A0A096MKN1_PAPAN Loading...

Phosphoglycerate kinase

AlphaFold DB , UniProt , Accession A0A096MKN1, Species PAPAN (Papio anubis, Olive baboon), Gene PGK2, Length 417 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
1M66Low90.6Very high90 Ų9050.7 Ų50.744%0.44326%0.258SS..  0138.40-174.8-156.2-45.200108.3K6 I407 V411 E412M1-K6 WeakPolarHBondContact SD-CE 3.43Å; M1-I407 HydrophobicContact CE-CB 4.3Å; M1-I407 HydrophobicContact CE-CG1 4.36Å; M1-I407 HydrophobicContact CE-CG2 3.37Å; M1-V411 HydrophobicContact SD-CB 4.38Å; M1-V411 HydrophobicContact SD-CG1 3.8Å; M1-E412 HydrophobicContact CE-CB 3.34Å; M1-E412 VanDerWaalsContact CE-CD 3.48Å; M1-E412 HydrophobicContact CE-CG 3.87Å; M1-E412 WeakPolarHBondContact CE-OE2 3.46Å; M1-E412 WeakPolarHBondContact CG-OE2 3.44Å; M1-E412 HydrophobicContact SD-CB 4.32Å
2S83.6Confident91.2Very high35 Ų3547.5 Ų47.525%0.24524%0.241CC..  trans-86.5131172-178.50000110.6S4 E202S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact OG-N 3.29Å; S2-E202 WeakPolarHBondContact CA-OE1 3.42Å; S2-E202 WeakPolarHBondContact CB-OE1 3.29Å; S2-E202 PolarHBondContact OG-OE1 3.41Å
3L87.6Confident91.7Very high14 Ų1452.4 Ų52.47%0.07327%0.268CS..SBendtrans-72.4-30.6172.8-59.7177.1000111K5 L194 F197 A198 L201 E202 L402 V411L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 3.43Å; L3-L194 HydrophobicContact CB-CD2 4.44Å; L3-L194 HydrophobicContact CD2-CD2 3.88Å; L3-F197 HydrophobicContact CD1-CB 3.93Å; L3-A198 HydrophobicContact CB-CB 3.99Å; L3-L201 HydrophobicContact CD1-CD1 4.25Å; L3-E202 PolarHBondContact N-OE1 2.7Å; L3-L402 HydrophobicContact CD1-CD1 4.24Å; L3-L402 HydrophobicContact CD1-CD2 4.17Å; L3-L402 HydrophobicContact CD2-CD1 3.97Å; L3-L402 HydrophobicContact CD2-CD2 4.48Å; L3-V411 HydrophobicContact CD2-CG1 4.39Å
4S85.2Confident92.2Very high56 Ų5648.9 Ų48.939%0.39225%0.251SS..THydrogen-bonded Turntrans-79.3-6.8-174.4-55.20000115.1S2 A198 E202 M417S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact OG-N 3.29Å; S4-A198 VanDerWaalsContact OG-CB 3.32Å; S4-A198 WeakPolarHBondContact OG-CB 3.4Å; S4-E202 WeakPolarHBondContact CB-OE2 3.45Å; S4-E202 PolarHBondContact OG-OE2 2.92Å; S4-M417 VanDerWaalsContact O-CE 3.26Å; S4-M417 WeakPolarHBondContact O-CE 3.19Å
5K90.6Very high92.6Very high136 Ų13658.2 Ų58.259%0.59128%0.281SS*.THydrogen-bonded Turntrans-110.911.3-170.9-66.3-172.3-179.6-173.90114.7L3 N416 M417L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 3.43Å; K5-N416 CarbonylContact O-C 3.53Å; K5-N416 VanDerWaalsContact O-CA 3.31Å; K5-N416 WeakPolarHBondContact O-CA 3.42Å; K5-M417 PolarHBondContact O-N 2.9Å
6K95.9Very high93Very high5 Ų557.5 Ų57.52%0.02229%0.294CS..BIsolated β-bridgetrans-84.6144.9-180-61.6-55-172.3173.60111.3M1 L194 V411 E412 L414 N416 M417M1-K6 WeakPolarHBondContact SD-CE 3.43Å; K6-L194 HydrophobicContact CB-CD1 4.26Å; K6-L194 HydrophobicContact CG-CD1 4.42Å; K6-V411 WeakPolarHBondContact CE-O 3.45Å; K6-V411 HydrophobicContact CG-CG1 4.22Å; K6-E412 PolarHBondContact NZ-O 2.9Å; K6-E412 IonicContact NZ-OE2 3.11Å; K6-E412 PolarHBondContact NZ-OE2 2.96Å; K6-L414 HydrophobicContact CB-CB 4.29Å; K6-L414 HydrophobicContact CB-CD1 4.24Å; K6-L414 HydrophobicContact CD-CB 4.02Å; K6-L414 HydrophobicContact CG-CB 4.31Å; K6-L414 HydrophobicContact CG-CD1 4.44Å; K6-L414 PolarHBondContact NZ-O 2.93Å; K6-N416 WeakPolarHBondContact CD-OD1 3.5Å; K6-N416 PolarHBondContact NZ-OD1 2.77Å; K6-M417 WeakPolarHBondContact O-CG 3.38Å
7L97.6Very high93.3Very high19 Ų1959.1 Ų59.110%0.09930%0.299CS..  trans-60.9137.2173.4-178.165.1000109.4K11 L12 H183 A185 S186 S415L7-K11 HydrophobicContact CD1-CB 3.99Å; L7-L12 HydrophobicContact CD2-CD1 4.32Å; L7-H183 HydrophobicContact CD2-CB 4.33Å; L7-A185 HydrophobicContact CB-CB 4.48Å; L7-A185 HydrophobicContact CD2-CB 4.1Å; L7-A185 HydrophobicContact CG-CB 3.92Å; L7-A185 CarbonylContact O-C 3.49Å; L7-A185 WeakPolarHBondContact O-CA 3.5Å; L7-S186 PolarHBondContact O-N 3.45Å; L7-S186 PolarHBondContact O-OG 3.24Å; L7-S415 WeakPolarHBondContact CB-O 3.39Å; L7-S415 PolarHBondContact N-O 3.43Å
8T97.8Very high93.6Very high11 Ų1157.7 Ų57.77%0.06729%0.289CS..BIsolated β-bridgetrans-120.8154.5-178.1580000110.3D10 K11 L12 S186 K191T8-D10 WeakPolarHBondContact CB-OD1 3.37Å; T8-D10 PolarHBondContact O-N 3.47Å; T8-D10 PolarHBondContact OG1-OD1 2.69Å; T8-K11 PolarHBondContact O-N 3.34Å; T8-L12 PolarHBondContact O-N 3.48Å; T8-S186 CarbonylContact C-O 3.59Å; T8-S186 WeakPolarHBondContact CG2-OG 3.37Å; T8-K191 HydrophobicContact CG2-CB 4.18Å; T8-K191 HydrophobicContact CG2-CD 3.72Å; T8-K191 HydrophobicContact CG2-CG 3.69Å
9L98.3Very high93.9Very high0 Ų054.7 Ų54.70%027%0.274CS..G310 helixtrans-57.7-33.7-176.1179.958.2000113.2K11 L12 V14 Y49 V162 S186 F188L9-K11 PolarHBondContact O-N 3.45Å; L9-L12 HydrophobicContact CD1-CD2 4.22Å; L9-L12 PolarHBondContact O-N 2.83Å; L9-V14 HydrophobicContact CD1-CG1 4.03Å; L9-Y49 HydrophobicContact CD1-CD1 4.2Å; L9-Y49 HydrophobicContact CD1-CE1 4.35Å; L9-Y49 HydrophobicContact CD2-CD1 3.92Å; L9-Y49 HydrophobicContact CG-CD1 3.66Å; L9-Y49 HydrophobicContact CG-CE1 3.95Å; L9-Y49 WeakPolarHBondContact O-CE1 3.27Å; L9-V162 HydrophobicContact CD1-CG2 3.84Å; L9-S186 WeakPolarHBondContact CB-O 3.27Å; L9-S186 PolarHBondContact N-O 3.39Å; L9-F188 HydrophobicContact CD2-CD2 4.44Å; L9-F188 HydrophobicContact CD2-CE2 4.23Å
10D96.8Very high94.2Very high66 Ų6652 Ų5235%0.35326%0.26SS..G310 helixtrans-64.6-14.5174.554.3-56.3000114T8 F188T8-D10 WeakPolarHBondContact CB-OD1 3.37Å; T8-D10 PolarHBondContact O-N 3.47Å; T8-D10 PolarHBondContact OG1-OD1 2.69Å; D10-F188 HydrophobicContact CB-CE1 4.06Å
11K97.3Very high94.4Very high126 Ų12649.5 Ų49.555%0.54825%0.248SC..G310 helixtrans-112.46.9178.2-61.1-179.1-178.5-178.10113L7 T8 L9 M417L7-K11 HydrophobicContact CD1-CB 3.99Å; T8-K11 PolarHBondContact O-N 3.34Å; L9-K11 PolarHBondContact O-N 3.45Å; K11-M417 HydrophobicContact CD-CG 4.49Å; K11-M417 HydrophobicContact CD-SD 3.62Å; K11-M417 PolarHBondContact NZ-SD 2.99Å
12L97.7Very high95.9Very high12 Ų1245.2 Ų45.26%0.06323%0.227CC..SBendtrans-102.9127179.8-18066.9000109.8L7 T8 L9 V14 V160 V162 H183 A185L7-L12 HydrophobicContact CD2-CD1 4.32Å; T8-L12 PolarHBondContact O-N 3.48Å; L9-L12 HydrophobicContact CD1-CD2 4.22Å; L9-L12 PolarHBondContact O-N 2.83Å; L12-V14 HydrophobicContact CD2-CG1 4.17Å; L12-V14 HydrophobicContact CG-CG1 4.18Å; L12-V14 PolarHBondContact O-N 3.16Å; L12-V160 HydrophobicContact CD1-CB 4.35Å; L12-V160 HydrophobicContact CD1-CG1 4.13Å; L12-V160 HydrophobicContact CD2-CB 4.03Å; L12-V160 HydrophobicContact CD2-CG2 3.94Å; L12-V162 HydrophobicContact CD2-CG2 3.96Å; L12-H183 HydrophobicContact CD1-CB 3.57Å; L12-A185 HydrophobicContact CB-CB 4.28Å; L12-A185 HydrophobicContact CD2-CB 3.84Å
13D97.8Very high96.7Very high111 Ų11143.5 Ų43.559%0.59422%0.215SC*.  trans-74.5115.6170.3-179.119000110.4R15D13-R15 WeakPolarHBondContact OD1-CB 3.42Å; D13-R15 PolarHBondContact OD1-N 3.42Å
14V98.6Very high97.1Very high3 Ų343.5 Ų43.52%0.01822%0.215CC..  trans-108.1-5.5179.9-62.30000112.6L9 L12 G16 K17 V19 N53 A55L9-V14 HydrophobicContact CD1-CG1 4.03Å; L12-V14 HydrophobicContact CD2-CG1 4.17Å; L12-V14 HydrophobicContact CG-CG1 4.18Å; L12-V14 PolarHBondContact O-N 3.16Å; V14-G16 PolarHBondContact O-N 2.95Å; V14-K17 WeakPolarHBondContact O-CB 3.49Å; V14-K17 PolarHBondContact O-N 3.19Å; V14-V19 HydrophobicContact CB-CG2 4.12Å; V14-V19 HydrophobicContact CG1-CG2 3.99Å; V14-N53 HydrophobicContact CG2-CB 3.63Å; V14-A55 HydrophobicContact CB-CB 4.36Å; V14-A55 VanDerWaalsContact O-CA 3.28Å; V14-A55 WeakPolarHBondContact O-CA 3.04Å
15R98.6Very high97.7Very high189 Ų18940.9 Ų40.971%0.71320%0.196SC*.THydrogen-bonded Turntrans-64.2123.8-171.5-174178.1-66-178.21.1111.1D13 K17D13-R15 WeakPolarHBondContact OD1-CB 3.42Å; D13-R15 PolarHBondContact OD1-N 3.42Å; R15-K17 PolarHBondContact O-N 3.39Å; R15-K17 VanDerWaalsContact O-N 3.13Å
16G98.4Very high97.9Very high47 Ų4737 Ų3749%0.48518%0.183SC..THydrogen-bonded Turntrans67.43.5-176.700000114.6V14 G54 K56V14-G16 PolarHBondContact O-N 2.95Å; G16-G54 PolarHBondContact N-O 3.23Å; G16-K56 WeakPolarHBondContact O-CB 3.48Å
17K98.8Very high97.8Very high85 Ų8537 Ų3737%0.3718%0.183SC..  trans-90.5151.9-180-56.1-61.3-177.2176.40111.6V14 R15 K56 D159 V160V14-K17 WeakPolarHBondContact O-CB 3.49Å; V14-K17 PolarHBondContact O-N 3.19Å; R15-K17 PolarHBondContact O-N 3.39Å; R15-K17 VanDerWaalsContact O-N 3.13Å; K17-K56 WeakPolarHBondContact O-CB 3.48Å; K17-K56 PolarHBondContact O-N 3.38Å; K17-D159 HydrophobicContact CB-CB 4.36Å; K17-D159 HydrophobicContact CD-CB 4.16Å; K17-V160 HydrophobicContact CB-CG2 4.42Å
18R98.8Very high97.3Very high34 Ų3439.1 Ų39.113%0.12820%0.198CC..EExtended strand (participates in β ladder)trans-85.8122164.8-56.6177.3-62.4143.18.5108.1K56 C108 A109 K156 G158 D159 V160R18-K56 HydrophobicContact CG-CD 4.38Å; R18-C108 WeakPolarHBondContact CD-O 3.35Å; R18-C108 PolarHBondContact NH1-O 3.42Å; R18-A109 WeakPolarHBondContact CD-O 3.46Å; R18-K156 PolarHBondContact NH1-O 2.62Å; R18-K156 PolarHBondContact NH2-O 2.65Å; R18-G158 PolarHBondContact NH2-O 2.9Å; R18-G158 CarbonylContact O-C 3.57Å; R18-G158 WeakPolarHBondContact O-CA 3.11Å; R18-D159 IonicContact CZ-OD1 2.7Å; R18-D159 PolarHBondContact N-OD2 3.46Å; R18-D159 IonicContact NE-OD1 3.61Å; R18-D159 PolarHBondContact NE-OD1 3.49Å; R18-D159 IonicContact NE-OD2 3.36Å; R18-D159 IonicContact NH2-OD1 2.73Å; R18-D159 PolarHBondContact NH2-OD1 2.61Å; R18-D159 PolarHBondContact O-N 3.26Å; R18-V160 PolarHBondContact O-N 2.85Å
19V98.9Very high96.9Very high0 Ų041.2 Ų41.20%021%0.207CC..EExtended strand (participates in β ladder)trans-103.5109.8-178.7-176.10000108.4V14 M21 C50 A55 A57 V58 V59 V160 V162V14-V19 HydrophobicContact CB-CG2 4.12Å; V14-V19 HydrophobicContact CG1-CG2 3.99Å; V19-M21 HydrophobicContact CG1-CE 4.31Å; V19-C50 HydrophobicContact CG2-CB 4.48Å; V19-A55 HydrophobicContact CG2-CB 4.04Å; V19-A57 PolarHBondContact N-O 2.76Å; V19-V58 WeakPolarHBondContact O-CA 3.44Å; V19-V59 PolarHBondContact O-N 2.81Å; V19-V160 HydrophobicContact CB-CG2 4.27Å; V19-V160 HydrophobicContact CG1-CG2 4.27Å; V19-V160 HydrophobicContact CG2-CG2 3.8Å; V19-V162 HydrophobicContact CG1-CB 4.2Å; V19-V162 HydrophobicContact CG1-CG2 3.54Å
20I98.9Very high96.5Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-84.5120.2166.5179.4173.5000108.3V59 M61 L154 L157 V160 Y161 V162 V179 L181I20-V59 CarbonylContact C-O 3.51Å; I20-V59 WeakPolarHBondContact CA-O 3.49Å; I20-M61 HydrophobicContact CD1-CE 3.84Å; I20-M61 HydrophobicContact CD1-CG 4.41Å; I20-M61 HydrophobicContact CD1-SD 3.78Å; I20-M61 HydrophobicContact CG1-CE 3.96Å; I20-M61 HydrophobicContact CG1-CG 4.28Å; I20-M61 HydrophobicContact CG1-SD 4.19Å; I20-L154 HydrophobicContact CD1-CB 4.39Å; I20-L154 WeakPolarHBondContact CD1-O 3.49Å; I20-L157 HydrophobicContact CD1-CB 4.19Å; I20-L157 HydrophobicContact CD1-CD1 4.42Å; I20-V160 WeakPolarHBondContact CG2-O 3.23Å; I20-V160 PolarHBondContact N-O 2.86Å; I20-Y161 HydrophobicContact CG2-CD2 4.24Å; I20-Y161 WeakPolarHBondContact O-CA 3.43Å; I20-Y161 WeakPolarHBondContact O-CD2 3.46Å; I20-V162 PolarHBondContact O-N 2.78Å; I20-V179 HydrophobicContact CG2-CG1 4.3Å; I20-L181 HydrophobicContact CG2-CD1 3.58Å
21M98.9Very high96.1Very high0 Ų054.2 Ų54.20%026%0.261CS..EExtended strand (participates in β ladder)trans-122.3123-173.3-174.7-176.9-61.500110.8V19 V23 I47 V58 V59 L60 M61 V162 D164V19-M21 HydrophobicContact CG1-CE 4.31Å; M21-V23 HydrophobicContact CG-CG1 3.87Å; M21-V23 HydrophobicContact SD-CG1 3.85Å; M21-I47 HydrophobicContact SD-CG1 4.16Å; M21-V58 HydrophobicContact CE-CG1 4.25Å; M21-V59 PolarHBondContact N-O 2.89Å; M21-L60 HydrophobicContact CB-CD2 4.09Å; M21-L60 HydrophobicContact CG-CD2 4.4Å; M21-L60 WeakPolarHBondContact O-CA 3.4Å; M21-L60 HydrophobicContact SD-CD2 4.12Å; M21-M61 PolarHBondContact O-N 3.12Å; M21-V162 CarbonylContact C-O 3.58Å; M21-V162 WeakPolarHBondContact CA-O 3.28Å; M21-V162 HydrophobicContact CB-CB 4.22Å; M21-V162 HydrophobicContact CE-CB 4.16Å; M21-V162 HydrophobicContact CE-CG1 3.99Å; M21-V162 HydrophobicContact CG-CB 3.94Å; M21-V162 HydrophobicContact CG-CG1 3.98Å; M21-V162 HydrophobicContact SD-CG1 4.44Å; M21-D164 HydrophobicContact CG-CB 4.49Å
22R98.9Very high95.5Very high0 Ų052.3 Ų52.30%026%0.257CS..EExtended strand (participates in β ladder)trans-81.2126.1165.4-163.1104.1173117.4-17.4109.9M61 S62 L122 E128 Y161 V162 D164 A165 S175 M176R22-M61 WeakPolarHBondContact CA-O 3.35Å; R22-M61 HydrophobicContact CB-CE 3.99Å; R22-M61 PolarHBondContact NH1-O 3.05Å; R22-S62 PolarHBondContact NH1-O 2.59Å; R22-L122 VanDerWaalsContact NH2-CD1 3.33Å; R22-E128 IonicContact CZ-OE1 3.41Å; R22-E128 IonicContact NH2-OE1 2.72Å; R22-E128 PolarHBondContact NH2-OE1 3.13Å; R22-Y161 HydrophobicContact CB-CE2 4.21Å; R22-V162 PolarHBondContact N-O 2.71Å; R22-D164 CarbonylContact O-C 3.47Å; R22-D164 WeakPolarHBondContact O-CA 3.41Å; R22-D164 PolarHBondContact O-N 3.43Å; R22-A165 HydrophobicContact CB-CB 4.29Å; R22-A165 HydrophobicContact CG-CB 3.75Å; R22-S175 VanDerWaalsContact CD-OG 3.3Å; R22-S175 WeakPolarHBondContact CD-OG 3.45Å; R22-S175 VanDerWaalsContact NE-CB 3.31Å; R22-S175 PolarHBondContact NE-OG 3.31Å; R22-S175 PolarHBondContact NH2-OG 3.34Å; R22-M176 HydrophobicContact CB-CE 3.82Å; R22-M176 VanDerWaalsContact CD-CE 3.49Å; R22-M176 HydrophobicContact CG-CE 3.31Å
23V98.7Very high95.3Very high0 Ų058.8 Ų58.80%029%0.286CS..EExtended strand (participates in β ladder)trans-124.6156.1174.8-65.40000109.9M21 F25 L60 M61 S62M21-V23 HydrophobicContact CG-CG1 3.87Å; M21-V23 HydrophobicContact SD-CG1 3.85Å; V23-F25 HydrophobicContact CB-CD1 4.24Å; V23-F25 HydrophobicContact CB-CE1 3.97Å; V23-F25 HydrophobicContact CB-CE2 4.46Å; V23-F25 HydrophobicContact CB-CZ 4.11Å; V23-F25 HydrophobicContact CG2-CD1 3.92Å; V23-F25 HydrophobicContact CG2-CD2 3.56Å; V23-F25 HydrophobicContact CG2-CE1 3.76Å; V23-F25 HydrophobicContact CG2-CE2 3.42Å; V23-F25 VanDerWaalsContact CG2-CE2 3.42Å; V23-F25 HydrophobicContact CG2-CG 3.84Å; V23-F25 HydrophobicContact CG2-CZ 3.53Å; V23-L60 HydrophobicContact CG1-CD2 4Å; V23-L60 HydrophobicContact CG2-CB 4.4Å; V23-L60 HydrophobicContact CG2-CD2 4.49Å; V23-M61 PolarHBondContact N-O 3.18Å; V23-S62 WeakPolarHBondContact O-CB 3.5Å; V23-S62 PolarHBondContact O-OG 3.24Å
24D96.9Very high95.1Very high14 Ų1455.2 Ų55.28%0.07527%0.267CS..  trans-96.992.6174.5-174.38.2000110.6N26 R39 A165D24-N26 WeakPolarHBondContact OD1-CB 3.23Å; D24-N26 PolarHBondContact OD1-N 3.38Å; D24-R39 VanDerWaalsContact O-CB 3.26Å; D24-R39 WeakPolarHBondContact O-CB 3.49Å; D24-R39 IonicContact OD2-CZ 3.37Å; D24-R39 IonicContact OD2-NE 2.81Å; D24-R39 IonicContact OD2-NH1 3.91Å; D24-R39 PolarHBondContact OD2-NH1 3.35Å; D24-A165 HydrophobicContact CB-CB 4.22Å
25F97.5Very high94.6Very high0 Ų059.3 Ų59.30%029%0.292CS..  trans-103.725.7175.8-65.2-20.9000112V23 V27 I40 S43 L60 S62 L78 V81 L85 L118V23-F25 HydrophobicContact CB-CD1 4.24Å; V23-F25 HydrophobicContact CB-CE1 3.97Å; V23-F25 HydrophobicContact CB-CE2 4.46Å; V23-F25 HydrophobicContact CB-CZ 4.11Å; V23-F25 HydrophobicContact CG2-CD1 3.92Å; V23-F25 HydrophobicContact CG2-CD2 3.56Å; V23-F25 HydrophobicContact CG2-CE1 3.76Å; V23-F25 HydrophobicContact CG2-CE2 3.42Å; V23-F25 VanDerWaalsContact CG2-CE2 3.42Å; V23-F25 HydrophobicContact CG2-CG 3.84Å; V23-F25 HydrophobicContact CG2-CZ 3.53Å; F25-V27 PolarHBondContact O-N 3.42Å; F25-I40 HydrophobicContact CD1-CB 4.41Å; F25-I40 HydrophobicContact CD1-CG1 3.94Å; F25-I40 HydrophobicContact CE1-CB 4.21Å; F25-I40 HydrophobicContact CE1-CG1 4.2Å; F25-I40 HydrophobicContact CE1-CG2 4.06Å; F25-I40 HydrophobicContact CG-CG1 4.47Å; F25-I40 HydrophobicContact CZ-CG2 4.29Å; F25-S43 VanDerWaalsContact CE1-OG 3.23Å; F25-S43 WeakPolarHBondContact CE1-OG 2.98Å; F25-L60 HydrophobicContact CE2-CD1 4.19Å; F25-L60 HydrophobicContact CZ-CD1 4.37Å; F25-S62 WeakPolarHBondContact CB-OG 3.03Å; F25-S62 PolarHBondContact N-OG 3.42Å; F25-L78 HydrophobicContact CB-CD2 4.06Å; F25-V81 HydrophobicContact CB-CG1 4.02Å; F25-V81 HydrophobicContact CD1-CG1 4.47Å; F25-V81 HydrophobicContact CD2-CG1 3.44Å; F25-V81 VanDerWaalsContact CD2-CG1 3.44Å; F25-V81 HydrophobicContact CE2-CG1 3.88Å; F25-V81 HydrophobicContact CG-CG1 3.77Å; F25-L85 HydrophobicContact CZ-CD1 4.45Å; F25-L118 HydrophobicContact CD2-CD1 4.1Å; F25-L118 HydrophobicContact CE2-CD1 4.07Å
26N95.6Very high94Very high56 Ų5653.4 Ų53.430%0.29928%0.275SS..  trans-75.669171.2-172.737.8000110.5D24 R39 H63 G65D24-N26 WeakPolarHBondContact OD1-CB 3.23Å; D24-N26 PolarHBondContact OD1-N 3.38Å; N26-R39 WeakPolarHBondContact O-CD 3.48Å; N26-R39 PolarHBondContact O-NE 2.86Å; N26-H63 PolarHBondContact N-O 2.88Å; N26-G65 PolarHBondContact OD1-N 3.47Å
27V92.1Very high93.6Very high5 Ų552.9 Ų52.93%0.0326%0.261CS..  trans-82.6149.5-179.3-68.30000111.3F25 M29 I34 R39 I40 L64 V81F25-V27 PolarHBondContact O-N 3.42Å; V27-M29 HydrophobicContact CG2-CG 4.47Å; V27-M29 HydrophobicContact CG2-SD 3.92Å; V27-M29 PolarHBondContact O-N 3.14Å; V27-I34 HydrophobicContact CB-CG2 4.17Å; V27-I34 HydrophobicContact CG2-CG1 4Å; V27-I34 HydrophobicContact CG2-CG2 4.07Å; V27-R39 HydrophobicContact CG1-CB 4.07Å; V27-I40 HydrophobicContact CG1-CD1 3.98Å; V27-I40 HydrophobicContact CG1-CG1 3.85Å; V27-L64 HydrophobicContact CG2-CD1 4.36Å; V27-L64 WeakPolarHBondContact O-CD1 3.49Å; V27-V81 HydrophobicContact CG2-CG2 4.15Å
28P88.1Confident93Very high63 Ų6352.6 Ų52.641%0.40926%0.261SS..  trans-66.7134.1172.329.4-34.4000110.2T35 N36P28-T35 WeakPolarHBondContact CB-OG1 3.43Å; P28-T35 WeakPolarHBondContact CG-OG1 3.43Å; P28-T35 PolarHBondContact O-N 3.34Å; P28-T35 PolarHBondContact O-OG1 2.91Å; P28-N36 HydrophobicContact CG-CB 3.7Å
29M90Very high92.6Very high54 Ų5455 Ų5527%0.26627%0.27SS..EExtended strand (participates in β ladder)trans-122.7138.5-176.5-63-67.6-80.700110.1V27 N32 Q33 I34 L64 P80V27-M29 HydrophobicContact CG2-CG 4.47Å; V27-M29 HydrophobicContact CG2-SD 3.92Å; V27-M29 PolarHBondContact O-N 3.14Å; M29-N32 WeakPolarHBondContact CE-O 3.38Å; M29-Q33 CarbonylContact C-O 3.53Å; M29-Q33 WeakPolarHBondContact CA-O 3.43Å; M29-I34 HydrophobicContact CE-CG1 4.23Å; M29-I34 HydrophobicContact SD-CB 4.16Å; M29-I34 HydrophobicContact SD-CG1 3.49Å; M29-I34 WeakPolarHBondContact SD-CG1 3.46Å; M29-L64 HydrophobicContact CG-CD1 4.23Å; M29-L64 HydrophobicContact CG-CD2 4.26Å; M29-P80 HydrophobicContact CE-CB 3.96Å; M29-P80 HydrophobicContact CE-CG 3.92Å
30K90.3Very high92.4Very high144 Ų14455 Ų5563%0.62627%0.27SS*.EExtended strand (participates in β ladder)trans-131.5118169.5-172.9176.1-177.2177.80108.5N32 Q33 T35K30-N32 VanDerWaalsContact C-N 3.32Å; K30-N32 PolarHBondContact O-N 3.15Å; K30-Q33 PolarHBondContact N-O 3.15Å; K30-Q33 WeakPolarHBondContact O-CB 3.29Å; K30-Q33 PolarHBondContact O-N 2.97Å; K30-T35 HydrophobicContact CB-CG2 3.57Å
31K87.3Confident92.2Very high195 Ų19560.3 Ų60.385%0.84829%0.293SS*.THydrogen-bonded Turntrans49.649.9-177.7-58.4-177.7177-175.80112.6Q33K31-Q33 PolarHBondContact O-N 2.99Å; K31-Q33 VanDerWaalsContact O-N 3.15Å
32N85.6Confident91.9Very high87 Ų8761.9 Ų61.947%0.46531%0.306SS..THydrogen-bonded Turntrans60.713.3-176.2-69-7.5000116.5M29 K30 D74M29-N32 WeakPolarHBondContact CE-O 3.38Å; K30-N32 VanDerWaalsContact C-N 3.32Å; K30-N32 PolarHBondContact O-N 3.15Å; N32-D74 PolarHBondContact ND2-O 2.84Å; N32-D74 PolarHBondContact OD1-O 2.92Å
33Q91.9Very high91.7Very high147 Ų14762 Ų6269%0.68731%0.307SS*.EExtended strand (participates in β ladder)trans-105.4136.7171.7-62-177.6-2.400110.9M29 K30 K31 T35M29-Q33 CarbonylContact C-O 3.53Å; M29-Q33 WeakPolarHBondContact CA-O 3.43Å; K30-Q33 PolarHBondContact N-O 3.15Å; K30-Q33 WeakPolarHBondContact O-CB 3.29Å; K30-Q33 PolarHBondContact O-N 2.97Å; K31-Q33 PolarHBondContact O-N 2.99Å; K31-Q33 VanDerWaalsContact O-N 3.15Å; Q33-T35 PolarHBondContact O-N 3.29Å
34I94.3Very high91.7Very high37 Ų3762.9 Ų62.919%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-69.9120.2174.7-60.9165.6000108V27 M29 N36 N37 I40 V81 E84V27-I34 HydrophobicContact CB-CG2 4.17Å; V27-I34 HydrophobicContact CG2-CG1 4Å; V27-I34 HydrophobicContact CG2-CG2 4.07Å; M29-I34 HydrophobicContact CE-CG1 4.23Å; M29-I34 HydrophobicContact SD-CB 4.16Å; M29-I34 HydrophobicContact SD-CG1 3.49Å; M29-I34 WeakPolarHBondContact SD-CG1 3.46Å; I34-N36 WeakPolarHBondContact CG2-O 3.42Å; I34-N37 HydrophobicContact CG2-CB 4.21Å; I34-I40 HydrophobicContact CD1-CD1 3.83Å; I34-V81 HydrophobicContact CD1-CG2 4.2Å; I34-E84 HydrophobicContact CD1-CB 3.71Å; I34-E84 HydrophobicContact CD1-CG 4.11Å
35T89.1Confident91.8Very high89 Ų8965.4 Ų65.455%0.54633%0.329SS..SBendtrans-90.8-20.5178.560.60000113P28 K30 Q33P28-T35 WeakPolarHBondContact CB-OG1 3.43Å; P28-T35 WeakPolarHBondContact CG-OG1 3.43Å; P28-T35 PolarHBondContact O-N 3.34Å; P28-T35 PolarHBondContact O-OG1 2.91Å; K30-T35 HydrophobicContact CB-CG2 3.57Å; Q33-T35 PolarHBondContact O-N 3.29Å
36N84.4Confident91.8Very high65 Ų6565.4 Ų65.435%0.34833%0.329SS..  trans-147.1118173.9-178.2-14.8000110P28 I34 Q38P28-N36 HydrophobicContact CG-CB 3.7Å; I34-N36 WeakPolarHBondContact CG2-O 3.42Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.26Å; N36-Q38 PolarHBondContact OD1-N 3.07Å
37N91.3Very high92Very high35 Ų3562.8 Ų62.819%0.18731%0.314CS..  trans-93.89.5-178.667.80.5000114.4I34 R39 I40 K41 E84I34-N37 HydrophobicContact CG2-CB 4.21Å; N37-R39 VanDerWaalsContact C-N 3.32Å; N37-R39 PolarHBondContact O-N 3.33Å; N37-I40 HydrophobicContact CB-CD1 4.36Å; N37-I40 WeakPolarHBondContact O-CB 3.42Å; N37-I40 PolarHBondContact O-N 2.96Å; N37-K41 WeakPolarHBondContact ND2-CE 3.48Å; N37-K41 PolarHBondContact O-N 3.23Å; N37-K41 VanDerWaalsContact OD1-CE 3.27Å; N37-K41 WeakPolarHBondContact OD1-CE 3.41Å; N37-K41 PolarHBondContact OD1-NZ 3.41Å; N37-E84 HydrophobicContact CB-CG 4.05Å; N37-E84 PolarHBondContact ND2-OE1 3.37Å
38Q85.8Confident92.3Very high80 Ų8066.9 Ų66.937%0.37433%0.332SS..Hα-helixtrans-56.4-41.8-175.7-178.4179.75.600112.9N36 I40 K41 A42N36-Q38 WeakPolarHBondContact OD1-CB 3.26Å; N36-Q38 PolarHBondContact OD1-N 3.07Å; Q38-I40 VanDerWaalsContact C-N 3.27Å; Q38-I40 PolarHBondContact O-N 3.48Å; Q38-K41 PolarHBondContact O-N 3.02Å; Q38-A42 WeakPolarHBondContact O-CB 3.38Å; Q38-A42 PolarHBondContact O-N 3.32Å
39R90.5Very high92.8Very high85 Ų8566.7 Ų66.732%0.32132%0.323SS..Hα-helixtrans-64-34177.7-61.8-168.4-178-84.5-12.4112.6D24 N26 V27 N37 A42 T394D24-R39 VanDerWaalsContact O-CB 3.26Å; D24-R39 WeakPolarHBondContact O-CB 3.49Å; D24-R39 IonicContact OD2-CZ 3.37Å; D24-R39 IonicContact OD2-NE 2.81Å; D24-R39 IonicContact OD2-NH1 3.91Å; D24-R39 PolarHBondContact OD2-NH1 3.35Å; N26-R39 WeakPolarHBondContact O-CD 3.48Å; N26-R39 PolarHBondContact O-NE 2.86Å; V27-R39 HydrophobicContact CG1-CB 4.07Å; N37-R39 VanDerWaalsContact C-N 3.32Å; N37-R39 PolarHBondContact O-N 3.33Å; R39-A42 PolarHBondContact O-N 2.61Å; R39-T394 PolarHBondContact NH1-O 3.22Å; R39-T394 VanDerWaalsContact NH1-O 3.12Å
40I95.3Very high93.2Very high0 Ų064.1 Ų64.10%031%0.311CS..Hα-helixtrans-70.4-48.2176.3-54.9164.4000109.5F25 V27 I34 N37 Q38 A42 S43 V81 E84 L85 L88F25-I40 HydrophobicContact CD1-CB 4.41Å; F25-I40 HydrophobicContact CD1-CG1 3.94Å; F25-I40 HydrophobicContact CE1-CB 4.21Å; F25-I40 HydrophobicContact CE1-CG1 4.2Å; F25-I40 HydrophobicContact CE1-CG2 4.06Å; F25-I40 HydrophobicContact CG-CG1 4.47Å; F25-I40 HydrophobicContact CZ-CG2 4.29Å; V27-I40 HydrophobicContact CG1-CD1 3.98Å; V27-I40 HydrophobicContact CG1-CG1 3.85Å; I34-I40 HydrophobicContact CD1-CD1 3.83Å; N37-I40 HydrophobicContact CB-CD1 4.36Å; N37-I40 WeakPolarHBondContact O-CB 3.42Å; N37-I40 PolarHBondContact O-N 2.96Å; Q38-I40 VanDerWaalsContact C-N 3.27Å; Q38-I40 PolarHBondContact O-N 3.48Å; I40-A42 PolarHBondContact O-N 3.27Å; I40-S43 PolarHBondContact O-N 3.08Å; I40-S43 PolarHBondContact O-OG 3.05Å; I40-S43 VanDerWaalsContact O-OG 3.07Å; I40-V81 HydrophobicContact CD1-CB 4.47Å; I40-V81 HydrophobicContact CD1-CG1 3.82Å; I40-V81 HydrophobicContact CD1-CG2 4.34Å; I40-V81 HydrophobicContact CG1-CG1 4.02Å; I40-E84 HydrophobicContact CD1-CB 4.08Å; I40-E84 HydrophobicContact CD1-CG 3.75Å; I40-L85 HydrophobicContact CG2-CD1 4.06Å; I40-L88 HydrophobicContact CB-CD1 4.21Å; I40-L88 HydrophobicContact CG2-CD1 3.69Å
41K93.3Very high93.6Very high110 Ų11059 Ų5948%0.47829%0.29SS..Hα-helixtrans-55.4-36.6175.4-74.2178173.7166.60112.6N37 Q38 S43 I44 L88N37-K41 WeakPolarHBondContact ND2-CE 3.48Å; N37-K41 PolarHBondContact O-N 3.23Å; N37-K41 VanDerWaalsContact OD1-CE 3.27Å; N37-K41 WeakPolarHBondContact OD1-CE 3.41Å; N37-K41 PolarHBondContact OD1-NZ 3.41Å; Q38-K41 PolarHBondContact O-N 3.02Å; K41-S43 VanDerWaalsContact C-N 3.3Å; K41-S43 PolarHBondContact O-N 3.45Å; K41-I44 WeakPolarHBondContact O-CB 3.27Å; K41-I44 WeakPolarHBondContact O-CG1 3.44Å; K41-I44 PolarHBondContact O-N 2.89Å; K41-L88 HydrophobicContact CG-CD1 3.83Å; K41-L88 HydrophobicContact CG-CD2 4Å
42A92.1Very high94.1Very high33 Ų3355.9 Ų55.927%0.27328%0.282SS..Hα-helixtrans-69.6-22.1-176.300000114.1Q38 R39 I40 P45 L189Q38-A42 WeakPolarHBondContact O-CB 3.38Å; Q38-A42 PolarHBondContact O-N 3.32Å; R39-A42 PolarHBondContact O-N 2.61Å; I40-A42 PolarHBondContact O-N 3.27Å; A42-P45 WeakPolarHBondContact O-CD 3.42Å; A42-L189 HydrophobicContact CB-CD1 3.74Å
43S96.3Very high94.8Very high3 Ų354.6 Ų54.62%0.02128%0.276CS..Hα-helixtrans-90-14.4174.972.30000113.8F25 I40 K41 P45 S46 I47F25-S43 VanDerWaalsContact CE1-OG 3.23Å; F25-S43 WeakPolarHBondContact CE1-OG 2.98Å; I40-S43 PolarHBondContact O-N 3.08Å; I40-S43 PolarHBondContact O-OG 3.05Å; I40-S43 VanDerWaalsContact O-OG 3.07Å; K41-S43 VanDerWaalsContact C-N 3.3Å; K41-S43 PolarHBondContact O-N 3.45Å; S43-P45 VanDerWaalsContact C-CD 3.42Å; S43-P45 VanDerWaalsContact C-N 3.33Å; S43-S46 PolarHBondContact O-N 3.14Å; S43-S46 VanDerWaalsContact O-N 3.1Å; S43-I47 WeakPolarHBondContact O-CG1 3.46Å; S43-I47 PolarHBondContact O-N 3.18Å; S43-I47 VanDerWaalsContact O-N 3.13Å
44I98Very high95.1Very high19 Ų1949.3 Ų49.310%0.09726%0.261CS..Hα-helixtrans-52.5-42.9-179.4-60.6-64.2000112.9K41 S46 I47 K48 L85 L88 L89K41-I44 WeakPolarHBondContact O-CB 3.27Å; K41-I44 WeakPolarHBondContact O-CG1 3.44Å; K41-I44 PolarHBondContact O-N 2.89Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.22Å; I44-I47 PolarHBondContact O-N 3.5Å; I44-K48 HydrophobicContact CG2-CD 3.81Å; I44-K48 HydrophobicContact CG2-CG 3.99Å; I44-K48 WeakPolarHBondContact O-CB 3.28Å; I44-K48 WeakPolarHBondContact O-CG 3.38Å; I44-K48 PolarHBondContact O-N 3.14Å; I44-L85 HydrophobicContact CD1-CD1 3.61Å; I44-L88 HydrophobicContact CD1-CB 3.85Å; I44-L88 HydrophobicContact CD1-CD1 4.36Å; I44-L88 HydrophobicContact CG1-CB 4.39Å; I44-L89 HydrophobicContact CD1-CD2 3.7Å; I44-L89 HydrophobicContact CD1-CG 3.85Å; I44-L89 HydrophobicContact CG2-CD2 3.95Å
45P98.3Very high95.3Very high67 Ų6747.7 Ų47.744%0.43525%0.253SS..Hα-helixtrans-57.9-43178-26.136.6000113.1A42 S43 Y49 F188A42-P45 WeakPolarHBondContact O-CD 3.42Å; S43-P45 VanDerWaalsContact C-CD 3.42Å; S43-P45 VanDerWaalsContact C-N 3.33Å; P45-Y49 WeakPolarHBondContact O-CB 3.46Å; P45-Y49 PolarHBondContact O-N 2.9Å; P45-F188 HydrophobicContact CB-CD2 4.05Å
46S98.8Very high95.7Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-66.8-42179-59.70000111.3S43 I44 C50 D164 F188S43-S46 PolarHBondContact O-N 3.14Å; S43-S46 VanDerWaalsContact O-N 3.1Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.22Å; S46-C50 PolarHBondContact O-N 3.33Å; S46-C50 PolarHBondContact O-SG 3.24Å; S46-C50 VanDerWaalsContact O-SG 3.36Å; S46-D164 VanDerWaalsContact CB-OD2 3.25Å; S46-D164 WeakPolarHBondContact CB-OD2 3.43Å; S46-D164 PolarHBondContact OG-OD2 3.39Å; S46-F188 PolarHBondContact OG-N 3.46Å
47I98.8Very high96.4Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-64.8-49.7178.8-61.2167.9000110.6M21 S43 I44 Y49 C50 L51 V58 L60 L85 L89M21-I47 HydrophobicContact SD-CG1 4.16Å; S43-I47 WeakPolarHBondContact O-CG1 3.46Å; S43-I47 PolarHBondContact O-N 3.18Å; S43-I47 VanDerWaalsContact O-N 3.13Å; I44-I47 PolarHBondContact O-N 3.5Å; I47-Y49 VanDerWaalsContact C-N 3.34Å; I47-Y49 PolarHBondContact O-N 3.49Å; I47-C50 PolarHBondContact O-N 2.99Å; I47-L51 HydrophobicContact CG2-CD1 4.13Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.4Å; I47-L51 VanDerWaalsContact O-N 3.16Å; I47-V58 HydrophobicContact CG2-CG1 4.39Å; I47-L60 HydrophobicContact CD1-CD1 3.79Å; I47-L60 HydrophobicContact CD1-CD2 3.95Å; I47-L60 HydrophobicContact CG1-CD2 3.98Å; I47-L85 HydrophobicContact CD1-CD1 4.01Å; I47-L89 HydrophobicContact CG2-CD1 3.82Å; I47-L89 HydrophobicContact CG2-CD2 4.26Å
48K98.6Very high96.8Very high92 Ų9241.4 Ų41.440%0.421%0.213SC..Hα-helixtrans-59.7-44.9178.7-76.1-171.7174-175.50111.4I44 C50 L51 D52 L89I44-K48 HydrophobicContact CG2-CD 3.81Å; I44-K48 HydrophobicContact CG2-CG 3.99Å; I44-K48 WeakPolarHBondContact O-CB 3.28Å; I44-K48 WeakPolarHBondContact O-CG 3.38Å; I44-K48 PolarHBondContact O-N 3.14Å; K48-C50 VanDerWaalsContact C-N 3.32Å; K48-C50 PolarHBondContact O-N 2.79Å; K48-L51 PolarHBondContact O-N 3.22Å; K48-D52 WeakPolarHBondContact O-CB 3.46Å; K48-D52 PolarHBondContact O-N 3.27Å; K48-L89 HydrophobicContact CG-CD2 3.95Å
49Y98.8Very high97.4Very high59 Ų5937.7 Ų37.723%0.23120%0.196CC..Hα-helixtrans-58.6-42.4177.9-179.7-86.5000113L9 P45 I47 L51 N53 F188L9-Y49 HydrophobicContact CD1-CD1 4.2Å; L9-Y49 HydrophobicContact CD1-CE1 4.35Å; L9-Y49 HydrophobicContact CD2-CD1 3.92Å; L9-Y49 HydrophobicContact CG-CD1 3.66Å; L9-Y49 HydrophobicContact CG-CE1 3.95Å; L9-Y49 WeakPolarHBondContact O-CE1 3.27Å; P45-Y49 WeakPolarHBondContact O-CB 3.46Å; P45-Y49 PolarHBondContact O-N 2.9Å; I47-Y49 VanDerWaalsContact C-N 3.34Å; I47-Y49 PolarHBondContact O-N 3.49Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.05Å; Y49-N53 VanDerWaalsContact CD2-ND2 3.32Å; Y49-N53 WeakPolarHBondContact CD2-ND2 3.38Å; Y49-N53 VanDerWaalsContact CE2-ND2 3.27Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.39Å; Y49-N53 VanDerWaalsContact O-CB 3.31Å; Y49-N53 WeakPolarHBondContact O-CB 3.43Å; Y49-N53 PolarHBondContact O-N 3.45Å; Y49-N53 PolarHBondContact O-ND2 2.88Å; Y49-F188 HydrophobicContact CD1-CE2 4.36Å; Y49-F188 HydrophobicContact CD1-CZ 4.25Å; Y49-F188 AromaticContact CD2-CE2 3.89Å; Y49-F188 HydrophobicContact CD2-CE2 3.89Å; Y49-F188 AromaticContact CD2-CZ 3.66Å; Y49-F188 HydrophobicContact CD2-CZ 3.66Å; Y49-F188 HydrophobicContact CE2-CZ 4.09Å; Y49-F188 AromaticContact CG-CE2 3.67Å; Y49-F188 HydrophobicContact CG-CE2 3.67Å; Y49-F188 AromaticContact CG-CZ 3.75Å; Y49-F188 HydrophobicContact CG-CZ 3.75Å
50C98.8Very high97.8Very high0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-58.3-47.4174-69.40000111.5V19 S46 I47 K48 G54 A55 V58V19-C50 HydrophobicContact CG2-CB 4.48Å; S46-C50 PolarHBondContact O-N 3.33Å; S46-C50 PolarHBondContact O-SG 3.24Å; S46-C50 VanDerWaalsContact O-SG 3.36Å; I47-C50 PolarHBondContact O-N 2.99Å; K48-C50 VanDerWaalsContact C-N 3.32Å; K48-C50 PolarHBondContact O-N 2.79Å; C50-G54 PolarHBondContact O-N 3.46Å; C50-A55 HydrophobicContact CB-CB 3.99Å; C50-A55 WeakPolarHBondContact O-CB 3.28Å; C50-A55 PolarHBondContact O-N 2.81Å; C50-V58 HydrophobicContact CB-CG2 3.53Å
51L98.6Very high98Very high36 Ų3633.6 Ų33.619%0.18818%0.18CC..Hα-helixtrans-64.4-48.8-179.4-63.4172.2000111.9I47 K48 Y49 N53 G54 V58 K91 G114 V116I47-L51 HydrophobicContact CG2-CD1 4.13Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.4Å; I47-L51 VanDerWaalsContact O-N 3.16Å; K48-L51 PolarHBondContact O-N 3.22Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.05Å; L51-N53 VanDerWaalsContact C-N 3.25Å; L51-N53 PolarHBondContact O-N 3.16Å; L51-G54 PolarHBondContact O-N 2.79Å; L51-V58 HydrophobicContact CD2-CG2 4.01Å; L51-V58 HydrophobicContact CG-CG2 4.26Å; L51-K91 HydrophobicContact CD1-CD 4.4Å; L51-G114 WeakPolarHBondContact CD2-O 3.42Å; L51-V116 HydrophobicContact CD1-CG2 3.9Å; L51-V116 HydrophobicContact CD2-CG2 3.98Å; L51-V116 HydrophobicContact CG-CG2 4.48Å
52D98.4Very high98.2Very high129 Ų12928.4 Ų28.469%0.6916%0.158SC*.Hα-helixtrans-65.3-29.4-177.5-63.3-21.2000111.9K48 G54K48-D52 WeakPolarHBondContact O-CB 3.46Å; K48-D52 PolarHBondContact O-N 3.27Å; D52-G54 VanDerWaalsContact C-N 3.28Å; D52-G54 PolarHBondContact O-N 3.46Å
53N98.6Very high98.5Very high61 Ų6127.1 Ų27.133%0.32615%0.146SC..THydrogen-bonded Turntrans-9013.1174.7-70.6-85.2000113.5V14 Y49 L51V14-N53 HydrophobicContact CG2-CB 3.63Å; Y49-N53 VanDerWaalsContact CD2-ND2 3.32Å; Y49-N53 WeakPolarHBondContact CD2-ND2 3.38Å; Y49-N53 VanDerWaalsContact CE2-ND2 3.27Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.39Å; Y49-N53 VanDerWaalsContact O-CB 3.31Å; Y49-N53 WeakPolarHBondContact O-CB 3.43Å; Y49-N53 PolarHBondContact O-N 3.45Å; Y49-N53 PolarHBondContact O-ND2 2.88Å; L51-N53 VanDerWaalsContact C-N 3.25Å; L51-N53 PolarHBondContact O-N 3.16Å
54G98.4Very high98.6Very high36 Ų3627.2 Ų27.237%0.37115%0.146SC..THydrogen-bonded Turntrans80.628.5169.400000114.5G16 C50 L51 D52 K56G16-G54 PolarHBondContact N-O 3.23Å; C50-G54 PolarHBondContact O-N 3.46Å; L51-G54 PolarHBondContact O-N 2.79Å; D52-G54 VanDerWaalsContact C-N 3.28Å; D52-G54 PolarHBondContact O-N 3.46Å; G54-K56 PolarHBondContact O-N 2.82Å
55A98.8Very high98.5Very high2 Ų227 Ų272%0.01715%0.149CC..  trans-56.7137.2168.900000110.7V14 V19 C50 A57 G114V14-A55 HydrophobicContact CB-CB 4.36Å; V14-A55 VanDerWaalsContact O-CA 3.28Å; V14-A55 WeakPolarHBondContact O-CA 3.04Å; V19-A55 HydrophobicContact CG2-CB 4.04Å; C50-A55 HydrophobicContact CB-CB 3.99Å; C50-A55 WeakPolarHBondContact O-CB 3.28Å; C50-A55 PolarHBondContact O-N 2.81Å; A55-A57 VanDerWaalsContact C-N 3.33Å; A55-G114 PolarHBondContact O-N 2.96Å
56K98.8Very high98.4Very high58 Ų5832 Ų3225%0.25216%0.159SC..SBendtrans-65.5-41.5175.4-176.8172.3-170.5162.60110.9G16 K17 R18 G54 N110 P111 A112 P113 G114 S115G16-K56 WeakPolarHBondContact O-CB 3.48Å; K17-K56 WeakPolarHBondContact O-CB 3.48Å; K17-K56 PolarHBondContact O-N 3.38Å; R18-K56 HydrophobicContact CG-CD 4.38Å; G54-K56 PolarHBondContact O-N 2.82Å; K56-N110 WeakPolarHBondContact CE-OD1 3.45Å; K56-N110 PolarHBondContact NZ-OD1 2.99Å; K56-P111 WeakPolarHBondContact CE-O 3.41Å; K56-A112 VanDerWaalsContact O-O 3.1Å; K56-P113 CarbonylContact O-C 3.44Å; K56-P113 WeakPolarHBondContact O-CA 3.16Å; K56-G114 PolarHBondContact O-N 3.03Å; K56-S115 PolarHBondContact O-N 3.32Å
57A98.8Very high98.3Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-155156.5173.600000112.1V19 A55 P111 S115V19-A57 PolarHBondContact N-O 2.76Å; A55-A57 VanDerWaalsContact C-N 3.33Å; A57-P111 HydrophobicContact CB-CB 4.37Å; A57-P111 HydrophobicContact CB-CG 3.42Å; A57-P111 VanDerWaalsContact CB-CG 3.42Å; A57-S115 CarbonylContact C-O 3.4Å; A57-S115 VanDerWaalsContact CA-O 3.23Å; A57-S115 WeakPolarHBondContact CA-O 3.49Å
58V98.9Very high98.2Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-117.7111.2168.6-1740000108.2V19 M21 I47 C50 L51 L60 S115 V116 I117V19-V58 WeakPolarHBondContact O-CA 3.44Å; M21-V58 HydrophobicContact CE-CG1 4.25Å; I47-V58 HydrophobicContact CG2-CG1 4.39Å; C50-V58 HydrophobicContact CB-CG2 3.53Å; L51-V58 HydrophobicContact CD2-CG2 4.01Å; L51-V58 HydrophobicContact CG-CG2 4.26Å; V58-L60 HydrophobicContact CG1-CD2 3.77Å; V58-L60 HydrophobicContact CG1-CG 4.3Å; V58-S115 PolarHBondContact N-O 3.17Å; V58-V116 WeakPolarHBondContact O-CA 3.35Å; V58-I117 PolarHBondContact O-N 3.23Å
59V98.9Very high98.2Very high1 Ų130.7 Ų30.71%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-100.5110.6177.7-175.60000108.6V19 I20 M21 C108 I117 L119 L157V19-V59 PolarHBondContact O-N 2.81Å; I20-V59 CarbonylContact C-O 3.51Å; I20-V59 WeakPolarHBondContact CA-O 3.49Å; M21-V59 PolarHBondContact N-O 2.89Å; V59-C108 HydrophobicContact CG2-CB 4.34Å; V59-I117 HydrophobicContact CG2-CB 4.43Å; V59-I117 HydrophobicContact CG2-CD1 4.3Å; V59-L119 HydrophobicContact CG1-CD1 3.94Å; V59-L119 HydrophobicContact CG1-CD2 3.96Å; V59-L119 HydrophobicContact CG1-CG 3.9Å; V59-L157 HydrophobicContact CG1-CB 4.32Å
60L98.9Very high98Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-94127.8-176.8-58174.7000110.1M21 V23 F25 I47 V58 L85 V116 I117 L118 L119M21-L60 HydrophobicContact CB-CD2 4.09Å; M21-L60 HydrophobicContact CG-CD2 4.4Å; M21-L60 WeakPolarHBondContact O-CA 3.4Å; M21-L60 HydrophobicContact SD-CD2 4.12Å; V23-L60 HydrophobicContact CG1-CD2 4Å; V23-L60 HydrophobicContact CG2-CB 4.4Å; V23-L60 HydrophobicContact CG2-CD2 4.49Å; F25-L60 HydrophobicContact CE2-CD1 4.19Å; F25-L60 HydrophobicContact CZ-CD1 4.37Å; I47-L60 HydrophobicContact CD1-CD1 3.79Å; I47-L60 HydrophobicContact CD1-CD2 3.95Å; I47-L60 HydrophobicContact CG1-CD2 3.98Å; V58-L60 HydrophobicContact CG1-CD2 3.77Å; V58-L60 HydrophobicContact CG1-CG 4.3Å; L60-L85 HydrophobicContact CD1-CD2 3.32Å; L60-V116 HydrophobicContact CD1-CG1 4.13Å; L60-I117 PolarHBondContact N-O 3.1Å; L60-L118 HydrophobicContact CB-CD1 3.78Å; L60-L119 WeakPolarHBondContact O-CG 3.49Å; L60-L119 PolarHBondContact O-N 2.98Å
61M98.9Very high98Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-122.3130.7171.452.8166.4-17600110.5I20 M21 R22 V23 L119 L122 L154 Y161 V179I20-M61 HydrophobicContact CD1-CE 3.84Å; I20-M61 HydrophobicContact CD1-CG 4.41Å; I20-M61 HydrophobicContact CD1-SD 3.78Å; I20-M61 HydrophobicContact CG1-CE 3.96Å; I20-M61 HydrophobicContact CG1-CG 4.28Å; I20-M61 HydrophobicContact CG1-SD 4.19Å; M21-M61 PolarHBondContact O-N 3.12Å; R22-M61 WeakPolarHBondContact CA-O 3.35Å; R22-M61 HydrophobicContact CB-CE 3.99Å; R22-M61 PolarHBondContact NH1-O 3.05Å; V23-M61 PolarHBondContact N-O 3.18Å; M61-L119 HydrophobicContact CB-CD1 4.11Å; M61-L122 HydrophobicContact CB-CD1 4.24Å; M61-L122 HydrophobicContact CB-CD2 4.11Å; M61-L122 HydrophobicContact CB-CG 4.28Å; M61-L122 HydrophobicContact SD-CD1 3.87Å; M61-L154 HydrophobicContact SD-CD1 4.33Å; M61-L154 HydrophobicContact SD-CD2 4.15Å; M61-Y161 HydrophobicContact CE-CD2 4.17Å; M61-Y161 HydrophobicContact CE-CE2 3.53Å; M61-V179 HydrophobicContact CE-CG2 3.88Å
62S98.8Very high97.9Very high0 Ų035 Ų350%019%0.191CC..  trans-137.7-172.4178-154.60000113.3R22 V23 F25 L122R22-S62 PolarHBondContact NH1-O 2.59Å; V23-S62 WeakPolarHBondContact O-CB 3.5Å; V23-S62 PolarHBondContact O-OG 3.24Å; F25-S62 WeakPolarHBondContact CB-OG 3.03Å; F25-S62 PolarHBondContact N-OG 3.42Å; S62-L122 WeakPolarHBondContact O-CB 3.4Å; S62-L122 WeakPolarHBondContact O-CG 3.14Å; S62-L122 PolarHBondContact O-N 3.2Å
63H98.6Very high97.8Very high6 Ų632.1 Ų32.13%0.02818%0.179CC..  trans-134.3158.3166.773.2-84000109.4N26 N121 R123 T168N26-H63 PolarHBondContact N-O 2.88Å; H63-N121 VanDerWaalsContact CA-OD1 3.26Å; H63-N121 WeakPolarHBondContact CA-OD1 3.21Å; H63-R123 HydrophobicContact CB-CG 3.88Å; H63-R123 PolarHBondContact CD2-NH1 3.11Å; H63-R123 PolarHBondContact NE2-NH1 3.26Å; H63-R123 PolarHBondContact NE2-NH2 2.99Å; H63-T168 PolarHBondContact CE1-OG1 3.34Å
64L98Very high97.6Very high5 Ų536 Ų363%0.02620%0.2CC..  trans-137.7128.2173.3-177.363.2000109.6V27 M29 S77 L78 N121V27-L64 HydrophobicContact CG2-CD1 4.36Å; V27-L64 WeakPolarHBondContact O-CD1 3.49Å; M29-L64 HydrophobicContact CG-CD1 4.23Å; M29-L64 HydrophobicContact CG-CD2 4.26Å; L64-S77 WeakPolarHBondContact CD2-O 3.39Å; L64-L78 HydrophobicContact CB-CD2 3.93Å; L64-L78 HydrophobicContact CB-CG 4.45Å; L64-L78 HydrophobicContact CD2-CD2 4.48Å; L64-N121 PolarHBondContact N-ND2 3.25Å; L64-N121 PolarHBondContact N-OD1 2.98Å; L64-N121 PolarHBondContact O-ND2 2.96Å
65G95.9Very high97.4Very high15 Ų1540.1 Ų40.116%0.15521%0.208CC..SBendtrans61.5-149.2177.900000114.3N26 R123N26-G65 PolarHBondContact OD1-N 3.47Å; G65-R123 PolarHBondContact O-NH1 2.94Å
66R95.8Very high97.3Very high172 Ų17242.5 Ų42.565%0.64922%0.217SC*.  trans-132.379.5-179.5-61.9-174.8-172.7-173.43109.2
67P96.6Very high97.3Very high0 Ų040.2 Ų40.20%021%0.208CC..  trans-79.4-4.717231.3-35.1000113G69 V70 M72 Y76 R123 F124P67-G69 VanDerWaalsContact C-N 3.3Å; P67-G69 PolarHBondContact O-N 2.86Å; P67-V70 WeakPolarHBondContact CB-O 3.39Å; P67-V70 PolarHBondContact O-N 2.84Å; P67-V70 VanDerWaalsContact O-N 3.1Å; P67-M72 HydrophobicContact CB-CB 4.47Å; P67-M72 HydrophobicContact CB-CG 4.36Å; P67-M72 HydrophobicContact CB-SD 4.34Å; P67-Y76 HydrophobicContact CB-CD2 3.9Å; P67-R123 HydrophobicContact CG-CB 3.51Å; P67-R123 WeakPolarHBondContact CG-O 3.33Å; P67-F124 HydrophobicContact CB-CD1 3.66Å; P67-F124 HydrophobicContact CB-CE1 3.79Å; P67-F124 HydrophobicContact CG-CD1 3.72Å; P67-F124 HydrophobicContact CG-CE1 4.01Å
68D96.8Very high97.3Very high53 Ų5340.2 Ų40.228%0.28321%0.208SC..THydrogen-bonded Turntrans52.838.8171.8-60.5-28.1000114.9G132 Q133D68-G132 CarbonylContact O-C 3.57Å; D68-G132 WeakPolarHBondContact O-CA 3.48Å; D68-Q133 HydrophobicContact CB-CB 4.06Å; D68-Q133 PolarHBondContact O-N 3.35Å
69G97.3Very high97.3Very high12 Ų1245.9 Ų45.912%0.12424%0.235CC..THydrogen-bonded Turntrans81.614.6176.900000114.6P67 R123 F124P67-G69 VanDerWaalsContact C-N 3.3Å; P67-G69 PolarHBondContact O-N 2.86Å; G69-R123 WeakPolarHBondContact CA-O 3.35Å; G69-R123 PolarHBondContact N-O 3.21Å; G69-F124 CarbonylContact C-O 3.59Å; G69-F124 VanDerWaalsContact C-O 3.25Å
70V96.6Very high97.2Very high27 Ų2747.7 Ų47.716%0.16425%0.246CC..SBendtrans-121.3131.7178.4-179.10000109.9P67 M72 Q133 P135P67-V70 WeakPolarHBondContact CB-O 3.39Å; P67-V70 PolarHBondContact O-N 2.84Å; P67-V70 VanDerWaalsContact O-N 3.1Å; V70-M72 HydrophobicContact CB-CE 4.33Å; V70-M72 PolarHBondContact O-N 3.34Å; V70-Q133 VanDerWaalsContact CG2-O 3.31Å; V70-Q133 WeakPolarHBondContact CG2-O 3.44Å; V70-P135 HydrophobicContact CG1-CG 4.21Å
71P97.5Very high97.2Very high90 Ų9047.7 Ų47.758%0.58425%0.246SC*.  trans-58.9122.2174.8-25.735000112.6F124P71-F124 HydrophobicContact CB-CB 4.38Å; P71-F124 HydrophobicContact CB-CD2 4.35Å; P71-F124 HydrophobicContact CB-CG 4.36Å; P71-F124 HydrophobicContact CG-CB 4.32Å
72M96.5Very high97.1Very high68 Ų6848.1 Ų48.134%0.33525%0.25SC..  trans-132.562.2177.7-64.2-172-172.200110.9P67 V70 D74 K75 Y76 F124P67-M72 HydrophobicContact CB-CB 4.47Å; P67-M72 HydrophobicContact CB-CG 4.36Å; P67-M72 HydrophobicContact CB-SD 4.34Å; V70-M72 HydrophobicContact CB-CE 4.33Å; V70-M72 PolarHBondContact O-N 3.34Å; M72-D74 VanDerWaalsContact C-N 3.29Å; M72-D74 PolarHBondContact O-N 2.82Å; M72-K75 PolarHBondContact O-N 3.18Å; M72-K75 VanDerWaalsContact O-N 3.14Å; M72-Y76 HydrophobicContact CB-CD2 4.05Å; M72-Y76 PolarHBondContact O-N 3.34Å; M72-Y76 HydrophobicContact SD-CD2 3.89Å; M72-Y76 HydrophobicContact SD-CE2 3.92Å; M72-F124 VanDerWaalsContact C-CZ 3.43Å; M72-F124 HydrophobicContact CB-CE1 4.11Å; M72-F124 VanDerWaalsContact N-CE1 3.33Å; M72-F124 WeakPolarHBondContact O-CZ 3.31Å
73P95.9Very high97.1Very high69 Ų6951.3 Ų51.345%0.44828%0.276SS..Hα-helixtrans-60.2-35.4-169.924.1-34.2000113.1K75 S77P73-K75 PolarHBondContact O-N 3.45Å; P73-S77 WeakPolarHBondContact O-CB 3.43Å; P73-S77 PolarHBondContact O-N 2.64Å
74D94.6Very high97Very high141 Ų14153.3 Ų53.375%0.75429%0.286SS*.Hα-helixtrans-71.8-15.5-177.5-56-50.3000114.1N32 M72N32-D74 PolarHBondContact ND2-O 2.84Å; N32-D74 PolarHBondContact OD1-O 2.92Å; M72-D74 VanDerWaalsContact C-N 3.29Å; M72-D74 PolarHBondContact O-N 2.82Å
75K94.9Very high97Very high124 Ų12453.1 Ų53.154%0.53928%0.284SS..Hα-helixtrans-118-38.5-174-173.2177.7-179.3-178.10113.7M72 P73M72-K75 PolarHBondContact O-N 3.18Å; M72-K75 VanDerWaalsContact O-N 3.14Å; P73-K75 PolarHBondContact O-N 3.45Å
76Y97.3Very high97.1Very high51 Ų5157.2 Ų57.220%0.230%0.298CS..Hα-helixtrans-129.520.1-170.6-63.4-52.7000112.9P67 M72 N121P67-Y76 HydrophobicContact CB-CD2 3.9Å; M72-Y76 HydrophobicContact CB-CD2 4.05Å; M72-Y76 PolarHBondContact O-N 3.34Å; M72-Y76 HydrophobicContact SD-CD2 3.89Å; M72-Y76 HydrophobicContact SD-CE2 3.92Å; Y76-N121 PolarHBondContact O-ND2 2.99Å
77S98.2Very high97.2Very high11 Ų1153.4 Ų53.48%0.07730%0.297CS..  trans-66.5145.9171.21780000111.7L64 P73 Q79 P80 E120L64-S77 WeakPolarHBondContact CD2-O 3.39Å; P73-S77 WeakPolarHBondContact O-CB 3.43Å; P73-S77 PolarHBondContact O-N 2.64Å; S77-Q79 VanDerWaalsContact C-N 3.28Å; S77-Q79 WeakPolarHBondContact OG-CB 3.49Å; S77-Q79 PolarHBondContact OG-N 3.17Å; S77-Q79 VanDerWaalsContact OG-N 3.07Å; S77-P80 WeakPolarHBondContact O-CD 3.38Å; S77-E120 WeakPolarHBondContact CA-OE1 3.45Å; S77-E120 VanDerWaalsContact CB-OE2 3.27Å; S77-E120 WeakPolarHBondContact CB-OE2 3.42Å; S77-E120 PolarHBondContact OG-OE1 3.25Å; S77-E120 PolarHBondContact OG-OE2 2.9Å
78L98.6Very high97.3Very high0 Ų055.6 Ų55.60%031%0.309CS..SBendtrans-83.22.2171.5-73.4171.8000113.3F25 L64 P80 V81 A82 F95 L118 E120 N121F25-L78 HydrophobicContact CB-CD2 4.06Å; L64-L78 HydrophobicContact CB-CD2 3.93Å; L64-L78 HydrophobicContact CB-CG 4.45Å; L64-L78 HydrophobicContact CD2-CD2 4.48Å; L78-P80 VanDerWaalsContact C-CD 3.49Å; L78-V81 HydrophobicContact CD2-CB 4.3Å; L78-V81 HydrophobicContact CD2-CG2 3.87Å; L78-V81 WeakPolarHBondContact O-CA 3.42Å; L78-V81 VanDerWaalsContact O-CB 3.26Å; L78-V81 WeakPolarHBondContact O-CB 3.35Å; L78-V81 PolarHBondContact O-N 2.91Å; L78-A82 PolarHBondContact O-N 3.02Å; L78-A82 VanDerWaalsContact O-N 3.15Å; L78-F95 HydrophobicContact CB-CE2 3.96Å; L78-F95 HydrophobicContact CB-CZ 4.49Å; L78-L118 HydrophobicContact CB-CD2 4.25Å; L78-E120 PolarHBondContact N-OE1 2.71Å; L78-N121 HydrophobicContact CD1-CB 4.41Å; L78-N121 HydrophobicContact CG-CB 4.39Å
79Q98.1Very high97.3Very high119 Ų11954.3 Ų54.356%0.55630%0.302SS*.Hα-helixtrans-54.2-42.4179-171.4-179.710.100113.8S77 V81 A82 A83 F95S77-Q79 VanDerWaalsContact C-N 3.28Å; S77-Q79 WeakPolarHBondContact OG-CB 3.49Å; S77-Q79 PolarHBondContact OG-N 3.17Å; S77-Q79 VanDerWaalsContact OG-N 3.07Å; Q79-V81 PolarHBondContact O-N 3.22Å; Q79-A82 WeakPolarHBondContact O-CB 3.3Å; Q79-A82 PolarHBondContact O-N 3.1Å; Q79-A82 VanDerWaalsContact O-N 3.14Å; Q79-A83 PolarHBondContact O-N 2.73Å; Q79-F95 HydrophobicContact CB-CD1 4.1Å; Q79-F95 HydrophobicContact CB-CE1 3.67Å; Q79-F95 HydrophobicContact CB-CZ 3.9Å; Q79-F95 HydrophobicContact CG-CD1 4.07Å; Q79-F95 HydrophobicContact CG-CE1 4.11Å
80P97.9Very high97.3Very high39 Ų3957.2 Ų57.225%0.25333%0.332SS..Hα-helixtrans-61.8-30.7174.7-23.235.6000113M29 S77 L78 A83 E84M29-P80 HydrophobicContact CE-CB 3.96Å; M29-P80 HydrophobicContact CE-CG 3.92Å; S77-P80 WeakPolarHBondContact O-CD 3.38Å; L78-P80 VanDerWaalsContact C-CD 3.49Å; P80-A83 PolarHBondContact O-N 3.37Å; P80-E84 PolarHBondContact O-N 3.01Å
81V98.4Very high97.2Very high0 Ų059.9 Ų59.90%034%0.341CS..Hα-helixtrans-69.8-35.1176.5179.30000111.2F25 V27 I34 I40 L78 Q79 A83 E84 L85 L118F25-V81 HydrophobicContact CB-CG1 4.02Å; F25-V81 HydrophobicContact CD1-CG1 4.47Å; F25-V81 HydrophobicContact CD2-CG1 3.44Å; F25-V81 VanDerWaalsContact CD2-CG1 3.44Å; F25-V81 HydrophobicContact CE2-CG1 3.88Å; F25-V81 HydrophobicContact CG-CG1 3.77Å; V27-V81 HydrophobicContact CG2-CG2 4.15Å; I34-V81 HydrophobicContact CD1-CG2 4.2Å; I40-V81 HydrophobicContact CD1-CB 4.47Å; I40-V81 HydrophobicContact CD1-CG1 3.82Å; I40-V81 HydrophobicContact CD1-CG2 4.34Å; I40-V81 HydrophobicContact CG1-CG1 4.02Å; L78-V81 HydrophobicContact CD2-CB 4.3Å; L78-V81 HydrophobicContact CD2-CG2 3.87Å; L78-V81 WeakPolarHBondContact O-CA 3.42Å; L78-V81 VanDerWaalsContact O-CB 3.26Å; L78-V81 WeakPolarHBondContact O-CB 3.35Å; L78-V81 PolarHBondContact O-N 2.91Å; Q79-V81 PolarHBondContact O-N 3.22Å; V81-A83 VanDerWaalsContact C-N 3.3Å; V81-A83 PolarHBondContact O-N 2.82Å; V81-E84 PolarHBondContact O-N 3.33Å; V81-L85 VanDerWaalsContact O-CB 3.23Å; V81-L85 WeakPolarHBondContact O-CB 3.17Å; V81-L85 PolarHBondContact O-N 3.28Å; V81-L118 HydrophobicContact CB-CD2 4.21Å; V81-L118 HydrophobicContact CG1-CD2 4.18Å
82A98Very high97.2Very high9 Ų961 Ų617%0.07434%0.342CS..Hα-helixtrans-59.7-41.5173.800000111.8L78 Q79 L85 K86 I93 F95 L118L78-A82 PolarHBondContact O-N 3.02Å; L78-A82 VanDerWaalsContact O-N 3.15Å; Q79-A82 WeakPolarHBondContact O-CB 3.3Å; Q79-A82 PolarHBondContact O-N 3.1Å; Q79-A82 VanDerWaalsContact O-N 3.14Å; A82-L85 PolarHBondContact O-N 3.38Å; A82-K86 WeakPolarHBondContact O-CB 3.47Å; A82-K86 PolarHBondContact O-N 3.1Å; A82-I93 HydrophobicContact CB-CG2 4.14Å; A82-F95 HydrophobicContact CB-CB 4.01Å; A82-F95 HydrophobicContact CB-CD2 4.04Å; A82-F95 HydrophobicContact CB-CG 4.25Å; A82-L118 HydrophobicContact CB-CD2 3.88Å
83A96.9Very high97.3Very high66 Ų6658.9 Ų58.955%0.54533%0.332SS..Hα-helixtrans-66-43.3178.200000112Q79 P80 V81 K86 S87Q79-A83 PolarHBondContact O-N 2.73Å; P80-A83 PolarHBondContact O-N 3.37Å; V81-A83 VanDerWaalsContact C-N 3.3Å; V81-A83 PolarHBondContact O-N 2.82Å; A83-K86 WeakPolarHBondContact O-CB 3.33Å; A83-K86 PolarHBondContact O-N 2.99Å; A83-S87 PolarHBondContact O-N 2.87Å
84E97.9Very high97.5Very high49 Ų4959.8 Ų59.823%0.22933%0.333CS..Hα-helixtrans-64.8-42.8175.6-174.360.8-15600111.7I34 N37 I40 P80 V81 K86 S87 L88I34-E84 HydrophobicContact CD1-CB 3.71Å; I34-E84 HydrophobicContact CD1-CG 4.11Å; N37-E84 HydrophobicContact CB-CG 4.05Å; N37-E84 PolarHBondContact ND2-OE1 3.37Å; I40-E84 HydrophobicContact CD1-CB 4.08Å; I40-E84 HydrophobicContact CD1-CG 3.75Å; P80-E84 PolarHBondContact O-N 3.01Å; V81-E84 PolarHBondContact O-N 3.33Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.27Å; E84-S87 WeakPolarHBondContact O-CB 3.35Å; E84-S87 PolarHBondContact O-N 3.18Å; E84-S87 VanDerWaalsContact O-N 3.16Å; E84-L88 HydrophobicContact CG-CD1 4.17Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 2.99Å
85L98Very high97.7Very high0 Ų054.9 Ų54.90%031%0.305CS..Hα-helixtrans-62.7-38.9177.6-173.966.7000111.8F25 I40 I44 I47 L60 V81 A82 S87 L88 L89 I93 V116F25-L85 HydrophobicContact CZ-CD1 4.45Å; I40-L85 HydrophobicContact CG2-CD1 4.06Å; I44-L85 HydrophobicContact CD1-CD1 3.61Å; I47-L85 HydrophobicContact CD1-CD1 4.01Å; L60-L85 HydrophobicContact CD1-CD2 3.32Å; V81-L85 VanDerWaalsContact O-CB 3.23Å; V81-L85 WeakPolarHBondContact O-CB 3.17Å; V81-L85 PolarHBondContact O-N 3.28Å; A82-L85 PolarHBondContact O-N 3.38Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 2.98Å; L85-L89 HydrophobicContact CD1-CD1 3.74Å; L85-L89 HydrophobicContact CD1-CG 4.05Å; L85-L89 HydrophobicContact CD2-CD1 4.34Å; L85-L89 HydrophobicContact CG-CD1 3.79Å; L85-L89 HydrophobicContact CG-CG 4.36Å; L85-L89 WeakPolarHBondContact O-CB 3.27Å; L85-L89 PolarHBondContact O-N 3.32Å; L85-I93 HydrophobicContact CB-CD1 4.49Å; L85-I93 HydrophobicContact CB-CG1 4.22Å; L85-I93 HydrophobicContact CD2-CD1 3.85Å; L85-I93 HydrophobicContact CD2-CG1 4.18Å; L85-I93 HydrophobicContact CD2-CG2 4.14Å; L85-I93 HydrophobicContact CG-CD1 3.87Å; L85-I93 HydrophobicContact CG-CG1 4.14Å; L85-V116 HydrophobicContact CD2-CG1 4.38Å
86K98.2Very high97.9Very high102 Ų10250.2 Ų50.244%0.44329%0.286SS..Hα-helixtrans-57.4-46.4172.8177.3171.4-176.1161.60111.4A82 A83 E84 G90 K91 D92 I93A82-K86 WeakPolarHBondContact O-CB 3.47Å; A82-K86 PolarHBondContact O-N 3.1Å; A83-K86 WeakPolarHBondContact O-CB 3.33Å; A83-K86 PolarHBondContact O-N 2.99Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.27Å; K86-G90 WeakPolarHBondContact O-CA 3.32Å; K86-G90 PolarHBondContact O-N 3.13Å; K86-K91 WeakPolarHBondContact CA-O 3.46Å; K86-K91 WeakPolarHBondContact CG-O 3.42Å; K86-D92 WeakPolarHBondContact CE-OD1 3.37Å; K86-D92 IonicContact NZ-OD1 2.68Å; K86-D92 PolarHBondContact NZ-OD1 2.94Å; K86-I93 HydrophobicContact CB-CG1 3.88Å
87S97.6Very high97.9Very high91 Ų9156.4 Ų56.464%0.63631%0.313SS*.Hα-helixtrans-61.2-47.1177.5-174.60000111.9A83 E84 L85A83-S87 PolarHBondContact O-N 2.87Å; E84-S87 WeakPolarHBondContact O-CB 3.35Å; E84-S87 PolarHBondContact O-N 3.18Å; E84-S87 VanDerWaalsContact O-N 3.16Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.36Å
88L97.8Very high97.9Very high46 Ų4659 Ų5924%0.24133%0.326CS..Hα-helixtrans-71.1-33.4-177.3-67.4172.9000113.9I40 K41 I44 E84 L85I40-L88 HydrophobicContact CB-CD1 4.21Å; I40-L88 HydrophobicContact CG2-CD1 3.69Å; K41-L88 HydrophobicContact CG-CD1 3.83Å; K41-L88 HydrophobicContact CG-CD2 4Å; I44-L88 HydrophobicContact CD1-CB 3.85Å; I44-L88 HydrophobicContact CD1-CD1 4.36Å; I44-L88 HydrophobicContact CG1-CB 4.39Å; E84-L88 HydrophobicContact CG-CD1 4.17Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 2.99Å; L85-L88 PolarHBondContact O-N 2.98Å
89L97.1Very high97.9Very high26 Ų2659 Ų5914%0.13633%0.326CS..Hα-helixtrans-89.7-22.2179.6-70.9178000113.5I44 I47 K48 L85 K91 I93 V116I44-L89 HydrophobicContact CD1-CD2 3.7Å; I44-L89 HydrophobicContact CD1-CG 3.85Å; I44-L89 HydrophobicContact CG2-CD2 3.95Å; I47-L89 HydrophobicContact CG2-CD1 3.82Å; I47-L89 HydrophobicContact CG2-CD2 4.26Å; K48-L89 HydrophobicContact CG-CD2 3.95Å; L85-L89 HydrophobicContact CD1-CD1 3.74Å; L85-L89 HydrophobicContact CD1-CG 4.05Å; L85-L89 HydrophobicContact CD2-CD1 4.34Å; L85-L89 HydrophobicContact CG-CD1 3.79Å; L85-L89 HydrophobicContact CG-CG 4.36Å; L85-L89 WeakPolarHBondContact O-CB 3.27Å; L85-L89 PolarHBondContact O-N 3.32Å; L89-K91 HydrophobicContact CB-CB 4.27Å; L89-K91 PolarHBondContact O-N 2.85Å; L89-I93 HydrophobicContact CD1-CD1 3.97Å; L89-V116 HydrophobicContact CD1-CG1 4.42Å
90G97.1Very high98Very high73 Ų7354.2 Ų54.275%0.75331%0.305SS*.THydrogen-bonded Turntrans63.828.8-170.100000112.6K86K86-G90 WeakPolarHBondContact O-CA 3.32Å; K86-G90 PolarHBondContact O-N 3.13Å
91K96Very high98Very high84 Ų8453.8 Ų53.837%0.36531%0.309SS..SBendtrans-138.9146-175.4-162.5171.4-161.4-68.50110.7L51 K86 L89 I93 G114 V116L51-K91 HydrophobicContact CD1-CD 4.4Å; K86-K91 WeakPolarHBondContact CA-O 3.46Å; K86-K91 WeakPolarHBondContact CG-O 3.42Å; L89-K91 HydrophobicContact CB-CB 4.27Å; L89-K91 PolarHBondContact O-N 2.85Å; K91-I93 PolarHBondContact O-N 3.29Å; K91-G114 VanDerWaalsContact CE-O 3.27Å; K91-G114 WeakPolarHBondContact CE-O 3.31Å; K91-G114 PolarHBondContact NZ-O 3.38Å; K91-V116 HydrophobicContact CD-CG2 4.31Å
92D97.5Very high98Very high112 Ų11257 Ų5760%0.59934%0.335SS*.  trans-62.2136.8175.3-70.1-43.8000111.8K86K86-D92 WeakPolarHBondContact CE-OD1 3.37Å; K86-D92 IonicContact NZ-OD1 2.68Å; K86-D92 PolarHBondContact NZ-OD1 2.94Å
93I98.6Very high98Very high24 Ų2464.8 Ų64.812%0.12337%0.37CS..  trans-113.5115.9178-49.3-57.4000107.5A82 L85 K86 L89 K91 F95 V116 L118A82-I93 HydrophobicContact CB-CG2 4.14Å; L85-I93 HydrophobicContact CB-CD1 4.49Å; L85-I93 HydrophobicContact CB-CG1 4.22Å; L85-I93 HydrophobicContact CD2-CD1 3.85Å; L85-I93 HydrophobicContact CD2-CG1 4.18Å; L85-I93 HydrophobicContact CD2-CG2 4.14Å; L85-I93 HydrophobicContact CG-CD1 3.87Å; L85-I93 HydrophobicContact CG-CG1 4.14Å; K86-I93 HydrophobicContact CB-CG1 3.88Å; L89-I93 HydrophobicContact CD1-CD1 3.97Å; K91-I93 PolarHBondContact O-N 3.29Å; I93-F95 PolarHBondContact O-N 3.32Å; I93-V116 HydrophobicContact CD1-CB 3.88Å; I93-V116 HydrophobicContact CD1-CG1 3.64Å; I93-L118 HydrophobicContact CG2-CB 3.87Å
94L98.7Very high98.1Very high88 Ų8862 Ų6246%0.46135%0.346SS..EExtended strand (participates in β ladder)trans-76.8109.7171.8176.161000108.5L96 V116 I117 L118L94-L96 HydrophobicContact CD1-CD2 4.25Å; L94-L96 HydrophobicContact CD2-CD2 4.17Å; L94-L96 HydrophobicContact CG-CD2 3.99Å; L94-L96 HydrophobicContact CG-CG 4.49Å; L94-V116 PolarHBondContact N-O 2.91Å; L94-I117 HydrophobicContact CB-CG1 4.26Å; L94-I117 HydrophobicContact CB-CG2 4.49Å; L94-I117 HydrophobicContact CD2-CD1 4.3Å; L94-I117 HydrophobicContact CD2-CG1 4.23Å; L94-I117 HydrophobicContact CD2-CG2 4.47Å; L94-I117 HydrophobicContact CG-CG2 4.42Å; L94-I117 CarbonylContact O-C 3.6Å; L94-I117 VanDerWaalsContact O-CA 3.29Å; L94-I117 WeakPolarHBondContact O-CA 3.49Å; L94-I117 WeakPolarHBondContact O-CG2 3.46Å; L94-L118 PolarHBondContact O-N 2.83Å
95F98.8Very high98.1Very high38 Ų3861.5 Ų61.517%0.16734%0.344CS..EExtended strand (participates in β ladder)trans-91.7124.6174.5-176.3-107.7000110.6L78 Q79 A82 I93 K97 L118 E120L78-F95 HydrophobicContact CB-CE2 3.96Å; L78-F95 HydrophobicContact CB-CZ 4.49Å; Q79-F95 HydrophobicContact CB-CD1 4.1Å; Q79-F95 HydrophobicContact CB-CE1 3.67Å; Q79-F95 HydrophobicContact CB-CZ 3.9Å; Q79-F95 HydrophobicContact CG-CD1 4.07Å; Q79-F95 HydrophobicContact CG-CE1 4.11Å; A82-F95 HydrophobicContact CB-CB 4.01Å; A82-F95 HydrophobicContact CB-CD2 4.04Å; A82-F95 HydrophobicContact CB-CG 4.25Å; I93-F95 PolarHBondContact O-N 3.32Å; F95-K97 HydrophobicContact CE1-CG 4.43Å; F95-L118 WeakPolarHBondContact CA-O 3.5Å; F95-L118 HydrophobicContact CD2-CB 4.16Å; F95-L118 HydrophobicContact CD2-CD2 4.12Å; F95-L118 HydrophobicContact CD2-CG 4Å; F95-L118 WeakPolarHBondContact CD2-O 3.32Å; F95-L118 HydrophobicContact CE2-CD2 4.36Å; F95-L118 HydrophobicContact CE2-CG 4.26Å; F95-E120 HydrophobicContact CZ-CB 4.34Å; F95-E120 WeakPolarHBondContact CZ-OE2 3.45Å
96L98.7Very high98.1Very high27 Ų2767.3 Ų67.314%0.14138%0.375CS..  trans-103.7136.4174.4-57.7-178.1000109.3L94 D98 V104 A107 I117 L118 L119 E120L94-L96 HydrophobicContact CD1-CD2 4.25Å; L94-L96 HydrophobicContact CD2-CD2 4.17Å; L94-L96 HydrophobicContact CG-CD2 3.99Å; L94-L96 HydrophobicContact CG-CG 4.49Å; L96-D98 PolarHBondContact O-N 2.96Å; L96-V104 HydrophobicContact CD1-CB 4.35Å; L96-V104 HydrophobicContact CD1-CG1 3.96Å; L96-V104 HydrophobicContact CD1-CG2 4.29Å; L96-A107 HydrophobicContact CD1-CB 3.88Å; L96-A107 HydrophobicContact CD2-CB 4.31Å; L96-I117 HydrophobicContact CD1-CG2 3.77Å; L96-I117 HydrophobicContact CG-CG2 3.92Å; L96-L118 PolarHBondContact N-O 3.24Å; L96-L119 HydrophobicContact CB-CD2 4.34Å; L96-L119 HydrophobicContact CD1-CD2 3.84Å; L96-L119 HydrophobicContact CG-CD2 4.46Å; L96-E120 WeakPolarHBondContact O-CB 3.46Å; L96-E120 PolarHBondContact O-N 3.02Å; L96-E120 VanDerWaalsContact O-N 3.08Å
97K98.4Very high98.1Very high180 Ų18064.2 Ų64.278%0.78337%0.368SS*.SBendtrans-78.81.1-176.2-65.4-176.3178.3-179.40114.2F95 E120F95-K97 HydrophobicContact CE1-CG 4.43Å; K97-E120 VanDerWaalsContact C-CB 3.47Å; K97-E120 WeakPolarHBondContact O-CB 3.4Å
98D98.7Very high98.2Very high65 Ų6559.9 Ų59.935%0.34834%0.337SS..  trans-138.9170.7170.9-150.8-31.9000108.5L96 V104 E120 H125L96-D98 PolarHBondContact O-N 2.96Å; D98-V104 HydrophobicContact CB-CG2 3.99Å; D98-V104 WeakPolarHBondContact O-CG2 3.45Å; D98-E120 PolarHBondContact O-N 3.03Å; D98-H125 IonicContact OD1-CD2 3.17Å; D98-H125 IonicContact OD1-CE1 2.71Å; D98-H125 PolarHBondContact OD1-CE1 3.1Å; D98-H125 IonicContact OD1-NE2 3.05Å; D98-H125 PolarHBondContact OD1-NE2 2.91Å
99C98.7Very high98.2Very high0 Ų060.2 Ų60.20%035%0.347CS..SBendtrans-116.5-8.3179.262.60000114.5L119 L122 H125C99-L119 HydrophobicContact CB-CB 3.82Å; C99-L119 HydrophobicContact CB-CD1 4.04Å; C99-L122 HydrophobicContact CB-CD2 3.33Å; C99-L122 WeakPolarHBondContact SG-CD2 3.37Å; C99-H125 PolarHBondContact SG-CD2 3.2Å
100V98.6Very high98.2Very high19 Ų1964.5 Ų64.512%0.11537%0.37CS..SBendtrans-141.9174.7179.8-700000110.2V104 F150 S153 L154V100-V104 WeakPolarHBondContact O-CG2 3.23Å; V100-F150 HydrophobicContact CB-CD2 4.29Å; V100-F150 HydrophobicContact CB-CE2 4.33Å; V100-F150 HydrophobicContact CG1-CD2 3.62Å; V100-F150 HydrophobicContact CG1-CE2 3.53Å; V100-F150 HydrophobicContact CG1-CG 4.36Å; V100-F150 HydrophobicContact CG1-CZ 4.22Å; V100-F150 HydrophobicContact CG2-CD2 3.84Å; V100-F150 HydrophobicContact CG2-CE2 3.83Å; V100-S153 WeakPolarHBondContact CB-OG 3.37Å; V100-L154 HydrophobicContact CG1-CD2 3.74Å; V100-L154 HydrophobicContact CG1-CG 3.96Å
101G98.3Very high98.2Very high31 Ų3161.8 Ų61.832%0.3234%0.339SS..SBendtrans92171.3175.800000114E103 V104 E105 S153G101-E103 VanDerWaalsContact C-N 3.34Å; G101-E103 PolarHBondContact O-N 3.22Å; G101-V104 PolarHBondContact O-N 3.13Å; G101-E105 WeakPolarHBondContact O-CB 3.09Å; G101-E105 VanDerWaalsContact O-CG 3.3Å; G101-E105 WeakPolarHBondContact O-CG 3.37Å; G101-E105 PolarHBondContact O-N 3.5Å; G101-S153 PolarHBondContact N-OG 3.48Å
102A98.2Very high98.3Very high67 Ų6760.9 Ų60.955%0.55435%0.347SS*.Hα-helixtrans-59.2-38.9-166.400000113.8N106A102-N106 VanDerWaalsContact O-CB 3.28Å; A102-N106 WeakPolarHBondContact O-CB 3.42Å; A102-N106 PolarHBondContact O-N 3.37Å; A102-N106 PolarHBondContact O-ND2 3.21Å; A102-N106 VanDerWaalsContact O-ND2 3.14Å
103E98Very high98.4Very high173 Ų17361 Ų6181%0.80835%0.354SS*.Hα-helixtrans-64.9-44.8178.7-65.3-176178.300111.9G101 N106 A107G101-E103 VanDerWaalsContact C-N 3.34Å; G101-E103 PolarHBondContact O-N 3.22Å; E103-N106 PolarHBondContact O-N 3.07Å; E103-A107 WeakPolarHBondContact O-CB 3.46Å; E103-A107 PolarHBondContact O-N 2.81Å
104V98.6Very high98.3Very high6 Ų660.7 Ų60.74%0.03636%0.356CS..Hα-helixtrans-67.1-44.2177.4176.90000110.9L96 D98 V100 G101 N106 A107 C108 L119 L157L96-V104 HydrophobicContact CD1-CB 4.35Å; L96-V104 HydrophobicContact CD1-CG1 3.96Å; L96-V104 HydrophobicContact CD1-CG2 4.29Å; D98-V104 HydrophobicContact CB-CG2 3.99Å; D98-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 WeakPolarHBondContact O-CG2 3.23Å; G101-V104 PolarHBondContact O-N 3.13Å; V104-N106 PolarHBondContact O-N 2.78Å; V104-A107 PolarHBondContact O-N 3.22Å; V104-C108 WeakPolarHBondContact O-CB 3.46Å; V104-C108 PolarHBondContact O-N 2.8Å; V104-C108 PolarHBondContact O-SG 2.99Å; V104-L119 HydrophobicContact CG1-CD2 3.72Å; V104-L157 HydrophobicContact CG1-CD1 4.04Å; V104-L157 HydrophobicContact CG1-CD2 4.01Å
105E98.7Very high98.3Very high40 Ų4057.7 Ų57.719%0.18734%0.343CS..Hα-helixtrans-58.8-46.3176.8-72.3176.7-164.500111.3G101 C108 A109 S153 K156 L157G101-E105 WeakPolarHBondContact O-CB 3.09Å; G101-E105 VanDerWaalsContact O-CG 3.3Å; G101-E105 WeakPolarHBondContact O-CG 3.37Å; G101-E105 PolarHBondContact O-N 3.5Å; E105-C108 CarbonylContact O-C 3.52Å; E105-C108 PolarHBondContact O-N 3.31Å; E105-A109 WeakPolarHBondContact O-CB 3.26Å; E105-A109 PolarHBondContact O-N 3.25Å; E105-S153 WeakPolarHBondContact OE1-CA 3.45Å; E105-S153 WeakPolarHBondContact OE1-CB 3.2Å; E105-S153 PolarHBondContact OE1-OG 3.42Å; E105-K156 VanDerWaalsContact CD-NZ 3.3Å; E105-K156 HydrophobicContact CG-CB 4.39Å; E105-K156 HydrophobicContact CG-CD 4.06Å; E105-K156 WeakPolarHBondContact OE1-CD 3.47Å; E105-K156 IonicContact OE1-NZ 3.89Å; E105-K156 PolarHBondContact OE1-NZ 3.04Å; E105-K156 WeakPolarHBondContact OE2-CD 3.48Å; E105-K156 IonicContact OE2-NZ 2.69Å; E105-K156 PolarHBondContact OE2-NZ 2.76Å; E105-L157 HydrophobicContact CB-CD2 4.44Å; E105-L157 HydrophobicContact CG-CD2 3.97Å
106N98.4Very high98.3Very high122 Ų12256 Ų5665%0.65234%0.336SS*.Hα-helixtrans-63.3-43.3177.9-73.4-23.7000112A102 E103 V104 C108 A109A102-N106 VanDerWaalsContact O-CB 3.28Å; A102-N106 WeakPolarHBondContact O-CB 3.42Å; A102-N106 PolarHBondContact O-N 3.37Å; A102-N106 PolarHBondContact O-ND2 3.21Å; A102-N106 VanDerWaalsContact O-ND2 3.14Å; E103-N106 PolarHBondContact O-N 3.07Å; V104-N106 PolarHBondContact O-N 2.78Å; N106-C108 PolarHBondContact O-N 2.82Å; N106-A109 PolarHBondContact O-N 2.82Å
107A98.4Very high98.3Very high36 Ų3654.8 Ų54.830%0.29833%0.33SS..Hα-helixtrans-62.2-33.1176.500000112.5L96 E103 V104L96-A107 HydrophobicContact CD1-CB 3.88Å; L96-A107 HydrophobicContact CD2-CB 4.31Å; E103-A107 WeakPolarHBondContact O-CB 3.46Å; E103-A107 PolarHBondContact O-N 2.81Å; V104-A107 PolarHBondContact O-N 3.22Å
108C98.4Very high98.4Very high0 Ų046.2 Ų46.20%029%0.292CS..Hα-helixtrans-93.1-9.4-179.3-59.50000113.8R18 V59 V104 E105 N106 P111 L157R18-C108 WeakPolarHBondContact CD-O 3.35Å; R18-C108 PolarHBondContact NH1-O 3.42Å; V59-C108 HydrophobicContact CG2-CB 4.34Å; V104-C108 WeakPolarHBondContact O-CB 3.46Å; V104-C108 PolarHBondContact O-N 2.8Å; V104-C108 PolarHBondContact O-SG 2.99Å; E105-C108 CarbonylContact O-C 3.52Å; E105-C108 PolarHBondContact O-N 3.31Å; N106-C108 PolarHBondContact O-N 2.82Å; C108-P111 WeakPolarHBondContact O-CD 3.39Å; C108-L157 HydrophobicContact CB-CB 4.11Å; C108-L157 HydrophobicContact CB-CD2 3.96Å
109A98.3Very high98.4Very high53 Ų5343.1 Ų43.144%0.43828%0.276SS..Hα-helixtrans-64.6-46.7-173.400000112.5R18 E105 N106R18-A109 WeakPolarHBondContact CD-O 3.46Å; E105-A109 WeakPolarHBondContact O-CB 3.26Å; E105-A109 PolarHBondContact O-N 3.25Å; N106-A109 PolarHBondContact O-N 2.82Å
110N97.4Very high98.4Very high117 Ų11743.5 Ų43.563%0.62628%0.277SS*.SBendtrans-150.259.9-176.3-17130.2000112.7K56K56-N110 WeakPolarHBondContact CE-OD1 3.45Å; K56-N110 PolarHBondContact NZ-OD1 2.99Å
111P97.7Very high98.4Very high16 Ų1642.6 Ų42.610%0.10427%0.272CS..PPolyproline II helixtrans-69164.3-179.731.9-38.9000112K56 A57 C108 I117K56-P111 WeakPolarHBondContact CE-O 3.41Å; A57-P111 HydrophobicContact CB-CB 4.37Å; A57-P111 HydrophobicContact CB-CG 3.42Å; A57-P111 VanDerWaalsContact CB-CG 3.42Å; C108-P111 WeakPolarHBondContact O-CD 3.39Å; P111-I117 HydrophobicContact CB-CD1 4.37Å
112A98.1Very high98.4Very high65 Ų6541.1 Ų41.154%0.53726%0.257SS..PPolyproline II helixtrans-59144173.900000110.9K56 G114 S115K56-A112 VanDerWaalsContact O-O 3.1Å; A112-G114 PolarHBondContact O-N 3.19Å; A112-S115 VanDerWaalsContact O-CB 3.28Å; A112-S115 WeakPolarHBondContact O-CB 3.26Å; A112-S115 PolarHBondContact O-N 3.41Å; A112-S115 VanDerWaalsContact O-N 3.12Å; A112-S115 PolarHBondContact O-OG 3.22Å
113P98.1Very high98.4Very high115 Ų11538.5 Ų38.575%0.74723%0.233SC*.THydrogen-bonded Turntrans-52.5137.6177.9-27.935.7000113.5K56 S115K56-P113 CarbonylContact O-C 3.44Å; K56-P113 WeakPolarHBondContact O-CA 3.16Å; P113-S115 VanDerWaalsContact C-N 3.3Å; P113-S115 PolarHBondContact O-N 2.63Å
114G97.8Very high98.5Very high16 Ų1630.9 Ų30.917%0.16520%0.197CC..THydrogen-bonded Turntrans73.911.4-176.800000114.9L51 A55 K56 K91 A112L51-G114 WeakPolarHBondContact CD2-O 3.42Å; A55-G114 PolarHBondContact O-N 2.96Å; K56-G114 PolarHBondContact O-N 3.03Å; K91-G114 VanDerWaalsContact CE-O 3.27Å; K91-G114 WeakPolarHBondContact CE-O 3.31Å; K91-G114 PolarHBondContact NZ-O 3.38Å; A112-G114 PolarHBondContact O-N 3.19Å
115S98.6Very high98.5Very high26 Ų2632.6 Ų32.618%0.18220%0.204CC..EExtended strand (participates in β ladder)trans-62142.5179.2-68.90000112.3K56 A57 V58 A112 P113K56-S115 PolarHBondContact O-N 3.32Å; A57-S115 CarbonylContact C-O 3.4Å; A57-S115 VanDerWaalsContact CA-O 3.23Å; A57-S115 WeakPolarHBondContact CA-O 3.49Å; V58-S115 PolarHBondContact N-O 3.17Å; A112-S115 VanDerWaalsContact O-CB 3.28Å; A112-S115 WeakPolarHBondContact O-CB 3.26Å; A112-S115 PolarHBondContact O-N 3.41Å; A112-S115 VanDerWaalsContact O-N 3.12Å; A112-S115 PolarHBondContact O-OG 3.22Å; P113-S115 VanDerWaalsContact C-N 3.3Å; P113-S115 PolarHBondContact O-N 2.63Å
116V98.8Very high98.5Very high3 Ų331.7 Ų31.72%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-119.1122.8171.1-174.80000108L51 V58 L60 L85 L89 K91 I93 L94L51-V116 HydrophobicContact CD1-CG2 3.9Å; L51-V116 HydrophobicContact CD2-CG2 3.98Å; L51-V116 HydrophobicContact CG-CG2 4.48Å; V58-V116 WeakPolarHBondContact O-CA 3.35Å; L60-V116 HydrophobicContact CD1-CG1 4.13Å; L85-V116 HydrophobicContact CD2-CG1 4.38Å; L89-V116 HydrophobicContact CD1-CG1 4.42Å; K91-V116 HydrophobicContact CD-CG2 4.31Å; I93-V116 HydrophobicContact CD1-CB 3.88Å; I93-V116 HydrophobicContact CD1-CG1 3.64Å; L94-V116 PolarHBondContact N-O 2.91Å
117I98.9Very high98.5Very high1 Ų127.5 Ų27.51%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-122.2128.9-175.1-52.4180000107.6V58 V59 L60 L94 L96 P111 L119V58-I117 PolarHBondContact O-N 3.23Å; V59-I117 HydrophobicContact CG2-CB 4.43Å; V59-I117 HydrophobicContact CG2-CD1 4.3Å; L60-I117 PolarHBondContact N-O 3.1Å; L94-I117 HydrophobicContact CB-CG1 4.26Å; L94-I117 HydrophobicContact CB-CG2 4.49Å; L94-I117 HydrophobicContact CD2-CD1 4.3Å; L94-I117 HydrophobicContact CD2-CG1 4.23Å; L94-I117 HydrophobicContact CD2-CG2 4.47Å; L94-I117 HydrophobicContact CG-CG2 4.42Å; L94-I117 CarbonylContact O-C 3.6Å; L94-I117 VanDerWaalsContact O-CA 3.29Å; L94-I117 WeakPolarHBondContact O-CA 3.49Å; L94-I117 WeakPolarHBondContact O-CG2 3.46Å; L96-I117 HydrophobicContact CD1-CG2 3.77Å; L96-I117 HydrophobicContact CG-CG2 3.92Å; P111-I117 HydrophobicContact CB-CD1 4.37Å; I117-L119 HydrophobicContact CG2-CD2 4.17Å
118L98.9Very high98.5Very high0 Ų025.9 Ų25.90%016%0.164CC..EExtended strand (participates in β ladder)trans-108.7121.4169.9178.761000109F25 L60 L78 V81 A82 I93 L94 F95 L96F25-L118 HydrophobicContact CD2-CD1 4.1Å; F25-L118 HydrophobicContact CE2-CD1 4.07Å; L60-L118 HydrophobicContact CB-CD1 3.78Å; L78-L118 HydrophobicContact CB-CD2 4.25Å; V81-L118 HydrophobicContact CB-CD2 4.21Å; V81-L118 HydrophobicContact CG1-CD2 4.18Å; A82-L118 HydrophobicContact CB-CD2 3.88Å; I93-L118 HydrophobicContact CG2-CB 3.87Å; L94-L118 PolarHBondContact O-N 2.83Å; F95-L118 WeakPolarHBondContact CA-O 3.5Å; F95-L118 HydrophobicContact CD2-CB 4.16Å; F95-L118 HydrophobicContact CD2-CD2 4.12Å; F95-L118 HydrophobicContact CD2-CG 4Å; F95-L118 WeakPolarHBondContact CD2-O 3.32Å; F95-L118 HydrophobicContact CE2-CD2 4.36Å; F95-L118 HydrophobicContact CE2-CG 4.26Å; L96-L118 PolarHBondContact N-O 3.24Å
119L98.9Very high98.5Very high0 Ų027.6 Ų27.60%017%0.172CC..  trans-79.7158.5173.5-54.1-173.8000111V59 L60 M61 L96 C99 V104 I117 L157V59-L119 HydrophobicContact CG1-CD1 3.94Å; V59-L119 HydrophobicContact CG1-CD2 3.96Å; V59-L119 HydrophobicContact CG1-CG 3.9Å; L60-L119 WeakPolarHBondContact O-CG 3.49Å; L60-L119 PolarHBondContact O-N 2.98Å; M61-L119 HydrophobicContact CB-CD1 4.11Å; L96-L119 HydrophobicContact CB-CD2 4.34Å; L96-L119 HydrophobicContact CD1-CD2 3.84Å; L96-L119 HydrophobicContact CG-CD2 4.46Å; C99-L119 HydrophobicContact CB-CB 3.82Å; C99-L119 HydrophobicContact CB-CD1 4.04Å; V104-L119 HydrophobicContact CG1-CD2 3.72Å; I117-L119 HydrophobicContact CG2-CD2 4.17Å; L119-L157 HydrophobicContact CD1-CD1 3.51Å
120E98.9Very high98.5Very high7 Ų726 Ų263%0.03316%0.162CC..  trans-66.6166.4171.3-171.353.7-73.600111.9S77 L78 F95 L96 K97 D98 L122 F124S77-E120 WeakPolarHBondContact CA-OE1 3.45Å; S77-E120 VanDerWaalsContact CB-OE2 3.27Å; S77-E120 WeakPolarHBondContact CB-OE2 3.42Å; S77-E120 PolarHBondContact OG-OE1 3.25Å; S77-E120 PolarHBondContact OG-OE2 2.9Å; L78-E120 PolarHBondContact N-OE1 2.71Å; F95-E120 HydrophobicContact CZ-CB 4.34Å; F95-E120 WeakPolarHBondContact CZ-OE2 3.45Å; L96-E120 WeakPolarHBondContact O-CB 3.46Å; L96-E120 PolarHBondContact O-N 3.02Å; L96-E120 VanDerWaalsContact O-N 3.08Å; K97-E120 VanDerWaalsContact C-CB 3.47Å; K97-E120 WeakPolarHBondContact O-CB 3.4Å; D98-E120 PolarHBondContact O-N 3.03Å; E120-L122 PolarHBondContact O-N 3.03Å; E120-F124 HydrophobicContact CG-CD2 3.63Å; E120-F124 HydrophobicContact CG-CE2 3.58Å
121N98.8Very high98.5Very high1 Ų127.7 Ų27.71%0.00516%0.163CC..  trans-52.7113.7-178.3-171.9-14000113.1H63 L64 Y76 L78 R123 F124H63-N121 VanDerWaalsContact CA-OD1 3.26Å; H63-N121 WeakPolarHBondContact CA-OD1 3.21Å; L64-N121 PolarHBondContact N-ND2 3.25Å; L64-N121 PolarHBondContact N-OD1 2.98Å; L64-N121 PolarHBondContact O-ND2 2.96Å; Y76-N121 PolarHBondContact O-ND2 2.99Å; L78-N121 HydrophobicContact CD1-CB 4.41Å; L78-N121 HydrophobicContact CG-CB 4.39Å; N121-R123 PolarHBondContact O-N 3.43Å; N121-R123 VanDerWaalsContact O-N 3.1Å; N121-R123 PolarHBondContact OD1-N 3.26Å; N121-R123 VanDerWaalsContact OD1-N 3.1Å; N121-F124 HydrophobicContact CB-CD1 4.02Å; N121-F124 HydrophobicContact CB-CD2 4.14Å; N121-F124 HydrophobicContact CB-CE1 3.95Å; N121-F124 HydrophobicContact CB-CE2 4.08Å; N121-F124 HydrophobicContact CB-CG 4.1Å; N121-F124 HydrophobicContact CB-CZ 3.98Å; N121-F124 WeakPolarHBondContact O-CB 3.14Å; N121-F124 PolarHBondContact O-N 3.3Å
122L98.9Very high98.4Very high0 Ų027.6 Ų27.60%017%0.166CC..G310 helixtrans-58.4-30-179-67.9-158.7000113.5R22 M61 S62 C99 E120 F124 H125 E128 F150 L154R22-L122 VanDerWaalsContact NH2-CD1 3.33Å; M61-L122 HydrophobicContact CB-CD1 4.24Å; M61-L122 HydrophobicContact CB-CD2 4.11Å; M61-L122 HydrophobicContact CB-CG 4.28Å; M61-L122 HydrophobicContact SD-CD1 3.87Å; S62-L122 WeakPolarHBondContact O-CB 3.4Å; S62-L122 WeakPolarHBondContact O-CG 3.14Å; S62-L122 PolarHBondContact O-N 3.2Å; C99-L122 HydrophobicContact CB-CD2 3.33Å; C99-L122 WeakPolarHBondContact SG-CD2 3.37Å; E120-L122 PolarHBondContact O-N 3.03Å; L122-F124 PolarHBondContact O-N 3.44Å; L122-H125 PolarHBondContact O-N 2.89Å; L122-H125 VanDerWaalsContact O-N 3.11Å; L122-E128 HydrophobicContact CB-CB 4.26Å; L122-E128 HydrophobicContact CB-CG 3.93Å; L122-E128 WeakPolarHBondContact O-CB 3.48Å; L122-F150 HydrophobicContact CD2-CZ 4.34Å; L122-L154 HydrophobicContact CD1-CD1 4.41Å; L122-L154 HydrophobicContact CD2-CD2 4.13Å
123R98.7Very high98.3Very high12 Ų1228.6 Ų28.65%0.04516%0.159CC..G310 helixtrans-76-1.6-178.7-71.4-173.5176.115012.9113.5H63 G65 P67 G69 N121 H125 E128 E129H63-R123 HydrophobicContact CB-CG 3.88Å; H63-R123 PolarHBondContact CD2-NH1 3.11Å; H63-R123 PolarHBondContact NE2-NH1 3.26Å; H63-R123 PolarHBondContact NE2-NH2 2.99Å; G65-R123 PolarHBondContact O-NH1 2.94Å; P67-R123 HydrophobicContact CG-CB 3.51Å; P67-R123 WeakPolarHBondContact CG-O 3.33Å; G69-R123 WeakPolarHBondContact CA-O 3.35Å; G69-R123 PolarHBondContact N-O 3.21Å; N121-R123 PolarHBondContact O-N 3.43Å; N121-R123 VanDerWaalsContact O-N 3.1Å; N121-R123 PolarHBondContact OD1-N 3.26Å; N121-R123 VanDerWaalsContact OD1-N 3.1Å; R123-H125 PolarHBondContact O-N 3.38Å; R123-E128 HydrophobicContact CG-CG 4.04Å; R123-E129 WeakPolarHBondContact CD-OE2 3.41Å; R123-E129 HydrophobicContact CG-CG 4Å; R123-E129 IonicContact CZ-OE1 3.57Å; R123-E129 IonicContact NE-OE1 3.74Å; R123-E129 PolarHBondContact NE-OE1 3.38Å; R123-E129 IonicContact NE-OE2 3.98Å; R123-E129 IonicContact NH2-OE1 2.67Å
124F98.7Very high97.9Very high13 Ų1325.2 Ų25.26%0.05714%0.135CC..G310 helixtrans-65.7-18.8163.9-70.3-6.5000112.1P67 G69 P71 M72 E120 N121 L122P67-F124 HydrophobicContact CB-CD1 3.66Å; P67-F124 HydrophobicContact CB-CE1 3.79Å; P67-F124 HydrophobicContact CG-CD1 3.72Å; P67-F124 HydrophobicContact CG-CE1 4.01Å; G69-F124 CarbonylContact C-O 3.59Å; G69-F124 VanDerWaalsContact C-O 3.25Å; P71-F124 HydrophobicContact CB-CB 4.38Å; P71-F124 HydrophobicContact CB-CD2 4.35Å; P71-F124 HydrophobicContact CB-CG 4.36Å; P71-F124 HydrophobicContact CG-CB 4.32Å; M72-F124 VanDerWaalsContact C-CZ 3.43Å; M72-F124 HydrophobicContact CB-CE1 4.11Å; M72-F124 VanDerWaalsContact N-CE1 3.33Å; M72-F124 WeakPolarHBondContact O-CZ 3.31Å; E120-F124 HydrophobicContact CG-CD2 3.63Å; E120-F124 HydrophobicContact CG-CE2 3.58Å; N121-F124 HydrophobicContact CB-CD1 4.02Å; N121-F124 HydrophobicContact CB-CD2 4.14Å; N121-F124 HydrophobicContact CB-CE1 3.95Å; N121-F124 HydrophobicContact CB-CE2 4.08Å; N121-F124 HydrophobicContact CB-CG 4.1Å; N121-F124 HydrophobicContact CB-CZ 3.98Å; N121-F124 WeakPolarHBondContact O-CB 3.14Å; N121-F124 PolarHBondContact O-N 3.3Å; L122-F124 PolarHBondContact O-N 3.44Å
125H98.6Very high97.5Very high41 Ų4130.1 Ų30.119%0.1916%0.164CC..SBendtrans-103.7126.7174.5-63.1-90000109.8D98 C99 L122 R123 E127 E128 F150D98-H125 IonicContact OD1-CD2 3.17Å; D98-H125 IonicContact OD1-CE1 2.71Å; D98-H125 PolarHBondContact OD1-CE1 3.1Å; D98-H125 IonicContact OD1-NE2 3.05Å; D98-H125 PolarHBondContact OD1-NE2 2.91Å; C99-H125 PolarHBondContact SG-CD2 3.2Å; L122-H125 PolarHBondContact O-N 2.89Å; L122-H125 VanDerWaalsContact O-N 3.11Å; R123-H125 PolarHBondContact O-N 3.38Å; H125-E127 WeakPolarHBondContact CB-OE2 3.34Å; H125-E127 PolarHBondContact O-N 3.19Å; H125-E128 PolarHBondContact O-N 2.91Å; H125-F150 HydrophobicContact CB-CD2 4.04Å; H125-F150 HydrophobicContact CB-CE2 3.47Å; H125-F150 VanDerWaalsContact CB-CE2 3.47Å; H125-F150 HydrophobicContact CB-CZ 4Å; H125-F150 AromaticContact CD2-CE2 3.83Å; H125-F150 AromaticContact CG-CE2 3.54Å
126V98.4Very high97.2Very high22 Ų2233.5 Ų33.513%0.13319%0.187CC..Hα-helixtrans-62.9-25.1179.764.30000111.8E128 E129 G130 I140 A142V126-E128 PolarHBondContact O-N 2.88Å; V126-E129 PolarHBondContact O-N 3.34Å; V126-G130 WeakPolarHBondContact O-CA 3.34Å; V126-G130 PolarHBondContact O-N 3.04Å; V126-I140 HydrophobicContact CB-CD1 3.93Å; V126-I140 HydrophobicContact CG2-CD1 3.65Å; V126-I140 HydrophobicContact CG2-CG1 3.82Å; V126-A142 HydrophobicContact CG1-CB 3.99Å; V126-A142 HydrophobicContact CG2-CB 4.26Å
127E98.7Very high96.9Very high34 Ų3435.1 Ų35.116%0.15920%0.204CC..Hα-helixtrans-64.1-21.9178.5-64.776.7-169.900113.2H125 A142 K146 I147 F150 S174H125-E127 WeakPolarHBondContact CB-OE2 3.34Å; H125-E127 PolarHBondContact O-N 3.19Å; E127-A142 HydrophobicContact CG-CB 4.29Å; E127-K146 HydrophobicContact CG-CB 3.93Å; E127-I147 HydrophobicContact CB-CG1 4.4Å; E127-I147 HydrophobicContact CG-CG1 4.48Å; E127-F150 HydrophobicContact CB-CB 3.58Å; E127-F150 HydrophobicContact CB-CD1 3.9Å; E127-F150 HydrophobicContact CB-CD2 4.08Å; E127-F150 HydrophobicContact CB-CG 3.59Å; E127-F150 HydrophobicContact CG-CB 3.97Å; E127-F150 HydrophobicContact CG-CG 4.38Å; E127-S174 WeakPolarHBondContact O-CB 3.4Å; E127-S174 PolarHBondContact O-OG 2.77Å
128E98.8Very high96.7Very high1 Ų142 Ų421%0.00523%0.234CC..Hα-helixtrans-66.7-51.1175.3167.660.4178.800111.2R22 L122 R123 H125 V126 F150 H173 S174 S175R22-E128 IonicContact CZ-OE1 3.41Å; R22-E128 IonicContact NH2-OE1 2.72Å; R22-E128 PolarHBondContact NH2-OE1 3.13Å; L122-E128 HydrophobicContact CB-CB 4.26Å; L122-E128 HydrophobicContact CB-CG 3.93Å; L122-E128 WeakPolarHBondContact O-CB 3.48Å; R123-E128 HydrophobicContact CG-CG 4.04Å; H125-E128 PolarHBondContact O-N 2.91Å; V126-E128 PolarHBondContact O-N 2.88Å; E128-F150 HydrophobicContact CB-CE1 4.17Å; E128-F150 HydrophobicContact CB-CZ 4.35Å; E128-H173 CarbonylContact O-C 3.59Å; E128-H173 VanDerWaalsContact O-CA 3.25Å; E128-H173 WeakPolarHBondContact O-CA 3.39Å; E128-H173 WeakPolarHBondContact O-CB 3.22Å; E128-H173 IonicContact OE1-ND1 3.29Å; E128-S174 PolarHBondContact O-N 3.01Å; E128-S175 VanDerWaalsContact CD-OG 3.23Å; E128-S175 PolarHBondContact OE1-OG 2.88Å; E128-S175 WeakPolarHBondContact OE2-CB 3.35Å; E128-S175 PolarHBondContact OE2-N 2.93Å; E128-S175 PolarHBondContact OE2-OG 3.23Å; E128-S175 VanDerWaalsContact OE2-OG 3.06Å
129E98.3Very high96.5Very high36 Ų3650.8 Ų50.817%0.16827%0.272CS..Hα-helixtrans-93.9-11.6-178.4-52.3-16395.500112.9R123 V126 K131 R171 H173R123-E129 WeakPolarHBondContact CD-OE2 3.41Å; R123-E129 HydrophobicContact CG-CG 4Å; R123-E129 IonicContact CZ-OE1 3.57Å; R123-E129 IonicContact NE-OE1 3.74Å; R123-E129 PolarHBondContact NE-OE1 3.38Å; R123-E129 IonicContact NE-OE2 3.98Å; R123-E129 IonicContact NH2-OE1 2.67Å; V126-E129 PolarHBondContact O-N 3.34Å; E129-K131 PolarHBondContact O-N 2.58Å; E129-R171 IonicContact OE1-NH1 3.88Å; E129-H173 VanDerWaalsContact CG-CE1 3.49Å; E129-H173 WeakPolarHBondContact CG-CE1 3.02Å; E129-H173 IonicContact OE1-CE1 3.52Å; E129-H173 PolarHBondContact OE1-CE1 3.19Å; E129-H173 IonicContact OE1-NE2 2.86Å
130G97.9Very high96.4Very high21 Ų2153.2 Ų53.222%0.21629%0.285CS..SBendtrans74.6-4.3-175.400000114.2V126 A142V126-G130 WeakPolarHBondContact O-CA 3.34Å; V126-G130 PolarHBondContact O-N 3.04Å; G130-A142 PolarHBondContact O-N 2.92Å
131K97.1Very high96.3Very high151 Ų15161.2 Ų61.266%0.65732%0.319SS*.EExtended strand (participates in β ladder)trans-157158.6-179.265.3-175.6179-175.50110E129 I140E129-K131 PolarHBondContact O-N 2.58Å; K131-I140 CarbonylContact C-O 3.39Å; K131-I140 VanDerWaalsContact CA-O 3.26Å; K131-I140 WeakPolarHBondContact CA-O 3.49Å
132G96.1Very high96.2Very high15 Ų1561.5 Ų61.516%0.15532%0.322CS..EExtended strand (participates in β ladder)trans-166.4-161.3-178.400000112.4D68 K139 I140D68-G132 CarbonylContact O-C 3.57Å; D68-G132 WeakPolarHBondContact O-CA 3.48Å; G132-K139 WeakPolarHBondContact O-CA 3.45Å; G132-I140 PolarHBondContact N-O 2.86Å; G132-I140 PolarHBondContact O-N 3.42Å
133Q95.8Very high96.1Very high86 Ų8667.5 Ų67.540%0.40235%0.35SS..EExtended strand (participates in β ladder)trans-140.6130.7176.7-166.817532.600109.4D68 V70 G137 K138D68-Q133 HydrophobicContact CB-CB 4.06Å; D68-Q133 PolarHBondContact O-N 3.35Å; V70-Q133 VanDerWaalsContact CG2-O 3.31Å; V70-Q133 WeakPolarHBondContact CG2-O 3.44Å; Q133-G137 VanDerWaalsContact CG-C 3.42Å; Q133-G137 WeakPolarHBondContact CG-O 3.37Å; Q133-G137 VanDerWaalsContact NE2-C 3.3Å; Q133-G137 VanDerWaalsContact NE2-CA 3.28Å; Q133-G137 PolarHBondContact NE2-O 2.99Å; Q133-K138 CarbonylContact C-O 3.58Å; Q133-K138 WeakPolarHBondContact CA-O 3.37Å
134D90.4Very high96Very high44 Ų4471.2 Ų71.224%0.23538%0.376CS..  trans-75.4169.8175.576.414.2000111.7S136 G137 K138 I140D134-S136 VanDerWaalsContact CG-OG 3.31Å; D134-S136 PolarHBondContact O-N 3.42Å; D134-S136 WeakPolarHBondContact OD1-CA 3.43Å; D134-S136 WeakPolarHBondContact OD1-CB 3.45Å; D134-S136 PolarHBondContact OD1-N 2.95Å; D134-S136 PolarHBondContact OD1-OG 3.17Å; D134-S136 PolarHBondContact OD2-OG 3.18Å; D134-G137 PolarHBondContact O-N 3.3Å; D134-G137 PolarHBondContact OD1-N 3.41Å; D134-G137 VanDerWaalsContact OD1-N 3.13Å; D134-K138 PolarHBondContact N-O 2.91Å; D134-K138 WeakPolarHBondContact OD1-CB 3.44Å; D134-K138 PolarHBondContact OD1-N 3.19Å; D134-K138 WeakPolarHBondContact OD2-CB 3.5Å; D134-I140 HydrophobicContact CB-CG2 4.09Å
135P89.8Confident95.9Very high119 Ų11976.9 Ų76.977%0.77341%0.407SS*.THydrogen-bonded Turntrans-59.6-17.3179.5-26.636.4000115.2V70 G137V70-P135 HydrophobicContact CG1-CG 4.21Å; P135-G137 VanDerWaalsContact C-N 3.33Å
136S91.6Very high95.9Very high97 Ų9781.4 Ų81.468%0.67843%0.426SS*.THydrogen-bonded Turntrans-85.6-6.9175.7790000113.2D134D134-S136 VanDerWaalsContact CG-OG 3.31Å; D134-S136 PolarHBondContact O-N 3.42Å; D134-S136 WeakPolarHBondContact OD1-CA 3.43Å; D134-S136 WeakPolarHBondContact OD1-CB 3.45Å; D134-S136 PolarHBondContact OD1-N 2.95Å; D134-S136 PolarHBondContact OD1-OG 3.17Å; D134-S136 PolarHBondContact OD2-OG 3.18Å
137G92.1Very high95.9Very high36 Ų3681.9 Ų81.937%0.37143%0.427SS..SBendtrans90.46.4-175.500000113.8Q133 D134 P135Q133-G137 VanDerWaalsContact CG-C 3.42Å; Q133-G137 WeakPolarHBondContact CG-O 3.37Å; Q133-G137 VanDerWaalsContact NE2-C 3.3Å; Q133-G137 VanDerWaalsContact NE2-CA 3.28Å; Q133-G137 PolarHBondContact NE2-O 2.99Å; D134-G137 PolarHBondContact O-N 3.3Å; D134-G137 PolarHBondContact OD1-N 3.41Å; D134-G137 VanDerWaalsContact OD1-N 3.13Å; P135-G137 VanDerWaalsContact C-N 3.33Å
138K94.5Very high95.9Very high146 Ų14686.8 Ų86.864%0.63545%0.45SS*.  trans-81.9135.6179.4-175.1-175.5175.9-176.30110.2Q133 D134 I140Q133-K138 CarbonylContact C-O 3.58Å; Q133-K138 WeakPolarHBondContact CA-O 3.37Å; D134-K138 PolarHBondContact N-O 2.91Å; D134-K138 WeakPolarHBondContact OD1-CB 3.44Å; D134-K138 PolarHBondContact OD1-N 3.19Å; D134-K138 WeakPolarHBondContact OD2-CB 3.5Å; K138-I140 PolarHBondContact O-N 3.21Å
139K96.2Very high95.9Very high184 Ų18488.8 Ų88.880%0.847%0.471SS*.EExtended strand (participates in β ladder)trans-65129.9176.1-66.4-178.5-179.2175.20110.3G132G132-K139 WeakPolarHBondContact O-CA 3.45Å
140I95.5Very high95.9Very high52 Ų5287.6 Ų87.627%0.26747%0.465SS..EExtended strand (participates in β ladder)trans-110.6148.817256.8171.7000109.6V126 K131 G132 D134 K138V126-I140 HydrophobicContact CB-CD1 3.93Å; V126-I140 HydrophobicContact CG2-CD1 3.65Å; V126-I140 HydrophobicContact CG2-CG1 3.82Å; K131-I140 CarbonylContact C-O 3.39Å; K131-I140 VanDerWaalsContact CA-O 3.26Å; K131-I140 WeakPolarHBondContact CA-O 3.49Å; G132-I140 PolarHBondContact N-O 2.86Å; G132-I140 PolarHBondContact O-N 3.42Å; D134-I140 HydrophobicContact CB-CG2 4.09Å; K138-I140 PolarHBondContact O-N 3.21Å
141K96.8Very high96Very high174 Ų17490.1 Ų90.176%0.75747%0.468SS*.EExtended strand (participates in β ladder)trans-128.3135175.6-170.9-179.9177.8-172.30107.4
142A96.6Very high96Very high7 Ų785.2 Ų85.26%0.05846%0.456CS..  trans-74.7138.2177.500000110V126 E127 G130 I147V126-A142 HydrophobicContact CG1-CB 3.99Å; V126-A142 HydrophobicContact CG2-CB 4.26Å; E127-A142 HydrophobicContact CG-CB 4.29Å; G130-A142 PolarHBondContact O-N 2.92Å; A142-I147 HydrophobicContact CB-CD1 3.89Å; A142-I147 HydrophobicContact CB-CG1 3.64Å
143E96.9Very high96.2Very high127 Ų12784.9 Ų84.959%0.59345%0.451SS*.  trans-72.3142.3174.1-63.1-56.2145.500110.3D145 K146 I147E143-D145 VanDerWaalsContact C-N 3.31Å; E143-D145 PolarHBondContact O-N 3.23Å; E143-K146 HydrophobicContact CB-CB 4.42Å; E143-K146 HydrophobicContact CB-CG 4.09Å; E143-K146 WeakPolarHBondContact O-CB 3.23Å; E143-K146 PolarHBondContact O-N 2.82Å; E143-I147 PolarHBondContact O-N 3.3Å
144P97Very high96.3Very high90 Ų9080.8 Ų80.858%0.58443%0.432SS*.Hα-helixtrans-51.3-45.4-178.3-28.735.8000114K146 I147 E148P144-K146 VanDerWaalsContact C-N 3.27Å; P144-K146 PolarHBondContact O-N 3.38Å; P144-I147 WeakPolarHBondContact O-CB 3.28Å; P144-I147 PolarHBondContact O-N 3.47Å; P144-E148 PolarHBondContact O-N 3.08Å
145D97.6Very high96.7Very high132 Ų13279.4 Ų79.471%0.70643%0.426SS*.Hα-helixtrans-65.3-31.6-179.6-60.3-8.1000112.3E143 E148 G149E143-D145 VanDerWaalsContact C-N 3.31Å; E143-D145 PolarHBondContact O-N 3.23Å; D145-E148 PolarHBondContact O-N 3.5Å; D145-G149 PolarHBondContact O-N 2.58Å
146K98.2Very high97.1Very high135 Ų13579 Ų7959%0.58741%0.412SS*.Hα-helixtrans-72.7-40.5175.9-64.4-64.9-174.6179.90111.1E127 E143 P144 E148 G149 F150E127-K146 HydrophobicContact CG-CB 3.93Å; E143-K146 HydrophobicContact CB-CB 4.42Å; E143-K146 HydrophobicContact CB-CG 4.09Å; E143-K146 WeakPolarHBondContact O-CB 3.23Å; E143-K146 PolarHBondContact O-N 2.82Å; P144-K146 VanDerWaalsContact C-N 3.27Å; P144-K146 PolarHBondContact O-N 3.38Å; K146-E148 VanDerWaalsContact C-N 3.3Å; K146-E148 PolarHBondContact O-N 2.84Å; K146-G149 PolarHBondContact O-N 2.97Å; K146-F150 WeakPolarHBondContact O-CB 3.25Å; K146-F150 PolarHBondContact O-N 3.05Å
147I98.4Very high97.5Very high32 Ų3274.4 Ų74.416%0.16438%0.379CS..Hα-helixtrans-59.2-44.4172.4-64.5171.5000110.2E127 A142 E143 P144 F150 R151E127-I147 HydrophobicContact CB-CG1 4.4Å; E127-I147 HydrophobicContact CG-CG1 4.48Å; A142-I147 HydrophobicContact CB-CD1 3.89Å; A142-I147 HydrophobicContact CB-CG1 3.64Å; E143-I147 PolarHBondContact O-N 3.3Å; P144-I147 WeakPolarHBondContact O-CB 3.28Å; P144-I147 PolarHBondContact O-N 3.47Å; I147-F150 PolarHBondContact O-N 2.82Å; I147-R151 HydrophobicContact CG2-CG 4.46Å; I147-R151 VanDerWaalsContact CG2-NE 3.3Å; I147-R151 WeakPolarHBondContact O-CB 3.38Å; I147-R151 WeakPolarHBondContact O-CG 3.15Å; I147-R151 PolarHBondContact O-N 2.67Å
148E98.4Very high97.8Very high138 Ų13872.8 Ų72.865%0.64536%0.363SS*.Hα-helixtrans-62.9-48177-173.5174.7-178.400111.8P144 D145 K146 F150 R151 A152P144-E148 PolarHBondContact O-N 3.08Å; D145-E148 PolarHBondContact O-N 3.5Å; K146-E148 VanDerWaalsContact C-N 3.3Å; K146-E148 PolarHBondContact O-N 2.84Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-F150 PolarHBondContact O-N 3.12Å; E148-R151 PolarHBondContact O-N 3.29Å; E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 3.05Å
149G98.6Very high98Very high42 Ų4268.4 Ų68.443%0.43335%0.346SS..Hα-helixtrans-58.4-42.2176.100000113.1D145 K146 A152 S153D145-G149 PolarHBondContact O-N 2.58Å; K146-G149 PolarHBondContact O-N 2.97Å; G149-A152 PolarHBondContact O-N 2.8Å; G149-S153 PolarHBondContact O-N 2.91Å
150F98.8Very high98.1Very high11 Ų1159.9 Ų59.95%0.04831%0.31CS..Hα-helixtrans-62.2-47.9176-176.8-100.5000111.7V100 L122 H125 E127 E128 K146 I147 E148 A152 S153 L154V100-F150 HydrophobicContact CB-CD2 4.29Å; V100-F150 HydrophobicContact CB-CE2 4.33Å; V100-F150 HydrophobicContact CG1-CD2 3.62Å; V100-F150 HydrophobicContact CG1-CE2 3.53Å; V100-F150 HydrophobicContact CG1-CG 4.36Å; V100-F150 HydrophobicContact CG1-CZ 4.22Å; V100-F150 HydrophobicContact CG2-CD2 3.84Å; V100-F150 HydrophobicContact CG2-CE2 3.83Å; L122-F150 HydrophobicContact CD2-CZ 4.34Å; H125-F150 HydrophobicContact CB-CD2 4.04Å; H125-F150 HydrophobicContact CB-CE2 3.47Å; H125-F150 VanDerWaalsContact CB-CE2 3.47Å; H125-F150 HydrophobicContact CB-CZ 4Å; H125-F150 AromaticContact CD2-CE2 3.83Å; H125-F150 AromaticContact CG-CE2 3.54Å; E127-F150 HydrophobicContact CB-CB 3.58Å; E127-F150 HydrophobicContact CB-CD1 3.9Å; E127-F150 HydrophobicContact CB-CD2 4.08Å; E127-F150 HydrophobicContact CB-CG 3.59Å; E127-F150 HydrophobicContact CG-CB 3.97Å; E127-F150 HydrophobicContact CG-CG 4.38Å; E128-F150 HydrophobicContact CB-CE1 4.17Å; E128-F150 HydrophobicContact CB-CZ 4.35Å; K146-F150 WeakPolarHBondContact O-CB 3.25Å; K146-F150 PolarHBondContact O-N 3.05Å; I147-F150 PolarHBondContact O-N 2.82Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-F150 PolarHBondContact O-N 3.12Å; F150-A152 PolarHBondContact O-N 2.84Å; F150-S153 PolarHBondContact O-N 2.99Å; F150-L154 HydrophobicContact CD1-CD1 3.99Å; F150-L154 HydrophobicContact CE1-CD1 3.56Å; F150-L154 HydrophobicContact CE1-CG 4.25Å; F150-L154 HydrophobicContact CZ-CD1 4.15Å; F150-L154 WeakPolarHBondContact O-CG 3.49Å; F150-L154 PolarHBondContact O-N 2.74Å
151R98.8Very high98.3Very high74 Ų7457.5 Ų57.528%0.27930%0.297SS..Hα-helixtrans-62.5-40.9176.8-74.2172-179-166.21.4112.6I147 E148 S153 L154 S155 S174 G178I147-R151 HydrophobicContact CG2-CG 4.46Å; I147-R151 VanDerWaalsContact CG2-NE 3.3Å; I147-R151 WeakPolarHBondContact O-CB 3.38Å; I147-R151 WeakPolarHBondContact O-CG 3.15Å; I147-R151 PolarHBondContact O-N 2.67Å; E148-R151 PolarHBondContact O-N 3.29Å; R151-S153 VanDerWaalsContact C-N 3.34Å; R151-L154 PolarHBondContact O-N 2.95Å; R151-S155 WeakPolarHBondContact O-CB 3.4Å; R151-S155 PolarHBondContact O-N 3.2Å; R151-S155 PolarHBondContact O-OG 3.01Å; R151-S174 PolarHBondContact NE-OG 3.42Å; R151-G178 WeakPolarHBondContact CB-O 3.29Å
152A98.8Very high98.4Very high48 Ų4849.2 Ų49.240%0.39726%0.261SS..Hα-helixtrans-62.3-43.3175.900000110.9E148 G149 F150 S155 K156E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 3.05Å; G149-A152 PolarHBondContact O-N 2.8Å; F150-A152 PolarHBondContact O-N 2.84Å; A152-S155 PolarHBondContact O-N 3.28Å; A152-K156 WeakPolarHBondContact O-CG 3.43Å; A152-K156 PolarHBondContact O-N 2.97Å
153S98.8Very high98.5Very high8 Ų848.9 Ų48.96%0.05626%0.258CS..Hα-helixtrans-61.7-47.9176.3-1670000111.9V100 G101 E105 G149 F150 R151 S155 K156 L157V100-S153 WeakPolarHBondContact CB-OG 3.37Å; G101-S153 PolarHBondContact N-OG 3.48Å; E105-S153 WeakPolarHBondContact OE1-CA 3.45Å; E105-S153 WeakPolarHBondContact OE1-CB 3.2Å; E105-S153 PolarHBondContact OE1-OG 3.42Å; G149-S153 PolarHBondContact O-N 2.91Å; F150-S153 PolarHBondContact O-N 2.99Å; R151-S153 VanDerWaalsContact C-N 3.34Å; S153-S155 VanDerWaalsContact C-N 3.28Å; S153-S155 PolarHBondContact O-N 3.23Å; S153-K156 WeakPolarHBondContact O-CB 3.36Å; S153-K156 PolarHBondContact O-N 2.85Å; S153-K156 VanDerWaalsContact O-N 3.17Å; S153-L157 WeakPolarHBondContact O-CG 3.3Å
154L98.9Very high98.6Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-57.6-40.3174.4-67.7179.2000112.4I20 M61 V100 L122 F150 R151 K156 L157I20-L154 HydrophobicContact CD1-CB 4.39Å; I20-L154 WeakPolarHBondContact CD1-O 3.49Å; M61-L154 HydrophobicContact SD-CD1 4.33Å; M61-L154 HydrophobicContact SD-CD2 4.15Å; V100-L154 HydrophobicContact CG1-CD2 3.74Å; V100-L154 HydrophobicContact CG1-CG 3.96Å; L122-L154 HydrophobicContact CD1-CD1 4.41Å; L122-L154 HydrophobicContact CD2-CD2 4.13Å; F150-L154 HydrophobicContact CD1-CD1 3.99Å; F150-L154 HydrophobicContact CE1-CD1 3.56Å; F150-L154 HydrophobicContact CE1-CG 4.25Å; F150-L154 HydrophobicContact CZ-CD1 4.15Å; F150-L154 WeakPolarHBondContact O-CG 3.49Å; F150-L154 PolarHBondContact O-N 2.74Å; R151-L154 PolarHBondContact O-N 2.95Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.24Å; L154-L157 HydrophobicContact CD2-CD1 4.3Å; L154-L157 WeakPolarHBondContact O-CG 3.21Å; L154-L157 PolarHBondContact O-N 2.87Å
155S98.8Very high98.6Very high15 Ų1538.6 Ų38.611%0.10520%0.203CC..Hα-helixtrans-66.9-25.6-178.1-55.20000112.9R151 A152 S153 L157 N180R151-S155 WeakPolarHBondContact O-CB 3.4Å; R151-S155 PolarHBondContact O-N 3.2Å; R151-S155 PolarHBondContact O-OG 3.01Å; A152-S155 PolarHBondContact O-N 3.28Å; S153-S155 VanDerWaalsContact C-N 3.28Å; S153-S155 PolarHBondContact O-N 3.23Å; S155-L157 VanDerWaalsContact C-N 3.26Å; S155-L157 PolarHBondContact O-N 3.06Å; S155-N180 PolarHBondContact OG-N 3.41Å
156K98.8Very high98.5Very high111 Ų11132.3 Ų32.348%0.48317%0.169SC..Hα-helixtrans-72.3-18176.4-69.8169.3178.7174.50113.6R18 E105 A152 S153 L154 G158R18-K156 PolarHBondContact NH1-O 2.62Å; R18-K156 PolarHBondContact NH2-O 2.65Å; E105-K156 VanDerWaalsContact CD-NZ 3.3Å; E105-K156 HydrophobicContact CG-CB 4.39Å; E105-K156 HydrophobicContact CG-CD 4.06Å; E105-K156 WeakPolarHBondContact OE1-CD 3.47Å; E105-K156 IonicContact OE1-NZ 3.89Å; E105-K156 PolarHBondContact OE1-NZ 3.04Å; E105-K156 WeakPolarHBondContact OE2-CD 3.48Å; E105-K156 IonicContact OE2-NZ 2.69Å; E105-K156 PolarHBondContact OE2-NZ 2.76Å; A152-K156 WeakPolarHBondContact O-CG 3.43Å; A152-K156 PolarHBondContact O-N 2.97Å; S153-K156 WeakPolarHBondContact O-CB 3.36Å; S153-K156 PolarHBondContact O-N 2.85Å; S153-K156 VanDerWaalsContact O-N 3.17Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.24Å; K156-G158 VanDerWaalsContact C-N 3.26Å; K156-G158 PolarHBondContact O-N 3.27Å
157L98.8Very high98.3Very high0 Ų026.5 Ų26.50%015%0.148CC..THydrogen-bonded Turntrans-81.2-4.4-171.4-44.7-179.6000113.4I20 V59 V104 E105 C108 L119 S153 L154 S155I20-L157 HydrophobicContact CD1-CB 4.19Å; I20-L157 HydrophobicContact CD1-CD1 4.42Å; V59-L157 HydrophobicContact CG1-CB 4.32Å; V104-L157 HydrophobicContact CG1-CD1 4.04Å; V104-L157 HydrophobicContact CG1-CD2 4.01Å; E105-L157 HydrophobicContact CB-CD2 4.44Å; E105-L157 HydrophobicContact CG-CD2 3.97Å; C108-L157 HydrophobicContact CB-CB 4.11Å; C108-L157 HydrophobicContact CB-CD2 3.96Å; L119-L157 HydrophobicContact CD1-CD1 3.51Å; S153-L157 WeakPolarHBondContact O-CG 3.3Å; L154-L157 HydrophobicContact CD2-CD1 4.3Å; L154-L157 WeakPolarHBondContact O-CG 3.21Å; L154-L157 PolarHBondContact O-N 2.87Å; S155-L157 VanDerWaalsContact C-N 3.26Å; S155-L157 PolarHBondContact O-N 3.06Å
158G98.6Very high98.2Very high2 Ų225.2 Ų25.22%0.02114%0.141CC..  trans-149.6170177.400000112.6R18 K156 L181R18-G158 PolarHBondContact NH2-O 2.9Å; R18-G158 CarbonylContact O-C 3.57Å; R18-G158 WeakPolarHBondContact O-CA 3.11Å; K156-G158 VanDerWaalsContact C-N 3.26Å; K156-G158 PolarHBondContact O-N 3.27Å; G158-L181 WeakPolarHBondContact O-CD2 3.46Å
159D98.8Very high98.2Very high54 Ų5418.6 Ų18.629%0.28911%0.11SC..SBendtrans-103-25.8171.9-46.8-43.3000110.5K17 R18K17-D159 HydrophobicContact CB-CB 4.36Å; K17-D159 HydrophobicContact CD-CB 4.16Å; R18-D159 IonicContact CZ-OD1 2.7Å; R18-D159 PolarHBondContact N-OD2 3.46Å; R18-D159 IonicContact NE-OD1 3.61Å; R18-D159 PolarHBondContact NE-OD1 3.49Å; R18-D159 IonicContact NE-OD2 3.36Å; R18-D159 IonicContact NH2-OD1 2.73Å; R18-D159 PolarHBondContact NH2-OD1 2.61Å; R18-D159 PolarHBondContact O-N 3.26Å
160V98.8Very high98Very high5 Ų518.1 Ų18.13%0.0310%0.097CC..EExtended strand (participates in β ladder)trans-134149174.4-60.90000110.3L12 K17 R18 V19 I20 H183L12-V160 HydrophobicContact CD1-CB 4.35Å; L12-V160 HydrophobicContact CD1-CG1 4.13Å; L12-V160 HydrophobicContact CD2-CB 4.03Å; L12-V160 HydrophobicContact CD2-CG2 3.94Å; K17-V160 HydrophobicContact CB-CG2 4.42Å; R18-V160 PolarHBondContact O-N 2.85Å; V19-V160 HydrophobicContact CB-CG2 4.27Å; V19-V160 HydrophobicContact CG1-CG2 4.27Å; V19-V160 HydrophobicContact CG2-CG2 3.8Å; I20-V160 WeakPolarHBondContact CG2-O 3.23Å; I20-V160 PolarHBondContact N-O 2.86Å; V160-H183 HydrophobicContact CG1-CB 4.3Å
161Y98.9Very high97.9Very high2 Ų221.4 Ų21.41%0.00811%0.109CC..EExtended strand (participates in β ladder)trans-108.6135.4179.2171.5-111.3000111.4I20 R22 M61 N163 S175 V179 H183 K184 A185I20-Y161 HydrophobicContact CG2-CD2 4.24Å; I20-Y161 WeakPolarHBondContact O-CA 3.43Å; I20-Y161 WeakPolarHBondContact O-CD2 3.46Å; R22-Y161 HydrophobicContact CB-CE2 4.21Å; M61-Y161 HydrophobicContact CE-CD2 4.17Å; M61-Y161 HydrophobicContact CE-CE2 3.53Å; Y161-N163 HydrophobicContact CE1-CB 3.74Å; Y161-N163 WeakPolarHBondContact OH-CB 3.22Å; Y161-N163 VanDerWaalsContact OH-CG 3.29Å; Y161-N163 PolarHBondContact OH-ND2 2.83Å; Y161-S175 PolarHBondContact OH-O 2.97Å; Y161-V179 HydrophobicContact CD2-CB 4.12Å; Y161-V179 HydrophobicContact CD2-CG1 3.94Å; Y161-V179 HydrophobicContact CD2-CG2 4.14Å; Y161-V179 HydrophobicContact CE2-CB 4.45Å; Y161-V179 HydrophobicContact CE2-CG2 4.13Å; Y161-V179 HydrophobicContact CG-CB 4.26Å; Y161-V179 HydrophobicContact CG-CG1 4.03Å; Y161-H183 PolarHBondContact N-O 3.34Å; Y161-K184 HydrophobicContact CD1-CB 3.82Å; Y161-K184 HydrophobicContact CD1-CD 4.4Å; Y161-K184 HydrophobicContact CD1-CG 3.79Å; Y161-K184 HydrophobicContact CG-CG 4.42Å; Y161-K184 CarbonylContact O-C 3.49Å; Y161-K184 WeakPolarHBondContact O-CA 3.33Å; Y161-A185 PolarHBondContact O-N 3.16Å
162V98.9Very high97.8Very high0 Ų021 Ų210%012%0.121CC..EExtended strand (participates in β ladder)trans-122.5122.4173.1179.70000109.6L9 L12 V19 I20 M21 R22 A185L9-V162 HydrophobicContact CD1-CG2 3.84Å; L12-V162 HydrophobicContact CD2-CG2 3.96Å; V19-V162 HydrophobicContact CG1-CB 4.2Å; V19-V162 HydrophobicContact CG1-CG2 3.54Å; I20-V162 PolarHBondContact O-N 2.78Å; M21-V162 CarbonylContact C-O 3.58Å; M21-V162 WeakPolarHBondContact CA-O 3.28Å; M21-V162 HydrophobicContact CB-CB 4.22Å; M21-V162 HydrophobicContact CE-CB 4.16Å; M21-V162 HydrophobicContact CE-CG1 3.99Å; M21-V162 HydrophobicContact CG-CB 3.94Å; M21-V162 HydrophobicContact CG-CG1 3.98Å; M21-V162 HydrophobicContact SD-CG1 4.44Å; R22-V162 PolarHBondContact N-O 2.71Å; V162-A185 CarbonylContact C-O 3.57Å; V162-A185 VanDerWaalsContact CA-O 3.3Å; V162-A185 WeakPolarHBondContact CA-O 3.3Å
163N98.8Very high97.8Very high0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-99.1109.5170.7-164.5-12.7000109.9Y161 A165 A185 S186 G187 M190 L414Y161-N163 HydrophobicContact CE1-CB 3.74Å; Y161-N163 WeakPolarHBondContact OH-CB 3.22Å; Y161-N163 VanDerWaalsContact OH-CG 3.29Å; Y161-N163 PolarHBondContact OH-ND2 2.83Å; N163-A165 PolarHBondContact OD1-N 2.66Å; N163-A185 PolarHBondContact N-O 3.17Å; N163-S186 WeakPolarHBondContact O-CA 3.32Å; N163-G187 PolarHBondContact O-N 2.9Å; N163-M190 HydrophobicContact CB-CE 4.16Å; N163-M190 WeakPolarHBondContact O-CB 3.38Å; N163-M190 WeakPolarHBondContact OD1-CE 3.46Å; N163-L414 HydrophobicContact CB-CD2 3.93Å
164D98.5Very high97.8Very high1 Ų119.3 Ų19.31%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-115.124174.6-146.226000112.1M21 R22 S46 G187 F188 L189 M190M21-D164 HydrophobicContact CG-CB 4.49Å; R22-D164 CarbonylContact O-C 3.47Å; R22-D164 WeakPolarHBondContact O-CA 3.41Å; R22-D164 PolarHBondContact O-N 3.43Å; S46-D164 VanDerWaalsContact CB-OD2 3.25Å; S46-D164 WeakPolarHBondContact CB-OD2 3.43Å; S46-D164 PolarHBondContact OG-OD2 3.39Å; D164-G187 WeakPolarHBondContact OD1-CA 3.35Å; D164-F188 PolarHBondContact OD1-N 2.76Å; D164-L189 WeakPolarHBondContact OD1-CA 3.33Å; D164-L189 VanDerWaalsContact OD1-CB 3.28Å; D164-L189 WeakPolarHBondContact OD1-CB 3.46Å; D164-L189 PolarHBondContact OD1-N 2.83Å; D164-M190 PolarHBondContact OD1-N 3.48Å
165A97.6Very high97.8Very high1 Ų119.3 Ų19.31%0.00811%0.105CC..  trans-117.960.9-174.500000112.4R22 D24 N163 G167 T168 M176R22-A165 HydrophobicContact CB-CB 4.29Å; R22-A165 HydrophobicContact CG-CB 3.75Å; D24-A165 HydrophobicContact CB-CB 4.22Å; N163-A165 PolarHBondContact OD1-N 2.66Å; A165-G167 PolarHBondContact O-N 3.25Å; A165-G167 VanDerWaalsContact O-N 3.16Å; A165-T168 PolarHBondContact O-N 3.03Å; A165-M176 HydrophobicContact CB-CE 4.27Å
166F96.4Very high97.8Very high0 Ų018.7 Ų18.70%010%0.1CC..G310 helixtrans-53.4-38.3-178178.9-108.4000113.4T168 A169 L189 M190 E193 F197 G395 A398 L402 L408F166-T168 PolarHBondContact O-N 3.29Å; F166-A169 VanDerWaalsContact O-CB 3.28Å; F166-A169 WeakPolarHBondContact O-CB 3.46Å; F166-A169 PolarHBondContact O-N 2.98Å; F166-L189 HydrophobicContact CB-CD2 3.97Å; F166-M190 VanDerWaalsContact CA-CE 3.49Å; F166-M190 HydrophobicContact CB-CE 4.08Å; F166-M190 HydrophobicContact CB-SD 3.75Å; F166-M190 HydrophobicContact CD2-SD 3.59Å; F166-M190 VanDerWaalsContact CD2-SD 3.59Å; F166-M190 HydrophobicContact CG-SD 4.15Å; F166-E193 HydrophobicContact CB-CB 4.14Å; F166-E193 HydrophobicContact CB-CG 3.73Å; F166-E193 HydrophobicContact CD1-CB 3.76Å; F166-E193 HydrophobicContact CD1-CG 3.52Å; F166-E193 HydrophobicContact CD2-CB 3.8Å; F166-E193 HydrophobicContact CD2-CG 4.29Å; F166-E193 HydrophobicContact CE1-CB 4.06Å; F166-E193 HydrophobicContact CE1-CG 4.18Å; F166-E193 HydrophobicContact CE2-CB 4.09Å; F166-E193 HydrophobicContact CG-CB 3.63Å; F166-E193 HydrophobicContact CG-CG 3.59Å; F166-E193 HydrophobicContact CZ-CB 4.23Å; F166-F197 HydrophobicContact CE1-CD2 4.27Å; F166-F197 AromaticContact CE1-CE2 3.77Å; F166-F197 HydrophobicContact CE1-CE2 3.77Å; F166-F197 AromaticContact CZ-CD2 3.85Å; F166-F197 HydrophobicContact CZ-CD2 3.85Å; F166-F197 AromaticContact CZ-CE2 3.78Å; F166-F197 HydrophobicContact CZ-CE2 3.78Å; F166-G395 VanDerWaalsContact CD1-CA 3.48Å; F166-A398 HydrophobicContact CD1-CB 4.44Å; F166-A398 HydrophobicContact CE1-CB 4.22Å; F166-A398 HydrophobicContact CZ-CB 4.4Å; F166-A398 WeakPolarHBondContact O-CB 3.48Å; F166-L402 HydrophobicContact CE2-CD2 4.15Å; F166-L402 HydrophobicContact CZ-CD2 3.89Å; F166-L408 HydrophobicContact CD2-CD1 4.38Å; F166-L408 HydrophobicContact CE2-CD1 3.58Å; F166-L408 HydrophobicContact CZ-CD1 4.05Å
167G93.6Very high97.8Very high13 Ų1316 Ų1613%0.1349%0.093CC..G310 helixtrans-58.4-18.7177.200000115.6A165 H170A165-G167 PolarHBondContact O-N 3.25Å; A165-G167 VanDerWaalsContact O-N 3.16Å; G167-H170 PolarHBondContact O-CE1 3.46Å; G167-H170 PolarHBondContact O-ND1 2.95Å; G167-H170 VanDerWaalsContact O-ND1 3.17Å
168T96.4Very high97.7Very high4 Ų416.5 Ų16.53%0.02510%0.098CC..G310 helixtrans-105.4-3.7176.6-46.50000112.5H63 A165 F166 H170 R171 M176H63-T168 PolarHBondContact CE1-OG1 3.34Å; A165-T168 PolarHBondContact O-N 3.03Å; F166-T168 PolarHBondContact O-N 3.29Å; T168-H170 VanDerWaalsContact C-N 3.26Å; T168-H170 PolarHBondContact O-N 3.5Å; T168-H170 VanDerWaalsContact O-N 3.17Å; T168-R171 HydrophobicContact CG2-CB 4.39Å; T168-R171 HydrophobicContact CG2-CG 4.43Å; T168-R171 WeakPolarHBondContact O-CB 3.46Å; T168-R171 PolarHBondContact O-N 2.94Å; T168-M176 HydrophobicContact CG2-CG 4.06Å; T168-M176 HydrophobicContact CG2-SD 4.21Å
169A97.1Very high97.7Very high0 Ų016.7 Ų16.70%010%0.099CC..THydrogen-bonded Turntrans-68.5-18.8-171.500000114.7F166 R171 M190 L408 P409 G410 V411F166-A169 VanDerWaalsContact O-CB 3.28Å; F166-A169 WeakPolarHBondContact O-CB 3.46Å; F166-A169 PolarHBondContact O-N 2.98Å; A169-R171 PolarHBondContact O-N 2.87Å; A169-M190 HydrophobicContact CB-CE 4.17Å; A169-L408 HydrophobicContact CB-CB 4.4Å; A169-L408 HydrophobicContact CB-CD1 4.33Å; A169-L408 CarbonylContact O-C 3.57Å; A169-P409 VanDerWaalsContact O-CD 3.29Å; A169-P409 WeakPolarHBondContact O-CD 3.34Å; A169-G410 PolarHBondContact O-N 2.82Å; A169-V411 HydrophobicContact CB-CG2 4.03Å
170H95.3Very high97.7Very high31 Ų3120.5 Ų20.514%0.14412%0.119CC..THydrogen-bonded Turntrans-69.7-11.5170.964.4-72.2000113.3G167 T168 A398 E401 L408 P409G167-H170 PolarHBondContact O-CE1 3.46Å; G167-H170 PolarHBondContact O-ND1 2.95Å; G167-H170 VanDerWaalsContact O-ND1 3.17Å; T168-H170 VanDerWaalsContact C-N 3.26Å; T168-H170 PolarHBondContact O-N 3.5Å; T168-H170 VanDerWaalsContact O-N 3.17Å; H170-A398 HydrophobicContact CB-CB 4.22Å; H170-E401 HydrophobicContact CB-CB 4.43Å; H170-E401 HydrophobicContact CB-CG 4.48Å; H170-E401 IonicContact CD2-OE1 4Å; H170-E401 PolarHBondContact CD2-OE1 3.27Å; H170-E401 VanDerWaalsContact CD2-OE1 3.29Å; H170-E401 IonicContact CG-OE1 2.69Å; H170-L408 HydrophobicContact CB-CD2 3.82Å; H170-P409 WeakPolarHBondContact O-CD 3.48Å
171R95.7Very high97.7Very high81 Ų8121.1 Ų21.131%0.30612%0.122SC..SBendtrans-102.4132.5-175.9-51.1-165.3174.2-144.2-3.3111.2E129 T168 A169 H173 M176E129-R171 IonicContact OE1-NH1 3.88Å; T168-R171 HydrophobicContact CG2-CB 4.39Å; T168-R171 HydrophobicContact CG2-CG 4.43Å; T168-R171 WeakPolarHBondContact O-CB 3.46Å; T168-R171 PolarHBondContact O-N 2.94Å; A169-R171 PolarHBondContact O-N 2.87Å; R171-H173 WeakPolarHBondContact CD-CE1 3.31Å; R171-H173 WeakPolarHBondContact CD-NE2 3.43Å; R171-H173 PolarHBondContact O-N 3.04Å; R171-M176 WeakPolarHBondContact O-CB 3.44Å
172A97.6Very high97.6Very high65 Ų6525.5 Ų25.554%0.53715%0.151SC..  trans-79.943.1173.600000112.5P409A172-P409 HydrophobicContact CB-CB 4.05Å; A172-P409 HydrophobicContact CB-CG 4.16Å
173H98.6Very high97.5Very high19 Ų1930.2 Ų30.29%0.08817%0.172CC..  trans-76.5157.5-179.2-70.7-171.7000112.1E128 E129 R171 S175 M176 V177E128-H173 CarbonylContact O-C 3.59Å; E128-H173 VanDerWaalsContact O-CA 3.25Å; E128-H173 WeakPolarHBondContact O-CA 3.39Å; E128-H173 WeakPolarHBondContact O-CB 3.22Å; E128-H173 IonicContact OE1-ND1 3.29Å; E129-H173 VanDerWaalsContact CG-CE1 3.49Å; E129-H173 WeakPolarHBondContact CG-CE1 3.02Å; E129-H173 IonicContact OE1-CE1 3.52Å; E129-H173 PolarHBondContact OE1-CE1 3.19Å; E129-H173 IonicContact OE1-NE2 2.86Å; R171-H173 WeakPolarHBondContact CD-CE1 3.31Å; R171-H173 WeakPolarHBondContact CD-NE2 3.43Å; R171-H173 PolarHBondContact O-N 3.04Å; H173-S175 VanDerWaalsContact C-N 3.31Å; H173-S175 PolarHBondContact O-N 3.35Å; H173-M176 HydrophobicContact CB-CG 4.3Å; H173-M176 WeakPolarHBondContact O-CB 3.28Å; H173-M176 PolarHBondContact O-N 3.28Å; H173-V177 WeakPolarHBondContact O-CG2 3.44Å; H173-V177 PolarHBondContact O-N 2.97Å
174S98.9Very high97.5Very high2 Ų232.4 Ų32.41%0.01418%0.182CC..Hα-helixtrans-55.7-43.6-175.7-72.60000113.3E127 E128 R151 M176 G178E127-S174 WeakPolarHBondContact O-CB 3.4Å; E127-S174 PolarHBondContact O-OG 2.77Å; E128-S174 PolarHBondContact O-N 3.01Å; R151-S174 PolarHBondContact NE-OG 3.42Å; S174-M176 VanDerWaalsContact C-N 3.27Å; S174-M176 PolarHBondContact O-N 3.34Å; S174-G178 WeakPolarHBondContact O-CA 3.39Å; S174-G178 PolarHBondContact O-N 3.24Å
175S98.8Very high97.5Very high0 Ų032.3 Ų32.30%018%0.182CC..Hα-helixtrans-70.5-17.7176.868.30000115.3R22 E128 Y161 H173R22-S175 VanDerWaalsContact CD-OG 3.3Å; R22-S175 WeakPolarHBondContact CD-OG 3.45Å; R22-S175 VanDerWaalsContact NE-CB 3.31Å; R22-S175 PolarHBondContact NE-OG 3.31Å; R22-S175 PolarHBondContact NH2-OG 3.34Å; E128-S175 VanDerWaalsContact CD-OG 3.23Å; E128-S175 PolarHBondContact OE1-OG 2.88Å; E128-S175 WeakPolarHBondContact OE2-CB 3.35Å; E128-S175 PolarHBondContact OE2-N 2.93Å; E128-S175 PolarHBondContact OE2-OG 3.23Å; E128-S175 VanDerWaalsContact OE2-OG 3.06Å; Y161-S175 PolarHBondContact OH-O 2.97Å; H173-S175 VanDerWaalsContact C-N 3.31Å; H173-S175 PolarHBondContact O-N 3.35Å
176M98.7Very high97.6Very high2 Ų232.3 Ų32.31%0.0118%0.181CC..Hα-helixtrans-88.5-40.4178.8-69.6-67.695.500112.4R22 A165 T168 R171 H173 S174R22-M176 HydrophobicContact CB-CE 3.82Å; R22-M176 VanDerWaalsContact CD-CE 3.49Å; R22-M176 HydrophobicContact CG-CE 3.31Å; A165-M176 HydrophobicContact CB-CE 4.27Å; T168-M176 HydrophobicContact CG2-CG 4.06Å; T168-M176 HydrophobicContact CG2-SD 4.21Å; R171-M176 WeakPolarHBondContact O-CB 3.44Å; H173-M176 HydrophobicContact CB-CG 4.3Å; H173-M176 WeakPolarHBondContact O-CB 3.28Å; H173-M176 PolarHBondContact O-N 3.28Å; S174-M176 VanDerWaalsContact C-N 3.27Å; S174-M176 PolarHBondContact O-N 3.34Å
177V98.4Very high97.7Very high54 Ų5432.3 Ų32.333%0.32718%0.181SC..Hα-helixtrans-123.2-12.2-170.2-53.50000114.1H173 P409 A413H173-V177 WeakPolarHBondContact O-CG2 3.44Å; H173-V177 PolarHBondContact O-N 2.97Å; V177-P409 HydrophobicContact CG1-CB 3.8Å; V177-A413 HydrophobicContact CB-CB 4.34Å; V177-A413 HydrophobicContact CG1-CB 4.26Å
178G98.3Very high97.9Very high11 Ų1134.4 Ų34.411%0.11319%0.187CC..  trans-103.8-6.9-168.300000115.7R151 S174 N180R151-G178 WeakPolarHBondContact CB-O 3.29Å; S174-G178 WeakPolarHBondContact O-CA 3.39Å; S174-G178 PolarHBondContact O-N 3.24Å; G178-N180 PolarHBondContact O-N 3.19Å
179V98.6Very high97.8Very high6 Ų635.4 Ų35.44%0.03619%0.192CC..  trans-73110.4175.5-178.60000109.5I20 M61 Y161 L181I20-V179 HydrophobicContact CG2-CG1 4.3Å; M61-V179 HydrophobicContact CE-CG2 3.88Å; Y161-V179 HydrophobicContact CD2-CB 4.12Å; Y161-V179 HydrophobicContact CD2-CG1 3.94Å; Y161-V179 HydrophobicContact CD2-CG2 4.14Å; Y161-V179 HydrophobicContact CE2-CB 4.45Å; Y161-V179 HydrophobicContact CE2-CG2 4.13Å; Y161-V179 HydrophobicContact CG-CB 4.26Å; Y161-V179 HydrophobicContact CG-CG1 4.03Å; V179-L181 HydrophobicContact CG1-CD1 3.94Å; V179-L181 HydrophobicContact CG1-CG 4.08Å; V179-L181 PolarHBondContact O-N 2.6Å
180N98.3Very high97.8Very high134 Ų13435.4 Ų35.472%0.71719%0.192SC*.  trans-93.676.5-175.1-171.526.6000111.4S155 G178S155-N180 PolarHBondContact OG-N 3.41Å; G178-N180 PolarHBondContact O-N 3.19Å
181L98.5Very high97.9Very high17 Ų1736.4 Ų36.49%0.08920%0.196CC..  trans-120.7150.5173-70.2174.1000110.6I20 G158 V179 H183 K184I20-L181 HydrophobicContact CG2-CD1 3.58Å; G158-L181 WeakPolarHBondContact O-CD2 3.46Å; V179-L181 HydrophobicContact CG1-CD1 3.94Å; V179-L181 HydrophobicContact CG1-CG 4.08Å; V179-L181 PolarHBondContact O-N 2.6Å; L181-H183 VanDerWaalsContact C-N 3.33Å; L181-H183 PolarHBondContact O-N 2.92Å; L181-K184 PolarHBondContact O-NZ 2.83Å
182P96.7Very high97.8Very high94 Ų9437.2 Ų37.261%0.6120%0.202SC*.SBendtrans-63.1-39.9-174.122.9-33000112.2S415P182-S415 PolarHBondContact O-OG 3.39Å
183H97.9Very high97.7Very high99 Ų9934.1 Ų34.146%0.45818%0.176SC..  trans-111.5119.8179.7-56.1-69.1000110.6L7 L12 V160 Y161 L181L7-H183 HydrophobicContact CD2-CB 4.33Å; L12-H183 HydrophobicContact CD1-CB 3.57Å; V160-H183 HydrophobicContact CG1-CB 4.3Å; Y161-H183 PolarHBondContact N-O 3.34Å; L181-H183 VanDerWaalsContact C-N 3.33Å; L181-H183 PolarHBondContact O-N 2.92Å
184K98.6Very high97.5Very high46 Ų4633.4 Ų33.420%0.217%0.173CC..EExtended strand (participates in β ladder)trans-124.599.1-179.3-65.4177.9-75.1-82.30108.2Y161 L181 A413 L414 S415Y161-K184 HydrophobicContact CD1-CB 3.82Å; Y161-K184 HydrophobicContact CD1-CD 4.4Å; Y161-K184 HydrophobicContact CD1-CG 3.79Å; Y161-K184 HydrophobicContact CG-CG 4.42Å; Y161-K184 CarbonylContact O-C 3.49Å; Y161-K184 WeakPolarHBondContact O-CA 3.33Å; L181-K184 PolarHBondContact O-NZ 2.83Å; K184-A413 VanDerWaalsContact CD-O 3.24Å; K184-A413 WeakPolarHBondContact CD-O 3.19Å; K184-A413 WeakPolarHBondContact CE-O 3.42Å; K184-L414 HydrophobicContact CB-CD2 4.45Å; K184-S415 PolarHBondContact N-OG 3.24Å; K184-S415 VanDerWaalsContact N-OG 3.09Å; K184-S415 PolarHBondContact O-N 3.32Å
185A98.6Very high97.3Very high0 Ų036.3 Ų36.30%019%0.188CC..EExtended strand (participates in β ladder)trans-103.9154.3-175.300000111.9L7 L12 Y161 V162 N163 L414L7-A185 HydrophobicContact CB-CB 4.48Å; L7-A185 HydrophobicContact CD2-CB 4.1Å; L7-A185 HydrophobicContact CG-CB 3.92Å; L7-A185 CarbonylContact O-C 3.49Å; L7-A185 WeakPolarHBondContact O-CA 3.5Å; L12-A185 HydrophobicContact CB-CB 4.28Å; L12-A185 HydrophobicContact CD2-CB 3.84Å; Y161-A185 PolarHBondContact O-N 3.16Å; V162-A185 CarbonylContact C-O 3.57Å; V162-A185 VanDerWaalsContact CA-O 3.3Å; V162-A185 WeakPolarHBondContact CA-O 3.3Å; N163-A185 PolarHBondContact N-O 3.17Å; A185-L414 WeakPolarHBondContact O-CD2 3.41Å
186S98.3Very high97.1Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-76.4136163.648.90000110.3L7 T8 L9 N163L7-S186 PolarHBondContact O-N 3.45Å; L7-S186 PolarHBondContact O-OG 3.24Å; T8-S186 CarbonylContact C-O 3.59Å; T8-S186 WeakPolarHBondContact CG2-OG 3.37Å; L9-S186 WeakPolarHBondContact CB-O 3.27Å; L9-S186 PolarHBondContact N-O 3.39Å; N163-S186 WeakPolarHBondContact O-CA 3.32Å
187G98.6Very high96.8Very high0 Ų038.4 Ų38.40%020%0.196CC..  trans-71.3-179.9165.700000111.5N163 D164 M190 K191N163-G187 PolarHBondContact O-N 2.9Å; D164-G187 WeakPolarHBondContact OD1-CA 3.35Å; G187-M190 PolarHBondContact O-N 3.42Å; G187-K191 WeakPolarHBondContact O-CB 3.45Å; G187-K191 PolarHBondContact O-N 2.8Å
188F97.9Very high96.6Very high58 Ų5836.2 Ų36.225%0.25418%0.184SC..Hα-helixtrans-69.6-34-175.3-68.4-50.5000114.5L9 D10 P45 S46 Y49 D164 K191 K192L9-F188 HydrophobicContact CD2-CD2 4.44Å; L9-F188 HydrophobicContact CD2-CE2 4.23Å; D10-F188 HydrophobicContact CB-CE1 4.06Å; P45-F188 HydrophobicContact CB-CD2 4.05Å; S46-F188 PolarHBondContact OG-N 3.46Å; Y49-F188 HydrophobicContact CD1-CE2 4.36Å; Y49-F188 HydrophobicContact CD1-CZ 4.25Å; Y49-F188 AromaticContact CD2-CE2 3.89Å; Y49-F188 HydrophobicContact CD2-CE2 3.89Å; Y49-F188 AromaticContact CD2-CZ 3.66Å; Y49-F188 HydrophobicContact CD2-CZ 3.66Å; Y49-F188 HydrophobicContact CE2-CZ 4.09Å; Y49-F188 AromaticContact CG-CE2 3.67Å; Y49-F188 HydrophobicContact CG-CE2 3.67Å; Y49-F188 AromaticContact CG-CZ 3.75Å; Y49-F188 HydrophobicContact CG-CZ 3.75Å; D164-F188 PolarHBondContact OD1-N 2.76Å; F188-K191 HydrophobicContact CD1-CD 4.49Å; F188-K192 WeakPolarHBondContact O-CB 3.13Å; F188-K192 PolarHBondContact O-N 2.83Å
189L95.4Very high96.3Very high24 Ų2439.9 Ų39.913%0.12620%0.197CC..Hα-helixtrans-65.1-50.9173.5174165.9000109.1A42 D164 F166 K191 K192 E193 T394A42-L189 HydrophobicContact CB-CD1 3.74Å; D164-L189 WeakPolarHBondContact OD1-CA 3.33Å; D164-L189 VanDerWaalsContact OD1-CB 3.28Å; D164-L189 WeakPolarHBondContact OD1-CB 3.46Å; D164-L189 PolarHBondContact OD1-N 2.83Å; F166-L189 HydrophobicContact CB-CD2 3.97Å; L189-K191 VanDerWaalsContact C-N 3.34Å; L189-K191 PolarHBondContact O-N 3.42Å; L189-K192 PolarHBondContact O-N 2.81Å; L189-E193 HydrophobicContact CD2-CG 4.09Å; L189-E193 VanDerWaalsContact O-CG 3.29Å; L189-E193 WeakPolarHBondContact O-CG 3.35Å; L189-E193 PolarHBondContact O-N 2.79Å; L189-T394 HydrophobicContact CD1-CG2 4.18Å
190M96.6Very high95.9Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-58.5-45.9177.5177.573.475.200111.4N163 D164 F166 A169 G187 K192 E193 L194 V411 L414N163-M190 HydrophobicContact CB-CE 4.16Å; N163-M190 WeakPolarHBondContact O-CB 3.38Å; N163-M190 WeakPolarHBondContact OD1-CE 3.46Å; D164-M190 PolarHBondContact OD1-N 3.48Å; F166-M190 VanDerWaalsContact CA-CE 3.49Å; F166-M190 HydrophobicContact CB-CE 4.08Å; F166-M190 HydrophobicContact CB-SD 3.75Å; F166-M190 HydrophobicContact CD2-SD 3.59Å; F166-M190 VanDerWaalsContact CD2-SD 3.59Å; F166-M190 HydrophobicContact CG-SD 4.15Å; A169-M190 HydrophobicContact CB-CE 4.17Å; G187-M190 PolarHBondContact O-N 3.42Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-K192 PolarHBondContact O-N 2.88Å; M190-E193 WeakPolarHBondContact O-CB 3.28Å; M190-E193 PolarHBondContact O-N 2.89Å; M190-L194 HydrophobicContact CG-CD1 4.16Å; M190-L194 HydrophobicContact CG-CG 4.41Å; M190-L194 WeakPolarHBondContact O-CG 3.39Å; M190-L194 PolarHBondContact O-N 3.2Å; M190-L194 HydrophobicContact SD-CG 4.49Å; M190-V411 HydrophobicContact SD-CG2 4.31Å; M190-L414 HydrophobicContact CG-CD1 4.43Å
191K96.4Very high95.5Very high52 Ų5234.3 Ų34.323%0.22617%0.166CC..Hα-helixtrans-56.1-47.3176.3179.6-175.3-173.1-61.80111.2T8 G187 F188 L189 E193 L194 D195T8-K191 HydrophobicContact CG2-CB 4.18Å; T8-K191 HydrophobicContact CG2-CD 3.72Å; T8-K191 HydrophobicContact CG2-CG 3.69Å; G187-K191 WeakPolarHBondContact O-CB 3.45Å; G187-K191 PolarHBondContact O-N 2.8Å; F188-K191 HydrophobicContact CD1-CD 4.49Å; L189-K191 VanDerWaalsContact C-N 3.34Å; L189-K191 PolarHBondContact O-N 3.42Å; K191-E193 VanDerWaalsContact C-N 3.33Å; K191-E193 PolarHBondContact O-N 3.03Å; K191-L194 PolarHBondContact O-N 2.92Å; K191-D195 IonicContact NZ-OD1 2.85Å; K191-D195 IonicContact NZ-OD2 2.97Å; K191-D195 PolarHBondContact NZ-OD2 2.97Å; K191-D195 WeakPolarHBondContact O-CB 3.27Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 3.06Å
192K94.9Very high95.1Very high98 Ų9836.1 Ų36.143%0.42618%0.175SC..Hα-helixtrans-59-45.5177.9-171.1179.2-179.5-175.50111F188 L189 M190 L194 D195 Y196 H391F188-K192 WeakPolarHBondContact O-CB 3.13Å; F188-K192 PolarHBondContact O-N 2.83Å; L189-K192 PolarHBondContact O-N 2.81Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-K192 PolarHBondContact O-N 2.88Å; K192-L194 PolarHBondContact O-N 3.12Å; K192-D195 PolarHBondContact O-N 3.08Å; K192-Y196 HydrophobicContact CD-CE2 4.4Å; K192-Y196 HydrophobicContact CG-CD2 3.78Å; K192-Y196 HydrophobicContact CG-CE2 3.78Å; K192-Y196 VanDerWaalsContact O-CD2 3.29Å; K192-Y196 WeakPolarHBondContact O-CD2 3.27Å; K192-Y196 PolarHBondContact O-N 2.95Å; K192-H391 WeakPolarHBondContact CE-ND1 3.41Å
193E94.9Very high94.5Very high1 Ų137.9 Ų37.91%0.00518%0.179CC..Hα-helixtrans-57.6-50.3176.2-61.9-84.3-167.600111F166 L189 M190 K191 D195 Y196 F197 H391 S393 T394F166-E193 HydrophobicContact CB-CB 4.14Å; F166-E193 HydrophobicContact CB-CG 3.73Å; F166-E193 HydrophobicContact CD1-CB 3.76Å; F166-E193 HydrophobicContact CD1-CG 3.52Å; F166-E193 HydrophobicContact CD2-CB 3.8Å; F166-E193 HydrophobicContact CD2-CG 4.29Å; F166-E193 HydrophobicContact CE1-CB 4.06Å; F166-E193 HydrophobicContact CE1-CG 4.18Å; F166-E193 HydrophobicContact CE2-CB 4.09Å; F166-E193 HydrophobicContact CG-CB 3.63Å; F166-E193 HydrophobicContact CG-CG 3.59Å; F166-E193 HydrophobicContact CZ-CB 4.23Å; L189-E193 HydrophobicContact CD2-CG 4.09Å; L189-E193 VanDerWaalsContact O-CG 3.29Å; L189-E193 WeakPolarHBondContact O-CG 3.35Å; L189-E193 PolarHBondContact O-N 2.79Å; M190-E193 WeakPolarHBondContact O-CB 3.28Å; M190-E193 PolarHBondContact O-N 2.89Å; K191-E193 VanDerWaalsContact C-N 3.33Å; K191-E193 PolarHBondContact O-N 3.03Å; E193-D195 PolarHBondContact O-N 3.19Å; E193-Y196 PolarHBondContact O-N 3.47Å; E193-F197 WeakPolarHBondContact O-CB 3.47Å; E193-F197 WeakPolarHBondContact O-CD2 3.29Å; E193-F197 PolarHBondContact O-N 3.43Å; E193-F197 WeakPolarHBondContact OE2-CE2 3.48Å; E193-H391 VanDerWaalsContact CD-NE2 3.3Å; E193-H391 IonicContact OE1-CE1 3.42Å; E193-H391 IonicContact OE1-NE2 3.15Å; E193-H391 IonicContact OE2-CD2 3.75Å; E193-H391 IonicContact OE2-CE1 3.76Å; E193-H391 IonicContact OE2-NE2 3.62Å; E193-H391 PolarHBondContact OE2-NE2 3.36Å; E193-S393 WeakPolarHBondContact OE1-CA 3.24Å; E193-S393 PolarHBondContact OE2-OG 3.07Å; E193-T394 PolarHBondContact OE1-N 2.67Å; E193-T394 PolarHBondContact OE1-OG1 3.11Å
194L94.4Very high94.3Very high4 Ų434.4 Ų34.42%0.02117%0.165CC..Hα-helixtrans-60.7-44.9178.6-64.1178.4000112.2L3 K6 M190 K191 K192 Y196 F197 A198 V411 L414L3-L194 HydrophobicContact CB-CD2 4.44Å; L3-L194 HydrophobicContact CD2-CD2 3.88Å; K6-L194 HydrophobicContact CB-CD1 4.26Å; K6-L194 HydrophobicContact CG-CD1 4.42Å; M190-L194 HydrophobicContact CG-CD1 4.16Å; M190-L194 HydrophobicContact CG-CG 4.41Å; M190-L194 WeakPolarHBondContact O-CG 3.39Å; M190-L194 PolarHBondContact O-N 3.2Å; M190-L194 HydrophobicContact SD-CG 4.49Å; K191-L194 PolarHBondContact O-N 2.92Å; K192-L194 PolarHBondContact O-N 3.12Å; L194-Y196 PolarHBondContact O-N 3.24Å; L194-F197 PolarHBondContact O-N 3.48Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 2.94Å; L194-V411 HydrophobicContact CD1-CG1 4.39Å; L194-V411 HydrophobicContact CD2-CG1 3.7Å; L194-V411 HydrophobicContact CD2-CG2 3.96Å; L194-L414 HydrophobicContact CD1-CD1 4.41Å
195D94.3Very high94.1Very high63 Ų6335.4 Ų35.434%0.33718%0.175SC..Hα-helixtrans-61.1-43.2-179.8-73.8-18.8000111.8K191 K192 E193 K199K191-D195 IonicContact NZ-OD1 2.85Å; K191-D195 IonicContact NZ-OD2 2.97Å; K191-D195 PolarHBondContact NZ-OD2 2.97Å; K191-D195 WeakPolarHBondContact O-CB 3.27Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 3.06Å; K192-D195 PolarHBondContact O-N 3.08Å; E193-D195 PolarHBondContact O-N 3.19Å; D195-K199 WeakPolarHBondContact O-CG 2.96Å; D195-K199 PolarHBondContact O-N 2.94Å
196Y94.4Very high94.1Very high46 Ų4640.8 Ų40.818%0.1820%0.195CC..Hα-helixtrans-74.5-42.5178.9-82.8-80.5000112.4K192 E193 L194 A198 K199 A200 I368 I370 S390 H391K192-Y196 HydrophobicContact CD-CE2 4.4Å; K192-Y196 HydrophobicContact CG-CD2 3.78Å; K192-Y196 HydrophobicContact CG-CE2 3.78Å; K192-Y196 VanDerWaalsContact O-CD2 3.29Å; K192-Y196 WeakPolarHBondContact O-CD2 3.27Å; K192-Y196 PolarHBondContact O-N 2.95Å; E193-Y196 PolarHBondContact O-N 3.47Å; L194-Y196 PolarHBondContact O-N 3.24Å; Y196-A198 VanDerWaalsContact C-N 3.32Å; Y196-A198 PolarHBondContact O-N 3.16Å; Y196-K199 WeakPolarHBondContact O-CB 3.24Å; Y196-K199 PolarHBondContact O-N 2.98Å; Y196-A200 PolarHBondContact O-N 3.47Å; Y196-I368 HydrophobicContact CD1-CG2 4.19Å; Y196-I368 HydrophobicContact CE1-CG2 4.22Å; Y196-I370 HydrophobicContact CD1-CD1 4.33Å; Y196-I370 HydrophobicContact CD1-CG1 4.02Å; Y196-I370 WeakPolarHBondContact O-CD1 3.38Å; Y196-S390 VanDerWaalsContact CZ-O 3.26Å; Y196-S390 PolarHBondContact OH-O 2.81Å; Y196-H391 HydrophobicContact CD1-CB 3.7Å; Y196-H391 HydrophobicContact CD2-CB 3.64Å; Y196-H391 AromaticContact CD2-CG 3.66Å; Y196-H391 AromaticContact CD2-ND1 3.97Å; Y196-H391 HydrophobicContact CE1-CB 3.94Å; Y196-H391 HydrophobicContact CE2-CB 3.91Å; Y196-H391 HydrophobicContact CG-CB 3.54Å; Y196-H391 AromaticContact CG-CG 3.79Å
197F93.5Very high94Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-69.3-30.1177-76.8-65.7000112.7L3 F166 E193 L194 K199 A200 L201 I370 L402 L403L3-F197 HydrophobicContact CD1-CB 3.93Å; F166-F197 HydrophobicContact CE1-CD2 4.27Å; F166-F197 AromaticContact CE1-CE2 3.77Å; F166-F197 HydrophobicContact CE1-CE2 3.77Å; F166-F197 AromaticContact CZ-CD2 3.85Å; F166-F197 HydrophobicContact CZ-CD2 3.85Å; F166-F197 AromaticContact CZ-CE2 3.78Å; F166-F197 HydrophobicContact CZ-CE2 3.78Å; E193-F197 WeakPolarHBondContact O-CB 3.47Å; E193-F197 WeakPolarHBondContact O-CD2 3.29Å; E193-F197 PolarHBondContact O-N 3.43Å; E193-F197 WeakPolarHBondContact OE2-CE2 3.48Å; L194-F197 PolarHBondContact O-N 3.48Å; F197-K199 VanDerWaalsContact C-N 3.34Å; F197-K199 PolarHBondContact O-N 3.39Å; F197-A200 PolarHBondContact O-N 2.9Å; F197-A200 VanDerWaalsContact O-N 3.1Å; F197-L201 HydrophobicContact CB-CD1 4.46Å; F197-L201 WeakPolarHBondContact O-CB 3.49Å; F197-L201 WeakPolarHBondContact O-CG 3.46Å; F197-L201 PolarHBondContact O-N 3.46Å; F197-I370 HydrophobicContact CE1-CG2 4.1Å; F197-I370 HydrophobicContact CZ-CG2 4.25Å; F197-L402 HydrophobicContact CB-CD2 3.57Å; F197-L402 HydrophobicContact CD1-CD2 4.17Å; F197-L402 HydrophobicContact CD2-CD2 3.77Å; F197-L402 HydrophobicContact CG-CD2 3.57Å; F197-L403 HydrophobicContact CD1-CD2 4.03Å; F197-L403 HydrophobicContact CD1-CG 4.38Å; F197-L403 HydrophobicContact CE1-CD1 4.18Å; F197-L403 HydrophobicContact CE1-CD2 3.89Å; F197-L403 HydrophobicContact CE1-CG 3.9Å
198A93Very high94Very high7 Ų742.9 Ų42.96%0.05821%0.209CC..Hα-helixtrans-60.4-43.3170.700000111.7L3 S4 L194 Y196 A200 L201 E202 N203L3-A198 HydrophobicContact CB-CB 3.99Å; S4-A198 VanDerWaalsContact OG-CB 3.32Å; S4-A198 WeakPolarHBondContact OG-CB 3.4Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 2.94Å; Y196-A198 VanDerWaalsContact C-N 3.32Å; Y196-A198 PolarHBondContact O-N 3.16Å; A198-A200 PolarHBondContact O-N 3.09Å; A198-L201 PolarHBondContact O-N 3.16Å; A198-E202 WeakPolarHBondContact O-CB 3.41Å; A198-E202 PolarHBondContact O-N 3.02Å; A198-N203 PolarHBondContact O-N 3.48Å
199K91.6Very high94.1Very high89 Ų8940.2 Ų40.239%0.38720%0.197SC..Hα-helixtrans-59.3-33.9173.5-68.7168.1-179.41800111.9D195 Y196 F197 N203 P204 I368D195-K199 WeakPolarHBondContact O-CG 2.96Å; D195-K199 PolarHBondContact O-N 2.94Å; Y196-K199 WeakPolarHBondContact O-CB 3.24Å; Y196-K199 PolarHBondContact O-N 2.98Å; F197-K199 VanDerWaalsContact C-N 3.34Å; F197-K199 PolarHBondContact O-N 3.39Å; K199-N203 CarbonylContact O-C 3.46Å; K199-P204 WeakPolarHBondContact O-CA 3.49Å; K199-I368 HydrophobicContact CD-CD1 4.27Å
200A91.1Very high94.2Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-81.8-37.417900000114.3Y196 F197 A198 F208 L333 V335 I370Y196-A200 PolarHBondContact O-N 3.47Å; F197-A200 PolarHBondContact O-N 2.9Å; F197-A200 VanDerWaalsContact O-N 3.1Å; A198-A200 PolarHBondContact O-N 3.09Å; A200-F208 HydrophobicContact CB-CZ 4.06Å; A200-F208 VanDerWaalsContact O-CE1 3.31Å; A200-F208 WeakPolarHBondContact O-CE1 3.25Å; A200-L333 HydrophobicContact CB-CD2 4.43Å; A200-V335 HydrophobicContact CB-CG2 3.91Å; A200-I370 HydrophobicContact CB-CD1 3.99Å
201L89.8Confident94.3Very high22 Ų2239.1 Ų39.112%0.11519%0.191CC..Hα-helixtrans-104.6-28.7-166.1-63.5175.6000114L3 F197 A198 K230 L402 L403L3-L201 HydrophobicContact CD1-CD1 4.25Å; F197-L201 HydrophobicContact CB-CD1 4.46Å; F197-L201 WeakPolarHBondContact O-CB 3.49Å; F197-L201 WeakPolarHBondContact O-CG 3.46Å; F197-L201 PolarHBondContact O-N 3.46Å; A198-L201 PolarHBondContact O-N 3.16Å; L201-K230 PolarHBondContact O-NZ 2.92Å; L201-L402 HydrophobicContact CD1-CD1 4.17Å; L201-L402 HydrophobicContact CD1-CD2 4.4Å; L201-L402 HydrophobicContact CD1-CG 3.74Å; L201-L403 HydrophobicContact CD2-CD2 4.22Å
202E89.4Confident94.3Very high56 Ų5636.7 Ų36.726%0.26218%0.181SC..THydrogen-bonded Turntrans-96.1-58.7-179.4-57.3-174.3162.100111.2S2 L3 S4 A198S2-E202 WeakPolarHBondContact CA-OE1 3.42Å; S2-E202 WeakPolarHBondContact CB-OE1 3.29Å; S2-E202 PolarHBondContact OG-OE1 3.41Å; L3-E202 PolarHBondContact N-OE1 2.7Å; S4-E202 WeakPolarHBondContact CB-OE2 3.45Å; S4-E202 PolarHBondContact OG-OE2 2.92Å; A198-E202 WeakPolarHBondContact O-CB 3.41Å; A198-E202 PolarHBondContact O-N 3.02Å
203N85.3Confident94.3Very high131 Ų13132 Ų3270%0.70116%0.161SC*.SBendtrans-13470-172.9-63.5-62.1000112.5A198 K199A198-N203 PolarHBondContact O-N 3.48Å; K199-N203 CarbonylContact O-C 3.46Å
204P93.2Very high94.2Very high26 Ų2633 Ų3317%0.16917%0.171CC..  trans-70.7130.7-176.428.4-34.2000113.5K199 F208 L333K199-P204 WeakPolarHBondContact O-CA 3.49Å; P204-F208 HydrophobicContact CB-CB 4.41Å; P204-F208 HydrophobicContact CB-CD1 3.58Å; P204-F208 HydrophobicContact CB-CE1 4.08Å; P204-F208 HydrophobicContact CB-CG 4.17Å; P204-F208 HydrophobicContact CG-CD1 4.12Å; P204-L333 HydrophobicContact CB-CD2 3.67Å
205V95.3Very high93.9Very high66 Ų6635.4 Ų35.440%0.419%0.191SC..  trans-67.6140.1164.9-174.80000108.6R332 L333 I368V205-R332 HydrophobicContact CG1-CB 3.69Å; V205-L333 WeakPolarHBondContact O-CB 3.18Å; V205-I368 HydrophobicContact CG2-CD1 4.4Å
206R97.1Very high93.5Very high114 Ų11438.2 Ų38.243%0.4320%0.2SC..SBendtrans-116.7148.8-174.5-61.1-173.6178.8-77.40.8112.2K230 N232 R332R206-K230 PolarHBondContact NH1-O 2.9Å; R206-K230 PolarHBondContact NH2-O 3.39Å; R206-K230 VanDerWaalsContact NH2-O 3.15Å; R206-N232 WeakPolarHBondContact CD-OD1 3.48Å; R206-N232 WeakPolarHBondContact CG-OD1 3.18Å; R206-N232 PolarHBondContact NH1-ND2 2.77Å; R206-N232 PolarHBondContact NH1-OD1 3.04Å; R206-R332 VanDerWaalsContact O-CD 3.26Å; R206-R332 WeakPolarHBondContact O-CD 3.27Å
207P97.9Very high93.1Very high44 Ų4436 Ų3629%0.28619%0.192SC..SBendcis-68.9131.51.8-21.635.3000113.2N232 Q330 R332 L333P207-N232 HydrophobicContact CB-CB 4.37Å; P207-Q330 WeakPolarHBondContact CD-O 3.35Å; P207-Q330 WeakPolarHBondContact CG-O 3.08Å; P207-R332 PolarHBondContact O-N 2.95Å; P207-L333 PolarHBondContact O-N 3.16Å
208F98.3Very high92.7Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-97.8117.6176.9179.1-165.2000109.1A200 P204 M227 K230 V231 N232 E233 L333 V335A200-F208 HydrophobicContact CB-CZ 4.06Å; A200-F208 VanDerWaalsContact O-CE1 3.31Å; A200-F208 WeakPolarHBondContact O-CE1 3.25Å; P204-F208 HydrophobicContact CB-CB 4.41Å; P204-F208 HydrophobicContact CB-CD1 3.58Å; P204-F208 HydrophobicContact CB-CE1 4.08Å; P204-F208 HydrophobicContact CB-CG 4.17Å; P204-F208 HydrophobicContact CG-CD1 4.12Å; F208-M227 HydrophobicContact CE1-CE 4.12Å; F208-M227 HydrophobicContact CE2-CE 4.34Å; F208-M227 HydrophobicContact CZ-CE 3.61Å; F208-K230 HydrophobicContact CD1-CB 4.42Å; F208-K230 HydrophobicContact CE1-CB 4.1Å; F208-V231 HydrophobicContact CD1-CB 4.44Å; F208-V231 HydrophobicContact CD1-CG1 3.86Å; F208-V231 HydrophobicContact CD2-CG1 4.26Å; F208-V231 HydrophobicContact CE1-CG1 3.86Å; F208-V231 HydrophobicContact CE2-CG1 4.23Å; F208-V231 HydrophobicContact CG-CB 4.48Å; F208-V231 HydrophobicContact CG-CG1 4.07Å; F208-V231 HydrophobicContact CZ-CG1 4.06Å; F208-V231 WeakPolarHBondContact O-CB 3.46Å; F208-N232 PolarHBondContact N-OD1 3.17Å; F208-N232 PolarHBondContact O-N 3.04Å; F208-E233 PolarHBondContact O-N 2.83Å; F208-L333 WeakPolarHBondContact CA-O 3.49Å; F208-L333 HydrophobicContact CB-CB 4.5Å; F208-L333 HydrophobicContact CB-CD2 4.42Å; F208-L333 HydrophobicContact CD1-CD2 4.08Å; F208-L333 HydrophobicContact CD2-CB 3.99Å; F208-L333 HydrophobicContact CD2-CD2 3.55Å; F208-L333 HydrophobicContact CD2-CG 3.54Å; F208-L333 WeakPolarHBondContact CD2-O 3.32Å; F208-L333 HydrophobicContact CE1-CD2 4.18Å; F208-L333 HydrophobicContact CE2-CD2 3.7Å; F208-L333 HydrophobicContact CE2-CG 3.75Å; F208-L333 HydrophobicContact CG-CB 4.44Å; F208-L333 HydrophobicContact CG-CD2 3.76Å; F208-L333 HydrophobicContact CG-CG 4.19Å; F208-L333 HydrophobicContact CZ-CD2 4Å; F208-L333 HydrophobicContact CZ-CG 4.49Å; F208-V335 HydrophobicContact CE2-CB 4Å; F208-V335 HydrophobicContact CE2-CG2 3.64Å; F208-V335 HydrophobicContact CZ-CB 4.31Å; F208-V335 HydrophobicContact CZ-CG2 3.76Å
209L98.8Very high92.3Very high2 Ų242.7 Ų42.71%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-103129.7177.2172.663.4000111I211 E233 I235 V327 V328 A331 L333 I334 V335L209-I211 HydrophobicContact CD1-CG1 4.36Å; L209-I211 HydrophobicContact CD2-CD1 4Å; L209-I211 HydrophobicContact CD2-CG1 3.91Å; L209-I211 HydrophobicContact CG-CD1 4.46Å; L209-I211 HydrophobicContact CG-CG1 3.88Å; L209-E233 WeakPolarHBondContact CA-O 3.26Å; L209-E233 HydrophobicContact CD1-CB 3.75Å; L209-I235 HydrophobicContact CD1-CD1 4.36Å; L209-I235 HydrophobicContact CD1-CG1 4.18Å; L209-I235 HydrophobicContact CD2-CD1 4.33Å; L209-V327 HydrophobicContact CD1-CG1 3.62Å; L209-V327 HydrophobicContact CD2-CG1 3.86Å; L209-V327 HydrophobicContact CG-CG1 4.36Å; L209-V328 HydrophobicContact CD2-CG2 3.95Å; L209-A331 HydrophobicContact CB-CB 3.81Å; L209-A331 HydrophobicContact CD2-CB 4.22Å; L209-L333 PolarHBondContact N-O 3.35Å; L209-I334 HydrophobicContact CB-CG1 4.25Å; L209-I334 HydrophobicContact CD2-CD1 4.37Å; L209-I334 HydrophobicContact CD2-CG1 4.17Å; L209-I334 HydrophobicContact CD2-CG2 4.48Å; L209-I334 CarbonylContact O-C 3.39Å; L209-I334 WeakPolarHBondContact O-CA 3.42Å; L209-V335 PolarHBondContact O-N 3.38Å
210A98.2Very high92.1Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-98.8138.915900000110.7L212 M227 V231 E233 M234 I235 V335A210-L212 HydrophobicContact CB-CG 4.48Å; A210-M227 HydrophobicContact CB-CE 3.88Å; A210-V231 HydrophobicContact CB-CG1 3.72Å; A210-E233 PolarHBondContact N-O 3.21Å; A210-M234 HydrophobicContact CB-CE 4.18Å; A210-M234 HydrophobicContact CB-CG 4.37Å; A210-M234 CarbonylContact O-C 3.53Å; A210-M234 WeakPolarHBondContact O-CA 3.4Å; A210-I235 PolarHBondContact O-N 2.98Å; A210-V335 CarbonylContact C-O 3.47Å; A210-V335 WeakPolarHBondContact CA-O 3.22Å
211I98.4Very high92.1Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-119.5115.8172.3-53.6173.3000106.7L209 I235 V328 I334 V335 W336 N337 L340 L355 I359L209-I211 HydrophobicContact CD1-CG1 4.36Å; L209-I211 HydrophobicContact CD2-CD1 4Å; L209-I211 HydrophobicContact CD2-CG1 3.91Å; L209-I211 HydrophobicContact CG-CD1 4.46Å; L209-I211 HydrophobicContact CG-CG1 3.88Å; I211-I235 HydrophobicContact CB-CB 4.49Å; I211-I235 HydrophobicContact CG1-CB 4.36Å; I211-I235 HydrophobicContact CG1-CD1 4.23Å; I211-I235 HydrophobicContact CG2-CB 4.14Å; I211-I235 HydrophobicContact CG2-CG2 4.13Å; I211-V328 HydrophobicContact CD1-CG2 4.22Å; I211-I334 HydrophobicContact CD1-CG2 3.65Å; I211-I334 HydrophobicContact CG1-CG2 4.15Å; I211-V335 PolarHBondContact N-O 2.92Å; I211-W336 HydrophobicContact CB-CB 4.17Å; I211-W336 HydrophobicContact CB-CG 4.04Å; I211-W336 HydrophobicContact CD1-CB 4.46Å; I211-W336 VanDerWaalsContact CG2-CD1 3.49Å; I211-W336 HydrophobicContact CG2-CG 4.18Å; I211-W336 WeakPolarHBondContact O-CA 3.31Å; I211-N337 PolarHBondContact O-N 2.76Å; I211-L340 HydrophobicContact CG2-CD2 4.09Å; I211-L355 HydrophobicContact CD1-CD1 4.08Å; I211-L355 HydrophobicContact CD1-CD2 4.07Å; I211-L355 HydrophobicContact CD1-CG 4.39Å; I211-L355 HydrophobicContact CG2-CD2 3.65Å; I211-I359 HydrophobicContact CD1-CD1 3.73Å; I211-I359 HydrophobicContact CD1-CG1 4.34Å
212L96.9Very high92.1Very high2 Ų245.5 Ų45.51%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-120.3127.6-175.6-57.2-177000109.6A210 L223 I224 M234 I235 I236 G237 N337A210-L212 HydrophobicContact CB-CG 4.48Å; L212-L223 HydrophobicContact CD1-CD2 4.43Å; L212-L223 HydrophobicContact CD1-CG 4.44Å; L212-L223 HydrophobicContact CD2-CD2 3.63Å; L212-L223 HydrophobicContact CD2-CG 4.22Å; L212-I224 HydrophobicContact CD1-CB 4.41Å; L212-I224 HydrophobicContact CD1-CG1 3.61Å; L212-M234 HydrophobicContact CD1-CE 3.9Å; L212-M234 HydrophobicContact CD1-CG 4.38Å; L212-M234 HydrophobicContact CD1-SD 3.75Å; L212-I235 PolarHBondContact N-O 3.36Å; L212-I236 WeakPolarHBondContact O-CA 3.42Å; L212-G237 PolarHBondContact O-N 3.15Å; L212-N337 WeakPolarHBondContact CA-O 3.49Å; L212-N337 HydrophobicContact CD2-CB 4.11Å
213G95.1Very high92.3Very high0 Ų042.9 Ų42.90%023%0.234CC..  trans-141-158.3177.700000112.4N337 P339G213-N337 PolarHBondContact N-O 3.17Å; G213-P339 WeakPolarHBondContact CA-O 3.13Å
214G91.3Very high92.7Very high21 Ų2136.6 Ų36.622%0.21620%0.201CC..SBendtrans94.7-168.6-172.900000113.6G238 G239 M240 P339G214-G238 CarbonylContact O-C 3.53Å; G214-G239 PolarHBondContact O-N 3.04Å; G214-M240 PolarHBondContact O-N 3.17Å; G214-M240 VanDerWaalsContact O-N 3.11Å; G214-P339 PolarHBondContact N-O 3.47Å
215A89.8Confident92.7Very high55 Ų5538.9 Ų38.946%0.45521%0.208SC..SBendtrans-88.1-42.9-162.200000115.2G239 M240 L257A215-G239 CarbonylContact O-C 3.52Å; A215-M240 PolarHBondContact O-N 3.4Å; A215-L257 HydrophobicContact CB-CD1 3.79Å
216K85.5Confident92.7Very high121 Ų12137.1 Ų37.153%0.52620%0.197SC..  trans-123.7143.9-168.3-63.3-178.1-179.2-179.20112.3
217V85.6Confident92.6Very high0 Ų031.8 Ų31.80%018%0.176CC..SBendtrans-77.2-40.1177.7178.20000110.5D219 K220 I221 M240 T243 F244 D259 I265V217-D219 PolarHBondContact O-N 3.17Å; V217-K220 CarbonylContact O-C 3.57Å; V217-K220 WeakPolarHBondContact O-CA 3.47Å; V217-K220 PolarHBondContact O-N 2.96Å; V217-I221 HydrophobicContact CG1-CG1 4.46Å; V217-I221 WeakPolarHBondContact O-CG1 3.4Å; V217-I221 PolarHBondContact O-N 3.05Å; V217-M240 HydrophobicContact CG2-CB 3.73Å; V217-M240 HydrophobicContact CG2-CE 4.27Å; V217-T243 HydrophobicContact CG2-CG2 3.99Å; V217-F244 HydrophobicContact CG1-CE2 4.13Å; V217-F244 HydrophobicContact CG2-CD2 4.21Å; V217-F244 HydrophobicContact CG2-CE2 3.87Å; V217-D259 PolarHBondContact N-OD2 3.05Å; V217-I265 HydrophobicContact CG1-CD1 4.41Å
218A84.3Confident92.5Very high42 Ų4229.7 Ų29.735%0.34716%0.163SC..G310 helixtrans-52.9-42-177.300000112.4K220 I221 D259A218-K220 PolarHBondContact O-N 2.96Å; A218-I221 WeakPolarHBondContact O-CG1 3.34Å; A218-D259 VanDerWaalsContact CB-OD2 3.26Å; A218-D259 WeakPolarHBondContact CB-OD2 3.41Å; A218-D259 PolarHBondContact N-OD2 3.15Å
219D85.6Confident92.4Very high106 Ų10633.7 Ų33.757%0.56718%0.184SC*.G310 helixtrans-71.4-11.5179.4-59.3-24.5000113V217V217-D219 PolarHBondContact O-N 3.17Å
220K88Confident92.2Very high31 Ų3136.8 Ų36.814%0.13520%0.198CC..G310 helixtrans-120.2-0.1-173.7-58.4-66-175.7-178.30113.4V217 A218 Q222 L223 I224 M240 N337V217-K220 CarbonylContact O-C 3.57Å; V217-K220 WeakPolarHBondContact O-CA 3.47Å; V217-K220 PolarHBondContact O-N 2.96Å; A218-K220 PolarHBondContact O-N 2.96Å; K220-Q222 VanDerWaalsContact C-N 3.35Å; K220-Q222 PolarHBondContact O-N 3.04Å; K220-L223 HydrophobicContact CD-CD2 3.92Å; K220-L223 WeakPolarHBondContact O-CB 3.32Å; K220-L223 PolarHBondContact O-N 2.92Å; K220-L223 VanDerWaalsContact O-N 3.17Å; K220-I224 HydrophobicContact CB-CD1 4.12Å; K220-I224 HydrophobicContact CB-CG1 4.37Å; K220-I224 VanDerWaalsContact O-CG1 3.26Å; K220-I224 WeakPolarHBondContact O-CG1 3.22Å; K220-I224 PolarHBondContact O-N 2.94Å; K220-M240 HydrophobicContact CB-CE 4.31Å; K220-M240 HydrophobicContact CG-SD 4.25Å; K220-N337 PolarHBondContact NZ-OD1 3.47Å
221I90.3Very high92.2Very high38 Ų3837.1 Ų37.120%0.19520%0.2CC..Hα-helixtrans-54.1-52.3-175.8-61-179.5000111.1V217 A218 L223 I224 K225 I265V217-I221 HydrophobicContact CG1-CG1 4.46Å; V217-I221 WeakPolarHBondContact O-CG1 3.4Å; V217-I221 PolarHBondContact O-N 3.05Å; A218-I221 WeakPolarHBondContact O-CG1 3.34Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 2.97Å; I221-I224 PolarHBondContact O-N 3.45Å; I221-K225 HydrophobicContact CG2-CD 4.04Å; I221-K225 WeakPolarHBondContact O-CB 3.45Å; I221-K225 WeakPolarHBondContact O-CG 3.24Å; I221-K225 PolarHBondContact O-N 2.68Å; I221-I265 HydrophobicContact CB-CD1 3.97Å; I221-I265 HydrophobicContact CD1-CD1 3.54Å; I221-I265 HydrophobicContact CD1-CG1 4.15Å; I221-I265 HydrophobicContact CG1-CD1 3.4Å; I221-I265 VanDerWaalsContact CG1-CD1 3.4Å; I221-I265 HydrophobicContact CG1-CG1 4.44Å; I221-I265 HydrophobicContact CG2-CD1 3.54Å
222Q91.1Very high92.2Very high101 Ų10139.6 Ų39.647%0.47221%0.213SC..Hα-helixtrans-65.6-39.9-177.1-173.259.631.200111.1K220 K225 N226 E404K220-Q222 VanDerWaalsContact C-N 3.35Å; K220-Q222 PolarHBondContact O-N 3.04Å; Q222-K225 PolarHBondContact O-N 3.05Å; Q222-N226 WeakPolarHBondContact O-CB 3.29Å; Q222-N226 PolarHBondContact O-N 3.41Å; Q222-E404 HydrophobicContact CB-CG 4.11Å; Q222-E404 HydrophobicContact CG-CB 3.87Å; Q222-E404 HydrophobicContact CG-CG 4.03Å
223L92.1Very high92.3Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-59.7-53.3175.8175.965.4000110.9L212 K220 I221 K225 N226 M227 N337 L400 L403 E404L212-L223 HydrophobicContact CD1-CD2 4.43Å; L212-L223 HydrophobicContact CD1-CG 4.44Å; L212-L223 HydrophobicContact CD2-CD2 3.63Å; L212-L223 HydrophobicContact CD2-CG 4.22Å; K220-L223 HydrophobicContact CD-CD2 3.92Å; K220-L223 WeakPolarHBondContact O-CB 3.32Å; K220-L223 PolarHBondContact O-N 2.92Å; K220-L223 VanDerWaalsContact O-N 3.17Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 2.97Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 3.25Å; L223-N226 PolarHBondContact O-N 2.96Å; L223-M227 HydrophobicContact CD1-CG 3.82Å; L223-M227 HydrophobicContact CG-CG 4.3Å; L223-M227 WeakPolarHBondContact O-CB 3.41Å; L223-M227 VanDerWaalsContact O-CG 3.22Å; L223-M227 WeakPolarHBondContact O-CG 3.36Å; L223-M227 PolarHBondContact O-N 3.18Å; L223-N337 HydrophobicContact CD2-CB 4.49Å; L223-L400 HydrophobicContact CB-CD1 4.23Å; L223-L400 HydrophobicContact CD1-CD1 4.29Å; L223-L400 HydrophobicContact CD2-CD1 3.67Å; L223-L400 HydrophobicContact CG-CD1 4.28Å; L223-L403 HydrophobicContact CD1-CB 3.32Å; L223-L403 HydrophobicContact CD1-CD1 4.33Å; L223-L403 HydrophobicContact CD1-CG 4.44Å; L223-E404 HydrophobicContact CB-CG 4.03Å
224I94.4Very high92.5Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-57.3-50.6179.3-63.4160.9000109.5L212 K220 I221 N226 M227 L228 M234 M240 F244 I269L212-I224 HydrophobicContact CD1-CB 4.41Å; L212-I224 HydrophobicContact CD1-CG1 3.61Å; K220-I224 HydrophobicContact CB-CD1 4.12Å; K220-I224 HydrophobicContact CB-CG1 4.37Å; K220-I224 VanDerWaalsContact O-CG1 3.26Å; K220-I224 WeakPolarHBondContact O-CG1 3.22Å; K220-I224 PolarHBondContact O-N 2.94Å; I221-I224 PolarHBondContact O-N 3.45Å; I224-N226 VanDerWaalsContact C-N 3.33Å; I224-N226 PolarHBondContact O-N 2.95Å; I224-M227 PolarHBondContact O-N 2.9Å; I224-L228 HydrophobicContact CG2-CD1 4.09Å; I224-L228 HydrophobicContact CG2-CG 4.23Å; I224-L228 VanDerWaalsContact O-CG 3.28Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.11Å; I224-M234 HydrophobicContact CG2-CE 4.43Å; I224-M234 HydrophobicContact CG2-SD 4.04Å; I224-M240 HydrophobicContact CD1-CE 3.72Å; I224-F244 HydrophobicContact CD1-CZ 4.41Å; I224-I269 HydrophobicContact CB-CD1 4.45Å; I224-I269 HydrophobicContact CD1-CD1 4.01Å; I224-I269 HydrophobicContact CG2-CD1 4.02Å; I224-I269 HydrophobicContact CG2-CG1 4.23Å; I224-I269 HydrophobicContact CG2-CG2 3.66Å
225K93.8Very high92.8Very high73 Ų7339.2 Ų39.232%0.31721%0.205SC..Hα-helixtrans-57.8-43.8-178.7-77.7-177.5176.4-177.70112.1I221 Q222 L223 K272I221-K225 HydrophobicContact CG2-CD 4.04Å; I221-K225 WeakPolarHBondContact O-CB 3.45Å; I221-K225 WeakPolarHBondContact O-CG 3.24Å; I221-K225 PolarHBondContact O-N 2.68Å; Q222-K225 PolarHBondContact O-N 3.05Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 3.25Å; K225-K272 PolarHBondContact O-NZ 3.49Å
226N93.8Very high93.2Very high30 Ų3036.6 Ų36.616%0.1618%0.184CC..Hα-helixtrans-70.8-42179-171.364.3000111.8Q222 L223 I224 L228 D229 L403 G405Q222-N226 WeakPolarHBondContact O-CB 3.29Å; Q222-N226 PolarHBondContact O-N 3.41Å; L223-N226 PolarHBondContact O-N 2.96Å; I224-N226 VanDerWaalsContact C-N 3.33Å; I224-N226 PolarHBondContact O-N 2.95Å; N226-L228 VanDerWaalsContact C-N 3.31Å; N226-L228 PolarHBondContact O-N 2.92Å; N226-D229 PolarHBondContact O-N 3.4Å; N226-D229 VanDerWaalsContact O-N 3.15Å; N226-L403 PolarHBondContact ND2-O 3.15Å; N226-G405 PolarHBondContact ND2-N 3.48Å
227M95.3Very high93.8Very high1 Ų130.9 Ų30.91%0.00516%0.159CC..Hα-helixtrans-64.9-34.5179.5-70-54.6-67.800112.4F208 A210 L223 I224 D229 K230 V231 M234 V335 L403F208-M227 HydrophobicContact CE1-CE 4.12Å; F208-M227 HydrophobicContact CE2-CE 4.34Å; F208-M227 HydrophobicContact CZ-CE 3.61Å; A210-M227 HydrophobicContact CB-CE 3.88Å; L223-M227 HydrophobicContact CD1-CG 3.82Å; L223-M227 HydrophobicContact CG-CG 4.3Å; L223-M227 WeakPolarHBondContact O-CB 3.41Å; L223-M227 VanDerWaalsContact O-CG 3.22Å; L223-M227 WeakPolarHBondContact O-CG 3.36Å; L223-M227 PolarHBondContact O-N 3.18Å; I224-M227 PolarHBondContact O-N 2.9Å; M227-D229 PolarHBondContact O-N 2.9Å; M227-D229 VanDerWaalsContact O-N 3.14Å; M227-K230 PolarHBondContact O-N 3.18Å; M227-V231 HydrophobicContact CB-CG1 4.46Å; M227-V231 HydrophobicContact CE-CG1 3.6Å; M227-V231 WeakPolarHBondContact O-CG2 3.26Å; M227-V231 PolarHBondContact O-N 2.96Å; M227-M234 HydrophobicContact CB-CE 3.69Å; M227-V335 HydrophobicContact CE-CB 4.45Å; M227-L403 HydrophobicContact SD-CD2 4.09Å
228L97.1Very high94.4Very high1 Ų131.3 Ų31.31%0.00516%0.163CC..THydrogen-bonded Turntrans-60.3-19.9175.2-74.9179.5000113.9I224 N226 K230 M234 I269 K272 A273 N276 V278 I280I224-L228 HydrophobicContact CG2-CD1 4.09Å; I224-L228 HydrophobicContact CG2-CG 4.23Å; I224-L228 VanDerWaalsContact O-CG 3.28Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.11Å; N226-L228 VanDerWaalsContact C-N 3.31Å; N226-L228 PolarHBondContact O-N 2.92Å; L228-K230 VanDerWaalsContact C-N 3.28Å; L228-M234 HydrophobicContact CD2-CE 3.93Å; L228-M234 HydrophobicContact CD2-SD 4.29Å; L228-M234 HydrophobicContact CG-CE 4.17Å; L228-I269 HydrophobicContact CD1-CG2 4.07Å; L228-K272 HydrophobicContact CB-CD 4.28Å; L228-K272 HydrophobicContact CB-CG 4.37Å; L228-K272 HydrophobicContact CD1-CB 4.06Å; L228-K272 HydrophobicContact CD1-CD 4.18Å; L228-K272 HydrophobicContact CD1-CG 4.1Å; L228-A273 HydrophobicContact CD1-CB 4.27Å; L228-A273 HydrophobicContact CD2-CB 3.77Å; L228-N276 PolarHBondContact O-ND2 3.43Å; L228-V278 HydrophobicContact CD2-CB 3.95Å; L228-V278 HydrophobicContact CD2-CG1 3.76Å; L228-V278 HydrophobicContact CD2-CG2 4.05Å; L228-V278 WeakPolarHBondContact O-CG2 3.26Å; L228-I280 HydrophobicContact CD2-CD1 4.46Å
229D95.3Very high95Very high84 Ų8430 Ų3045%0.44915%0.154SC..THydrogen-bonded Turntrans-84.5-4.5174.3-62.3-39.2000112.9N226 M227 K272 N276N226-D229 PolarHBondContact O-N 3.4Å; N226-D229 VanDerWaalsContact O-N 3.15Å; M227-D229 PolarHBondContact O-N 2.9Å; M227-D229 VanDerWaalsContact O-N 3.14Å; D229-K272 WeakPolarHBondContact OD1-CE 3.47Å; D229-K272 IonicContact OD1-NZ 2.96Å; D229-K272 PolarHBondContact OD1-NZ 3.33Å; D229-K272 IonicContact OD2-NZ 2.7Å; D229-K272 PolarHBondContact OD2-NZ 2.86Å; D229-N276 PolarHBondContact OD1-ND2 3Å
230K94.9Very high95.4Very high67 Ų6725 Ų2529%0.29113%0.127SC..THydrogen-bonded Turntrans-122.2-44.8-170.3-58.5-66.1-179.2166.20112.8L201 R206 F208 M227 L228L201-K230 PolarHBondContact O-NZ 2.92Å; R206-K230 PolarHBondContact NH1-O 2.9Å; R206-K230 PolarHBondContact NH2-O 3.39Å; R206-K230 VanDerWaalsContact NH2-O 3.15Å; F208-K230 HydrophobicContact CD1-CB 4.42Å; F208-K230 HydrophobicContact CE1-CB 4.1Å; M227-K230 PolarHBondContact O-N 3.18Å; L228-K230 VanDerWaalsContact C-N 3.28Å
231V98.1Very high95.9Very high7 Ų723.5 Ų23.54%0.04212%0.121CC..  trans-80.8160.3-170.5-57.20000112.6F208 A210 M227 E233 M234 V278F208-V231 HydrophobicContact CD1-CB 4.44Å; F208-V231 HydrophobicContact CD1-CG1 3.86Å; F208-V231 HydrophobicContact CD2-CG1 4.26Å; F208-V231 HydrophobicContact CE1-CG1 3.86Å; F208-V231 HydrophobicContact CE2-CG1 4.23Å; F208-V231 HydrophobicContact CG-CB 4.48Å; F208-V231 HydrophobicContact CG-CG1 4.07Å; F208-V231 HydrophobicContact CZ-CG1 4.06Å; F208-V231 WeakPolarHBondContact O-CB 3.46Å; A210-V231 HydrophobicContact CB-CG1 3.72Å; M227-V231 HydrophobicContact CB-CG1 4.46Å; M227-V231 HydrophobicContact CE-CG1 3.6Å; M227-V231 WeakPolarHBondContact O-CG2 3.26Å; M227-V231 PolarHBondContact O-N 2.96Å; V231-E233 WeakPolarHBondContact CB-O 3.34Å; V231-E233 WeakPolarHBondContact CG2-O 3.31Å; V231-M234 HydrophobicContact CG2-CE 4.16Å; V231-V278 HydrophobicContact CG2-CG1 3.75Å; V231-V278 HydrophobicContact CG2-CG2 4.3Å; V231-V278 WeakPolarHBondContact O-CG2 3.49Å
232N98.4Very high96.3Very high52 Ų5222 Ų2228%0.27811%0.113SC..SBendtrans-92.2-32.3166.4-61.8100000110.7R206 P207 F208 V278 R279R206-N232 WeakPolarHBondContact CD-OD1 3.48Å; R206-N232 WeakPolarHBondContact CG-OD1 3.18Å; R206-N232 PolarHBondContact NH1-ND2 2.77Å; R206-N232 PolarHBondContact NH1-OD1 3.04Å; P207-N232 HydrophobicContact CB-CB 4.37Å; F208-N232 PolarHBondContact N-OD1 3.17Å; F208-N232 PolarHBondContact O-N 3.04Å; N232-V278 WeakPolarHBondContact O-CA 3.39Å; N232-R279 PolarHBondContact O-N 2.69Å
233E98.5Very high96.7Very high15 Ų1517.3 Ų17.37%0.079%0.091CC..EExtended strand (participates in β ladder)trans-139.2151.3-175.1-58.6-158.8-139.300111.4F208 L209 A210 V231 R279 V327F208-E233 PolarHBondContact O-N 2.83Å; L209-E233 WeakPolarHBondContact CA-O 3.26Å; L209-E233 HydrophobicContact CD1-CB 3.75Å; A210-E233 PolarHBondContact N-O 3.21Å; V231-E233 WeakPolarHBondContact CB-O 3.34Å; V231-E233 WeakPolarHBondContact CG2-O 3.31Å; E233-R279 CarbonylContact C-O 3.54Å; E233-R279 WeakPolarHBondContact CA-O 3.42Å; E233-R279 HydrophobicContact CG-CB 4.27Å; E233-R279 IonicContact OE1-CZ 3.89Å; E233-R279 IonicContact OE1-NE 2.67Å; E233-R279 IonicContact OE1-NH2 2.77Å; E233-R279 PolarHBondContact OE1-NH2 3.47Å; E233-R279 IonicContact OE2-CZ 2.8Å; E233-R279 IonicContact OE2-NE 2.89Å; E233-R279 PolarHBondContact OE2-NE 2.83Å; E233-R279 IonicContact OE2-NH2 3.66Å; E233-R279 PolarHBondContact OE2-NH2 2.99Å; E233-V327 HydrophobicContact CB-CG1 4.47Å; E233-V327 WeakPolarHBondContact OE2-CG1 3.46Å
234M98.7Very high97Very high0 Ų017.4 Ų17.40%09%0.091CC..EExtended strand (participates in β ladder)trans-139.7126.6176.4-171.8174.2-73.300111A210 L212 I224 M227 L228 V231 I236 V278 R279 I280 T281A210-M234 HydrophobicContact CB-CE 4.18Å; A210-M234 HydrophobicContact CB-CG 4.37Å; A210-M234 CarbonylContact O-C 3.53Å; A210-M234 WeakPolarHBondContact O-CA 3.4Å; L212-M234 HydrophobicContact CD1-CE 3.9Å; L212-M234 HydrophobicContact CD1-CG 4.38Å; L212-M234 HydrophobicContact CD1-SD 3.75Å; I224-M234 HydrophobicContact CG2-CE 4.43Å; I224-M234 HydrophobicContact CG2-SD 4.04Å; M227-M234 HydrophobicContact CB-CE 3.69Å; L228-M234 HydrophobicContact CD2-CE 3.93Å; L228-M234 HydrophobicContact CD2-SD 4.29Å; L228-M234 HydrophobicContact CG-CE 4.17Å; V231-M234 HydrophobicContact CG2-CE 4.16Å; M234-I236 HydrophobicContact CG-CG1 4.05Å; M234-I236 HydrophobicContact SD-CD1 4.15Å; M234-I236 HydrophobicContact SD-CG1 4.13Å; M234-V278 HydrophobicContact CB-CG1 4.25Å; M234-R279 PolarHBondContact N-O 3.39Å; M234-I280 HydrophobicContact CB-CG1 4.36Å; M234-I280 CarbonylContact O-C 3.51Å; M234-I280 VanDerWaalsContact O-CA 3.3Å; M234-I280 WeakPolarHBondContact O-CA 3.42Å; M234-T281 PolarHBondContact O-N 3.46Å
235I98.8Very high97.2Very high0 Ų017.6 Ų17.60%09%0.092CC..EExtended strand (participates in β ladder)trans-93.8130.3164.7-69167.8000107.8L209 A210 I211 L212 T281 H324 V327 L340L209-I235 HydrophobicContact CD1-CD1 4.36Å; L209-I235 HydrophobicContact CD1-CG1 4.18Å; L209-I235 HydrophobicContact CD2-CD1 4.33Å; A210-I235 PolarHBondContact O-N 2.98Å; I211-I235 HydrophobicContact CB-CB 4.49Å; I211-I235 HydrophobicContact CG1-CB 4.36Å; I211-I235 HydrophobicContact CG1-CD1 4.23Å; I211-I235 HydrophobicContact CG2-CB 4.14Å; I211-I235 HydrophobicContact CG2-CG2 4.13Å; L212-I235 PolarHBondContact N-O 3.36Å; I235-T281 WeakPolarHBondContact CA-O 3.36Å; I235-H324 HydrophobicContact CD1-CB 4.1Å; I235-V327 HydrophobicContact CD1-CB 4.22Å; I235-V327 HydrophobicContact CD1-CG1 3.97Å; I235-V327 HydrophobicContact CG1-CG1 4.15Å; I235-L340 HydrophobicContact CG2-CD2 4.41Å
236I98.3Very high97.4Very high0 Ų017.9 Ų17.90%09%0.094CC..EExtended strand (participates in β ladder)trans-116.8111.4171.3-61.1179.8000108.1L212 M234 M240 F244 I280 T281 F282 P283L212-I236 WeakPolarHBondContact O-CA 3.42Å; M234-I236 HydrophobicContact CG-CG1 4.05Å; M234-I236 HydrophobicContact SD-CD1 4.15Å; M234-I236 HydrophobicContact SD-CG1 4.13Å; I236-M240 HydrophobicContact CG2-CE 3.97Å; I236-M240 HydrophobicContact CG2-CG 4.29Å; I236-F244 HydrophobicContact CD1-CE1 4.01Å; I236-F244 HydrophobicContact CD1-CE2 4.22Å; I236-F244 HydrophobicContact CD1-CZ 3.84Å; I236-F244 HydrophobicContact CG2-CD2 4.08Å; I236-F244 HydrophobicContact CG2-CE2 4.11Å; I236-I280 HydrophobicContact CD1-CG2 3.95Å; I236-I280 HydrophobicContact CG1-CG2 4.2Å; I236-T281 PolarHBondContact N-O 3.11Å; I236-F282 HydrophobicContact CB-CD1 3.84Å; I236-F282 HydrophobicContact CB-CE1 3.68Å; I236-F282 HydrophobicContact CD1-CE1 3.81Å; I236-F282 HydrophobicContact CD1-CZ 4.2Å; I236-F282 HydrophobicContact CG1-CE1 4.22Å; I236-F282 HydrophobicContact CG2-CD1 4.2Å; I236-F282 HydrophobicContact CG2-CE1 3.93Å; I236-P283 WeakPolarHBondContact O-CD 3.15Å
237G97.6Very high97.6Very high1 Ų118.6 Ų18.61%0.0110%0.099CC..  trans-128.6-159.2178.100000112.8L212 M240L212-G237 PolarHBondContact O-N 3.15Å; G237-M240 WeakPolarHBondContact O-CG 3.23Å
238G97.2Very high97.7Very high8 Ų821.7 Ų21.78%0.08212%0.115CC..SBendtrans68.3-168.7-17700000113.2G214 M240 A241 L340G214-G238 CarbonylContact O-C 3.53Å; G238-M240 PolarHBondContact O-N 2.83Å; G238-A241 WeakPolarHBondContact O-CB 3.31Å; G238-A241 PolarHBondContact O-N 3.06Å; G238-L340 VanDerWaalsContact CA-O 3.24Å; G238-L340 WeakPolarHBondContact CA-O 3.29Å; G238-L340 PolarHBondContact N-O 2.85Å; G238-L340 VanDerWaalsContact N-O 3.11Å
239G96.9Very high97.7Very high15 Ų1526.1 Ų26.116%0.15514%0.139CC..THydrogen-bonded Turntrans-59.8-29.8178.100000113.6G214 A215 A241 Y242G214-G239 PolarHBondContact O-N 3.04Å; A215-G239 CarbonylContact O-C 3.52Å; G239-A241 PolarHBondContact O-N 3.4Å; G239-Y242 VanDerWaalsContact O-CD2 3.22Å; G239-Y242 WeakPolarHBondContact O-CD2 3.35Å; G239-Y242 PolarHBondContact O-N 3.37Å
240M95.9Very high97.8Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-67-22.6179.365.2175.7-67.400113.7G214 A215 V217 K220 I224 I236 G237 G238 Y242 T243 F244G214-M240 PolarHBondContact O-N 3.17Å; G214-M240 VanDerWaalsContact O-N 3.11Å; A215-M240 PolarHBondContact O-N 3.4Å; V217-M240 HydrophobicContact CG2-CB 3.73Å; V217-M240 HydrophobicContact CG2-CE 4.27Å; K220-M240 HydrophobicContact CB-CE 4.31Å; K220-M240 HydrophobicContact CG-SD 4.25Å; I224-M240 HydrophobicContact CD1-CE 3.72Å; I236-M240 HydrophobicContact CG2-CE 3.97Å; I236-M240 HydrophobicContact CG2-CG 4.29Å; G237-M240 WeakPolarHBondContact O-CG 3.23Å; G238-M240 PolarHBondContact O-N 2.83Å; M240-Y242 VanDerWaalsContact C-N 3.27Å; M240-Y242 PolarHBondContact O-N 2.84Å; M240-T243 PolarHBondContact O-N 2.96Å; M240-F244 HydrophobicContact CE-CE2 4.05Å; M240-F244 WeakPolarHBondContact O-CD2 3.07Å
241A98.1Very high98Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-63.7-31.6178.700000112.8G238 G239 T243 F244 L245 P283G238-A241 WeakPolarHBondContact O-CB 3.31Å; G238-A241 PolarHBondContact O-N 3.06Å; G239-A241 PolarHBondContact O-N 3.4Å; A241-T243 VanDerWaalsContact C-N 3.3Å; A241-T243 PolarHBondContact O-N 3.45Å; A241-F244 WeakPolarHBondContact O-CB 3.19Å; A241-F244 PolarHBondContact O-N 3.49Å; A241-F244 VanDerWaalsContact O-N 3.11Å; A241-L245 WeakPolarHBondContact O-CG 3.36Å; A241-L245 PolarHBondContact O-N 3.47Å; A241-P283 HydrophobicContact CB-CG 3.82Å
242Y98.5Very high98Very high8 Ų832 Ų323%0.03117%0.169CC..Hα-helixtrans-64.1-35179.5-58.7-63.9000112.4G239 M240 F244 L245 K246 I253 L257 F286 I307 G313G239-Y242 VanDerWaalsContact O-CD2 3.22Å; G239-Y242 WeakPolarHBondContact O-CD2 3.35Å; G239-Y242 PolarHBondContact O-N 3.37Å; M240-Y242 VanDerWaalsContact C-N 3.27Å; M240-Y242 PolarHBondContact O-N 2.84Å; Y242-F244 VanDerWaalsContact C-N 3.35Å; Y242-F244 PolarHBondContact O-N 3.43Å; Y242-L245 PolarHBondContact O-N 3.4Å; Y242-K246 VanDerWaalsContact O-CB 3.24Å; Y242-K246 WeakPolarHBondContact O-CB 3.45Å; Y242-K246 PolarHBondContact O-N 2.77Å; Y242-I253 HydrophobicContact CD1-CG2 4.39Å; Y242-L257 WeakPolarHBondContact CB-O 3.16Å; Y242-F286 HydrophobicContact CD1-CE1 4.4Å; Y242-F286 AromaticContact CE1-CD1 3.49Å; Y242-F286 HydrophobicContact CE1-CD1 3.49Å; Y242-F286 VanDerWaalsContact CE1-CD1 3.49Å; Y242-F286 AromaticContact CE1-CE1 3.67Å; Y242-F286 HydrophobicContact CE1-CE1 3.67Å; Y242-F286 HydrophobicContact CE1-CG 4.11Å; Y242-F286 HydrophobicContact CE1-CZ 4.47Å; Y242-F286 AromaticContact CZ-CD1 3.91Å; Y242-F286 WeakPolarHBondContact OH-CD1 3.3Å; Y242-I307 HydrophobicContact CD1-CD1 4.12Å; Y242-I307 HydrophobicContact CE1-CD1 3.69Å; Y242-G313 WeakPolarHBondContact CE2-O 3.36Å; Y242-G313 VanDerWaalsContact CZ-O 3.28Å; Y242-G313 WeakPolarHBondContact OH-CA 3.38Å; Y242-G313 PolarHBondContact OH-O 3.02Å
243T98.3Very high98Very high2 Ų229.9 Ų29.91%0.01216%0.157CC..Hα-helixtrans-61.4-42.7172.8-59.40000111.6V217 M240 A241 V247 F258 D259 A263 V266V217-T243 HydrophobicContact CG2-CG2 3.99Å; M240-T243 PolarHBondContact O-N 2.96Å; A241-T243 VanDerWaalsContact C-N 3.3Å; A241-T243 PolarHBondContact O-N 3.45Å; T243-V247 VanDerWaalsContact O-CG2 3.28Å; T243-V247 WeakPolarHBondContact O-CG2 3.42Å; T243-V247 PolarHBondContact O-N 3.46Å; T243-F258 HydrophobicContact CG2-CD2 4.27Å; T243-F258 HydrophobicContact CG2-CE2 4.01Å; T243-D259 HydrophobicContact CG2-CB 4.44Å; T243-D259 WeakPolarHBondContact CG2-O 3.34Å; T243-D259 PolarHBondContact OG1-N 3.25Å; T243-D259 VanDerWaalsContact OG1-N 3.08Å; T243-A263 HydrophobicContact CG2-CB 3.85Å; T243-V266 HydrophobicContact CG2-CG2 4.21Å
244F98.3Very high98Very high1 Ų130.9 Ų30.90%0.00417%0.172CC..Hα-helixtrans-65.1-50.8176.6-79.1-97.5000111.6V217 I224 I236 M240 A241 Y242 K246 V247 L248 V266 I269 M270 F282V217-F244 HydrophobicContact CG1-CE2 4.13Å; V217-F244 HydrophobicContact CG2-CD2 4.21Å; V217-F244 HydrophobicContact CG2-CE2 3.87Å; I224-F244 HydrophobicContact CD1-CZ 4.41Å; I236-F244 HydrophobicContact CD1-CE1 4.01Å; I236-F244 HydrophobicContact CD1-CE2 4.22Å; I236-F244 HydrophobicContact CD1-CZ 3.84Å; I236-F244 HydrophobicContact CG2-CD2 4.08Å; I236-F244 HydrophobicContact CG2-CE2 4.11Å; M240-F244 HydrophobicContact CE-CE2 4.05Å; M240-F244 WeakPolarHBondContact O-CD2 3.07Å; A241-F244 WeakPolarHBondContact O-CB 3.19Å; A241-F244 PolarHBondContact O-N 3.49Å; A241-F244 VanDerWaalsContact O-N 3.11Å; Y242-F244 VanDerWaalsContact C-N 3.35Å; Y242-F244 PolarHBondContact O-N 3.43Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 3.42Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-V247 VanDerWaalsContact O-N 3.16Å; F244-L248 HydrophobicContact CB-CD1 4.4Å; F244-L248 HydrophobicContact CD1-CD1 4.29Å; F244-L248 WeakPolarHBondContact O-CB 3.29Å; F244-L248 VanDerWaalsContact O-CG 3.27Å; F244-L248 WeakPolarHBondContact O-CG 3.33Å; F244-L248 PolarHBondContact O-N 3Å; F244-V266 HydrophobicContact CD1-CB 4.34Å; F244-V266 HydrophobicContact CD1-CG1 3.6Å; F244-V266 HydrophobicContact CD1-CG2 4.05Å; F244-V266 HydrophobicContact CD2-CG2 4.42Å; F244-V266 HydrophobicContact CE1-CB 4.44Å; F244-V266 HydrophobicContact CE1-CG1 4.04Å; F244-V266 HydrophobicContact CE1-CG2 4.18Å; F244-V266 HydrophobicContact CG-CG1 4.24Å; F244-V266 HydrophobicContact CG-CG2 4.18Å; F244-V266 HydrophobicContact CZ-CG2 4.41Å; F244-I269 HydrophobicContact CE1-CB 4.35Å; F244-I269 HydrophobicContact CE1-CD1 4.37Å; F244-I269 HydrophobicContact CE1-CG2 3.93Å; F244-I269 HydrophobicContact CZ-CD1 3.86Å; F244-I269 HydrophobicContact CZ-CG2 4.21Å; F244-M270 HydrophobicContact CD1-SD 4.43Å; F244-M270 HydrophobicContact CE1-SD 4.45Å; F244-F282 HydrophobicContact CB-CD1 4.15Å; F244-F282 HydrophobicContact CB-CE1 3.52Å; F244-F282 HydrophobicContact CB-CZ 3.97Å; F244-F282 AromaticContact CD1-CE1 3.56Å; F244-F282 HydrophobicContact CD1-CE1 3.56Å; F244-F282 AromaticContact CD1-CZ 3.47Å; F244-F282 HydrophobicContact CD1-CZ 3.47Å; F244-F282 VanDerWaalsContact CD1-CZ 3.47Å; F244-F282 HydrophobicContact CD2-CE1 4.23Å; F244-F282 HydrophobicContact CE1-CE1 4.32Å; F244-F282 HydrophobicContact CE1-CZ 4.19Å; F244-F282 AromaticContact CG-CE1 3.51Å; F244-F282 HydrophobicContact CG-CE1 3.51Å; F244-F282 AromaticContact CG-CZ 3.9Å; F244-F282 HydrophobicContact CG-CZ 3.9Å
245L98.5Very high98Very high4 Ų433.3 Ų33.32%0.02119%0.192CC..Hα-helixtrans-65.2-36.6-176.4-67.4167.4000112.4A241 Y242 N249 N250 M251 F282 P283 F286 V303A241-L245 WeakPolarHBondContact O-CG 3.36Å; A241-L245 PolarHBondContact O-N 3.47Å; Y242-L245 PolarHBondContact O-N 3.4Å; L245-N249 WeakPolarHBondContact O-CA 3.48Å; L245-N249 WeakPolarHBondContact O-CB 3.44Å; L245-N249 PolarHBondContact O-N 2.81Å; L245-N250 PolarHBondContact O-N 3.47Å; L245-M251 HydrophobicContact CB-CB 4.27Å; L245-M251 HydrophobicContact CB-SD 3.87Å; L245-M251 HydrophobicContact CD1-SD 3.99Å; L245-M251 HydrophobicContact CG-SD 4.49Å; L245-M251 PolarHBondContact O-N 3.4Å; L245-F282 HydrophobicContact CD2-CB 4.16Å; L245-P283 HydrophobicContact CD1-CG 4.35Å; L245-F286 HydrophobicContact CD1-CE1 3.86Å; L245-F286 HydrophobicContact CD1-CE2 4.39Å; L245-F286 HydrophobicContact CD1-CZ 3.36Å; L245-V303 HydrophobicContact CD1-CG2 4.32Å; L245-V303 HydrophobicContact CD2-CG2 3.99Å
246K98.4Very high98Very high80 Ų8033.8 Ų33.835%0.34820%0.195SC..Hα-helixtrans-63-43.8172.8-173.3169.7-179.7-177.90111.6Y242 F244 N250 I253 F258Y242-K246 VanDerWaalsContact O-CB 3.24Å; Y242-K246 WeakPolarHBondContact O-CB 3.45Å; Y242-K246 PolarHBondContact O-N 2.77Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 3.42Å; K246-N250 WeakPolarHBondContact O-CA 3.4Å; K246-N250 PolarHBondContact O-N 3.37Å; K246-N250 VanDerWaalsContact O-N 3.15Å; K246-I253 HydrophobicContact CB-CD1 4.4Å; K246-I253 HydrophobicContact CB-CG2 4.18Å; K246-I253 HydrophobicContact CD-CD1 3.63Å; K246-I253 HydrophobicContact CD-CG1 4Å; K246-F258 HydrophobicContact CB-CE2 4.25Å; K246-F258 HydrophobicContact CD-CD2 3.78Å; K246-F258 HydrophobicContact CD-CE2 3.65Å; K246-F258 HydrophobicContact CD-CG 4.34Å; K246-F258 HydrophobicContact CD-CZ 4.07Å; K246-F258 HydrophobicContact CG-CE2 4.25Å
247V98.1Very high97.9Very high44 Ų4438.4 Ų38.427%0.26722%0.219SC..Hα-helixtrans-74.4-39.3-178.61740000112.7T243 F244 A263 V266 K267T243-V247 VanDerWaalsContact O-CG2 3.28Å; T243-V247 WeakPolarHBondContact O-CG2 3.42Å; T243-V247 PolarHBondContact O-N 3.46Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-V247 VanDerWaalsContact O-N 3.16Å; V247-A263 HydrophobicContact CG2-CB 3.73Å; V247-V266 HydrophobicContact CB-CB 4.21Å; V247-V266 HydrophobicContact CB-CG1 4.02Å; V247-V266 HydrophobicContact CB-CG2 4.44Å; V247-V266 HydrophobicContact CG1-CB 3.96Å; V247-V266 HydrophobicContact CG1-CG1 3.87Å; V247-V266 HydrophobicContact CG2-CB 4.5Å; V247-V266 HydrophobicContact CG2-CG2 4.37Å; V247-K267 HydrophobicContact CG1-CG 4.38Å
248L97.8Very high97.9Very high66 Ų6641.7 Ų41.735%0.34623%0.234SC..Hα-helixtrans-87.2-35.6-172.9-63.5176.1000113.1F244 V266 M270 F282F244-L248 HydrophobicContact CB-CD1 4.4Å; F244-L248 HydrophobicContact CD1-CD1 4.29Å; F244-L248 WeakPolarHBondContact O-CB 3.29Å; F244-L248 VanDerWaalsContact O-CG 3.27Å; F244-L248 WeakPolarHBondContact O-CG 3.33Å; F244-L248 PolarHBondContact O-N 3Å; L248-V266 HydrophobicContact CD1-CG1 4.17Å; L248-V266 HydrophobicContact CD2-CG1 3.81Å; L248-V266 HydrophobicContact CG-CG1 3.78Å; L248-M270 HydrophobicContact CD1-CE 4.41Å; L248-M270 HydrophobicContact CD1-CG 3.85Å; L248-M270 HydrophobicContact CD1-SD 4.01Å; L248-M270 HydrophobicContact CD2-CG 3.87Å; L248-M270 HydrophobicContact CG-CG 4.49Å; L248-F282 HydrophobicContact CD1-CE2 3.9Å; L248-F282 HydrophobicContact CD1-CZ 4.03Å
249N97.4Very high97.8Very high94 Ų9442.5 Ų42.550%0.50324%0.236SC..Hα-helixtrans-115.5-1.3-173.3-58.695.4000113.1L245 M251 V303L245-N249 WeakPolarHBondContact O-CA 3.48Å; L245-N249 WeakPolarHBondContact O-CB 3.44Å; L245-N249 PolarHBondContact O-N 2.81Å; N249-M251 HydrophobicContact CB-CB 4.48Å; N249-M251 PolarHBondContact O-N 2.72Å; N249-V303 HydrophobicContact CB-CG1 4.12Å
250N97.7Very high97.7Very high143 Ų14348.4 Ų48.477%0.76526%0.259SS*.  trans52.333.9-170.2-162.454.1000112.2L245 K246L245-N250 PolarHBondContact O-N 3.47Å; K246-N250 WeakPolarHBondContact O-CA 3.4Å; K246-N250 PolarHBondContact O-N 3.37Å; K246-N250 VanDerWaalsContact O-N 3.15Å
251M98.3Very high97.6Very high7 Ų753.8 Ų53.83%0.03428%0.284CS..  trans-65.6135.2-177.9-179-173.2168.700110.4L245 N249 I253 F286 V303 I307L245-M251 HydrophobicContact CB-CB 4.27Å; L245-M251 HydrophobicContact CB-SD 3.87Å; L245-M251 HydrophobicContact CD1-SD 3.99Å; L245-M251 HydrophobicContact CG-SD 4.49Å; L245-M251 PolarHBondContact O-N 3.4Å; N249-M251 HydrophobicContact CB-CB 4.48Å; N249-M251 PolarHBondContact O-N 2.72Å; M251-I253 HydrophobicContact CB-CG2 4.5Å; M251-I253 HydrophobicContact CG-CG2 4.3Å; M251-I253 PolarHBondContact O-N 2.94Å; M251-I253 HydrophobicContact SD-CG2 4.4Å; M251-F286 HydrophobicContact CE-CD2 3.75Å; M251-F286 HydrophobicContact CE-CE2 3.37Å; M251-F286 HydrophobicContact CE-CZ 4.1Å; M251-F286 HydrophobicContact SD-CE2 3.94Å; M251-F286 HydrophobicContact SD-CZ 4.22Å; M251-V303 HydrophobicContact CB-CG1 4.48Å; M251-V303 HydrophobicContact CG-CG1 4.42Å; M251-V303 HydrophobicContact SD-CB 4.24Å; M251-V303 HydrophobicContact SD-CG1 4.25Å; M251-V303 HydrophobicContact SD-CG2 4.02Å; M251-I307 HydrophobicContact CE-CD1 4.14Å; M251-I307 HydrophobicContact CE-CG1 3.94Å
252E98.6Very high97.2Very high131 Ų13153.8 Ų53.861%0.61228%0.284SS*.  trans-70.6121.7166.4-64.5-176.1-179.500109.5G306 I307E252-G306 CarbonylContact O-C 3.6Å; E252-G306 WeakPolarHBondContact O-CA 3.31Å; E252-I307 PolarHBondContact O-N 2.82Å
253I98.6Very high97.1Very high8 Ų854.1 Ų54.14%0.04129%0.289CS..BIsolated β-bridgetrans-1125.8-174.665168.5000113.6Y242 K246 M251 A255 S256 F258Y242-I253 HydrophobicContact CD1-CG2 4.39Å; K246-I253 HydrophobicContact CB-CD1 4.4Å; K246-I253 HydrophobicContact CB-CG2 4.18Å; K246-I253 HydrophobicContact CD-CD1 3.63Å; K246-I253 HydrophobicContact CD-CG1 4Å; M251-I253 HydrophobicContact CB-CG2 4.5Å; M251-I253 HydrophobicContact CG-CG2 4.3Å; M251-I253 PolarHBondContact O-N 2.94Å; M251-I253 HydrophobicContact SD-CG2 4.4Å; I253-A255 PolarHBondContact O-N 3.19Å; I253-S256 WeakPolarHBondContact O-CB 3.39Å; I253-S256 PolarHBondContact O-N 2.94Å; I253-S256 PolarHBondContact O-OG 2.8Å; I253-F258 HydrophobicContact CD1-CB 3.92Å; I253-F258 HydrophobicContact CD1-CD2 4.09Å; I253-F258 HydrophobicContact CD1-CG 4.26Å
254G98.4Very high97Very high36 Ų3660.6 Ų60.637%0.37132%0.317SS..THydrogen-bonded Turntrans53.7-129-174.600000112.5I307 P308 W311G254-I307 PolarHBondContact N-O 2.86Å; G254-P308 WeakPolarHBondContact CA-O 3.15Å; G254-W311 CarbonylContact C-O 3.6Å; G254-W311 WeakPolarHBondContact CA-O 3.14Å
255A98.2Very high96.8Very high52 Ų5261.9 Ų61.943%0.4332%0.324SS..THydrogen-bonded Turntrans-94.114.9175.900000113.4I253 W311 M312I253-A255 PolarHBondContact O-N 3.19Å; A255-W311 PolarHBondContact N-O 2.74Å; A255-M312 HydrophobicContact CB-CE 4.04Å
256S98.5Very high96.7Very high9 Ų961.7 Ų61.76%0.06332%0.323CS..SBendtrans-60.5156175.7-51.10000111.7I253 F258 I307 M312 G313I253-S256 WeakPolarHBondContact O-CB 3.39Å; I253-S256 PolarHBondContact O-N 2.94Å; I253-S256 PolarHBondContact O-OG 2.8Å; S256-F258 PolarHBondContact O-N 2.9Å; S256-I307 WeakPolarHBondContact OG-CD1 3.18Å; S256-M312 WeakPolarHBondContact OG-CA 3.3Å; S256-G313 PolarHBondContact OG-N 3.02Å
257L97.2Very high96.6Very high97 Ų9764.4 Ų64.451%0.50834%0.335SS..  trans-55.3128178.5-69.6177.5000111.1A215 Y242A215-L257 HydrophobicContact CB-CD1 3.79Å; Y242-L257 WeakPolarHBondContact CB-O 3.16Å
258F97.5Very high96.5Very high71 Ų7167 Ų6731%0.31135%0.347SS..  trans-131129.8175-175.1-118000109.4T243 K246 I253 S256 E260 A263T243-F258 HydrophobicContact CG2-CD2 4.27Å; T243-F258 HydrophobicContact CG2-CE2 4.01Å; K246-F258 HydrophobicContact CB-CE2 4.25Å; K246-F258 HydrophobicContact CD-CD2 3.78Å; K246-F258 HydrophobicContact CD-CE2 3.65Å; K246-F258 HydrophobicContact CD-CG 4.34Å; K246-F258 HydrophobicContact CD-CZ 4.07Å; K246-F258 HydrophobicContact CG-CE2 4.25Å; I253-F258 HydrophobicContact CD1-CB 3.92Å; I253-F258 HydrophobicContact CD1-CD2 4.09Å; I253-F258 HydrophobicContact CD1-CG 4.26Å; S256-F258 PolarHBondContact O-N 2.9Å; F258-E260 HydrophobicContact CD1-CG 3.87Å; F258-E260 HydrophobicContact CE1-CB 4.46Å; F258-E260 HydrophobicContact CE1-CG 3.77Å; F258-A263 HydrophobicContact CE2-CB 3.93Å; F258-A263 HydrophobicContact CZ-CB 3.65Å
259D94.9Very high96.4Very high25 Ų2563.9 Ų63.913%0.13433%0.331CS..  trans-109.7100.5180179.9-3.8000108.8V217 A218 T243 E261 G262 A263V217-D259 PolarHBondContact N-OD2 3.05Å; A218-D259 VanDerWaalsContact CB-OD2 3.26Å; A218-D259 WeakPolarHBondContact CB-OD2 3.41Å; A218-D259 PolarHBondContact N-OD2 3.15Å; T243-D259 HydrophobicContact CG2-CB 4.44Å; T243-D259 WeakPolarHBondContact CG2-O 3.34Å; T243-D259 PolarHBondContact OG1-N 3.25Å; T243-D259 VanDerWaalsContact OG1-N 3.08Å; D259-E261 VanDerWaalsContact C-N 3.33Å; D259-E261 PolarHBondContact O-N 2.84Å; D259-E261 PolarHBondContact OD1-N 2.93Å; D259-G262 CarbonylContact O-C 3.57Å; D259-G262 PolarHBondContact O-N 3.43Å; D259-G262 PolarHBondContact OD1-N 2.93Å; D259-A263 WeakPolarHBondContact O-CB 3.43Å; D259-A263 PolarHBondContact O-N 2.71Å
260E94.9Very high96.5Very high138 Ų13861.9 Ų61.965%0.64532%0.319SS*.Hα-helixtrans-63-38-175.5-62.1-168.6162.200112.7F258 A263F258-E260 HydrophobicContact CD1-CG 3.87Å; F258-E260 HydrophobicContact CE1-CB 4.46Å; F258-E260 HydrophobicContact CE1-CG 3.77Å; E260-A263 WeakPolarHBondContact O-CB 3.49Å; E260-A263 PolarHBondContact O-N 3.28Å
261E92.4Very high96.5Very high113 Ų11359.2 Ų59.253%0.52831%0.308SS..Hα-helixtrans-72.2-41.8176.9-66.9-54.1132.600110.7D259 A263 K264D259-E261 VanDerWaalsContact C-N 3.33Å; D259-E261 PolarHBondContact O-N 2.84Å; D259-E261 PolarHBondContact OD1-N 2.93Å; E261-A263 VanDerWaalsContact C-N 3.29Å; E261-A263 PolarHBondContact O-N 3.4Å; E261-K264 PolarHBondContact O-N 3.18Å; E261-K264 IonicContact OE1-NZ 3.73Å; E261-K264 PolarHBondContact OE1-NZ 3.5Å; E261-K264 IonicContact OE2-NZ 3.15Å; E261-K264 PolarHBondContact OE2-NZ 3.34Å
262G91.6Very high96.5Very high0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-60.4-35.6172.500000113.4D259 K264 I265D259-G262 CarbonylContact O-C 3.57Å; D259-G262 PolarHBondContact O-N 3.43Å; D259-G262 PolarHBondContact OD1-N 2.93Å; G262-K264 VanDerWaalsContact C-N 3.26Å; G262-K264 PolarHBondContact O-N 2.97Å; G262-I265 WeakPolarHBondContact O-CG1 3.23Å; G262-I265 PolarHBondContact O-N 2.86Å
263A95.5Very high96.5Very high15 Ų1555.5 Ų55.512%0.12429%0.29CS..Hα-helixtrans-60-36.3-179.800000112.6T243 V247 F258 D259 E260 E261 I265 V266T243-A263 HydrophobicContact CG2-CB 3.85Å; V247-A263 HydrophobicContact CG2-CB 3.73Å; F258-A263 HydrophobicContact CE2-CB 3.93Å; F258-A263 HydrophobicContact CZ-CB 3.65Å; D259-A263 WeakPolarHBondContact O-CB 3.43Å; D259-A263 PolarHBondContact O-N 2.71Å; E260-A263 WeakPolarHBondContact O-CB 3.49Å; E260-A263 PolarHBondContact O-N 3.28Å; E261-A263 VanDerWaalsContact C-N 3.29Å; E261-A263 PolarHBondContact O-N 3.4Å; A263-I265 PolarHBondContact O-N 3.19Å; A263-V266 PolarHBondContact O-N 2.71Å
264K95.4Very high96.4Very high138 Ų13862.9 Ų62.960%0.632%0.324SS*.THydrogen-bonded Turntrans-61-26.9-178.3-63.2173.4-168.2167.80112.9E261 G262E261-K264 PolarHBondContact O-N 3.18Å; E261-K264 IonicContact OE1-NZ 3.73Å; E261-K264 PolarHBondContact OE1-NZ 3.5Å; E261-K264 IonicContact OE2-NZ 3.15Å; E261-K264 PolarHBondContact OE2-NZ 3.34Å; G262-K264 VanDerWaalsContact C-N 3.26Å; G262-K264 PolarHBondContact O-N 2.97Å
265I94.6Very high96.4Very high29 Ų2969.7 Ų69.715%0.14934%0.343CS..THydrogen-bonded Turntrans-104.4-3.1-174.166.5138.9000114.1V217 I221 G262 A263 K267 D268 I269V217-I265 HydrophobicContact CG1-CD1 4.41Å; I221-I265 HydrophobicContact CB-CD1 3.97Å; I221-I265 HydrophobicContact CD1-CD1 3.54Å; I221-I265 HydrophobicContact CD1-CG1 4.15Å; I221-I265 HydrophobicContact CG1-CD1 3.4Å; I221-I265 VanDerWaalsContact CG1-CD1 3.4Å; I221-I265 HydrophobicContact CG1-CG1 4.44Å; I221-I265 HydrophobicContact CG2-CD1 3.54Å; G262-I265 WeakPolarHBondContact O-CG1 3.23Å; G262-I265 PolarHBondContact O-N 2.86Å; A263-I265 PolarHBondContact O-N 3.19Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 3.38Å; I265-D268 WeakPolarHBondContact O-CB 3.28Å; I265-D268 PolarHBondContact O-N 3.39Å; I265-D268 VanDerWaalsContact O-N 3.13Å; I265-I269 HydrophobicContact CD1-CD1 3.45Å; I265-I269 VanDerWaalsContact CD1-CD1 3.45Å; I265-I269 HydrophobicContact CD1-CG1 4.09Å; I265-I269 HydrophobicContact CG1-CD1 4.32Å; I265-I269 PolarHBondContact O-N 2.91Å
266V96.1Very high96.4Very high0 Ų070.3 Ų70.30%034%0.34CS..Hα-helixtrans-57.1-44.8-175.9163.20000111T243 F244 V247 L248 A263 D268 I269 M270T243-V266 HydrophobicContact CG2-CG2 4.21Å; F244-V266 HydrophobicContact CD1-CB 4.34Å; F244-V266 HydrophobicContact CD1-CG1 3.6Å; F244-V266 HydrophobicContact CD1-CG2 4.05Å; F244-V266 HydrophobicContact CD2-CG2 4.42Å; F244-V266 HydrophobicContact CE1-CB 4.44Å; F244-V266 HydrophobicContact CE1-CG1 4.04Å; F244-V266 HydrophobicContact CE1-CG2 4.18Å; F244-V266 HydrophobicContact CG-CG1 4.24Å; F244-V266 HydrophobicContact CG-CG2 4.18Å; F244-V266 HydrophobicContact CZ-CG2 4.41Å; V247-V266 HydrophobicContact CB-CB 4.21Å; V247-V266 HydrophobicContact CB-CG1 4.02Å; V247-V266 HydrophobicContact CB-CG2 4.44Å; V247-V266 HydrophobicContact CG1-CB 3.96Å; V247-V266 HydrophobicContact CG1-CG1 3.87Å; V247-V266 HydrophobicContact CG2-CB 4.5Å; V247-V266 HydrophobicContact CG2-CG2 4.37Å; L248-V266 HydrophobicContact CD1-CG1 4.17Å; L248-V266 HydrophobicContact CD2-CG1 3.81Å; L248-V266 HydrophobicContact CG-CG1 3.78Å; A263-V266 PolarHBondContact O-N 2.71Å; V266-D268 VanDerWaalsContact C-N 3.3Å; V266-D268 PolarHBondContact O-N 3.17Å; V266-I269 WeakPolarHBondContact O-CB 3.41Å; V266-I269 PolarHBondContact O-N 3.19Å; V266-M270 WeakPolarHBondContact O-CG 3.2Å; V266-M270 PolarHBondContact O-N 2.98Å
267K96.2Very high96.4Very high137 Ų13772.9 Ų72.960%0.59637%0.368SS*.Hα-helixtrans-63.2-36.6179.5-66.4-176.4-179.3179.20112.2V247 I265 M270 T271V247-K267 HydrophobicContact CG1-CG 4.38Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 3.38Å; K267-M270 PolarHBondContact O-N 3.48Å; K267-T271 WeakPolarHBondContact O-CB 3.31Å; K267-T271 PolarHBondContact O-N 2.83Å; K267-T271 PolarHBondContact O-OG1 3.24Å
268D96.6Very high96.5Very high98 Ų9868.8 Ų68.852%0.52435%0.347SS..Hα-helixtrans-67.2-40.9177-64.5-10.7000111.3I265 V266 T271 K272I265-D268 WeakPolarHBondContact O-CB 3.28Å; I265-D268 PolarHBondContact O-N 3.39Å; I265-D268 VanDerWaalsContact O-N 3.13Å; V266-D268 VanDerWaalsContact C-N 3.3Å; V266-D268 PolarHBondContact O-N 3.17Å; D268-T271 PolarHBondContact O-N 3.13Å; D268-K272 WeakPolarHBondContact O-CB 3.37Å; D268-K272 PolarHBondContact O-N 3.26Å
269I96.8Very high96.5Very high1 Ų171 Ų711%0.00535%0.353CS..Hα-helixtrans-59.6-49.4174.2-72.1174.2000110.2I224 L228 F244 I265 V266 T271 K272 A273I224-I269 HydrophobicContact CB-CD1 4.45Å; I224-I269 HydrophobicContact CD1-CD1 4.01Å; I224-I269 HydrophobicContact CG2-CD1 4.02Å; I224-I269 HydrophobicContact CG2-CG1 4.23Å; I224-I269 HydrophobicContact CG2-CG2 3.66Å; L228-I269 HydrophobicContact CD1-CG2 4.07Å; F244-I269 HydrophobicContact CE1-CB 4.35Å; F244-I269 HydrophobicContact CE1-CD1 4.37Å; F244-I269 HydrophobicContact CE1-CG2 3.93Å; F244-I269 HydrophobicContact CZ-CD1 3.86Å; F244-I269 HydrophobicContact CZ-CG2 4.21Å; I265-I269 HydrophobicContact CD1-CD1 3.45Å; I265-I269 VanDerWaalsContact CD1-CD1 3.45Å; I265-I269 HydrophobicContact CD1-CG1 4.09Å; I265-I269 HydrophobicContact CG1-CD1 4.32Å; I265-I269 PolarHBondContact O-N 2.91Å; V266-I269 WeakPolarHBondContact O-CB 3.41Å; V266-I269 PolarHBondContact O-N 3.19Å; I269-T271 VanDerWaalsContact C-N 3.34Å; I269-T271 PolarHBondContact O-N 3.23Å; I269-K272 PolarHBondContact O-N 3.43Å; I269-A273 WeakPolarHBondContact O-CB 3.14Å; I269-A273 PolarHBondContact O-N 2.97Å
270M98.1Very high96.7Very high51 Ų5171 Ų7125%0.25135%0.353SS..Hα-helixtrans-64.2-39.5-179.9-64.2-50.3-62.500112.1F244 L248 V266 K267 K272 A273 Q274 I280 F282F244-M270 HydrophobicContact CD1-SD 4.43Å; F244-M270 HydrophobicContact CE1-SD 4.45Å; L248-M270 HydrophobicContact CD1-CE 4.41Å; L248-M270 HydrophobicContact CD1-CG 3.85Å; L248-M270 HydrophobicContact CD1-SD 4.01Å; L248-M270 HydrophobicContact CD2-CG 3.87Å; L248-M270 HydrophobicContact CG-CG 4.49Å; V266-M270 WeakPolarHBondContact O-CG 3.2Å; V266-M270 PolarHBondContact O-N 2.98Å; K267-M270 PolarHBondContact O-N 3.48Å; M270-K272 PolarHBondContact O-N 3.44Å; M270-A273 PolarHBondContact O-N 3.43Å; M270-Q274 PolarHBondContact O-N 3.33Å; M270-I280 HydrophobicContact CE-CB 4.27Å; M270-I280 HydrophobicContact CE-CD1 3.94Å; M270-I280 HydrophobicContact SD-CD1 3.58Å; M270-I280 VanDerWaalsContact SD-CD1 3.58Å; M270-F282 HydrophobicContact CE-CE2 4Å; M270-F282 HydrophobicContact CE-CZ 4.4Å; M270-F282 HydrophobicContact SD-CE2 3.98Å; M270-F282 HydrophobicContact SD-CZ 3.78Å
271T98.1Very high96.9Very high88 Ų8865.4 Ų65.454%0.5433%0.328SS..Hα-helixtrans-61.7-44.6175.8-59.50000111K267 D268 I269 Q274 K275K267-T271 WeakPolarHBondContact O-CB 3.31Å; K267-T271 PolarHBondContact O-N 2.83Å; K267-T271 PolarHBondContact O-OG1 3.24Å; D268-T271 PolarHBondContact O-N 3.13Å; I269-T271 VanDerWaalsContact C-N 3.34Å; I269-T271 PolarHBondContact O-N 3.23Å; T271-Q274 PolarHBondContact O-N 3.01Å; T271-K275 WeakPolarHBondContact O-CB 3.32Å; T271-K275 PolarHBondContact O-N 3Å
272K98.1Very high97.2Very high57 Ų5761.6 Ų61.625%0.24831%0.31CS..Hα-helixtrans-64.4-42.2176.4-174.2174.5-175.9-177.80111.7K225 L228 D229 D268 I269 M270 K275 N276K225-K272 PolarHBondContact O-NZ 3.49Å; L228-K272 HydrophobicContact CB-CD 4.28Å; L228-K272 HydrophobicContact CB-CG 4.37Å; L228-K272 HydrophobicContact CD1-CB 4.06Å; L228-K272 HydrophobicContact CD1-CD 4.18Å; L228-K272 HydrophobicContact CD1-CG 4.1Å; D229-K272 WeakPolarHBondContact OD1-CE 3.47Å; D229-K272 IonicContact OD1-NZ 2.96Å; D229-K272 PolarHBondContact OD1-NZ 3.33Å; D229-K272 IonicContact OD2-NZ 2.7Å; D229-K272 PolarHBondContact OD2-NZ 2.86Å; D268-K272 WeakPolarHBondContact O-CB 3.37Å; D268-K272 PolarHBondContact O-N 3.26Å; I269-K272 PolarHBondContact O-N 3.43Å; M270-K272 PolarHBondContact O-N 3.44Å; K272-K275 PolarHBondContact O-N 3.29Å; K272-N276 WeakPolarHBondContact O-CB 3.41Å; K272-N276 PolarHBondContact O-N 2.86Å
273A98.3Very high97.5Very high2 Ų261.8 Ų61.82%0.01731%0.311CS..Hα-helixtrans-60.1-46.5176.700000111.6L228 I269 M270 N276 G277 V278 I280L228-A273 HydrophobicContact CD1-CB 4.27Å; L228-A273 HydrophobicContact CD2-CB 3.77Å; I269-A273 WeakPolarHBondContact O-CB 3.14Å; I269-A273 PolarHBondContact O-N 2.97Å; M270-A273 PolarHBondContact O-N 3.43Å; A273-N276 CarbonylContact O-C 3.56Å; A273-N276 PolarHBondContact O-N 3.15Å; A273-G277 PolarHBondContact O-N 3.38Å; A273-V278 HydrophobicContact CB-CB 4.19Å; A273-V278 PolarHBondContact O-N 3.49Å; A273-I280 HydrophobicContact CB-CD1 3.34Å; A273-I280 HydrophobicContact CB-CG1 3.9Å
274Q97.9Very high97.6Very high163 Ų16364 Ų6476%0.76232%0.323SS*.Hα-helixtrans-60.6-46.9175.4-174.4-179.68.300111.8M270 T271 N276 G277M270-Q274 PolarHBondContact O-N 3.33Å; T271-Q274 PolarHBondContact O-N 3.01Å; Q274-N276 VanDerWaalsContact C-N 3.26Å; Q274-N276 PolarHBondContact O-N 3.24Å; Q274-G277 PolarHBondContact O-N 3.09Å; Q274-G277 VanDerWaalsContact O-N 3.11Å
275K98.3Very high97.8Very high179 Ų17958.2 Ų58.278%0.77830%0.299SS*.Hα-helixtrans-57.6-39.1177.8-178.4-178.5176.9-178.60112.3T271 K272 G277T271-K275 WeakPolarHBondContact O-CB 3.32Å; T271-K275 PolarHBondContact O-N 3Å; K272-K275 PolarHBondContact O-N 3.29Å; K275-G277 VanDerWaalsContact C-N 3.35Å
276N98.1Very high98Very high66 Ų6657 Ų5735%0.35329%0.292SS..THydrogen-bonded Turntrans-89.71.1-178.5-69.44.4000113.2L228 D229 K272 A273 Q274 V278L228-N276 PolarHBondContact O-ND2 3.43Å; D229-N276 PolarHBondContact OD1-ND2 3Å; K272-N276 WeakPolarHBondContact O-CB 3.41Å; K272-N276 PolarHBondContact O-N 2.86Å; A273-N276 CarbonylContact O-C 3.56Å; A273-N276 PolarHBondContact O-N 3.15Å; Q274-N276 VanDerWaalsContact C-N 3.26Å; Q274-N276 PolarHBondContact O-N 3.24Å; N276-V278 VanDerWaalsContact C-N 3.28Å; N276-V278 HydrophobicContact CB-CG2 3.98Å; N276-V278 PolarHBondContact O-N 3.28Å
277G98.1Very high98.1Very high63 Ų6358.3 Ų58.365%0.64930%0.3SS*.THydrogen-bonded Turntrans66.426.5-177.700000114A273 Q274 K275A273-G277 PolarHBondContact O-N 3.38Å; Q274-G277 PolarHBondContact O-N 3.09Å; Q274-G277 VanDerWaalsContact O-N 3.11Å; K275-G277 VanDerWaalsContact C-N 3.35Å
278V98.6Very high98.3Very high11 Ų1151.9 Ų51.97%0.06727%0.272CS..PPolyproline II helixtrans-84.6123178.7-178.30000110.2L228 V231 N232 M234 A273 N276 I280L228-V278 HydrophobicContact CD2-CB 3.95Å; L228-V278 HydrophobicContact CD2-CG1 3.76Å; L228-V278 HydrophobicContact CD2-CG2 4.05Å; L228-V278 WeakPolarHBondContact O-CG2 3.26Å; V231-V278 HydrophobicContact CG2-CG1 3.75Å; V231-V278 HydrophobicContact CG2-CG2 4.3Å; V231-V278 WeakPolarHBondContact O-CG2 3.49Å; N232-V278 WeakPolarHBondContact O-CA 3.39Å; M234-V278 HydrophobicContact CB-CG1 4.25Å; A273-V278 HydrophobicContact CB-CB 4.19Å; A273-V278 PolarHBondContact O-N 3.49Å; N276-V278 VanDerWaalsContact C-N 3.28Å; N276-V278 HydrophobicContact CB-CG2 3.98Å; N276-V278 PolarHBondContact O-N 3.28Å; V278-I280 PolarHBondContact O-N 3.15Å
279R98.4Very high98.4Very high116 Ų11647.2 Ų47.244%0.43825%0.247SC..EExtended strand (participates in β ladder)trans-79.1116.2172.3-178170.272.1-176.9-0.8110N232 E233 M234N232-R279 PolarHBondContact O-N 2.69Å; E233-R279 CarbonylContact C-O 3.54Å; E233-R279 WeakPolarHBondContact CA-O 3.42Å; E233-R279 HydrophobicContact CG-CB 4.27Å; E233-R279 IonicContact OE1-CZ 3.89Å; E233-R279 IonicContact OE1-NE 2.67Å; E233-R279 IonicContact OE1-NH2 2.77Å; E233-R279 PolarHBondContact OE1-NH2 3.47Å; E233-R279 IonicContact OE2-CZ 2.8Å; E233-R279 IonicContact OE2-NE 2.89Å; E233-R279 PolarHBondContact OE2-NE 2.83Å; E233-R279 IonicContact OE2-NH2 3.66Å; E233-R279 PolarHBondContact OE2-NH2 2.99Å; M234-R279 PolarHBondContact N-O 3.39Å
280I98.4Very high98.4Very high26 Ų2649.8 Ų49.813%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-96.5130.4173.6-59.2-179.9000109.9L228 M234 I236 M270 A273 V278 F282L228-I280 HydrophobicContact CD2-CD1 4.46Å; M234-I280 HydrophobicContact CB-CG1 4.36Å; M234-I280 CarbonylContact O-C 3.51Å; M234-I280 VanDerWaalsContact O-CA 3.3Å; M234-I280 WeakPolarHBondContact O-CA 3.42Å; I236-I280 HydrophobicContact CD1-CG2 3.95Å; I236-I280 HydrophobicContact CG1-CG2 4.2Å; M270-I280 HydrophobicContact CE-CB 4.27Å; M270-I280 HydrophobicContact CE-CD1 3.94Å; M270-I280 HydrophobicContact SD-CD1 3.58Å; M270-I280 VanDerWaalsContact SD-CD1 3.58Å; A273-I280 HydrophobicContact CB-CD1 3.34Å; A273-I280 HydrophobicContact CB-CG1 3.9Å; V278-I280 PolarHBondContact O-N 3.15Å; I280-F282 HydrophobicContact CB-CE2 4.34Å; I280-F282 HydrophobicContact CG2-CD1 4.45Å; I280-F282 HydrophobicContact CG2-CD2 4.07Å; I280-F282 HydrophobicContact CG2-CE1 3.94Å; I280-F282 HydrophobicContact CG2-CE2 3.52Å; I280-F282 HydrophobicContact CG2-CZ 3.44Å; I280-F282 VanDerWaalsContact CG2-CZ 3.44Å
281T98.6Very high98.4Very high21 Ų2152.2 Ų52.213%0.12927%0.27CS..EExtended strand (participates in β ladder)trans-113.1122.9175.5-55.50000109.5M234 I235 I236 V327M234-T281 PolarHBondContact O-N 3.46Å; I235-T281 WeakPolarHBondContact CA-O 3.36Å; I236-T281 PolarHBondContact N-O 3.11Å; T281-V327 HydrophobicContact CG2-CG2 4.46Å
282F98.5Very high98.4Very high32 Ų3254.2 Ų54.214%0.1427%0.272CS..  trans-108.2156.6174.1-63.8-73.5000110.4I236 F244 L245 L248 M270 I280I236-F282 HydrophobicContact CB-CD1 3.84Å; I236-F282 HydrophobicContact CB-CE1 3.68Å; I236-F282 HydrophobicContact CD1-CE1 3.81Å; I236-F282 HydrophobicContact CD1-CZ 4.2Å; I236-F282 HydrophobicContact CG1-CE1 4.22Å; I236-F282 HydrophobicContact CG2-CD1 4.2Å; I236-F282 HydrophobicContact CG2-CE1 3.93Å; F244-F282 HydrophobicContact CB-CD1 4.15Å; F244-F282 HydrophobicContact CB-CE1 3.52Å; F244-F282 HydrophobicContact CB-CZ 3.97Å; F244-F282 AromaticContact CD1-CE1 3.56Å; F244-F282 HydrophobicContact CD1-CE1 3.56Å; F244-F282 AromaticContact CD1-CZ 3.47Å; F244-F282 HydrophobicContact CD1-CZ 3.47Å; F244-F282 VanDerWaalsContact CD1-CZ 3.47Å; F244-F282 HydrophobicContact CD2-CE1 4.23Å; F244-F282 HydrophobicContact CE1-CE1 4.32Å; F244-F282 HydrophobicContact CE1-CZ 4.19Å; F244-F282 AromaticContact CG-CE1 3.51Å; F244-F282 HydrophobicContact CG-CE1 3.51Å; F244-F282 AromaticContact CG-CZ 3.9Å; F244-F282 HydrophobicContact CG-CZ 3.9Å; L245-F282 HydrophobicContact CD2-CB 4.16Å; L248-F282 HydrophobicContact CD1-CE2 3.9Å; L248-F282 HydrophobicContact CD1-CZ 4.03Å; M270-F282 HydrophobicContact CE-CE2 4Å; M270-F282 HydrophobicContact CE-CZ 4.4Å; M270-F282 HydrophobicContact SD-CE2 3.98Å; M270-F282 HydrophobicContact SD-CZ 3.78Å; I280-F282 HydrophobicContact CB-CE2 4.34Å; I280-F282 HydrophobicContact CG2-CD1 4.45Å; I280-F282 HydrophobicContact CG2-CD2 4.07Å; I280-F282 HydrophobicContact CG2-CE1 3.94Å; I280-F282 HydrophobicContact CG2-CE2 3.52Å; I280-F282 HydrophobicContact CG2-CZ 3.44Å; I280-F282 VanDerWaalsContact CG2-CZ 3.44Å
283P98.5Very high98.4Very high4 Ų454.4 Ų54.43%0.02628%0.275CS..  trans-61.4144.2167.426.8-35.4000111.4I236 A241 L245 F286 C316 S320I236-P283 WeakPolarHBondContact O-CD 3.15Å; A241-P283 HydrophobicContact CB-CG 3.82Å; L245-P283 HydrophobicContact CD1-CG 4.35Å; P283-F286 HydrophobicContact CB-CD1 4.42Å; P283-F286 HydrophobicContact CB-CE1 3.68Å; P283-F286 HydrophobicContact CB-CZ 4.17Å; P283-F286 HydrophobicContact CG-CE1 3.6Å; P283-F286 HydrophobicContact CG-CZ 4.19Å; P283-C316 HydrophobicContact CB-CB 4.01Å; P283-S320 VanDerWaalsContact CA-OG 3.32Å; P283-S320 WeakPolarHBondContact CA-OG 3.24Å; P283-S320 WeakPolarHBondContact CB-OG 3.3Å
284V98.7Very high98.3Very high62 Ų6259.4 Ų59.438%0.37630%0.298SS..SBendtrans-111.7-16.1-179.5-63.10000112.9T302 V303 E319 S320V284-T302 WeakPolarHBondContact O-CA 3.43Å; V284-V303 PolarHBondContact O-N 2.81Å; V284-E319 HydrophobicContact CG2-CB 3.99Å; V284-S320 PolarHBondContact N-OG 2.88Å
285D98.8Very high98.2Very high17 Ų1758 Ų589%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-144.3157.2177.667.3-21.1000111.2A301 T302 G317 P318 E319 S320D285-A301 CarbonylContact C-O 3.58Å; D285-A301 VanDerWaalsContact CA-O 3.29Å; D285-A301 WeakPolarHBondContact CA-O 3.21Å; D285-T302 HydrophobicContact CB-CG2 4.18Å; D285-G317 VanDerWaalsContact CG-CA 3.42Å; D285-G317 PolarHBondContact O-N 2.93Å; D285-G317 VanDerWaalsContact OD1-C 3.24Å; D285-G317 VanDerWaalsContact OD1-CA 3.3Å; D285-G317 WeakPolarHBondContact OD1-CA 3.47Å; D285-G317 VanDerWaalsContact OD2-C 3.29Å; D285-G317 WeakPolarHBondContact OD2-CA 3.45Å; D285-P318 WeakPolarHBondContact OD2-CD 3.25Å; D285-P318 VanDerWaalsContact OD2-N 3.15Å; D285-E319 PolarHBondContact OD1-N 3.05Å; D285-E319 PolarHBondContact OD2-N 2.84Å; D285-S320 PolarHBondContact N-OG 3.11Å; D285-S320 VanDerWaalsContact N-OG 3.16Å; D285-S320 PolarHBondContact O-OG 2.88Å; D285-S320 VanDerWaalsContact OD1-CB 3.27Å; D285-S320 WeakPolarHBondContact OD1-CB 3.43Å; D285-S320 PolarHBondContact OD1-N 3.29Å; D285-S320 PolarHBondContact OD1-OG 2.85Å
286F98.9Very high98.2Very high4 Ų449.9 Ų49.92%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-140.9145.8-165.8-49.5-80.7000111.4Y242 L245 M251 P283 T288 K300 A301 V303 D315Y242-F286 HydrophobicContact CD1-CE1 4.4Å; Y242-F286 AromaticContact CE1-CD1 3.49Å; Y242-F286 HydrophobicContact CE1-CD1 3.49Å; Y242-F286 VanDerWaalsContact CE1-CD1 3.49Å; Y242-F286 AromaticContact CE1-CE1 3.67Å; Y242-F286 HydrophobicContact CE1-CE1 3.67Å; Y242-F286 HydrophobicContact CE1-CG 4.11Å; Y242-F286 HydrophobicContact CE1-CZ 4.47Å; Y242-F286 AromaticContact CZ-CD1 3.91Å; Y242-F286 WeakPolarHBondContact OH-CD1 3.3Å; L245-F286 HydrophobicContact CD1-CE1 3.86Å; L245-F286 HydrophobicContact CD1-CE2 4.39Å; L245-F286 HydrophobicContact CD1-CZ 3.36Å; M251-F286 HydrophobicContact CE-CD2 3.75Å; M251-F286 HydrophobicContact CE-CE2 3.37Å; M251-F286 HydrophobicContact CE-CZ 4.1Å; M251-F286 HydrophobicContact SD-CE2 3.94Å; M251-F286 HydrophobicContact SD-CZ 4.22Å; P283-F286 HydrophobicContact CB-CD1 4.42Å; P283-F286 HydrophobicContact CB-CE1 3.68Å; P283-F286 HydrophobicContact CB-CZ 4.17Å; P283-F286 HydrophobicContact CG-CE1 3.6Å; P283-F286 HydrophobicContact CG-CZ 4.19Å; F286-T288 HydrophobicContact CB-CG2 4.42Å; F286-K300 WeakPolarHBondContact O-CA 3.43Å; F286-A301 HydrophobicContact CB-CB 4.47Å; F286-A301 HydrophobicContact CD2-CB 4.39Å; F286-A301 PolarHBondContact N-O 3.47Å; F286-A301 PolarHBondContact O-N 2.84Å; F286-V303 HydrophobicContact CE2-CG2 3.84Å; F286-V303 HydrophobicContact CZ-CG2 3.98Å; F286-D315 WeakPolarHBondContact CA-O 3.38Å
287V98.8Very high98.2Very high26 Ų2653.1 Ų53.116%0.15828%0.276CS..EExtended strand (participates in β ladder)trans-90.6122.6162.6-175.20000107.4V298 L314 D315 F348V287-V298 HydrophobicContact CG1-CG1 3.5Å; V287-V298 VanDerWaalsContact CG1-CG1 3.5Å; V287-L314 PolarHBondContact O-N 3.22Å; V287-D315 HydrophobicContact CB-CB 4.08Å; V287-D315 HydrophobicContact CG2-CB 4.27Å; V287-D315 PolarHBondContact N-O 2.88Å; V287-F348 HydrophobicContact CG1-CD1 3.92Å; V287-F348 HydrophobicContact CG1-CE1 4.09Å
288T98.8Very high98.2Very high2 Ų254 Ų541%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-108.6157.8-175.361.20000111.9F286 V298 G299 K300 A301 I307 W311 M312F286-T288 HydrophobicContact CB-CG2 4.42Å; T288-V298 CarbonylContact O-C 3.44Å; T288-V298 WeakPolarHBondContact O-CA 3.24Å; T288-G299 PolarHBondContact N-O 3.49Å; T288-G299 PolarHBondContact O-N 3.34Å; T288-G299 VanDerWaalsContact OG1-CA 3.29Å; T288-G299 WeakPolarHBondContact OG1-CA 3.4Å; T288-K300 PolarHBondContact OG1-N 3.25Å; T288-A301 HydrophobicContact CG2-CB 3.76Å; T288-I307 HydrophobicContact CG2-CD1 4.3Å; T288-I307 HydrophobicContact CG2-CG1 3.95Å; T288-I307 HydrophobicContact CG2-CG2 4.06Å; T288-W311 VanDerWaalsContact OG1-CE3 3.31Å; T288-M312 CarbonylContact C-O 3.51Å; T288-M312 WeakPolarHBondContact CA-O 3.32Å
289A98.7Very high98.2Very high0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-132.3145.6176.800000110.7K291 A296 Q297 W311 M312 L314 F348A289-K291 VanDerWaalsContact C-N 3.28Å; A289-K291 WeakPolarHBondContact CB-O 3.4Å; A289-A296 HydrophobicContact CB-CB 3.81Å; A289-Q297 WeakPolarHBondContact CA-O 3.33Å; A289-W311 CarbonylContact O-C 3.55Å; A289-W311 VanDerWaalsContact O-CA 3.25Å; A289-W311 WeakPolarHBondContact O-CA 3.2Å; A289-M312 HydrophobicContact CB-CG 4.34Å; A289-M312 PolarHBondContact N-O 2.94Å; A289-M312 PolarHBondContact O-N 3.29Å; A289-L314 HydrophobicContact CB-CD1 3.49Å; A289-L314 VanDerWaalsContact CB-CD1 3.49Å; A289-L314 HydrophobicContact CB-CG 4.05Å; A289-F348 HydrophobicContact CB-CE1 3.91Å; A289-F348 HydrophobicContact CB-CZ 3.68Å
290D98.4Very high98.2Very high55 Ų5558 Ų5829%0.29430%0.295SS..SBendtrans-74.6-18.1174.670.2-35000113.1A296 Q297 W311D290-A296 WeakPolarHBondContact OD1-CA 3.36Å; D290-A296 WeakPolarHBondContact OD1-CB 3.45Å; D290-Q297 HydrophobicContact CB-CB 4.33Å; D290-Q297 PolarHBondContact N-O 3.24Å; D290-Q297 PolarHBondContact OD1-N 2.82Å; D290-W311 HydrophobicContact CB-CD2 4.22Å; D290-W311 HydrophobicContact CB-CH2 4.32Å; D290-W311 HydrophobicContact CB-CZ2 4Å
291K97.9Very high98.2Very high102 Ų10257.1 Ų57.144%0.44329%0.291SS..SBendtrans-155.4164.4176.260.4-175.8166.21750111.2A289 D293 A296A289-K291 VanDerWaalsContact C-N 3.28Å; A289-K291 WeakPolarHBondContact CB-O 3.4Å; K291-D293 VanDerWaalsContact C-N 3.31Å; K291-D293 HydrophobicContact CD-CB 3.99Å; K291-D293 HydrophobicContact CG-CB 3.85Å; K291-D293 PolarHBondContact O-N 3.46Å; K291-A296 HydrophobicContact CG-CB 3.81Å; K291-A296 VanDerWaalsContact O-CB 3.27Å; K291-A296 WeakPolarHBondContact O-CB 3.37Å
292F97.6Very high98.2Very high131 Ų13159 Ų5958%0.57530%0.302SS*.SBendtrans-82.975.2174.7-168-107000110.8M312 L314 V342 W345F292-M312 HydrophobicContact CB-SD 3.74Å; F292-M312 HydrophobicContact CD2-SD 4.22Å; F292-M312 HydrophobicContact CG-SD 4.48Å; F292-L314 HydrophobicContact CD2-CD1 4.25Å; F292-L314 HydrophobicContact CD2-CD2 3.89Å; F292-L314 HydrophobicContact CE2-CD2 4.13Å; F292-V342 HydrophobicContact CE2-CG1 4.49Å; F292-V342 HydrophobicContact CE2-CG2 3.95Å; F292-W345 AromaticContact CD1-CH2 3.67Å; F292-W345 HydrophobicContact CD1-CH2 3.67Å; F292-W345 HydrophobicContact CD1-CZ3 4.37Å; F292-W345 HydrophobicContact CD2-CH2 4.02Å; F292-W345 AromaticContact CD2-CZ3 3.89Å; F292-W345 HydrophobicContact CD2-CZ3 3.89Å; F292-W345 AromaticContact CE1-CH2 3.57Å; F292-W345 HydrophobicContact CE1-CH2 3.57Å; F292-W345 HydrophobicContact CE1-CZ2 4.28Å; F292-W345 HydrophobicContact CE1-CZ3 4.33Å; F292-W345 AromaticContact CE2-CH2 3.94Å; F292-W345 HydrophobicContact CE2-CH2 3.94Å; F292-W345 AromaticContact CE2-CZ3 3.86Å; F292-W345 HydrophobicContact CE2-CZ3 3.86Å; F292-W345 AromaticContact CG-CH2 3.89Å; F292-W345 HydrophobicContact CG-CH2 3.89Å; F292-W345 HydrophobicContact CG-CZ3 4.15Å; F292-W345 AromaticContact CZ-CH2 3.71Å; F292-W345 HydrophobicContact CZ-CH2 3.71Å; F292-W345 HydrophobicContact CZ-CZ2 4.49Å; F292-W345 HydrophobicContact CZ-CZ3 4.08Å
293D97.4Very high98.2Very high61 Ų6159.1 Ų59.133%0.32631%0.306SS..SBendtrans-145147.7-178.4-168.5-90.3000110.4K291 N295 A296K291-D293 VanDerWaalsContact C-N 3.31Å; K291-D293 HydrophobicContact CD-CB 3.99Å; K291-D293 HydrophobicContact CG-CB 3.85Å; K291-D293 PolarHBondContact O-N 3.46Å; D293-N295 PolarHBondContact O-N 2.81Å; D293-N295 WeakPolarHBondContact OD1-CA 3.35Å; D293-N295 WeakPolarHBondContact OD1-CB 3.45Å; D293-N295 PolarHBondContact OD1-N 3.49Å; D293-N295 PolarHBondContact OD1-ND2 3.45Å; D293-A296 HydrophobicContact CB-CB 4.42Å; D293-A296 VanDerWaalsContact O-CB 3.27Å; D293-A296 WeakPolarHBondContact O-CB 3.29Å; D293-A296 PolarHBondContact O-N 2.96Å; D293-A296 VanDerWaalsContact O-N 3.17Å
294E96.3Very high98.1Very high106 Ų10663.8 Ų63.850%0.49534%0.344SS..THydrogen-bonded Turntrans-58.1-31.1176.7-175.2169.2-148.100112.6W345E294-W345 HydrophobicContact CB-CD2 4.01Å; E294-W345 HydrophobicContact CB-CG 3.83Å; E294-W345 HydrophobicContact CG-CB 4.11Å; E294-W345 HydrophobicContact CG-CG 3.85Å
295N96.4Very high98.1Very high133 Ų13364.4 Ų64.471%0.71135%0.352SS*.THydrogen-bonded Turntrans-105.623.2-177.8-51.3-75.2000112.6D293D293-N295 PolarHBondContact O-N 2.81Å; D293-N295 WeakPolarHBondContact OD1-CA 3.35Å; D293-N295 WeakPolarHBondContact OD1-CB 3.45Å; D293-N295 PolarHBondContact OD1-N 3.49Å; D293-N295 PolarHBondContact OD1-ND2 3.45Å
296A97.8Very high98.1Very high10 Ų1063.9 Ų63.98%0.08335%0.35CS..PPolyproline II helixtrans-6115417600000112.3A289 D290 K291 D293 V298 F348A289-A296 HydrophobicContact CB-CB 3.81Å; D290-A296 WeakPolarHBondContact OD1-CA 3.36Å; D290-A296 WeakPolarHBondContact OD1-CB 3.45Å; K291-A296 HydrophobicContact CG-CB 3.81Å; K291-A296 VanDerWaalsContact O-CB 3.27Å; K291-A296 WeakPolarHBondContact O-CB 3.37Å; D293-A296 HydrophobicContact CB-CB 4.42Å; D293-A296 VanDerWaalsContact O-CB 3.27Å; D293-A296 WeakPolarHBondContact O-CB 3.29Å; D293-A296 PolarHBondContact O-N 2.96Å; D293-A296 VanDerWaalsContact O-N 3.17Å; A296-V298 PolarHBondContact O-N 3Å; A296-F348 HydrophobicContact CB-CZ 4.32Å
297Q98.1Very high98.1Very high133 Ų13363.8 Ų63.862%0.62135%0.35SS*.PPolyproline II helixtrans-67.8127.3168.7-64.8-168.5-5.300109.2A289 D290 W311A289-Q297 WeakPolarHBondContact CA-O 3.33Å; D290-Q297 HydrophobicContact CB-CB 4.33Å; D290-Q297 PolarHBondContact N-O 3.24Å; D290-Q297 PolarHBondContact OD1-N 2.82Å; Q297-W311 HydrophobicContact CB-CH2 4.25Å; Q297-W311 WeakPolarHBondContact O-CZ3 3.44Å
298V98.4Very high98Very high82 Ų8265.2 Ų65.250%0.49736%0.36SS..EExtended strand (participates in β ladder)trans-95.2134.9-175.8-178.70000110.8V287 T288 A296 A347 F348V287-V298 HydrophobicContact CG1-CG1 3.5Å; V287-V298 VanDerWaalsContact CG1-CG1 3.5Å; T288-V298 CarbonylContact O-C 3.44Å; T288-V298 WeakPolarHBondContact O-CA 3.24Å; A296-V298 PolarHBondContact O-N 3Å; V298-A347 HydrophobicContact CG2-CB 4.08Å; V298-F348 HydrophobicContact CG2-CE1 4.04Å; V298-F348 HydrophobicContact CG2-CZ 3.99Å
299G98.3Very high98Very high23 Ų2370.6 Ų70.624%0.23739%0.394CS..EExtended strand (participates in β ladder)trans-131.7-170.2177.200000111.6T288T288-G299 PolarHBondContact N-O 3.49Å; T288-G299 PolarHBondContact O-N 3.34Å; T288-G299 VanDerWaalsContact OG1-CA 3.29Å; T288-G299 WeakPolarHBondContact OG1-CA 3.4Å
300K98.4Very high97.9Very high189 Ų18972.9 Ų72.982%0.82242%0.419SS*.EExtended strand (participates in β ladder)trans-141.6147.917864.2-176.5-178.7-179.50110.7F286 T288F286-K300 WeakPolarHBondContact O-CA 3.43Å; T288-K300 PolarHBondContact OG1-N 3.25Å
301A98.6Very high97.9Very high6 Ų673.5 Ų73.55%0.0542%0.417CS..EExtended strand (participates in β ladder)trans-143.2161.4174.900000110.6D285 F286 T288 G306 I307D285-A301 CarbonylContact C-O 3.58Å; D285-A301 VanDerWaalsContact CA-O 3.29Å; D285-A301 WeakPolarHBondContact CA-O 3.21Å; F286-A301 HydrophobicContact CB-CB 4.47Å; F286-A301 HydrophobicContact CD2-CB 4.39Å; F286-A301 PolarHBondContact N-O 3.47Å; F286-A301 PolarHBondContact O-N 2.84Å; T288-A301 HydrophobicContact CG2-CB 3.76Å; A301-G306 VanDerWaalsContact CB-O 3.29Å; A301-G306 WeakPolarHBondContact CB-O 3.47Å; A301-I307 HydrophobicContact CB-CG1 3.73Å
302T98.8Very high98Very high60 Ų6070 Ų7037%0.36840%0.403SS..EExtended strand (participates in β ladder)trans-121167.2166.768.70000109.5V284 D285 A304 S305 G306V284-T302 WeakPolarHBondContact O-CA 3.43Å; D285-T302 HydrophobicContact CB-CG2 4.18Å; T302-A304 PolarHBondContact O-N 3.08Å; T302-A304 PolarHBondContact OG1-N 2.76Å; T302-S305 PolarHBondContact N-OG 2.66Å; T302-S305 PolarHBondContact O-N 2.89Å; T302-S305 PolarHBondContact O-OG 2.93Å; T302-S305 PolarHBondContact OG1-N 2.82Å; T302-G306 PolarHBondContact O-N 3.29Å
303V98Very high98Very high36 Ų3664 Ų6422%0.21838%0.378CS..THydrogen-bonded Turntrans-55.7-381721750000110.9L245 N249 M251 V284 F286L245-V303 HydrophobicContact CD1-CG2 4.32Å; L245-V303 HydrophobicContact CD2-CG2 3.99Å; N249-V303 HydrophobicContact CB-CG1 4.12Å; M251-V303 HydrophobicContact CB-CG1 4.48Å; M251-V303 HydrophobicContact CG-CG1 4.42Å; M251-V303 HydrophobicContact SD-CB 4.24Å; M251-V303 HydrophobicContact SD-CG1 4.25Å; M251-V303 HydrophobicContact SD-CG2 4.02Å; V284-V303 PolarHBondContact O-N 2.81Å; F286-V303 HydrophobicContact CE2-CG2 3.84Å; F286-V303 HydrophobicContact CZ-CG2 3.98Å
304A97.7Very high98.1Very high101 Ų10161.9 Ų61.984%0.83537%0.366SS*.THydrogen-bonded Turntrans-74.4-36.4-179.800000113.4T302 G306T302-A304 PolarHBondContact O-N 3.08Å; T302-A304 PolarHBondContact OG1-N 2.76Å; A304-G306 VanDerWaalsContact C-N 3.33Å
305S97.9Very high98.2Very high76 Ų7656.9 Ų56.953%0.53134%0.343SS..THydrogen-bonded Turntrans-76.3-24.217873.90000113T302T302-S305 PolarHBondContact N-OG 2.66Å; T302-S305 PolarHBondContact O-N 2.89Å; T302-S305 PolarHBondContact O-OG 2.93Å; T302-S305 PolarHBondContact OG1-N 2.82Å
306G98.1Very high98.3Very high6 Ų650.9 Ų50.96%0.06231%0.311CS..  trans68.7169.5-165.200000112.5E252 A301 T302 A304E252-G306 CarbonylContact O-C 3.6Å; E252-G306 WeakPolarHBondContact O-CA 3.31Å; A301-G306 VanDerWaalsContact CB-O 3.29Å; A301-G306 WeakPolarHBondContact CB-O 3.47Å; T302-G306 PolarHBondContact O-N 3.29Å; A304-G306 VanDerWaalsContact C-N 3.33Å
307I98.7Very high98.3Very high1 Ų150.5 Ų50.51%0.00531%0.308CS..BIsolated β-bridgetrans-97128.7171.2-64.7171.9000108Y242 M251 E252 G254 S256 T288 A301 W311Y242-I307 HydrophobicContact CD1-CD1 4.12Å; Y242-I307 HydrophobicContact CE1-CD1 3.69Å; M251-I307 HydrophobicContact CE-CD1 4.14Å; M251-I307 HydrophobicContact CE-CG1 3.94Å; E252-I307 PolarHBondContact O-N 2.82Å; G254-I307 PolarHBondContact N-O 2.86Å; S256-I307 WeakPolarHBondContact OG-CD1 3.18Å; T288-I307 HydrophobicContact CG2-CD1 4.3Å; T288-I307 HydrophobicContact CG2-CG1 3.95Å; T288-I307 HydrophobicContact CG2-CG2 4.06Å; A301-I307 HydrophobicContact CB-CG1 3.73Å; I307-W311 HydrophobicContact CG2-CB 3.93Å; I307-W311 WeakPolarHBondContact CG2-O 3.33Å
308P98.1Very high98.3Very high57 Ų5748.4 Ų48.437%0.3731%0.306SS..PPolyproline II helixtrans-57152.1-177.8-25.933.9000113.9G254 G310 W311G254-P308 WeakPolarHBondContact CA-O 3.15Å; P308-G310 PolarHBondContact O-N 3.47Å; P308-W311 HydrophobicContact CB-CB 4.3Å; P308-W311 HydrophobicContact CB-CG 4.19Å; P308-W311 HydrophobicContact CG-CG 4.5Å; P308-W311 WeakPolarHBondContact O-CB 3.11Å; P308-W311 PolarHBondContact O-N 3.39Å; P308-W311 VanDerWaalsContact O-N 3.09Å
309P98.1Very high98.3Very high114 Ų11448.4 Ų48.474%0.7430%0.301SS*.THydrogen-bonded Turntrans-52.9135.8171.3-26.234.9000112.3W311P309-W311 PolarHBondContact O-N 3.31Å
310G97.5Very high98.4Very high49 Ų4947.3 Ų47.351%0.50529%0.289SS..THydrogen-bonded Turntrans80.8-22.4-177.300000115P308P308-G310 PolarHBondContact O-N 3.47Å
311W98.7Very high98.4Very high67 Ų6739.9 Ų39.925%0.25426%0.259SS..  trans-84.9156.4175.2-72.262.1000111.5G254 A255 T288 A289 D290 Q297 I307 P308 P309G254-W311 CarbonylContact C-O 3.6Å; G254-W311 WeakPolarHBondContact CA-O 3.14Å; A255-W311 PolarHBondContact N-O 2.74Å; T288-W311 VanDerWaalsContact OG1-CE3 3.31Å; A289-W311 CarbonylContact O-C 3.55Å; A289-W311 VanDerWaalsContact O-CA 3.25Å; A289-W311 WeakPolarHBondContact O-CA 3.2Å; D290-W311 HydrophobicContact CB-CD2 4.22Å; D290-W311 HydrophobicContact CB-CH2 4.32Å; D290-W311 HydrophobicContact CB-CZ2 4Å; Q297-W311 HydrophobicContact CB-CH2 4.25Å; Q297-W311 WeakPolarHBondContact O-CZ3 3.44Å; I307-W311 HydrophobicContact CG2-CB 3.93Å; I307-W311 WeakPolarHBondContact CG2-O 3.33Å; P308-W311 HydrophobicContact CB-CB 4.3Å; P308-W311 HydrophobicContact CB-CG 4.19Å; P308-W311 HydrophobicContact CG-CG 4.5Å; P308-W311 WeakPolarHBondContact O-CB 3.11Å; P308-W311 PolarHBondContact O-N 3.39Å; P308-W311 VanDerWaalsContact O-N 3.09Å; P309-W311 PolarHBondContact O-N 3.31Å
312M98.8Very high98.4Very high30 Ų3045 Ų4515%0.14828%0.279CS..EExtended strand (participates in β ladder)trans-133.9144178.158.3-164.469.700111.5A255 S256 T288 A289 F292 L314A255-M312 HydrophobicContact CB-CE 4.04Å; S256-M312 WeakPolarHBondContact OG-CA 3.3Å; T288-M312 CarbonylContact C-O 3.51Å; T288-M312 WeakPolarHBondContact CA-O 3.32Å; A289-M312 HydrophobicContact CB-CG 4.34Å; A289-M312 PolarHBondContact N-O 2.94Å; A289-M312 PolarHBondContact O-N 3.29Å; F292-M312 HydrophobicContact CB-SD 3.74Å; F292-M312 HydrophobicContact CD2-SD 4.22Å; F292-M312 HydrophobicContact CG-SD 4.48Å; M312-L314 HydrophobicContact CB-CD2 4.47Å; M312-L314 HydrophobicContact CG-CD1 4.39Å; M312-L314 HydrophobicContact CG-CD2 3.81Å; M312-L314 HydrophobicContact CG-CG 4.02Å; M312-L314 HydrophobicContact SD-CD2 4.12Å
313G98.6Very high98.4Very high5 Ų544.3 Ų44.35%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-83.9125.6174.200000110.5Y242 S256Y242-G313 WeakPolarHBondContact CE2-O 3.36Å; Y242-G313 VanDerWaalsContact CZ-O 3.28Å; Y242-G313 WeakPolarHBondContact OH-CA 3.38Å; Y242-G313 PolarHBondContact OH-O 3.02Å; S256-G313 PolarHBondContact OG-N 3.02Å
314L98.6Very high98.4Very high16 Ų1642.7 Ų42.78%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-119.2-9.2-174.5-61.9-172.6000113.9V287 A289 F292 M312 G341 V342 W345 F348V287-L314 PolarHBondContact O-N 3.22Å; A289-L314 HydrophobicContact CB-CD1 3.49Å; A289-L314 VanDerWaalsContact CB-CD1 3.49Å; A289-L314 HydrophobicContact CB-CG 4.05Å; F292-L314 HydrophobicContact CD2-CD1 4.25Å; F292-L314 HydrophobicContact CD2-CD2 3.89Å; F292-L314 HydrophobicContact CE2-CD2 4.13Å; M312-L314 HydrophobicContact CB-CD2 4.47Å; M312-L314 HydrophobicContact CG-CD1 4.39Å; M312-L314 HydrophobicContact CG-CD2 3.81Å; M312-L314 HydrophobicContact CG-CG 4.02Å; M312-L314 HydrophobicContact SD-CD2 4.12Å; L314-G341 CarbonylContact O-C 3.51Å; L314-G341 WeakPolarHBondContact O-CA 3.5Å; L314-V342 HydrophobicContact CB-CG2 4.05Å; L314-V342 HydrophobicContact CD2-CG2 4.03Å; L314-V342 HydrophobicContact CG-CG2 4.45Å; L314-V342 PolarHBondContact O-N 3.24Å; L314-W345 HydrophobicContact CD1-CZ3 4.25Å; L314-F348 HydrophobicContact CB-CB 4.05Å; L314-F348 HydrophobicContact CB-CD1 3.59Å; L314-F348 HydrophobicContact CB-CD2 4.42Å; L314-F348 HydrophobicContact CB-CE1 4.13Å; L314-F348 HydrophobicContact CB-CG 3.75Å; L314-F348 HydrophobicContact CD1-CD1 4.25Å; L314-F348 HydrophobicContact CD1-CD2 4.08Å; L314-F348 HydrophobicContact CD1-CE1 4.11Å; L314-F348 HydrophobicContact CD1-CE2 3.93Å; L314-F348 HydrophobicContact CD1-CG 4.22Å; L314-F348 HydrophobicContact CD1-CZ 3.95Å; L314-F348 HydrophobicContact CG-CD1 4.47Å
315D98.7Very high98.4Very high1 Ų139 Ų391%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-156.1163.6173.4-162.711.6000110.2F286 V287 F348 K350 G351F286-D315 WeakPolarHBondContact CA-O 3.38Å; V287-D315 HydrophobicContact CB-CB 4.08Å; V287-D315 HydrophobicContact CG2-CB 4.27Å; V287-D315 PolarHBondContact N-O 2.88Å; D315-F348 HydrophobicContact CB-CB 4.18Å; D315-F348 WeakPolarHBondContact CB-O 3.13Å; D315-F348 VanDerWaalsContact OD2-C 3.29Å; D315-K350 PolarHBondContact OD2-N 3.1Å; D315-G351 WeakPolarHBondContact OD1-CA 3.29Å; D315-G351 PolarHBondContact OD1-N 3.29Å; D315-G351 PolarHBondContact OD2-N 3.39Å
316C98.3Very high98.4Very high6 Ų641.1 Ų41.14%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-82147.6173.362.60000112P283 N321P283-C316 HydrophobicContact CB-CB 4.01Å; C316-N321 PolarHBondContact SG-OD1 3.27Å
317G98.4Very high98.4Very high2 Ų241.2 Ų41.22%0.02123%0.234CC..  trans-80.3177-177.900000114.1D285 E319 S320 N321D285-G317 VanDerWaalsContact CG-CA 3.42Å; D285-G317 PolarHBondContact O-N 2.93Å; D285-G317 VanDerWaalsContact OD1-C 3.24Å; D285-G317 VanDerWaalsContact OD1-CA 3.3Å; D285-G317 WeakPolarHBondContact OD1-CA 3.47Å; D285-G317 VanDerWaalsContact OD2-C 3.29Å; D285-G317 WeakPolarHBondContact OD2-CA 3.45Å; G317-E319 VanDerWaalsContact C-N 3.35Å; G317-E319 PolarHBondContact O-N 2.72Å; G317-S320 PolarHBondContact O-N 2.79Å; G317-N321 VanDerWaalsContact O-CG 3.26Å; G317-N321 PolarHBondContact O-N 3.29Å; G317-N321 PolarHBondContact O-ND2 3.37Å
318P98.4Very high98.4Very high89 Ų8941.2 Ų41.258%0.57823%0.234SC*.Hα-helixtrans-62.5-32.2-17624.6-35.1000114.6D285 N321 K322D285-P318 WeakPolarHBondContact OD2-CD 3.25Å; D285-P318 VanDerWaalsContact OD2-N 3.15Å; P318-N321 PolarHBondContact O-N 3.11Å; P318-K322 WeakPolarHBondContact O-CG 3.48Å; P318-K322 PolarHBondContact O-N 3.02Å
319E98.6Very high98.4Very high83 Ų8341.9 Ų41.939%0.38824%0.244SC..Hα-helixtrans-73.3-39.1176.3-82.9-49.7146.500112.4V284 D285 G317 N321 K322 N323V284-E319 HydrophobicContact CG2-CB 3.99Å; D285-E319 PolarHBondContact OD1-N 3.05Å; D285-E319 PolarHBondContact OD2-N 2.84Å; G317-E319 VanDerWaalsContact C-N 3.35Å; G317-E319 PolarHBondContact O-N 2.72Å; E319-N321 PolarHBondContact O-N 3Å; E319-K322 PolarHBondContact O-N 3.11Å; E319-K322 VanDerWaalsContact O-N 3.16Å; E319-K322 WeakPolarHBondContact OE1-CD 3.46Å; E319-K322 IonicContact OE1-NZ 3.83Å; E319-K322 PolarHBondContact OE1-NZ 3.09Å; E319-K322 VanDerWaalsContact OE2-CD 3.3Å; E319-K322 WeakPolarHBondContact OE2-CD 3.47Å; E319-K322 IonicContact OE2-NZ 3.52Å; E319-N323 PolarHBondContact O-N 3.06Å; E319-N323 PolarHBondContact O-ND2 2.95Å
320S98.8Very high98.4Very high0 Ų041.1 Ų41.10%023%0.231CC..Hα-helixtrans-57.7-41.9171.7-56.20000110.9P283 V284 D285 G317 K322 N323 H324P283-S320 VanDerWaalsContact CA-OG 3.32Å; P283-S320 WeakPolarHBondContact CA-OG 3.24Å; P283-S320 WeakPolarHBondContact CB-OG 3.3Å; V284-S320 PolarHBondContact N-OG 2.88Å; D285-S320 PolarHBondContact N-OG 3.11Å; D285-S320 VanDerWaalsContact N-OG 3.16Å; D285-S320 PolarHBondContact O-OG 2.88Å; D285-S320 VanDerWaalsContact OD1-CB 3.27Å; D285-S320 WeakPolarHBondContact OD1-CB 3.43Å; D285-S320 PolarHBondContact OD1-N 3.29Å; D285-S320 PolarHBondContact OD1-OG 2.85Å; G317-S320 PolarHBondContact O-N 2.79Å; S320-K322 PolarHBondContact O-N 2.88Å; S320-N323 PolarHBondContact O-N 3.21Å; S320-H324 WeakPolarHBondContact O-CB 3.47Å; S320-H324 PolarHBondContact O-CD2 3Å; S320-H324 PolarHBondContact O-N 3.01Å; S320-H324 PolarHBondContact O-ND1 2.89Å
321N98.6Very high98.5Very high33 Ų3339.3 Ų39.318%0.17621%0.211CC..Hα-helixtrans-62-40.9176.7-66.2-23.4000112.5C316 G317 P318 E319 H324 A325 G351 A354C316-N321 PolarHBondContact SG-OD1 3.27Å; G317-N321 VanDerWaalsContact O-CG 3.26Å; G317-N321 PolarHBondContact O-N 3.29Å; G317-N321 PolarHBondContact O-ND2 3.37Å; P318-N321 PolarHBondContact O-N 3.11Å; E319-N321 PolarHBondContact O-N 3Å; N321-H324 PolarHBondContact O-N 2.71Å; N321-A325 WeakPolarHBondContact O-CB 3.47Å; N321-A325 PolarHBondContact O-N 2.98Å; N321-G351 VanDerWaalsContact OD1-CA 3.32Å; N321-G351 WeakPolarHBondContact OD1-CA 3.39Å; N321-A354 HydrophobicContact CB-CB 4.47Å
322K98.6Very high98.4Very high112 Ų11243.7 Ų43.749%0.48723%0.227SC..Hα-helixtrans-64-43.4174.8-70.9170-175.7175.40111.6P318 E319 S320 A325 Q326P318-K322 WeakPolarHBondContact O-CG 3.48Å; P318-K322 PolarHBondContact O-N 3.02Å; E319-K322 PolarHBondContact O-N 3.11Å; E319-K322 VanDerWaalsContact O-N 3.16Å; E319-K322 WeakPolarHBondContact OE1-CD 3.46Å; E319-K322 IonicContact OE1-NZ 3.83Å; E319-K322 PolarHBondContact OE1-NZ 3.09Å; E319-K322 VanDerWaalsContact OE2-CD 3.3Å; E319-K322 WeakPolarHBondContact OE2-CD 3.47Å; E319-K322 IonicContact OE2-NZ 3.52Å; S320-K322 PolarHBondContact O-N 2.88Å; K322-A325 WeakPolarHBondContact O-CB 3.36Å; K322-A325 PolarHBondContact O-N 2.76Å; K322-Q326 WeakPolarHBondContact O-CG 3.32Å; K322-Q326 PolarHBondContact O-N 2.96Å; K322-Q326 VanDerWaalsContact O-N 3.12Å
323N98.5Very high98.4Very high47 Ų4742.3 Ų42.325%0.25122%0.221SC..Hα-helixtrans-63-44.9177.3-67.5-21.2000111.4E319 S320 A325 Q326 V327E319-N323 PolarHBondContact O-N 3.06Å; E319-N323 PolarHBondContact O-ND2 2.95Å; S320-N323 PolarHBondContact O-N 3.21Å; N323-A325 VanDerWaalsContact C-N 3.34Å; N323-A325 PolarHBondContact O-N 3.39Å; N323-Q326 PolarHBondContact O-N 3.16Å; N323-V327 WeakPolarHBondContact O-CG2 3.5Å; N323-V327 PolarHBondContact O-N 3.25Å
324H98.5Very high98.4Very high2 Ų242 Ų421%0.00922%0.218CC..Hα-helixtrans-60-43.1175-62.8156.7000111.8I235 S320 N321 Q326 V327 V328 L355I235-H324 HydrophobicContact CD1-CB 4.1Å; S320-H324 WeakPolarHBondContact O-CB 3.47Å; S320-H324 PolarHBondContact O-CD2 3Å; S320-H324 PolarHBondContact O-N 3.01Å; S320-H324 PolarHBondContact O-ND1 2.89Å; N321-H324 PolarHBondContact O-N 2.71Å; H324-Q326 VanDerWaalsContact C-N 3.32Å; H324-Q326 PolarHBondContact O-N 3.18Å; H324-V327 PolarHBondContact O-N 2.69Å; H324-V328 WeakPolarHBondContact O-CB 3.4Å; H324-V328 WeakPolarHBondContact O-CG2 3.33Å; H324-V328 PolarHBondContact O-N 3.29Å; H324-L355 HydrophobicContact CB-CD1 4.04Å
325A98.6Very high98.4Very high22 Ų2241.4 Ų41.418%0.18222%0.215CC..Hα-helixtrans-59.4-41.3177.900000112.4N321 K322 N323 V328 A329 E358N321-A325 WeakPolarHBondContact O-CB 3.47Å; N321-A325 PolarHBondContact O-N 2.98Å; K322-A325 WeakPolarHBondContact O-CB 3.36Å; K322-A325 PolarHBondContact O-N 2.76Å; N323-A325 VanDerWaalsContact C-N 3.34Å; N323-A325 PolarHBondContact O-N 3.39Å; A325-V328 PolarHBondContact O-N 3.12Å; A325-A329 WeakPolarHBondContact O-CB 3.43Å; A325-A329 PolarHBondContact O-N 3.47Å; A325-E358 HydrophobicContact CB-CG 3.71Å
326Q98.1Very high98.4Very high121 Ų12141.3 Ų41.357%0.56521%0.214SC*.Hα-helixtrans-63.1-43.8176.8-69.5176.44.700112.1K322 N323 H324 A329 Q330K322-Q326 WeakPolarHBondContact O-CG 3.32Å; K322-Q326 PolarHBondContact O-N 2.96Å; K322-Q326 VanDerWaalsContact O-N 3.12Å; N323-Q326 PolarHBondContact O-N 3.16Å; H324-Q326 VanDerWaalsContact C-N 3.32Å; H324-Q326 PolarHBondContact O-N 3.18Å; Q326-A329 PolarHBondContact O-N 3.43Å; Q326-Q330 WeakPolarHBondContact O-CG 3.48Å
327V98.1Very high98.2Very high9 Ų941.1 Ų41.16%0.05521%0.213CC..Hα-helixtrans-65.6-44.6178.21720000111L209 E233 I235 T281 N323 H324 A329 Q330L209-V327 HydrophobicContact CD1-CG1 3.62Å; L209-V327 HydrophobicContact CD2-CG1 3.86Å; L209-V327 HydrophobicContact CG-CG1 4.36Å; E233-V327 HydrophobicContact CB-CG1 4.47Å; E233-V327 WeakPolarHBondContact OE2-CG1 3.46Å; I235-V327 HydrophobicContact CD1-CB 4.22Å; I235-V327 HydrophobicContact CD1-CG1 3.97Å; I235-V327 HydrophobicContact CG1-CG1 4.15Å; T281-V327 HydrophobicContact CG2-CG2 4.46Å; N323-V327 WeakPolarHBondContact O-CG2 3.5Å; N323-V327 PolarHBondContact O-N 3.25Å; H324-V327 PolarHBondContact O-N 2.69Å; V327-A329 VanDerWaalsContact C-N 3.34Å; V327-A329 PolarHBondContact O-N 3.44Å; V327-Q330 PolarHBondContact O-N 3.32Å
328V98.7Very high98Very high1 Ų141.3 Ų41.31%0.00622%0.215CC..Hα-helixtrans-61.1-41.4176.6167.10000111.6L209 I211 H324 A325 Q330 A331 I334 L355 E358 I359 A362L209-V328 HydrophobicContact CD2-CG2 3.95Å; I211-V328 HydrophobicContact CD1-CG2 4.22Å; H324-V328 WeakPolarHBondContact O-CB 3.4Å; H324-V328 WeakPolarHBondContact O-CG2 3.33Å; H324-V328 PolarHBondContact O-N 3.29Å; A325-V328 PolarHBondContact O-N 3.12Å; V328-Q330 PolarHBondContact O-N 2.87Å; V328-A331 PolarHBondContact O-N 3.44Å; V328-A331 VanDerWaalsContact O-N 3.16Å; V328-I334 HydrophobicContact CG1-CD1 3.86Å; V328-L355 HydrophobicContact CG2-CD1 3.8Å; V328-E358 HydrophobicContact CB-CB 4.44Å; V328-E358 HydrophobicContact CG1-CB 3.98Å; V328-E358 WeakPolarHBondContact CG1-O 3.42Å; V328-I359 HydrophobicContact CG1-CG1 4.22Å; V328-I359 HydrophobicContact CG2-CG1 4.37Å; V328-A362 HydrophobicContact CG1-CB 3.97Å
329A98.1Very high97.9Very high71 Ų7137.6 Ų37.659%0.58719%0.191SC*.Hα-helixtrans-64.2-20.9-179.200000114A325 Q326 V327A325-A329 WeakPolarHBondContact O-CB 3.43Å; A325-A329 PolarHBondContact O-N 3.47Å; Q326-A329 PolarHBondContact O-N 3.43Å; V327-A329 VanDerWaalsContact C-N 3.34Å; V327-A329 PolarHBondContact O-N 3.44Å
330Q97.7Very high97.8Very high98 Ų9833.8 Ų33.846%0.45817%0.173SC..Hα-helixtrans-90.2-18.2179.1-66.6170.81800112.8P207 Q326 V327 V328P207-Q330 WeakPolarHBondContact CD-O 3.35Å; P207-Q330 WeakPolarHBondContact CG-O 3.08Å; Q326-Q330 WeakPolarHBondContact O-CG 3.48Å; V327-Q330 PolarHBondContact O-N 3.32Å; V328-Q330 PolarHBondContact O-N 2.87Å
331A98.4Very high97.7Very high10 Ų1034.3 Ų34.38%0.08318%0.178CC..  trans-73.3144.7-175.800000112.2L209 V328 I334 C367L209-A331 HydrophobicContact CB-CB 3.81Å; L209-A331 HydrophobicContact CD2-CB 4.22Å; V328-A331 PolarHBondContact O-N 3.44Å; V328-A331 VanDerWaalsContact O-N 3.16Å; A331-I334 HydrophobicContact CB-CD1 3.98Å; A331-I334 HydrophobicContact CB-CG1 3.58Å; A331-C367 PolarHBondContact O-SG 3.05Å
332R98.4Very high97.7Very high159 Ų15933.9 Ų33.960%0.618%0.177SC*.SBendtrans-106.6-18.7167.7-65.3-163.1-173.6-168.6-1.6112.9V205 R206 P207 C367 I368V205-R332 HydrophobicContact CG1-CB 3.69Å; R206-R332 VanDerWaalsContact O-CD 3.26Å; R206-R332 WeakPolarHBondContact O-CD 3.27Å; P207-R332 PolarHBondContact O-N 2.95Å; R332-C367 PolarHBondContact O-SG 3.22Å; R332-I368 PolarHBondContact O-N 2.96Å
333L98.5Very high97.6Very high1 Ų128.9 Ų28.91%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-137.6132.6171.8174.366000108.3A200 P204 V205 P207 F208 L209 I368 I370A200-L333 HydrophobicContact CB-CD2 4.43Å; P204-L333 HydrophobicContact CB-CD2 3.67Å; V205-L333 WeakPolarHBondContact O-CB 3.18Å; P207-L333 PolarHBondContact O-N 3.16Å; F208-L333 WeakPolarHBondContact CA-O 3.49Å; F208-L333 HydrophobicContact CB-CB 4.5Å; F208-L333 HydrophobicContact CB-CD2 4.42Å; F208-L333 HydrophobicContact CD1-CD2 4.08Å; F208-L333 HydrophobicContact CD2-CB 3.99Å; F208-L333 HydrophobicContact CD2-CD2 3.55Å; F208-L333 HydrophobicContact CD2-CG 3.54Å; F208-L333 WeakPolarHBondContact CD2-O 3.32Å; F208-L333 HydrophobicContact CE1-CD2 4.18Å; F208-L333 HydrophobicContact CE2-CD2 3.7Å; F208-L333 HydrophobicContact CE2-CG 3.75Å; F208-L333 HydrophobicContact CG-CB 4.44Å; F208-L333 HydrophobicContact CG-CD2 3.76Å; F208-L333 HydrophobicContact CG-CG 4.19Å; F208-L333 HydrophobicContact CZ-CD2 4Å; F208-L333 HydrophobicContact CZ-CG 4.49Å; L209-L333 PolarHBondContact N-O 3.35Å; L333-I368 CarbonylContact C-O 3.58Å; L333-I368 VanDerWaalsContact CA-O 3.28Å; L333-I368 WeakPolarHBondContact CA-O 3.5Å; L333-I368 HydrophobicContact CD1-CB 3.66Å; L333-I368 HydrophobicContact CD1-CG2 3.55Å; L333-I370 HydrophobicContact CD1-CD1 4.08Å
334I98.6Very high97.5Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-126.3130.3176.2-58.6173.6000108.7L209 I211 V328 A331 I359 A362 I368 T369 I370L209-I334 HydrophobicContact CB-CG1 4.25Å; L209-I334 HydrophobicContact CD2-CD1 4.37Å; L209-I334 HydrophobicContact CD2-CG1 4.17Å; L209-I334 HydrophobicContact CD2-CG2 4.48Å; L209-I334 CarbonylContact O-C 3.39Å; L209-I334 WeakPolarHBondContact O-CA 3.42Å; I211-I334 HydrophobicContact CD1-CG2 3.65Å; I211-I334 HydrophobicContact CG1-CG2 4.15Å; V328-I334 HydrophobicContact CG1-CD1 3.86Å; A331-I334 HydrophobicContact CB-CD1 3.98Å; A331-I334 HydrophobicContact CB-CG1 3.58Å; I334-I359 HydrophobicContact CD1-CG1 4.29Å; I334-A362 HydrophobicContact CD1-CB 4.36Å; I334-I368 PolarHBondContact N-O 3.33Å; I334-T369 HydrophobicContact CB-CG2 4.23Å; I334-T369 HydrophobicContact CD1-CG2 4.22Å; I334-I370 PolarHBondContact O-N 2.89Å
335V97.9Very high97.5Very high2 Ų233.1 Ų33.11%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-112.8122.3162.2169.60000107.9A200 F208 L209 A210 I211 M227 I370 L403A200-V335 HydrophobicContact CB-CG2 3.91Å; F208-V335 HydrophobicContact CE2-CB 4Å; F208-V335 HydrophobicContact CE2-CG2 3.64Å; F208-V335 HydrophobicContact CZ-CB 4.31Å; F208-V335 HydrophobicContact CZ-CG2 3.76Å; L209-V335 PolarHBondContact O-N 3.38Å; A210-V335 CarbonylContact C-O 3.47Å; A210-V335 WeakPolarHBondContact CA-O 3.22Å; I211-V335 PolarHBondContact N-O 2.92Å; M227-V335 HydrophobicContact CE-CB 4.45Å; V335-I370 CarbonylContact C-O 3.51Å; V335-I370 WeakPolarHBondContact CA-O 3.48Å; V335-I370 HydrophobicContact CG2-CB 4.06Å; V335-I370 HydrophobicContact CG2-CD1 4.22Å; V335-I370 HydrophobicContact CG2-CG2 4.46Å; V335-L403 HydrophobicContact CG1-CD1 3.83Å; V335-L403 HydrophobicContact CG1-CD2 4.01Å
336W97.7Very high97.3Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-115.8123.2178.7-178.418.1000111.2I211 G338 T352 L355 M356 I359 I370 I371 G372 T376I211-W336 HydrophobicContact CB-CB 4.17Å; I211-W336 HydrophobicContact CB-CG 4.04Å; I211-W336 HydrophobicContact CD1-CB 4.46Å; I211-W336 VanDerWaalsContact CG2-CD1 3.49Å; I211-W336 HydrophobicContact CG2-CG 4.18Å; I211-W336 WeakPolarHBondContact O-CA 3.31Å; W336-G338 PolarHBondContact NE1-O 3.4Å; W336-T352 HydrophobicContact CH2-CG2 3.93Å; W336-T352 HydrophobicContact CZ2-CG2 3.81Å; W336-L355 HydrophobicContact CD2-CD2 4.17Å; W336-L355 HydrophobicContact CH2-CD2 4.17Å; W336-L355 HydrophobicContact CZ2-CD2 3.74Å; W336-M356 HydrophobicContact CE3-CE 4.26Å; W336-M356 HydrophobicContact CH2-CB 4.16Å; W336-M356 HydrophobicContact CH2-CE 3.84Å; W336-M356 HydrophobicContact CZ3-CB 4Å; W336-M356 HydrophobicContact CZ3-CE 3.32Å; W336-M356 HydrophobicContact CZ3-SD 3.78Å; W336-I359 HydrophobicContact CB-CD1 4.43Å; W336-I359 HydrophobicContact CD2-CD1 3.86Å; W336-I359 HydrophobicContact CE3-CD1 3.26Å; W336-I359 HydrophobicContact CG-CD1 4.36Å; W336-I359 HydrophobicContact CZ3-CD1 3.76Å; W336-I370 PolarHBondContact N-O 2.81Å; W336-I371 HydrophobicContact CB-CD1 3.97Å; W336-I371 HydrophobicContact CD2-CD1 4.42Å; W336-I371 HydrophobicContact CE3-CD1 3.71Å; W336-G372 PolarHBondContact O-N 3.17Å; W336-T376 HydrophobicContact CD2-CG2 3.39Å; W336-T376 VanDerWaalsContact CE2-CG2 3.41Å; W336-T376 HydrophobicContact CE3-CG2 3.83Å; W336-T376 HydrophobicContact CG-CG2 3.76Å; W336-T376 HydrophobicContact CH2-CG2 4.26Å; W336-T376 HydrophobicContact CZ2-CG2 3.86Å; W336-T376 HydrophobicContact CZ3-CG2 4.25Å
337N95Very high97.3Very high2 Ų233.6 Ų33.61%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-136.6102.1177.2-167.6-83.1000111.4I211 L212 G213 K220 L223 G372 G373I211-N337 PolarHBondContact O-N 2.76Å; L212-N337 WeakPolarHBondContact CA-O 3.49Å; L212-N337 HydrophobicContact CD2-CB 4.11Å; G213-N337 PolarHBondContact N-O 3.17Å; K220-N337 PolarHBondContact NZ-OD1 3.47Å; L223-N337 HydrophobicContact CD2-CB 4.49Å; N337-G372 VanDerWaalsContact ND2-C 3.27Å; N337-G372 PolarHBondContact ND2-O 2.93Å; N337-G373 PolarHBondContact ND2-N 2.87Å
338G93.7Very high97.3Very high6 Ų633.1 Ų33.16%0.06218%0.177CC..SBendtrans106.7132.2174.600000112.7W336 T376W336-G338 PolarHBondContact NE1-O 3.4Å; G338-T376 PolarHBondContact N-OG1 3Å
339P96.3Very high97.3Very high10 Ų1033.4 Ų33.47%0.06518%0.179CC..  trans-66160178.829.5-35.6000112G213 G214 F343 T352 D375G213-P339 WeakPolarHBondContact CA-O 3.13Å; G214-P339 PolarHBondContact N-O 3.47Å; P339-F343 HydrophobicContact CB-CB 4.37Å; P339-F343 HydrophobicContact CB-CD1 3.97Å; P339-F343 HydrophobicContact CB-CG 4.41Å; P339-F343 HydrophobicContact CG-CD1 3.86Å; P339-F343 HydrophobicContact CG-CE1 4.34Å; P339-T352 HydrophobicContact CB-CG2 3.7Å; P339-D375 HydrophobicContact CG-CB 4.34Å
340L97.2Very high97.3Very high3 Ų336.9 Ų36.92%0.01618%0.181CC..SBendtrans-87.5-8.1-179.9-57.8-171.8000113.6I211 I235 G238 T352 L355I211-L340 HydrophobicContact CG2-CD2 4.09Å; I235-L340 HydrophobicContact CG2-CD2 4.41Å; G238-L340 VanDerWaalsContact CA-O 3.24Å; G238-L340 WeakPolarHBondContact CA-O 3.29Å; G238-L340 PolarHBondContact N-O 2.85Å; G238-L340 VanDerWaalsContact N-O 3.11Å; L340-T352 PolarHBondContact N-OG1 3.32Å; L340-L355 HydrophobicContact CD1-CB 3.98Å; L340-L355 HydrophobicContact CD1-CD1 4.44Å; L340-L355 HydrophobicContact CD1-CD2 3.58Å; L340-L355 HydrophobicContact CD1-CG 4.19Å; L340-L355 HydrophobicContact CD2-CD2 4.16Å; L340-L355 HydrophobicContact CG-CD2 3.79Å
341G97.1Very high97.3Very high11 Ų1132.2 Ų32.211%0.11316%0.16CC..SBendtrans-159.6-174179.900000111.8L314 F343 T352L314-G341 CarbonylContact O-C 3.51Å; L314-G341 WeakPolarHBondContact O-CA 3.5Å; G341-F343 PolarHBondContact O-N 3.3Å; G341-T352 PolarHBondContact N-OG1 2.78Å
342V97.8Very high97.3Very high25 Ų2531.8 Ų31.815%0.15216%0.156CC..  trans-77.673.5176.5-170.60000109.5F292 L314 E344 W345 F348F292-V342 HydrophobicContact CE2-CG1 4.49Å; F292-V342 HydrophobicContact CE2-CG2 3.95Å; L314-V342 HydrophobicContact CB-CG2 4.05Å; L314-V342 HydrophobicContact CD2-CG2 4.03Å; L314-V342 HydrophobicContact CG-CG2 4.45Å; L314-V342 PolarHBondContact O-N 3.24Å; V342-E344 PolarHBondContact O-N 3.44Å; V342-E344 VanDerWaalsContact O-N 3.07Å; V342-W345 HydrophobicContact CB-CE3 4.25Å; V342-W345 HydrophobicContact CG1-CD2 3.79Å; V342-W345 HydrophobicContact CG1-CE3 3.59Å; V342-W345 HydrophobicContact CG1-CG 4.3Å; V342-W345 HydrophobicContact CG1-CZ3 4.01Å; V342-W345 PolarHBondContact O-N 2.95Å; V342-W345 VanDerWaalsContact O-N 3.11Å; V342-F348 CarbonylContact C-O 3.25Å; V342-F348 HydrophobicContact CB-CB 4.17Å; V342-F348 PolarHBondContact N-O 2.86Å
343F97.1Very high97.3Very high6 Ų627 Ų273%0.02614%0.139CC..THydrogen-bonded Turntrans-63.5-16-169.782.5-78.8000114.5P339 G341 W345 A349 T352 D375 T378 C379 K382 W383P339-F343 HydrophobicContact CB-CB 4.37Å; P339-F343 HydrophobicContact CB-CD1 3.97Å; P339-F343 HydrophobicContact CB-CG 4.41Å; P339-F343 HydrophobicContact CG-CD1 3.86Å; P339-F343 HydrophobicContact CG-CE1 4.34Å; G341-F343 PolarHBondContact O-N 3.3Å; F343-W345 PolarHBondContact O-N 3.06Å; F343-A349 HydrophobicContact CB-CB 4.42Å; F343-A349 WeakPolarHBondContact O-CB 3.4Å; F343-T352 HydrophobicContact CB-CG2 4.07Å; F343-D375 HydrophobicContact CE1-CB 4.12Å; F343-T378 HydrophobicContact CE2-CG2 4.04Å; F343-T378 HydrophobicContact CZ-CG2 3.95Å; F343-C379 HydrophobicContact CD2-CB 4.38Å; F343-C379 WeakPolarHBondContact CD2-SG 3.3Å; F343-C379 VanDerWaalsContact CE2-SG 3.58Å; F343-C379 WeakPolarHBondContact CG-SG 3.48Å; F343-K382 HydrophobicContact CD2-CD 4.21Å; F343-K382 HydrophobicContact CE2-CD 4.39Å; F343-K382 PolarHBondContact O-NZ 2.97Å; F343-W383 HydrophobicContact CB-CH2 4.32Å
344E96Very high97.3Very high95 Ų9528.7 Ų28.744%0.44415%0.153SC..THydrogen-bonded Turntrans-59.9-36.8174.6-64.687.4164.500110.9V342 K382V342-E344 PolarHBondContact O-N 3.44Å; V342-E344 VanDerWaalsContact O-N 3.07Å; E344-K382 PolarHBondContact O-NZ 3.47Å
345W97.5Very high97.3Very high44 Ų4428.9 Ų28.917%0.16715%0.154CC..SBendtrans-103.8125.5-175.6-58.2-25.8000111.4F292 E294 L314 V342 F343 A347 F348 A349F292-W345 AromaticContact CD1-CH2 3.67Å; F292-W345 HydrophobicContact CD1-CH2 3.67Å; F292-W345 HydrophobicContact CD1-CZ3 4.37Å; F292-W345 HydrophobicContact CD2-CH2 4.02Å; F292-W345 AromaticContact CD2-CZ3 3.89Å; F292-W345 HydrophobicContact CD2-CZ3 3.89Å; F292-W345 AromaticContact CE1-CH2 3.57Å; F292-W345 HydrophobicContact CE1-CH2 3.57Å; F292-W345 HydrophobicContact CE1-CZ2 4.28Å; F292-W345 HydrophobicContact CE1-CZ3 4.33Å; F292-W345 AromaticContact CE2-CH2 3.94Å; F292-W345 HydrophobicContact CE2-CH2 3.94Å; F292-W345 AromaticContact CE2-CZ3 3.86Å; F292-W345 HydrophobicContact CE2-CZ3 3.86Å; F292-W345 AromaticContact CG-CH2 3.89Å; F292-W345 HydrophobicContact CG-CH2 3.89Å; F292-W345 HydrophobicContact CG-CZ3 4.15Å; F292-W345 AromaticContact CZ-CH2 3.71Å; F292-W345 HydrophobicContact CZ-CH2 3.71Å; F292-W345 HydrophobicContact CZ-CZ2 4.49Å; F292-W345 HydrophobicContact CZ-CZ3 4.08Å; E294-W345 HydrophobicContact CB-CD2 4.01Å; E294-W345 HydrophobicContact CB-CG 3.83Å; E294-W345 HydrophobicContact CG-CB 4.11Å; E294-W345 HydrophobicContact CG-CG 3.85Å; L314-W345 HydrophobicContact CD1-CZ3 4.25Å; V342-W345 HydrophobicContact CB-CE3 4.25Å; V342-W345 HydrophobicContact CG1-CD2 3.79Å; V342-W345 HydrophobicContact CG1-CE3 3.59Å; V342-W345 HydrophobicContact CG1-CG 4.3Å; V342-W345 HydrophobicContact CG1-CZ3 4.01Å; V342-W345 PolarHBondContact O-N 2.95Å; V342-W345 VanDerWaalsContact O-N 3.11Å; F343-W345 PolarHBondContact O-N 3.06Å; W345-A347 PolarHBondContact O-N 2.89Å; W345-A347 VanDerWaalsContact O-N 3.12Å; W345-F348 HydrophobicContact CB-CD2 3.89Å; W345-F348 HydrophobicContact CD2-CD2 4.48Å; W345-F348 AromaticContact CE3-CD2 3.73Å; W345-F348 HydrophobicContact CE3-CD2 3.73Å; W345-F348 AromaticContact CE3-CE2 3.98Å; W345-F348 HydrophobicContact CE3-CE2 3.98Å; W345-F348 CarbonylContact O-C 3.51Å; W345-F348 PolarHBondContact O-N 3.25Å; W345-A349 WeakPolarHBondContact O-CB 3.22Å; W345-A349 PolarHBondContact O-N 3.49Å; W345-A349 VanDerWaalsContact O-N 3.08Å
346D96.3Very high97.4Very high117 Ų11728.8 Ų28.863%0.62615%0.154SC*.G310 helixtrans-61.8-29.1-170-71.5-13.1000113.9F348 K382D346-F348 PolarHBondContact O-N 3.44Å; D346-K382 IonicContact OD1-NZ 3.81Å; D346-K382 PolarHBondContact OD1-NZ 3.23Å
347A97.1Very high97.4Very high35 Ų3532.3 Ų32.329%0.28917%0.172SC..G310 helixtrans-63.8-25.8174.300000113.5V298 W345V298-A347 HydrophobicContact CG2-CB 4.08Å; W345-A347 PolarHBondContact O-N 2.89Å; W345-A347 VanDerWaalsContact O-N 3.12Å
348F98.3Very high97.6Very high0 Ų034.5 Ų34.50%018%0.183CC..G310 helixtrans-123.717.1-172.6-47-67.4000112.9V287 A289 A296 V298 L314 D315 V342 W345 D346V287-F348 HydrophobicContact CG1-CD1 3.92Å; V287-F348 HydrophobicContact CG1-CE1 4.09Å; A289-F348 HydrophobicContact CB-CE1 3.91Å; A289-F348 HydrophobicContact CB-CZ 3.68Å; A296-F348 HydrophobicContact CB-CZ 4.32Å; V298-F348 HydrophobicContact CG2-CE1 4.04Å; V298-F348 HydrophobicContact CG2-CZ 3.99Å; L314-F348 HydrophobicContact CB-CB 4.05Å; L314-F348 HydrophobicContact CB-CD1 3.59Å; L314-F348 HydrophobicContact CB-CD2 4.42Å; L314-F348 HydrophobicContact CB-CE1 4.13Å; L314-F348 HydrophobicContact CB-CG 3.75Å; L314-F348 HydrophobicContact CD1-CD1 4.25Å; L314-F348 HydrophobicContact CD1-CD2 4.08Å; L314-F348 HydrophobicContact CD1-CE1 4.11Å; L314-F348 HydrophobicContact CD1-CE2 3.93Å; L314-F348 HydrophobicContact CD1-CG 4.22Å; L314-F348 HydrophobicContact CD1-CZ 3.95Å; L314-F348 HydrophobicContact CG-CD1 4.47Å; D315-F348 HydrophobicContact CB-CB 4.18Å; D315-F348 WeakPolarHBondContact CB-O 3.13Å; D315-F348 VanDerWaalsContact OD2-C 3.29Å; V342-F348 CarbonylContact C-O 3.25Å; V342-F348 HydrophobicContact CB-CB 4.17Å; V342-F348 PolarHBondContact N-O 2.86Å; W345-F348 HydrophobicContact CB-CD2 3.89Å; W345-F348 HydrophobicContact CD2-CD2 4.48Å; W345-F348 AromaticContact CE3-CD2 3.73Å; W345-F348 HydrophobicContact CE3-CD2 3.73Å; W345-F348 AromaticContact CE3-CE2 3.98Å; W345-F348 HydrophobicContact CE3-CE2 3.98Å; W345-F348 CarbonylContact O-C 3.51Å; W345-F348 PolarHBondContact O-N 3.25Å; D346-F348 PolarHBondContact O-N 3.44Å
349A97.9Very high97.8Very high6 Ų634.2 Ų34.25%0.0518%0.18CC..  trans-102.4-8.5-179.800000113.9F343 W345 G351 T352 K353 W383F343-A349 HydrophobicContact CB-CB 4.42Å; F343-A349 WeakPolarHBondContact O-CB 3.4Å; W345-A349 WeakPolarHBondContact O-CB 3.22Å; W345-A349 PolarHBondContact O-N 3.49Å; W345-A349 VanDerWaalsContact O-N 3.08Å; A349-G351 PolarHBondContact O-N 2.93Å; A349-T352 PolarHBondContact O-N 3.4Å; A349-K353 WeakPolarHBondContact O-CB 3.22Å; A349-K353 PolarHBondContact O-N 2.58Å; A349-W383 HydrophobicContact CB-CZ2 4.34Å
350K98.1Very high98Very high145 Ų14535.2 Ų35.263%0.6319%0.185SC*.Hα-helixtrans-66-40.9-168.6-70.3-178.3-178.7173.40112.5D315 K353 A354D315-K350 PolarHBondContact OD2-N 3.1Å; K350-K353 PolarHBondContact O-N 2.86Å; K350-A354 VanDerWaalsContact O-CB 3.23Å; K350-A354 WeakPolarHBondContact O-CB 3.41Å; K350-A354 PolarHBondContact O-N 2.86Å
351G98.3Very high98Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-65.1-4617800000112.1D315 N321 A349 K353 A354 L355D315-G351 WeakPolarHBondContact OD1-CA 3.29Å; D315-G351 PolarHBondContact OD1-N 3.29Å; D315-G351 PolarHBondContact OD2-N 3.39Å; N321-G351 VanDerWaalsContact OD1-CA 3.32Å; N321-G351 WeakPolarHBondContact OD1-CA 3.39Å; A349-G351 PolarHBondContact O-N 2.93Å; G351-K353 PolarHBondContact O-N 3.15Å; G351-A354 PolarHBondContact O-N 2.95Å; G351-L355 WeakPolarHBondContact O-CB 3.15Å; G351-L355 PolarHBondContact O-N 2.9Å
352T98.6Very high98.1Very high0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-62.6-41.9175.1-57.60000111.6W336 P339 L340 G341 F343 A349 M356 W383W336-T352 HydrophobicContact CH2-CG2 3.93Å; W336-T352 HydrophobicContact CZ2-CG2 3.81Å; P339-T352 HydrophobicContact CB-CG2 3.7Å; L340-T352 PolarHBondContact N-OG1 3.32Å; G341-T352 PolarHBondContact N-OG1 2.78Å; F343-T352 HydrophobicContact CB-CG2 4.07Å; A349-T352 PolarHBondContact O-N 3.4Å; T352-M356 PolarHBondContact O-N 2.87Å; T352-W383 HydrophobicContact CG2-CH2 3.59Å; T352-W383 HydrophobicContact CG2-CZ3 3.84Å
353K98.6Very high98.1Very high60 Ų6039.2 Ų39.226%0.26120%0.201SC..Hα-helixtrans-66.9-46.1177.7178.354.9178.5152.20112.3A349 K350 G351 L355 M356 D357 W383A349-K353 WeakPolarHBondContact O-CB 3.22Å; A349-K353 PolarHBondContact O-N 2.58Å; K350-K353 PolarHBondContact O-N 2.86Å; G351-K353 PolarHBondContact O-N 3.15Å; K353-L355 VanDerWaalsContact C-N 3.3Å; K353-L355 PolarHBondContact O-N 3.16Å; K353-M356 WeakPolarHBondContact O-CB 3.44Å; K353-M356 PolarHBondContact O-N 2.82Å; K353-M356 VanDerWaalsContact O-N 3.15Å; K353-D357 WeakPolarHBondContact CE-OD1 3.26Å; K353-D357 IonicContact NZ-OD1 2.71Å; K353-D357 PolarHBondContact NZ-OD1 3.4Å; K353-D357 IonicContact NZ-OD2 2.95Å; K353-D357 PolarHBondContact O-N 2.94Å; K353-W383 HydrophobicContact CB-CH2 3.85Å; K353-W383 HydrophobicContact CB-CZ2 3.8Å; K353-W383 HydrophobicContact CB-CZ3 4.25Å; K353-W383 HydrophobicContact CD-CB 4.39Å; K353-W383 HydrophobicContact CD-CD2 3.52Å; K353-W383 HydrophobicContact CD-CE3 3.81Å; K353-W383 HydrophobicContact CD-CG 3.77Å; K353-W383 HydrophobicContact CD-CZ2 4.27Å; K353-W383 HydrophobicContact CD-CZ3 4.28Å; K353-W383 HydrophobicContact CG-CZ2 4.49Å
354A98.6Very high98.2Very high35 Ų3543.8 Ų43.829%0.28923%0.234SC..Hα-helixtrans-60.7-40.6177.600000111.6N321 K350 G351 D357 E358N321-A354 HydrophobicContact CB-CB 4.47Å; K350-A354 VanDerWaalsContact O-CB 3.23Å; K350-A354 WeakPolarHBondContact O-CB 3.41Å; K350-A354 PolarHBondContact O-N 2.86Å; G351-A354 PolarHBondContact O-N 2.95Å; A354-D357 PolarHBondContact O-N 2.86Å; A354-E358 PolarHBondContact O-N 3.41Å; A354-E358 VanDerWaalsContact O-N 3.15Å
355L98.7Very high98.3Very high5 Ų546.8 Ų46.83%0.02625%0.245CC..Hα-helixtrans-62.3-45.3173.7-176.873.3000111.8I211 H324 V328 W336 L340 G351 K353 D357 E358 I359I211-L355 HydrophobicContact CD1-CD1 4.08Å; I211-L355 HydrophobicContact CD1-CD2 4.07Å; I211-L355 HydrophobicContact CD1-CG 4.39Å; I211-L355 HydrophobicContact CG2-CD2 3.65Å; H324-L355 HydrophobicContact CB-CD1 4.04Å; V328-L355 HydrophobicContact CG2-CD1 3.8Å; W336-L355 HydrophobicContact CD2-CD2 4.17Å; W336-L355 HydrophobicContact CH2-CD2 4.17Å; W336-L355 HydrophobicContact CZ2-CD2 3.74Å; L340-L355 HydrophobicContact CD1-CB 3.98Å; L340-L355 HydrophobicContact CD1-CD1 4.44Å; L340-L355 HydrophobicContact CD1-CD2 3.58Å; L340-L355 HydrophobicContact CD1-CG 4.19Å; L340-L355 HydrophobicContact CD2-CD2 4.16Å; L340-L355 HydrophobicContact CG-CD2 3.79Å; G351-L355 WeakPolarHBondContact O-CB 3.15Å; G351-L355 PolarHBondContact O-N 2.9Å; K353-L355 VanDerWaalsContact C-N 3.3Å; K353-L355 PolarHBondContact O-N 3.16Å; L355-D357 VanDerWaalsContact C-N 3.29Å; L355-D357 PolarHBondContact O-N 3.46Å; L355-E358 PolarHBondContact O-N 2.79Å; L355-I359 HydrophobicContact CD1-CD1 4.47Å; L355-I359 HydrophobicContact CD2-CD1 4.23Å; L355-I359 HydrophobicContact CG-CD1 3.91Å; L355-I359 HydrophobicContact CG-CG1 4.47Å; L355-I359 VanDerWaalsContact O-CG1 3.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.47Å; L355-I359 PolarHBondContact O-N 3.36Å
356M98.8Very high98.3Very high0 Ų047.7 Ų47.70%027%0.268CS..Hα-helixtrans-56.2-44.7176-179.76774.800111.5W336 T352 K353 E358 I359 V360 C379 C380 W383 T385 V389W336-M356 HydrophobicContact CE3-CE 4.26Å; W336-M356 HydrophobicContact CH2-CB 4.16Å; W336-M356 HydrophobicContact CH2-CE 3.84Å; W336-M356 HydrophobicContact CZ3-CB 4Å; W336-M356 HydrophobicContact CZ3-CE 3.32Å; W336-M356 HydrophobicContact CZ3-SD 3.78Å; T352-M356 PolarHBondContact O-N 2.87Å; K353-M356 WeakPolarHBondContact O-CB 3.44Å; K353-M356 PolarHBondContact O-N 2.82Å; K353-M356 VanDerWaalsContact O-N 3.15Å; M356-E358 VanDerWaalsContact C-N 3.35Å; M356-E358 PolarHBondContact O-N 3.37Å; M356-I359 PolarHBondContact O-N 3.17Å; M356-V360 WeakPolarHBondContact O-CG2 3.15Å; M356-V360 PolarHBondContact O-N 3.33Å; M356-V360 HydrophobicContact SD-CG2 4.48Å; M356-C379 HydrophobicContact CE-CB 4.12Å; M356-C380 HydrophobicContact CE-CB 4.28Å; M356-C380 WeakPolarHBondContact CE-SG 3.4Å; M356-W383 HydrophobicContact CB-CE3 4.1Å; M356-W383 HydrophobicContact CB-CZ3 4.12Å; M356-W383 HydrophobicContact CE-CE3 4.27Å; M356-W383 HydrophobicContact CE-CZ3 4.46Å; M356-W383 HydrophobicContact CG-CE3 4.1Å; M356-T385 HydrophobicContact CG-CG2 3.96Å; M356-T385 HydrophobicContact SD-CG2 4.38Å; M356-T385 PolarHBondContact SD-OG1 2.76Å; M356-V389 HydrophobicContact SD-CG1 4.46Å
357D98.7Very high98.4Very high73 Ų7342.5 Ų42.539%0.3924%0.241SC..Hα-helixtrans-63.9-39.8-178.8-66.9-22.7000111.8K353 A354 L355 V360 K361K353-D357 WeakPolarHBondContact CE-OD1 3.26Å; K353-D357 IonicContact NZ-OD1 2.71Å; K353-D357 PolarHBondContact NZ-OD1 3.4Å; K353-D357 IonicContact NZ-OD2 2.95Å; K353-D357 PolarHBondContact O-N 2.94Å; A354-D357 PolarHBondContact O-N 2.86Å; L355-D357 VanDerWaalsContact C-N 3.29Å; L355-D357 PolarHBondContact O-N 3.46Å; D357-V360 PolarHBondContact O-N 2.75Å; D357-K361 WeakPolarHBondContact O-CB 3.49Å; D357-K361 PolarHBondContact O-N 3.02Å
358E98.8Very high98.4Very high49 Ų4942.5 Ų42.523%0.22924%0.235CC..Hα-helixtrans-70.1-35.1174.4-69.7-61.6143.400112.6A325 V328 A354 L355 M356 K361 A362A325-E358 HydrophobicContact CB-CG 3.71Å; V328-E358 HydrophobicContact CB-CB 4.44Å; V328-E358 HydrophobicContact CG1-CB 3.98Å; V328-E358 WeakPolarHBondContact CG1-O 3.42Å; A354-E358 PolarHBondContact O-N 3.41Å; A354-E358 VanDerWaalsContact O-N 3.15Å; L355-E358 PolarHBondContact O-N 2.79Å; M356-E358 VanDerWaalsContact C-N 3.35Å; M356-E358 PolarHBondContact O-N 3.37Å; E358-K361 PolarHBondContact O-N 2.86Å; E358-K361 IonicContact OE1-NZ 3.96Å; E358-K361 PolarHBondContact OE1-NZ 3.17Å; E358-K361 VanDerWaalsContact OE1-NZ 3.15Å; E358-K361 IonicContact OE2-NZ 3.76Å; E358-K361 PolarHBondContact OE2-NZ 3.3Å; E358-A362 WeakPolarHBondContact O-CB 3.33Å; E358-A362 PolarHBondContact O-N 3.42Å
359I98.8Very high98.4Very high0 Ų042.5 Ų42.50%024%0.235CC..Hα-helixtrans-63.7-46.5173.9-71.2170000110.4I211 V328 I334 W336 L355 M356 K361 A362 T363 T369 I371 V389I211-I359 HydrophobicContact CD1-CD1 3.73Å; I211-I359 HydrophobicContact CD1-CG1 4.34Å; V328-I359 HydrophobicContact CG1-CG1 4.22Å; V328-I359 HydrophobicContact CG2-CG1 4.37Å; I334-I359 HydrophobicContact CD1-CG1 4.29Å; W336-I359 HydrophobicContact CB-CD1 4.43Å; W336-I359 HydrophobicContact CD2-CD1 3.86Å; W336-I359 HydrophobicContact CE3-CD1 3.26Å; W336-I359 HydrophobicContact CG-CD1 4.36Å; W336-I359 HydrophobicContact CZ3-CD1 3.76Å; L355-I359 HydrophobicContact CD1-CD1 4.47Å; L355-I359 HydrophobicContact CD2-CD1 4.23Å; L355-I359 HydrophobicContact CG-CD1 3.91Å; L355-I359 HydrophobicContact CG-CG1 4.47Å; L355-I359 VanDerWaalsContact O-CG1 3.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.47Å; L355-I359 PolarHBondContact O-N 3.36Å; M356-I359 PolarHBondContact O-N 3.17Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 3.42Å; I359-A362 WeakPolarHBondContact O-CB 3.47Å; I359-A362 PolarHBondContact O-N 3.48Å; I359-A362 VanDerWaalsContact O-N 3.11Å; I359-T363 PolarHBondContact O-N 3.27Å; I359-T363 PolarHBondContact O-OG1 2.65Å; I359-T369 HydrophobicContact CG2-CG2 3.71Å; I359-I371 HydrophobicContact CG2-CD1 4.49Å; I359-V389 HydrophobicContact CG2-CG1 4.21Å
360V98.8Very high98.4Very high30 Ų3042.2 Ų42.218%0.18223%0.233CC..Hα-helixtrans-57.7-44.9176.2163.60000111.1M356 D357 A362 T363 S364 T385 K388 V389M356-V360 WeakPolarHBondContact O-CG2 3.15Å; M356-V360 PolarHBondContact O-N 3.33Å; M356-V360 HydrophobicContact SD-CG2 4.48Å; D357-V360 PolarHBondContact O-N 2.75Å; V360-A362 VanDerWaalsContact C-N 3.34Å; V360-A362 PolarHBondContact O-N 3.25Å; V360-T363 WeakPolarHBondContact O-CB 3.47Å; V360-T363 PolarHBondContact O-N 3.33Å; V360-S364 PolarHBondContact O-N 3.34Å; V360-T385 HydrophobicContact CG2-CG2 4.14Å; V360-K388 HydrophobicContact CB-CB 4.44Å; V360-K388 HydrophobicContact CG1-CB 3.85Å; V360-K388 HydrophobicContact CG1-CD 4.26Å; V360-K388 HydrophobicContact CG2-CB 3.79Å; V360-V389 HydrophobicContact CG2-CG1 4.18Å
361K98.7Very high98.2Very high90 Ų9035.3 Ų35.339%0.39120%0.203SC..Hα-helixtrans-65.7-34.1176.1177.5-178.6163.7-155.10112.8D357 E358 I359 S364 K365D357-K361 WeakPolarHBondContact O-CB 3.49Å; D357-K361 PolarHBondContact O-N 3.02Å; E358-K361 PolarHBondContact O-N 2.86Å; E358-K361 IonicContact OE1-NZ 3.96Å; E358-K361 PolarHBondContact OE1-NZ 3.17Å; E358-K361 VanDerWaalsContact OE1-NZ 3.15Å; E358-K361 IonicContact OE2-NZ 3.76Å; E358-K361 PolarHBondContact OE2-NZ 3.3Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 3.42Å; K361-S364 PolarHBondContact O-OG 3.08Å; K361-K365 WeakPolarHBondContact O-CG 3.44Å; K361-K365 PolarHBondContact O-N 3.33Å
362A98.6Very high97.9Very high8 Ų835.3 Ų35.37%0.06620%0.203CC..Hα-helixtrans-67-41.7171.500000110.6V328 I334 E358 I359 V360 S364 K365 G366 C367V328-A362 HydrophobicContact CG1-CB 3.97Å; I334-A362 HydrophobicContact CD1-CB 4.36Å; E358-A362 WeakPolarHBondContact O-CB 3.33Å; E358-A362 PolarHBondContact O-N 3.42Å; I359-A362 WeakPolarHBondContact O-CB 3.47Å; I359-A362 PolarHBondContact O-N 3.48Å; I359-A362 VanDerWaalsContact O-N 3.11Å; V360-A362 VanDerWaalsContact C-N 3.34Å; V360-A362 PolarHBondContact O-N 3.25Å; A362-S364 PolarHBondContact O-N 3.25Å; A362-K365 CarbonylContact O-C 3.53Å; A362-K365 PolarHBondContact O-N 2.72Å; A362-K365 VanDerWaalsContact O-N 3.09Å; A362-G366 PolarHBondContact O-N 3.07Å; A362-C367 HydrophobicContact CB-CB 3.83Å; A362-C367 WeakPolarHBondContact O-CB 3.26Å; A362-C367 PolarHBondContact O-N 3.23Å
363T98.6Very high97.2Very high26 Ų2635.8 Ų35.816%0.1621%0.208CC..Hα-helixtrans-58.2-46.4175.4-45.70000111.7I359 V360 K365 G366 C367 T369 K388I359-T363 PolarHBondContact O-N 3.27Å; I359-T363 PolarHBondContact O-OG1 2.65Å; V360-T363 WeakPolarHBondContact O-CB 3.47Å; V360-T363 PolarHBondContact O-N 3.33Å; T363-K365 PolarHBondContact O-N 3.41Å; T363-K365 VanDerWaalsContact O-N 3.11Å; T363-G366 PolarHBondContact O-N 3.32Å; T363-C367 WeakPolarHBondContact CA-O 3.26Å; T363-T369 VanDerWaalsContact OG1-CG2 3.22Å; T363-T369 WeakPolarHBondContact OG1-CG2 3.44Å; T363-T369 PolarHBondContact OG1-OG1 2.67Å; T363-K388 WeakPolarHBondContact CB-O 3.37Å
364S98.3Very high96.5Very high101 Ų10135 Ų3571%0.70622%0.217SC*.Hα-helixtrans-63.7-18.8179.372.10000113.2V360 K361 A362V360-S364 PolarHBondContact O-N 3.34Å; K361-S364 PolarHBondContact O-OG 3.08Å; A362-S364 PolarHBondContact O-N 3.25Å
365K97.8Very high96.1Very high159 Ų15937.8 Ų37.869%0.69123%0.227SC*.THydrogen-bonded Turntrans-93.35.4173.9-66.6176.6-179.4-175.10113.6K361 A362 T363K361-K365 WeakPolarHBondContact O-CG 3.44Å; K361-K365 PolarHBondContact O-N 3.33Å; A362-K365 CarbonylContact O-C 3.53Å; A362-K365 PolarHBondContact O-N 2.72Å; A362-K365 VanDerWaalsContact O-N 3.09Å; T363-K365 PolarHBondContact O-N 3.41Å; T363-K365 VanDerWaalsContact O-N 3.11Å
366G97.1Very high95.8Very high62 Ų6237.6 Ų37.664%0.63923%0.226SC*.THydrogen-bonded Turntrans96.47177.500000115.3A362 T363 I368A362-G366 PolarHBondContact O-N 3.07Å; T363-G366 PolarHBondContact O-N 3.32Å; G366-I368 PolarHBondContact O-N 2.86Å
367C98.3Very high95.3Very high8 Ų838.7 Ų38.75%0.05424%0.235CC..  trans-67.6131.6170.7-175.70000110.2A331 R332 A362 T363 T369A331-C367 PolarHBondContact O-SG 3.05Å; R332-C367 PolarHBondContact O-SG 3.22Å; A362-C367 HydrophobicContact CB-CB 3.83Å; A362-C367 WeakPolarHBondContact O-CB 3.26Å; A362-C367 PolarHBondContact O-N 3.23Å; T363-C367 WeakPolarHBondContact CA-O 3.26Å; C367-T369 HydrophobicContact CB-CG2 4.4Å; C367-T369 PolarHBondContact O-N 3.19Å
368I98.2Very high94.9Very high35 Ų3538.7 Ų38.718%0.17924%0.238CC..EExtended strand (participates in β ladder)trans-75.7126.1171.6-57.4174000107.5Y196 K199 V205 R332 L333 I334 G366 I370Y196-I368 HydrophobicContact CD1-CG2 4.19Å; Y196-I368 HydrophobicContact CE1-CG2 4.22Å; K199-I368 HydrophobicContact CD-CD1 4.27Å; V205-I368 HydrophobicContact CG2-CD1 4.4Å; R332-I368 PolarHBondContact O-N 2.96Å; L333-I368 CarbonylContact C-O 3.58Å; L333-I368 VanDerWaalsContact CA-O 3.28Å; L333-I368 WeakPolarHBondContact CA-O 3.5Å; L333-I368 HydrophobicContact CD1-CB 3.66Å; L333-I368 HydrophobicContact CD1-CG2 3.55Å; I334-I368 PolarHBondContact N-O 3.33Å; G366-I368 PolarHBondContact O-N 2.86Å; I368-I370 HydrophobicContact CG2-CG1 4.42Å
369T98.4Very high94.7Very high0 Ų036.3 Ų36.30%023%0.227CC..EExtended strand (participates in β ladder)trans-128.3122-175.252.10000110.3I334 I359 T363 C367 S390 H391I334-T369 HydrophobicContact CB-CG2 4.23Å; I334-T369 HydrophobicContact CD1-CG2 4.22Å; I359-T369 HydrophobicContact CG2-CG2 3.71Å; T363-T369 VanDerWaalsContact OG1-CG2 3.22Å; T363-T369 WeakPolarHBondContact OG1-CG2 3.44Å; T363-T369 PolarHBondContact OG1-OG1 2.67Å; C367-T369 HydrophobicContact CB-CG2 4.4Å; C367-T369 PolarHBondContact O-N 3.19Å; T369-S390 PolarHBondContact N-OG 3.4Å; T369-S390 VanDerWaalsContact O-CB 3.24Å; T369-S390 WeakPolarHBondContact O-CB 3.42Å; T369-S390 PolarHBondContact O-N 3.29Å; T369-S390 PolarHBondContact OG1-N 3.47Å; T369-S390 PolarHBondContact OG1-OG 2.8Å; T369-H391 PolarHBondContact O-N 3.29Å
370I97.3Very high94.4Very high0 Ų036.3 Ų36.30%023%0.227CC..EExtended strand (participates in β ladder)trans-120.7115.1-175.2-60.1169.4000108.1Y196 F197 A200 L333 I334 V335 W336 I368Y196-I370 HydrophobicContact CD1-CD1 4.33Å; Y196-I370 HydrophobicContact CD1-CG1 4.02Å; Y196-I370 WeakPolarHBondContact O-CD1 3.38Å; F197-I370 HydrophobicContact CE1-CG2 4.1Å; F197-I370 HydrophobicContact CZ-CG2 4.25Å; A200-I370 HydrophobicContact CB-CD1 3.99Å; L333-I370 HydrophobicContact CD1-CD1 4.08Å; I334-I370 PolarHBondContact O-N 2.89Å; V335-I370 CarbonylContact C-O 3.51Å; V335-I370 WeakPolarHBondContact CA-O 3.48Å; V335-I370 HydrophobicContact CG2-CB 4.06Å; V335-I370 HydrophobicContact CG2-CD1 4.22Å; V335-I370 HydrophobicContact CG2-CG2 4.46Å; W336-I370 PolarHBondContact N-O 2.81Å; I368-I370 HydrophobicContact CG2-CG1 4.42Å
371I95.3Very high94Very high0 Ų036.5 Ų36.50%023%0.232CC..EExtended strand (participates in β ladder)trans-97.4121177.6-49.4-54.1000108.7W336 I359 T376 V389 H391 V392 S393W336-I371 HydrophobicContact CB-CD1 3.97Å; W336-I371 HydrophobicContact CD2-CD1 4.42Å; W336-I371 HydrophobicContact CE3-CD1 3.71Å; I359-I371 HydrophobicContact CG2-CD1 4.49Å; I371-T376 HydrophobicContact CG2-CG2 3.58Å; I371-V389 HydrophobicContact CD1-CG1 4.5Å; I371-V389 HydrophobicContact CG1-CB 4.28Å; I371-V389 HydrophobicContact CG1-CG1 4.32Å; I371-V389 HydrophobicContact CG1-CG2 3.92Å; I371-H391 PolarHBondContact N-O 3.43Å; I371-V392 HydrophobicContact CB-CG1 4.47Å; I371-V392 HydrophobicContact CB-CG2 4.32Å; I371-V392 HydrophobicContact CG1-CG2 4.36Å; I371-S393 VanDerWaalsContact O-CB 3.26Å; I371-S393 WeakPolarHBondContact O-CB 3.46Å; I371-S393 PolarHBondContact O-N 2.77Å
372G90.8Very high93.7Very high0 Ų036 Ų360%023%0.229CC..EExtended strand (participates in β ladder)trans-120.1162.8177.500000112.7W336 N337 T376W336-G372 PolarHBondContact O-N 3.17Å; N337-G372 VanDerWaalsContact ND2-C 3.27Å; N337-G372 PolarHBondContact ND2-O 2.93Å; G372-T376 VanDerWaalsContact O-CB 3.23Å; G372-T376 WeakPolarHBondContact O-CB 3.48Å; G372-T376 PolarHBondContact O-OG1 2.81Å
373G84.7Confident93.6Very high10 Ų1037.5 Ų37.510%0.10323%0.233CC..SBendtrans83.1149.9-179.800000113.2N337 A377N337-G373 PolarHBondContact ND2-N 2.87Å; G373-A377 WeakPolarHBondContact O-CB 3.34Å; G373-A377 PolarHBondContact O-N 2.87Å; G373-A377 VanDerWaalsContact O-N 3.16Å
374G83.8Confident93.5Very high44 Ų4441.5 Ų41.545%0.45425%0.254SS..Hα-helixtrans-62.9-49.9-17600000112.8T376 A377 T378G374-T376 PolarHBondContact O-N 3.46Å; G374-A377 PolarHBondContact O-N 2.95Å; G374-T378 PolarHBondContact O-N 2.9Å; G374-T378 PolarHBondContact O-OG1 3.03Å; G374-T378 VanDerWaalsContact O-OG1 3.06Å
375D88.8Confident93.4Very high94 Ų9436.8 Ų36.850%0.50322%0.221SC..Hα-helixtrans-66.5-40-175.8-55.4-37000112.3P339 F343 A377 T378 C379P339-D375 HydrophobicContact CG-CB 4.34Å; F343-D375 HydrophobicContact CE1-CB 4.12Å; D375-A377 VanDerWaalsContact C-N 3.34Å; D375-A377 PolarHBondContact O-N 2.79Å; D375-T378 CarbonylContact O-C 3.6Å; D375-T378 WeakPolarHBondContact O-CB 3.42Å; D375-T378 PolarHBondContact O-N 3.07Å; D375-C379 PolarHBondContact O-N 3.27Å; D375-C379 PolarHBondContact O-SG 3.01Å
376T92.6Very high93.1Very high1 Ų132 Ų321%0.00620%0.201CC..Hα-helixtrans-65.1-37.9175.6-20.80000112.1W336 G338 I371 G372 G374 T378 C379 C380W336-T376 HydrophobicContact CD2-CG2 3.39Å; W336-T376 VanDerWaalsContact CE2-CG2 3.41Å; W336-T376 HydrophobicContact CE3-CG2 3.83Å; W336-T376 HydrophobicContact CG-CG2 3.76Å; W336-T376 HydrophobicContact CH2-CG2 4.26Å; W336-T376 HydrophobicContact CZ2-CG2 3.86Å; W336-T376 HydrophobicContact CZ3-CG2 4.25Å; G338-T376 PolarHBondContact N-OG1 3Å; I371-T376 HydrophobicContact CG2-CG2 3.58Å; G372-T376 VanDerWaalsContact O-CB 3.23Å; G372-T376 WeakPolarHBondContact O-CB 3.48Å; G372-T376 PolarHBondContact O-OG1 2.81Å; G374-T376 PolarHBondContact O-N 3.46Å; T376-T378 VanDerWaalsContact C-N 3.34Å; T376-C379 VanDerWaalsContact O-CB 3.28Å; T376-C379 WeakPolarHBondContact O-CB 3.33Å; T376-C379 PolarHBondContact O-N 3.39Å; T376-C380 PolarHBondContact O-N 3Å
377A90Very high93Very high22 Ų2235.4 Ų35.418%0.18220%0.204CC..Hα-helixtrans-66-38.1173.700000111.4G373 G374 D375 C379 C380 A381 V392G373-A377 WeakPolarHBondContact O-CB 3.34Å; G373-A377 PolarHBondContact O-N 2.87Å; G373-A377 VanDerWaalsContact O-N 3.16Å; G374-A377 PolarHBondContact O-N 2.95Å; D375-A377 VanDerWaalsContact C-N 3.34Å; D375-A377 PolarHBondContact O-N 2.79Å; A377-C379 VanDerWaalsContact C-N 3.29Å; A377-C379 PolarHBondContact O-N 3.27Å; A377-C380 WeakPolarHBondContact O-CB 3.34Å; A377-C380 PolarHBondContact O-N 3.34Å; A377-C380 VanDerWaalsContact O-N 3.16Å; A377-A381 PolarHBondContact O-N 3.25Å; A377-A381 VanDerWaalsContact O-N 3.08Å; A377-V392 HydrophobicContact CB-CG1 3.74Å
378T89.5Confident92.9Very high73 Ų7339.6 Ų39.645%0.44822%0.222SC..Hα-helixtrans-62.3-35.9171.9-560000111.7F343 G374 D375 T376 C380 A381 K382F343-T378 HydrophobicContact CE2-CG2 4.04Å; F343-T378 HydrophobicContact CZ-CG2 3.95Å; G374-T378 PolarHBondContact O-N 2.9Å; G374-T378 PolarHBondContact O-OG1 3.03Å; G374-T378 VanDerWaalsContact O-OG1 3.06Å; D375-T378 CarbonylContact O-C 3.6Å; D375-T378 WeakPolarHBondContact O-CB 3.42Å; D375-T378 PolarHBondContact O-N 3.07Å; T376-T378 VanDerWaalsContact C-N 3.34Å; T378-C380 VanDerWaalsContact C-N 3.35Å; T378-C380 PolarHBondContact O-N 3.26Å; T378-A381 PolarHBondContact O-N 3.39Å; T378-K382 WeakPolarHBondContact O-CB 3.42Å; T378-K382 PolarHBondContact O-N 2.88Å
379C93.8Very high92.9Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-59.9-44.3171.9-62.50000111.5F343 M356 D375 T376 A377 A381 K382 W383F343-C379 HydrophobicContact CD2-CB 4.38Å; F343-C379 WeakPolarHBondContact CD2-SG 3.3Å; F343-C379 VanDerWaalsContact CE2-SG 3.58Å; F343-C379 WeakPolarHBondContact CG-SG 3.48Å; M356-C379 HydrophobicContact CE-CB 4.12Å; D375-C379 PolarHBondContact O-N 3.27Å; D375-C379 PolarHBondContact O-SG 3.01Å; T376-C379 VanDerWaalsContact O-CB 3.28Å; T376-C379 WeakPolarHBondContact O-CB 3.33Å; T376-C379 PolarHBondContact O-N 3.39Å; A377-C379 VanDerWaalsContact C-N 3.29Å; A377-C379 PolarHBondContact O-N 3.27Å; C379-A381 VanDerWaalsContact C-N 3.34Å; C379-A381 PolarHBondContact O-N 3.14Å; C379-K382 PolarHBondContact O-N 3.15Å; C379-W383 HydrophobicContact CB-CE3 4.06Å; C379-W383 HydrophobicContact CB-CH2 4.27Å; C379-W383 HydrophobicContact CB-CZ3 3.67Å; C379-W383 VanDerWaalsContact O-CE3 3.24Å; C379-W383 PolarHBondContact O-N 3.37Å
380C93.6Very high92.8Very high0 Ų039.7 Ų39.70%023%0.225CC..Hα-helixtrans-59.7-46176-63.30000111.7M356 T376 A377 T378 W383 N384 T385 E386 V392M356-C380 HydrophobicContact CE-CB 4.28Å; M356-C380 WeakPolarHBondContact CE-SG 3.4Å; T376-C380 PolarHBondContact O-N 3Å; A377-C380 WeakPolarHBondContact O-CB 3.34Å; A377-C380 PolarHBondContact O-N 3.34Å; A377-C380 VanDerWaalsContact O-N 3.16Å; T378-C380 VanDerWaalsContact C-N 3.35Å; T378-C380 PolarHBondContact O-N 3.26Å; C380-W383 CarbonylContact O-C 3.55Å; C380-W383 PolarHBondContact O-N 2.92Å; C380-N384 WeakPolarHBondContact O-CA 3.36Å; C380-N384 PolarHBondContact O-N 2.96Å; C380-T385 VanDerWaalsContact CA-OG1 3.31Å; C380-T385 WeakPolarHBondContact CA-OG1 3.41Å; C380-T385 PolarHBondContact O-N 2.96Å; C380-E386 HydrophobicContact CB-CG 3.91Å; C380-V392 HydrophobicContact CB-CG2 4.22Å
381A90.2Very high92.7Very high34 Ų3440 Ų4028%0.28123%0.226SC..Hα-helixtrans-64.8-41.6178.200000113.2A377 T378 C379 W383 N384 E386A377-A381 PolarHBondContact O-N 3.25Å; A377-A381 VanDerWaalsContact O-N 3.08Å; T378-A381 PolarHBondContact O-N 3.39Å; C379-A381 VanDerWaalsContact C-N 3.34Å; C379-A381 PolarHBondContact O-N 3.14Å; A381-W383 PolarHBondContact O-N 3.11Å; A381-N384 PolarHBondContact O-N 3.45Å; A381-E386 VanDerWaalsContact CA-OE1 3.23Å; A381-E386 WeakPolarHBondContact CA-OE1 3.48Å; A381-E386 WeakPolarHBondContact CB-OE1 3.38Å
382K92.6Very high92.6Very high79 Ų7941 Ų4134%0.34323%0.232SC..Hα-helixtrans-58.6-32.2177.1-175174.8176.8177.40111.6F343 E344 D346 T378 C379F343-K382 HydrophobicContact CD2-CD 4.21Å; F343-K382 HydrophobicContact CE2-CD 4.39Å; F343-K382 PolarHBondContact O-NZ 2.97Å; E344-K382 PolarHBondContact O-NZ 3.47Å; D346-K382 IonicContact OD1-NZ 3.81Å; D346-K382 PolarHBondContact OD1-NZ 3.23Å; T378-K382 WeakPolarHBondContact O-CB 3.42Å; T378-K382 PolarHBondContact O-N 2.88Å; C379-K382 PolarHBondContact O-N 3.15Å
383W96.2Very high92.7Very high39 Ų3941.1 Ų41.115%0.14823%0.233CC..THydrogen-bonded Turntrans-115.212.9-175.1-56.4-43.7000114.9F343 A349 T352 K353 M356 C379 C380 A381 T385F343-W383 HydrophobicContact CB-CH2 4.32Å; A349-W383 HydrophobicContact CB-CZ2 4.34Å; T352-W383 HydrophobicContact CG2-CH2 3.59Å; T352-W383 HydrophobicContact CG2-CZ3 3.84Å; K353-W383 HydrophobicContact CB-CH2 3.85Å; K353-W383 HydrophobicContact CB-CZ2 3.8Å; K353-W383 HydrophobicContact CB-CZ3 4.25Å; K353-W383 HydrophobicContact CD-CB 4.39Å; K353-W383 HydrophobicContact CD-CD2 3.52Å; K353-W383 HydrophobicContact CD-CE3 3.81Å; K353-W383 HydrophobicContact CD-CG 3.77Å; K353-W383 HydrophobicContact CD-CZ2 4.27Å; K353-W383 HydrophobicContact CD-CZ3 4.28Å; K353-W383 HydrophobicContact CG-CZ2 4.49Å; M356-W383 HydrophobicContact CB-CE3 4.1Å; M356-W383 HydrophobicContact CB-CZ3 4.12Å; M356-W383 HydrophobicContact CE-CE3 4.27Å; M356-W383 HydrophobicContact CE-CZ3 4.46Å; M356-W383 HydrophobicContact CG-CE3 4.1Å; C379-W383 HydrophobicContact CB-CE3 4.06Å; C379-W383 HydrophobicContact CB-CH2 4.27Å; C379-W383 HydrophobicContact CB-CZ3 3.67Å; C379-W383 VanDerWaalsContact O-CE3 3.24Å; C379-W383 PolarHBondContact O-N 3.37Å; C380-W383 CarbonylContact O-C 3.55Å; C380-W383 PolarHBondContact O-N 2.92Å; A381-W383 PolarHBondContact O-N 3.11Å; W383-T385 HydrophobicContact CB-CG2 4.21Å; W383-T385 WeakPolarHBondContact O-CG2 3.28Å; W383-T385 PolarHBondContact O-N 3.49Å
384N95.6Very high92.6Very high110 Ų11042.5 Ų42.559%0.58824%0.24SC*.THydrogen-bonded Turntrans49.556.8178.1-51.5102.5000111.8C380 A381 E386 K388C380-N384 WeakPolarHBondContact O-CA 3.36Å; C380-N384 PolarHBondContact O-N 2.96Å; A381-N384 PolarHBondContact O-N 3.45Å; N384-E386 WeakPolarHBondContact CA-OE2 3.47Å; N384-K388 WeakPolarHBondContact O-CE 3.33Å; N384-K388 PolarHBondContact O-NZ 3.21Å
385T96.6Very high92.4Very high3 Ų340.5 Ų40.52%0.01822%0.219CC..  trans-120.47.2-18064.80000113.6M356 V360 C380 W383 D387 K388 V389M356-T385 HydrophobicContact CG-CG2 3.96Å; M356-T385 HydrophobicContact SD-CG2 4.38Å; M356-T385 PolarHBondContact SD-OG1 2.76Å; V360-T385 HydrophobicContact CG2-CG2 4.14Å; C380-T385 VanDerWaalsContact CA-OG1 3.31Å; C380-T385 WeakPolarHBondContact CA-OG1 3.41Å; C380-T385 PolarHBondContact O-N 2.96Å; W383-T385 HydrophobicContact CB-CG2 4.21Å; W383-T385 WeakPolarHBondContact O-CG2 3.28Å; W383-T385 PolarHBondContact O-N 3.49Å; T385-D387 PolarHBondContact O-N 3.42Å; T385-K388 HydrophobicContact CG2-CD 4.25Å; T385-K388 PolarHBondContact O-N 2.91Å; T385-V389 PolarHBondContact O-N 3.24Å
386E92.4Very high92.1Very high57 Ų5737.1 Ų37.127%0.26621%0.206SC..THydrogen-bonded Turntrans-59.4-32.8-179.5-58.798.7125.600113.3C380 A381 N384 V392C380-E386 HydrophobicContact CB-CG 3.91Å; A381-E386 VanDerWaalsContact CA-OE1 3.23Å; A381-E386 WeakPolarHBondContact CA-OE1 3.48Å; A381-E386 WeakPolarHBondContact CB-OE1 3.38Å; N384-E386 WeakPolarHBondContact CA-OE2 3.47Å; E386-V392 HydrophobicContact CB-CG2 4.26Å; E386-V392 HydrophobicContact CG-CG2 4.46Å
387D93.4Very high91.7Very high134 Ų13438.8 Ų38.872%0.71722%0.224SC*.THydrogen-bonded Turntrans-88.6-7.5176.966.4-39.6000113.4T385T385-D387 PolarHBondContact O-N 3.42Å
388K97.6Very high91.8Very high97 Ų9737.8 Ų37.842%0.42222%0.215SC..THydrogen-bonded Turntrans-100.1-7.8-176.9-61.6177.6-172.1148.90113.7V360 T363 N384 T385V360-K388 HydrophobicContact CB-CB 4.44Å; V360-K388 HydrophobicContact CG1-CB 3.85Å; V360-K388 HydrophobicContact CG1-CD 4.26Å; V360-K388 HydrophobicContact CG2-CB 3.79Å; T363-K388 WeakPolarHBondContact CB-O 3.37Å; N384-K388 WeakPolarHBondContact O-CE 3.33Å; N384-K388 PolarHBondContact O-NZ 3.21Å; T385-K388 HydrophobicContact CG2-CD 4.25Å; T385-K388 PolarHBondContact O-N 2.91Å
389V97.8Very high91.8Very high10 Ų1034.3 Ų34.36%0.06119%0.194CC..SBendtrans-110.9161.9172.8-61.20000109.9M356 I359 V360 I371 T385 V392M356-V389 HydrophobicContact SD-CG1 4.46Å; I359-V389 HydrophobicContact CG2-CG1 4.21Å; V360-V389 HydrophobicContact CG2-CG1 4.18Å; I371-V389 HydrophobicContact CD1-CG1 4.5Å; I371-V389 HydrophobicContact CG1-CB 4.28Å; I371-V389 HydrophobicContact CG1-CG1 4.32Å; I371-V389 HydrophobicContact CG1-CG2 3.92Å; T385-V389 PolarHBondContact O-N 3.24Å; V389-V392 HydrophobicContact CG2-CG2 3.42Å; V389-V392 VanDerWaalsContact CG2-CG2 3.42Å
390S97Very high91.6Very high26 Ų2636 Ų3618%0.18220%0.203CC..SBendtrans-68.9-39.8-176.4-42.80000112Y196 T369Y196-S390 VanDerWaalsContact CZ-O 3.26Å; Y196-S390 PolarHBondContact OH-O 2.81Å; T369-S390 PolarHBondContact N-OG 3.4Å; T369-S390 VanDerWaalsContact O-CB 3.24Å; T369-S390 WeakPolarHBondContact O-CB 3.42Å; T369-S390 PolarHBondContact O-N 3.29Å; T369-S390 PolarHBondContact OG1-N 3.47Å; T369-S390 PolarHBondContact OG1-OG 2.8Å
391H95.3Very high91.4Very high6 Ų638.5 Ų38.53%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-152.6131.1179.6-174.753.5000112.4K192 E193 Y196 T369 I371K192-H391 WeakPolarHBondContact CE-ND1 3.41Å; E193-H391 VanDerWaalsContact CD-NE2 3.3Å; E193-H391 IonicContact OE1-CE1 3.42Å; E193-H391 IonicContact OE1-NE2 3.15Å; E193-H391 IonicContact OE2-CD2 3.75Å; E193-H391 IonicContact OE2-CE1 3.76Å; E193-H391 IonicContact OE2-NE2 3.62Å; E193-H391 PolarHBondContact OE2-NE2 3.36Å; Y196-H391 HydrophobicContact CD1-CB 3.7Å; Y196-H391 HydrophobicContact CD2-CB 3.64Å; Y196-H391 AromaticContact CD2-CG 3.66Å; Y196-H391 AromaticContact CD2-ND1 3.97Å; Y196-H391 HydrophobicContact CE1-CB 3.94Å; Y196-H391 HydrophobicContact CE2-CB 3.91Å; Y196-H391 HydrophobicContact CG-CB 3.54Å; Y196-H391 AromaticContact CG-CG 3.79Å; T369-H391 PolarHBondContact O-N 3.29Å; I371-H391 PolarHBondContact N-O 3.43Å
392V93.1Very high91.5Very high22 Ų2237.4 Ų37.413%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-108.2113.5164.9-1760000107.8I371 A377 C380 E386 V389 T394I371-V392 HydrophobicContact CB-CG1 4.47Å; I371-V392 HydrophobicContact CB-CG2 4.32Å; I371-V392 HydrophobicContact CG1-CG2 4.36Å; A377-V392 HydrophobicContact CB-CG1 3.74Å; C380-V392 HydrophobicContact CB-CG2 4.22Å; E386-V392 HydrophobicContact CB-CG2 4.26Å; E386-V392 HydrophobicContact CG-CG2 4.46Å; V389-V392 HydrophobicContact CG2-CG2 3.42Å; V389-V392 VanDerWaalsContact CG2-CG2 3.42Å; V392-T394 PolarHBondContact O-N 3.07Å
393S91.1Very high91.4Very high3 Ų333.7 Ų33.72%0.02119%0.188CC..  trans-66130177.1169.40000110.6E193 I371 G395 S399E193-S393 WeakPolarHBondContact OE1-CA 3.24Å; E193-S393 PolarHBondContact OE2-OG 3.07Å; I371-S393 VanDerWaalsContact O-CB 3.26Å; I371-S393 WeakPolarHBondContact O-CB 3.46Å; I371-S393 PolarHBondContact O-N 2.77Å; S393-G395 WeakPolarHBondContact OG-CA 3.28Å; S393-G395 PolarHBondContact OG-N 3.15Å; S393-S399 VanDerWaalsContact OG-CB 3.31Å; S393-S399 WeakPolarHBondContact OG-CB 3.4Å; S393-S399 PolarHBondContact OG-OG 3.16Å
394T82.8Confident91.1Very high39 Ų3932.7 Ų32.724%0.23919%0.185CC..SBendtrans-82.2-6.4168.262.70000112R39 L189 E193 V392 G396R39-T394 PolarHBondContact NH1-O 3.22Å; R39-T394 VanDerWaalsContact NH1-O 3.12Å; L189-T394 HydrophobicContact CD1-CG2 4.18Å; E193-T394 PolarHBondContact OE1-N 2.67Å; E193-T394 PolarHBondContact OE1-OG1 3.11Å; V392-T394 PolarHBondContact O-N 3.07Å; T394-G396 PolarHBondContact O-N 2.83Å
395G80.3Confident90.8Very high2 Ų229.8 Ų29.82%0.02118%0.181CC..  trans-77.8-16.9-164.700000116.5F166 S393 G397 A398F166-G395 VanDerWaalsContact CD1-CA 3.48Å; S393-G395 WeakPolarHBondContact OG-CA 3.28Å; S393-G395 PolarHBondContact OG-N 3.15Å; G395-G397 PolarHBondContact O-N 3.46Å; G395-A398 WeakPolarHBondContact O-CA 3.03Å; G395-A398 VanDerWaalsContact O-CB 3.29Å; G395-A398 WeakPolarHBondContact O-CB 3.49Å; G395-A398 PolarHBondContact O-N 3.41Å
396G83.4Confident90.6Very high22 Ų2234.2 Ų34.223%0.22720%0.2CC..THydrogen-bonded Turntrans44.5-111.2-178.600000112.8T394 A398 S399 L400T394-G396 PolarHBondContact O-N 2.83Å; G396-A398 VanDerWaalsContact C-N 3.35Å; G396-A398 PolarHBondContact O-N 3.3Å; G396-S399 PolarHBondContact N-OG 2.9Å; G396-S399 PolarHBondContact O-N 2.82Å; G396-S399 PolarHBondContact O-OG 3.41Å; G396-L400 PolarHBondContact O-N 2.94Å
397G84.1Confident90.6Very high37 Ų3736.5 Ų36.538%0.38121%0.213SC..Hα-helixtrans-60.6-34.4175.700000114.8G395 S399 L400 E401G395-G397 PolarHBondContact O-N 3.46Å; G397-S399 PolarHBondContact O-N 3.43Å; G397-L400 WeakPolarHBondContact O-CB 3.42Å; G397-L400 PolarHBondContact O-N 2.84Å; G397-E401 PolarHBondContact O-N 2.7Å
398A91.1Very high90.7Very high0 Ų030.2 Ų30.20%018%0.179CC..Hα-helixtrans-63.3-43.6176.300000112.3F166 H170 G395 G396 L400 E401 L402 L408F166-A398 HydrophobicContact CD1-CB 4.44Å; F166-A398 HydrophobicContact CE1-CB 4.22Å; F166-A398 HydrophobicContact CZ-CB 4.4Å; F166-A398 WeakPolarHBondContact O-CB 3.48Å; H170-A398 HydrophobicContact CB-CB 4.22Å; G395-A398 WeakPolarHBondContact O-CA 3.03Å; G395-A398 VanDerWaalsContact O-CB 3.29Å; G395-A398 WeakPolarHBondContact O-CB 3.49Å; G395-A398 PolarHBondContact O-N 3.41Å; G396-A398 VanDerWaalsContact C-N 3.35Å; G396-A398 PolarHBondContact O-N 3.3Å; A398-L400 VanDerWaalsContact C-N 3.29Å; A398-L400 PolarHBondContact O-N 2.96Å; A398-E401 PolarHBondContact O-N 3.2Å; A398-L402 VanDerWaalsContact O-CB 3.31Å; A398-L402 WeakPolarHBondContact O-CB 3.47Å; A398-L402 PolarHBondContact O-N 2.92Å; A398-L408 HydrophobicContact CB-CD1 4.42Å
399S90.5Very high90.7Very high0 Ų027.4 Ų27.40%017%0.171CC..Hα-helixtrans-64.1-36.1174.445.60000112.4S393 G396 G397 L403S393-S399 VanDerWaalsContact OG-CB 3.31Å; S393-S399 WeakPolarHBondContact OG-CB 3.4Å; S393-S399 PolarHBondContact OG-OG 3.16Å; G396-S399 PolarHBondContact N-OG 2.9Å; G396-S399 PolarHBondContact O-N 2.82Å; G396-S399 PolarHBondContact O-OG 3.41Å; G397-S399 PolarHBondContact O-N 3.43Å; S399-L403 WeakPolarHBondContact O-CB 2.88Å; S399-L403 WeakPolarHBondContact O-CG 3.33Å; S399-L403 PolarHBondContact O-N 3.47Å
400L88Confident90.7Very high37 Ų3726.9 Ų26.919%0.19417%0.168CC..Hα-helixtrans-64.7-52.5176.7177.662.2000110.9L223 G396 G397 A398 L402 L403 E404L223-L400 HydrophobicContact CB-CD1 4.23Å; L223-L400 HydrophobicContact CD1-CD1 4.29Å; L223-L400 HydrophobicContact CD2-CD1 3.67Å; L223-L400 HydrophobicContact CG-CD1 4.28Å; G396-L400 PolarHBondContact O-N 2.94Å; G397-L400 WeakPolarHBondContact O-CB 3.42Å; G397-L400 PolarHBondContact O-N 2.84Å; A398-L400 VanDerWaalsContact C-N 3.29Å; A398-L400 PolarHBondContact O-N 2.96Å; L400-L402 PolarHBondContact O-N 3.02Å; L400-L403 CarbonylContact O-C 3.47Å; L400-L403 PolarHBondContact O-N 3.41Å; L400-L403 VanDerWaalsContact O-N 3.11Å; L400-E404 WeakPolarHBondContact O-CG 3.47Å; L400-E404 PolarHBondContact O-N 3.4Å
401E91.1Very high90.7Very high52 Ų5225.7 Ų25.724%0.24316%0.16CC..Hα-helixtrans-60-36.5178.8-73.5-165.9-149.200112.3H170 G397 A398 E404 G405 K406 L408H170-E401 HydrophobicContact CB-CB 4.43Å; H170-E401 HydrophobicContact CB-CG 4.48Å; H170-E401 IonicContact CD2-OE1 4Å; H170-E401 PolarHBondContact CD2-OE1 3.27Å; H170-E401 VanDerWaalsContact CD2-OE1 3.29Å; H170-E401 IonicContact CG-OE1 2.69Å; G397-E401 PolarHBondContact O-N 2.7Å; A398-E401 PolarHBondContact O-N 3.2Å; E401-E404 WeakPolarHBondContact O-CB 3.5Å; E401-E404 PolarHBondContact O-N 3.24Å; E401-G405 PolarHBondContact O-N 3.06Å; E401-K406 HydrophobicContact CB-CB 4.31Å; E401-K406 HydrophobicContact CB-CD 3.88Å; E401-K406 HydrophobicContact CG-CD 3.88Å; E401-K406 VanDerWaalsContact O-CB 3.3Å; E401-K406 WeakPolarHBondContact O-CB 3.33Å; E401-K406 PolarHBondContact O-N 3.39Å; E401-L408 HydrophobicContact CB-CD2 4.04Å
402L91.9Very high90.8Very high10 Ų1029.8 Ų29.85%0.05218%0.178CC..Hα-helixtrans-65.8-43.8175.4-17360.1000111.9L3 F166 F197 L201 A398 L400 E404 G405 L408L3-L402 HydrophobicContact CD1-CD1 4.24Å; L3-L402 HydrophobicContact CD1-CD2 4.17Å; L3-L402 HydrophobicContact CD2-CD1 3.97Å; L3-L402 HydrophobicContact CD2-CD2 4.48Å; F166-L402 HydrophobicContact CE2-CD2 4.15Å; F166-L402 HydrophobicContact CZ-CD2 3.89Å; F197-L402 HydrophobicContact CB-CD2 3.57Å; F197-L402 HydrophobicContact CD1-CD2 4.17Å; F197-L402 HydrophobicContact CD2-CD2 3.77Å; F197-L402 HydrophobicContact CG-CD2 3.57Å; L201-L402 HydrophobicContact CD1-CD1 4.17Å; L201-L402 HydrophobicContact CD1-CD2 4.4Å; L201-L402 HydrophobicContact CD1-CG 3.74Å; A398-L402 VanDerWaalsContact O-CB 3.31Å; A398-L402 WeakPolarHBondContact O-CB 3.47Å; A398-L402 PolarHBondContact O-N 2.92Å; L400-L402 PolarHBondContact O-N 3.02Å; L402-E404 PolarHBondContact O-N 3.46Å; L402-G405 PolarHBondContact O-N 2.94Å; L402-L408 HydrophobicContact CB-CD1 4.11Å; L402-L408 HydrophobicContact CB-CD2 4.34Å; L402-L408 HydrophobicContact CB-CG 4.33Å; L402-L408 HydrophobicContact CD1-CD1 4.32Å; L402-L408 HydrophobicContact CD1-CG 4.19Å; L402-L408 HydrophobicContact CD2-CD1 4.28Å; L402-L408 HydrophobicContact CG-CD1 4.47Å
403L90.1Very high91Very high1 Ų129.9 Ų29.91%0.00518%0.182CC..Hα-helixtrans-68.8-21.3174.9-68.7171.1000113F197 L201 L223 N226 M227 V335 S399 L400 G405F197-L403 HydrophobicContact CD1-CD2 4.03Å; F197-L403 HydrophobicContact CD1-CG 4.38Å; F197-L403 HydrophobicContact CE1-CD1 4.18Å; F197-L403 HydrophobicContact CE1-CD2 3.89Å; F197-L403 HydrophobicContact CE1-CG 3.9Å; L201-L403 HydrophobicContact CD2-CD2 4.22Å; L223-L403 HydrophobicContact CD1-CB 3.32Å; L223-L403 HydrophobicContact CD1-CD1 4.33Å; L223-L403 HydrophobicContact CD1-CG 4.44Å; N226-L403 PolarHBondContact ND2-O 3.15Å; M227-L403 HydrophobicContact SD-CD2 4.09Å; V335-L403 HydrophobicContact CG1-CD1 3.83Å; V335-L403 HydrophobicContact CG1-CD2 4.01Å; S399-L403 WeakPolarHBondContact O-CB 2.88Å; S399-L403 WeakPolarHBondContact O-CG 3.33Å; S399-L403 PolarHBondContact O-N 3.47Å; L400-L403 CarbonylContact O-C 3.47Å; L400-L403 PolarHBondContact O-N 3.41Å; L400-L403 VanDerWaalsContact O-N 3.11Å; L403-G405 PolarHBondContact O-N 3.18Å
404E90.8Very high91.3Very high18 Ų1830 Ų308%0.08418%0.182CC..THydrogen-bonded Turntrans-75.1-7.8169.2-73.1174171.800113.2Q222 L223 L400 E401 L402 K406Q222-E404 HydrophobicContact CB-CG 4.11Å; Q222-E404 HydrophobicContact CG-CB 3.87Å; Q222-E404 HydrophobicContact CG-CG 4.03Å; L223-E404 HydrophobicContact CB-CG 4.03Å; L400-E404 WeakPolarHBondContact O-CG 3.47Å; L400-E404 PolarHBondContact O-N 3.4Å; E401-E404 WeakPolarHBondContact O-CB 3.5Å; E401-E404 PolarHBondContact O-N 3.24Å; L402-E404 PolarHBondContact O-N 3.46Å; E404-K406 HydrophobicContact CB-CG 4.48Å; E404-K406 VanDerWaalsContact OE2-CE 3.24Å; E404-K406 WeakPolarHBondContact OE2-CE 3.43Å; E404-K406 IonicContact OE2-NZ 2.67Å; E404-K406 PolarHBondContact OE2-NZ 3.33Å
405G88.1Confident92Very high49 Ų4929.4 Ų29.451%0.50518%0.18SC..THydrogen-bonded Turntrans87.211.9-178.700000114.1N226 E401 L402 L403N226-G405 PolarHBondContact ND2-N 3.48Å; E401-G405 PolarHBondContact O-N 3.06Å; L402-G405 PolarHBondContact O-N 2.94Å; L403-G405 PolarHBondContact O-N 3.18Å
406K92.2Very high92.7Very high97 Ų9734.5 Ų34.542%0.42221%0.206SC..  trans-76.1151.1177.5-64.6171.1176158.40111.2E401 E404E401-K406 HydrophobicContact CB-CB 4.31Å; E401-K406 HydrophobicContact CB-CD 3.88Å; E401-K406 HydrophobicContact CG-CD 3.88Å; E401-K406 VanDerWaalsContact O-CB 3.3Å; E401-K406 WeakPolarHBondContact O-CB 3.33Å; E401-K406 PolarHBondContact O-N 3.39Å; E404-K406 HydrophobicContact CB-CG 4.48Å; E404-K406 VanDerWaalsContact OE2-CE 3.24Å; E404-K406 WeakPolarHBondContact OE2-CE 3.43Å; E404-K406 IonicContact OE2-NZ 2.67Å; E404-K406 PolarHBondContact OE2-NZ 3.33Å
407I92.4Very high92.7Very high105 Ų10539.9 Ų39.954%0.53823%0.227SC..  trans-78127.1168.1-72.7167.7000108.2M1 P409 E412M1-I407 HydrophobicContact CE-CB 4.3Å; M1-I407 HydrophobicContact CE-CG1 4.36Å; M1-I407 HydrophobicContact CE-CG2 3.37Å; I407-P409 WeakPolarHBondContact O-CD 3.27Å; I407-E412 HydrophobicContact CG2-CB 4.31Å
408L96.3Very high93.1Very high2 Ų240.1 Ų40.11%0.0122%0.22CC..  trans-85.2114.5173.3-56.9-170.4000109.5F166 A169 H170 A398 E401 L402 G410 V411 E412F166-L408 HydrophobicContact CD2-CD1 4.38Å; F166-L408 HydrophobicContact CE2-CD1 3.58Å; F166-L408 HydrophobicContact CZ-CD1 4.05Å; A169-L408 HydrophobicContact CB-CB 4.4Å; A169-L408 HydrophobicContact CB-CD1 4.33Å; A169-L408 CarbonylContact O-C 3.57Å; H170-L408 HydrophobicContact CB-CD2 3.82Å; A398-L408 HydrophobicContact CB-CD1 4.42Å; E401-L408 HydrophobicContact CB-CD2 4.04Å; L402-L408 HydrophobicContact CB-CD1 4.11Å; L402-L408 HydrophobicContact CB-CD2 4.34Å; L402-L408 HydrophobicContact CB-CG 4.33Å; L402-L408 HydrophobicContact CD1-CD1 4.32Å; L402-L408 HydrophobicContact CD1-CG 4.19Å; L402-L408 HydrophobicContact CD2-CD1 4.28Å; L402-L408 HydrophobicContact CG-CD1 4.47Å; L408-G410 VanDerWaalsContact C-N 3.29Å; L408-G410 PolarHBondContact O-N 3.13Å; L408-V411 HydrophobicContact CB-CB 4.03Å; L408-V411 HydrophobicContact CB-CG2 3.74Å; L408-V411 HydrophobicContact CD1-CG2 3.92Å; L408-V411 HydrophobicContact CG-CG2 4.4Å; L408-V411 PolarHBondContact O-N 3.11Å; L408-E412 PolarHBondContact O-N 2.92Å
409P97.6Very high93.2Very high37 Ų3742.2 Ų42.224%0.2423%0.231CC..Hα-helixtrans-55-40.8-176.8-27.635.4000114A169 H170 A172 V177 I407 V411 E412 A413A169-P409 VanDerWaalsContact O-CD 3.29Å; A169-P409 WeakPolarHBondContact O-CD 3.34Å; H170-P409 WeakPolarHBondContact O-CD 3.48Å; A172-P409 HydrophobicContact CB-CB 4.05Å; A172-P409 HydrophobicContact CB-CG 4.16Å; V177-P409 HydrophobicContact CG1-CB 3.8Å; I407-P409 WeakPolarHBondContact O-CD 3.27Å; P409-V411 VanDerWaalsContact C-N 3.3Å; P409-V411 PolarHBondContact O-N 3.01Å; P409-E412 PolarHBondContact O-N 3.28Å; P409-A413 WeakPolarHBondContact O-CB 3.42Å; P409-A413 PolarHBondContact O-N 3.33Å
410G97.6Very high93.4Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-71.1-22.4179.100000114.2A169 L408A169-G410 PolarHBondContact O-N 2.82Å; L408-G410 VanDerWaalsContact C-N 3.29Å; L408-G410 PolarHBondContact O-N 3.13Å
411V97.1Very high93.7Very high1 Ų144.9 Ų44.91%0.00625%0.247CC..Hα-helixtrans-80.2-39.3169.8-179.60000109.8M1 L3 K6 A169 M190 L194 L408 P409 A413 L414M1-V411 HydrophobicContact SD-CB 4.38Å; M1-V411 HydrophobicContact SD-CG1 3.8Å; L3-V411 HydrophobicContact CD2-CG1 4.39Å; K6-V411 WeakPolarHBondContact CE-O 3.45Å; K6-V411 HydrophobicContact CG-CG1 4.22Å; A169-V411 HydrophobicContact CB-CG2 4.03Å; M190-V411 HydrophobicContact SD-CG2 4.31Å; L194-V411 HydrophobicContact CD1-CG1 4.39Å; L194-V411 HydrophobicContact CD2-CG1 3.7Å; L194-V411 HydrophobicContact CD2-CG2 3.96Å; L408-V411 HydrophobicContact CB-CB 4.03Å; L408-V411 HydrophobicContact CB-CG2 3.74Å; L408-V411 HydrophobicContact CD1-CG2 3.92Å; L408-V411 HydrophobicContact CG-CG2 4.4Å; L408-V411 PolarHBondContact O-N 3.11Å; P409-V411 VanDerWaalsContact C-N 3.3Å; P409-V411 PolarHBondContact O-N 3.01Å; V411-A413 VanDerWaalsContact C-N 3.28Å; V411-A413 PolarHBondContact O-N 3.31Å; V411-L414 WeakPolarHBondContact O-CB 3.19Å; V411-L414 PolarHBondContact O-N 3.5Å
412E97.3Very high93.9Very high91 Ų9144.5 Ų44.543%0.42525%0.247SC..Hα-helixtrans-63-38.8178.9-170.759.8142.500112.2M1 K6 I407 L408 P409 L414M1-E412 HydrophobicContact CE-CB 3.34Å; M1-E412 VanDerWaalsContact CE-CD 3.48Å; M1-E412 HydrophobicContact CE-CG 3.87Å; M1-E412 WeakPolarHBondContact CE-OE2 3.46Å; M1-E412 WeakPolarHBondContact CG-OE2 3.44Å; M1-E412 HydrophobicContact SD-CB 4.32Å; K6-E412 PolarHBondContact NZ-O 2.9Å; K6-E412 IonicContact NZ-OE2 3.11Å; K6-E412 PolarHBondContact NZ-OE2 2.96Å; I407-E412 HydrophobicContact CG2-CB 4.31Å; L408-E412 PolarHBondContact O-N 2.92Å; P409-E412 PolarHBondContact O-N 3.28Å; E412-L414 PolarHBondContact O-N 3.32Å; E412-L414 VanDerWaalsContact O-N 3.13Å
413A97.5Very high94Very high25 Ų2546.8 Ų46.821%0.20726%0.26CS..THydrogen-bonded Turntrans-63.7-14.4178.800000114V177 K184 P409 V411V177-A413 HydrophobicContact CB-CB 4.34Å; V177-A413 HydrophobicContact CG1-CB 4.26Å; K184-A413 VanDerWaalsContact CD-O 3.24Å; K184-A413 WeakPolarHBondContact CD-O 3.19Å; K184-A413 WeakPolarHBondContact CE-O 3.42Å; P409-A413 WeakPolarHBondContact O-CB 3.42Å; P409-A413 PolarHBondContact O-N 3.33Å; V411-A413 VanDerWaalsContact C-N 3.28Å; V411-A413 PolarHBondContact O-N 3.31Å
414L98Very high94.3Very high6 Ų650.1 Ų50.13%0.03128%0.278CS..SBendtrans-69.7143.2174-64.2177.7000111.3K6 N163 K184 A185 M190 L194 V411 E412K6-L414 HydrophobicContact CB-CB 4.29Å; K6-L414 HydrophobicContact CB-CD1 4.24Å; K6-L414 HydrophobicContact CD-CB 4.02Å; K6-L414 HydrophobicContact CG-CB 4.31Å; K6-L414 HydrophobicContact CG-CD1 4.44Å; K6-L414 PolarHBondContact NZ-O 2.93Å; N163-L414 HydrophobicContact CB-CD2 3.93Å; K184-L414 HydrophobicContact CB-CD2 4.45Å; A185-L414 WeakPolarHBondContact O-CD2 3.41Å; M190-L414 HydrophobicContact CG-CD1 4.43Å; L194-L414 HydrophobicContact CD1-CD1 4.41Å; V411-L414 WeakPolarHBondContact O-CB 3.19Å; V411-L414 PolarHBondContact O-N 3.5Å; E412-L414 PolarHBondContact O-N 3.32Å; E412-L414 VanDerWaalsContact O-N 3.13Å
415S97.7Very high94.6Very high26 Ų2652.5 Ų52.518%0.18229%0.293CS..PPolyproline II helixtrans-60.1145.4172.1-59.80000109.8L7 P182 K184L7-S415 WeakPolarHBondContact CB-O 3.39Å; L7-S415 PolarHBondContact N-O 3.43Å; P182-S415 PolarHBondContact O-OG 3.39Å; K184-S415 PolarHBondContact N-OG 3.24Å; K184-S415 VanDerWaalsContact N-OG 3.09Å; K184-S415 PolarHBondContact O-N 3.32Å
416N94.3Very high95.1Very high108 Ų10852.8 Ų52.858%0.57828%0.276SS*.BIsolated β-bridgetrans-80.7156.9168.6-63.7-32.3000109.9K5 K6K5-N416 CarbonylContact O-C 3.53Å; K5-N416 VanDerWaalsContact O-CA 3.31Å; K5-N416 WeakPolarHBondContact O-CA 3.42Å; K6-N416 WeakPolarHBondContact CD-OD1 3.5Å; K6-N416 PolarHBondContact NZ-OD1 2.77Å
417M83.3Confident95.4Very high136 Ų13648.8 Ų48.867%0.6726%0.263SS*.  trans-75.50169.4-69.3-174.7-69.600112.8S4 K5 K6 K11S4-M417 VanDerWaalsContact O-CE 3.26Å; S4-M417 WeakPolarHBondContact O-CE 3.19Å; K5-M417 PolarHBondContact O-N 2.9Å; K6-M417 WeakPolarHBondContact O-CG 3.38Å; K11-M417 HydrophobicContact CD-CG 4.49Å; K11-M417 HydrophobicContact CD-SD 3.62Å; K11-M417 PolarHBondContact NZ-SD 2.99Å

Retrieved 417 of 417 residues in 386.4 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).