakPolarHBondContact O-CD1 3.42Å; A107-I111 WeakPolarHBondContact O-CG1 3.43Å; A107-I111 PolarHBondContact O-N 3.13Å; A108-I111 PolarHBondContact O-N 2.99Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.43Å; I111-C114 WeakPolarHBondContact O-CB 3.32Å; I111-C114 PolarHBondContact O-N 3.31Å; I111-V118 HydrophobicContact CG2-CG2 3.7Å; I111-L155 HydrophobicContact CD1-CD1 3.92Å; I111-L159 HydrophobicContact CB-CD2 4.48Å; I111-L159 HydrophobicContact CD1-CD1 4.46Å; I111-L159 HydrophobicContact CG2-CD1 4.37Å; I111-L159 HydrophobicContact CG2-CD2 4.08Å
112L97.8Very high96Very high46 Ų4647.5 Ų47.524%0.24125%0.254CS..Hα-helixtrans-67.3-33.4179-71.6170.4000111.7A108 E109 E110 C114 G116 V118 L159A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 VanDerWaalsContact O-CG 3.31Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 2.9Å; E109-L112 PolarHBondContact O-N 2.78Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 2.77Å; L112-C114 PolarHBondContact O-N 2.73Å; L112-G116 WeakPolarHBondContact O-CA 3.32Å; L112-G116 PolarHBondContact O-N 3.23Å; L112-V118 HydrophobicContact CD2-CG2 4.25Å; L112-L159 HydrophobicContact CD1-CD2 4.22Å; L112-L159 HydrophobicContact CD2-CD2 4.17Å; L112-L159 HydrophobicContact CG-CD2 3.88Å
113K97.8Very high96.8Very high157 Ų15741.8 Ų41.868%0.68322%0.223SC*.Hα-helixtrans-64-25.8175.5-74.4168.8-171.8169.70113.2E109 E110 I111E109-K113 VanDerWaalsContact O-CG 3.29Å; E109-K113 WeakPolarHBondContact O-CG 3.06Å; E109-K113 PolarHBondContact O-N 3.31Å; E110-K113 WeakPolarHBondContact O-CB 3.23Å; E110-K113 PolarHBondContact O-N 2.8Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.43Å
114C97.2Very high97.2Very high42 Ų4241.9 Ų41.928%0.28422%0.222SC..Hα-helixtrans-62.5-44.3-179.8-61.20000113.1V61 E110 I111 L112V61-C114 HydrophobicContact CG2-CB 3.94Å; E110-C114 PolarHBondContact O-N 3.22Å; E110-C114 PolarHBondContact O-SG 3.37Å; E110-C114 VanDerWaalsContact O-SG 3.34Å; I111-C114 WeakPolarHBondContact O-CB 3.32Å; I111-C114 PolarHBondContact O-N 3.31Å; L112-C114 PolarHBondContact O-N 2.73Å
115Y96.9Very high97.4Very high64 Ų6442.9 Ų42.925%0.25123%0.23SC..Hα-helixtrans-142.18.4-173.5-62.4-71000114.4V35 R59 V61 A90 H117V35-Y115 HydrophobicContact CG1-CD2 3.69Å; V35-Y115 HydrophobicContact CG1-CG 4.19Å; V35-Y115 HydrophobicContact CG2-CD2 4.18Å; V35-Y115 HydrophobicContact CG2-CG 3.91Å; R59-Y115 HydrophobicContact CB-CD2 4.4Å; R59-Y115 HydrophobicContact CB-CE1 4.14Å; R59-Y115 HydrophobicContact CB-CE2 3.98Å; R59-Y115 HydrophobicContact CG-CE1 4.22Å; V61-Y115 HydrophobicContact CG2-CD2 3.84Å; V61-Y115 HydrophobicContact CG2-CE2 3.87Å; A90-Y115 PolarHBondContact O-OH 3.36Å; Y115-H117 PolarHBondContact O-N 3.06Å; Y115-H117 VanDerWaalsContact O-N 3.16Å; Y115-H117 PolarHBondContact O-ND1 3.41Å
116G96.1Very high97.6Very high57 Ų5742 Ų4259%0.58823%0.227SC*.SBendtrans76.2-12.8-17900000115.2L112L112-G116 WeakPolarHBondContact O-CA 3.32Å; L112-G116 PolarHBondContact O-N 3.23Å
117H97.3Very high97.6Very high53 Ų5336.7 Ų36.725%0.24521%0.205CC..  trans-160.8168.2-174.966.5-73.5000112.7V35 Y115 D119 R166V35-H117 VanDerWaalsContact CG1-O 3.23Å; V35-H117 WeakPolarHBondContact CG1-O 3.47Å; Y115-H117 PolarHBondContact O-N 3.06Å; Y115-H117 VanDerWaalsContact O-N 3.16Å; Y115-H117 PolarHBondContact O-ND1 3.41Å; H117-D119 IonicContact CD2-OD1 3.21Å; H117-D119 IonicContact NE2-OD2 2.8Å; H117-R166 PolarHBondContact CD2-NH1 2.98Å
118V98.5Very high97.6Very high1 Ų136.9 Ų36.91%0.00621%0.206CC..  trans-126.7121.2173.1-179.70000109.8V37 I111 L112 V120 L121 L159 M163 R166V37-V118 HydrophobicContact CB-CG1 4.26Å; V37-V118 HydrophobicContact CG2-CB 4.27Å; V37-V118 HydrophobicContact CG2-CG1 3.61Å; V37-V118 HydrophobicContact CG2-CG2 3.63Å; I111-V118 HydrophobicContact CG2-CG2 3.7Å; L112-V118 HydrophobicContact CD2-CG2 4.25Å; V118-V120 WeakPolarHBondContact CG1-O 3.39Å; V118-L121 HydrophobicContact CG1-CB 4.39Å; V118-L159 HydrophobicContact CG2-CD1 4.38Å; V118-L159 HydrophobicContact CG2-CD2 4.19Å; V118-M163 HydrophobicContact CB-CE 3.9Å; V118-M163 HydrophobicContact CG1-CE 3.6Å; V118-R166 PolarHBondContact O-NH2 2.78Å
119D98.6Very high97.5Very high10 Ų1036.7 Ų36.75%0.05320%0.204CC..SBendtrans-87.4-36.9175.1-77.1-39.5000112.1A34 V35 H117 R166 R168 G169 H170A34-D119 WeakPolarHBondContact CA-OD2 3.43Å; A34-D119 HydrophobicContact CB-CB 4.08Å; V35-D119 PolarHBondContact N-OD2 2.79Å; V35-D119 WeakPolarHBondContact O-CA 3.42Å; V35-D119 WeakPolarHBondContact O-CB 3.36Å; V35-D119 PolarHBondContact O-N 2.88Å; H117-D119 IonicContact CD2-OD1 3.21Å; H117-D119 IonicContact NE2-OD2 2.8Å; D119-R166 IonicContact OD1-NH1 3.5Å; D119-R168 IonicContact OD1-CZ 3.34Å; D119-R168 IonicContact OD1-NE 2.77Å; D119-R168 PolarHBondContact OD1-NE 3.4Å; D119-R168 IonicContact OD1-NH2 3.2Å; D119-R168 PolarHBondContact OD1-NH2 3.02Å; D119-R168 IonicContact OD2-CZ 3.85Å; D119-R168 IonicContact OD2-NE 4Å; D119-R168 IonicContact OD2-NH2 2.94Å; D119-R168 PolarHBondContact OD2-NH2 2.93Å; D119-G169 CarbonylContact O-C 3.31Å; D119-G169 VanDerWaalsContact O-C 3.31Å; D119-G169 WeakPolarHBondContact O-CA 3.46Å; D119-H170 PolarHBondContact O-N 3.04Å
120V98.8Very high97.4Very high8 Ų832 Ų325%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-136.9124.4178.7-170.60000110V35 V36 V37 V118 I122 H170 V172 V262V35-V120 PolarHBondContact O-N 2.87Å; V36-V120 WeakPolarHBondContact CA-O 3.41Å; V36-V120 HydrophobicContact CB-CB 4.46Å; V36-V120 HydrophobicContact CG1-CB 4.2Å; V36-V120 HydrophobicContact CG1-CG1 4.5Å; V36-V120 HydrophobicContact CG2-CB 4.03Å; V36-V120 HydrophobicContact CG2-CG2 4.17Å; V37-V120 PolarHBondContact N-O 2.94Å; V118-V120 WeakPolarHBondContact CG1-O 3.39Å; V120-I122 HydrophobicContact CG1-CD1 4.5Å; V120-I122 HydrophobicContact CG1-CG1 4Å; V120-H170 CarbonylContact C-O 3.38Å; V120-H170 VanDerWaalsContact CA-O 3.28Å; V120-H170 WeakPolarHBondContact CA-O 3.37Å; V120-H170 HydrophobicContact CG1-CB 4.41Å; V120-H170 HydrophobicContact CG2-CB 4.29Å; V120-V172 HydrophobicContact CG1-CG2 3.91Å; V120-V262 HydrophobicContact CG1-CG1 4.19Å; V120-V262 HydrophobicContact CG1-CG2 4.1Å; V120-V262 HydrophobicContact CG2-CG1 3.98Å
121L98.9Very high97.2Very high1 Ų128 Ų281%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-103.2119169.5173.661.8000109.2V37 V118 L155 L159 M163 H170 V172V37-L121 HydrophobicContact CB-CD1 3.98Å; V37-L121 HydrophobicContact CG1-CD1 3.83Å; V118-L121 HydrophobicContact CG1-CB 4.39Å; L121-L155 HydrophobicContact CD1-CD2 3.89Å; L121-L155 HydrophobicContact CD1-CG 4.36Å; L121-L155 HydrophobicContact CD2-CG 4.45Å; L121-L159 HydrophobicContact CD1-CD1 4.04Å; L121-L159 HydrophobicContact CD2-CD1 4.14Å; L121-M163 HydrophobicContact CB-CE 3.99Å; L121-H170 PolarHBondContact N-O 2.86Å; L121-V172 PolarHBondContact O-N 3.29Å
122I98.9Very high97Very high0 Ų030.2 Ų30.20%018%0.177CC..EExtended strand (participates in β ladder)trans-10596174.6-56.3177.4000108.9V36 V37 I38 T39 F53 V120 N124 V172 I174 V258V36-I122 HydrophobicContact CG1-CD1 3.8Å; V36-I122 HydrophobicContact CG1-CG1 4.27Å; V37-I122 PolarHBondContact O-N 2.83Å; I38-I122 HydrophobicContact CD1-CD1 4.47Å; I38-I122 HydrophobicContact CG1-CB 4.35Å; I38-I122 HydrophobicContact CG1-CD1 4.16Å; T39-I122 PolarHBondContact N-O 3.44Å; T39-I122 PolarHBondContact OG1-O 3.39Å; F53-I122 HydrophobicContact CD2-CD1 4.29Å; F53-I122 HydrophobicContact CE1-CD1 4.1Å; F53-I122 HydrophobicContact CE2-CD1 3.7Å; F53-I122 HydrophobicContact CZ-CD1 3.59Å; V120-I122 HydrophobicContact CG1-CD1 4.5Å; V120-I122 HydrophobicContact CG1-CG1 4Å; I122-N124 HydrophobicContact CG2-CB 4.02Å; I122-N124 PolarHBondContact O-N 3.26Å; I122-V172 CarbonylContact C-O 3.55Å; I122-V172 WeakPolarHBondContact CA-O 3.37Å; I122-V172 HydrophobicContact CG1-CB 4.18Å; I122-V172 HydrophobicContact CG1-CG2 4.42Å; I122-I174 HydrophobicContact CG2-CG1 4.48Å; I122-V258 HydrophobicContact CD1-CG1 4.33Å
123N98.8Very high96.7Very high4 Ų433.5 Ų33.52%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-73.285.9169.9-74.5-50.2000109.9T39 P152 T156 V172 V173 I174T39-N123 WeakPolarHBondContact OG1-CA 3.35Å; N123-P152 HydrophobicContact CB-CB 3.83Å; N123-T156 PolarHBondContact ND2-OG1 3.08Å; N123-V172 PolarHBondContact N-O 3.34Å; N123-V173 HydrophobicContact CB-CB 4.2Å; N123-V173 HydrophobicContact CB-CG2 4.06Å; N123-I174 PolarHBondContact O-N 2.87Å
124N98.6Very high96.6Very high24 Ų2433 Ų3313%0.12820%0.198CC..  trans-109.2-27.2-178.1161.288.8000113.6T39 G40 G46 I122 G126 I174T39-N124 VanDerWaalsContact O-CB 3.29Å; T39-N124 WeakPolarHBondContact O-CB 3.48Å; T39-N124 PolarHBondContact O-ND2 2.81Å; T39-N124 PolarHBondContact OG1-N 3.39Å; G40-N124 PolarHBondContact O-ND2 3.43Å; G46-N124 VanDerWaalsContact CA-ND2 3.31Å; G46-N124 WeakPolarHBondContact CA-ND2 3.44Å; G46-N124 PolarHBondContact N-ND2 2.95Å; I122-N124 HydrophobicContact CG2-CB 4.02Å; I122-N124 PolarHBondContact O-N 3.26Å; N124-G126 PolarHBondContact O-N 3.23Å; N124-I174 HydrophobicContact CB-CB 4.44Å; N124-I174 HydrophobicContact CB-CG1 3.74Å
125A96.6Very high96.4Very high21 Ų2136.2 Ų36.217%0.17421%0.212CC..  trans-56.6142.2178.800000111.7T39 L98T39-A125 PolarHBondContact O-N 3.36Å; T39-A125 PolarHBondContact OG1-N 2.85Å; L98-A125 HydrophobicContact CD2-CB 3.61Å
126G95.7Very high96.3Very high38 Ų3833.9 Ų33.939%0.39221%0.205SC..  trans176.9158.7178.600000111.8N124 N148N124-G126 PolarHBondContact O-N 3.23Å; G126-N148 WeakPolarHBondContact CA-OD1 3.47Å
127I96.2Very high96.4Very high34 Ų3436 Ų3617%0.17420%0.199CC..  trans-110.2158.3170.959.3170.9000110.5V144 T147 N148 Y189 V231I127-V144 HydrophobicContact CD1-CB 4.44Å; I127-V144 HydrophobicContact CD1-CG2 3.85Å; I127-V144 HydrophobicContact CG1-CG2 4.28Å; I127-T147 HydrophobicContact CG1-CG2 4.3Å; I127-T147 HydrophobicContact CG2-CG2 4.25Å; I127-N148 PolarHBondContact N-OD1 2.98Å; I127-N148 PolarHBondContact O-ND2 3.31Å; I127-N148 PolarHBondContact O-OD1 3.28Å; I127-Y189 VanDerWaalsContact O-CD2 3.23Å; I127-Y189 WeakPolarHBondContact O-CD2 3.34Å; I127-Y189 VanDerWaalsContact O-CE2 3.26Å; I127-Y189 WeakPolarHBondContact O-CE2 3.39Å; I127-V231 HydrophobicContact CD1-CG1 4.4Å; I127-V231 HydrophobicContact CD1-CG2 4.26Å
128S95.6Very high96.4Very high5 Ų539.1 Ų39.14%0.03522%0.215CC..  trans-115.7164.4175.6-158.60000109.7R130 A230 V231S128-R130 PolarHBondContact OG-NH1 3.32Å; S128-A230 CarbonylContact O-C 3.39Å; S128-A230 WeakPolarHBondContact O-CA 3.37Å; S128-A230 WeakPolarHBondContact O-CB 3.43Å; S128-V231 PolarHBondContact O-N 3.4Å
129Y96.8Very high96.4Very high0 Ų041.9 Ų41.90%023%0.234CC..EExtended strand (participates in β ladder)trans-137.2146.2-172.5155.6-89.6000111.4G131 T136 V140 R186 S187 A188 V231Y129-G131 VanDerWaalsContact OH-CA 3.24Å; Y129-G131 WeakPolarHBondContact OH-CA 3.26Å; Y129-G131 PolarHBondContact OH-O 2.84Å; Y129-T136 HydrophobicContact CE2-CG2 3.69Å; Y129-T136 WeakPolarHBondContact OH-CB 3.33Å; Y129-T136 PolarHBondContact OH-OG1 3.19Å; Y129-V140 HydrophobicContact CD2-CG1 3.8Å; Y129-V140 HydrophobicContact CE2-CG1 4.02Å; Y129-R186 WeakPolarHBondContact O-CD 3.36Å; Y129-S187 PolarHBondContact OH-OG 3.37Å; Y129-A188 HydrophobicContact CD1-CB 3.85Å; Y129-A188 HydrophobicContact CD2-CB 4.16Å; Y129-A188 HydrophobicContact CE1-CB 4.18Å; Y129-A188 HydrophobicContact CE2-CB 4.45Å; Y129-A188 HydrophobicContact CG-CB 3.84Å; Y129-V231 CarbonylContact C-O 3.57Å; Y129-V231 VanDerWaalsContact CA-O 3.22Å; Y129-V231 WeakPolarHBondContact CA-O 3.06Å; Y129-V231 HydrophobicContact CD2-CG2 4.24Å
130R95.1Very high96.3Very high14 Ų1441.5 Ų41.55%0.05323%0.233CC..EExtended strand (participates in β ladder)trans-135111174-78.987-171.81331.1109.6S128 V231 T232 Y238 D242S128-R130 PolarHBondContact OG-NH1 3.32Å; R130-V231 PolarHBondContact N-O 3.5Å; R130-T232 WeakPolarHBondContact O-CA 3.21Å; R130-Y238 HydrophobicContact CB-CD2 3.79Å; R130-Y238 HydrophobicContact CB-CE2 4.01Å; R130-Y238 HydrophobicContact CB-CG 4.13Å; R130-Y238 HydrophobicContact CG-CD1 3.96Å; R130-Y238 HydrophobicContact CG-CD2 3.91Å; R130-Y238 HydrophobicContact CG-CE1 3.92Å; R130-Y238 HydrophobicContact CG-CE2 3.9Å; R130-Y238 HydrophobicContact CG-CG 3.92Å; R130-D242 IonicContact CZ-OD2 3.56Å; R130-D242 IonicContact NE-OD2 3.72Å; R130-D242 PolarHBondContact NE-OD2 3.46Å; R130-D242 IonicContact NH2-OD2 3.31Å; R130-D242 PolarHBondContact NH2-OD2 2.99Å
131G93.4Very high96.2Very high9 Ų943.1 Ų43.19%0.09324%0.24CC..  trans-172.2159.1176.200000113.8Y129 Y185Y129-G131 VanDerWaalsContact OH-CA 3.24Å; Y129-G131 WeakPolarHBondContact OH-CA 3.26Å; Y129-G131 PolarHBondContact OH-O 2.84Å; G131-Y185 PolarHBondContact N-O 3.27Å; G131-Y185 CarbonylContact O-C 3.52Å; G131-Y185 WeakPolarHBondContact O-CA 3.28Å
132N93.1Very high96.2Very high46 Ų4650.6 Ų50.625%0.24627%0.268CS..  trans-77.7140.4168.7-175.40.2000109.2L134 D135 T136 Y185N132-L134 PolarHBondContact O-N 3.37Å; N132-L134 PolarHBondContact OD1-N 3.03Å; N132-D135 WeakPolarHBondContact CB-OD2 3.32Å; N132-D135 PolarHBondContact ND2-OD2 3.12Å; N132-D135 PolarHBondContact O-N 3.4Å; N132-T136 WeakPolarHBondContact O-CB 3.4Å; N132-T136 PolarHBondContact O-N 3.15Å; N132-T136 PolarHBondContact O-OG1 2.95Å; N132-Y185 HydrophobicContact CB-CD1 4.39Å; N132-Y185 HydrophobicContact CB-CE1 4.45Å
133I93.1Very high96.1Very high116 Ų11654.8 Ų54.860%0.59529%0.29SS*.THydrogen-bonded Turntrans-66.3-27.9-179.7-156.4164.8000112.6D135I133-D135 VanDerWaalsContact C-N 3.31Å; I133-D135 PolarHBondContact O-N 3.05Å
134L94Very high96Very high146 Ų14654.6 Ų54.676%0.76429%0.289SS*.THydrogen-bonded Turntrans-65.8-35.6178.2-65.2177.9000112.4N132N132-L134 PolarHBondContact O-N 3.37Å; N132-L134 PolarHBondContact OD1-N 3.03Å
135D93.1Very high96Very high109 Ų10955.7 Ų55.758%0.58329%0.294SS*.THydrogen-bonded Turntrans-1081-168-45.5-54.4000112.7N132 I133N132-D135 WeakPolarHBondContact CB-OD2 3.32Å; N132-D135 PolarHBondContact ND2-OD2 3.12Å; N132-D135 PolarHBondContact O-N 3.4Å; I133-D135 VanDerWaalsContact C-N 3.31Å; I133-D135 PolarHBondContact O-N 3.05Å
136T96Very high96.1Very high16 Ų1657.6 Ų57.610%0.09830%0.3CS..  trans-85.2123.4-174.5-65.70000111.7Y129 N132 V140 Q141 G233Y129-T136 HydrophobicContact CE2-CG2 3.69Å; Y129-T136 WeakPolarHBondContact OH-CB 3.33Å; Y129-T136 PolarHBondContact OH-OG1 3.19Å; N132-T136 WeakPolarHBondContact O-CB 3.4Å; N132-T136 PolarHBondContact O-N 3.15Å; N132-T136 PolarHBondContact O-OG1 2.95Å; T136-V140 HydrophobicContact CG2-CB 4.19Å; T136-V140 HydrophobicContact CG2-CG1 4.27Å; T136-Q141 HydrophobicContact CG2-CG 4.22Å; T136-G233 WeakPolarHBondContact CA-O 3.44Å
137H97.6Very high96.1Very high100 Ų10056.6 Ų56.646%0.46329%0.286SS..  trans-63.9142.5176.9-62.7172.4000111.6S139 V140 Q141 G233H137-S139 WeakPolarHBondContact CB-OG 3.4Å; H137-S139 PolarHBondContact O-N 2.89Å; H137-V140 HydrophobicContact CB-CG2 4.28Å; H137-V140 WeakPolarHBondContact O-CB 3.48Å; H137-V140 PolarHBondContact O-N 3.03Å; H137-V140 VanDerWaalsContact O-N 3.13Å; H137-Q141 PolarHBondContact O-N 3.24Å; H137-G233 PolarHBondContact N-O 3.46Å
138M97.6Very high96.2Very high120 Ų12055.1 Ų55.159%0.59128%0.278SS*.Hα-helixtrans-63.3-26175.4-75.2-55.9-55.900113.2Q141 R142M138-Q141 HydrophobicContact CE-CB 4.36Å; M138-Q141 PolarHBondContact O-N 2.85Å; M138-Q141 HydrophobicContact SD-CG 4.25Å; M138-R142 WeakPolarHBondContact O-CG 3.19Å; M138-R142 PolarHBondContact O-N 3.2Å; M138-R142 VanDerWaalsContact O-N 3.13Å
139S97.4Very high96.3Very high58 Ų5857.4 Ų57.441%0.40629%0.286SS..Hα-helixtrans-59.7-47.5171.448.30000111.4H137 Q141 R142 D143H137-S139 WeakPolarHBondContact CB-OG 3.4Å; H137-S139 PolarHBondContact O-N 2.89Å; S139-Q141 VanDerWaalsContact C-N 3.31Å; S139-Q141 PolarHBondContact O-N 3.38Å; S139-R142 CarbonylContact O-C 3.49Å; S139-R142 WeakPolarHBondContact O-CA 3.4Å; S139-R142 WeakPolarHBondContact O-CB 3.4Å; S139-R142 PolarHBondContact O-N 3.41Å; S139-D143 PolarHBondContact O-N 3.34Å
140V97.5Very high96.4Very high3 Ų361.5 Ų61.52%0.01830%0.304CS..Hα-helixtrans-60.3-40.9177.91770000111.8Y129 T136 H137 R142 D143 V144 V231 T232 G233Y129-V140 HydrophobicContact CD2-CG1 3.8Å; Y129-V140 HydrophobicContact CE2-CG1 4.02Å; T136-V140 HydrophobicContact CG2-CB 4.19Å; T136-V140 HydrophobicContact CG2-CG1 4.27Å; H137-V140 HydrophobicContact CB-CG2 4.28Å; H137-V140 WeakPolarHBondContact O-CB 3.48Å; H137-V140 PolarHBondContact O-N 3.03Å; H137-V140 VanDerWaalsContact O-N 3.13Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 3.27Å; V140-D143 PolarHBondContact O-N 2.84Å; V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 VanDerWaalsContact O-CG2 3.27Å; V140-V144 WeakPolarHBondContact O-CG2 3.46Å; V140-V144 PolarHBondContact O-N 3.47Å; V140-V144 VanDerWaalsContact O-N 3.08Å; V140-V231 HydrophobicContact CG1-CG2 3.97Å; V140-T232 WeakPolarHBondContact CG1-O 3.33Å; V140-G233 WeakPolarHBondContact CG2-O 3.49Å
141Q97.2Very high96.5Very high42 Ų4260.9 Ų60.920%0.19630%0.302CS..Hα-helixtrans-58.3-44.7175.2-63.7-84.917.200111T136 H137 M138 S139 M145T136-Q141 HydrophobicContact CG2-CG 4.22Å; H137-Q141 PolarHBondContact O-N 3.24Å; M138-Q141 HydrophobicContact CE-CB 4.36Å; M138-Q141 PolarHBondContact O-N 2.85Å; M138-Q141 HydrophobicContact SD-CG 4.25Å; S139-Q141 VanDerWaalsContact C-N 3.31Å; S139-Q141 PolarHBondContact O-N 3.38Å; Q141-M145 WeakPolarHBondContact O-CG 3.34Å; Q141-M145 PolarHBondContact O-N 3.3Å
142R97.6Very high96.7Very high158 Ų15860.7 Ų60.760%0.59630%0.299SS*.Hα-helixtrans-66.3-47.9177.1-69.2177.7-176.3132.4-0.7111.5M138 S139 V140 V144 M145 E146M138-R142 WeakPolarHBondContact O-CG 3.19Å; M138-R142 PolarHBondContact O-N 3.2Å; M138-R142 VanDerWaalsContact O-N 3.13Å; S139-R142 CarbonylContact O-C 3.49Å; S139-R142 WeakPolarHBondContact O-CA 3.4Å; S139-R142 WeakPolarHBondContact O-CB 3.4Å; S139-R142 PolarHBondContact O-N 3.41Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 3.27Å; R142-V144 VanDerWaalsContact C-N 3.27Å; R142-V144 PolarHBondContact O-N 2.83Å; R142-M145 CarbonylContact O-C 3.43Å; R142-M145 WeakPolarHBondContact O-CA 3.38Å; R142-M145 WeakPolarHBondContact O-CB 3.48Å; R142-M145 PolarHBondContact O-N 3.11Å; R142-E146 WeakPolarHBondContact O-CG 3.37Å; R142-E146 PolarHBondContact O-N 3.37Å
143D96.6Very high96.9Very high88 Ų8859.1 Ų59.147%0.47129%0.291SS..Hα-helixtrans-59-39.2-177.9-64.3-19.7000112.5S139 V140 E146 T147S139-D143 PolarHBondContact O-N 3.34Å; V140-D143 PolarHBondContact O-N 2.84Å; D143-E146 PolarHBondContact O-N 3.44Å; D143-T147 PolarHBondContact O-N 2.99Å; D143-T147 VanDerWaalsContact O-N 3.13Å; D143-T147 PolarHBondContact O-OG1 2.92Å; D143-T147 VanDerWaalsContact O-OG1 3.11Å
144V97.9Very high97.2Very high0 Ų054.6 Ų54.60%027%0.269CS..Hα-helixtrans-65.7-39.5174.4176.10000111.1I127 V140 R142 N148 A188 V231I127-V144 HydrophobicContact CD1-CB 4.44Å; I127-V144 HydrophobicContact CD1-CG2 3.85Å; I127-V144 HydrophobicContact CG1-CG2 4.28Å; V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 VanDerWaalsContact O-CG2 3.27Å; V140-V144 WeakPolarHBondContact O-CG2 3.46Å; V140-V144 PolarHBondContact O-N 3.47Å; V140-V144 VanDerWaalsContact O-N 3.08Å; R142-V144 VanDerWaalsContact C-N 3.27Å; R142-V144 PolarHBondContact O-N 2.83Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 2.8Å; V144-A188 HydrophobicContact CB-CB 4.09Å; V144-A188 HydrophobicContact CG1-CB 4.16Å; V144-A188 WeakPolarHBondContact CG1-O 3.37Å; V144-A188 HydrophobicContact CG2-CB 4.04Å; V144-V231 HydrophobicContact CG2-CG2 3.85Å
145M98.2Very high97.4Very high46 Ų4647.6 Ų47.623%0.22723%0.233CC..Hα-helixtrans-67.2-44.4174.5-71.7-65.2-6600112.3Q141 R142 T147 Y149 F150 S192 A195Q141-M145 WeakPolarHBondContact O-CG 3.34Å; Q141-M145 PolarHBondContact O-N 3.3Å; R142-M145 CarbonylContact O-C 3.43Å; R142-M145 WeakPolarHBondContact O-CA 3.38Å; R142-M145 WeakPolarHBondContact O-CB 3.48Å; R142-M145 PolarHBondContact O-N 3.11Å; M145-T147 VanDerWaalsContact C-N 3.29Å; M145-T147 PolarHBondContact O-N 3.11Å; M145-Y149 HydrophobicContact CE-CD1 3.62Å; M145-Y149 HydrophobicContact CE-CE1 4.35Å; M145-Y149 HydrophobicContact CE-CG 3.79Å; M145-Y149 WeakPolarHBondContact O-CA 3.41Å; M145-Y149 VanDerWaalsContact O-CB 3.28Å; M145-Y149 WeakPolarHBondContact O-CB 3.06Å; M145-Y149 PolarHBondContact O-N 3.21Å; M145-F150 HydrophobicContact CB-CD2 4.41Å; M145-F150 HydrophobicContact CB-CE2 4.29Å; M145-F150 PolarHBondContact O-N 3.41Å; M145-S192 WeakPolarHBondContact SD-CA 3.41Å; M145-S192 VanDerWaalsContact SD-CB 3.6Å; M145-A195 HydrophobicContact CE-CB 4.08Å
146E97.5Very high97.7Very high62 Ų6242.4 Ų42.429%0.2921%0.205SC..Iπ-helixtrans-55-47.2177.4-69.6-50.9139.400111.1A99 R142 D143 F150 G151A99-E146 HydrophobicContact CB-CB 4.26Å; R142-E146 WeakPolarHBondContact O-CG 3.37Å; R142-E146 PolarHBondContact O-N 3.37Å; D143-E146 PolarHBondContact O-N 3.44Å; E146-F150 WeakPolarHBondContact OE1-CD2 3.41Å; E146-G151 PolarHBondContact O-N 3.5Å
147T96.7Very high97.7Very high17 Ų1747 Ų4710%0.10423%0.225CC..Iπ-helixtrans-76.6-46.7-177.6-50.30000113I127 D143 M145 P152I127-T147 HydrophobicContact CG1-CG2 4.3Å; I127-T147 HydrophobicContact CG2-CG2 4.25Å; D143-T147 PolarHBondContact O-N 2.99Å; D143-T147 VanDerWaalsContact O-N 3.13Å; D143-T147 PolarHBondContact O-OG1 2.92Å; D143-T147 VanDerWaalsContact O-OG1 3.11Å; M145-T147 VanDerWaalsContact C-N 3.29Å; M145-T147 PolarHBondContact O-N 3.11Å; T147-P152 WeakPolarHBondContact O-CD 3.15Å
148N98.3Very high97.7Very high2 Ų244.1 Ų44.11%0.01122%0.219CC..Iπ-helixtrans-89.1-22.1-169.1-70.1-9.8000113.9G126 I127 V144 P152 S192 T196G126-N148 WeakPolarHBondContact CA-OD1 3.47Å; I127-N148 PolarHBondContact N-OD1 2.98Å; I127-N148 PolarHBondContact O-ND2 3.31Å; I127-N148 PolarHBondContact O-OD1 3.28Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 2.8Å; N148-P152 VanDerWaalsContact O-CG 3.28Å; N148-P152 WeakPolarHBondContact O-CG 3.29Å; N148-S192 PolarHBondContact ND2-OG 3.33Å; N148-S192 VanDerWaalsContact ND2-OG 3.12Å; N148-T196 PolarHBondContact O-OG1 3.49Å
149Y98.3Very high97.8Very high53 Ų5338.4 Ų38.421%0.20819%0.191CC..Iπ-helixtrans-116.6-66.9-175.1177.9-106.6000111.5M145 G151 P152 I153 A195M145-Y149 HydrophobicContact CE-CD1 3.62Å; M145-Y149 HydrophobicContact CE-CE1 4.35Å; M145-Y149 HydrophobicContact CE-CG 3.79Å; M145-Y149 WeakPolarHBondContact O-CA 3.41Å; M145-Y149 VanDerWaalsContact O-CB 3.28Å; M145-Y149 WeakPolarHBondContact O-CB 3.06Å; M145-Y149 PolarHBondContact O-N 3.21Å; Y149-G151 PolarHBondContact O-N 3.21Å; Y149-P152 VanDerWaalsContact O-CD 3.29Å; Y149-P152 WeakPolarHBondContact O-CD 3.31Å; Y149-P152 WeakPolarHBondContact O-CG 3.39Å; Y149-I153 HydrophobicContact CD1-CD1 4.01Å; Y149-I153 HydrophobicContact CD2-CD1 3.53Å; Y149-I153 HydrophobicContact CE1-CD1 3.69Å; Y149-I153 HydrophobicContact CE2-CD1 3.19Å; Y149-I153 HydrophobicContact CG-CD1 3.93Å; Y149-I153 WeakPolarHBondContact O-CB 3.38Å; Y149-I153 WeakPolarHBondContact O-CD1 3.48Å; Y149-I153 WeakPolarHBondContact O-CG1 3.29Å; Y149-I153 PolarHBondContact O-N 2.96Å; Y149-A195 HydrophobicContact CD2-CB 3.49Å; Y149-A195 VanDerWaalsContact CD2-CB 3.49Å; Y149-A195 HydrophobicContact CE2-CB 3.64Å; Y149-A195 WeakPolarHBondContact CE2-O 3.46Å; Y149-A195 HydrophobicContact CG-CB 4.07Å
150F98.1Very high97.8Very high87 Ų8736.8 Ų36.838%0.38218%0.177SC..Iπ-helixtrans-65.1-40.1-174.1-68.2-65000112.6M145 E146 I153 S154M145-F150 HydrophobicContact CB-CD2 4.41Å; M145-F150 HydrophobicContact CB-CE2 4.29Å; M145-F150 PolarHBondContact O-N 3.41Å; E146-F150 WeakPolarHBondContact OE1-CD2 3.41Å; F150-I153 PolarHBondContact O-N 3.23Å; F150-S154 WeakPolarHBondContact O-CB 3.37Å; F150-S154 PolarHBondContact O-N 3.44Å
151G97.5Very high97.8Very high0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-53.8-63.1176.500000115L98 E146 Y149 I153 S154 L155L98-G151 WeakPolarHBondContact CD1-O 3.28Å; L98-G151 WeakPolarHBondContact O-CA 3.35Å; E146-G151 PolarHBondContact O-N 3.5Å; Y149-G151 PolarHBondContact O-N 3.21Å; G151-I153 PolarHBondContact O-N 3.49Å; G151-S154 PolarHBondContact O-N 2.89Å; G151-L155 PolarHBondContact O-N 2.88Å; G151-L155 VanDerWaalsContact O-N 3.08Å
152P97.8Very high97.8Very high5 Ų539.5 Ų39.53%0.03220%0.199CC..Hα-helixtrans-63-27.5178.523.5-33.2000113.3N123 T147 N148 Y149 T156 F200N123-P152 HydrophobicContact CB-CB 3.83Å; T147-P152 WeakPolarHBondContact O-CD 3.15Å; N148-P152 VanDerWaalsContact O-CG 3.28Å; N148-P152 WeakPolarHBondContact O-CG 3.29Å; Y149-P152 VanDerWaalsContact O-CD 3.29Å; Y149-P152 WeakPolarHBondContact O-CD 3.31Å; Y149-P152 WeakPolarHBondContact O-CG 3.39Å; P152-T156 VanDerWaalsContact O-CB 3.23Å; P152-T156 WeakPolarHBondContact O-CB 3.47Å; P152-T156 PolarHBondContact O-N 3.27Å; P152-T156 PolarHBondContact O-OG1 2.97Å; P152-F200 HydrophobicContact CB-CE2 4.49Å; P152-F200 HydrophobicContact CB-CZ 4.38Å
153I97.8Very high97.8Very high14 Ų1432 Ų327%0.07217%0.171CC..Hα-helixtrans-66.8-52.5173.9-72.6172.8000110.7Y149 F150 G151 L155 T156 Q157 Y199Y149-I153 HydrophobicContact CD1-CD1 4.01Å; Y149-I153 HydrophobicContact CD2-CD1 3.53Å; Y149-I153 HydrophobicContact CE1-CD1 3.69Å; Y149-I153 HydrophobicContact CE2-CD1 3.19Å; Y149-I153 HydrophobicContact CG-CD1 3.93Å; Y149-I153 WeakPolarHBondContact O-CB 3.38Å; Y149-I153 WeakPolarHBondContact O-CD1 3.48Å; Y149-I153 WeakPolarHBondContact O-CG1 3.29Å; Y149-I153 PolarHBondContact O-N 2.96Å; F150-I153 PolarHBondContact O-N 3.23Å; G151-I153 PolarHBondContact O-N 3.49Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.43Å; I153-T156 CarbonylContact O-C 3.49Å; I153-T156 WeakPolarHBondContact O-CB 3.36Å; I153-T156 PolarHBondContact O-N 2.98Å; I153-T156 VanDerWaalsContact O-N 3.11Å; I153-Q157 HydrophobicContact CG2-CG 4.34Å; I153-Q157 WeakPolarHBondContact O-CG 3.45Å; I153-Q157 PolarHBondContact O-N 3.43Å; I153-Y199 HydrophobicContact CB-CE1 4.37Å; I153-Y199 HydrophobicContact CB-CE2 4.46Å; I153-Y199 HydrophobicContact CD1-CD1 3.97Å; I153-Y199 HydrophobicContact CD1-CD2 3.48Å; I153-Y199 VanDerWaalsContact CD1-CD2 3.48Å; I153-Y199 HydrophobicContact CD1-CE1 4.32Å; I153-Y199 HydrophobicContact CD1-CE2 3.84Å; I153-Y199 HydrophobicContact CD1-CG 3.55Å; I153-Y199 HydrophobicContact CG1-CD1 3.62Å; I153-Y199 HydrophobicContact CG1-CD2 3.92Å; I153-Y199 HydrophobicContact CG1-CE1 3.66Å; I153-Y199 HydrophobicContact CG1-CE2 3.93Å; I153-Y199 HydrophobicContact CG1-CG 3.77Å; I153-Y199 HydrophobicContact CG2-CD2 4.49Å; I153-Y199 HydrophobicContact CG2-CE1 4.28Å; I153-Y199 HydrophobicContact CG2-CE2 3.75Å
154S98.1Very high97.9Very high20 Ų2030 Ų3014%0.1416%0.162CC..Hα-helixtrans-57.2-45.8-179.7178.10000111V104 F150 G151 T156 Q157 A158V104-S154 WeakPolarHBondContact CB-OG 3.31Å; V104-S154 WeakPolarHBondContact CG1-OG 3.43Å; F150-S154 WeakPolarHBondContact O-CB 3.37Å; F150-S154 PolarHBondContact O-N 3.44Å; G151-S154 PolarHBondContact O-N 2.89Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 2.94Å; S154-Q157 PolarHBondContact O-N 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.24Å; S154-A158 PolarHBondContact O-N 3.24Å
155L98.5Very high97.9Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-66.3-38.7178.9-177.963.7000111.7T39 F96 L98 V104 A108 I111 L121 G151 I153 A158 L159T39-L155 HydrophobicContact CG2-CD2 3.4Å; F96-L155 HydrophobicContact CZ-CD1 4.41Å; F96-L155 HydrophobicContact CZ-CD2 4.14Å; L98-L155 HydrophobicContact CD1-CB 4.1Å; L98-L155 HydrophobicContact CD1-CD2 4.25Å; V104-L155 HydrophobicContact CG1-CB 3.75Å; V104-L155 HydrophobicContact CG1-CD1 4.01Å; A108-L155 HydrophobicContact CB-CD1 4.44Å; I111-L155 HydrophobicContact CD1-CD1 3.92Å; L121-L155 HydrophobicContact CD1-CD2 3.89Å; L121-L155 HydrophobicContact CD1-CG 4.36Å; L121-L155 HydrophobicContact CD2-CG 4.45Å; G151-L155 PolarHBondContact O-N 2.88Å; G151-L155 VanDerWaalsContact O-N 3.08Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.43Å; L155-A158 PolarHBondContact O-N 3.43Å; L155-L159 HydrophobicContact CD1-CD1 3.81Å; L155-L159 HydrophobicContact CD1-CG 4.21Å; L155-L159 HydrophobicContact CG-CD1 4.02Å; L155-L159 WeakPolarHBondContact O-CG 3.1Å; L155-L159 PolarHBondContact O-N 2.84Å; L155-L159 VanDerWaalsContact O-N 3.09Å
156T98.6Very high97.9Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-62.2-49.4175-620000110.6N123 P152 I153 S154 A158 L159 L160 I171 F200 L203N123-T156 PolarHBondContact ND2-OG1 3.08Å; P152-T156 VanDerWaalsContact O-CB 3.23Å; P152-T156 WeakPolarHBondContact O-CB 3.47Å; P152-T156 PolarHBondContact O-N 3.27Å; P152-T156 PolarHBondContact O-OG1 2.97Å; I153-T156 CarbonylContact O-C 3.49Å; I153-T156 WeakPolarHBondContact O-CB 3.36Å; I153-T156 PolarHBondContact O-N 2.98Å; I153-T156 VanDerWaalsContact O-N 3.11Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 2.94Å; T156-A158 VanDerWaalsContact C-N 3.29Å; T156-A158 PolarHBondContact O-N 3.41Å; T156-L159 PolarHBondContact O-N 3.27Å; T156-L160 WeakPolarHBondContact O-CA 3.29Å; T156-L160 WeakPolarHBondContact O-CB 3.41Å; T156-L160 PolarHBondContact O-N 3.05Å; T156-I171 HydrophobicContact CG2-CD1 3.64Å; T156-I171 HydrophobicContact CG2-CG1 4.44Å; T156-I171 HydrophobicContact CG2-CG2 4.36Å; T156-F200 HydrophobicContact CG2-CE1 4.29Å; T156-L203 HydrophobicContact CG2-CD2 3.7Å
157Q97.7Very high97.8Very high112 Ų11243.9 Ų43.952%0.52322%0.216SC..Hα-helixtrans-61.4-37.3179-73.3-179.5-29.500112.2I153 S154 P161I153-Q157 HydrophobicContact CG2-CG 4.34Å; I153-Q157 WeakPolarHBondContact O-CG 3.45Å; I153-Q157 PolarHBondContact O-N 3.43Å; S154-Q157 PolarHBondContact O-N 3.29Å; Q157-P161 WeakPolarHBondContact O-CD 3.44Å
158A97.9Very high97.8Very high39 Ų3949.9 Ų49.932%0.32224%0.237SC..Hα-helixtrans-69.2-35.3177.800000113.2A108 S154 L155 T156A108-A158 HydrophobicContact CB-CB 3.49Å; A108-A158 VanDerWaalsContact CB-CB 3.49Å; S154-A158 WeakPolarHBondContact O-CB 3.24Å; S154-A158 PolarHBondContact O-N 3.24Å; L155-A158 PolarHBondContact O-N 3.43Å; T156-A158 VanDerWaalsContact C-N 3.29Å; T156-A158 PolarHBondContact O-N 3.41Å
159L98.4Very high97.8Very high1 Ų150.2 Ų50.21%0.00524%0.241CC..Hα-helixtrans-92.8-22.4-178.4-66.6175.3000114A108 I111 L112 V118 L121 L155 T156 S162A108-L159 HydrophobicContact CB-CD2 3.89Å; A108-L159 HydrophobicContact CB-CG 4.21Å; I111-L159 HydrophobicContact CB-CD2 4.48Å; I111-L159 HydrophobicContact CD1-CD1 4.46Å; I111-L159 HydrophobicContact CG2-CD1 4.37Å; I111-L159 HydrophobicContact CG2-CD2 4.08Å; L112-L159 HydrophobicContact CD1-CD2 4.22Å; L112-L159 HydrophobicContact CD2-CD2 4.17Å; L112-L159 HydrophobicContact CG-CD2 3.88Å; V118-L159 HydrophobicContact CG2-CD1 4.38Å; V118-L159 HydrophobicContact CG2-CD2 4.19Å; L121-L159 HydrophobicContact CD1-CD1 4.04Å; L121-L159 HydrophobicContact CD2-CD1 4.14Å; L155-L159 HydrophobicContact CD1-CD1 3.81Å; L155-L159 HydrophobicContact CD1-CG 4.21Å; L155-L159 HydrophobicContact CG-CD1 4.02Å; L155-L159 WeakPolarHBondContact O-CG 3.1Å; L155-L159 PolarHBondContact O-N 2.84Å; L155-L159 VanDerWaalsContact O-N 3.09Å; T156-L159 PolarHBondContact O-N 3.27Å; L159-S162 PolarHBondContact O-N 3.31Å
160L98.3Very high97.8Very high24 Ų2448.1 Ų48.113%0.12623%0.233CC..Hα-helixtrans-59.8-41.4-174.5179.465.5000113.8T156 S162 M163 V164 I171 L203 M207 I212T156-L160 WeakPolarHBondContact O-CA 3.29Å; T156-L160 WeakPolarHBondContact O-CB 3.41Å; T156-L160 PolarHBondContact O-N 3.05Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 2.91Å; L160-M163 WeakPolarHBondContact O-CA 3.49Å; L160-M163 WeakPolarHBondContact O-CB 3.35Å; L160-M163 PolarHBondContact O-N 3.25Å; L160-V164 HydrophobicContact CD1-CG2 3.99Å; L160-V164 HydrophobicContact CG-CG2 4Å; L160-V164 WeakPolarHBondContact O-CG2 3.47Å; L160-V164 PolarHBondContact O-N 3.41Å; L160-I171 HydrophobicContact CD1-CD1 3.92Å; L160-L203 HydrophobicContact CD2-CD1 3.91Å; L160-M207 HydrophobicContact CD1-CG 4.31Å; L160-M207 HydrophobicContact CD1-SD 3.74Å; L160-M207 HydrophobicContact CD2-SD 3.93Å; L160-M207 HydrophobicContact CG-SD 4.25Å; L160-I212 HydrophobicContact CD1-CD1 4.25Å
161P97.8Very high97.9Very high81 Ų8144 Ų4453%0.52622%0.215SC..Hα-helixtrans-54.1-41.4178.4-29.235.9000113.5Q157 M163 V164 Q165Q157-P161 WeakPolarHBondContact O-CD 3.44Å; P161-M163 VanDerWaalsContact C-N 3.33Å; P161-M163 PolarHBondContact O-N 3.17Å; P161-V164 PolarHBondContact O-N 3.49Å; P161-Q165 WeakPolarHBondContact O-CB 3.46Å; P161-Q165 PolarHBondContact O-N 3.09Å
162S96.5Very high97.9Very high21 Ų2144 Ų4415%0.14722%0.215CC..Hα-helixtrans-65.1-34.5176.1176.10000112.6L159 L160 R166L159-S162 PolarHBondContact O-N 3.31Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 2.91Å; S162-R166 WeakPolarHBondContact O-CG 3.38Å; S162-R166 PolarHBondContact O-N 2.87Å; S162-R166 PolarHBondContact O-NE 2.98Å; S162-R166 VanDerWaalsContact O-NE 3.08Å
163M98.4Very high98Very high1 Ų144 Ų441%0.00522%0.215CC..Hα-helixtrans-70.4-41.6174.4-61.8-175.9178.100111.6V118 L121 L160 P161 R166 R167 R168 I171 I212V118-M163 HydrophobicContact CB-CE 3.9Å; V118-M163 HydrophobicContact CG1-CE 3.6Å; L121-M163 HydrophobicContact CB-CE 3.99Å; L160-M163 WeakPolarHBondContact O-CA 3.49Å; L160-M163 WeakPolarHBondContact O-CB 3.35Å; L160-M163 PolarHBondContact O-N 3.25Å; P161-M163 VanDerWaalsContact C-N 3.33Å; P161-M163 PolarHBondContact O-N 3.17Å; M163-R166 PolarHBondContact O-N 2.99Å; M163-R167 PolarHBondContact O-N 3.24Å; M163-R168 WeakPolarHBondContact CA-O 3.4Å; M163-R168 PolarHBondContact O-N 3.28Å; M163-I171 HydrophobicContact SD-CD1 4.37Å; M163-I171 HydrophobicContact SD-CG1 4.02Å; M163-I212 HydrophobicContact CB-CD1 3.9Å
164V98.3Very high98Very high45 Ų4543.8 Ų43.827%0.27321%0.214SC..Hα-helixtrans-63.4-48.5178.5170.30000111.2L160 P161 R166 R167 M207 L210 I212L160-V164 HydrophobicContact CD1-CG2 3.99Å; L160-V164 HydrophobicContact CG-CG2 4Å; L160-V164 WeakPolarHBondContact O-CG2 3.47Å; L160-V164 PolarHBondContact O-N 3.41Å; P161-V164 PolarHBondContact O-N 3.49Å; V164-R166 PolarHBondContact O-N 3.4Å; V164-R167 PolarHBondContact O-N 2.85Å; V164-M207 HydrophobicContact CG2-SD 4.2Å; V164-L210 HydrophobicContact CG1-CD1 3.97Å; V164-L210 HydrophobicContact CG2-CD1 3.87Å; V164-I212 HydrophobicContact CB-CD1 4.38Å; V164-I212 HydrophobicContact CG2-CD1 3.7Å
165Q97.6Very high98Very high170 Ų17043 Ų4379%0.79421%0.208SC*.Hα-helixtrans-57.6-39.4178.6-172.1-178.924.600111.9P161 R167P161-Q165 WeakPolarHBondContact O-CB 3.46Å; P161-Q165 PolarHBondContact O-N 3.09Å; Q165-R167 VanDerWaalsContact C-N 3.34Å
166R97.1Very high97.9Very high77 Ų7743.3 Ų43.329%0.29121%0.21SC..THydrogen-bonded Turntrans-85.1-4.2178.5-65.8-177.8-60.4115.95.6114.1H117 V118 D119 S162 M163 V164 R168H117-R166 PolarHBondContact CD2-NH1 2.98Å; V118-R166 PolarHBondContact O-NH2 2.78Å; D119-R166 IonicContact OD1-NH1 3.5Å; S162-R166 WeakPolarHBondContact O-CG 3.38Å; S162-R166 PolarHBondContact O-N 2.87Å; S162-R166 PolarHBondContact O-NE 2.98Å; S162-R166 VanDerWaalsContact O-NE 3.08Å; M163-R166 PolarHBondContact O-N 2.99Å; V164-R166 PolarHBondContact O-N 3.4Å; R166-R168 HydrophobicContact CB-CB 4.25Å; R166-R168 PolarHBondContact NH2-O 2.79Å; R166-R168 VanDerWaalsContact NH2-O 3.14Å; R166-R168 WeakPolarHBondContact O-CB 3.24Å; R166-R168 PolarHBondContact O-N 3.01Å
167R97Very high97.8Very high153 Ų15343.8 Ų43.858%0.57721%0.213SC*.THydrogen-bonded Turntrans48.332.7-169.7-65.7-76.3-175.2141.6-3.7112.3M163 V164 Q165 H209 L210M163-R167 PolarHBondContact O-N 3.24Å; V164-R167 PolarHBondContact O-N 2.85Å; Q165-R167 VanDerWaalsContact C-N 3.34Å; R167-H209 PolarHBondContact NH1-O 3.04Å; R167-L210 VanDerWaalsContact CZ-CD2 3.43Å
168R96.7Very high97.8Very high142 Ų14239.1 Ų39.154%0.53619%0.191SC..  trans-150.6122.4-171.2-179.5173.6161.9171.6-4.5110.1D119 M163 R166D119-R168 IonicContact OD1-CZ 3.34Å; D119-R168 IonicContact OD1-NE 2.77Å; D119-R168 PolarHBondContact OD1-NE 3.4Å; D119-R168 IonicContact OD1-NH2 3.2Å; D119-R168 PolarHBondContact OD1-NH2 3.02Å; D119-R168 IonicContact OD2-CZ 3.85Å; D119-R168 IonicContact OD2-NE 4Å; D119-R168 IonicContact OD2-NH2 2.94Å; D119-R168 PolarHBondContact OD2-NH2 2.93Å; M163-R168 WeakPolarHBondContact CA-O 3.4Å; M163-R168 PolarHBondContact O-N 3.28Å; R166-R168 HydrophobicContact CB-CB 4.25Å; R166-R168 PolarHBondContact NH2-O 2.79Å; R166-R168 VanDerWaalsContact NH2-O 3.14Å; R166-R168 WeakPolarHBondContact O-CB 3.24Å; R166-R168 PolarHBondContact O-N 3.01Å
169G97.6Very high97.8Very high10 Ų1037.3 Ų37.310%0.10318%0.177CC..  trans172.3171.5176.100000109.5D119 P213D119-G169 CarbonylContact O-C 3.31Å; D119-G169 VanDerWaalsContact O-C 3.31Å; D119-G169 WeakPolarHBondContact O-CA 3.46Å; G169-P213 WeakPolarHBondContact O-CD 3.31Å
170H98.8Very high97.7Very high9 Ų939.3 Ų39.34%0.04219%0.185CC..  trans-152.2121.8173.9-169.6169.1000108.5D119 V120 L121 P213 T215D119-H170 PolarHBondContact O-N 3.04Å; V120-H170 CarbonylContact C-O 3.38Å; V120-H170 VanDerWaalsContact CA-O 3.28Å; V120-H170 WeakPolarHBondContact CA-O 3.37Å; V120-H170 HydrophobicContact CG1-CB 4.41Å; V120-H170 HydrophobicContact CG2-CB 4.29Å; L121-H170 PolarHBondContact N-O 2.86Å; H170-P213 WeakPolarHBondContact CA-O 3.36Å; H170-P213 PolarHBondContact CD2-O 3.27Å; H170-T215 PolarHBondContact CE1-OG1 3.49Å; H170-T215 PolarHBondContact NE2-OG1 3.45Å
171I98.9Very high97.7Very high1 Ų138.6 Ų38.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-99.9127177-62.6163.8000108.9T156 L160 M163 F200 L203 I212 P213 V214 T215T156-I171 HydrophobicContact CG2-CD1 3.64Å; T156-I171 HydrophobicContact CG2-CG1 4.44Å; T156-I171 HydrophobicContact CG2-CG2 4.36Å; L160-I171 HydrophobicContact CD1-CD1 3.92Å; M163-I171 HydrophobicContact SD-CD1 4.37Å; M163-I171 HydrophobicContact SD-CG1 4.02Å; I171-F200 HydrophobicContact CG2-CD1 3.96Å; I171-F200 HydrophobicContact CG2-CE1 3.57Å; I171-L203 HydrophobicContact CD1-CD2 3.73Å; I171-L203 HydrophobicContact CG2-CD2 4.42Å; I171-I212 HydrophobicContact CD1-CG2 4.46Å; I171-P213 PolarHBondContact N-O 3.48Å; I171-V214 HydrophobicContact CB-CG1 4.46Å; I171-V214 HydrophobicContact CB-CG2 4.33Å; I171-V214 HydrophobicContact CG2-CG1 4.42Å; I171-V214 CarbonylContact O-C 3.59Å; I171-V214 VanDerWaalsContact O-CA 3.28Å; I171-V214 WeakPolarHBondContact O-CA 3.16Å; I171-T215 PolarHBondContact O-N 3.45Å
172V98.9Very high97.6Very high0 Ų036.6 Ų36.60%017%0.172CC..EExtended strand (participates in β ladder)trans-122.9129.1178.7-174.40000107.8V120 L121 I122 N123 T215 I217 V258 V262V120-V172 HydrophobicContact CG1-CG2 3.91Å; L121-V172 PolarHBondContact O-N 3.29Å; I122-V172 CarbonylContact C-O 3.55Å; I122-V172 WeakPolarHBondContact CA-O 3.37Å; I122-V172 HydrophobicContact CG1-CB 4.18Å; I122-V172 HydrophobicContact CG1-CG2 4.42Å; N123-V172 PolarHBondContact N-O 3.34Å; V172-T215 CarbonylContact C-O 3.51Å; V172-T215 VanDerWaalsContact CA-O 3.32Å; V172-T215 WeakPolarHBondContact CA-O 3.46Å; V172-T215 HydrophobicContact CG1-CG2 4.38Å; V172-I217 HydrophobicContact CG1-CD1 3.82Å; V172-I217 HydrophobicContact CG1-CG1 4.22Å; V172-V258 HydrophobicContact CG1-CG1 4.31Å; V172-V262 HydrophobicContact CG2-CG2 3.57Å
173V98.6Very high97.5Very high3 Ų336.7 Ų36.72%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-122.8132.1176.163.40000111N123 S175 T196 F200 T215 V216 I217N123-V173 HydrophobicContact CB-CB 4.2Å; N123-V173 HydrophobicContact CB-CG2 4.06Å; V173-S175 PolarHBondContact O-N 3.3Å; V173-T196 HydrophobicContact CG2-CG2 3.54Å; V173-F200 HydrophobicContact CB-CD1 4.38Å; V173-F200 HydrophobicContact CB-CD2 3.96Å; V173-F200 HydrophobicContact CB-CE1 4.4Å; V173-F200 HydrophobicContact CB-CE2 3.99Å; V173-F200 HydrophobicContact CB-CG 4.18Å; V173-F200 HydrophobicContact CB-CZ 4.22Å; V173-F200 HydrophobicContact CG1-CB 3.94Å; V173-F200 HydrophobicContact CG1-CD1 4.15Å; V173-F200 HydrophobicContact CG1-CD2 3.69Å; V173-F200 HydrophobicContact CG1-CE2 4.25Å; V173-F200 HydrophobicContact CG1-CG 3.65Å; V173-F200 HydrophobicContact CG2-CD2 3.88Å; V173-F200 HydrophobicContact CG2-CE2 3.69Å; V173-F200 HydrophobicContact CG2-CZ 4.24Å; V173-T215 PolarHBondContact N-O 3.32Å; V173-V216 HydrophobicContact CG1-CB 4.01Å; V173-V216 HydrophobicContact CG1-CG1 4.02Å; V173-V216 HydrophobicContact CG1-CG2 3.52Å; V173-I217 PolarHBondContact O-N 3.17Å
174I98.4Very high97.4Very high11 Ų1137.8 Ų37.86%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-89.497.5172.7-49.3-54.2000108.3L45 I122 N123 N124 K193 I217 P219 V258L45-I174 HydrophobicContact CD2-CD1 4.41Å; L45-I174 HydrophobicContact CD2-CG1 4.28Å; L45-I174 HydrophobicContact CD2-CG2 3.85Å; I122-I174 HydrophobicContact CG2-CG1 4.48Å; N123-I174 PolarHBondContact O-N 2.87Å; N124-I174 HydrophobicContact CB-CB 4.44Å; N124-I174 HydrophobicContact CB-CG1 3.74Å; I174-K193 PolarHBondContact O-NZ 3.3Å; I174-I217 HydrophobicContact CD1-CB 4.02Å; I174-I217 HydrophobicContact CD1-CD1 3.94Å; I174-I217 HydrophobicContact CD1-CG1 4.31Å; I174-P219 HydrophobicContact CG2-CG 4.11Å; I174-V258 HydrophobicContact CD1-CG2 4.03Å
175S97.4Very high97.2Very high2 Ų237 Ų371%0.01417%0.17CC..  trans-85.5-137.2171.6-170.50000109.8V173 K193 I217V173-S175 PolarHBondContact O-N 3.3Å; S175-K193 PolarHBondContact OG-O 2.97Å; S175-I217 CarbonylContact C-O 3.12Å; S175-I217 WeakPolarHBondContact CA-O 3.36Å; S175-I217 PolarHBondContact N-O 3.05Å
176S97.4Very high97.1Very high7 Ų729.7 Ų29.75%0.04914%0.135CC..  trans-160.7161.5174.3-178.70000108.5Q178 G179S176-Q178 PolarHBondContact O-N 3.1Å; S176-Q178 VanDerWaalsContact O-N 3.1Å; S176-Q178 PolarHBondContact OG-N 2.94Å; S176-Q178 VanDerWaalsContact OG-N 3.1Å; S176-G179 PolarHBondContact O-N 3Å
177V97.2Very high97.1Very high11 Ų1127.5 Ų27.57%0.06713%0.132CC..G310 helixtrans-50.9-29.2159.2-65.70000111.7G179 K180 I181 P219 V270 A272 P276 I280V177-G179 PolarHBondContact O-N 3.1Å; V177-K180 PolarHBondContact O-N 3.06Å; V177-I181 VanDerWaalsContact O-CG1 3.31Å; V177-I181 WeakPolarHBondContact O-CG1 3.48Å; V177-I181 PolarHBondContact O-N 2.86Å; V177-P219 PolarHBondContact N-O 3.23Å; V177-V270 HydrophobicContact CG1-CG1 4.44Å; V177-A272 HydrophobicContact CG1-CB 3.53Å; V177-P276 HydrophobicContact CB-CB 4.47Å; V177-P276 HydrophobicContact CG1-CB 4.13Å; V177-P276 HydrophobicContact CG2-CB 4.47Å; V177-I280 HydrophobicContact CB-CD1 4.47Å; V177-I280 HydrophobicContact CG1-CD1 4.27Å
178Q97.3Very high97.1Very high13 Ų1320.3 Ų20.36%0.06111%0.105CC..G310 helixtrans-71.9-4.9175.3-68.7-175.780.700114.9S176 K180 I181 I183 Y189 A190 H194S176-Q178 PolarHBondContact O-N 3.1Å; S176-Q178 VanDerWaalsContact O-N 3.1Å; S176-Q178 PolarHBondContact OG-N 2.94Å; S176-Q178 VanDerWaalsContact OG-N 3.1Å; Q178-K180 VanDerWaalsContact C-N 3.32Å; Q178-I181 CarbonylContact C-O 3.56Å; Q178-I181 VanDerWaalsContact C-O 3.31Å; Q178-I181 WeakPolarHBondContact CA-O 3.24Å; Q178-I181 VanDerWaalsContact O-O 3.07Å; Q178-I183 HydrophobicContact CG-CD1 4.4Å; Q178-I183 HydrophobicContact CG-CG1 4.34Å; Q178-Y189 HydrophobicContact CB-CD1 4.09Å; Q178-Y189 HydrophobicContact CB-CE1 4.03Å; Q178-A190 HydrophobicContact CB-CB 4.38Å; Q178-A190 WeakPolarHBondContact O-CA 3.26Å; Q178-H194 PolarHBondContact O-CE1 3.04Å; Q178-H194 PolarHBondContact O-ND1 2.88Å
179G96.9Very high97.2Very high2 Ų214 Ų142%0.0218%0.082CC..G310 helixtrans-86.1-3.9165.900000113.7S176 V177 K193 H194S176-G179 PolarHBondContact O-N 3Å; V177-G179 PolarHBondContact O-N 3.1Å; G179-K193 VanDerWaalsContact CA-C 3.44Å; G179-K193 WeakPolarHBondContact CA-O 3.09Å; G179-H194 PolarHBondContact O-CD2 2.83Å; G179-H194 VanDerWaalsContact O-CD2 3.31Å
180K97.3Very high97.2Very high42 Ų4213.7 Ų13.718%0.1838%0.078CC..THydrogen-bonded Turntrans-119.8-26.7177.6-63.1-175.5179.8-68.80112.7V177 Q178 S218 D268 V270 I280 R283V177-K180 PolarHBondContact O-N 3.06Å; Q178-K180 VanDerWaalsContact C-N 3.32Å; K180-S218 WeakPolarHBondContact CE-OG 3.13Å; K180-D268 WeakPolarHBondContact CE-OD1 3.35Å; K180-D268 WeakPolarHBondContact CE-OD2 3.22Å; K180-D268 IonicContact NZ-OD1 2.82Å; K180-D268 PolarHBondContact NZ-OD1 3Å; K180-D268 IonicContact NZ-OD2 3.88Å; K180-D268 PolarHBondContact NZ-OD2 3Å; K180-V270 HydrophobicContact CD-CG2 4.29Å; K180-I280 HydrophobicContact CB-CD1 4.36Å; K180-I280 HydrophobicContact CB-CG1 4.09Å; K180-I280 HydrophobicContact CB-CG2 4.31Å; K180-I280 HydrophobicContact CD-CD1 4.18Å; K180-I280 HydrophobicContact CD-CG2 4.37Å; K180-R283 VanDerWaalsContact O-CD 3.24Å; K180-R283 WeakPolarHBondContact O-CD 3.5Å; K180-R283 PolarHBondContact O-NE 3.27Å
181I97.3Very high97.2Very high10 Ų1015.7 Ų15.75%0.05110%0.096CC..SBendtrans-132.9151.3174.158.3171.4000110.4V177 Q178 H194 A279 I280 R283 F290V177-I181 VanDerWaalsContact O-CG1 3.31Å; V177-I181 WeakPolarHBondContact O-CG1 3.48Å; V177-I181 PolarHBondContact O-N 2.86Å; Q178-I181 CarbonylContact C-O 3.56Å; Q178-I181 VanDerWaalsContact C-O 3.31Å; Q178-I181 WeakPolarHBondContact CA-O 3.24Å; Q178-I181 VanDerWaalsContact O-O 3.07Å; I181-H194 PolarHBondContact O-CE1 2.86Å; I181-A279 HydrophobicContact CD1-CB 3.82Å; I181-I280 HydrophobicContact CG2-CB 4.25Å; I181-I280 HydrophobicContact CG2-CG1 3.84Å; I181-R283 HydrophobicContact CG2-CB 3.98Å; I181-R283 HydrophobicContact CG2-CG 4.5Å; I181-F290 HydrophobicContact CB-CE2 4.31Å; I181-F290 HydrophobicContact CB-CZ 4.04Å; I181-F290 HydrophobicContact CG2-CE2 4.22Å; I181-F290 HydrophobicContact CG2-CZ 4.32Å
182A95.8Very high97.2Very high39 Ų3915.7 Ų15.732%0.32210%0.096SC..  trans-104.5140.8171.300000109.9A190A182-A190 HydrophobicContact CB-CB 4.28Å
183I95Very high97.1Very high22 Ų2216.1 Ų16.111%0.11310%0.098CC..  trans-122.7155.2174.164.7174000110Q178 R186 M294Q178-I183 HydrophobicContact CG-CD1 4.4Å; Q178-I183 HydrophobicContact CG-CG1 4.34Å; I183-R186 HydrophobicContact CD1-CG 4Å; I183-R186 HydrophobicContact CG1-CB 4.05Å; I183-R186 HydrophobicContact CG1-CG 3.8Å; I183-M294 HydrophobicContact CB-SD 4.44Å; I183-M294 HydrophobicContact CG2-SD 4.04Å
184P95.6Very high97.1Very high25 Ų2518.7 Ų18.716%0.16211%0.109CC..THydrogen-bonded Turntrans-55.4153.3177.5-26.135.3000113.2R186 M294 R297 A298P184-R186 PolarHBondContact O-N 3.32Å; P184-M294 WeakPolarHBondContact CG-O 3.35Å; P184-R297 HydrophobicContact CG-CG 4.49Å; P184-A298 HydrophobicContact CB-CB 3.89Å; P184-A298 HydrophobicContact CG-CB 3.78Å
185Y95Very high97.1Very high29 Ų2919.4 Ų19.411%0.11412%0.117CC..THydrogen-bonded Turntrans59.623.6176.7-48.3-79.2000116.2G131 N132 A298 E301 Q302G131-Y185 PolarHBondContact N-O 3.27Å; G131-Y185 CarbonylContact O-C 3.52Å; G131-Y185 WeakPolarHBondContact O-CA 3.28Å; N132-Y185 HydrophobicContact CB-CD1 4.39Å; N132-Y185 HydrophobicContact CB-CE1 4.45Å; Y185-A298 HydrophobicContact CE2-CB 4.48Å; Y185-A298 PolarHBondContact OH-O 3.21Å; Y185-E301 HydrophobicContact CD2-CB 4.34Å; Y185-E301 VanDerWaalsContact CD2-CD 3.45Å; Y185-E301 HydrophobicContact CD2-CG 3.97Å; Y185-E301 HydrophobicContact CE2-CB 3.81Å; Y185-E301 HydrophobicContact CE2-CG 3.85Å; Y185-Q302 WeakPolarHBondContact OH-CB 3.49Å; Y185-Q302 PolarHBondContact OH-OE1 3.3Å
186R95.9Very high97.2Very high15 Ų1519.4 Ų19.46%0.05712%0.117CC..  trans-137.621.2-177.8-61.2-65.8-175.6-90.56.1113Y129 I183 P184 A188 Y189 A190 D242Y129-R186 WeakPolarHBondContact O-CD 3.36Å; I183-R186 HydrophobicContact CD1-CG 4Å; I183-R186 HydrophobicContact CG1-CB 4.05Å; I183-R186 HydrophobicContact CG1-CG 3.8Å; P184-R186 PolarHBondContact O-N 3.32Å; R186-A188 PolarHBondContact O-N 3.23Å; R186-Y189 PolarHBondContact O-N 3.38Å; R186-Y189 VanDerWaalsContact O-N 3.17Å; R186-A190 WeakPolarHBondContact O-CB 3.22Å; R186-A190 PolarHBondContact O-N 2.89Å; R186-D242 IonicContact NH2-OD1 3.45Å; R186-D242 IonicContact NH2-OD2 2.89Å; R186-D242 PolarHBondContact NH2-OD2 2.84Å; R186-D242 VanDerWaalsContact NH2-OD2 3.11Å
187S96.3Very high97.2Very high32 Ų3219.6 Ų19.622%0.22412%0.117CC..Hα-helixtrans-48.5-57.3-171.850.10000114Y129 Y189 A190 A191Y129-S187 PolarHBondContact OH-OG 3.37Å; S187-Y189 VanDerWaalsContact C-N 3.32Å; S187-Y189 PolarHBondContact O-N 2.91Å; S187-A190 PolarHBondContact O-N 3.19Å; S187-A191 VanDerWaalsContact O-CB 3.26Å; S187-A191 WeakPolarHBondContact O-CB 3.33Å; S187-A191 PolarHBondContact O-N 3.33Å
188A97.6Very high97.3Very high1 Ų121.7 Ų21.71%0.00814%0.136CC..Hα-helixtrans-59.7-42.1-178.800000112.5Y129 V144 R186 S192Y129-A188 HydrophobicContact CD1-CB 3.85Å; Y129-A188 HydrophobicContact CD2-CB 4.16Å; Y129-A188 HydrophobicContact CE1-CB 4.18Å; Y129-A188 HydrophobicContact CE2-CB 4.45Å; Y129-A188 HydrophobicContact CG-CB 3.84Å; V144-A188 HydrophobicContact CB-CB 4.09Å; V144-A188 HydrophobicContact CG1-CB 4.16Å; V144-A188 WeakPolarHBondContact CG1-O 3.37Å; V144-A188 HydrophobicContact CG2-CB 4.04Å; R186-A188 PolarHBondContact O-N 3.23Å; A188-S192 PolarHBondContact O-N 3.37Å; A188-S192 PolarHBondContact O-OG 3.13Å
189Y98.1Very high97.3Very high11 Ų1123.4 Ų23.44%0.04314%0.142CC..Hα-helixtrans-68.7-48.2179-175.9-102.4000112.4I127 Q178 R186 S187 A191 S192 K193I127-Y189 VanDerWaalsContact O-CD2 3.23Å; I127-Y189 WeakPolarHBondContact O-CD2 3.34Å; I127-Y189 VanDerWaalsContact O-CE2 3.26Å; I127-Y189 WeakPolarHBondContact O-CE2 3.39Å; Q178-Y189 HydrophobicContact CB-CD1 4.09Å; Q178-Y189 HydrophobicContact CB-CE1 4.03Å; R186-Y189 PolarHBondContact O-N 3.38Å; R186-Y189 VanDerWaalsContact O-N 3.17Å; S187-Y189 VanDerWaalsContact C-N 3.32Å; S187-Y189 PolarHBondContact O-N 2.91Å; Y189-A191 VanDerWaalsContact C-N 3.34Å; Y189-A191 PolarHBondContact O-N 2.83Å; Y189-S192 PolarHBondContact O-N 3.23Å; Y189-S192 PolarHBondContact O-OG 2.98Å; Y189-K193 HydrophobicContact CD1-CG 4.35Å; Y189-K193 HydrophobicContact CD2-CG 4.45Å; Y189-K193 HydrophobicContact CE1-CG 3.95Å; Y189-K193 HydrophobicContact CE2-CG 4.1Å; Y189-K193 WeakPolarHBondContact O-CG 3.47Å; Y189-K193 PolarHBondContact O-N 3.46Å
190A97.9Very high97.4Very high3 Ų323.3 Ų23.33%0.02514%0.141CC..Hα-helixtrans-63.5-42179.800000111.2Q178 A182 R186 S187 K193 H194Q178-A190 HydrophobicContact CB-CB 4.38Å; Q178-A190 WeakPolarHBondContact O-CA 3.26Å; A182-A190 HydrophobicContact CB-CB 4.28Å; R186-A190 WeakPolarHBondContact O-CB 3.22Å; R186-A190 PolarHBondContact O-N 2.89Å; S187-A190 PolarHBondContact O-N 3.19Å; A190-K193 PolarHBondContact O-N 2.85Å; A190-H194 PolarHBondContact O-N 3.36Å; A190-H194 PolarHBondContact O-ND1 3.34Å
191A98.3Very high97.5Very high51 Ų5123.9 Ų23.942%0.42115%0.146SC..Hα-helixtrans-58.6-52.4175.300000111.4S187 Y189 K193 H194 A195S187-A191 VanDerWaalsContact O-CB 3.26Å; S187-A191 WeakPolarHBondContact O-CB 3.33Å; S187-A191 PolarHBondContact O-N 3.33Å; Y189-A191 VanDerWaalsContact C-N 3.34Å; Y189-A191 PolarHBondContact O-N 2.83Å; A191-K193 VanDerWaalsContact C-N 3.33Å; A191-K193 PolarHBondContact O-N 3.49Å; A191-H194 PolarHBondContact O-N 3.04Å; A191-A195 PolarHBondContact O-N 3.41Å
192S98.6Very high97.5Very high0 Ų026.8 Ų26.80%017%0.166CC..Hα-helixtrans-58.9-42.5178.364.10000112.7M145 N148 A188 Y189 H194 A195 T196M145-S192 WeakPolarHBondContact SD-CA 3.41Å; M145-S192 VanDerWaalsContact SD-CB 3.6Å; N148-S192 PolarHBondContact ND2-OG 3.33Å; N148-S192 VanDerWaalsContact ND2-OG 3.12Å; A188-S192 PolarHBondContact O-N 3.37Å; A188-S192 PolarHBondContact O-OG 3.13Å; Y189-S192 PolarHBondContact O-N 3.23Å; Y189-S192 PolarHBondContact O-OG 2.98Å; S192-H194 PolarHBondContact O-N 3.39Å; S192-A195 PolarHBondContact O-N 3.32Å; S192-T196 PolarHBondContact O-N 2.99Å; S192-T196 PolarHBondContact O-OG1 3.15Å
193K98.3Very high97.7Very high10 Ų1025.2 Ų25.24%0.04315%0.153CC..Hα-helixtrans-70.8-29.5179.3-65.8-56.3-173.2179.30113.8I174 S175 G179 Y189 A190 A191 Q197I174-K193 PolarHBondContact O-NZ 3.3Å; S175-K193 PolarHBondContact OG-O 2.97Å; G179-K193 VanDerWaalsContact CA-C 3.44Å; G179-K193 WeakPolarHBondContact CA-O 3.09Å; Y189-K193 HydrophobicContact CD1-CG 4.35Å; Y189-K193 HydrophobicContact CD2-CG 4.45Å; Y189-K193 HydrophobicContact CE1-CG 3.95Å; Y189-K193 HydrophobicContact CE2-CG 4.1Å; Y189-K193 WeakPolarHBondContact O-CG 3.47Å; Y189-K193 PolarHBondContact O-N 3.46Å; A190-K193 PolarHBondContact O-N 2.85Å; A191-K193 VanDerWaalsContact C-N 3.33Å; A191-K193 PolarHBondContact O-N 3.49Å; K193-Q197 WeakPolarHBondContact O-CB 3.42Å; K193-Q197 PolarHBondContact O-N 3.47Å
194H98.6Very high97.8Very high56 Ų5626.3 Ų26.326%0.25916%0.155SC..Hα-helixtrans-68.9-42.8169.9-79.576.7000111.2Q178 G179 I181 A190 A191 S192 T196 Q197 A198Q178-H194 PolarHBondContact O-CE1 3.04Å; Q178-H194 PolarHBondContact O-ND1 2.88Å; G179-H194 PolarHBondContact O-CD2 2.83Å; G179-H194 VanDerWaalsContact O-CD2 3.31Å; I181-H194 PolarHBondContact O-CE1 2.86Å; A190-H194 PolarHBondContact O-N 3.36Å; A190-H194 PolarHBondContact O-ND1 3.34Å; A191-H194 PolarHBondContact O-N 3.04Å; S192-H194 PolarHBondContact O-N 3.39Å; H194-T196 PolarHBondContact O-N 3.12Å; H194-Q197 WeakPolarHBondContact O-CB 3.44Å; H194-Q197 PolarHBondContact O-N 3.46Å; H194-A198 PolarHBondContact O-N 3.46Å
195A98.6Very high97.9Very high27 Ų2729 Ų2922%0.22318%0.179CC..Hα-helixtrans-60.5-46.1175.600000111M145 Y149 A191 S192 Q197 A198 Y199M145-A195 HydrophobicContact CE-CB 4.08Å; Y149-A195 HydrophobicContact CD2-CB 3.49Å; Y149-A195 VanDerWaalsContact CD2-CB 3.49Å; Y149-A195 HydrophobicContact CE2-CB 3.64Å; Y149-A195 WeakPolarHBondContact CE2-O 3.46Å; Y149-A195 HydrophobicContact CG-CB 4.07Å; A191-A195 PolarHBondContact O-N 3.41Å; S192-A195 PolarHBondContact O-N 3.32Å; A195-Q197 PolarHBondContact O-N 3.16Å; A195-A198 PolarHBondContact O-N 2.97Å; A195-Y199 PolarHBondContact O-N 3.4Å
196T98.3Very high98.1Very high1 Ų133 Ų331%0.00620%0.199CC..Hα-helixtrans-56.6-48.1173.5-53.20000111.1N148 V173 S192 H194 A198 Y199 F200N148-T196 PolarHBondContact O-OG1 3.49Å; V173-T196 HydrophobicContact CG2-CG2 3.54Å; S192-T196 PolarHBondContact O-N 2.99Å; S192-T196 PolarHBondContact O-OG1 3.15Å; H194-T196 PolarHBondContact O-N 3.12Å; T196-A198 PolarHBondContact O-N 3.35Å; T196-Y199 PolarHBondContact O-N 3.48Å; T196-F200 HydrophobicContact CG2-CD2 3.67Å; T196-F200 HydrophobicContact CG2-CE2 3.81Å; T196-F200 VanDerWaalsContact O-CD2 3.27Å; T196-F200 WeakPolarHBondContact O-CD2 3.5Å; T196-F200 PolarHBondContact O-N 2.89Å; T196-F200 VanDerWaalsContact O-N 3.08Å
197Q97.8Very high98.2Very high12 Ų1233.1 Ų33.16%0.05620%0.201CC..Hα-helixtrans-55.6-52.3179-178.872.449.900111.1K193 H194 A195 Y199 F200 D201K193-Q197 WeakPolarHBondContact O-CB 3.42Å; K193-Q197 PolarHBondContact O-N 3.47Å; H194-Q197 WeakPolarHBondContact O-CB 3.44Å; H194-Q197 PolarHBondContact O-N 3.46Å; A195-Q197 PolarHBondContact O-N 3.16Å; Q197-Y199 PolarHBondContact O-N 2.91Å; Q197-F200 PolarHBondContact O-N 2.96Å; Q197-D201 PolarHBondContact NE2-OD1 3.45Å; Q197-D201 PolarHBondContact NE2-OD2 3.25Å; Q197-D201 WeakPolarHBondContact O-CB 3.47Å; Q197-D201 PolarHBondContact O-N 3.23Å
198A98.4Very high98.2Very high55 Ų5534 Ų3446%0.45522%0.215SC..Hα-helixtrans-60.7-46.6-178.700000112.2H194 A195 T196 F200 D201 C202H194-A198 PolarHBondContact O-N 3.46Å; A195-A198 PolarHBondContact O-N 2.97Å; T196-A198 PolarHBondContact O-N 3.35Å; A198-F200 PolarHBondContact O-N 3.38Å; A198-D201 PolarHBondContact O-N 3Å; A198-C202 PolarHBondContact O-N 3.07Å; A198-C202 PolarHBondContact O-SG 3.32Å
199Y98.8Very high98.1Very high48 Ų4840.6 Ų40.619%0.18825%0.245CC..Hα-helixtrans-58.6-49.6179.1178.9-85.4000112.2I153 A195 T196 Q197 D201 C202 L203I153-Y199 HydrophobicContact CB-CE1 4.37Å; I153-Y199 HydrophobicContact CB-CE2 4.46Å; I153-Y199 HydrophobicContact CD1-CD1 3.97Å; I153-Y199 HydrophobicContact CD1-CD2 3.48Å; I153-Y199 VanDerWaalsContact CD1-CD2 3.48Å; I153-Y199 HydrophobicContact CD1-CE1 4.32Å; I153-Y199 HydrophobicContact CD1-CE2 3.84Å; I153-Y199 HydrophobicContact CD1-CG 3.55Å; I153-Y199 HydrophobicContact CG1-CD1 3.62Å; I153-Y199 HydrophobicContact CG1-CD2 3.92Å; I153-Y199 HydrophobicContact CG1-CE1 3.66Å; I153-Y199 HydrophobicContact CG1-CE2 3.93Å; I153-Y199 HydrophobicContact CG1-CG 3.77Å; I153-Y199 HydrophobicContact CG2-CD2 4.49Å; I153-Y199 HydrophobicContact CG2-CE1 4.28Å; I153-Y199 HydrophobicContact CG2-CE2 3.75Å; A195-Y199 PolarHBondContact O-N 3.4Å; T196-Y199 PolarHBondContact O-N 3.48Å; Q197-Y199 PolarHBondContact O-N 2.91Å; Y199-D201 PolarHBondContact O-N 3.12Å; Y199-C202 PolarHBondContact O-N 3.23Å; Y199-L203 HydrophobicContact CE1-CD2 4.37Å; Y199-L203 PolarHBondContact O-N 2.82Å
200F98.6Very high98.1Very high0 Ų041.1 Ų41.10%025%0.248CC..Hα-helixtrans-73.4-18.7-178.8-75.8-78.4000112.6P152 T156 I171 V173 T196 Q197 A198 L203 R204 V214 V216P152-F200 HydrophobicContact CB-CE2 4.49Å; P152-F200 HydrophobicContact CB-CZ 4.38Å; T156-F200 HydrophobicContact CG2-CE1 4.29Å; I171-F200 HydrophobicContact CG2-CD1 3.96Å; I171-F200 HydrophobicContact CG2-CE1 3.57Å; V173-F200 HydrophobicContact CB-CD1 4.38Å; V173-F200 HydrophobicContact CB-CD2 3.96Å; V173-F200 HydrophobicContact CB-CE1 4.4Å; V173-F200 HydrophobicContact CB-CE2 3.99Å; V173-F200 HydrophobicContact CB-CG 4.18Å; V173-F200 HydrophobicContact CB-CZ 4.22Å; V173-F200 HydrophobicContact CG1-CB 3.94Å; V173-F200 HydrophobicContact CG1-CD1 4.15Å; V173-F200 HydrophobicContact CG1-CD2 3.69Å; V173-F200 HydrophobicContact CG1-CE2 4.25Å; V173-F200 HydrophobicContact CG1-CG 3.65Å; V173-F200 HydrophobicContact CG2-CD2 3.88Å; V173-F200 HydrophobicContact CG2-CE2 3.69Å; V173-F200 HydrophobicContact CG2-CZ 4.24Å; T196-F200 HydrophobicContact CG2-CD2 3.67Å; T196-F200 HydrophobicContact CG2-CE2 3.81Å; T196-F200 VanDerWaalsContact O-CD2 3.27Å; T196-F200 WeakPolarHBondContact O-CD2 3.5Å; T196-F200 PolarHBondContact O-N 2.89Å; T196-F200 VanDerWaalsContact O-N 3.08Å; Q197-F200 PolarHBondContact O-N 2.96Å; A198-F200 PolarHBondContact O-N 3.38Å; F200-L203 HydrophobicContact CD1-CD2 3.79Å; F200-L203 HydrophobicContact CE1-CD2 3.97Å; F200-R204 WeakPolarHBondContact O-CB 3.13Å; F200-R204 PolarHBondContact O-N 3.47Å; F200-V214 HydrophobicContact CB-CG1 4.13Å; F200-V214 HydrophobicContact CD1-CG1 3.95Å; F200-V216 HydrophobicContact CB-CG2 3.75Å
201D98.2Very high98Very high54 Ų5443.2 Ų43.229%0.28927%0.27SS..Hα-helixtrans-71.7-41.8169.4-69.4-20.4000111.8Q197 A198 Y199 R204 A205Q197-D201 PolarHBondContact NE2-OD1 3.45Å; Q197-D201 PolarHBondContact NE2-OD2 3.25Å; Q197-D201 WeakPolarHBondContact O-CB 3.47Å; Q197-D201 PolarHBondContact O-N 3.23Å; A198-D201 PolarHBondContact O-N 3Å; Y199-D201 PolarHBondContact O-N 3.12Å; D201-R204 WeakPolarHBondContact O-CB 3.41Å; D201-R204 PolarHBondContact O-N 3.01Å; D201-R204 IonicContact OD1-CZ 3.72Å; D201-R204 IonicContact OD1-NH1 2.66Å; D201-R204 PolarHBondContact OD1-NH1 3.48Å; D201-R204 IonicContact OD1-NH2 3Å; D201-R204 PolarHBondContact OD1-NH2 2.9Å; D201-A205 PolarHBondContact O-N 3.5Å
202C98.6Very high98Very high71 Ų7140.9 Ų40.948%0.4825%0.251SS..Hα-helixtrans-61.6-51.1170.3-64.30000111.4A198 Y199 R204 A205 E206A198-C202 PolarHBondContact O-N 3.07Å; A198-C202 PolarHBondContact O-SG 3.32Å; Y199-C202 PolarHBondContact O-N 3.23Å; C202-R204 PolarHBondContact O-N 2.94Å; C202-R204 VanDerWaalsContact O-N 3.15Å; C202-A205 WeakPolarHBondContact O-CB 3.26Å; C202-A205 PolarHBondContact O-N 2.84Å; C202-E206 WeakPolarHBondContact O-CG 3.02Å; C202-E206 PolarHBondContact O-N 3.07Å
203L98.6Very high98Very high7 Ų742.2 Ų42.24%0.03726%0.259CS..Hα-helixtrans-55.7-38.1179.1-174.268.8000111.8T156 L160 I171 Y199 F200 E206 M207 V214T156-L203 HydrophobicContact CG2-CD2 3.7Å; L160-L203 HydrophobicContact CD2-CD1 3.91Å; I171-L203 HydrophobicContact CD1-CD2 3.73Å; I171-L203 HydrophobicContact CG2-CD2 4.42Å; Y199-L203 HydrophobicContact CE1-CD2 4.37Å; Y199-L203 PolarHBondContact O-N 2.82Å; F200-L203 HydrophobicContact CD1-CD2 3.79Å; F200-L203 HydrophobicContact CE1-CD2 3.97Å; L203-E206 PolarHBondContact O-N 3.24Å; L203-M207 HydrophobicContact CD1-CG 3.69Å; L203-M207 HydrophobicContact CD1-SD 4.43Å; L203-M207 HydrophobicContact CG-CG 3.98Å; L203-M207 WeakPolarHBondContact O-CB 3.37Å; L203-M207 WeakPolarHBondContact O-CG 3.35Å; L203-M207 PolarHBondContact O-N 2.98Å; L203-V214 HydrophobicContact CD2-CG2 4.19Å; L203-V214 HydrophobicContact CG-CG2 4.09Å
204R98.2Very high98Very high45 Ų4541.8 Ų41.817%0.1726%0.258CS..Hα-helixtrans-61.9-43.7176.3-169.1-177-51.9101.72.2112.4F200 D201 C202 G208 V214 K267F200-R204 WeakPolarHBondContact O-CB 3.13Å; F200-R204 PolarHBondContact O-N 3.47Å; D201-R204 WeakPolarHBondContact O-CB 3.41Å; D201-R204 PolarHBondContact O-N 3.01Å; D201-R204 IonicContact OD1-CZ 3.72Å; D201-R204 IonicContact OD1-NH1 2.66Å; D201-R204 PolarHBondContact OD1-NH1 3.48Å; D201-R204 IonicContact OD1-NH2 3Å; D201-R204 PolarHBondContact OD1-NH2 2.9Å; C202-R204 PolarHBondContact O-N 2.94Å; C202-R204 VanDerWaalsContact O-N 3.15Å; R204-G208 PolarHBondContact O-N 3.46Å; R204-V214 HydrophobicContact CB-CB 3.79Å; R204-V214 HydrophobicContact CB-CG1 4.4Å; R204-V214 HydrophobicContact CB-CG2 4.23Å; R204-V214 HydrophobicContact CG-CB 3.99Å; R204-V214 PolarHBondContact NE-O 2.87Å; R204-K267 PolarHBondContact NH2-O 2.93Å
205A98.1Very high98Very high81 Ų8139.1 Ų39.167%0.66925%0.245SC*.Hα-helixtrans-66.3-46.9179.600000110.4D201 C202 G208D201-A205 PolarHBondContact O-N 3.5Å; C202-A205 WeakPolarHBondContact O-CB 3.26Å; C202-A205 PolarHBondContact O-N 2.84Å; A205-G208 PolarHBondContact O-N 3.26Å
206E98.3Very high98Very high112 Ų11237.9 Ų37.952%0.52324%0.235SC..Hα-helixtrans-64.7-43.6-179.2-68.3171.2-152.400112.1C202 L203 G208 H209C202-E206 WeakPolarHBondContact O-CG 3.02Å; C202-E206 PolarHBondContact O-N 3.07Å; L203-E206 PolarHBondContact O-N 3.24Å; E206-G208 VanDerWaalsContact C-N 3.3Å; E206-G208 PolarHBondContact O-N 3.41Å; E206-H209 PolarHBondContact O-CE1 2.91Å; E206-H209 PolarHBondContact O-ND1 3.33Å
207M98.1Very high98Very high19 Ų1937.9 Ų37.99%0.09424%0.235CC..Hα-helixtrans-80.3-8.5-176.6-65-57.199.200114.4L160 V164 L203 H209 L210 G211 I212L160-M207 HydrophobicContact CD1-CG 4.31Å; L160-M207 HydrophobicContact CD1-SD 3.74Å; L160-M207 HydrophobicContact CD2-SD 3.93Å; L160-M207 HydrophobicContact CG-SD 4.25Å; V164-M207 HydrophobicContact CG2-SD 4.2Å; L203-M207 HydrophobicContact CD1-CG 3.69Å; L203-M207 HydrophobicContact CD1-SD 4.43Å; L203-M207 HydrophobicContact CG-CG 3.98Å; L203-M207 WeakPolarHBondContact O-CB 3.37Å; L203-M207 WeakPolarHBondContact O-CG 3.35Å; L203-M207 PolarHBondContact O-N 2.98Å; M207-H209 VanDerWaalsContact C-N 3.34Å; M207-H209 PolarHBondContact O-N 3.46Å; M207-L210 HydrophobicContact CE-CD1 4.03Å; M207-L210 PolarHBondContact O-N 2.85Å; M207-L210 HydrophobicContact SD-CD1 3.85Å; M207-G211 PolarHBondContact O-N 3.37Å; M207-I212 HydrophobicContact CB-CB 4.15Å; M207-I212 PolarHBondContact O-N 2.92Å
208G96Very high98Very high50 Ų5037.3 Ų37.352%0.51523%0.232SC..G310 helixtrans-56.8-43.3-176.200000113.5R204 A205 E206 L210 G211R204-G208 PolarHBondContact O-N 3.46Å; A205-G208 PolarHBondContact O-N 3.26Å; E206-G208 VanDerWaalsContact C-N 3.3Å; E206-G208 PolarHBondContact O-N 3.41Å; G208-L210 PolarHBondContact O-N 3.42Å; G208-G211 PolarHBondContact O-N 2.87Å
209H96.3Very high98Very high140 Ų14035 Ų3565%0.64821%0.212SC*.G310 helixtrans-70.8-15.517976.3-79.5000113.7R167 E206 M207R167-H209 PolarHBondContact NH1-O 3.04Å; E206-H209 PolarHBondContact O-CE1 2.91Å; E206-H209 PolarHBondContact O-ND1 3.33Å; M207-H209 VanDerWaalsContact C-N 3.34Å; M207-H209 PolarHBondContact O-N 3.46Å
210L97.5Very high97.8Very high21 Ų2133.1 Ų33.111%0.1121%0.208CC..G310 helixtrans-93.5-3.4177.1-59.1174.5000112.5V164 R167 M207 G208 I212V164-L210 HydrophobicContact CG1-CD1 3.97Å; V164-L210 HydrophobicContact CG2-CD1 3.87Å; R167-L210 VanDerWaalsContact CZ-CD2 3.43Å; M207-L210 HydrophobicContact CE-CD1 4.03Å; M207-L210 PolarHBondContact O-N 2.85Å; M207-L210 HydrophobicContact SD-CD1 3.85Å; G208-L210 PolarHBondContact O-N 3.42Å; L210-I212 VanDerWaalsContact C-N 3.29Å; L210-I212 HydrophobicContact CB-CD1 4.25Å; L210-I212 HydrophobicContact CB-CG1 4.46Å; L210-I212 PolarHBondContact O-N 2.8Å
211G96.1Very high97.5Very high47 Ų4735.7 Ų35.749%0.48522%0.218SC..THydrogen-bonded Turntrans74.615.6179.600000114.3M207 G208 P213M207-G211 PolarHBondContact O-N 3.37Å; G208-G211 PolarHBondContact O-N 2.87Å; G211-P213 WeakPolarHBondContact O-CD 3.3Å
212I98.3Very high97.4Very high3 Ų333.5 Ų33.52%0.01521%0.206CC..  trans-97.5106.3179.5-61166.6000108.5L160 M163 V164 I171 M207 L210L160-I212 HydrophobicContact CD1-CD1 4.25Å; M163-I212 HydrophobicContact CB-CD1 3.9Å; V164-I212 HydrophobicContact CB-CD1 4.38Å; V164-I212 HydrophobicContact CG2-CD1 3.7Å; I171-I212 HydrophobicContact CD1-CG2 4.46Å; M207-I212 HydrophobicContact CB-CB 4.15Å; M207-I212 PolarHBondContact O-N 2.92Å; L210-I212 VanDerWaalsContact C-N 3.29Å; L210-I212 HydrophobicContact CB-CD1 4.25Å; L210-I212 HydrophobicContact CB-CG1 4.46Å; L210-I212 PolarHBondContact O-N 2.8Å
213P98.2Very high97.1Very high27 Ų2736.9 Ų36.918%0.17521%0.209CC..  trans-72.1148.5179.8-13.330.8000111.1G169 H170 I171 G211 K265G169-P213 WeakPolarHBondContact O-CD 3.31Å; H170-P213 WeakPolarHBondContact CA-O 3.36Å; H170-P213 PolarHBondContact CD2-O 3.27Å; I171-P213 PolarHBondContact N-O 3.48Å; G211-P213 WeakPolarHBondContact O-CD 3.3Å; P213-K265 HydrophobicContact CB-CB 4.16Å; P213-K265 HydrophobicContact CB-CG 4.39Å; P213-K265 HydrophobicContact CG-CB 4.17Å; P213-K265 HydrophobicContact CG-CD 3.65Å; P213-K265 HydrophobicContact CG-CG 3.94Å
214V98.7Very high96.8Very high2 Ų237.7 Ų37.71%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-123.6120170.8-175.90000109I171 F200 L203 R204I171-V214 HydrophobicContact CB-CG1 4.46Å; I171-V214 HydrophobicContact CB-CG2 4.33Å; I171-V214 HydrophobicContact CG2-CG1 4.42Å; I171-V214 CarbonylContact O-C 3.59Å; I171-V214 VanDerWaalsContact O-CA 3.28Å; I171-V214 WeakPolarHBondContact O-CA 3.16Å; F200-V214 HydrophobicContact CB-CG1 4.13Å; F200-V214 HydrophobicContact CD1-CG1 3.95Å; L203-V214 HydrophobicContact CD2-CG2 4.19Å; L203-V214 HydrophobicContact CG-CG2 4.09Å; R204-V214 HydrophobicContact CB-CB 3.79Å; R204-V214 HydrophobicContact CB-CG1 4.4Å; R204-V214 HydrophobicContact CB-CG2 4.23Å; R204-V214 HydrophobicContact CG-CB 3.99Å; R204-V214 PolarHBondContact NE-O 2.87Å
215T98.7Very high96.5Very high0 Ų040.8 Ų40.80%023%0.234CC..EExtended strand (participates in β ladder)trans-106.9124.4177.1-60.80000110H170 I171 V172 V173 I217 A261 S266 K267 V269H170-T215 PolarHBondContact CE1-OG1 3.49Å; H170-T215 PolarHBondContact NE2-OG1 3.45Å; I171-T215 PolarHBondContact O-N 3.45Å; V172-T215 CarbonylContact C-O 3.51Å; V172-T215 VanDerWaalsContact CA-O 3.32Å; V172-T215 WeakPolarHBondContact CA-O 3.46Å; V172-T215 HydrophobicContact CG1-CG2 4.38Å; V173-T215 PolarHBondContact N-O 3.32Å; T215-I217 HydrophobicContact CG2-CD1 4.27Å; T215-I217 HydrophobicContact CG2-CG1 3.77Å; T215-A261 HydrophobicContact CG2-CB 4.11Å; T215-S266 WeakPolarHBondContact CA-O 3.43Å; T215-S266 WeakPolarHBondContact CB-O 3.11Å; T215-S266 VanDerWaalsContact CG2-O 3.29Å; T215-S266 WeakPolarHBondContact CG2-O 3.46Å; T215-S266 PolarHBondContact OG1-O 3.37Å; T215-K267 WeakPolarHBondContact CA-O 3.12Å; T215-V269 HydrophobicContact CG2-CG2 4.24Å
216V98.6Very high96Very high0 Ų039.8 Ų39.80%022%0.216CC..EExtended strand (participates in β ladder)trans-104.4126.3167.9179.80000108.7V173 F200 K267 V269V173-V216 HydrophobicContact CG1-CB 4.01Å; V173-V216 HydrophobicContact CG1-CG1 4.02Å; V173-V216 HydrophobicContact CG1-CG2 3.52Å; F200-V216 HydrophobicContact CB-CG2 3.75Å; V216-K267 PolarHBondContact N-O 3.35Å; V216-V269 PolarHBondContact O-N 3.46Å
217I98.4Very high95.5Very high1 Ų134.4 Ų34.41%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-109.7121.7177.6-51.9-174.9000108.2V172 V173 I174 S175 T215 P219 V258 A261 V269 L271V172-I217 HydrophobicContact CG1-CD1 3.82Å; V172-I217 HydrophobicContact CG1-CG1 4.22Å; V173-I217 PolarHBondContact O-N 3.17Å; I174-I217 HydrophobicContact CD1-CB 4.02Å; I174-I217 HydrophobicContact CD1-CD1 3.94Å; I174-I217 HydrophobicContact CD1-CG1 4.31Å; S175-I217 CarbonylContact C-O 3.12Å; S175-I217 WeakPolarHBondContact CA-O 3.36Å; S175-I217 PolarHBondContact N-O 3.05Å; T215-I217 HydrophobicContact CG2-CD1 4.27Å; T215-I217 HydrophobicContact CG2-CG1 3.77Å; I217-P219 VanDerWaalsContact C-CD 3.43Å; I217-P219 WeakPolarHBondContact O-CD 3.46Å; I217-V258 HydrophobicContact CD1-CB 3.94Å; I217-V258 HydrophobicContact CD1-CG1 3.81Å; I217-V258 HydrophobicContact CD1-CG2 3.65Å; I217-A261 HydrophobicContact CD1-CB 4.23Å; I217-V269 CarbonylContact C-O 3.31Å; I217-V269 WeakPolarHBondContact CA-O 3.34Å; I217-V269 HydrophobicContact CG1-CB 4.42Å; I217-L271 HydrophobicContact CG2-CD1 3.6Å; I217-L271 HydrophobicContact CG2-CG 4.09Å
218S98Very high95.2Very high0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-111.280.3-178.8-65.20000110.1K180 V269 L271K180-S218 WeakPolarHBondContact CE-OG 3.13Å; S218-V269 PolarHBondContact N-O 2.88Å; S218-L271 PolarHBondContact O-N 3.31Å
219P96.8Very high95Very high6 Ų637 Ų374%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-73.1150.8177.230.8-35000112I174 V177 I217 I222 L271I174-P219 HydrophobicContact CG2-CG 4.11Å; V177-P219 PolarHBondContact N-O 3.23Å; I217-P219 VanDerWaalsContact C-CD 3.43Å; I217-P219 WeakPolarHBondContact O-CD 3.46Å; P219-I222 HydrophobicContact CB-CD1 3.86Å; P219-I222 HydrophobicContact CB-CG1 4.18Å; P219-I222 HydrophobicContact CG-CD1 4.08Å; P219-L271 CarbonylContact C-O 3.57Å; P219-L271 WeakPolarHBondContact CA-O 3.41Å; P219-L271 HydrophobicContact CB-CB 4.44Å
220G95Very high94.9Very high10 Ų1030.3 Ų30.310%0.10316%0.164CC..  trans-72.3-152.9159.300000111.5L271G220-L271 PolarHBondContact N-O 2.62Å
221Y93.5Very high94.8Very high53 Ų5330.7 Ų30.721%0.20817%0.167CC..  trans-68.2137.6175.3-62.3-79.4000111.2T244 G248 W249Y221-T244 WeakPolarHBondContact CB-O 3.24Å; Y221-T244 WeakPolarHBondContact CE1-OG1 3.43Å; Y221-T244 HydrophobicContact CE2-CG2 4.19Å; Y221-G248 CarbonylContact O-C 3.37Å; Y221-G248 VanDerWaalsContact O-CA 3.25Å; Y221-G248 WeakPolarHBondContact O-CA 3.39Å; Y221-W249 PolarHBondContact O-N 3.42Å
222I94.7Very high94.8Very high9 Ų929.5 Ų29.55%0.04615%0.151CC..BIsolated β-bridgetrans-122.5136.8176.7-47.1178.1000107.1L45 P219 T224 T245 W249 P251 V254L45-I222 HydrophobicContact CD2-CD1 3.92Å; P219-I222 HydrophobicContact CB-CD1 3.86Å; P219-I222 HydrophobicContact CB-CG1 4.18Å; P219-I222 HydrophobicContact CG-CD1 4.08Å; I222-T224 VanDerWaalsContact C-N 3.32Å; I222-T224 HydrophobicContact CB-CG2 4.3Å; I222-T224 HydrophobicContact CG2-CG2 3.87Å; I222-T224 PolarHBondContact O-N 3.36Å; I222-T245 WeakPolarHBondContact O-CG2 3.41Å; I222-W249 WeakPolarHBondContact CA-O 3.36Å; I222-W249 WeakPolarHBondContact CG2-O 3Å; I222-P251 HydrophobicContact CG2-CB 3.97Å; I222-P251 HydrophobicContact CG2-CG 3.75Å; I222-V254 HydrophobicContact CD1-CB 4.35Å; I222-V254 HydrophobicContact CD1-CG1 3.92Å; I222-V254 HydrophobicContact CD1-CG2 4.13Å; I222-V254 HydrophobicContact CG1-CG2 4.16Å; I222-V254 HydrophobicContact CG2-CG2 4.21Å
223R93.9Very high94.5Very high141 Ų14129.9 Ų29.953%0.53216%0.155SC..SBendtrans-72.783.5180-167.1-173.3-58.21406.8111.2T245 A246 W249 P251R223-T245 WeakPolarHBondContact CA-O 3.39Å; R223-A246 PolarHBondContact NE-O 3.38Å; R223-W249 PolarHBondContact N-O 3.06Å; R223-P251 WeakPolarHBondContact O-CG 3.28Å
224T92.2Very high94.4Very high24 Ų2433.2 Ų33.215%0.14717%0.172CC..SBendtrans-137.1173.6178.267.80000110.8I222 M226 T245 P251I222-T224 VanDerWaalsContact C-N 3.32Å; I222-T224 HydrophobicContact CB-CG2 4.3Å; I222-T224 HydrophobicContact CG2-CG2 3.87Å; I222-T224 PolarHBondContact O-N 3.36Å; T224-M226 PolarHBondContact O-N 3.1Å; T224-M226 VanDerWaalsContact OG1-CB 3.23Å; T224-M226 WeakPolarHBondContact OG1-CB 3.42Å; T224-M226 PolarHBondContact OG1-N 2.99Å; T224-T245 WeakPolarHBondContact O-CG2 3.44Å; T224-P251 HydrophobicContact CG2-CB 4.3Å; T224-P251 HydrophobicContact CG2-CG 3.69Å
225N90.3Very high94.2Very high111 Ų11134.9 Ų34.959%0.59419%0.189SC*.THydrogen-bonded Turntrans-73.211.8173.6-63.3-11.9000113.5S227 V228 N229N225-S227 VanDerWaalsContact C-N 3.28Å; N225-S227 PolarHBondContact O-N 2.88Å; N225-V228 PolarHBondContact O-N 2.81Å; N225-N229 WeakPolarHBondContact O-CB 3.47Å; N225-N229 PolarHBondContact O-N 2.89Å; N225-N229 PolarHBondContact O-ND2 3.27Å
226M88.9Confident94Very high59 Ų5937.6 Ų37.629%0.29121%0.208SC..THydrogen-bonded Turntrans-62.4-30.5-177.1-178.8172.961.600113.4T224 A230T224-M226 PolarHBondContact O-N 3.1Å; T224-M226 VanDerWaalsContact OG1-CB 3.23Å; T224-M226 WeakPolarHBondContact OG1-CB 3.42Å; T224-M226 PolarHBondContact OG1-N 2.99Å; M226-A230 PolarHBondContact O-N 3.22Å
227S87.9Confident93.8Very high0 Ų042.1 Ų42.10%024%0.235CC..THydrogen-bonded Turntrans-75.8-43.4173.466.90000112N225 N229 A230 Y238 V240 V241 D242N225-S227 VanDerWaalsContact C-N 3.28Å; N225-S227 PolarHBondContact O-N 2.88Å; S227-N229 VanDerWaalsContact C-N 3.26Å; S227-N229 PolarHBondContact O-N 2.95Å; S227-A230 WeakPolarHBondContact O-CB 3.39Å; S227-A230 PolarHBondContact O-N 2.99Å; S227-A230 VanDerWaalsContact O-N 3.09Å; S227-Y238 VanDerWaalsContact O-CD1 3.3Å; S227-Y238 WeakPolarHBondContact O-CD1 3.25Å; S227-V240 CarbonylContact C-O 3.57Å; S227-V240 WeakPolarHBondContact CB-O 3.43Å; S227-V240 PolarHBondContact OG-O 2.9Å; S227-V241 WeakPolarHBondContact OG-CA 3.43Å; S227-D242 WeakPolarHBondContact CB-OD2 3.48Å; S227-D242 PolarHBondContact OG-N 3.5Å
228V90.8Very high93.6Very high37 Ų3745.6 Ų45.622%0.22425%0.249CC..THydrogen-bonded Turntrans-56.8-44.8177.8-179.20000110.4N225 A230 T237 G239 V240 V241N225-V228 PolarHBondContact O-N 2.81Å; V228-A230 VanDerWaalsContact C-N 3.26Å; V228-A230 PolarHBondContact O-N 3.4Å; V228-T237 WeakPolarHBondContact O-CG2 3.35Å; V228-G239 PolarHBondContact O-N 3.26Å; V228-V240 PolarHBondContact N-O 3.45Å; V228-V241 HydrophobicContact CG2-CB 4.49Å; V228-V241 HydrophobicContact CG2-CG2 3.47Å; V228-V241 VanDerWaalsContact CG2-CG2 3.47Å
229N92.6Very high93.2Very high86 Ų8648 Ų4846%0.4627%0.274SS..THydrogen-bonded Turntrans-84.68.9-178.4-60.4-20.6000114.1N225 S227N225-N229 WeakPolarHBondContact O-CB 3.47Å; N225-N229 PolarHBondContact O-N 2.89Å; N225-N229 PolarHBondContact O-ND2 3.27Å; S227-N229 VanDerWaalsContact C-N 3.26Å; S227-N229 PolarHBondContact O-N 2.95Å
230A92.8Very high92.8Very high0 Ų051.3 Ų51.30%029%0.294CS..  trans-73.6148.6-178.500000111.4S128 M226 S227 V228 T237 Y238S128-A230 CarbonylContact O-C 3.39Å; S128-A230 WeakPolarHBondContact O-CA 3.37Å; S128-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 3.22Å; S227-A230 WeakPolarHBondContact O-CB 3.39Å; S227-A230 PolarHBondContact O-N 2.99Å; S227-A230 VanDerWaalsContact O-N 3.09Å; V228-A230 VanDerWaalsContact C-N 3.26Å; V228-A230 PolarHBondContact O-N 3.4Å; A230-T237 CarbonylContact O-C 3.59Å; A230-T237 WeakPolarHBondContact O-CA 3.4Å; A230-Y238 WeakPolarHBondContact O-CB 3.13Å; A230-Y238 PolarHBondContact O-N 3.45Å
231V95.5Very high92.6Very high28 Ų2854.9 Ų54.917%0.1731%0.313CS..EExtended strand (participates in β ladder)trans-83.9147.3173-63.40000111I127 S128 Y129 R130 V140 V144 S236I127-V231 HydrophobicContact CD1-CG1 4.4Å; I127-V231 HydrophobicContact CD1-CG2 4.26Å; S128-V231 PolarHBondContact O-N 3.4Å; Y129-V231 CarbonylContact C-O 3.57Å; Y129-V231 VanDerWaalsContact CA-O 3.22Å; Y129-V231 WeakPolarHBondContact CA-O 3.06Å; Y129-V231 HydrophobicContact CD2-CG2 4.24Å; R130-V231 PolarHBondContact N-O 3.5Å; V140-V231 HydrophobicContact CG1-CG2 3.97Å; V144-V231 HydrophobicContact CG2-CG2 3.85Å; V231-S236 CarbonylContact C-O 3.52Å; V231-S236 WeakPolarHBondContact CA-O 3.29Å
232T96Very high92.3Very high23 Ų2353.1 Ų53.114%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-101.1-174.6175.664.20000111.6R130 V140 D234 G235 S236 Y238R130-T232 WeakPolarHBondContact O-CA 3.21Å; V140-T232 WeakPolarHBondContact CG1-O 3.33Å; T232-D234 PolarHBondContact O-N 2.93Å; T232-D234 PolarHBondContact OG1-OD1 3.25Å; T232-G235 PolarHBondContact O-N 2.66Å; T232-S236 PolarHBondContact N-O 2.82Å; T232-S236 PolarHBondContact OG1-O 3.42Å; T232-S236 PolarHBondContact OG1-OG 3.02Å; T232-Y238 HydrophobicContact CG2-CD2 4Å; T232-Y238 HydrophobicContact CG2-CG 4.42Å
233G93.9Very high92Very high11 Ų1161.7 Ų61.711%0.11334%0.344CS..THydrogen-bonded Turntrans-59.8-29.9-176.800000114.7T136 H137 V140T136-G233 WeakPolarHBondContact CA-O 3.44Å; H137-G233 PolarHBondContact N-O 3.46Å; V140-G233 WeakPolarHBondContact CG2-O 3.49Å
234D95.1Very high91.6Very high97 Ų9757.3 Ų57.352%0.51933%0.333SS..THydrogen-bonded Turntrans-94.9-5.4179.665.22.4000113.5T232 S236T232-D234 PolarHBondContact O-N 2.93Å; T232-D234 PolarHBondContact OG1-OD1 3.25Å; D234-S236 WeakPolarHBondContact OD1-CB 3.45Å; D234-S236 PolarHBondContact OD1-N 3.04Å; D234-S236 PolarHBondContact OD1-OG 2.8Å
235G93.9Very high91.4Very high36 Ų3656.2 Ų56.237%0.37133%0.327SS..SBendtrans94.9-3.4-177.600000114.6T232T232-G235 PolarHBondContact O-N 2.66Å
236S95.4Very high91.2Very high57 Ų5753.1 Ų53.140%0.39932%0.316SS..  trans-68.4165.2173.2650000112.1V231 T232 D234V231-S236 CarbonylContact C-O 3.52Å; V231-S236 WeakPolarHBondContact CA-O 3.29Å; T232-S236 PolarHBondContact N-O 2.82Å; T232-S236 PolarHBondContact OG1-O 3.42Å; T232-S236 PolarHBondContact OG1-OG 3.02Å; D234-S236 WeakPolarHBondContact OD1-CB 3.45Å; D234-S236 PolarHBondContact OD1-N 3.04Å; D234-S236 PolarHBondContact OD1-OG 2.8Å
237T94.9Very high91.2Very high95 Ų9554.8 Ų54.858%0.58333%0.334SS*.BIsolated β-bridgetrans-82.7131.9177.8-620000110.4V228 A230 G239V228-T237 WeakPolarHBondContact O-CG2 3.35Å; A230-T237 CarbonylContact O-C 3.59Å; A230-T237 WeakPolarHBondContact O-CA 3.4Å; T237-G239 PolarHBondContact O-N 3.47Å
238Y92.8Very high91.4Very high75 Ų7555.2 Ų55.229%0.29434%0.338SS..  trans-63.4-36-177.2-179.2-119000113.4R130 S227 A230 T232 V240 D242R130-Y238 HydrophobicContact CB-CD2 3.79Å; R130-Y238 HydrophobicContact CB-CE2 4.01Å; R130-Y238 HydrophobicContact CB-CG 4.13Å; R130-Y238 HydrophobicContact CG-CD1 3.96Å; R130-Y238 HydrophobicContact CG-CD2 3.91Å; R130-Y238 HydrophobicContact CG-CE1 3.92Å; R130-Y238 HydrophobicContact CG-CE2 3.9Å; R130-Y238 HydrophobicContact CG-CG 3.92Å; S227-Y238 VanDerWaalsContact O-CD1 3.3Å; S227-Y238 WeakPolarHBondContact O-CD1 3.25Å; A230-Y238 WeakPolarHBondContact O-CB 3.13Å; A230-Y238 PolarHBondContact O-N 3.45Å; T232-Y238 HydrophobicContact CG2-CD2 4Å; T232-Y238 HydrophobicContact CG2-CG 4.42Å; Y238-V240 HydrophobicContact CD1-CB 3.95Å; Y238-V240 WeakPolarHBondContact CD1-O 3.39Å; Y238-V240 HydrophobicContact CE1-CB 3.59Å; Y238-V240 HydrophobicContact CE1-CG1 4.23Å; Y238-V240 PolarHBondContact O-N 3.43Å; Y238-D242 WeakPolarHBondContact CE1-OD1 3.48Å; Y238-D242 PolarHBondContact OH-OD1 3.13Å
239G90.3Very high91.5Very high50 Ų5059.1 Ų59.152%0.51535%0.349SS..  trans72.8-7.1170.500000116.2V228 T237V228-G239 PolarHBondContact O-N 3.26Å; T237-G239 PolarHBondContact O-N 3.47Å
240V89.3Confident91.7Very high76 Ų7658.2 Ų58.246%0.46134%0.344SS..  trans-110.2140.4-173.1178.70000112.7S227 V228 Y238 D242S227-V240 CarbonylContact C-O 3.57Å; S227-V240 WeakPolarHBondContact CB-O 3.43Å; S227-V240 PolarHBondContact OG-O 2.9Å; V228-V240 PolarHBondContact N-O 3.45Å; Y238-V240 HydrophobicContact CD1-CB 3.95Å; Y238-V240 WeakPolarHBondContact CD1-O 3.39Å; Y238-V240 HydrophobicContact CE1-CB 3.59Å; Y238-V240 HydrophobicContact CE1-CG1 4.23Å; Y238-V240 PolarHBondContact O-N 3.43Å; V240-D242 PolarHBondContact O-N 2.98Å
241V88.9Confident91.8Very high84 Ų8459 Ų5951%0.50935%0.349SS..  trans-80.8105.7168.2-175.70000109.2S227 V228 K243 A246S227-V241 WeakPolarHBondContact OG-CA 3.43Å; V228-V241 HydrophobicContact CG2-CB 4.49Å; V228-V241 HydrophobicContact CG2-CG2 3.47Å; V228-V241 VanDerWaalsContact CG2-CG2 3.47Å; V241-K243 PolarHBondContact O-N 2.71Å; V241-A246 HydrophobicContact CG1-CB 4.06Å
242D87.4Confident91.8Very high16 Ų1663.6 Ų63.69%0.08636%0.363CS..  trans-61.2136.8175-70.2-35.6000109.8R130 R186 S227 Y238 V240 T244 T245 A246R130-D242 IonicContact CZ-OD2 3.56Å; R130-D242 IonicContact NE-OD2 3.72Å; R130-D242 PolarHBondContact NE-OD2 3.46Å; R130-D242 IonicContact NH2-OD2 3.31Å; R130-D242 PolarHBondContact NH2-OD2 2.99Å; R186-D242 IonicContact NH2-OD1 3.45Å; R186-D242 IonicContact NH2-OD2 2.89Å; R186-D242 PolarHBondContact NH2-OD2 2.84Å; R186-D242 VanDerWaalsContact NH2-OD2 3.11Å; S227-D242 WeakPolarHBondContact CB-OD2 3.48Å; S227-D242 PolarHBondContact OG-N 3.5Å; Y238-D242 WeakPolarHBondContact CE1-OD1 3.48Å; Y238-D242 PolarHBondContact OH-OD1 3.13Å; V240-D242 PolarHBondContact O-N 2.98Å; D242-T244 PolarHBondContact O-N 3.49Å; D242-T244 VanDerWaalsContact O-N 3.13Å; D242-T245 WeakPolarHBondContact O-CA 3.42Å; D242-T245 WeakPolarHBondContact O-CB 3.27Å; D242-T245 PolarHBondContact O-N 3.37Å; D242-A246 PolarHBondContact O-N 3.17Å
243K88.8Confident91.8Very high189 Ų18965.3 Ų65.382%0.82237%0.374SS*.Hα-helixtrans-52.5-38.5176.1-68.4-175.5-179.7-179.80112.4V241 T245 A246 S247V241-K243 PolarHBondContact O-N 2.71Å; K243-T245 VanDerWaalsContact C-N 3.33Å; K243-T245 PolarHBondContact O-N 3.36Å; K243-A246 PolarHBondContact O-N 3.01Å; K243-S247 PolarHBondContact O-N 2.89Å; K243-S247 PolarHBondContact O-OG 3.11Å
244T86.8Confident92Very high49 Ų4965 Ų6530%0.30137%0.37SS..Hα-helixtrans-66.9-32.1177.253.40000113.2Y221 D242 S247 G248Y221-T244 WeakPolarHBondContact CB-O 3.24Å; Y221-T244 WeakPolarHBondContact CE1-OG1 3.43Å; Y221-T244 HydrophobicContact CE2-CG2 4.19Å; D242-T244 PolarHBondContact O-N 3.49Å; D242-T244 VanDerWaalsContact O-N 3.13Å; T244-S247 PolarHBondContact O-OG 3.13Å; T244-G248 PolarHBondContact O-N 2.89Å
245T86.2Confident92.2Very high2 Ų260.4 Ų60.41%0.01235%0.345CS..Hα-helixtrans-74-42.3175-58.90000110.2I222 R223 T224 D242 K243 S247 G248I222-T245 WeakPolarHBondContact O-CG2 3.41Å; R223-T245 WeakPolarHBondContact CA-O 3.39Å; T224-T245 WeakPolarHBondContact O-CG2 3.44Å; D242-T245 WeakPolarHBondContact O-CA 3.42Å; D242-T245 WeakPolarHBondContact O-CB 3.27Å; D242-T245 PolarHBondContact O-N 3.37Å; K243-T245 VanDerWaalsContact C-N 3.33Å; K243-T245 PolarHBondContact O-N 3.36Å; T245-S247 VanDerWaalsContact C-N 3.32Å; T245-S247 PolarHBondContact O-N 3.08Å; T245-G248 PolarHBondContact O-N 3.2Å
246A87.7Confident92.3Very high45 Ų4565.9 Ų65.937%0.37236%0.355SS..Hα-helixtrans-60.1-41.9175.600000112.1R223 V241 D242 K243 G248R223-A246 PolarHBondContact NE-O 3.38Å; V241-A246 HydrophobicContact CG1-CB 4.06Å; D242-A246 PolarHBondContact O-N 3.17Å; K243-A246 PolarHBondContact O-N 3.01Å; A246-G248 PolarHBondContact O-N 3.48Å
247S89.1Confident92.4Very high94 Ų9464.4 Ų64.466%0.65735%0.346SS*.THydrogen-bonded Turntrans-81.28.4174.771.50000113.9K243 T244 T245K243-S247 PolarHBondContact O-N 2.89Å; K243-S247 PolarHBondContact O-OG 3.11Å; T244-S247 PolarHBondContact O-OG 3.13Å; T245-S247 VanDerWaalsContact C-N 3.32Å; T245-S247 PolarHBondContact O-N 3.08Å
248G91.6Very high92.6Very high9 Ų959.9 Ų59.99%0.09332%0.318CS..SBendtrans-69.7172.9-179.500000113.3Y221 T244 T245 A246Y221-G248 CarbonylContact O-C 3.37Å; Y221-G248 VanDerWaalsContact O-CA 3.25Å; Y221-G248 WeakPolarHBondContact O-CA 3.39Å; T244-G248 PolarHBondContact O-N 2.89Å; T245-G248 PolarHBondContact O-N 3.2Å; A246-G248 PolarHBondContact O-N 3.48Å
249W93.2Very high92.8Very high120 Ų12057.4 Ų57.446%0.45531%0.31SS..BIsolated β-bridgetrans-63148.2174.4-7072000111Y221 I222 R223 P251 V253 V254Y221-W249 PolarHBondContact O-N 3.42Å; I222-W249 WeakPolarHBondContact CA-O 3.36Å; I222-W249 WeakPolarHBondContact CG2-O 3Å; R223-W249 PolarHBondContact N-O 3.06Å; W249-P251 WeakPolarHBondContact O-CD 3.29Å; W249-V253 HydrophobicContact CE3-CG1 3.91Å; W249-V253 HydrophobicContact CZ3-CG1 4.11Å; W249-V254 HydrophobicContact CB-CG2 3.82Å
250D95.5Very high93.1Very high66 Ų6660.7 Ų60.735%0.35331%0.31SS..PPolyproline II helixtrans-61.8124.9169.3-174.5-32.1000109.4R252 V253 V254D250-R252 PolarHBondContact O-N 3.14Å; D250-R252 VanDerWaalsContact O-N 3.13Å; D250-R252 VanDerWaalsContact OD1-CB 3.24Å; D250-R252 WeakPolarHBondContact OD1-CB 3.23Å; D250-R252 WeakPolarHBondContact OD1-CG 3.37Å; D250-R252 PolarHBondContact OD1-N 3.33Å; D250-V253 HydrophobicContact CB-CB 4.43Å; D250-V253 HydrophobicContact CB-CG2 4.02Å; D250-V253 WeakPolarHBondContact O-CB 3.23Å; D250-V253 PolarHBondContact O-N 3.37Å; D250-V254 PolarHBondContact O-N 3.21Å
251P96Very high93.5Very high17 Ų1757.2 Ų57.211%0.1129%0.289CS..Hα-helixtrans-52-32.6176.8-2329.7000113.9E48 I222 R223 T224 W249 V253 V254 A255E48-P251 HydrophobicContact CB-CB 4.38Å; E48-P251 HydrophobicContact CG-CB 3.81Å; I222-P251 HydrophobicContact CG2-CB 3.97Å; I222-P251 HydrophobicContact CG2-CG 3.75Å; R223-P251 WeakPolarHBondContact O-CG 3.28Å; T224-P251 HydrophobicContact CG2-CB 4.3Å; T224-P251 HydrophobicContact CG2-CG 3.69Å; W249-P251 WeakPolarHBondContact O-CD 3.29Å; P251-V253 PolarHBondContact O-N 2.94Å; P251-V254 PolarHBondContact O-N 3.06Å; P251-A255 WeakPolarHBondContact O-CB 3.36Å; P251-A255 PolarHBondContact O-N 3.1Å
252R95.9Very high94Very high124 Ų12453.5 Ų53.547%0.46827%0.267SS..Hα-helixtrans-62.4-41.8176-69.4169.1179.1-1593.7112.1E48 D250 A255 R256E48-R252 HydrophobicContact CG-CG 4.2Å; E48-R252 WeakPolarHBondContact OE2-CG 3.35Å; E48-R252 IonicContact OE2-NE 2.85Å; D250-R252 PolarHBondContact O-N 3.14Å; D250-R252 VanDerWaalsContact O-N 3.13Å; D250-R252 VanDerWaalsContact OD1-CB 3.24Å; D250-R252 WeakPolarHBondContact OD1-CB 3.23Å; D250-R252 WeakPolarHBondContact OD1-CG 3.37Å; D250-R252 PolarHBondContact OD1-N 3.33Å; R252-A255 PolarHBondContact O-N 2.8Å; R252-R256 WeakPolarHBondContact O-CG 3.33Å; R252-R256 PolarHBondContact O-N 2.74Å
253V96.2Very high94.4Very high59 Ų5957.4 Ų57.436%0.35828%0.28SS..Hα-helixtrans-66.5-43.1178.8174.80000109.8W249 D250 P251 R256 A257W249-V253 HydrophobicContact CE3-CG1 3.91Å; W249-V253 HydrophobicContact CZ3-CG1 4.11Å; D250-V253 HydrophobicContact CB-CB 4.43Å; D250-V253 HydrophobicContact CB-CG2 4.02Å; D250-V253 WeakPolarHBondContact O-CB 3.23Å; D250-V253 PolarHBondContact O-N 3.37Å; P251-V253 PolarHBondContact O-N 2.94Å; V253-R256 PolarHBondContact O-N 3.06Å; V253-A257 PolarHBondContact O-N 2.96Å
254V97.6Very high94.7Very high5 Ų550.6 Ų50.63%0.0325%0.253CS..Hα-helixtrans-64-45.6176.6-175.30000110.6L45 I222 W249 D250 P251 R256 A257 V258 L271L45-V254 HydrophobicContact CD1-CB 3.78Å; L45-V254 HydrophobicContact CD1-CG1 3.67Å; L45-V254 HydrophobicContact CD2-CG1 4.04Å; I222-V254 HydrophobicContact CD1-CB 4.35Å; I222-V254 HydrophobicContact CD1-CG1 3.92Å; I222-V254 HydrophobicContact CD1-CG2 4.13Å; I222-V254 HydrophobicContact CG1-CG2 4.16Å; I222-V254 HydrophobicContact CG2-CG2 4.21Å; W249-V254 HydrophobicContact CB-CG2 3.82Å; D250-V254 PolarHBondContact O-N 3.21Å; P251-V254 PolarHBondContact O-N 3.06Å; V254-R256 VanDerWaalsContact C-N 3.35Å; V254-R256 PolarHBondContact O-N 3.46Å; V254-A257 CarbonylContact O-C 3.53Å; V254-A257 WeakPolarHBondContact O-CA 3.39Å; V254-A257 WeakPolarHBondContact O-CB 3.45Å; V254-A257 PolarHBondContact O-N 3.3Å; V254-V258 WeakPolarHBondContact O-CG2 3.43Å; V254-V258 PolarHBondContact O-N 3.25Å; V254-L271 HydrophobicContact CG1-CD1 3.98Å
255A98.2Very high95.1Very high0 Ų053.9 Ų53.90%026%0.263CS..Hα-helixtrans-58.8-41.2177.100000113L45 E48 V52 P251 R252 A257 V258 L259L45-A255 HydrophobicContact CD1-CB 4.2Å; E48-A255 HydrophobicContact CB-CB 3.81Å; V52-A255 HydrophobicContact CB-CB 4.36Å; V52-A255 HydrophobicContact CG2-CB 3.88Å; P251-A255 WeakPolarHBondContact O-CB 3.36Å; P251-A255 PolarHBondContact O-N 3.1Å; R252-A255 PolarHBondContact O-N 2.8Å; A255-A257 VanDerWaalsContact C-N 3.31Å; A255-A257 PolarHBondContact O-N 2.88Å; A255-V258 WeakPolarHBondContact O-CB 3.37Å; A255-V258 PolarHBondContact O-N 3.05Å; A255-L259 PolarHBondContact O-N 3.36Å
256R97.4Very high95.6Very high152 Ų15255.5 Ų55.557%0.57427%0.274SS*.Hα-helixtrans-63.5-36.8172.3-69.9178.7-158.8139.91.5112.3V52 R252 V253 V254 L259 K260V52-R256 HydrophobicContact CG1-CG 4.35Å; V52-R256 HydrophobicContact CG2-CG 4.03Å; R252-R256 WeakPolarHBondContact O-CG 3.33Å; R252-R256 PolarHBondContact O-N 2.74Å; V253-R256 PolarHBondContact O-N 3.06Å; V254-R256 VanDerWaalsContact C-N 3.35Å; V254-R256 PolarHBondContact O-N 3.46Å; R256-L259 PolarHBondContact O-N 3.24Å; R256-K260 WeakPolarHBondContact O-CB 3.49Å; R256-K260 PolarHBondContact O-N 3.49Å
257A97.3Very high96Very high26 Ų2660.6 Ų60.622%0.21529%0.288CS..Hα-helixtrans-67.8-36.9174.300000111.9V253 V254 A255 K260 A261 L271V253-A257 PolarHBondContact O-N 2.96Å; V254-A257 CarbonylContact O-C 3.53Å; V254-A257 WeakPolarHBondContact O-CA 3.39Å; V254-A257 WeakPolarHBondContact O-CB 3.45Å; V254-A257 PolarHBondContact O-N 3.3Å; A255-A257 VanDerWaalsContact C-N 3.31Å; A255-A257 PolarHBondContact O-N 2.88Å; A257-K260 PolarHBondContact O-N 3.47Å; A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 2.92Å; A257-L271 HydrophobicContact CB-CD1 3.58Å; A257-L271 HydrophobicContact CB-CD2 3.93Å; A257-L271 HydrophobicContact CB-CG 4.44Å
258V98.4Very high96.3Very high0 Ų059.8 Ų59.80%028%0.276CS..Hα-helixtrans-59.2-51170.4-179.80000110.3F53 I122 V172 I174 I217 V254 A255 K260 A261 V262F53-V258 HydrophobicContact CE2-CG1 4.16Å; F53-V258 HydrophobicContact CZ-CG1 4.36Å; I122-V258 HydrophobicContact CD1-CG1 4.33Å; V172-V258 HydrophobicContact CG1-CG1 4.31Å; I174-V258 HydrophobicContact CD1-CG2 4.03Å; I217-V258 HydrophobicContact CD1-CB 3.94Å; I217-V258 HydrophobicContact CD1-CG1 3.81Å; I217-V258 HydrophobicContact CD1-CG2 3.65Å; V254-V258 WeakPolarHBondContact O-CG2 3.43Å; V254-V258 PolarHBondContact O-N 3.25Å; A255-V258 WeakPolarHBondContact O-CB 3.37Å; A255-V258 PolarHBondContact O-N 3.05Å; V258-K260 VanDerWaalsContact C-N 3.31Å; V258-K260 PolarHBondContact O-N 2.88Å; V258-A261 WeakPolarHBondContact O-CB 3.49Å; V258-A261 PolarHBondContact O-N 3.32Å; V258-A261 VanDerWaalsContact O-N 3.12Å; V258-V262 WeakPolarHBondContact O-CG2 3.35Å; V258-V262 PolarHBondContact O-N 3.15Å
259L97.9Very high96.6Very high22 Ų2260.6 Ų60.612%0.11528%0.279CS..Hα-helixtrans-56.5-46.5176.1175.262.5000111.3V31 V52 F53 A56 A255 R256 A261 V262 R263V31-L259 HydrophobicContact CB-CD1 4.46Å; V31-L259 HydrophobicContact CG1-CD1 3.98Å; V31-L259 HydrophobicContact CG2-CD1 3.68Å; V52-L259 HydrophobicContact CG1-CB 3.68Å; V52-L259 HydrophobicContact CG1-CD2 3.47Å; V52-L259 VanDerWaalsContact CG1-CD2 3.47Å; V52-L259 HydrophobicContact CG1-CG 4.16Å; F53-L259 HydrophobicContact CD1-CD1 3.95Å; F53-L259 HydrophobicContact CD2-CB 4.45Å; F53-L259 HydrophobicContact CD2-CD1 4.48Å; F53-L259 HydrophobicContact CE1-CD1 3.69Å; F53-L259 HydrophobicContact CE2-CB 3.91Å; F53-L259 HydrophobicContact CE2-CD1 4.25Å; F53-L259 HydrophobicContact CG-CD1 4.36Å; F53-L259 HydrophobicContact CZ-CB 4.08Å; F53-L259 HydrophobicContact CZ-CD1 3.86Å; A56-L259 HydrophobicContact CB-CD1 4.35Å; A56-L259 HydrophobicContact CB-CD2 3.95Å; A255-L259 PolarHBondContact O-N 3.36Å; R256-L259 PolarHBondContact O-N 3.24Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.11Å; L259-V262 PolarHBondContact O-N 3.19Å; L259-R263 HydrophobicContact CD1-CG 4.14Å; L259-R263 HydrophobicContact CG-CG 4.45Å; L259-R263 VanDerWaalsContact O-CG 3.26Å; L259-R263 WeakPolarHBondContact O-CG 3.41Å; L259-R263 PolarHBondContact O-N 3.25Å
260K96.7Very high96.8Very high119 Ų11957.5 Ų57.552%0.51727%0.273SS..Hα-helixtrans-59.7-42.8177-175.8178.3178.4-179.40111.9R256 A257 V258 V262 R263 L264R256-K260 WeakPolarHBondContact O-CB 3.49Å; R256-K260 PolarHBondContact O-N 3.49Å; A257-K260 PolarHBondContact O-N 3.47Å; V258-K260 VanDerWaalsContact C-N 3.31Å; V258-K260 PolarHBondContact O-N 2.88Å; K260-V262 VanDerWaalsContact C-N 3.34Å; K260-R263 PolarHBondContact O-N 2.93Å; K260-L264 HydrophobicContact CD-CD1 4.47Å; K260-L264 HydrophobicContact CG-CD1 3.86Å; K260-L264 HydrophobicContact CG-CG 4.45Å; K260-L264 WeakPolarHBondContact O-CB 3.47Å; K260-L264 WeakPolarHBondContact O-CG 3.48Å; K260-L264 PolarHBondContact O-N 3Å
261A97.3Very high96.7Very high3 Ų356.1 Ų56.13%0.02527%0.266CS..Hα-helixtrans-63.5-39.717800000112T215 I217 A257 V258 L259 L264 K265 S266 V269T215-A261 HydrophobicContact CG2-CB 4.11Å; I217-A261 HydrophobicContact CD1-CB 4.23Å; A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 2.92Å; V258-A261 WeakPolarHBondContact O-CB 3.49Å; V258-A261 PolarHBondContact O-N 3.32Å; V258-A261 VanDerWaalsContact O-N 3.12Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.11Å; A261-L264 PolarHBondContact O-N 3.27Å; A261-K265 WeakPolarHBondContact O-CA 3.24Å; A261-K265 PolarHBondContact O-N 3.42Å; A261-S266 PolarHBondContact O-N 2.7Å; A261-V269 HydrophobicContact CB-CG2 4.01Å
262V97.9Very high96.5Very high7 Ų756.1 Ų56.14%0.04227%0.267CS..Hα-helixtrans-60.1-52.7172.7170.70000110.8V31 F53 V120 V172 V258 L259 K260 L264 K265V31-V262 HydrophobicContact CG1-CG1 4.05Å; F53-V262 HydrophobicContact CE1-CB 4.36Å; F53-V262 HydrophobicContact CE1-CG1 4.25Å; F53-V262 HydrophobicContact CE1-CG2 4.28Å; F53-V262 HydrophobicContact CZ-CB 4.18Å; F53-V262 HydrophobicContact CZ-CG2 3.83Å; V120-V262 HydrophobicContact CG1-CG1 4.19Å; V120-V262 HydrophobicContact CG1-CG2 4.1Å; V120-V262 HydrophobicContact CG2-CG1 3.98Å; V172-V262 HydrophobicContact CG2-CG2 3.57Å; V258-V262 WeakPolarHBondContact O-CG2 3.35Å; V258-V262 PolarHBondContact O-N 3.15Å; L259-V262 PolarHBondContact O-N 3.19Å; K260-V262 VanDerWaalsContact C-N 3.34Å; V262-L264 VanDerWaalsContact C-N 3.26Å; V262-L264 PolarHBondContact O-N 3.33Å; V262-K265 PolarHBondContact O-N 2.96Å
263R96.3Very high96.2Very high97 Ų9751.3 Ų51.337%0.36626%0.256SS..Hα-helixtrans-60-35.8-178.7-65.2-177.765-170.7-3.8112.7G28 A29 V31 L259 K260G28-R263 CarbonylContact C-O 3.54Å; G28-R263 WeakPolarHBondContact CA-O 3.49Å; G28-R263 PolarHBondContact O-NH2 3.36Å; A29-R263 PolarHBondContact N-O 3.13Å; A29-R263 WeakPolarHBondContact O-CB 3.29Å; A29-R263 WeakPolarHBondContact O-CG 3.44Å; A29-R263 PolarHBondContact O-NE 3Å; V31-R263 HydrophobicContact CG1-CG 4.18Å; L259-R263 HydrophobicContact CD1-CG 4.14Å; L259-R263 HydrophobicContact CG-CG 4.45Å; L259-R263 VanDerWaalsContact O-CG 3.26Å; L259-R263 WeakPolarHBondContact O-CG 3.41Å; L259-R263 PolarHBondContact O-N 3.25Å; K260-R263 PolarHBondContact O-N 2.93Å
264L95.7Very high95.9Very high46 Ų4653.8 Ų53.824%0.24127%0.273CS..Hα-helixtrans-89.1-3.8179.8-65.7176.8000113.8R26 K260 A261 V262 S266R26-L264 HydrophobicContact CB-CD2 4.34Å; R26-L264 HydrophobicContact CG-CD2 4.45Å; K260-L264 HydrophobicContact CD-CD1 4.47Å; K260-L264 HydrophobicContact CG-CD1 3.86Å; K260-L264 HydrophobicContact CG-CG 4.45Å; K260-L264 WeakPolarHBondContact O-CB 3.47Å; K260-L264 WeakPolarHBondContact O-CG 3.48Å; K260-L264 PolarHBondContact O-N 3Å; A261-L264 PolarHBondContact O-N 3.27Å; V262-L264 VanDerWaalsContact C-N 3.26Å; V262-L264 PolarHBondContact O-N 3.33Å; L264-S266 PolarHBondContact O-N 2.85Å
265K95.9Very high95.6Very high119 Ų11960.4 Ų60.452%0.51730%0.304SS..THydrogen-bonded Turntrans50.841.3-172.4-60178.4171.1-168.80112.1P213 A261 V262P213-K265 HydrophobicContact CB-CB 4.16Å; P213-K265 HydrophobicContact CB-CG 4.39Å; P213-K265 HydrophobicContact CG-CB 4.17Å; P213-K265 HydrophobicContact CG-CD 3.65Å; P213-K265 HydrophobicContact CG-CG 3.94Å; A261-K265 WeakPolarHBondContact O-CA 3.24Å; A261-K265 PolarHBondContact O-N 3.42Å; V262-K265 PolarHBondContact O-N 2.96Å
266S95.9Very high95.3Very high36 Ų3661.6 Ų61.625%0.25231%0.312SS..  trans-60.8142.7-178.3-61.30000111T215 A261 L264 V269T215-S266 WeakPolarHBondContact CA-O 3.43Å; T215-S266 WeakPolarHBondContact CB-O 3.11Å; T215-S266 VanDerWaalsContact CG2-O 3.29Å; T215-S266 WeakPolarHBondContact CG2-O 3.46Å; T215-S266 PolarHBondContact OG1-O 3.37Å; A261-S266 PolarHBondContact O-N 2.7Å; L264-S266 PolarHBondContact O-N 2.85Å; S266-V269 VanDerWaalsContact CB-CG2 3.43Å
267K95.9Very high95.1Very high152 Ų15256.3 Ų56.366%0.66130%0.297SS*.SBendtrans-84.7-56-176.6-63.8-177.1179.7-178.40113R204 T215 V216R204-K267 PolarHBondContact NH2-O 2.93Å; T215-K267 WeakPolarHBondContact CA-O 3.12Å; V216-K267 PolarHBondContact N-O 3.35Å
268D96.3Very high95Very high77 Ų7759.6 Ų59.641%0.41231%0.314SS..EExtended strand (participates in β ladder)trans-132.8123.3-179.1-173.116.6000108.6K180K180-D268 WeakPolarHBondContact CE-OD1 3.35Å; K180-D268 WeakPolarHBondContact CE-OD2 3.22Å; K180-D268 IonicContact NZ-OD1 2.82Å; K180-D268 PolarHBondContact NZ-OD1 3Å; K180-D268 IonicContact NZ-OD2 3.88Å; K180-D268 PolarHBondContact NZ-OD2 3Å
269V97.1Very high94.9Very high25 Ų2560.6 Ų60.615%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-127.8105.7-172.2-173.70000109.6T215 V216 I217 S218 A261 S266 L271T215-V269 HydrophobicContact CG2-CG2 4.24Å; V216-V269 PolarHBondContact O-N 3.46Å; I217-V269 CarbonylContact C-O 3.31Å; I217-V269 WeakPolarHBondContact CA-O 3.34Å; I217-V269 HydrophobicContact CG1-CB 4.42Å; S218-V269 PolarHBondContact N-O 2.88Å; A261-V269 HydrophobicContact CB-CG2 4.01Å; S266-V269 VanDerWaalsContact CB-CG2 3.43Å; V269-L271 HydrophobicContact CG1-CD2 3.73Å; V269-L271 HydrophobicContact CG1-CG 3.88Å
270V96.6Very high94.8Very high55 Ų5560.7 Ų60.733%0.33332%0.322SS..EExtended strand (participates in β ladder)trans-87.5116172.6-1780000109.1V177 K180 A272 I280V177-V270 HydrophobicContact CG1-CG1 4.44Å; K180-V270 HydrophobicContact CD-CG2 4.29Å; V270-A272 HydrophobicContact CG1-CB 4.01Å; V270-I280 HydrophobicContact CG1-CD1 4.01Å; V270-I280 HydrophobicContact CG2-CD1 4.49Å
271L94.1Very high94.8Very high38 Ų3862.1 Ų62.120%0.19933%0.325CS..EExtended strand (participates in β ladder)trans-110.271.3177.9-62.3179.5000109.3I217 S218 P219 G220 V254 A257 V269I217-L271 HydrophobicContact CG2-CD1 3.6Å; I217-L271 HydrophobicContact CG2-CG 4.09Å; S218-L271 PolarHBondContact O-N 3.31Å; P219-L271 CarbonylContact C-O 3.57Å; P219-L271 WeakPolarHBondContact CA-O 3.41Å; P219-L271 HydrophobicContact CB-CB 4.44Å; G220-L271 PolarHBondContact N-O 2.62Å; V254-L271 HydrophobicContact CG1-CD1 3.98Å; A257-L271 HydrophobicContact CB-CD1 3.58Å; A257-L271 HydrophobicContact CB-CD2 3.93Å; A257-L271 HydrophobicContact CB-CG 4.44Å; V269-L271 HydrophobicContact CG1-CD2 3.73Å; V269-L271 HydrophobicContact CG1-CG 3.88Å
272A91.6Very high94.7Very high17 Ų1763.7 Ų63.714%0.1433%0.333CS..  trans-138.6159.7-176.300000111.8V177 V270 P276V177-A272 HydrophobicContact CG1-CB 3.53Å; V270-A272 HydrophobicContact CG1-CB 4.01Å; A272-P276 HydrophobicContact CB-CB 3.91Å; A272-P276 HydrophobicContact CB-CG 4.27Å
273G89.4Confident94.7Very high23 Ų2367.1 Ų67.124%0.23735%0.345CS..  trans-67.4176.5173.200000112.6Q275 P276 T277G273-Q275 VanDerWaalsContact C-N 3.3Å; G273-Q275 PolarHBondContact O-N 3.26Å; G273-P276 WeakPolarHBondContact O-CD 3.22Å; G273-T277 WeakPolarHBondContact O-CB 3.4Å; G273-T277 PolarHBondContact O-N 3.5Å; G273-T277 PolarHBondContact O-OG1 3.33Å
274P89.5Confident94.6Very high110 Ų11067.7 Ų67.771%0.71436%0.36SS*.Hα-helixtrans-56.7-42.2180-25.634.5000112.9T277 V278P274-T277 WeakPolarHBondContact O-CB 3.41Å; P274-T277 PolarHBondContact O-N 3.36Å; P274-V278 WeakPolarHBondContact O-CG2 3.17Å; P274-V278 PolarHBondContact O-N 3.13Å
275Q92Very high94.7Very high145 Ų14572.1 Ų72.168%0.67838%0.383SS*.Hα-helixtrans-63.4-54.6-175.1-179.6-137.6-12.900113.3G273 T277 V278 A279G273-Q275 VanDerWaalsContact C-N 3.3Å; G273-Q275 PolarHBondContact O-N 3.26Å; Q275-T277 PolarHBondContact O-N 3.41Å; Q275-V278 PolarHBondContact O-N 3.26Å; Q275-A279 PolarHBondContact O-N 2.64Å
276P92.2Very high94.8Very high25 Ų2573.9 Ų73.916%0.16239%0.387CS..Hα-helixtrans-60.9-33.3174.3-23.231.8000113.3V177 A272 G273 A279 I280V177-P276 HydrophobicContact CB-CB 4.47Å; V177-P276 HydrophobicContact CG1-CB 4.13Å; V177-P276 HydrophobicContact CG2-CB 4.47Å; A272-P276 HydrophobicContact CB-CB 3.91Å; A272-P276 HydrophobicContact CB-CG 4.27Å; G273-P276 WeakPolarHBondContact O-CD 3.22Å; P276-A279 PolarHBondContact O-N 2.55Å; P276-I280 WeakPolarHBondContact O-CG1 3.44Å; P276-I280 PolarHBondContact O-N 3.17Å
277T93.3Very high94.8Very high41 Ų4175 Ų7525%0.25239%0.393SS..Hα-helixtrans-64.8-47.7178.8-57.50000111.2G273 P274 Q275 A279 I280 Y281G273-T277 WeakPolarHBondContact O-CB 3.4Å; G273-T277 PolarHBondContact O-N 3.5Å; G273-T277 PolarHBondContact O-OG1 3.33Å; P274-T277 WeakPolarHBondContact O-CB 3.41Å; P274-T277 PolarHBondContact O-N 3.36Å; Q275-T277 PolarHBondContact O-N 3.41Å; T277-A279 VanDerWaalsContact C-N 3.28Å; T277-A279 PolarHBondContact O-N 3.34Å; T277-I280 WeakPolarHBondContact O-CB 3.3Å; T277-I280 PolarHBondContact O-N 3.16Å; T277-Y281 HydrophobicContact CG2-CD2 4.31Å; T277-Y281 HydrophobicContact CG2-CE2 3.87Å; T277-Y281 WeakPolarHBondContact O-CD2 3.16Å; T277-Y281 PolarHBondContact O-N 3.43Å
278V95.2Very high94.9Very high95 Ų9571.1 Ų71.158%0.57639%0.389SS*.Hα-helixtrans-61.1-39.7174.2171.20000110.8P274 Q275 I280 Y281 L282P274-V278 WeakPolarHBondContact O-CG2 3.17Å; P274-V278 PolarHBondContact O-N 3.13Å; Q275-V278 PolarHBondContact O-N 3.26Å; V278-I280 VanDerWaalsContact C-N 3.3Å; V278-I280 PolarHBondContact O-N 2.84Å; V278-Y281 PolarHBondContact O-N 3.4Å; V278-L282 VanDerWaalsContact O-CB 3.32Å; V278-L282 WeakPolarHBondContact O-CB 3.29Å; V278-L282 PolarHBondContact O-N 3.25Å
279A95.7Very high94.9Very high20 Ų2070.1 Ų70.117%0.16538%0.383CS..Hα-helixtrans-62.4-35.1178.200000113.1I181 Q275 P276 T277 L282 R283 F290I181-A279 HydrophobicContact CD1-CB 3.82Å; Q275-A279 PolarHBondContact O-N 2.64Å; P276-A279 PolarHBondContact O-N 2.55Å; T277-A279 VanDerWaalsContact C-N 3.28Å; T277-A279 PolarHBondContact O-N 3.34Å; A279-L282 PolarHBondContact O-N 2.94Å; A279-R283 PolarHBondContact O-N 3.19Å; A279-F290 HydrophobicContact CB-CE2 4.36Å
280I96.1Very high95Very high24 Ų2469 Ų6912%0.12338%0.377CS..Hα-helixtrans-60.6-50173.4-68.5162.2000110.5V177 K180 I181 V270 P276 T277 V278 R283 T284V177-I280 HydrophobicContact CB-CD1 4.47Å; V177-I280 HydrophobicContact CG1-CD1 4.27Å; K180-I280 HydrophobicContact CB-CD1 4.36Å; K180-I280 HydrophobicContact CB-CG1 4.09Å; K180-I280 HydrophobicContact CB-CG2 4.31Å; K180-I280 HydrophobicContact CD-CD1 4.18Å; K180-I280 HydrophobicContact CD-CG2 4.37Å; I181-I280 HydrophobicContact CG2-CB 4.25Å; I181-I280 HydrophobicContact CG2-CG1 3.84Å; V270-I280 HydrophobicContact CG1-CD1 4.01Å; V270-I280 HydrophobicContact CG2-CD1 4.49Å; P276-I280 WeakPolarHBondContact O-CG1 3.44Å; P276-I280 PolarHBondContact O-N 3.17Å; T277-I280 WeakPolarHBondContact O-CB 3.3Å; T277-I280 PolarHBondContact O-N 3.16Å; V278-I280 VanDerWaalsContact C-N 3.3Å; V278-I280 PolarHBondContact O-N 2.84Å; I280-R283 PolarHBondContact O-N 3.31Å; I280-T284 PolarHBondContact O-OG1 3.14Å
281Y95.9Very high95Very high149 Ų14971.8 Ų71.858%0.58438%0.384SS*.Hα-helixtrans-66.4-39.5177.6-68.2-69.8000112.2T277 V278 R283 T284 L285T277-Y281 HydrophobicContact CG2-CD2 4.31Å; T277-Y281 HydrophobicContact CG2-CE2 3.87Å; T277-Y281 WeakPolarHBondContact O-CD2 3.16Å; T277-Y281 PolarHBondContact O-N 3.43Å; V278-Y281 PolarHBondContact O-N 3.4Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 2.94Å; Y281-T284 PolarHBondContact O-N 2.85Å; Y281-T284 VanDerWaalsContact O-N 3.13Å; Y281-L285 WeakPolarHBondContact O-CB 3.36Å; Y281-L285 WeakPolarHBondContact O-CG 3.41Å; Y281-L285 PolarHBondContact O-N 3.07Å
282L96.6Very high95.1Very high36 Ų3677.5 Ų77.519%0.18841%0.407CS..Hα-helixtrans-62.7-39.8180-173.868.6000111.9V278 A279 T284 W286 L289 F290 L293V278-L282 VanDerWaalsContact O-CB 3.32Å; V278-L282 WeakPolarHBondContact O-CB 3.29Å; V278-L282 PolarHBondContact O-N 3.25Å; A279-L282 PolarHBondContact O-N 2.94Å; L282-T284 VanDerWaalsContact C-N 3.25Å; L282-T284 PolarHBondContact O-N 2.9Å; L282-W286 HydrophobicContact CD1-CB 3.92Å; L282-W286 CarbonylContact O-C 3.59Å; L282-W286 WeakPolarHBondContact O-CA 3.5Å; L282-W286 PolarHBondContact O-N 3.34Å; L282-L289 HydrophobicContact CD1-CB 4.45Å; L282-L289 HydrophobicContact CD1-CD2 4Å; L282-L289 HydrophobicContact CD1-CG 4.32Å; L282-L289 HydrophobicContact CD2-CG 4.39Å; L282-F290 HydrophobicContact CD2-CB 4.26Å; L282-F290 HydrophobicContact CD2-CD2 4.49Å; L282-F290 HydrophobicContact CG-CB 4.08Å; L282-L293 HydrophobicContact CD2-CD1 3.66Å
283R96.5Very high95.4Very high79 Ų7980.8 Ų80.830%0.29842%0.422SS..Hα-helixtrans-57-41.1174.3176.2179.6172.978.4-2.8111.8K180 I181 A279 I280 Y281 F290K180-R283 VanDerWaalsContact O-CD 3.24Å; K180-R283 WeakPolarHBondContact O-CD 3.5Å; K180-R283 PolarHBondContact O-NE 3.27Å; I181-R283 HydrophobicContact CG2-CB 3.98Å; I181-R283 HydrophobicContact CG2-CG 4.5Å; A279-R283 PolarHBondContact O-N 3.19Å; I280-R283 PolarHBondContact O-N 3.31Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 2.94Å; R283-F290 HydrophobicContact CB-CD1 4.14Å; R283-F290 HydrophobicContact CB-CD2 3.95Å; R283-F290 HydrophobicContact CB-CE1 4.34Å; R283-F290 HydrophobicContact CB-CE2 4.15Å; R283-F290 HydrophobicContact CB-CG 3.95Å; R283-F290 HydrophobicContact CB-CZ 4.35Å; R283-F290 HydrophobicContact CG-CD1 4.22Å; R283-F290 HydrophobicContact CG-CE1 4.29Å
284T95.5Very high95.7Very high110 Ų11081.3 Ų81.368%0.67542%0.419SS*.Hα-helixtrans-80.4-44.8-177.5-53.90000112.4I280 Y281 L282I280-T284 PolarHBondContact O-OG1 3.14Å; Y281-T284 PolarHBondContact O-N 2.85Å; Y281-T284 VanDerWaalsContact O-N 3.13Å; L282-T284 VanDerWaalsContact C-N 3.25Å; L282-T284 PolarHBondContact O-N 2.9Å
285L97.7Very high96Very high138 Ų13878.9 Ų78.972%0.72341%0.408SS*.Hα-helixtrans-87.5-29.5-171.1-61.3176.3000113.2Y281Y281-L285 WeakPolarHBondContact O-CB 3.36Å; Y281-L285 WeakPolarHBondContact O-CG 3.41Å; Y281-L285 PolarHBondContact O-N 3.07Å
286W97.5Very high96.1Very high157 Ų15775.7 Ų75.760%0.59540%0.402SS*.  trans-145.869.9-179.9-163.2-5.3000112L282 A288 L289 F290L282-W286 HydrophobicContact CD1-CB 3.92Å; L282-W286 CarbonylContact O-C 3.59Å; L282-W286 WeakPolarHBondContact O-CA 3.5Å; L282-W286 PolarHBondContact O-N 3.34Å; W286-A288 VanDerWaalsContact C-N 3.3Å; W286-A288 PolarHBondContact O-N 3.11Å; W286-L289 HydrophobicContact CB-CB 4.4Å; W286-L289 HydrophobicContact CD2-CB 3.73Å; W286-L289 HydrophobicContact CD2-CD2 3.97Å; W286-L289 HydrophobicContact CE3-CB 4.33Å; W286-L289 HydrophobicContact CE3-CD2 3.68Å; W286-L289 HydrophobicContact CG-CB 3.73Å; W286-L289 HydrophobicContact CH2-CD2 4.35Å; W286-L289 HydrophobicContact CZ3-CD2 3.89Å; W286-L289 PolarHBondContact O-N 3.05Å; W286-L289 VanDerWaalsContact O-N 3.15Å; W286-F290 PolarHBondContact O-N 3.09Å; W286-F290 VanDerWaalsContact O-N 3.12Å
287P96.9Very high96.2Very high59 Ų5978.3 Ų78.338%0.38341%0.408SS..Hα-helixtrans-58.7-37.3-173.320.4-32.6000113.4L289 F290 F291P287-L289 PolarHBondContact O-N 3.34Å; P287-F290 PolarHBondContact O-N 2.94Å; P287-F291 HydrophobicContact CB-CD2 4.27Å; P287-F291 HydrophobicContact CB-CE2 3.82Å; P287-F291 WeakPolarHBondContact O-CD2 3.19Å; P287-F291 VanDerWaalsContact O-CG 3.31Å; P287-F291 WeakPolarHBondContact O-CG 3.48Å; P287-F291 PolarHBondContact O-N 3.43Å
288A97.5Very high96.2Very high70 Ų7077.6 Ų77.658%0.57941%0.407SS*.Hα-helixtrans-58.4-44.7178.100000112.5W286 K292W286-A288 VanDerWaalsContact C-N 3.3Å; W286-A288 PolarHBondContact O-N 3.11Å; A288-K292 PolarHBondContact O-N 3.34Å; A288-K292 VanDerWaalsContact O-N 3.09Å
289L97.1Very high96Very high56 Ų5676.6 Ų76.629%0.29340%0.403SS..Hα-helixtrans-68.2-43.7176.6179.656.7000111.1L282 W286 P287 F291 K292 L293L282-L289 HydrophobicContact CD1-CB 4.45Å; L282-L289 HydrophobicContact CD1-CD2 4Å; L282-L289 HydrophobicContact CD1-CG 4.32Å; L282-L289 HydrophobicContact CD2-CG 4.39Å; W286-L289 HydrophobicContact CB-CB 4.4Å; W286-L289 HydrophobicContact CD2-CB 3.73Å; W286-L289 HydrophobicContact CD2-CD2 3.97Å; W286-L289 HydrophobicContact CE3-CB 4.33Å; W286-L289 HydrophobicContact CE3-CD2 3.68Å; W286-L289 HydrophobicContact CG-CB 3.73Å; W286-L289 HydrophobicContact CH2-CD2 4.35Å; W286-L289 HydrophobicContact CZ3-CD2 3.89Å; W286-L289 PolarHBondContact O-N 3.05Å; W286-L289 VanDerWaalsContact O-N 3.15Å; P287-L289 PolarHBondContact O-N 3.34Å; L289-F291 VanDerWaalsContact C-N 3.34Å; L289-F291 PolarHBondContact O-N 2.94Å; L289-K292 PolarHBondContact O-N 3.41Å; L289-L293 HydrophobicContact CD1-CG 4.29Å; L289-L293 HydrophobicContact CG-CD1 4.36Å; L289-L293 WeakPolarHBondContact O-CG 3.47Å; L289-L293 PolarHBondContact O-N 3.31Å
290F97.4Very high95.7Very high3 Ų381.8 Ų81.81%0.01342%0.422CS..Hα-helixtrans-54.8-49.5175.6176.7-95000111.7I181 A279 L282 R283 W286 P287 K292 L293 M294I181-F290 HydrophobicContact CB-CE2 4.31Å; I181-F290 HydrophobicContact CB-CZ 4.04Å; I181-F290 HydrophobicContact CG2-CE2 4.22Å; I181-F290 HydrophobicContact CG2-CZ 4.32Å; A279-F290 HydrophobicContact CB-CE2 4.36Å; L282-F290 HydrophobicContact CD2-CB 4.26Å; L282-F290 HydrophobicContact CD2-CD2 4.49Å; L282-F290 HydrophobicContact CG-CB 4.08Å; R283-F290 HydrophobicContact CB-CD1 4.14Å; R283-F290 HydrophobicContact CB-CD2 3.95Å; R283-F290 HydrophobicContact CB-CE1 4.34Å; R283-F290 HydrophobicContact CB-CE2 4.15Å; R283-F290 HydrophobicContact CB-CG 3.95Å; R283-F290 HydrophobicContact CB-CZ 4.35Å; R283-F290 HydrophobicContact CG-CD1 4.22Å; R283-F290 HydrophobicContact CG-CE1 4.29Å; W286-F290 PolarHBondContact O-N 3.09Å; W286-F290 VanDerWaalsContact O-N 3.12Å; P287-F290 PolarHBondContact O-N 2.94Å; F290-K292 PolarHBondContact O-N 3.37Å; F290-L293 PolarHBondContact O-N 3.37Å; F290-M294 HydrophobicContact CD1-CG 4.12Å; F290-M294 HydrophobicContact CE1-CG 3.61Å; F290-M294 HydrophobicContact CE2-CE 4.23Å; F290-M294 HydrophobicContact CE2-CG 4.16Å; F290-M294 HydrophobicContact CE2-SD 4.28Å; F290-M294 HydrophobicContact CZ-CE 4.5Å; F290-M294 HydrophobicContact CZ-CG 3.62Å; F290-M294 HydrophobicContact CZ-SD 3.97Å; F290-M294 WeakPolarHBondContact O-CG 3.38Å; F290-M294 PolarHBondContact O-N 3.25Å
291F97.3Very high95.2Very high112 Ų11283.1 Ų83.149%0.49143%0.428SS..Hα-helixtrans-66.5-36.6-179.2-63.9-44.5000112.6P287 L289 L293 M294 A295P287-F291 HydrophobicContact CB-CD2 4.27Å; P287-F291 HydrophobicContact CB-CE2 3.82Å; P287-F291 WeakPolarHBondContact O-CD2 3.19Å; P287-F291 VanDerWaalsContact O-CG 3.31Å; P287-F291 WeakPolarHBondContact O-CG 3.48Å; P287-F291 PolarHBondContact O-N 3.43Å; L289-F291 VanDerWaalsContact C-N 3.34Å; L289-F291 PolarHBondContact O-N 2.94Å; F291-L293 PolarHBondContact O-N 3.29Å; F291-M294 PolarHBondContact O-N 3.1Å; F291-A295 WeakPolarHBondContact O-CB 3.42Å; F291-A295 PolarHBondContact O-N 3.19Å
292K97Very high94.5Very high158 Ų15879.1 Ų79.169%0.68741%0.414SS*.Hα-helixtrans-60.7-43.2172.3-170.6177.2-177.3177.60112A288 L289 F290 A295 S296A288-K292 PolarHBondContact O-N 3.34Å; A288-K292 VanDerWaalsContact O-N 3.09Å; L289-K292 PolarHBondContact O-N 3.41Å; F290-K292 PolarHBondContact O-N 3.37Å; K292-A295 PolarHBondContact O-N 2.9Å; K292-S296 PolarHBondContact O-N 3.21Å
293L96.6Very high93.5Very high86 Ų8685.8 Ų85.845%0.4544%0.437SS..Hα-helixtrans-65.6-38.3175.9-67.1175.6000112.1L282 L289 F290 F291 S296 R297L282-L293 HydrophobicContact CD2-CD1 3.66Å; L289-L293 HydrophobicContact CD1-CG 4.29Å; L289-L293 HydrophobicContact CG-CD1 4.36Å; L289-L293 WeakPolarHBondContact O-CG 3.47Å; L289-L293 PolarHBondContact O-N 3.31Å; F290-L293 PolarHBondContact O-N 3.37Å; F291-L293 PolarHBondContact O-N 3.29Å; L293-S296 PolarHBondContact O-N 3.22Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 PolarHBondContact O-N 3.47Å
294M96.6Very high92.4Very high35 Ų3590 Ų9017%0.17245%0.453CS..Hα-helixtrans-67.9-39.5176.8-68.8-53.597.800112.2I183 P184 F290 F291 R297 A298I183-M294 HydrophobicContact CB-SD 4.44Å; I183-M294 HydrophobicContact CG2-SD 4.04Å; P184-M294 WeakPolarHBondContact CG-O 3.35Å; F290-M294 HydrophobicContact CD1-CG 4.12Å; F290-M294 HydrophobicContact CE1-CG 3.61Å; F290-M294 HydrophobicContact CE2-CE 4.23Å; F290-M294 HydrophobicContact CE2-CG 4.16Å; F290-M294 HydrophobicContact CE2-SD 4.28Å; F290-M294 HydrophobicContact CZ-CE 4.5Å; F290-M294 HydrophobicContact CZ-CG 3.62Å; F290-M294 HydrophobicContact CZ-SD 3.97Å; F290-M294 WeakPolarHBondContact O-CG 3.38Å; F290-M294 PolarHBondContact O-N 3.25Å; F291-M294 PolarHBondContact O-N 3.1Å; M294-R297 PolarHBondContact O-N 3.32Å; M294-A298 PolarHBondContact O-N 2.87Å
295A95.7Very high91.1Very high58 Ų5890.3 Ų90.348%0.47945%0.445SS..Hα-helixtrans-62-47.1173.400000111.4F291 K292 R297 A298 C299F291-A295 WeakPolarHBondContact O-CB 3.42Å; F291-A295 PolarHBondContact O-N 3.19Å; K292-A295 PolarHBondContact O-N 2.9Å; A295-R297 VanDerWaalsContact C-N 3.31Å; A295-R297 PolarHBondContact O-N 3.19Å; A295-A298 WeakPolarHBondContact O-CB 3.43Å; A295-A298 PolarHBondContact O-N 3.28Å; A295-A298 VanDerWaalsContact O-N 3.14Å; A295-C299 PolarHBondContact O-N 3.17Å; A295-C299 PolarHBondContact O-SG 2.85Å
296S94.9Very high89.6Confident78 Ų7889.3 Ų89.355%0.54544%0.44SS..Hα-helixtrans-59.6-41175.4179.40000112.3K292 L293 C299 K300K292-S296 PolarHBondContact O-N 3.21Å; L293-S296 PolarHBondContact O-N 3.22Å; S296-C299 PolarHBondContact O-N 2.87Å; S296-K300 PolarHBondContact O-N 2.79Å; S296-K300 VanDerWaalsContact O-N 3.1Å
297R93.9Very high87.5Confident80 Ų8091.7 Ų91.730%0.30246%0.458SS..Hα-helixtrans-61.4-43.6174.7179.7177.6176142.31.1111.9P184 L293 M294 A295 K300 E301P184-R297 HydrophobicContact CG-CG 4.49Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 PolarHBondContact O-N 3.47Å; M294-R297 PolarHBondContact O-N 3.32Å; A295-R297 VanDerWaalsContact C-N 3.31Å; A295-R297 PolarHBondContact O-N 3.19Å; R297-K300 PolarHBondContact O-N 3.16Å; R297-E301 PolarHBondContact O-N 3.3Å; R297-E301 VanDerWaalsContact O-N 3.07Å
298A93.3Very high87.1Confident26 Ų2693.3 Ų93.322%0.21546%0.462CS..Hα-helixtrans-59.5-49.5177.600000111.1P184 Y185 M294 A295 K300 E301 Q302P184-A298 HydrophobicContact CB-CB 3.89Å; P184-A298 HydrophobicContact CG-CB 3.78Å; Y185-A298 HydrophobicContact CE2-CB 4.48Å; Y185-A298 PolarHBondContact OH-O 3.21Å; M294-A298 PolarHBondContact O-N 2.87Å; A295-A298 WeakPolarHBondContact O-CB 3.43Å; A295-A298 PolarHBondContact O-N 3.28Å; A295-A298 VanDerWaalsContact O-N 3.14Å; A298-K300 VanDerWaalsContact C-N 3.31Å; A298-K300 PolarHBondContact O-N 2.87Å; A298-E301 PolarHBondContact O-N 2.76Å; A298-Q302 PolarHBondContact O-N 3.36Å
299C91.3Very high86.5Confident75 Ų7594.5 Ų94.551%0.50746%0.456SS..Hα-helixtrans-58.1-41177.7-63.50000112.8A295 S296 R303A295-C299 PolarHBondContact O-N 3.17Å; A295-C299 PolarHBondContact O-SG 2.85Å; S296-C299 PolarHBondContact O-N 2.87Å; C299-R303 WeakPolarHBondContact O-CG 3.18Å; C299-R303 PolarHBondContact O-N 3.13Å; C299-R303 VanDerWaalsContact O-N 3.14Å
300K88.6Confident85.9Confident129 Ų12996.7 Ų96.756%0.56147%0.465SS*.Hα-helixtrans-68.2-35.9179.6-172.6174.4-176171.90112.8S296 R297 A298 R304S296-K300 PolarHBondContact O-N 2.79Å; S296-K300 VanDerWaalsContact O-N 3.1Å; R297-K300 PolarHBondContact O-N 3.16Å; A298-K300 VanDerWaalsContact C-N 3.31Å; A298-K300 PolarHBondContact O-N 2.87Å; K300-R304 WeakPolarHBondContact O-CG 3.47Å
301E84.9Confident85.2Confident51 Ų51102.2 Ų102.224%0.23849%0.491CS..Hα-helixtrans-77.5-32179.2-172.7169.2170.100111.7Y185 R297 A298Y185-E301 HydrophobicContact CD2-CB 4.34Å; Y185-E301 VanDerWaalsContact CD2-CD 3.45Å; Y185-E301 HydrophobicContact CD2-CG 3.97Å; Y185-E301 HydrophobicContact CE2-CB 3.81Å; Y185-E301 HydrophobicContact CE2-CG 3.85Å; R297-E301 PolarHBondContact O-N 3.3Å; R297-E301 VanDerWaalsContact O-N 3.07Å; A298-E301 PolarHBondContact O-N 2.76Å
302Q82.3Confident84.5Confident65 Ų65101.6 Ų101.630%0.30449%0.491SS..Hα-helixtrans-62.7-51.9170.9-168.661.12800111.8Y185 A298 R304 K305 D306Y185-Q302 WeakPolarHBondContact OH-CB 3.49Å; Y185-Q302 PolarHBondContact OH-OE1 3.3Å; A298-Q302 PolarHBondContact O-N 3.36Å; Q302-R304 PolarHBondContact O-N 2.94Å; Q302-R304 VanDerWaalsContact O-N 3.13Å; Q302-K305 WeakPolarHBondContact O-CB 3.05Å; Q302-K305 PolarHBondContact O-N 2.6Å; Q302-D306 PolarHBondContact NE2-OD1 2.93Å; Q302-D306 PolarHBondContact O-N 3.22Å
303R75.1Confident83.7Confident176 Ų17697.8 Ų97.866%0.66448%0.478SS*.Hα-helixtrans-54.5-37.7-179.7-73.3178.2-177.9-172.5-0.4113.2C299 K305 D306 E307C299-R303 WeakPolarHBondContact O-CG 3.18Å; C299-R303 PolarHBondContact O-N 3.13Å; C299-R303 VanDerWaalsContact O-N 3.14Å; R303-K305 VanDerWaalsContact C-N 3.26Å; R303-K305 PolarHBondContact O-N 2.78Å; R303-D306 PolarHBondContact O-N 2.99Å; R303-E307 WeakPolarHBondContact O-CG 3.21Å; R303-E307 PolarHBondContact O-N 3.4Å; R303-E307 VanDerWaalsContact O-N 3.16Å
304R73.2Confident82.7Confident167 Ų16798.6 Ų98.663%0.6348%0.48SS*.Hα-helixtrans-70.6-15.8177.4-74.3176171.1-170-5.2115K300 Q302K300-R304 WeakPolarHBondContact O-CG 3.47Å; Q302-R304 PolarHBondContact O-N 2.94Å; Q302-R304 VanDerWaalsContact O-N 3.13Å
305K67.8Low81.7Confident117 Ų117103.5 Ų103.551%0.50950%0.504SS..Hα-helixtrans-92.1-25174.7-71.3177.3175.2-179.10111.8Q302 R303Q302-K305 WeakPolarHBondContact O-CB 3.05Å; Q302-K305 PolarHBondContact O-N 2.6Å; R303-K305 VanDerWaalsContact C-N 3.26Å; R303-K305 PolarHBondContact O-N 2.78Å
306D66.9Low80.5Confident118 Ų118107.3 Ų107.363%0.63151%0.506SS*.Hα-helixtrans-85.5-16.6178.3-53.2-24.3000111.8Q302 R303Q302-D306 PolarHBondContact NE2-OD1 2.93Å; Q302-D306 PolarHBondContact O-N 3.22Å; R303-D306 PolarHBondContact O-N 2.99Å
307E53.9Low79.2Confident206 Ų206110 Ų11096%0.96350%0.502SS*.  trans-86.70170.1-72.9168.3-170.800112.2R303R303-E307 WeakPolarHBondContact O-CG 3.21Å; R303-E307 PolarHBondContact O-N 3.4Å; R303-E307 VanDerWaalsContact O-N 3.16Å

Retrieved 307 of 307 residues in 100 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).