A0A087XHQ6_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087XHQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene RAB40C, Length 279 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
1M34.1Very low49.2Very low251 Ų251128.7 Ų128.7100%1.23677%0.773SS**  0126.70-78.5175.2161.700107.6
2G38Very low52.3Low77 Ų77125.8 Ų125.879%0.79475%0.75SS**  trans-65137-151.400000116.5Q4G2-Q4 PolarHBondContact O-N 3.3Å
3S37.6Very low55Low120 Ų120118.5 Ų118.584%0.83970%0.702SS**  trans-71.4110160.761.80000108.3G5S3-G5 PolarHBondContact O-N 2.99Å
4Q38.6Very low57.5Low194 Ų194114.4 Ų114.491%0.90767%0.674SS**  trans-59.2106.9164.2-71-165.82.400107.9G2 S6G2-Q4 PolarHBondContact O-N 3.3Å; Q4-S6 PolarHBondContact O-N 3.43Å
5G38.6Very low59.9Low65 Ų65107 Ų10767%0.6763%0.631SS**PPolyproline II helixtrans-62.3131167.700000108.2S3S3-G5 PolarHBondContact O-N 2.99Å
6S40.6Very low61.9Low107 Ų107102.3 Ų102.375%0.74860%0.6SS**PPolyproline II helixtrans-54.9133.7169.651.10000108.6Q4 V8Q4-S6 PolarHBondContact O-N 3.43Å; S6-V8 PolarHBondContact O-N 3.45Å
7P47.3Very low63.8Low121 Ų12196.2 Ų96.279%0.78657%0.565SS**PPolyproline II helixtrans-56.1129.5-178.422.3-31000109K9P7-K9 PolarHBondContact O-N 3.22Å; P7-K9 VanDerWaalsContact O-N 3.1Å
8V51.3Low65.4Low137 Ų13790.9 Ų90.983%0.8353%0.533SS*.PPolyproline II helixtrans-53.3119.7173.2179.20000106.7S6 S10S6-V8 PolarHBondContact O-N 3.45Å; V8-S10 PolarHBondContact O-N 3.36Å
9K56.1Low66.8Low186 Ų18686.1 Ų86.181%0.80951%0.505SS*.  trans-60.7109.8177.8-75.8-175.1177.6-177.50107.9P7 Y11P7-K9 PolarHBondContact O-N 3.22Å; P7-K9 VanDerWaalsContact O-N 3.1Å; K9-Y11 PolarHBondContact O-N 3.1Å
10S76.3Confident68Low86 Ų8681.8 Ų81.860%0.60148%0.48SS*.SBendtrans-75.6-2.7-178.954.60000113.6V8 R62V8-S10 PolarHBondContact O-N 3.36Å; S10-R62 WeakPolarHBondContact O-CD 3.09Å
11Y83.2Confident69.1Low72 Ų7278 Ų7828%0.28246%0.457SS..  trans-145.6151-179.360.4-91.2000111.7K9 Y13 L14 K64K9-Y11 PolarHBondContact O-N 3.1Å; Y11-Y13 VanDerWaalsContact CD2-O 3.28Å; Y11-Y13 WeakPolarHBondContact CD2-O 3.48Å; Y11-L14 HydrophobicContact CD2-CB 4.36Å; Y11-L14 HydrophobicContact CE2-CB 3.73Å; Y11-K64 HydrophobicContact CD1-CB 4.05Å; Y11-K64 HydrophobicContact CD1-CD 3.57Å; Y11-K64 HydrophobicContact CD1-CG 4.45Å; Y11-K64 HydrophobicContact CD2-CB 4.05Å; Y11-K64 HydrophobicContact CE1-CD 3.63Å; Y11-K64 HydrophobicContact CG-CB 3.71Å; Y11-K64 HydrophobicContact CG-CD 4.12Å
12D85.6Confident71.7Confident93 Ų9368.2 Ų68.250%0.49741%0.411SS..SBendtrans-82.7-40.1177-61.8-72.6000111.3R61 R62D12-R61 HydrophobicContact CB-CB 4.15Å; D12-R61 VanDerWaalsContact OD2-CA 3.29Å; D12-R61 WeakPolarHBondContact OD2-CA 3.45Å; D12-R61 WeakPolarHBondContact OD2-CB 3.5Å; D12-R62 PolarHBondContact N-O 2.78Å; D12-R62 PolarHBondContact OD2-N 3.21Å
13Y88.1Confident74Confident31 Ų3167.8 Ų67.812%0.12240%0.395CS..EExtended strand (participates in β ladder)trans-133.6146.6-176.5-58.4-50.3000112Y11 R61 R62 V63 K64 L175 M180Y11-Y13 VanDerWaalsContact CD2-O 3.28Å; Y11-Y13 WeakPolarHBondContact CD2-O 3.48Å; Y13-R61 PolarHBondContact OH-NH1 3.48Å; Y13-R62 PolarHBondContact N-O 3.47Å; Y13-V63 HydrophobicContact CD2-CG2 4.08Å; Y13-K64 PolarHBondContact O-N 3.46Å; Y13-L175 HydrophobicContact CD1-CD2 4.24Å; Y13-L175 HydrophobicContact CD2-CD1 3.85Å; Y13-L175 HydrophobicContact CD2-CD2 3.74Å; Y13-L175 HydrophobicContact CD2-CG 4.49Å; Y13-L175 HydrophobicContact CE2-CD1 4.19Å; Y13-L175 HydrophobicContact CE2-CD2 4.12Å; Y13-L175 HydrophobicContact CG-CD2 3.77Å; Y13-M180 HydrophobicContact CD1-CE 3.79Å; Y13-M180 HydrophobicContact CD1-SD 4.19Å; Y13-M180 HydrophobicContact CE1-CE 3.04Å; Y13-M180 HydrophobicContact CE1-SD 3.77Å; Y13-M180 HydrophobicContact CE2-SD 4.5Å; Y13-M180 VanDerWaalsContact CZ-CE 3.49Å; Y13-M180 WeakPolarHBondContact OH-CE 3.23Å
14L90.5Very high76.4Confident61 Ų6168 Ų6832%0.31939%0.387SS..EExtended strand (participates in β ladder)trans-117.1122.6170.8-175.765.3000107.9Y11 K64 E66Y11-L14 HydrophobicContact CD2-CB 4.36Å; Y11-L14 HydrophobicContact CE2-CB 3.73Å; L14-K64 CarbonylContact C-O 3.57Å; L14-K64 WeakPolarHBondContact CA-O 3.44Å; L14-K64 HydrophobicContact CD1-CB 3.88Å; L14-K64 HydrophobicContact CD1-CD 3.88Å; L14-K64 HydrophobicContact CD1-CG 3.76Å; L14-E66 HydrophobicContact CD1-CG 3.71Å; L14-E66 HydrophobicContact CG-CG 4.43Å
15L92.7Very high78.9Confident4 Ų458.8 Ų58.82%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-122.7130.9177.2-58.1-179.3000110.4F17 V63 K64 L65 E66 Q88 V174 L175L15-F17 HydrophobicContact CB-CD1 4.35Å; L15-F17 HydrophobicContact CB-CE1 3.75Å; L15-F17 HydrophobicContact CB-CZ 4.02Å; L15-F17 HydrophobicContact CD1-CE1 4.04Å; L15-F17 HydrophobicContact CD1-CZ 3.74Å; L15-F17 HydrophobicContact CG-CE1 4.49Å; L15-V63 HydrophobicContact CD1-CG1 3.67Å; L15-V63 HydrophobicContact CG-CG1 3.87Å; L15-K64 PolarHBondContact N-O 3.42Å; L15-L65 HydrophobicContact CB-CD2 3.87Å; L15-L65 HydrophobicContact CD1-CD2 4.2Å; L15-L65 HydrophobicContact CG-CD2 4.44Å; L15-L65 CarbonylContact O-C 3.54Å; L15-L65 WeakPolarHBondContact O-CA 3.42Å; L15-E66 PolarHBondContact O-N 3Å; L15-Q88 VanDerWaalsContact CA-OE1 3.3Å; L15-V174 HydrophobicContact CD1-CG1 4.33Å; L15-V174 HydrophobicContact CD2-CG1 3.82Å; L15-L175 HydrophobicContact CD1-CD1 4.45Å; L15-L175 HydrophobicContact CD1-CD2 4.36Å; L15-L175 HydrophobicContact CD1-CG 4.15Å; L15-L175 HydrophobicContact CD2-CD2 4Å
16K92.4Very high81.4Confident31 Ų3156 Ų5614%0.13532%0.315CS..EExtended strand (participates in β ladder)trans-95.7115.3173.3179.2177.7169.4-173.10110.5E66 Y83 R85 Q88 G89K16-E66 CarbonylContact C-O 3.59Å; K16-E66 WeakPolarHBondContact CA-O 3.22Å; K16-Y83 VanDerWaalsContact CE-O 3.27Å; K16-Y83 WeakPolarHBondContact CE-O 3.49Å; K16-Y83 PolarHBondContact NZ-O 2.81Å; K16-R85 PolarHBondContact NZ-O 2.86Å; K16-Q88 PolarHBondContact O-N 3.38Å; K16-G89 PolarHBondContact O-N 3.4Å
17F93.9Very high83.8Confident0 Ų051.1 Ų51.10%028%0.281CS..EExtended strand (participates in β ladder)trans-114.1149175.9-62.7-17.3000113L15 L65 E66 L67 W68 G89 L91 F167 L170 S171 V174L15-F17 HydrophobicContact CB-CD1 4.35Å; L15-F17 HydrophobicContact CB-CE1 3.75Å; L15-F17 HydrophobicContact CB-CZ 4.02Å; L15-F17 HydrophobicContact CD1-CE1 4.04Å; L15-F17 HydrophobicContact CD1-CZ 3.74Å; L15-F17 HydrophobicContact CG-CE1 4.49Å; F17-L65 HydrophobicContact CD2-CD1 4.4Å; F17-L65 HydrophobicContact CD2-CD2 4.23Å; F17-L65 HydrophobicContact CE2-CD1 4.19Å; F17-L65 HydrophobicContact CE2-CD2 3.73Å; F17-L65 HydrophobicContact CZ-CD2 4.08Å; F17-E66 PolarHBondContact N-O 2.91Å; F17-L67 HydrophobicContact CB-CD2 3.82Å; F17-L67 HydrophobicContact CD2-CD2 4.04Å; F17-L67 HydrophobicContact CG-CD2 4.37Å; F17-L67 WeakPolarHBondContact O-CA 3.29Å; F17-W68 PolarHBondContact O-N 2.65Å; F17-G89 VanDerWaalsContact CA-O 3.23Å; F17-G89 WeakPolarHBondContact CA-O 3.32Å; F17-L91 HydrophobicContact CB-CD1 4.07Å; F17-L91 HydrophobicContact CD2-CD1 4.25Å; F17-L91 HydrophobicContact CG-CD1 4.45Å; F17-F167 HydrophobicContact CD2-CD1 4.05Å; F17-L170 HydrophobicContact CD1-CD2 4.15Å; F17-L170 HydrophobicContact CD2-CD2 3.79Å; F17-L170 HydrophobicContact CD2-CG 4.41Å; F17-L170 HydrophobicContact CE1-CD2 4.23Å; F17-L170 HydrophobicContact CE1-CG 4.13Å; F17-L170 HydrophobicContact CE2-CB 4.24Å; F17-L170 HydrophobicContact CE2-CD2 3.84Å; F17-L170 HydrophobicContact CE2-CG 3.96Å; F17-L170 HydrophobicContact CG-CD2 3.95Å; F17-L170 HydrophobicContact CZ-CB 4.36Å; F17-L170 HydrophobicContact CZ-CD2 4.08Å; F17-L170 HydrophobicContact CZ-CG 3.83Å; F17-S171 WeakPolarHBondContact CE2-OG 3.38Å; F17-S171 WeakPolarHBondContact CZ-OG 3.07Å; F17-V174 HydrophobicContact CE1-CG2 4.01Å; F17-V174 HydrophobicContact CZ-CG2 4.48Å
18L92.1Very high85.7Confident0 Ų046.5 Ų46.50%026%0.255CS..EExtended strand (participates in β ladder)trans-114.9137.9174.7-53.7-175.9000110.3V20 W68 T70 F80 A87 G89 I90 L91L18-V20 HydrophobicContact CB-CG2 4.19Å; L18-W68 HydrophobicContact CD2-CB 3.51Å; L18-W68 HydrophobicContact CD2-CG 3.82Å; L18-T70 HydrophobicContact CB-CG2 4.27Å; L18-T70 HydrophobicContact CD1-CG2 4.41Å; L18-T70 HydrophobicContact CD2-CG2 4.07Å; L18-T70 HydrophobicContact CG-CG2 4.49Å; L18-F80 HydrophobicContact CD1-CE2 4.23Å; L18-A87 HydrophobicContact CD1-CB 3.59Å; L18-A87 HydrophobicContact CD2-CB 4.48Å; L18-A87 HydrophobicContact CG-CB 3.73Å; L18-G89 PolarHBondContact N-O 3.43Å; L18-G89 VanDerWaalsContact N-O 3.08Å; L18-I90 HydrophobicContact CB-CG1 4.41Å; L18-I90 CarbonylContact O-C 3.57Å; L18-I90 WeakPolarHBondContact O-CA 3.45Å; L18-L91 PolarHBondContact O-N 3.31Å
19L92.3Very high87.6Confident0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-99.8122.8167.1-73.373.4000108.2K27 I30 L31 L67 W68 T70 S71 L91 F167L19-K27 HydrophobicContact CB-CB 4.2Å; L19-K27 HydrophobicContact CB-CD 4.43Å; L19-K27 HydrophobicContact CB-CG 4.12Å; L19-K27 HydrophobicContact CD2-CB 3.91Å; L19-K27 HydrophobicContact CD2-CG 4.34Å; L19-I30 HydrophobicContact CD2-CB 4.47Å; L19-I30 HydrophobicContact CD2-CG2 4.3Å; L19-L31 HydrophobicContact CD1-CD2 3.8Å; L19-L31 HydrophobicContact CD2-CD1 4.35Å; L19-L31 HydrophobicContact CD2-CD2 3.74Å; L19-L31 HydrophobicContact CD2-CG 3.79Å; L19-L31 HydrophobicContact CG-CD2 4.44Å; L19-L67 HydrophobicContact CD1-CB 4.36Å; L19-W68 PolarHBondContact N-O 3.05Å; L19-T70 PolarHBondContact O-N 2.9Å; L19-T70 VanDerWaalsContact O-N 3.12Å; L19-T70 PolarHBondContact O-OG1 2.69Å; L19-S71 PolarHBondContact O-OG 3.33Å; L19-L91 HydrophobicContact CD1-CD1 4.15Å; L19-L91 HydrophobicContact CG-CB 4.28Å; L19-L91 HydrophobicContact CG-CD1 4.41Å; L19-F167 HydrophobicContact CD1-CE1 4.31Å
20V91.4Very high89.3Confident0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-128.3130.3-172.4-176.50000108.9L18 S71 F80 I90 L91 L92 V93 W108L18-V20 HydrophobicContact CB-CG2 4.19Å; V20-S71 WeakPolarHBondContact CA-OG 3.38Å; V20-F80 HydrophobicContact CG1-CE2 4.4Å; V20-F80 HydrophobicContact CG2-CD2 4.33Å; V20-F80 HydrophobicContact CG2-CE2 3.64Å; V20-I90 HydrophobicContact CB-CG2 4.23Å; V20-I90 HydrophobicContact CG2-CG2 3.69Å; V20-L91 PolarHBondContact N-O 2.87Å; V20-L92 HydrophobicContact CB-CD2 4.16Å; V20-L92 HydrophobicContact CG1-CD2 4.13Å; V20-L92 CarbonylContact O-C 3.59Å; V20-L92 WeakPolarHBondContact O-CA 3.24Å; V20-V93 PolarHBondContact O-N 3.21Å; V20-W108 HydrophobicContact CG1-CB 3.91Å; V20-W108 HydrophobicContact CG1-CD2 3.59Å; V20-W108 HydrophobicContact CG1-CE3 3.29Å; V20-W108 HydrophobicContact CG1-CG 3.88Å; V20-W108 HydrophobicContact CG1-CZ3 4Å
21G90.8Very high90Very high1 Ų130.7 Ų30.71%0.0117%0.166CC..  trans168.9173.6175.400000112.1K27 S71 V93G21-K27 PolarHBondContact O-NZ 2.95Å; G21-S71 PolarHBondContact N-OG 3.44Å; G21-S71 VanDerWaalsContact N-OG 3.15Å; G21-S71 VanDerWaalsContact O-CB 3.22Å; G21-S71 WeakPolarHBondContact O-CB 3.2Å; G21-S71 PolarHBondContact O-OG 3.5Å; G21-V93 WeakPolarHBondContact CA-O 3.41Å
22D88.8Confident90.1Very high47 Ų4733.1 Ų33.125%0.25118%0.184SC..  trans-61.2156.9-179.2-82.59.5000112.9V25 K27 W108D22-V25 HydrophobicContact CB-CG1 4.01Å; D22-V25 VanDerWaalsContact O-CG1 3.31Å; D22-V25 WeakPolarHBondContact O-CG1 3.12Å; D22-V25 WeakPolarHBondContact O-CG2 3.5Å; D22-V25 PolarHBondContact O-N 2.82Å; D22-K27 PolarHBondContact O-NZ 3.29Å; D22-W108 PolarHBondContact OD1-NE1 3.03Å
23S85.6Confident90.2Very high68 Ų6830 Ų3048%0.47617%0.169SC..THydrogen-bonded Turntrans-57.9145.8175.8-59.30000110.6V25S23-V25 VanDerWaalsContact C-N 3.29Å; S23-V25 PolarHBondContact O-N 3.34Å
24D87.6Confident90Very high124 Ų12429 Ų2966%0.66317%0.166SC*.THydrogen-bonded Turntrans63.721.4178.7-166.529.9000116.6G26 R127D24-G26 PolarHBondContact O-N 3.1Å; D24-R127 PolarHBondContact O-NH1 2.95Å; D24-R127 VanDerWaalsContact O-NH1 3.08Å; D24-R127 PolarHBondContact O-NH2 3.01Å; D24-R127 VanDerWaalsContact O-NH2 3.14Å; D24-R127 IonicContact OD1-CZ 2.73Å; D24-R127 IonicContact OD1-NH1 3.67Å; D24-R127 IonicContact OD1-NH2 2.78Å; D24-R127 PolarHBondContact OD1-NH2 2.84Å
25V92.4Very high89.2Confident0 Ų034.2 Ų34.20%019%0.189CC..SBendtrans-81.6-1.9167.9-57.40000113.5D22 S23 K27 V93 D95 N126D22-V25 HydrophobicContact CB-CG1 4.01Å; D22-V25 VanDerWaalsContact O-CG1 3.31Å; D22-V25 WeakPolarHBondContact O-CG1 3.12Å; D22-V25 WeakPolarHBondContact O-CG2 3.5Å; D22-V25 PolarHBondContact O-N 2.82Å; S23-V25 VanDerWaalsContact C-N 3.29Å; S23-V25 PolarHBondContact O-N 3.34Å; V25-K27 HydrophobicContact CG2-CD 3.84Å; V25-K27 HydrophobicContact CG2-CG 3.9Å; V25-V93 HydrophobicContact CB-CG1 4.39Å; V25-V93 HydrophobicContact CG2-CB 4.07Å; V25-V93 HydrophobicContact CG2-CG1 3.84Å; V25-D95 HydrophobicContact CB-CB 4.35Å; V25-D95 HydrophobicContact CG1-CB 4.44Å; V25-N126 WeakPolarHBondContact O-CB 3.47Å; V25-N126 PolarHBondContact O-ND2 3.37Å
26G90.3Very high87.8Confident7 Ų738.7 Ų38.77%0.07221%0.212CC..SBendtrans81.435.8177.400000116.1D24 E29 I30 N126D24-G26 PolarHBondContact O-N 3.1Å; G26-E29 WeakPolarHBondContact O-CB 3.45Å; G26-E29 PolarHBondContact O-N 2.96Å; G26-I30 WeakPolarHBondContact O-CG1 3.31Å; G26-I30 PolarHBondContact O-N 3.36Å; G26-I30 VanDerWaalsContact O-N 3.11Å; G26-N126 WeakPolarHBondContact CA-ND2 3.47Å; G26-N126 PolarHBondContact O-ND2 2.73Å
27K90.6Very high85.8Confident5 Ų539.3 Ų39.32%0.02223%0.227CC..Hα-helixtrans-65.9-41.3173-63.2146.5-57.4-142.40112.2L19 G21 D22 V25 E29 I30 L31 S71 V93L19-K27 HydrophobicContact CB-CB 4.2Å; L19-K27 HydrophobicContact CB-CD 4.43Å; L19-K27 HydrophobicContact CB-CG 4.12Å; L19-K27 HydrophobicContact CD2-CB 3.91Å; L19-K27 HydrophobicContact CD2-CG 4.34Å; G21-K27 PolarHBondContact O-NZ 2.95Å; D22-K27 PolarHBondContact O-NZ 3.29Å; V25-K27 HydrophobicContact CG2-CD 3.84Å; V25-K27 HydrophobicContact CG2-CG 3.9Å; K27-E29 VanDerWaalsContact C-N 3.3Å; K27-E29 PolarHBondContact O-N 3.47Å; K27-I30 WeakPolarHBondContact O-CB 3.36Å; K27-I30 PolarHBondContact O-N 2.93Å; K27-I30 VanDerWaalsContact O-N 3.15Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 2.92Å; K27-S71 WeakPolarHBondContact CD-OG 3.46Å; K27-S71 WeakPolarHBondContact CE-O 3.31Å; K27-S71 PolarHBondContact NZ-O 2.88Å; K27-V93 HydrophobicContact CD-CB 4.41Å; K27-V93 HydrophobicContact CG-CB 3.8Å; K27-V93 HydrophobicContact CG-CG1 4.08Å; K27-V93 HydrophobicContact CG-CG2 3.85Å
28G88.5Confident83.5Confident24 Ų2440.7 Ų40.725%0.24724%0.237CC..Hα-helixtrans-54.2-46169.700000111.7I30 L31 D32G28-I30 VanDerWaalsContact C-N 3.32Å; G28-I30 PolarHBondContact O-N 3.31Å; G28-L31 PolarHBondContact O-N 3.11Å; G28-L31 VanDerWaalsContact O-N 3.1Å; G28-D32 WeakPolarHBondContact O-CB 3.26Å; G28-D32 PolarHBondContact O-N 3.4Å
29E90.8Very high81.1Confident70 Ų7045.8 Ų45.833%0.32728%0.28SS..Hα-helixtrans-57.5-43.4176.3-55.6165.9-15500112G26 K27 D32 S33 R127 P157G26-E29 WeakPolarHBondContact O-CB 3.45Å; G26-E29 PolarHBondContact O-N 2.96Å; K27-E29 VanDerWaalsContact C-N 3.3Å; K27-E29 PolarHBondContact O-N 3.47Å; E29-D32 PolarHBondContact O-N 3.25Å; E29-S33 WeakPolarHBondContact O-CB 3.43Å; E29-S33 PolarHBondContact O-N 3Å; E29-S33 PolarHBondContact O-OG 2.99Å; E29-R127 IonicContact OE1-CZ 2.97Å; E29-R127 IonicContact OE1-NE 2.67Å; E29-R127 PolarHBondContact OE1-NE 3.33Å; E29-R127 IonicContact OE1-NH2 3.63Å; E29-R127 PolarHBondContact OE1-NH2 3.27Å; E29-R127 IonicContact OE2-NE 3.78Å; E29-P157 HydrophobicContact CB-CB 4.23Å; E29-P157 HydrophobicContact CB-CG 4.21Å; E29-P157 WeakPolarHBondContact O-CB 3.41Å
30I91.8Very high78.8Confident1 Ų154.8 Ų54.81%0.00532%0.321CS..Hα-helixtrans-62-47.8175.7-66.2167.2000110.4L19 G26 K27 G28 S33 V93 V124 N126 V155 P157 V163 F167L19-I30 HydrophobicContact CD2-CB 4.47Å; L19-I30 HydrophobicContact CD2-CG2 4.3Å; G26-I30 WeakPolarHBondContact O-CG1 3.31Å; G26-I30 PolarHBondContact O-N 3.36Å; G26-I30 VanDerWaalsContact O-N 3.11Å; K27-I30 WeakPolarHBondContact O-CB 3.36Å; K27-I30 PolarHBondContact O-N 2.93Å; K27-I30 VanDerWaalsContact O-N 3.15Å; G28-I30 VanDerWaalsContact C-N 3.32Å; G28-I30 PolarHBondContact O-N 3.31Å; I30-S33 PolarHBondContact O-N 2.85Å; I30-S33 PolarHBondContact O-OG 2.93Å; I30-V93 HydrophobicContact CD1-CG1 3.72Å; I30-V93 HydrophobicContact CD1-CG2 4.17Å; I30-V124 HydrophobicContact CD1-CG1 4.29Å; I30-N126 HydrophobicContact CD1-CB 4.19Å; I30-V155 HydrophobicContact CD1-CG2 4.06Å; I30-V155 HydrophobicContact CG1-CG2 4.26Å; I30-P157 HydrophobicContact CB-CG 4.28Å; I30-P157 HydrophobicContact CG1-CG 3.59Å; I30-V163 HydrophobicContact CG2-CG1 4.26Å; I30-F167 HydrophobicContact CG2-CE2 3.69Å; I30-F167 HydrophobicContact CG2-CZ 3.8Å
31L90Very high76.4Confident6 Ų657.2 Ų57.23%0.03134%0.339CS..Hα-helixtrans-62.4-45.6178.9-67.8179.4000111.4L19 K27 G28 S33 L34 K52 L67 D69L19-L31 HydrophobicContact CD1-CD2 3.8Å; L19-L31 HydrophobicContact CD2-CD1 4.35Å; L19-L31 HydrophobicContact CD2-CD2 3.74Å; L19-L31 HydrophobicContact CD2-CG 3.79Å; L19-L31 HydrophobicContact CG-CD2 4.44Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 2.92Å; G28-L31 PolarHBondContact O-N 3.11Å; G28-L31 VanDerWaalsContact O-N 3.1Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 2.89Å; L31-L34 WeakPolarHBondContact O-CB 3.25Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-L34 VanDerWaalsContact O-N 3.13Å; L31-K52 HydrophobicContact CB-CD 4.24Å; L31-K52 WeakPolarHBondContact O-CD 3.04Å; L31-K52 VanDerWaalsContact O-CE 3.26Å; L31-K52 WeakPolarHBondContact O-CE 3.5Å; L31-K52 PolarHBondContact O-NZ 2.91Å; L31-L67 HydrophobicContact CD2-CB 3.63Å; L31-L67 HydrophobicContact CD2-CD1 3.54Å; L31-L67 HydrophobicContact CD2-CG 4.21Å; L31-D69 HydrophobicContact CD1-CB 3.75Å
32D87.1Confident73.9Confident123 Ų12362.6 Ų62.666%0.65837%0.374SS*.Hα-helixtrans-62.6-37.5-178.8-70.3-19.5000111.9G28 E29 L34 K52G28-D32 WeakPolarHBondContact O-CB 3.26Å; G28-D32 PolarHBondContact O-N 3.4Å; E29-D32 PolarHBondContact O-N 3.25Å; D32-L34 PolarHBondContact O-N 3.24Å; D32-K52 PolarHBondContact O-NZ 3.26Å
33S86.8Confident71.5Confident28 Ų2869.3 Ų69.320%0.19640%0.396CS..Hα-helixtrans-66.2-20.5177.170.20000114.4E29 I30 L31 Q35E29-S33 WeakPolarHBondContact O-CB 3.43Å; E29-S33 PolarHBondContact O-N 3Å; E29-S33 PolarHBondContact O-OG 2.99Å; I30-S33 PolarHBondContact O-N 2.85Å; I30-S33 PolarHBondContact O-OG 2.93Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 2.89Å; S33-Q35 PolarHBondContact O-N 2.74Å
34L84.6Confident69.5Low8 Ų869.1 Ų69.14%0.04240%0.399CS..SBendtrans-72.5125.5174.9-67.1168.3000110L31 D32 D36 K52 T54 L67 V163 I164 F167L31-L34 WeakPolarHBondContact O-CB 3.25Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-L34 VanDerWaalsContact O-N 3.13Å; D32-L34 PolarHBondContact O-N 3.24Å; L34-D36 PolarHBondContact O-N 2.8Å; L34-K52 VanDerWaalsContact O-CE 3.26Å; L34-K52 WeakPolarHBondContact O-CE 3.29Å; L34-K52 PolarHBondContact O-NZ 2.67Å; L34-T54 HydrophobicContact CD1-CG2 4.14Å; L34-L67 HydrophobicContact CD1-CD1 3.23Å; L34-V163 HydrophobicContact CD2-CG1 3.75Å; L34-V163 HydrophobicContact CG-CG1 4.14Å; L34-I164 HydrophobicContact CD2-CG1 4.4Å; L34-F167 HydrophobicContact CD1-CD2 4.08Å; L34-F167 HydrophobicContact CD1-CE1 4.45Å; L34-F167 HydrophobicContact CD1-CE2 3.62Å; L34-F167 HydrophobicContact CD1-CZ 3.83Å; L34-F167 HydrophobicContact CD2-CD2 3.94Å; L34-F167 HydrophobicContact CD2-CE2 4.08Å; L34-F167 HydrophobicContact CG-CE2 4.17Å
35Q73Confident67.2Low172 Ų17272.3 Ų72.380%0.80440%0.403SS*.  trans-62.8138172.9-65.9-179.17.500110.1S33 G37 T54S33-Q35 PolarHBondContact O-N 2.74Å; Q35-G37 PolarHBondContact O-N 2.83Å; Q35-T54 PolarHBondContact O-OG1 3.13Å
36D62.4Low64.9Low97 Ų9778.4 Ų78.452%0.51945%0.446SS..  trans-66.4107.2171-74.3-27.7000108.4L34 S38 K52L34-D36 PolarHBondContact O-N 2.8Å; D36-S38 PolarHBondContact O-N 3.13Å; D36-K52 WeakPolarHBondContact OD1-CE 2.89Å; D36-K52 IonicContact OD1-NZ 3.53Å
37G51Low62.5Low44 Ų4482 Ų8245%0.45447%0.47SS..THydrogen-bonded Turntrans-66.713.2168.700000113.2Q35Q35-G37 PolarHBondContact O-N 2.83Å
38S45.1Very low60.5Low29 Ų2984.4 Ų84.420%0.20350%0.496CS..THydrogen-bonded Turntrans-107.723.1-167.573.50000114.2D36 E40 S41D36-S38 PolarHBondContact O-N 3.13Å; S38-E40 PolarHBondContact O-N 3.5Å; S38-S41 PolarHBondContact O-N 3.17Å
39A41.6Very low58.9Low108 Ų10890.3 Ų90.389%0.89352%0.521SS*.THydrogen-bonded Turntrans-52.5-11.2168.300000113.7
40E44.4Very low57.9Low188 Ų18890.6 Ų90.688%0.87952%0.524SS*.THydrogen-bonded Turntrans-104.53.7176.5-61.8-96.3128.700114.7S38 P42S38-E40 PolarHBondContact O-N 3.5Å; E40-P42 WeakPolarHBondContact O-CD 2.96Å
41S40.6Very low57.4Low52 Ų5294.6 Ų94.636%0.36454%0.54SS..  trans-111.3104.1179.3-173.50000112S38 Y43 A44S38-S41 PolarHBondContact O-N 3.17Å; S41-Y43 PolarHBondContact O-N 3.3Å; S41-Y43 PolarHBondContact OG-N 3.24Å; S41-A44 PolarHBondContact O-N 3.13Å
42P38.4Very low57.2Low114 Ų11495.9 Ų95.974%0.7455%0.545SS*.THydrogen-bonded Turntrans-67.55.6173.126.6-32.6000114E40E40-P42 WeakPolarHBondContact O-CD 2.96Å
43Y39.7Very low57.3Low187 Ų18791.5 Ų91.573%0.73352%0.523SS*.THydrogen-bonded Turntrans-11419176.6-55.5-73.7000113.1S41 Y45S41-Y43 PolarHBondContact O-N 3.3Å; S41-Y43 PolarHBondContact OG-N 3.24Å; Y43-Y45 PolarHBondContact O-N 3.28Å
44A43.8Very low57.4Low65 Ų6590.5 Ų90.554%0.53752%0.516SS..  trans-67.669.7168.100000109.9S41S41-A44 PolarHBondContact O-N 3.13Å
45Y38Very low57.6Low190 Ų19092.2 Ų92.275%0.74553%0.527SS*.  trans-68.1132.9161.6-92.4-97.2000107.1Y43 S47Y43-Y45 PolarHBondContact O-N 3.28Å; Y45-S47 WeakPolarHBondContact CB-OG 3.47Å; Y45-S47 PolarHBondContact O-N 3.46Å
46S44.6Very low58.4Low128 Ų12884.6 Ų84.690%0.89549%0.491SS*.  trans-66.968.8162.7-175.70000108.6G48S46-G48 PolarHBondContact O-N 3.19Å; S46-G48 VanDerWaalsContact O-N 3.13Å
47S40.9Very low59.5Low83 Ų8385.8 Ų85.858%0.5850%0.497SS*.  trans-83.783.9-175.4-78.60000109.8Y45Y45-S47 WeakPolarHBondContact CB-OG 3.47Å; Y45-S47 PolarHBondContact O-N 3.46Å
48G48.2Very low61.3Low55 Ų5583.8 Ų83.857%0.56748%0.476SS*.  trans67.5155.1166.100000114.8S46 D50S46-G48 PolarHBondContact O-N 3.19Å; S46-G48 VanDerWaalsContact O-N 3.13Å; G48-D50 PolarHBondContact O-N 2.84Å
49I53.7Low63Low149 Ų14985.9 Ų85.976%0.76449%0.485SS*.THydrogen-bonded Turntrans-69.6-0.6-168.7-66.4158.9000113
50D69.6Low64.8Low75 Ų7583.1 Ų83.140%0.40147%0.467SS..THydrogen-bonded Turntrans-112.5-6.4-161.6-55.4-26.6000115.3G48 W68 D69G48-D50 PolarHBondContact O-N 2.84Å; D50-W68 CarbonylContact O-C 3.58Å; D50-W68 WeakPolarHBondContact O-CA 3.42Å; D50-D69 PolarHBondContact O-N 2.75Å
51Y81.6Confident66.7Low85 Ų8577.3 Ų77.333%0.33344%0.437SS..EExtended strand (participates in β ladder)trans-142.6129.3-177.9177.4-99.5000113.2T53 E66 L67 W68Y51-T53 WeakPolarHBondContact CE1-OG1 3.34Å; Y51-T53 PolarHBondContact OH-OG1 3.44Å; Y51-T53 VanDerWaalsContact OH-OG1 3.13Å; Y51-E66 HydrophobicContact CE2-CB 3.96Å; Y51-E66 HydrophobicContact CE2-CG 4.33Å; Y51-E66 PolarHBondContact OH-OE1 3.45Å; Y51-L67 CarbonylContact C-O 3.59Å; Y51-L67 WeakPolarHBondContact CA-O 3.1Å; Y51-W68 AromaticContact CD2-CD2 3.67Å; Y51-W68 HydrophobicContact CD2-CD2 3.67Å; Y51-W68 AromaticContact CD2-CE2 3.4Å; Y51-W68 VanDerWaalsContact CD2-CE2 3.4Å; Y51-W68 AromaticContact CD2-CE3 3.94Å; Y51-W68 HydrophobicContact CD2-CE3 3.94Å; Y51-W68 HydrophobicContact CD2-CG 4.27Å; Y51-W68 AromaticContact CD2-CH2 3.79Å; Y51-W68 HydrophobicContact CD2-CH2 3.79Å; Y51-W68 AromaticContact CD2-CZ2 3.49Å; Y51-W68 HydrophobicContact CD2-CZ2 3.49Å; Y51-W68 VanDerWaalsContact CD2-CZ2 3.49Å; Y51-W68 AromaticContact CD2-CZ3 3.98Å; Y51-W68 HydrophobicContact CD2-CZ3 3.98Å; Y51-W68 AromaticContact CD2-NE1 3.82Å; Y51-W68 HydrophobicContact CE2-CD2 4.35Å; Y51-W68 AromaticContact CE2-CE2 3.62Å; Y51-W68 HydrophobicContact CE2-CH2 4.19Å; Y51-W68 AromaticContact CE2-CZ2 3.55Å; Y51-W68 HydrophobicContact CE2-CZ2 3.55Å; Y51-W68 AromaticContact CE2-NE1 3.76Å; Y51-W68 HydrophobicContact CG-CH2 4.44Å; Y51-W68 HydrophobicContact CG-CZ3 4.44Å
52K85.8Confident69Low33 Ų3382 Ų8214%0.14345%0.447CS..EExtended strand (participates in β ladder)trans-135.1143.9175.1-173.1165.3-176.4165.80111.5L31 D32 L34 D36 L67L31-K52 HydrophobicContact CB-CD 4.24Å; L31-K52 WeakPolarHBondContact O-CD 3.04Å; L31-K52 VanDerWaalsContact O-CE 3.26Å; L31-K52 WeakPolarHBondContact O-CE 3.5Å; L31-K52 PolarHBondContact O-NZ 2.91Å; D32-K52 PolarHBondContact O-NZ 3.26Å; L34-K52 VanDerWaalsContact O-CE 3.26Å; L34-K52 WeakPolarHBondContact O-CE 3.29Å; L34-K52 PolarHBondContact O-NZ 2.67Å; D36-K52 WeakPolarHBondContact OD1-CE 2.89Å; D36-K52 IonicContact OD1-NZ 3.53Å; K52-L67 HydrophobicContact CB-CB 4.49Å; K52-L67 PolarHBondContact N-O 3.5Å; K52-L67 WeakPolarHBondContact O-CA 3.49Å; K52-L67 WeakPolarHBondContact O-CB 3.28Å; K52-L67 PolarHBondContact O-N 3.38Å
53T88.8Confident71.5Confident32 Ų3276.5 Ų76.520%0.19641%0.411CS..EExtended strand (participates in β ladder)trans-116.5126.4173.8-67.30000110.2Y51 K64 L65Y51-T53 WeakPolarHBondContact CE1-OG1 3.34Å; Y51-T53 PolarHBondContact OH-OG1 3.44Å; Y51-T53 VanDerWaalsContact OH-OG1 3.13Å; T53-K64 HydrophobicContact CG2-CD 4.19Å; T53-K64 HydrophobicContact CG2-CG 3.94Å; T53-L65 VanDerWaalsContact CA-O 3.31Å; T53-L65 WeakPolarHBondContact CA-O 2.8Å
54T88.8Confident73.9Confident7 Ų770.2 Ų70.24%0.04339%0.388CS..EExtended strand (participates in β ladder)trans-130.6165.9171.9-170.30000110.7L34 Q35 K64 L65 L67L34-T54 HydrophobicContact CD1-CG2 4.14Å; Q35-T54 PolarHBondContact O-OG1 3.13Å; T54-K64 CarbonylContact O-C 3.6Å; T54-L65 HydrophobicContact CG2-CB 4.02Å; T54-L65 HydrophobicContact CG2-CD1 4.18Å; T54-L65 HydrophobicContact CG2-CG 4.44Å; T54-L65 PolarHBondContact N-O 3.32Å; T54-L65 PolarHBondContact O-N 3.47Å; T54-L67 HydrophobicContact CG2-CD1 4.04Å
55T89.6Confident76.2Confident43 Ų4367.1 Ų67.126%0.26436%0.362SS..EExtended strand (participates in β ladder)trans-125.7122.4174-59.70000108.8R62 V63T55-R62 HydrophobicContact CG2-CB 4.05Å; T55-V63 WeakPolarHBondContact CA-O 3.46Å
56I89.9Confident78.8Confident12 Ų1260.2 Ų60.26%0.06234%0.337CS..EExtended strand (participates in β ladder)trans-104.2154.6174.564.4166000110.2V63 L65I56-V63 HydrophobicContact CG1-CB 3.97Å; I56-V63 PolarHBondContact N-O 3.41Å; I56-V63 PolarHBondContact O-N 2.78Å; I56-L65 HydrophobicContact CD1-CD1 3.98Å; I56-L65 HydrophobicContact CG1-CD1 4.08Å; I56-L65 HydrophobicContact CG1-CG 4.27Å; I56-L65 HydrophobicContact CG2-CD1 4Å
57L86.4Confident81Confident123 Ų12354.1 Ų54.164%0.64429%0.294SS*.EExtended strand (participates in β ladder)trans-97.5111.2171.3-171.671.2000108.7R61 R62L57-R61 WeakPolarHBondContact CA-O 3.33Å; L57-R62 HydrophobicContact CD1-CG 4.43Å
58L87.1Confident83.3Confident2 Ų252.9 Ų52.91%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-114.7111.3177.5178.372.9000108.5G60 R61 V63 T168 R172 L175 W184L58-G60 PolarHBondContact O-N 2.98Å; L58-G60 VanDerWaalsContact O-N 3.17Å; L58-R61 PolarHBondContact N-O 3.44Å; L58-R61 WeakPolarHBondContact O-CB 3.34Å; L58-R61 PolarHBondContact O-N 3.49Å; L58-V63 HydrophobicContact CB-CG2 3.84Å; L58-V63 HydrophobicContact CD2-CG2 4.24Å; L58-T168 HydrophobicContact CD1-CG2 3.38Å; L58-R172 HydrophobicContact CD1-CB 4.35Å; L58-L175 HydrophobicContact CD2-CD1 3.49Å; L58-L175 VanDerWaalsContact CD2-CD1 3.49Å; L58-W184 HydrophobicContact CD1-CH2 4.24Å; L58-W184 HydrophobicContact CD2-CH2 3.85Å; L58-W184 HydrophobicContact CD2-CZ3 3.98Å; L58-W184 HydrophobicContact CG-CH2 3.77Å; L58-W184 HydrophobicContact CG-CZ3 4.24Å
59D81.3Confident85Confident72 Ų7250.9 Ų50.939%0.38525%0.253SS..THydrogen-bonded Turntrans52.141.9175.3-66.2-68.8000113.4R61 R172 W184 N187D59-R61 VanDerWaalsContact C-N 3.31Å; D59-R61 PolarHBondContact O-N 2.86Å; D59-R172 IonicContact OD2-NE 2.83Å; D59-R172 IonicContact OD2-NH2 3.55Å; D59-R172 PolarHBondContact OD2-NH2 2.85Å; D59-W184 HydrophobicContact CB-CH2 3.65Å; D59-W184 HydrophobicContact CB-CZ2 3.67Å; D59-W184 HydrophobicContact CB-CZ3 4.35Å; D59-W184 WeakPolarHBondContact OD2-CH2 3.26Å; D59-W184 WeakPolarHBondContact OD2-CZ2 3.14Å; D59-N187 PolarHBondContact O-ND2 2.77Å
60G80.3Confident85.7Confident51 Ų5144.6 Ų44.653%0.52622%0.222SC..THydrogen-bonded Turntrans79.44.7-179.500000115.2L58L58-G60 PolarHBondContact O-N 2.98Å; L58-G60 VanDerWaalsContact O-N 3.17Å
61R84.5Confident85.3Confident65 Ų6541.5 Ų41.525%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-108.1141.8175.3-62.2-174.7-170.3-145.6-4.2111.6D12 Y13 L57 L58 D59 V63 F183D12-R61 HydrophobicContact CB-CB 4.15Å; D12-R61 VanDerWaalsContact OD2-CA 3.29Å; D12-R61 WeakPolarHBondContact OD2-CA 3.45Å; D12-R61 WeakPolarHBondContact OD2-CB 3.5Å; Y13-R61 PolarHBondContact OH-NH1 3.48Å; L57-R61 WeakPolarHBondContact CA-O 3.33Å; L58-R61 PolarHBondContact N-O 3.44Å; L58-R61 WeakPolarHBondContact O-CB 3.34Å; L58-R61 PolarHBondContact O-N 3.49Å; D59-R61 VanDerWaalsContact C-N 3.31Å; D59-R61 PolarHBondContact O-N 2.86Å; R61-V63 PolarHBondContact O-N 2.94Å; R61-F183 PolarHBondContact NH2-O 3.07Å
62R87.8Confident83.9Confident150 Ų15040.4 Ų40.457%0.56622%0.221SC*.EExtended strand (participates in β ladder)trans-83.7111.1175.8-69.2178.3-178.8-89.60.1108.7S10 D12 Y13 T55 L57S10-R62 WeakPolarHBondContact O-CD 3.09Å; D12-R62 PolarHBondContact N-O 2.78Å; D12-R62 PolarHBondContact OD2-N 3.21Å; Y13-R62 PolarHBondContact N-O 3.47Å; T55-R62 HydrophobicContact CG2-CB 4.05Å; L57-R62 HydrophobicContact CD1-CG 4.43Å
63V90.3Very high82.1Confident0 Ų044.4 Ų44.40%024%0.24CC..EExtended strand (participates in β ladder)trans-105.8111.1177.2-174.50000108.1Y13 L15 T55 I56 L58 R61 L65 L175Y13-V63 HydrophobicContact CD2-CG2 4.08Å; L15-V63 HydrophobicContact CD1-CG1 3.67Å; L15-V63 HydrophobicContact CG-CG1 3.87Å; T55-V63 WeakPolarHBondContact CA-O 3.46Å; I56-V63 HydrophobicContact CG1-CB 3.97Å; I56-V63 PolarHBondContact N-O 3.41Å; I56-V63 PolarHBondContact O-N 2.78Å; L58-V63 HydrophobicContact CB-CG2 3.84Å; L58-V63 HydrophobicContact CD2-CG2 4.24Å; R61-V63 PolarHBondContact O-N 2.94Å; V63-L65 HydrophobicContact CG1-CD2 3.78Å; V63-L175 HydrophobicContact CG2-CD1 4.29Å
64K91.6Very high80.2Confident54 Ų5446.4 Ų46.424%0.23527%0.267CS..EExtended strand (participates in β ladder)trans-80.4125.2173.5-172.6174.4179.1-171.40108.7Y11 Y13 L14 L15 T53 T54Y11-K64 HydrophobicContact CD1-CB 4.05Å; Y11-K64 HydrophobicContact CD1-CD 3.57Å; Y11-K64 HydrophobicContact CD1-CG 4.45Å; Y11-K64 HydrophobicContact CD2-CB 4.05Å; Y11-K64 HydrophobicContact CE1-CD 3.63Å; Y11-K64 HydrophobicContact CG-CB 3.71Å; Y11-K64 HydrophobicContact CG-CD 4.12Å; Y13-K64 PolarHBondContact O-N 3.46Å; L14-K64 CarbonylContact C-O 3.57Å; L14-K64 WeakPolarHBondContact CA-O 3.44Å; L14-K64 HydrophobicContact CD1-CB 3.88Å; L14-K64 HydrophobicContact CD1-CD 3.88Å; L14-K64 HydrophobicContact CD1-CG 3.76Å; L15-K64 PolarHBondContact N-O 3.42Å; T53-K64 HydrophobicContact CG2-CD 4.19Å; T53-K64 HydrophobicContact CG2-CG 3.94Å; T54-K64 CarbonylContact O-C 3.6Å
65L92.5Very high78.3Confident0 Ų056.5 Ų56.50%030%0.304CS..EExtended strand (participates in β ladder)trans-106.4127.8178.8-55.6-176.6000109.7L15 F17 T53 T54 I56 V63 L67 F167L15-L65 HydrophobicContact CB-CD2 3.87Å; L15-L65 HydrophobicContact CD1-CD2 4.2Å; L15-L65 HydrophobicContact CG-CD2 4.44Å; L15-L65 CarbonylContact O-C 3.54Å; L15-L65 WeakPolarHBondContact O-CA 3.42Å; F17-L65 HydrophobicContact CD2-CD1 4.4Å; F17-L65 HydrophobicContact CD2-CD2 4.23Å; F17-L65 HydrophobicContact CE2-CD1 4.19Å; F17-L65 HydrophobicContact CE2-CD2 3.73Å; F17-L65 HydrophobicContact CZ-CD2 4.08Å; T53-L65 VanDerWaalsContact CA-O 3.31Å; T53-L65 WeakPolarHBondContact CA-O 2.8Å; T54-L65 HydrophobicContact CG2-CB 4.02Å; T54-L65 HydrophobicContact CG2-CD1 4.18Å; T54-L65 HydrophobicContact CG2-CG 4.44Å; T54-L65 PolarHBondContact N-O 3.32Å; T54-L65 PolarHBondContact O-N 3.47Å; I56-L65 HydrophobicContact CD1-CD1 3.98Å; I56-L65 HydrophobicContact CG1-CD1 4.08Å; I56-L65 HydrophobicContact CG1-CG 4.27Å; I56-L65 HydrophobicContact CG2-CD1 4Å; V63-L65 HydrophobicContact CG1-CD2 3.78Å; L65-L67 HydrophobicContact CB-CD2 3.87Å; L65-L67 HydrophobicContact CB-CG 4.24Å; L65-L67 HydrophobicContact CD1-CD2 4.44Å; L65-F167 HydrophobicContact CD1-CB 3.97Å; L65-F167 HydrophobicContact CD1-CD1 4.24Å; L65-F167 HydrophobicContact CD1-CG 4.37Å
66E92.1Very high76.4Confident46 Ų4659.9 Ų59.922%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-101.1104.2168.2-66.1-173149.800108.2L14 L15 K16 F17 Y51L14-E66 HydrophobicContact CD1-CG 3.71Å; L14-E66 HydrophobicContact CG-CG 4.43Å; L15-E66 PolarHBondContact O-N 3Å; K16-E66 CarbonylContact C-O 3.59Å; K16-E66 WeakPolarHBondContact CA-O 3.22Å; F17-E66 PolarHBondContact N-O 2.91Å; Y51-E66 HydrophobicContact CE2-CB 3.96Å; Y51-E66 HydrophobicContact CE2-CG 4.33Å; Y51-E66 PolarHBondContact OH-OE1 3.45Å
67L90.6Very high74.6Confident0 Ų061.8 Ų61.80%033%0.33CS..EExtended strand (participates in β ladder)trans-100.5129.4-174-52.5-180000109.4F17 L19 L31 L34 Y51 K52 T54 L65 F167F17-L67 HydrophobicContact CB-CD2 3.82Å; F17-L67 HydrophobicContact CD2-CD2 4.04Å; F17-L67 HydrophobicContact CG-CD2 4.37Å; F17-L67 WeakPolarHBondContact O-CA 3.29Å; L19-L67 HydrophobicContact CD1-CB 4.36Å; L31-L67 HydrophobicContact CD2-CB 3.63Å; L31-L67 HydrophobicContact CD2-CD1 3.54Å; L31-L67 HydrophobicContact CD2-CG 4.21Å; L34-L67 HydrophobicContact CD1-CD1 3.23Å; Y51-L67 CarbonylContact C-O 3.59Å; Y51-L67 WeakPolarHBondContact CA-O 3.1Å; K52-L67 HydrophobicContact CB-CB 4.49Å; K52-L67 PolarHBondContact N-O 3.5Å; K52-L67 WeakPolarHBondContact O-CA 3.49Å; K52-L67 WeakPolarHBondContact O-CB 3.28Å; K52-L67 PolarHBondContact O-N 3.38Å; T54-L67 HydrophobicContact CG2-CD1 4.04Å; L65-L67 HydrophobicContact CB-CD2 3.87Å; L65-L67 HydrophobicContact CB-CG 4.24Å; L65-L67 HydrophobicContact CD1-CD2 4.44Å; L67-F167 HydrophobicContact CD1-CE1 4Å; L67-F167 HydrophobicContact CD1-CZ 4.24Å; L67-F167 HydrophobicContact CD2-CD1 4.02Å; L67-F167 HydrophobicContact CD2-CE1 3.7Å
68W87.9Confident73Confident56 Ų5660.5 Ų60.521%0.21233%0.327CS..EExtended strand (participates in β ladder)trans-117.1123.7176.8-59.976.5000109.6F17 L18 L19 D50 Y51 T70 Y83F17-W68 PolarHBondContact O-N 2.65Å; L18-W68 HydrophobicContact CD2-CB 3.51Å; L18-W68 HydrophobicContact CD2-CG 3.82Å; L19-W68 PolarHBondContact N-O 3.05Å; D50-W68 CarbonylContact O-C 3.58Å; D50-W68 WeakPolarHBondContact O-CA 3.42Å; Y51-W68 AromaticContact CD2-CD2 3.67Å; Y51-W68 HydrophobicContact CD2-CD2 3.67Å; Y51-W68 AromaticContact CD2-CE2 3.4Å; Y51-W68 VanDerWaalsContact CD2-CE2 3.4Å; Y51-W68 AromaticContact CD2-CE3 3.94Å; Y51-W68 HydrophobicContact CD2-CE3 3.94Å; Y51-W68 HydrophobicContact CD2-CG 4.27Å; Y51-W68 AromaticContact CD2-CH2 3.79Å; Y51-W68 HydrophobicContact CD2-CH2 3.79Å; Y51-W68 AromaticContact CD2-CZ2 3.49Å; Y51-W68 HydrophobicContact CD2-CZ2 3.49Å; Y51-W68 VanDerWaalsContact CD2-CZ2 3.49Å; Y51-W68 AromaticContact CD2-CZ3 3.98Å; Y51-W68 HydrophobicContact CD2-CZ3 3.98Å; Y51-W68 AromaticContact CD2-NE1 3.82Å; Y51-W68 HydrophobicContact CE2-CD2 4.35Å; Y51-W68 AromaticContact CE2-CE2 3.62Å; Y51-W68 HydrophobicContact CE2-CH2 4.19Å; Y51-W68 AromaticContact CE2-CZ2 3.55Å; Y51-W68 HydrophobicContact CE2-CZ2 3.55Å; Y51-W68 AromaticContact CE2-NE1 3.76Å; Y51-W68 HydrophobicContact CG-CH2 4.44Å; Y51-W68 HydrophobicContact CG-CZ3 4.44Å; W68-T70 HydrophobicContact CB-CG2 4.37Å; W68-T70 PolarHBondContact O-N 2.77Å; W68-Y83 HydrophobicContact CD2-CD1 4.05Å; W68-Y83 HydrophobicContact CD2-CE1 4.42Å; W68-Y83 AromaticContact CE3-CD1 3.44Å; W68-Y83 HydrophobicContact CE3-CD1 3.44Å; W68-Y83 VanDerWaalsContact CE3-CD1 3.44Å; W68-Y83 AromaticContact CE3-CE1 3.4Å; W68-Y83 HydrophobicContact CE3-CE1 3.4Å; W68-Y83 HydrophobicContact CE3-CG 4.3Å; W68-Y83 HydrophobicContact CH2-CE1 4.28Å; W68-Y83 AromaticContact CZ3-CD1 3.72Å; W68-Y83 HydrophobicContact CZ3-CD1 3.72Å; W68-Y83 AromaticContact CZ3-CE1 3.32Å; W68-Y83 HydrophobicContact CZ3-CE1 3.32Å
69D84.3Confident71.8Confident14 Ų1462.9 Ų62.98%0.07534%0.339CS..EExtended strand (participates in β ladder)trans-81.5112.7166.8-165.2-13.2000108.2L31 D50 S71L31-D69 HydrophobicContact CD1-CB 3.75Å; D50-D69 PolarHBondContact O-N 2.75Å; D69-S71 WeakPolarHBondContact OD1-CB 3.26Å; D69-S71 PolarHBondContact OD1-N 2.81Å
70T69.8Low71.1Confident17 Ų1759.8 Ų59.810%0.10432%0.322CS..  trans-97.910.2-178.661.90000112.9L18 L19 W68 Y83L18-T70 HydrophobicContact CB-CG2 4.27Å; L18-T70 HydrophobicContact CD1-CG2 4.41Å; L18-T70 HydrophobicContact CD2-CG2 4.07Å; L18-T70 HydrophobicContact CG-CG2 4.49Å; L19-T70 PolarHBondContact O-N 2.9Å; L19-T70 VanDerWaalsContact O-N 3.12Å; L19-T70 PolarHBondContact O-OG1 2.69Å; W68-T70 HydrophobicContact CB-CG2 4.37Å; W68-T70 PolarHBondContact O-N 2.77Å; T70-Y83 HydrophobicContact CG2-CD2 4Å; T70-Y83 HydrophobicContact CG2-CG 4.26Å
71S60.4Low70.6Confident10 Ų1063.3 Ų63.37%0.0732%0.32CS..  trans-136.267.2-152.6-470000115.7L19 V20 G21 K27 D69L19-S71 PolarHBondContact O-OG 3.33Å; V20-S71 WeakPolarHBondContact CA-OG 3.38Å; G21-S71 PolarHBondContact N-OG 3.44Å; G21-S71 VanDerWaalsContact N-OG 3.15Å; G21-S71 VanDerWaalsContact O-CB 3.22Å; G21-S71 WeakPolarHBondContact O-CB 3.2Å; G21-S71 PolarHBondContact O-OG 3.5Å; K27-S71 WeakPolarHBondContact CD-OG 3.46Å; K27-S71 WeakPolarHBondContact CE-O 3.31Å; K27-S71 PolarHBondContact NZ-O 2.88Å; D69-S71 WeakPolarHBondContact OD1-CB 3.26Å; D69-S71 PolarHBondContact OD1-N 2.81Å
72G52.3Low70Confident62 Ų6264.2 Ų64.264%0.63934%0.336SS*.SBendtrans-148.71.1171.100000113.7
73Q47.3Very low69.2Low116 Ų11659.7 Ų59.754%0.54232%0.319SS..  trans-117.386.8176.7-70.5-164.710.400109.5R75 F76 I79Q73-R75 PolarHBondContact O-N 3.36Å; Q73-F76 PolarHBondContact O-N 2.89Å; Q73-I79 HydrophobicContact CB-CD1 4.35Å; Q73-I79 HydrophobicContact CG-CD1 4.47Å
74G48.5Very low68.5Low75 Ų7560 Ų6077%0.77332%0.322SS*.THydrogen-bonded Turntrans-60.724.5172.300000115.3
75R50Low68Low218 Ų21867.6 Ų67.682%0.82335%0.349SS*.THydrogen-bonded Turntrans-135.8-4.8-177.9-66.5-161.1172.998.92.7116.5Q73Q73-R75 PolarHBondContact O-N 3.36Å
76F50.4Low67.6Low114 Ų11470.2 Ų70.250%0.538%0.376SS..  trans-14092.1-179.5-55-70.2000113.8Q73 T78 I79Q73-F76 PolarHBondContact O-N 2.89Å; F76-T78 PolarHBondContact O-N 2.91Å; F76-I79 HydrophobicContact CB-CD1 4.03Å; F76-I79 HydrophobicContact CB-CG1 3.96Å; F76-I79 HydrophobicContact CD2-CD1 4.29Å; F76-I79 PolarHBondContact O-N 3.12Å
77C51.7Low67.5Low53 Ų5368.4 Ų68.436%0.35837%0.369SS..Hα-helixtrans-50.5-21.9160.8-62.50000112I79 F80 R81C77-I79 VanDerWaalsContact C-N 3.3Å; C77-I79 PolarHBondContact O-N 3.45Å; C77-F80 PolarHBondContact O-N 3.3Å; C77-R81 WeakPolarHBondContact O-CG 3.46Å; C77-R81 PolarHBondContact O-N 3.46Å; C77-R81 VanDerWaalsContact O-N 3.16Å
78T52.4Low67.6Low96 Ų9671 Ų7159%0.58938%0.381SS*.Hα-helixtrans-59-33.8173.2-43.50000114F76 R81 S82F76-T78 PolarHBondContact O-N 2.91Å; T78-R81 WeakPolarHBondContact O-CB 3.36Å; T78-S82 PolarHBondContact O-N 3.47Å
79I61Low68Low51 Ų5168.3 Ų68.326%0.26237%0.371SS..Hα-helixtrans-75-43.1-178.1-66.6178.1000110.1Q73 F76 C77 R81 S82 Y83Q73-I79 HydrophobicContact CB-CD1 4.35Å; Q73-I79 HydrophobicContact CG-CD1 4.47Å; F76-I79 HydrophobicContact CB-CD1 4.03Å; F76-I79 HydrophobicContact CB-CG1 3.96Å; F76-I79 HydrophobicContact CD2-CD1 4.29Å; F76-I79 PolarHBondContact O-N 3.12Å; C77-I79 VanDerWaalsContact C-N 3.3Å; C77-I79 PolarHBondContact O-N 3.45Å; I79-R81 VanDerWaalsContact C-N 3.32Å; I79-R81 PolarHBondContact O-N 3.41Å; I79-S82 PolarHBondContact O-N 3.06Å; I79-Y83 HydrophobicContact CG2-CD2 3.58Å; I79-Y83 HydrophobicContact CG2-CE2 3.22Å; I79-Y83 WeakPolarHBondContact O-CD2 3.44Å; I79-Y83 PolarHBondContact O-N 2.86Å
80F68Low68.4Low7 Ų767.6 Ų67.63%0.03137%0.367CS..Hα-helixtrans-57.8-44173.1-179-103.5000111.6L18 V20 C77 S82 Y83 S84 E111 I112 H115L18-F80 HydrophobicContact CD1-CE2 4.23Å; V20-F80 HydrophobicContact CG1-CE2 4.4Å; V20-F80 HydrophobicContact CG2-CD2 4.33Å; V20-F80 HydrophobicContact CG2-CE2 3.64Å; C77-F80 PolarHBondContact O-N 3.3Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 2.97Å; F80-Y83 PolarHBondContact O-N 2.78Å; F80-Y83 VanDerWaalsContact O-N 3.15Å; F80-S84 VanDerWaalsContact O-CB 3.28Å; F80-S84 WeakPolarHBondContact O-CB 3.3Å; F80-S84 PolarHBondContact O-N 2.65Å; F80-E111 HydrophobicContact CD1-CB 4.44Å; F80-E111 HydrophobicContact CE1-CB 4.25Å; F80-I112 HydrophobicContact CE1-CG1 4.5Å; F80-I112 HydrophobicContact CE2-CG1 4.49Å; F80-I112 HydrophobicContact CZ-CG1 3.74Å; F80-H115 HydrophobicContact CD1-CB 4.38Å; F80-H115 HydrophobicContact CE1-CB 4.01Å
81R69.1Low69.7Low126 Ų12666.8 Ų66.848%0.47536%0.362SS..Hα-helixtrans-54-41.4175.9-75.4173.4176.6-167.9-6.2114C77 T78 I79 S84 E114 H115C77-R81 WeakPolarHBondContact O-CG 3.46Å; C77-R81 PolarHBondContact O-N 3.46Å; C77-R81 VanDerWaalsContact O-N 3.16Å; T78-R81 WeakPolarHBondContact O-CB 3.36Å; I79-R81 VanDerWaalsContact C-N 3.32Å; I79-R81 PolarHBondContact O-N 3.41Å; R81-S84 PolarHBondContact O-OG 2.97Å; R81-E114 IonicContact NH2-OE1 3.29Å; R81-H115 WeakPolarHBondContact CG-CD2 3.38Å; R81-H115 WeakPolarHBondContact CG-NE2 3.49Å; R81-H115 PolarHBondContact NE-NE2 3.2Å; R81-H115 PolarHBondContact NH2-NE2 2.83Å
82S71.6Confident71.3Confident84 Ų8466.3 Ų66.359%0.58736%0.359SS*.Hα-helixtrans-69.4-42.6179.6-1730000111.1T78 I79 F80T78-S82 PolarHBondContact O-N 3.47Å; I79-S82 PolarHBondContact O-N 3.06Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 2.97Å
83Y72.4Confident73.4Confident55 Ų5563.4 Ų63.422%0.21633%0.328CS..Hα-helixtrans-79.1-29.7-176.9-63.1-51.5000113.7K16 W68 T70 I79 F80 R85K16-Y83 VanDerWaalsContact CE-O 3.27Å; K16-Y83 WeakPolarHBondContact CE-O 3.49Å; K16-Y83 PolarHBondContact NZ-O 2.81Å; W68-Y83 HydrophobicContact CD2-CD1 4.05Å; W68-Y83 HydrophobicContact CD2-CE1 4.42Å; W68-Y83 AromaticContact CE3-CD1 3.44Å; W68-Y83 HydrophobicContact CE3-CD1 3.44Å; W68-Y83 VanDerWaalsContact CE3-CD1 3.44Å; W68-Y83 AromaticContact CE3-CE1 3.4Å; W68-Y83 HydrophobicContact CE3-CE1 3.4Å; W68-Y83 HydrophobicContact CE3-CG 4.3Å; W68-Y83 HydrophobicContact CH2-CE1 4.28Å; W68-Y83 AromaticContact CZ3-CD1 3.72Å; W68-Y83 HydrophobicContact CZ3-CD1 3.72Å; W68-Y83 AromaticContact CZ3-CE1 3.32Å; W68-Y83 HydrophobicContact CZ3-CE1 3.32Å; T70-Y83 HydrophobicContact CG2-CD2 4Å; T70-Y83 HydrophobicContact CG2-CG 4.26Å; I79-Y83 HydrophobicContact CG2-CD2 3.58Å; I79-Y83 HydrophobicContact CG2-CE2 3.22Å; I79-Y83 WeakPolarHBondContact O-CD2 3.44Å; I79-Y83 PolarHBondContact O-N 2.86Å; F80-Y83 PolarHBondContact O-N 2.78Å; F80-Y83 VanDerWaalsContact O-N 3.15Å; Y83-R85 PolarHBondContact O-N 2.88Å
84S75.1Confident75.8Confident7 Ų757.9 Ų57.95%0.04930%0.303CS..Hα-helixtrans-61.3-28.3177.478.50000112.8F80 R81 G86 A87 H115F80-S84 VanDerWaalsContact O-CB 3.28Å; F80-S84 WeakPolarHBondContact O-CB 3.3Å; F80-S84 PolarHBondContact O-N 2.65Å; R81-S84 PolarHBondContact O-OG 2.97Å; S84-G86 PolarHBondContact O-N 2.76Å; S84-G86 VanDerWaalsContact O-N 3.12Å; S84-A87 VanDerWaalsContact O-CB 3.32Å; S84-A87 WeakPolarHBondContact O-CB 3.38Å; S84-A87 PolarHBondContact O-N 3.47Å; S84-H115 PolarHBondContact OG-O 3.2Å
85R81.4Confident78.1Confident212 Ų21254.5 Ų54.580%0.827%0.267SS*.THydrogen-bonded Turntrans-61.9117.7177.4-172.7173.9170.2791.6110.8K16 Y83 A87K16-R85 PolarHBondContact NZ-O 2.86Å; Y83-R85 PolarHBondContact O-N 2.88Å; R85-A87 VanDerWaalsContact C-N 3.25Å; R85-A87 PolarHBondContact O-N 2.83Å
86G83.8Confident80.4Confident56 Ų5644.1 Ų44.158%0.57723%0.228SC*.THydrogen-bonded Turntrans74.411.9-179.600000114.2S84 Q88S84-G86 PolarHBondContact O-N 2.76Å; S84-G86 VanDerWaalsContact O-N 3.12Å; G86-Q88 PolarHBondContact O-N 2.95Å
87A90.1Very high82.7Confident8 Ų839.8 Ų39.87%0.06621%0.21CC..  trans-61.8131.8167.800000109.6L18 S84 R85 V119L18-A87 HydrophobicContact CD1-CB 3.59Å; L18-A87 HydrophobicContact CD2-CB 4.48Å; L18-A87 HydrophobicContact CG-CB 3.73Å; S84-A87 VanDerWaalsContact O-CB 3.32Å; S84-A87 WeakPolarHBondContact O-CB 3.38Å; S84-A87 PolarHBondContact O-N 3.47Å; R85-A87 VanDerWaalsContact C-N 3.25Å; R85-A87 PolarHBondContact O-N 2.83Å; A87-V119 WeakPolarHBondContact O-CG2 3.43Å
88Q93.1Very high84.8Confident53 Ų5339.9 Ų39.925%0.24821%0.208CC..  trans-104.8-23.4-178.8-65.9167.9-83.200111.8L15 K16 G86 P120 V174L15-Q88 VanDerWaalsContact CA-OE1 3.3Å; K16-Q88 PolarHBondContact O-N 3.38Å; G86-Q88 PolarHBondContact O-N 2.95Å; Q88-P120 WeakPolarHBondContact O-CD 3.45Å; Q88-V174 HydrophobicContact CB-CG1 3.81Å; Q88-V174 WeakPolarHBondContact O-CG2 3.38Å
89G94.5Very high86.9Confident0 Ų039.4 Ų39.40%020%0.195CC..EExtended strand (participates in β ladder)trans-151153.117500000111.3K16 F17 L18 P120K16-G89 PolarHBondContact O-N 3.4Å; F17-G89 VanDerWaalsContact CA-O 3.23Å; F17-G89 WeakPolarHBondContact CA-O 3.32Å; L18-G89 PolarHBondContact N-O 3.43Å; L18-G89 VanDerWaalsContact N-O 3.08Å; G89-P120 CarbonylContact C-O 3.58Å; G89-P120 WeakPolarHBondContact CA-O 3.32Å
90I94.4Very high88.5Confident0 Ų046.8 Ų46.80%022%0.22CC..EExtended strand (participates in β ladder)trans-131.5133.1-177-60.6169000110.3L18 V20 L92 I112 A116 V119 P120 R121 I122L18-I90 HydrophobicContact CB-CG1 4.41Å; L18-I90 CarbonylContact O-C 3.57Å; L18-I90 WeakPolarHBondContact O-CA 3.45Å; V20-I90 HydrophobicContact CB-CG2 4.23Å; V20-I90 HydrophobicContact CG2-CG2 3.69Å; I90-L92 HydrophobicContact CG2-CG 4.5Å; I90-I112 HydrophobicContact CD1-CB 4.38Å; I90-I112 HydrophobicContact CD1-CD1 4.24Å; I90-I112 HydrophobicContact CD1-CG1 4.01Å; I90-I112 HydrophobicContact CD1-CG2 3.48Å; I90-I112 VanDerWaalsContact CD1-CG2 3.48Å; I90-I112 HydrophobicContact CG2-CD1 3.81Å; I90-A116 HydrophobicContact CD1-CB 4.31Å; I90-V119 HydrophobicContact CD1-CB 4.09Å; I90-V119 HydrophobicContact CD1-CG1 3.8Å; I90-V119 HydrophobicContact CG1-CG1 3.8Å; I90-P120 PolarHBondContact N-O 2.96Å; I90-R121 HydrophobicContact CB-CB 4.13Å; I90-R121 WeakPolarHBondContact O-CA 3.43Å; I90-I122 PolarHBondContact O-N 2.81Å
91L95.8Very high89.8Confident0 Ų046.5 Ų46.50%022%0.218CC..EExtended strand (participates in β ladder)trans-102.3114.8169.4-62.689.3000108.2F17 L18 L19 V20 V93 I122 V124 F167 L170F17-L91 HydrophobicContact CB-CD1 4.07Å; F17-L91 HydrophobicContact CD2-CD1 4.25Å; F17-L91 HydrophobicContact CG-CD1 4.45Å; L18-L91 PolarHBondContact O-N 3.31Å; L19-L91 HydrophobicContact CD1-CD1 4.15Å; L19-L91 HydrophobicContact CG-CB 4.28Å; L19-L91 HydrophobicContact CG-CD1 4.41Å; V20-L91 PolarHBondContact N-O 2.87Å; L91-V93 HydrophobicContact CB-CG2 4.29Å; L91-I122 HydrophobicContact CD2-CD1 4.16Å; L91-I122 HydrophobicContact CG-CD1 4.14Å; L91-I122 HydrophobicContact CG-CG1 4.11Å; L91-V124 HydrophobicContact CB-CG2 4.47Å; L91-V124 HydrophobicContact CD2-CG2 4.3Å; L91-F167 HydrophobicContact CD1-CD1 4.04Å; L91-F167 HydrophobicContact CD1-CE1 3.63Å; L91-F167 HydrophobicContact CD2-CD1 3.88Å; L91-F167 HydrophobicContact CD2-CE1 3.45Å; L91-F167 VanDerWaalsContact CD2-CE1 3.45Å; L91-F167 HydrophobicContact CD2-CE2 4.23Å; L91-F167 HydrophobicContact CD2-CG 4.44Å; L91-F167 HydrophobicContact CD2-CZ 3.64Å; L91-F167 HydrophobicContact CG-CE1 4.23Å; L91-L170 HydrophobicContact CD1-CD2 3.52Å; L91-L170 HydrophobicContact CG-CD2 3.9Å
92L95.4Very high91.1Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-88.5108.6172.5-80168.1000108.9V20 I90 I105 W108 I109 I112 R121 I122 L123 V124 M150V20-L92 HydrophobicContact CB-CD2 4.16Å; V20-L92 HydrophobicContact CG1-CD2 4.13Å; V20-L92 CarbonylContact O-C 3.59Å; V20-L92 WeakPolarHBondContact O-CA 3.24Å; I90-L92 HydrophobicContact CG2-CG 4.5Å; L92-I105 HydrophobicContact CB-CD1 4.39Å; L92-I105 HydrophobicContact CD1-CG2 4.33Å; L92-W108 HydrophobicContact CD2-CB 3.68Å; L92-I109 HydrophobicContact CD1-CD1 4.46Å; L92-I109 HydrophobicContact CD1-CG1 3.81Å; L92-I112 HydrophobicContact CD1-CD1 4.16Å; L92-I112 HydrophobicContact CD2-CD1 3.62Å; L92-I112 HydrophobicContact CG-CD1 4.02Å; L92-R121 HydrophobicContact CD1-CB 4.46Å; L92-I122 PolarHBondContact N-O 2.78Å; L92-L123 HydrophobicContact CB-CD1 4.16Å; L92-V124 PolarHBondContact O-N 2.59Å; L92-M150 HydrophobicContact CD1-CE 4.37Å; L92-M150 HydrophobicContact CD1-SD 3.65Å
93V96.1Very high92.2Very high0 Ų040.5 Ų40.50%019%0.189CC..EExtended strand (participates in β ladder)trans-107129.4-171.7-170.80000110.6V20 G21 V25 K27 I30 L91 V124 N126V20-V93 PolarHBondContact O-N 3.21Å; G21-V93 WeakPolarHBondContact CA-O 3.41Å; V25-V93 HydrophobicContact CB-CG1 4.39Å; V25-V93 HydrophobicContact CG2-CB 4.07Å; V25-V93 HydrophobicContact CG2-CG1 3.84Å; K27-V93 HydrophobicContact CD-CB 4.41Å; K27-V93 HydrophobicContact CG-CB 3.8Å; K27-V93 HydrophobicContact CG-CG1 4.08Å; K27-V93 HydrophobicContact CG-CG2 3.85Å; I30-V93 HydrophobicContact CD1-CG1 3.72Å; I30-V93 HydrophobicContact CD1-CG2 4.17Å; L91-V93 HydrophobicContact CB-CG2 4.29Å; V93-V124 WeakPolarHBondContact CA-O 3.41Å; V93-V124 HydrophobicContact CG2-CB 4.31Å; V93-N126 HydrophobicContact CG1-CB 4.04Å
94Y97.2Very high93.1Very high0 Ų038.7 Ų38.70%019%0.187CC..EExtended strand (participates in β ladder)trans-128.7164.7167.275.1-82.7000109.9I96 F102 L123 V124 G125 N126 V136 A141 F152Y94-I96 HydrophobicContact CE2-CG2 3.98Å; Y94-F102 AromaticContact CD1-CD2 3.95Å; Y94-F102 HydrophobicContact CD1-CD2 3.95Å; Y94-F102 HydrophobicContact CD2-CB 3.78Å; Y94-F102 AromaticContact CD2-CD2 3.83Å; Y94-F102 HydrophobicContact CD2-CD2 3.83Å; Y94-F102 HydrophobicContact CD2-CG 4.27Å; Y94-F102 AromaticContact CE1-CD2 3.9Å; Y94-F102 HydrophobicContact CE1-CD2 3.9Å; Y94-F102 HydrophobicContact CE1-CE2 4.29Å; Y94-F102 HydrophobicContact CE2-CB 4.3Å; Y94-F102 AromaticContact CE2-CD2 3.79Å; Y94-F102 HydrophobicContact CE2-CD2 3.79Å; Y94-F102 HydrophobicContact CE2-CG 4.42Å; Y94-F102 HydrophobicContact CG-CB 4.18Å; Y94-F102 AromaticContact CG-CD2 3.92Å; Y94-F102 HydrophobicContact CG-CD2 3.92Å; Y94-F102 AromaticContact CZ-CD2 3.84Å; Y94-L123 HydrophobicContact CD1-CD1 3.86Å; Y94-L123 HydrophobicContact CD1-CG 4.25Å; Y94-L123 HydrophobicContact CE1-CD1 4.09Å; Y94-L123 HydrophobicContact CE1-CD2 4.24Å; Y94-L123 HydrophobicContact CE1-CG 3.97Å; Y94-V124 VanDerWaalsContact CD1-O 3.31Å; Y94-V124 WeakPolarHBondContact CD1-O 3.38Å; Y94-V124 PolarHBondContact N-O 3.42Å; Y94-G125 VanDerWaalsContact CE1-CA 3.4Å; Y94-N126 PolarHBondContact O-N 2.7Å; Y94-V136 HydrophobicContact CD2-CG2 4.42Å; Y94-V136 HydrophobicContact CE2-CB 4.01Å; Y94-V136 HydrophobicContact CE2-CG1 3.92Å; Y94-V136 HydrophobicContact CE2-CG2 4.12Å; Y94-A141 HydrophobicContact CE1-CB 4.44Å; Y94-A141 WeakPolarHBondContact OH-CB 3.49Å; Y94-F152 HydrophobicContact CE1-CE2 4.09Å; Y94-F152 WeakPolarHBondContact OH-CE2 3.44Å
95D97.4Very high94Very high4 Ų438.3 Ų38.32%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-98.9125174.7175.1-2.3000109.8V25 T97 N98 S101 R127V25-D95 HydrophobicContact CB-CB 4.35Å; V25-D95 HydrophobicContact CG1-CB 4.44Å; D95-T97 PolarHBondContact O-N 3.43Å; D95-T97 VanDerWaalsContact O-N 3.12Å; D95-T97 WeakPolarHBondContact OD1-CB 3.23Å; D95-T97 PolarHBondContact OD1-N 3.16Å; D95-T97 PolarHBondContact OD1-OG1 3.31Å; D95-T97 PolarHBondContact OD2-OG1 3.21Å; D95-N98 HydrophobicContact CB-CB 4.12Å; D95-N98 PolarHBondContact O-N 2.85Å; D95-S101 PolarHBondContact N-OG 2.79Å; D95-S101 PolarHBondContact O-OG 3.01Å; D95-R127 WeakPolarHBondContact OD2-CD 3.4Å; D95-R127 IonicContact OD2-CZ 3.2Å; D95-R127 IonicContact OD2-NE 2.8Å; D95-R127 IonicContact OD2-NH1 3.65Å; D95-R127 PolarHBondContact OD2-NH1 2.94Å
96I98.2Very high94.5Very high0 Ų031.8 Ų31.80%017%0.165CC..THydrogen-bonded Turntrans-62.4-21.2-179.769.5168.6000113.3Y94 N126 L128 A131 Q135 V136Y94-I96 HydrophobicContact CE2-CG2 3.98Å; I96-N126 WeakPolarHBondContact CG1-O 3.37Å; I96-N126 WeakPolarHBondContact CG2-O 3.46Å; I96-N126 PolarHBondContact N-O 3.37Å; I96-L128 HydrophobicContact CD1-CD1 4.2Å; I96-A131 HydrophobicContact CD1-CB 4.44Å; I96-Q135 PolarHBondContact O-N 3.41Å; I96-V136 PolarHBondContact O-N 3.45Å; I96-V136 VanDerWaalsContact O-N 3.16Å
97T97.9Very high94.8Very high23 Ų2335.9 Ų35.914%0.14116%0.163CC..THydrogen-bonded Turntrans-90.3-2.8178.674.30000113D95 L130 K133 Q135D95-T97 PolarHBondContact O-N 3.43Å; D95-T97 VanDerWaalsContact O-N 3.12Å; D95-T97 WeakPolarHBondContact OD1-CB 3.23Å; D95-T97 PolarHBondContact OD1-N 3.16Å; D95-T97 PolarHBondContact OD1-OG1 3.31Å; D95-T97 PolarHBondContact OD2-OG1 3.21Å; T97-L130 HydrophobicContact CG2-CB 3.52Å; T97-L130 HydrophobicContact CG2-CD1 4.18Å; T97-K133 HydrophobicContact CG2-CB 4.15Å; T97-Q135 VanDerWaalsContact O-CG 3.27Å; T97-Q135 WeakPolarHBondContact O-CG 3.22Å; T97-Q135 PolarHBondContact O-NE2 3.45Å; T97-Q135 PolarHBondContact O-OE1 3.37Å
98N96.4Very high94.8Very high56 Ų5637.4 Ų37.430%0.29917%0.167SC..  trans-129.8101.1-179.8-177.7-3.7000111.1D95 W100 S101D95-N98 HydrophobicContact CB-CB 4.12Å; D95-N98 PolarHBondContact O-N 2.85Å; N98-W100 VanDerWaalsContact C-N 3.28Å; N98-W100 PolarHBondContact O-N 3.21Å; N98-W100 WeakPolarHBondContact OD1-CB 3.14Å; N98-W100 PolarHBondContact OD1-N 3.15Å; N98-W100 VanDerWaalsContact OD1-N 3.14Å; N98-S101 PolarHBondContact O-N 2.83Å; N98-S101 VanDerWaalsContact O-N 3.17Å; N98-S101 PolarHBondContact O-OG 2.85Å
99R96.1Very high94.7Very high85 Ų8535.6 Ų35.632%0.32116%0.159SC..Hα-helixtrans-59.1-36.8-179.1179.255.7-178.4-95.7-4.8113.6S101 F102 D103 Q135 Q140R99-S101 PolarHBondContact O-N 3.44Å; R99-F102 WeakPolarHBondContact O-CB 3.27Å; R99-F102 PolarHBondContact O-N 3.27Å; R99-F102 VanDerWaalsContact O-N 3.07Å; R99-D103 IonicContact CZ-OD1 3.69Å; R99-D103 IonicContact NE-OD1 2.89Å; R99-D103 PolarHBondContact NE-OD1 3.37Å; R99-D103 IonicContact NE-OD2 3.43Å; R99-D103 PolarHBondContact NE-OD2 2.98Å; R99-D103 IonicContact NH2-OD1 3.57Å; R99-D103 PolarHBondContact O-N 3.03Å; R99-Q135 HydrophobicContact CB-CB 4.14Å; R99-Q135 VanDerWaalsContact N-OE1 3.16Å; R99-Q140 VanDerWaalsContact NH2-NE2 3.13Å
100W94.9Very high94.5Very high207 Ų20743.9 Ų43.978%0.78419%0.19SC*.Hα-helixtrans-60.7-36.4-179.9-63.693.7000112.2N98 F102 D103 G104N98-W100 VanDerWaalsContact C-N 3.28Å; N98-W100 PolarHBondContact O-N 3.21Å; N98-W100 WeakPolarHBondContact OD1-CB 3.14Å; N98-W100 PolarHBondContact OD1-N 3.15Å; N98-W100 VanDerWaalsContact OD1-N 3.14Å; W100-F102 VanDerWaalsContact C-N 3.28Å; W100-F102 PolarHBondContact O-N 3.44Å; W100-D103 PolarHBondContact O-N 3.4Å; W100-G104 PolarHBondContact O-N 3.37Å
101S94.6Very high94.1Very high0 Ų045.4 Ų45.40%020%0.198CC..Hα-helixtrans-65.5-32177.674.40000112.9D95 N98 R99D95-S101 PolarHBondContact N-OG 2.79Å; D95-S101 PolarHBondContact O-OG 3.01Å; N98-S101 PolarHBondContact O-N 2.83Å; N98-S101 VanDerWaalsContact O-N 3.17Å; N98-S101 PolarHBondContact O-OG 2.85Å; R99-S101 PolarHBondContact O-N 3.44Å
102F97.2Very high93.8Very high8 Ų845.5 Ų45.54%0.03520%0.198CC..Hα-helixtrans-74.9-44.3175.6179.6-99.8000111.4Y94 R99 W100 G104 I105 L123 V136 Q140 A141 Y144Y94-F102 AromaticContact CD1-CD2 3.95Å; Y94-F102 HydrophobicContact CD1-CD2 3.95Å; Y94-F102 HydrophobicContact CD2-CB 3.78Å; Y94-F102 AromaticContact CD2-CD2 3.83Å; Y94-F102 HydrophobicContact CD2-CD2 3.83Å; Y94-F102 HydrophobicContact CD2-CG 4.27Å; Y94-F102 AromaticContact CE1-CD2 3.9Å; Y94-F102 HydrophobicContact CE1-CD2 3.9Å; Y94-F102 HydrophobicContact CE1-CE2 4.29Å; Y94-F102 HydrophobicContact CE2-CB 4.3Å; Y94-F102 AromaticContact CE2-CD2 3.79Å; Y94-F102 HydrophobicContact CE2-CD2 3.79Å; Y94-F102 HydrophobicContact CE2-CG 4.42Å; Y94-F102 HydrophobicContact CG-CB 4.18Å; Y94-F102 AromaticContact CG-CD2 3.92Å; Y94-F102 HydrophobicContact CG-CD2 3.92Å; Y94-F102 AromaticContact CZ-CD2 3.84Å; R99-F102 WeakPolarHBondContact O-CB 3.27Å; R99-F102 PolarHBondContact O-N 3.27Å; R99-F102 VanDerWaalsContact O-N 3.07Å; W100-F102 VanDerWaalsContact C-N 3.28Å; W100-F102 PolarHBondContact O-N 3.44Å; F102-G104 PolarHBondContact O-N 3.28Å; F102-I105 VanDerWaalsContact O-CB 3.31Å; F102-I105 WeakPolarHBondContact O-CB 3.36Å; F102-I105 VanDerWaalsContact O-CG1 3.3Å; F102-I105 WeakPolarHBondContact O-CG1 3.28Å; F102-I105 PolarHBondContact O-N 3.16Å; F102-I105 VanDerWaalsContact O-N 3.07Å; F102-L123 HydrophobicContact CE2-CD2 4.23Å; F102-V136 HydrophobicContact CB-CG1 4.37Å; F102-V136 HydrophobicContact CB-CG2 3.76Å; F102-V136 HydrophobicContact CD1-CG1 4.15Å; F102-V136 HydrophobicContact CD2-CG1 3.96Å; F102-V136 HydrophobicContact CE1-CG1 4.45Å; F102-V136 HydrophobicContact CE2-CG1 4.27Å; F102-V136 HydrophobicContact CG-CG1 3.89Å; F102-V136 HydrophobicContact CG-CG2 4.18Å; F102-Q140 HydrophobicContact CE1-CG 4.39Å; F102-A141 HydrophobicContact CE2-CB 3.76Å; F102-A141 HydrophobicContact CZ-CB 4.26Å; F102-Y144 HydrophobicContact CE2-CD1 4.3Å; F102-Y144 HydrophobicContact CE2-CG 4.45Å; F102-Y144 HydrophobicContact CZ-CD1 4.11Å; F102-Y144 HydrophobicContact CZ-CD2 4.3Å; F102-Y144 AromaticContact CZ-CG 3.81Å; F102-Y144 HydrophobicContact CZ-CG 3.81Å
103D94.4Very high93.6Very high77 Ų7749 Ų4941%0.41222%0.216SC..Hα-helixtrans-64.2-26.1176.7-61.7-24.8000111.4R99 W100 I105R99-D103 IonicContact CZ-OD1 3.69Å; R99-D103 IonicContact NE-OD1 2.89Å; R99-D103 PolarHBondContact NE-OD1 3.37Å; R99-D103 IonicContact NE-OD2 3.43Å; R99-D103 PolarHBondContact NE-OD2 2.98Å; R99-D103 IonicContact NH2-OD1 3.57Å; R99-D103 PolarHBondContact O-N 3.03Å; W100-D103 PolarHBondContact O-N 3.4Å; D103-I105 VanDerWaalsContact C-N 3.28Å; D103-I105 PolarHBondContact O-N 3.15Å
104G91.4Very high93.2Very high16 Ų1654.8 Ų54.817%0.16524%0.244CC..THydrogen-bonded Turntrans-68.6-16173.200000115.4W100 F102 D106 R107 W108W100-G104 PolarHBondContact O-N 3.37Å; F102-G104 PolarHBondContact O-N 3.28Å; G104-D106 VanDerWaalsContact C-N 3.29Å; G104-D106 PolarHBondContact O-N 3.17Å; G104-R107 WeakPolarHBondContact O-CB 3.46Å; G104-R107 PolarHBondContact O-N 3.01Å; G104-R107 VanDerWaalsContact O-N 3.13Å; G104-W108 VanDerWaalsContact O-CD1 3.23Å; G104-W108 PolarHBondContact O-N 2.84Å
105I93.3Very high92.6Very high0 Ų056.6 Ų56.60%025%0.252CS..Hα-helixtrans-61.6-35-176.8-65.4-63.2000112.4L92 F102 D103 R107 W108 I109 L123 Y144L92-I105 HydrophobicContact CB-CD1 4.39Å; L92-I105 HydrophobicContact CD1-CG2 4.33Å; F102-I105 VanDerWaalsContact O-CB 3.31Å; F102-I105 WeakPolarHBondContact O-CB 3.36Å; F102-I105 VanDerWaalsContact O-CG1 3.3Å; F102-I105 WeakPolarHBondContact O-CG1 3.28Å; F102-I105 PolarHBondContact O-N 3.16Å; F102-I105 VanDerWaalsContact O-N 3.07Å; D103-I105 VanDerWaalsContact C-N 3.28Å; D103-I105 PolarHBondContact O-N 3.15Å; I105-R107 PolarHBondContact O-N 3.06Å; I105-W108 PolarHBondContact O-N 3.46Å; I105-I109 HydrophobicContact CG2-CD1 3.97Å; I105-I109 HydrophobicContact CG2-CG1 4.16Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 3.12Å; I105-L123 HydrophobicContact CD1-CD1 4.31Å; I105-L123 HydrophobicContact CG1-CD1 4.24Å; I105-L123 HydrophobicContact CG2-CD1 4.16Å; I105-Y144 HydrophobicContact CG2-CE1 3.87Å
106D92.3Very high92.1Very high74 Ų7456.8 Ų56.840%0.39625%0.254SS..Hα-helixtrans-57.9-37.1177.4-79-18.9000112.3G104 R110 Y144G104-D106 VanDerWaalsContact C-N 3.29Å; G104-D106 PolarHBondContact O-N 3.17Å; D106-R110 WeakPolarHBondContact O-CG 3.45Å; D106-R110 PolarHBondContact O-N 2.91Å; D106-Y144 WeakPolarHBondContact OD1-CE2 3.39Å; D106-Y144 PolarHBondContact OD1-OH 3.28Å
107R90.5Very high91.6Very high143 Ų14361.3 Ų61.354%0.5428%0.283SS..Hα-helixtrans-65.1-45.4176179.8-173.3173.6-177-1.3110.5G104 I105 R110 E111G104-R107 WeakPolarHBondContact O-CB 3.46Å; G104-R107 PolarHBondContact O-N 3.01Å; G104-R107 VanDerWaalsContact O-N 3.13Å; I105-R107 PolarHBondContact O-N 3.06Å; R107-R110 PolarHBondContact O-N 3.09Å; R107-E111 WeakPolarHBondContact O-CG 3.42Å; R107-E111 PolarHBondContact O-N 3.24Å; R107-E111 VanDerWaalsContact O-N 3.14Å
108W90.1Very high91.1Very high39 Ų3963.2 Ų63.215%0.14831%0.307CS..Hα-helixtrans-65.7-37.5-179.9-66.6112.5000112.4V20 D22 L92 G104 I105 R110 E111 I112V20-W108 HydrophobicContact CG1-CB 3.91Å; V20-W108 HydrophobicContact CG1-CD2 3.59Å; V20-W108 HydrophobicContact CG1-CE3 3.29Å; V20-W108 HydrophobicContact CG1-CG 3.88Å; V20-W108 HydrophobicContact CG1-CZ3 4Å; D22-W108 PolarHBondContact OD1-NE1 3.03Å; L92-W108 HydrophobicContact CD2-CB 3.68Å; G104-W108 VanDerWaalsContact O-CD1 3.23Å; G104-W108 PolarHBondContact O-N 2.84Å; I105-W108 PolarHBondContact O-N 3.46Å; W108-R110 VanDerWaalsContact C-N 3.33Å; W108-R110 PolarHBondContact O-N 3.35Å; W108-E111 PolarHBondContact O-N 3.04Å; W108-I112 WeakPolarHBondContact O-CD1 3.26Å; W108-I112 WeakPolarHBondContact O-CG1 3.34Å; W108-I112 PolarHBondContact O-N 3.45Å
109I91.2Very high90.9Very high15 Ų1561.6 Ų61.68%0.07730%0.3CS..Hα-helixtrans-58.5-45.9173.7-70.7176.5000110.9L92 I105 E111 I112 D113 Y144 M150L92-I109 HydrophobicContact CD1-CD1 4.46Å; L92-I109 HydrophobicContact CD1-CG1 3.81Å; I105-I109 HydrophobicContact CG2-CD1 3.97Å; I105-I109 HydrophobicContact CG2-CG1 4.16Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 3.12Å; I109-E111 PolarHBondContact O-N 3.23Å; I109-I112 PolarHBondContact O-N 3.4Å; I109-D113 VanDerWaalsContact O-CG 3.26Å; I109-D113 PolarHBondContact O-N 2.99Å; I109-Y144 HydrophobicContact CD1-CE1 4.33Å; I109-Y144 VanDerWaalsContact CD1-OH 3.29Å; I109-Y144 WeakPolarHBondContact CD1-OH 3.46Å; I109-M150 HydrophobicContact CD1-CE 3.93Å
110R90.5Very high90.8Very high175 Ų17558.1 Ų58.166%0.6629%0.288SS*.Hα-helixtrans-60.7-44.6177.8-68.3175.1-169.7152.86.5112.4D106 R107 W108 I112 D113 E114D106-R110 WeakPolarHBondContact O-CG 3.45Å; D106-R110 PolarHBondContact O-N 2.91Å; R107-R110 PolarHBondContact O-N 3.09Å; W108-R110 VanDerWaalsContact C-N 3.33Å; W108-R110 PolarHBondContact O-N 3.35Å; R110-I112 VanDerWaalsContact C-N 3.31Å; R110-I112 PolarHBondContact O-N 2.73Å; R110-D113 PolarHBondContact O-N 2.83Å; R110-E114 PolarHBondContact O-N 3.25Å
111E86.3Confident90.7Very high32 Ų3250.7 Ų50.715%0.1526%0.26CS..Hα-helixtrans-62.4-39.4177.3-69.6-76.2173.200111.8F80 R107 W108 I109 E114 H115F80-E111 HydrophobicContact CD1-CB 4.44Å; F80-E111 HydrophobicContact CE1-CB 4.25Å; R107-E111 WeakPolarHBondContact O-CG 3.42Å; R107-E111 PolarHBondContact O-N 3.24Å; R107-E111 VanDerWaalsContact O-N 3.14Å; W108-E111 PolarHBondContact O-N 3.04Å; I109-E111 PolarHBondContact O-N 3.23Å; E111-E114 PolarHBondContact O-N 2.92Å; E111-H115 PolarHBondContact O-N 3.4Å; E111-H115 VanDerWaalsContact O-N 3.11Å; E111-H115 PolarHBondContact O-ND1 3.26Å; E111-H115 IonicContact OE2-CE1 3.78Å; E111-H115 PolarHBondContact OE2-CE1 2.71Å; E111-H115 VanDerWaalsContact OE2-CE1 3.29Å; E111-H115 IonicContact OE2-ND1 2.65Å
112I88.5Confident90.9Very high1 Ų150.7 Ų50.71%0.00526%0.26CS..Hα-helixtrans-65.5-44.6175.2-67.4161.8000110.7F80 I90 L92 W108 I109 R110 E114 H115 A116 R121F80-I112 HydrophobicContact CE1-CG1 4.5Å; F80-I112 HydrophobicContact CE2-CG1 4.49Å; F80-I112 HydrophobicContact CZ-CG1 3.74Å; I90-I112 HydrophobicContact CD1-CB 4.38Å; I90-I112 HydrophobicContact CD1-CD1 4.24Å; I90-I112 HydrophobicContact CD1-CG1 4.01Å; I90-I112 HydrophobicContact CD1-CG2 3.48Å; I90-I112 VanDerWaalsContact CD1-CG2 3.48Å; I90-I112 HydrophobicContact CG2-CD1 3.81Å; L92-I112 HydrophobicContact CD1-CD1 4.16Å; L92-I112 HydrophobicContact CD2-CD1 3.62Å; L92-I112 HydrophobicContact CG-CD1 4.02Å; W108-I112 WeakPolarHBondContact O-CD1 3.26Å; W108-I112 WeakPolarHBondContact O-CG1 3.34Å; W108-I112 PolarHBondContact O-N 3.45Å; I109-I112 PolarHBondContact O-N 3.4Å; R110-I112 VanDerWaalsContact C-N 3.31Å; R110-I112 PolarHBondContact O-N 2.73Å; I112-E114 PolarHBondContact O-N 3.13Å; I112-H115 PolarHBondContact O-N 3.17Å; I112-A116 HydrophobicContact CG2-CB 4.46Å; I112-A116 CarbonylContact O-C 3.6Å; I112-A116 VanDerWaalsContact O-CA 3.31Å; I112-A116 WeakPolarHBondContact O-CA 3.48Å; I112-A116 PolarHBondContact O-N 3.26Å; I112-R121 VanDerWaalsContact CG2-NH1 3.3Å
113D90.3Very high90.9Very high73 Ų7350.3 Ų50.339%0.3926%0.258SS..Hα-helixtrans-64.5-31.6-179.1-69.8-18.8000112.1I109 R110 R121I109-D113 VanDerWaalsContact O-CG 3.26Å; I109-D113 PolarHBondContact O-N 2.99Å; R110-D113 PolarHBondContact O-N 2.83Å; D113-R121 IonicContact OD1-CZ 3.93Å; D113-R121 IonicContact OD1-NH1 3.93Å; D113-R121 PolarHBondContact OD1-NH1 3.5Å; D113-R121 IonicContact OD1-NH2 3.92Å; D113-R121 PolarHBondContact OD1-NH2 2.82Å; D113-R121 IonicContact OD2-NH2 2.69Å
114E88.4Confident91.1Very high123 Ų12346.7 Ų46.758%0.57524%0.239SC*.Hα-helixtrans-73.4-43.4175.1-172.6-179.8171.700112.6R81 R110 E111 I112R81-E114 IonicContact NH2-OE1 3.29Å; R110-E114 PolarHBondContact O-N 3.25Å; E111-E114 PolarHBondContact O-N 2.92Å; I112-E114 PolarHBondContact O-N 3.13Å
115H84.8Confident91.4Very high38 Ų3845.9 Ų45.918%0.17623%0.231CC..Hα-helixtrans-109.2-13.1-166.9-55.8100.8000115.6F80 R81 S84 E111 I112F80-H115 HydrophobicContact CD1-CB 4.38Å; F80-H115 HydrophobicContact CE1-CB 4.01Å; R81-H115 WeakPolarHBondContact CG-CD2 3.38Å; R81-H115 WeakPolarHBondContact CG-NE2 3.49Å; R81-H115 PolarHBondContact NE-NE2 3.2Å; R81-H115 PolarHBondContact NH2-NE2 2.83Å; S84-H115 PolarHBondContact OG-O 3.2Å; E111-H115 PolarHBondContact O-N 3.4Å; E111-H115 VanDerWaalsContact O-N 3.11Å; E111-H115 PolarHBondContact O-ND1 3.26Å; E111-H115 IonicContact OE2-CE1 3.78Å; E111-H115 PolarHBondContact OE2-CE1 2.71Å; E111-H115 VanDerWaalsContact OE2-CE1 3.29Å; E111-H115 IonicContact OE2-ND1 2.65Å; I112-H115 PolarHBondContact O-N 3.17Å
116A86.4Confident91.6Very high7 Ų745.9 Ų45.96%0.05823%0.231CC..SBendtrans-147.856.8179.100000111.1I90 I112 G118 V119I90-A116 HydrophobicContact CD1-CB 4.31Å; I112-A116 HydrophobicContact CG2-CB 4.46Å; I112-A116 CarbonylContact O-C 3.6Å; I112-A116 VanDerWaalsContact O-CA 3.31Å; I112-A116 WeakPolarHBondContact O-CA 3.48Å; I112-A116 PolarHBondContact O-N 3.26Å; A116-G118 PolarHBondContact O-N 3.05Å; A116-V119 HydrophobicContact CB-CB 4.41Å; A116-V119 HydrophobicContact CB-CG2 3.89Å; A116-V119 WeakPolarHBondContact O-CG2 3.43Å; A116-V119 PolarHBondContact O-N 2.8Å
117P88.1Confident91.9Very high95 Ų9543.9 Ų43.962%0.61722%0.218SC*.THydrogen-bonded Turntrans-61.2136.7-176.925.6-34.7000111.6V119P117-V119 VanDerWaalsContact C-N 3.26Å; P117-V119 PolarHBondContact O-N 2.99Å
118G88.2Confident92.2Very high63 Ų6338.8 Ų38.865%0.64920%0.201SC*.THydrogen-bonded Turntrans79-0.6175.700000115.4A116 R177A116-G118 PolarHBondContact O-N 3.05Å; G118-R177 PolarHBondContact O-NH1 2.83Å
119V92Very high92.4Very high23 Ų2339.8 Ų39.814%0.13921%0.208CC..  trans-69.1127.8174.91780000110A87 I90 A116 P117 R121A87-V119 WeakPolarHBondContact O-CG2 3.43Å; I90-V119 HydrophobicContact CD1-CB 4.09Å; I90-V119 HydrophobicContact CD1-CG1 3.8Å; I90-V119 HydrophobicContact CG1-CG1 3.8Å; A116-V119 HydrophobicContact CB-CB 4.41Å; A116-V119 HydrophobicContact CB-CG2 3.89Å; A116-V119 WeakPolarHBondContact O-CG2 3.43Å; A116-V119 PolarHBondContact O-N 2.8Å; P117-V119 VanDerWaalsContact C-N 3.26Å; P117-V119 PolarHBondContact O-N 2.99Å; V119-R121 PolarHBondContact O-N 2.73Å
120P93.4Very high92.7Very high12 Ų1241.2 Ų41.28%0.07822%0.215CC..  trans-52.6137.3172.4-28.434.6000112.9Q88 G89 I90 L170 I173 V174Q88-P120 WeakPolarHBondContact O-CD 3.45Å; G89-P120 CarbonylContact C-O 3.58Å; G89-P120 WeakPolarHBondContact CA-O 3.32Å; I90-P120 PolarHBondContact N-O 2.96Å; P120-L170 HydrophobicContact CB-CD1 4.06Å; P120-I173 HydrophobicContact CB-CG2 3.76Å; P120-I173 HydrophobicContact CG-CG2 4.06Å; P120-V174 HydrophobicContact CB-CG2 4Å; P120-V174 HydrophobicContact CG-CG2 3.9Å
121R93.8Very high93Very high50 Ų5035 Ų3519%0.18920%0.201CC..EExtended strand (participates in β ladder)trans-137146.1177.953.1-177.6160-143.3-8111.8I90 L92 I112 D113 V119 M150I90-R121 HydrophobicContact CB-CB 4.13Å; I90-R121 WeakPolarHBondContact O-CA 3.43Å; L92-R121 HydrophobicContact CD1-CB 4.46Å; I112-R121 VanDerWaalsContact CG2-NH1 3.3Å; D113-R121 IonicContact OD1-CZ 3.93Å; D113-R121 IonicContact OD1-NH1 3.93Å; D113-R121 PolarHBondContact OD1-NH1 3.5Å; D113-R121 IonicContact OD1-NH2 3.92Å; D113-R121 PolarHBondContact OD1-NH2 2.82Å; D113-R121 IonicContact OD2-NH2 2.69Å; V119-R121 PolarHBondContact O-N 2.73Å; R121-M150 HydrophobicContact CB-SD 4.5Å; R121-M150 HydrophobicContact CG-CG 4Å; R121-M150 HydrophobicContact CG-SD 3.8Å
122I97.5Very high93.5Very high0 Ų040.8 Ų40.80%023%0.226CC..EExtended strand (participates in β ladder)trans-122.1149.3172.461.2166.3000109.7I90 L91 L92 V124 T151 F153 S166 L170 I173I90-I122 PolarHBondContact O-N 2.81Å; L91-I122 HydrophobicContact CD2-CD1 4.16Å; L91-I122 HydrophobicContact CG-CD1 4.14Å; L91-I122 HydrophobicContact CG-CG1 4.11Å; L92-I122 PolarHBondContact N-O 2.78Å; I122-V124 HydrophobicContact CD1-CG2 3.97Å; I122-V124 HydrophobicContact CG1-CG2 4.15Å; I122-T151 CarbonylContact C-O 3.58Å; I122-T151 WeakPolarHBondContact CA-O 3.5Å; I122-T151 WeakPolarHBondContact CB-O 3.38Å; I122-F153 HydrophobicContact CD1-CD2 4.29Å; I122-S166 WeakPolarHBondContact CD1-O 3.35Å; I122-L170 HydrophobicContact CD1-CB 4.06Å; I122-L170 HydrophobicContact CG1-CB 4.4Å; I122-L170 HydrophobicContact CG1-CD2 4.4Å; I122-L170 HydrophobicContact CG2-CB 4.39Å; I122-L170 HydrophobicContact CG2-CD1 4.22Å; I122-I173 HydrophobicContact CG2-CD1 4.28Å
123L98.4Very high93.9Very high0 Ų046.9 Ų46.90%025%0.252CS..EExtended strand (participates in β ladder)trans-96.3130.4174.8-176.568000109.8L92 Y94 F102 I105 Y144 A145 M150 T151 F152 F153L92-L123 HydrophobicContact CB-CD1 4.16Å; Y94-L123 HydrophobicContact CD1-CD1 3.86Å; Y94-L123 HydrophobicContact CD1-CG 4.25Å; Y94-L123 HydrophobicContact CE1-CD1 4.09Å; Y94-L123 HydrophobicContact CE1-CD2 4.24Å; Y94-L123 HydrophobicContact CE1-CG 3.97Å; F102-L123 HydrophobicContact CE2-CD2 4.23Å; I105-L123 HydrophobicContact CD1-CD1 4.31Å; I105-L123 HydrophobicContact CG1-CD1 4.24Å; I105-L123 HydrophobicContact CG2-CD1 4.16Å; L123-Y144 HydrophobicContact CD2-CD1 3.95Å; L123-A145 HydrophobicContact CB-CB 4.21Å; L123-A145 HydrophobicContact CD2-CB 3.92Å; L123-M150 HydrophobicContact CB-CE 4.26Å; L123-T151 PolarHBondContact N-O 3.42Å; L123-F152 HydrophobicContact CB-CD2 4.18Å; L123-F152 HydrophobicContact CD2-CD2 3.92Å; L123-F152 HydrophobicContact CD2-CE2 4.35Å; L123-F152 HydrophobicContact CG-CD2 4.02Å; L123-F152 HydrophobicContact CG-CE2 4.47Å; L123-F152 WeakPolarHBondContact O-CA 3.38Å; L123-F153 PolarHBondContact O-N 3.29Å
124V98.3Very high94.3Very high1 Ų146.8 Ų46.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-127.3114.6-174.7179.30000110.1I30 L91 L92 V93 Y94 I122 F153 V155I30-V124 HydrophobicContact CD1-CG1 4.29Å; L91-V124 HydrophobicContact CB-CG2 4.47Å; L91-V124 HydrophobicContact CD2-CG2 4.3Å; L92-V124 PolarHBondContact O-N 2.59Å; V93-V124 WeakPolarHBondContact CA-O 3.41Å; V93-V124 HydrophobicContact CG2-CB 4.31Å; Y94-V124 VanDerWaalsContact CD1-O 3.31Å; Y94-V124 WeakPolarHBondContact CD1-O 3.38Å; Y94-V124 PolarHBondContact N-O 3.42Å; I122-V124 HydrophobicContact CD1-CG2 3.97Å; I122-V124 HydrophobicContact CG1-CG2 4.15Å; V124-F153 CarbonylContact C-O 3.47Å; V124-F153 VanDerWaalsContact CA-O 3.3Å; V124-F153 WeakPolarHBondContact CA-O 3.4Å; V124-V155 HydrophobicContact CG1-CB 4.26Å; V124-V155 HydrophobicContact CG1-CG1 3.78Å; V124-V155 HydrophobicContact CG1-CG2 3.43Å; V124-V155 VanDerWaalsContact CG1-CG2 3.43Å
125G98.1Very high94.7Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-89.5108.716900000110.6Y94 F153 E154 V155Y94-G125 VanDerWaalsContact CE1-CA 3.4Å; G125-F153 PolarHBondContact N-O 3.1Å; G125-E154 CarbonylContact O-C 3.44Å; G125-E154 VanDerWaalsContact O-CA 3.24Å; G125-E154 WeakPolarHBondContact O-CA 3.43Å; G125-V155 PolarHBondContact O-N 3.44Å
126N97.6Very high95.4Very high0 Ų044.3 Ų44.30%024%0.235CC..EExtended strand (participates in β ladder)trans-85.7169.3-179.2-16928.2000112.4V25 G26 I30 V93 Y94 I96 V155 P157V25-N126 WeakPolarHBondContact O-CB 3.47Å; V25-N126 PolarHBondContact O-ND2 3.37Å; G26-N126 WeakPolarHBondContact CA-ND2 3.47Å; G26-N126 PolarHBondContact O-ND2 2.73Å; I30-N126 HydrophobicContact CD1-CB 4.19Å; V93-N126 HydrophobicContact CG1-CB 4.04Å; Y94-N126 PolarHBondContact O-N 2.7Å; I96-N126 WeakPolarHBondContact CG1-O 3.37Å; I96-N126 WeakPolarHBondContact CG2-O 3.46Å; I96-N126 PolarHBondContact N-O 3.37Å; N126-V155 CarbonylContact C-O 3.13Å; N126-V155 HydrophobicContact CB-CG2 4.16Å; N126-P157 WeakPolarHBondContact OD1-CD 2.92Å; N126-P157 WeakPolarHBondContact OD1-CG 3Å
127R96.6Very high95.9Very high31 Ų3146.7 Ų46.712%0.11725%0.25CC..  trans64.838.2177.5-55.4-175176.9155.2-5.8113.4D24 E29 D95 H129 L130 V155D24-R127 PolarHBondContact O-NH1 2.95Å; D24-R127 VanDerWaalsContact O-NH1 3.08Å; D24-R127 PolarHBondContact O-NH2 3.01Å; D24-R127 VanDerWaalsContact O-NH2 3.14Å; D24-R127 IonicContact OD1-CZ 2.73Å; D24-R127 IonicContact OD1-NH1 3.67Å; D24-R127 IonicContact OD1-NH2 2.78Å; D24-R127 PolarHBondContact OD1-NH2 2.84Å; E29-R127 IonicContact OE1-CZ 2.97Å; E29-R127 IonicContact OE1-NE 2.67Å; E29-R127 PolarHBondContact OE1-NE 3.33Å; E29-R127 IonicContact OE1-NH2 3.63Å; E29-R127 PolarHBondContact OE1-NH2 3.27Å; E29-R127 IonicContact OE2-NE 3.78Å; D95-R127 WeakPolarHBondContact OD2-CD 3.4Å; D95-R127 IonicContact OD2-CZ 3.2Å; D95-R127 IonicContact OD2-NE 2.8Å; D95-R127 IonicContact OD2-NH1 3.65Å; D95-R127 PolarHBondContact OD2-NH1 2.94Å; R127-H129 PolarHBondContact O-N 3.46Å; R127-H129 VanDerWaalsContact O-N 3.1Å; R127-L130 HydrophobicContact CB-CD1 4.28Å; R127-L130 WeakPolarHBondContact O-CA 3.33Å; R127-L130 WeakPolarHBondContact O-CB 3.49Å; R127-L130 PolarHBondContact O-N 3.12Å; R127-V155 PolarHBondContact N-O 3.32Å
128L97.4Very high96.4Very high37 Ų3743.3 Ų43.319%0.19423%0.228CC..G310 helixtrans-56.2-28.3177.3-178.463000113.8I96 L130 A131 E154 V155 F161I96-L128 HydrophobicContact CD1-CD1 4.2Å; L128-L130 PolarHBondContact O-N 2.89Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L128-A131 HydrophobicContact CD1-CB 4.37Å; L128-A131 VanDerWaalsContact O-CB 3.3Å; L128-A131 WeakPolarHBondContact O-CB 3.26Å; L128-A131 PolarHBondContact O-N 2.83Å; L128-E154 HydrophobicContact CD1-CB 4.13Å; L128-E154 VanDerWaalsContact CD1-OE2 3.23Å; L128-E154 WeakPolarHBondContact CD1-OE2 3.42Å; L128-E154 HydrophobicContact CD2-CB 4.06Å; L128-E154 HydrophobicContact CG-CB 4.47Å; L128-V155 VanDerWaalsContact CB-O 3.28Å; L128-V155 WeakPolarHBondContact CB-O 3.13Å; L128-V155 PolarHBondContact N-O 2.86Å; L128-F161 HydrophobicContact CD2-CD1 3.63Å; L128-F161 HydrophobicContact CD2-CE1 3.69Å
129H95.6Very high96.8Very high60 Ų6046.5 Ų46.528%0.27823%0.226SC..G310 helixtrans-60.9-17172.257.1-86.1000113.9R127 S156 L158R127-H129 PolarHBondContact O-N 3.46Å; R127-H129 VanDerWaalsContact O-N 3.1Å; H129-S156 WeakPolarHBondContact CB-OG 3.43Å; H129-S156 PolarHBondContact ND1-OG 2.69Å; H129-L158 HydrophobicContact CB-CD2 4.21Å
130L96.9Very high97.1Very high45 Ų4548.6 Ų48.624%0.23623%0.234CC..G310 helixtrans-99.523.8173.7-58-179.3000113T97 R127 L128 F132 K133T97-L130 HydrophobicContact CG2-CB 3.52Å; T97-L130 HydrophobicContact CG2-CD1 4.18Å; R127-L130 HydrophobicContact CB-CD1 4.28Å; R127-L130 WeakPolarHBondContact O-CA 3.33Å; R127-L130 WeakPolarHBondContact O-CB 3.49Å; R127-L130 PolarHBondContact O-N 3.12Å; L128-L130 PolarHBondContact O-N 2.89Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L130-F132 HydrophobicContact CB-CE1 4.42Å; L130-F132 HydrophobicContact CD2-CE1 3.74Å; L130-F132 HydrophobicContact CD2-CZ 3.99Å; L130-F132 PolarHBondContact O-N 2.98Å; L130-K133 PolarHBondContact O-N 2.71Å
131A96.4Very high97.3Very high43 Ų4348 Ų4836%0.35523%0.23SC..G310 helixtrans-53.1-25.4-179.900000114.3I96 L128 K133 R134I96-A131 HydrophobicContact CD1-CB 4.44Å; L128-A131 HydrophobicContact CD1-CB 4.37Å; L128-A131 VanDerWaalsContact O-CB 3.3Å; L128-A131 WeakPolarHBondContact O-CB 3.26Å; L128-A131 PolarHBondContact O-N 2.83Å; A131-K133 PolarHBondContact O-N 3.08Å; A131-R134 WeakPolarHBondContact O-CB 3.36Å; A131-R134 PolarHBondContact O-N 2.96Å; A131-R134 VanDerWaalsContact O-N 3.16Å
132F96.7Very high97.5Very high155 Ų15551.3 Ų51.368%0.6824%0.242SC*.G310 helixtrans-67.4-17.5174.568.5-84.8000114.1L130L130-F132 HydrophobicContact CB-CE1 4.42Å; L130-F132 HydrophobicContact CD2-CE1 3.74Å; L130-F132 HydrophobicContact CD2-CZ 3.99Å; L130-F132 PolarHBondContact O-N 2.98Å
133K97.1Very high97.5Very high129 Ų12954 Ų5456%0.56126%0.264SS*.G310 helixtrans-106.417.5172.7-60-172179179.90112.7T97 L130 A131 Q135T97-K133 HydrophobicContact CG2-CB 4.15Å; L130-K133 PolarHBondContact O-N 2.71Å; A131-K133 PolarHBondContact O-N 3.08Å; K133-Q135 PolarHBondContact O-N 3.42Å
134R98.1Very high97.4Very high71 Ų7155.8 Ų55.827%0.26827%0.271SS..  trans-56.6129.8-175.2177.2-177.2-70.5-93.18.9111.4A131 V136 T138 E154A131-R134 WeakPolarHBondContact O-CB 3.36Å; A131-R134 PolarHBondContact O-N 2.96Å; A131-R134 VanDerWaalsContact O-N 3.16Å; R134-V136 VanDerWaalsContact CD-O 3.23Å; R134-V136 WeakPolarHBondContact CD-O 3.23Å; R134-V136 WeakPolarHBondContact CG-O 3.42Å; R134-V136 PolarHBondContact NH1-O 2.94Å; R134-T138 PolarHBondContact NH1-OG1 3.18Å; R134-T138 PolarHBondContact NH2-OG1 3.39Å; R134-E154 IonicContact CZ-OE1 3.39Å; R134-E154 IonicContact CZ-OE2 3.8Å; R134-E154 IonicContact NH1-OE1 2.7Å; R134-E154 PolarHBondContact NH1-OE1 2.91Å; R134-E154 IonicContact NH1-OE2 3.19Å; R134-E154 VanDerWaalsContact NH2-CD 3.34Å; R134-E154 IonicContact NH2-OE1 3.34Å; R134-E154 PolarHBondContact NH2-OE1 2.95Å; R134-E154 IonicContact NH2-OE2 3.73Å; R134-E154 PolarHBondContact NH2-OE2 3.11Å
135Q98.1Very high97.4Very high108 Ų10855.8 Ų55.851%0.50527%0.272SS..  trans-109.5-17.5171.9-62.2-173.812.800112.4I96 T97 R99 K133I96-Q135 PolarHBondContact O-N 3.41Å; T97-Q135 VanDerWaalsContact O-CG 3.27Å; T97-Q135 WeakPolarHBondContact O-CG 3.22Å; T97-Q135 PolarHBondContact O-NE2 3.45Å; T97-Q135 PolarHBondContact O-OE1 3.37Å; R99-Q135 HydrophobicContact CB-CB 4.14Å; R99-Q135 VanDerWaalsContact N-OE1 3.16Å; K133-Q135 PolarHBondContact O-N 3.42Å
136V97.9Very high97.3Very high0 Ų062.3 Ų62.30%030%0.302CS..SBendtrans-112.7109.2177.6-173.70000109.4Y94 I96 F102 R134 A141Y94-V136 HydrophobicContact CD2-CG2 4.42Å; Y94-V136 HydrophobicContact CE2-CB 4.01Å; Y94-V136 HydrophobicContact CE2-CG1 3.92Å; Y94-V136 HydrophobicContact CE2-CG2 4.12Å; I96-V136 PolarHBondContact O-N 3.45Å; I96-V136 VanDerWaalsContact O-N 3.16Å; F102-V136 HydrophobicContact CB-CG1 4.37Å; F102-V136 HydrophobicContact CB-CG2 3.76Å; F102-V136 HydrophobicContact CD1-CG1 4.15Å; F102-V136 HydrophobicContact CD2-CG1 3.96Å; F102-V136 HydrophobicContact CE1-CG1 4.45Å; F102-V136 HydrophobicContact CE2-CG1 4.27Å; F102-V136 HydrophobicContact CG-CG1 3.89Å; F102-V136 HydrophobicContact CG-CG2 4.18Å; R134-V136 VanDerWaalsContact CD-O 3.23Å; R134-V136 WeakPolarHBondContact CD-O 3.23Å; R134-V136 WeakPolarHBondContact CG-O 3.42Å; R134-V136 PolarHBondContact NH1-O 2.94Å; V136-A141 HydrophobicContact CG1-CB 4.19Å
137P98Very high97.2Very high58 Ų5871 Ų7138%0.37734%0.34SS..  trans-57.6137.6173.3-24.634.4000112E139 Q140 A141P137-E139 PolarHBondContact O-N 3.28Å; P137-Q140 HydrophobicContact CB-CB 4.14Å; P137-Q140 WeakPolarHBondContact O-CB 3.07Å; P137-Q140 PolarHBondContact O-N 3.18Å; P137-Q140 VanDerWaalsContact O-N 3.12Å; P137-A141 PolarHBondContact O-N 3.46Å
138T97.5Very high97.1Very high24 Ų2472.4 Ų72.415%0.14735%0.349CS..Hα-helixtrans-57.8-40.3179.9-59.60000111.4R134 Q140 A141 R142 F152 E154R134-T138 PolarHBondContact NH1-OG1 3.18Å; R134-T138 PolarHBondContact NH2-OG1 3.39Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 3.41Å; T138-A141 PolarHBondContact O-N 2.71Å; T138-R142 WeakPolarHBondContact O-CB 3.39Å; T138-R142 PolarHBondContact O-N 3.37Å; T138-F152 HydrophobicContact CG2-CE1 3.95Å; T138-E154 PolarHBondContact OG1-OE1 3.15Å; T138-E154 PolarHBondContact OG1-OE2 3.37Å
139E97.4Very high96.9Very high130 Ų13074 Ų7461%0.60738%0.375SS*.Hα-helixtrans-63.9-38.9179.6-66.167.6-147.700111.3P137 A143P137-E139 PolarHBondContact O-N 3.28Å; E139-A143 VanDerWaalsContact O-CB 3.29Å; E139-A143 WeakPolarHBondContact O-CB 3.22Å; E139-A143 PolarHBondContact O-N 2.77Å
140Q97.8Very high96.9Very high67 Ų6771.7 Ų71.731%0.31336%0.364SS..Hα-helixtrans-63.9-48.6177.1-175.4-175.57.100110.6R99 F102 P137 T138 Y144R99-Q140 VanDerWaalsContact NH2-NE2 3.13Å; F102-Q140 HydrophobicContact CE1-CG 4.39Å; P137-Q140 HydrophobicContact CB-CB 4.14Å; P137-Q140 WeakPolarHBondContact O-CB 3.07Å; P137-Q140 PolarHBondContact O-N 3.18Å; P137-Q140 VanDerWaalsContact O-N 3.12Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 3.41Å; Q140-Y144 WeakPolarHBondContact O-CB 3.32Å; Q140-Y144 PolarHBondContact O-N 3.33Å
141A97.4Very high96.8Very high0 Ų072 Ų720%037%0.368CS..Hα-helixtrans-66.1-38.8179.900000112.4Y94 F102 V136 P137 T138 Y144 A145 F152Y94-A141 HydrophobicContact CE1-CB 4.44Å; Y94-A141 WeakPolarHBondContact OH-CB 3.49Å; F102-A141 HydrophobicContact CE2-CB 3.76Å; F102-A141 HydrophobicContact CZ-CB 4.26Å; V136-A141 HydrophobicContact CG1-CB 4.19Å; P137-A141 PolarHBondContact O-N 3.46Å; T138-A141 PolarHBondContact O-N 2.71Å; A141-Y144 PolarHBondContact O-N 3.32Å; A141-A145 WeakPolarHBondContact O-CB 3.37Å; A141-A145 PolarHBondContact O-N 3.09Å; A141-F152 HydrophobicContact CB-CD2 4.42Å; A141-F152 HydrophobicContact CB-CE1 4.33Å; A141-F152 HydrophobicContact CB-CE2 3.68Å; A141-F152 HydrophobicContact CB-CZ 3.6Å
142R97.7Very high96.9Very high119 Ų11971.5 Ų71.545%0.44936%0.358SS..Hα-helixtrans-63.3-50.5175.4-174.1-178.8-62.3153.54.2111.8T138 Y144 A145 E146 F152T138-R142 WeakPolarHBondContact O-CB 3.39Å; T138-R142 PolarHBondContact O-N 3.37Å; R142-Y144 VanDerWaalsContact C-N 3.25Å; R142-Y144 PolarHBondContact O-N 3.16Å; R142-A145 WeakPolarHBondContact O-CB 3.41Å; R142-A145 PolarHBondContact O-N 3.44Å; R142-A145 VanDerWaalsContact O-N 3.12Å; R142-E146 WeakPolarHBondContact O-CG 3.2Å; R142-E146 PolarHBondContact O-N 3Å; R142-F152 HydrophobicContact CB-CD1 3.87Å; R142-F152 HydrophobicContact CB-CE1 4.24Å; R142-F152 HydrophobicContact CG-CD1 4.31Å
143A97.9Very high97Very high55 Ų5565.8 Ų65.846%0.45533%0.333SS..Hα-helixtrans-61.1-37.417800000111.8E139 K147E139-A143 VanDerWaalsContact O-CB 3.29Å; E139-A143 WeakPolarHBondContact O-CB 3.22Å; E139-A143 PolarHBondContact O-N 2.77Å; A143-K147 WeakPolarHBondContact O-CB 3.41Å; A143-K147 PolarHBondContact O-N 3.05Å
144Y97.6Very high97Very high39 Ų3960.7 Ų60.715%0.15331%0.311CS..Hα-helixtrans-64.3-43.2173.8178-86.9000112.2F102 I105 D106 I109 L123 Q140 A141 R142 K147 N148 M150F102-Y144 HydrophobicContact CE2-CD1 4.3Å; F102-Y144 HydrophobicContact CE2-CG 4.45Å; F102-Y144 HydrophobicContact CZ-CD1 4.11Å; F102-Y144 HydrophobicContact CZ-CD2 4.3Å; F102-Y144 AromaticContact CZ-CG 3.81Å; F102-Y144 HydrophobicContact CZ-CG 3.81Å; I105-Y144 HydrophobicContact CG2-CE1 3.87Å; D106-Y144 WeakPolarHBondContact OD1-CE2 3.39Å; D106-Y144 PolarHBondContact OD1-OH 3.28Å; I109-Y144 HydrophobicContact CD1-CE1 4.33Å; I109-Y144 VanDerWaalsContact CD1-OH 3.29Å; I109-Y144 WeakPolarHBondContact CD1-OH 3.46Å; L123-Y144 HydrophobicContact CD2-CD1 3.95Å; Q140-Y144 WeakPolarHBondContact O-CB 3.32Å; Q140-Y144 PolarHBondContact O-N 3.33Å; A141-Y144 PolarHBondContact O-N 3.32Å; R142-Y144 VanDerWaalsContact C-N 3.25Å; R142-Y144 PolarHBondContact O-N 3.16Å; Y144-K147 PolarHBondContact O-N 3.35Å; Y144-N148 WeakPolarHBondContact CE1-ND2 3.42Å; Y144-N148 PolarHBondContact O-N 3.37Å; Y144-N148 PolarHBondContact O-ND2 3.44Å; Y144-M150 HydrophobicContact CD1-CE 4.31Å; Y144-M150 HydrophobicContact CE1-CE 3.87Å
145A97.1Very high97Very high1 Ų157.3 Ų57.31%0.00830%0.298CS..Hα-helixtrans-63.1-45.817700000111.7L123 A141 R142 K147 N148 G149 M150 F152L123-A145 HydrophobicContact CB-CB 4.21Å; L123-A145 HydrophobicContact CD2-CB 3.92Å; A141-A145 WeakPolarHBondContact O-CB 3.37Å; A141-A145 PolarHBondContact O-N 3.09Å; R142-A145 WeakPolarHBondContact O-CB 3.41Å; R142-A145 PolarHBondContact O-N 3.44Å; R142-A145 VanDerWaalsContact O-N 3.12Å; A145-K147 PolarHBondContact O-N 2.82Å; A145-N148 CarbonylContact O-C 3.51Å; A145-N148 PolarHBondContact O-N 3.29Å; A145-N148 VanDerWaalsContact O-N 3.13Å; A145-G149 PolarHBondContact O-N 2.74Å; A145-M150 CarbonylContact C-O 3.55Å; A145-M150 HydrophobicContact CB-CB 4.26Å; A145-M150 WeakPolarHBondContact CB-O 3.31Å; A145-M150 PolarHBondContact O-N 3.47Å; A145-F152 HydrophobicContact CB-CB 3.71Å; A145-F152 HydrophobicContact CB-CG 4.44Å
146E96Very high96.9Very high137 Ų13752.3 Ų52.364%0.6428%0.275SS*.Hα-helixtrans-58.8-46.5176.3-73.5174.5-171.400111.8R142 N148 G149R142-E146 WeakPolarHBondContact O-CG 3.2Å; R142-E146 PolarHBondContact O-N 3Å; E146-N148 PolarHBondContact O-N 3.43Å; E146-G149 PolarHBondContact O-N 3.38Å
147K96.3Very high96.6Very high182 Ų18252.8 Ų52.879%0.79128%0.278SS*.Hα-helixtrans-57.7-33.8176.9-177.5-178.9176.2-174.50112.7A143 Y144 A145A143-K147 WeakPolarHBondContact O-CB 3.41Å; A143-K147 PolarHBondContact O-N 3.05Å; Y144-K147 PolarHBondContact O-N 3.35Å; A145-K147 PolarHBondContact O-N 2.82Å
148N93.8Very high96.2Very high60 Ų6056.1 Ų56.132%0.32129%0.293SS..THydrogen-bonded Turntrans-96.46.8-179.6-71-73.1000113.4Y144 A145 E146 M150Y144-N148 WeakPolarHBondContact CE1-ND2 3.42Å; Y144-N148 PolarHBondContact O-N 3.37Å; Y144-N148 PolarHBondContact O-ND2 3.44Å; A145-N148 CarbonylContact O-C 3.51Å; A145-N148 PolarHBondContact O-N 3.29Å; A145-N148 VanDerWaalsContact O-N 3.13Å; E146-N148 PolarHBondContact O-N 3.43Å; N148-M150 VanDerWaalsContact C-N 3.35Å; N148-M150 HydrophobicContact CB-CE 3.67Å; N148-M150 HydrophobicContact CB-CG 4.19Å; N148-M150 PolarHBondContact O-N 3.35Å
149G92.9Very high95.9Very high71 Ų7158.8 Ų58.873%0.73231%0.311SS*.THydrogen-bonded Turntrans6534.5179.400000114A145 E146A145-G149 PolarHBondContact O-N 2.74Å; E146-G149 PolarHBondContact O-N 3.38Å
150M95.6Very high95.5Very high11 Ų1157.9 Ų57.95%0.05431%0.311CS..  trans-112.2144-179.7-55.9-169.7-75.200111L92 I109 R121 L123 Y144 A145 N148L92-M150 HydrophobicContact CD1-CE 4.37Å; L92-M150 HydrophobicContact CD1-SD 3.65Å; I109-M150 HydrophobicContact CD1-CE 3.93Å; R121-M150 HydrophobicContact CB-SD 4.5Å; R121-M150 HydrophobicContact CG-CG 4Å; R121-M150 HydrophobicContact CG-SD 3.8Å; L123-M150 HydrophobicContact CB-CE 4.26Å; Y144-M150 HydrophobicContact CD1-CE 4.31Å; Y144-M150 HydrophobicContact CE1-CE 3.87Å; A145-M150 CarbonylContact C-O 3.55Å; A145-M150 HydrophobicContact CB-CB 4.26Å; A145-M150 WeakPolarHBondContact CB-O 3.31Å; A145-M150 PolarHBondContact O-N 3.47Å; N148-M150 VanDerWaalsContact C-N 3.35Å; N148-M150 HydrophobicContact CB-CE 3.67Å; N148-M150 HydrophobicContact CB-CG 4.19Å; N148-M150 PolarHBondContact O-N 3.35Å
151T96.3Very high95.3Very high51 Ų5159.6 Ų59.631%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-74.3144166-46.40000109.5I122 L123 F153 E169I122-T151 CarbonylContact C-O 3.58Å; I122-T151 WeakPolarHBondContact CA-O 3.5Å; I122-T151 WeakPolarHBondContact CB-O 3.38Å; L123-T151 PolarHBondContact N-O 3.42Å; T151-F153 HydrophobicContact CG2-CD2 4.26Å; T151-F153 HydrophobicContact CG2-CE2 3.6Å; T151-F153 HydrophobicContact CG2-CZ 4.28Å; T151-E169 HydrophobicContact CG2-CG 4.16Å
152F98Very high95.1Very high34 Ų3461.5 Ų61.515%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-115.6133.4-177.4175.2-118.7000112.3Y94 L123 T138 A141 R142 A145 E154Y94-F152 HydrophobicContact CE1-CE2 4.09Å; Y94-F152 WeakPolarHBondContact OH-CE2 3.44Å; L123-F152 HydrophobicContact CB-CD2 4.18Å; L123-F152 HydrophobicContact CD2-CD2 3.92Å; L123-F152 HydrophobicContact CD2-CE2 4.35Å; L123-F152 HydrophobicContact CG-CD2 4.02Å; L123-F152 HydrophobicContact CG-CE2 4.47Å; L123-F152 WeakPolarHBondContact O-CA 3.38Å; T138-F152 HydrophobicContact CG2-CE1 3.95Å; A141-F152 HydrophobicContact CB-CD2 4.42Å; A141-F152 HydrophobicContact CB-CE1 4.33Å; A141-F152 HydrophobicContact CB-CE2 3.68Å; A141-F152 HydrophobicContact CB-CZ 3.6Å; R142-F152 HydrophobicContact CB-CD1 3.87Å; R142-F152 HydrophobicContact CB-CE1 4.24Å; R142-F152 HydrophobicContact CG-CD1 4.31Å; A145-F152 HydrophobicContact CB-CB 3.71Å; A145-F152 HydrophobicContact CB-CG 4.44Å; F152-E154 HydrophobicContact CE1-CG 3.91Å; F152-E154 HydrophobicContact CE2-CG 4.19Å; F152-E154 HydrophobicContact CZ-CG 3.4Å
153F98.2Very high94.8Very high35 Ų3556 Ų5615%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-130.9143.6171.8-71.8-90.2000110.7I122 L123 V124 G125 T151 V155 N162 E165 E169I122-F153 HydrophobicContact CD1-CD2 4.29Å; L123-F153 PolarHBondContact O-N 3.29Å; V124-F153 CarbonylContact C-O 3.47Å; V124-F153 VanDerWaalsContact CA-O 3.3Å; V124-F153 WeakPolarHBondContact CA-O 3.4Å; G125-F153 PolarHBondContact N-O 3.1Å; T151-F153 HydrophobicContact CG2-CD2 4.26Å; T151-F153 HydrophobicContact CG2-CE2 3.6Å; T151-F153 HydrophobicContact CG2-CZ 4.28Å; F153-V155 HydrophobicContact CB-CG1 4.28Å; F153-N162 HydrophobicContact CD1-CB 4.41Å; F153-E165 HydrophobicContact CE1-CB 4.27Å; F153-E169 HydrophobicContact CE2-CB 3.84Å; F153-E169 HydrophobicContact CE2-CG 3.88Å; F153-E169 HydrophobicContact CZ-CB 3.68Å; F153-E169 HydrophobicContact CZ-CG 3.9Å
154E98.1Very high94.5Very high21 Ų2158 Ų5810%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-105.6131.6159.3-66-174.6163.100108.6G125 L128 R134 T138 F152 N162G125-E154 CarbonylContact O-C 3.44Å; G125-E154 VanDerWaalsContact O-CA 3.24Å; G125-E154 WeakPolarHBondContact O-CA 3.43Å; L128-E154 HydrophobicContact CD1-CB 4.13Å; L128-E154 VanDerWaalsContact CD1-OE2 3.23Å; L128-E154 WeakPolarHBondContact CD1-OE2 3.42Å; L128-E154 HydrophobicContact CD2-CB 4.06Å; L128-E154 HydrophobicContact CG-CB 4.47Å; R134-E154 IonicContact CZ-OE1 3.39Å; R134-E154 IonicContact CZ-OE2 3.8Å; R134-E154 IonicContact NH1-OE1 2.7Å; R134-E154 PolarHBondContact NH1-OE1 2.91Å; R134-E154 IonicContact NH1-OE2 3.19Å; R134-E154 VanDerWaalsContact NH2-CD 3.34Å; R134-E154 IonicContact NH2-OE1 3.34Å; R134-E154 PolarHBondContact NH2-OE1 2.95Å; R134-E154 IonicContact NH2-OE2 3.73Å; R134-E154 PolarHBondContact NH2-OE2 3.11Å; T138-E154 PolarHBondContact OG1-OE1 3.15Å; T138-E154 PolarHBondContact OG1-OE2 3.37Å; F152-E154 HydrophobicContact CE1-CG 3.91Å; F152-E154 HydrophobicContact CE2-CG 4.19Å; F152-E154 HydrophobicContact CZ-CG 3.4Å; E154-N162 WeakPolarHBondContact O-CB 3.35Å; E154-N162 PolarHBondContact O-ND2 3.32Å
155V97.2Very high94.3Very high0 Ų060.5 Ų60.50%032%0.322CS..  trans-123.9151.2-172.2-570000111.5I30 V124 G125 N126 R127 L128 F153 F161 N162 V163I30-V155 HydrophobicContact CD1-CG2 4.06Å; I30-V155 HydrophobicContact CG1-CG2 4.26Å; V124-V155 HydrophobicContact CG1-CB 4.26Å; V124-V155 HydrophobicContact CG1-CG1 3.78Å; V124-V155 HydrophobicContact CG1-CG2 3.43Å; V124-V155 VanDerWaalsContact CG1-CG2 3.43Å; G125-V155 PolarHBondContact O-N 3.44Å; N126-V155 CarbonylContact C-O 3.13Å; N126-V155 HydrophobicContact CB-CG2 4.16Å; R127-V155 PolarHBondContact N-O 3.32Å; L128-V155 VanDerWaalsContact CB-O 3.28Å; L128-V155 WeakPolarHBondContact CB-O 3.13Å; L128-V155 PolarHBondContact N-O 2.86Å; F153-V155 HydrophobicContact CB-CG1 4.28Å; V155-F161 WeakPolarHBondContact CA-O 3.33Å; V155-N162 HydrophobicContact CG1-CB 3.88Å; V155-N162 WeakPolarHBondContact CG1-O 3.27Å; V155-V163 HydrophobicContact CB-CG2 4.37Å
156S95.6Very high94.2Very high3 Ų360.5 Ų60.52%0.02132%0.322CS..BIsolated β-bridgetrans-133.299.8168.8-177.30000109.3H129 L158 C159 N160 F161H129-S156 WeakPolarHBondContact CB-OG 3.43Å; H129-S156 PolarHBondContact ND1-OG 2.69Å; S156-L158 PolarHBondContact O-N 3.4Å; S156-C159 CarbonylContact O-C 3.5Å; S156-C159 PolarHBondContact O-N 2.73Å; S156-C159 VanDerWaalsContact O-N 3.1Å; S156-C159 PolarHBondContact OG-N 2.89Å; S156-C159 PolarHBondContact OG-SG 3.19Å; S156-N160 PolarHBondContact O-N 3.08Å; S156-F161 PolarHBondContact N-O 3.17Å; S156-F161 PolarHBondContact O-N 3.49Å
157P91.7Very high94.2Very high10 Ų1054 Ų547%0.06529%0.292CS..G310 helixtrans-54.6-40.8171.4-28.837.4000112E29 I30 N126 C159 N160 V163E29-P157 HydrophobicContact CB-CB 4.23Å; E29-P157 HydrophobicContact CB-CG 4.21Å; E29-P157 WeakPolarHBondContact O-CB 3.41Å; I30-P157 HydrophobicContact CB-CG 4.28Å; I30-P157 HydrophobicContact CG1-CG 3.59Å; N126-P157 WeakPolarHBondContact OD1-CD 2.92Å; N126-P157 WeakPolarHBondContact OD1-CG 3Å; P157-C159 PolarHBondContact O-N 3.3Å; P157-N160 PolarHBondContact O-N 3.3Å; P157-N160 VanDerWaalsContact O-N 3.14Å; P157-N160 PolarHBondContact O-OD1 3.47Å; P157-V163 HydrophobicContact CG-CG2 4.43Å
158L91.2Very high94Very high129 Ų12946.4 Ų46.468%0.67526%0.26SS*.G310 helixtrans-58.1-35.5177-176.664.2000113.2H129 S156H129-L158 HydrophobicContact CB-CD2 4.21Å; S156-L158 PolarHBondContact O-N 3.4Å
159C90.9Very high94.1Very high79 Ų7945.9 Ų45.953%0.53426%0.256SS..G310 helixtrans-101.84.4-178.5-53.20000112.9S156 P157 F161S156-C159 CarbonylContact O-C 3.5Å; S156-C159 PolarHBondContact O-N 2.73Å; S156-C159 VanDerWaalsContact O-N 3.1Å; S156-C159 PolarHBondContact OG-N 2.89Å; S156-C159 PolarHBondContact OG-SG 3.19Å; P157-C159 PolarHBondContact O-N 3.3Å; C159-F161 HydrophobicContact CB-CB 4.26Å; C159-F161 PolarHBondContact O-N 3.35Å
160N88.8Confident94.2Very high112 Ų11242.5 Ų42.560%0.59922%0.221SC*.THydrogen-bonded Turntrans48.337.6-169-63.8-44.5000113.4S156 P157S156-N160 PolarHBondContact O-N 3.08Å; P157-N160 PolarHBondContact O-N 3.3Å; P157-N160 VanDerWaalsContact O-N 3.14Å; P157-N160 PolarHBondContact O-OD1 3.47Å
161F92.6Very high94.1Very high102 Ų10242 Ų4245%0.44722%0.219SC..BIsolated β-bridgetrans-102.6127.9-175.1-175.6-99.4000111.3L128 V155 S156 C159 V163L128-F161 HydrophobicContact CD2-CD1 3.63Å; L128-F161 HydrophobicContact CD2-CE1 3.69Å; V155-F161 WeakPolarHBondContact CA-O 3.33Å; S156-F161 PolarHBondContact N-O 3.17Å; S156-F161 PolarHBondContact O-N 3.49Å; C159-F161 HydrophobicContact CB-CB 4.26Å; C159-F161 PolarHBondContact O-N 3.35Å; F161-V163 PolarHBondContact O-N 2.93Å
162N93.6Very high94Very high40 Ų4042.6 Ų42.621%0.21422%0.215CC..SBendtrans58.83179.9-77.1-16.4000116.1F153 E154 V155 E165 S166F153-N162 HydrophobicContact CD1-CB 4.41Å; E154-N162 WeakPolarHBondContact O-CB 3.35Å; E154-N162 PolarHBondContact O-ND2 3.32Å; V155-N162 HydrophobicContact CG1-CB 3.88Å; V155-N162 WeakPolarHBondContact CG1-O 3.27Å; N162-E165 VanDerWaalsContact C-OE2 3.23Å; N162-E165 WeakPolarHBondContact CA-OE2 3.19Å; N162-E165 PolarHBondContact N-OE2 2.91Å; N162-S166 VanDerWaalsContact O-CB 3.31Å; N162-S166 WeakPolarHBondContact O-CB 3.4Å; N162-S166 PolarHBondContact O-N 3.26Å; N162-S166 PolarHBondContact O-OG 3.41Å
163V92.5Very high93.7Very high3 Ų342.7 Ų42.72%0.01822%0.217CC..Hα-helixtrans-63.3-60.8179.5177.90000108.8I30 L34 V155 P157 F161 E165 S166 F167I30-V163 HydrophobicContact CG2-CG1 4.26Å; L34-V163 HydrophobicContact CD2-CG1 3.75Å; L34-V163 HydrophobicContact CG-CG1 4.14Å; V155-V163 HydrophobicContact CB-CG2 4.37Å; P157-V163 HydrophobicContact CG-CG2 4.43Å; F161-V163 PolarHBondContact O-N 2.93Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 2.82Å; V163-S166 PolarHBondContact O-N 2.99Å; V163-S166 PolarHBondContact O-OG 2.67Å; V163-F167 HydrophobicContact CG1-CD2 4.3Å; V163-F167 HydrophobicContact CG1-CE2 4.02Å; V163-F167 WeakPolarHBondContact O-CD2 3.36Å; V163-F167 PolarHBondContact O-N 2.93Å
164I91.5Very high93.4Very high97 Ų9741 Ų4150%0.49721%0.21SC..Hα-helixtrans-64-39.3-177.1-62174.3000110.6L34 S166 F167 T168L34-I164 HydrophobicContact CD2-CG1 4.4Å; I164-S166 VanDerWaalsContact C-N 3.34Å; I164-S166 PolarHBondContact O-N 2.97Å; I164-F167 PolarHBondContact O-N 2.6Å; I164-T168 VanDerWaalsContact O-CB 3.27Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 PolarHBondContact O-N 3.42Å; I164-T168 PolarHBondContact O-OG1 3.15Å
165E92.6Very high93Very high93 Ų9340.3 Ų40.344%0.43521%0.206SC..Hα-helixtrans-60.4-43-179.8-66.273.2-166.300111.3F153 N162 V163 T168 E169F153-E165 HydrophobicContact CE1-CB 4.27Å; N162-E165 VanDerWaalsContact C-OE2 3.23Å; N162-E165 WeakPolarHBondContact CA-OE2 3.19Å; N162-E165 PolarHBondContact N-OE2 2.91Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 2.82Å; E165-T168 PolarHBondContact O-N 2.87Å; E165-E169 WeakPolarHBondContact O-CB 3.22Å; E165-E169 PolarHBondContact O-N 3.03Å
166S96Very high92.5Very high1 Ų144.4 Ų44.41%0.00723%0.227CC..Hα-helixtrans-62.8-45.5177.771.70000112.2I122 N162 V163 I164 T168 E169 L170I122-S166 WeakPolarHBondContact CD1-O 3.35Å; N162-S166 VanDerWaalsContact O-CB 3.31Å; N162-S166 WeakPolarHBondContact O-CB 3.4Å; N162-S166 PolarHBondContact O-N 3.26Å; N162-S166 PolarHBondContact O-OG 3.41Å; V163-S166 PolarHBondContact O-N 2.99Å; V163-S166 PolarHBondContact O-OG 2.67Å; I164-S166 VanDerWaalsContact C-N 3.34Å; I164-S166 PolarHBondContact O-N 2.97Å; S166-T168 VanDerWaalsContact C-N 3.35Å; S166-T168 PolarHBondContact O-N 3.07Å; S166-E169 PolarHBondContact O-N 3.5Å; S166-L170 PolarHBondContact O-N 2.83Å; S166-L170 VanDerWaalsContact O-N 3.08Å
167F95.3Very high91.9Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-66.4-36.7175.4-72.2-75.5000112.5F17 L19 I30 L34 L65 L67 L91 V163 I164 S171F17-F167 HydrophobicContact CD2-CD1 4.05Å; L19-F167 HydrophobicContact CD1-CE1 4.31Å; I30-F167 HydrophobicContact CG2-CE2 3.69Å; I30-F167 HydrophobicContact CG2-CZ 3.8Å; L34-F167 HydrophobicContact CD1-CD2 4.08Å; L34-F167 HydrophobicContact CD1-CE1 4.45Å; L34-F167 HydrophobicContact CD1-CE2 3.62Å; L34-F167 HydrophobicContact CD1-CZ 3.83Å; L34-F167 HydrophobicContact CD2-CD2 3.94Å; L34-F167 HydrophobicContact CD2-CE2 4.08Å; L34-F167 HydrophobicContact CG-CE2 4.17Å; L65-F167 HydrophobicContact CD1-CB 3.97Å; L65-F167 HydrophobicContact CD1-CD1 4.24Å; L65-F167 HydrophobicContact CD1-CG 4.37Å; L67-F167 HydrophobicContact CD1-CE1 4Å; L67-F167 HydrophobicContact CD1-CZ 4.24Å; L67-F167 HydrophobicContact CD2-CD1 4.02Å; L67-F167 HydrophobicContact CD2-CE1 3.7Å; L91-F167 HydrophobicContact CD1-CD1 4.04Å; L91-F167 HydrophobicContact CD1-CE1 3.63Å; L91-F167 HydrophobicContact CD2-CD1 3.88Å; L91-F167 HydrophobicContact CD2-CE1 3.45Å; L91-F167 VanDerWaalsContact CD2-CE1 3.45Å; L91-F167 HydrophobicContact CD2-CE2 4.23Å; L91-F167 HydrophobicContact CD2-CG 4.44Å; L91-F167 HydrophobicContact CD2-CZ 3.64Å; L91-F167 HydrophobicContact CG-CE1 4.23Å; V163-F167 HydrophobicContact CG1-CD2 4.3Å; V163-F167 HydrophobicContact CG1-CE2 4.02Å; V163-F167 WeakPolarHBondContact O-CD2 3.36Å; V163-F167 PolarHBondContact O-N 2.93Å; I164-F167 PolarHBondContact O-N 2.6Å; F167-S171 WeakPolarHBondContact O-CB 3.29Å; F167-S171 PolarHBondContact O-N 2.95Å; F167-S171 PolarHBondContact O-OG 3.32Å
168T92.9Very high91.1Very high22 Ų2256.7 Ų56.714%0.13528%0.276CS..Hα-helixtrans-65.2-44.8178.4-60.70000110.9L58 I164 E165 S166 S171 R172L58-T168 HydrophobicContact CD1-CG2 3.38Å; I164-T168 VanDerWaalsContact O-CB 3.27Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 PolarHBondContact O-N 3.42Å; I164-T168 PolarHBondContact O-OG1 3.15Å; E165-T168 PolarHBondContact O-N 2.87Å; S166-T168 VanDerWaalsContact C-N 3.35Å; S166-T168 PolarHBondContact O-N 3.07Å; T168-S171 WeakPolarHBondContact O-CB 3.39Å; T168-S171 PolarHBondContact O-N 2.88Å; T168-R172 PolarHBondContact O-N 3.24Å
169E94.4Very high89.9Confident50 Ų5052.8 Ų52.823%0.23427%0.267CS..Hα-helixtrans-66.8-44.6178.3-17857.4-16500112T151 F153 E165 S166 S171 R172 I173T151-E169 HydrophobicContact CG2-CG 4.16Å; F153-E169 HydrophobicContact CE2-CB 3.84Å; F153-E169 HydrophobicContact CE2-CG 3.88Å; F153-E169 HydrophobicContact CZ-CB 3.68Å; F153-E169 HydrophobicContact CZ-CG 3.9Å; E165-E169 WeakPolarHBondContact O-CB 3.22Å; E165-E169 PolarHBondContact O-N 3.03Å; S166-E169 PolarHBondContact O-N 3.5Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 3.26Å; E169-R172 WeakPolarHBondContact O-CB 3.2Å; E169-R172 PolarHBondContact O-N 3.45Å; E169-R172 VanDerWaalsContact O-N 3.17Å; E169-R172 IonicContact OE2-CZ 3.71Å; E169-R172 IonicContact OE2-NH1 3.35Å; E169-R172 PolarHBondContact OE2-NH1 3.11Å; E169-I173 HydrophobicContact CG-CD1 4.2Å; E169-I173 WeakPolarHBondContact O-CG1 3.44Å; E169-I173 PolarHBondContact O-N 3.32Å
170L95.4Very high88.2Confident0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-59.1-43.4173.7-179.860.3000111.2F17 L91 P120 I122 S166 R172 I173 V174F17-L170 HydrophobicContact CD1-CD2 4.15Å; F17-L170 HydrophobicContact CD2-CD2 3.79Å; F17-L170 HydrophobicContact CD2-CG 4.41Å; F17-L170 HydrophobicContact CE1-CD2 4.23Å; F17-L170 HydrophobicContact CE1-CG 4.13Å; F17-L170 HydrophobicContact CE2-CB 4.24Å; F17-L170 HydrophobicContact CE2-CD2 3.84Å; F17-L170 HydrophobicContact CE2-CG 3.96Å; F17-L170 HydrophobicContact CG-CD2 3.95Å; F17-L170 HydrophobicContact CZ-CB 4.36Å; F17-L170 HydrophobicContact CZ-CD2 4.08Å; F17-L170 HydrophobicContact CZ-CG 3.83Å; L91-L170 HydrophobicContact CD1-CD2 3.52Å; L91-L170 HydrophobicContact CG-CD2 3.9Å; P120-L170 HydrophobicContact CB-CD1 4.06Å; I122-L170 HydrophobicContact CD1-CB 4.06Å; I122-L170 HydrophobicContact CG1-CB 4.4Å; I122-L170 HydrophobicContact CG1-CD2 4.4Å; I122-L170 HydrophobicContact CG2-CB 4.39Å; I122-L170 HydrophobicContact CG2-CD1 4.22Å; S166-L170 PolarHBondContact O-N 2.83Å; S166-L170 VanDerWaalsContact O-N 3.08Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 3.49Å; L170-I173 PolarHBondContact O-N 3.45Å; L170-V174 HydrophobicContact CD1-CG2 4.15Å; L170-V174 HydrophobicContact CG-CG2 4.41Å; L170-V174 WeakPolarHBondContact O-CB 3.34Å; L170-V174 WeakPolarHBondContact O-CG2 3.45Å; L170-V174 PolarHBondContact O-N 2.69Å
171S94.4Very high86.5Confident0 Ų052.5 Ų52.50%026%0.255CS..Hα-helixtrans-59.1-42.3175.8-58.50000112.6F17 F167 T168 E169 V174 L175F17-S171 WeakPolarHBondContact CE2-OG 3.38Å; F17-S171 WeakPolarHBondContact CZ-OG 3.07Å; F167-S171 WeakPolarHBondContact O-CB 3.29Å; F167-S171 PolarHBondContact O-N 2.95Å; F167-S171 PolarHBondContact O-OG 3.32Å; T168-S171 WeakPolarHBondContact O-CB 3.39Å; T168-S171 PolarHBondContact O-N 2.88Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 3.26Å; S171-V174 PolarHBondContact O-N 3.04Å; S171-L175 WeakPolarHBondContact O-CB 3.48Å; S171-L175 WeakPolarHBondContact O-CD1 3.31Å; S171-L175 WeakPolarHBondContact O-CG 3.19Å; S171-L175 PolarHBondContact O-N 3.34Å
172R92.3Very high84.4Confident64 Ų6456.6 Ų56.624%0.24227%0.272CS..Hα-helixtrans-59.7-50.3175.2-177.4179.2-68.2111.42.7111.3L58 D59 T168 E169 L170 V174 L175 M176L58-R172 HydrophobicContact CD1-CB 4.35Å; D59-R172 IonicContact OD2-NE 2.83Å; D59-R172 IonicContact OD2-NH2 3.55Å; D59-R172 PolarHBondContact OD2-NH2 2.85Å; T168-R172 PolarHBondContact O-N 3.24Å; E169-R172 WeakPolarHBondContact O-CB 3.2Å; E169-R172 PolarHBondContact O-N 3.45Å; E169-R172 VanDerWaalsContact O-N 3.17Å; E169-R172 IonicContact OE2-CZ 3.71Å; E169-R172 IonicContact OE2-NH1 3.35Å; E169-R172 PolarHBondContact OE2-NH1 3.11Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 3.49Å; R172-V174 VanDerWaalsContact C-N 3.32Å; R172-V174 PolarHBondContact O-N 3.19Å; R172-L175 PolarHBondContact O-N 3.35Å; R172-M176 HydrophobicContact CG-CE 3.69Å; R172-M176 HydrophobicContact CG-SD 4.08Å; R172-M176 WeakPolarHBondContact O-CB 3.21Å; R172-M176 VanDerWaalsContact O-CG 3.29Å; R172-M176 WeakPolarHBondContact O-CG 2.93Å; R172-M176 PolarHBondContact O-N 2.98Å
173I92.3Very high82.2Confident35 Ų3561.3 Ų61.318%0.17929%0.291CS..Hα-helixtrans-58.4-45.6179.4-64.3164.6000110.9P120 I122 E169 L170 M176 R177P120-I173 HydrophobicContact CB-CG2 3.76Å; P120-I173 HydrophobicContact CG-CG2 4.06Å; I122-I173 HydrophobicContact CG2-CD1 4.28Å; E169-I173 HydrophobicContact CG-CD1 4.2Å; E169-I173 WeakPolarHBondContact O-CG1 3.44Å; E169-I173 PolarHBondContact O-N 3.32Å; L170-I173 PolarHBondContact O-N 3.45Å; I173-M176 PolarHBondContact O-N 2.97Å; I173-R177 PolarHBondContact O-N 2.8Å
174V92.6Very high79.9Confident1 Ų163.7 Ų63.71%0.00630%0.3CS..Hα-helixtrans-63.7-48.4-179.3171.60000111.5L15 F17 Q88 P120 L170 S171 R172 M176 R177 H178L15-V174 HydrophobicContact CD1-CG1 4.33Å; L15-V174 HydrophobicContact CD2-CG1 3.82Å; F17-V174 HydrophobicContact CE1-CG2 4.01Å; F17-V174 HydrophobicContact CZ-CG2 4.48Å; Q88-V174 HydrophobicContact CB-CG1 3.81Å; Q88-V174 WeakPolarHBondContact O-CG2 3.38Å; P120-V174 HydrophobicContact CB-CG2 4Å; P120-V174 HydrophobicContact CG-CG2 3.9Å; L170-V174 HydrophobicContact CD1-CG2 4.15Å; L170-V174 HydrophobicContact CG-CG2 4.41Å; L170-V174 WeakPolarHBondContact O-CB 3.34Å; L170-V174 WeakPolarHBondContact O-CG2 3.45Å; L170-V174 PolarHBondContact O-N 2.69Å; S171-V174 PolarHBondContact O-N 3.04Å; R172-V174 VanDerWaalsContact C-N 3.32Å; R172-V174 PolarHBondContact O-N 3.19Å; V174-M176 VanDerWaalsContact C-N 3.33Å; V174-M176 PolarHBondContact O-N 3.36Å; V174-R177 PolarHBondContact O-N 3.24Å; V174-H178 PolarHBondContact O-CD2 3.1Å; V174-H178 PolarHBondContact O-N 3.29Å
175L89.8Confident77.9Confident5 Ų568.5 Ų68.53%0.02631%0.312CS..Hα-helixtrans-65.1-37.5179.5-67168.3000111.7Y13 L15 L58 V63 S171 R172 H178 M180Y13-L175 HydrophobicContact CD1-CD2 4.24Å; Y13-L175 HydrophobicContact CD2-CD1 3.85Å; Y13-L175 HydrophobicContact CD2-CD2 3.74Å; Y13-L175 HydrophobicContact CD2-CG 4.49Å; Y13-L175 HydrophobicContact CE2-CD1 4.19Å; Y13-L175 HydrophobicContact CE2-CD2 4.12Å; Y13-L175 HydrophobicContact CG-CD2 3.77Å; L15-L175 HydrophobicContact CD1-CD1 4.45Å; L15-L175 HydrophobicContact CD1-CD2 4.36Å; L15-L175 HydrophobicContact CD1-CG 4.15Å; L15-L175 HydrophobicContact CD2-CD2 4Å; L58-L175 HydrophobicContact CD2-CD1 3.49Å; L58-L175 VanDerWaalsContact CD2-CD1 3.49Å; V63-L175 HydrophobicContact CG2-CD1 4.29Å; S171-L175 WeakPolarHBondContact O-CB 3.48Å; S171-L175 WeakPolarHBondContact O-CD1 3.31Å; S171-L175 WeakPolarHBondContact O-CG 3.19Å; S171-L175 PolarHBondContact O-N 3.34Å; R172-L175 PolarHBondContact O-N 3.35Å; L175-H178 PolarHBondContact O-N 3.14Å; L175-M180 HydrophobicContact CB-SD 4.28Å; L175-M180 HydrophobicContact CD2-SD 3.41Å; L175-M180 WeakPolarHBondContact CD2-SD 3.31Å; L175-M180 HydrophobicContact CG-SD 4.43Å; L175-M180 WeakPolarHBondContact O-CB 3.41Å; L175-M180 VanDerWaalsContact O-CG 3.23Å; L175-M180 WeakPolarHBondContact O-CG 3.46Å; L175-M180 PolarHBondContact O-N 3.03Å
176M86Confident75.6Confident86 Ų8667.8 Ų67.842%0.42432%0.315SS..Hα-helixtrans-61-46.6174-75.3179174.500111.6R172 I173 V174 H178 G179R172-M176 HydrophobicContact CG-CE 3.69Å; R172-M176 HydrophobicContact CG-SD 4.08Å; R172-M176 WeakPolarHBondContact O-CB 3.21Å; R172-M176 VanDerWaalsContact O-CG 3.29Å; R172-M176 WeakPolarHBondContact O-CG 2.93Å; R172-M176 PolarHBondContact O-N 2.98Å; I173-M176 PolarHBondContact O-N 2.97Å; V174-M176 VanDerWaalsContact C-N 3.33Å; V174-M176 PolarHBondContact O-N 3.36Å; M176-H178 VanDerWaalsContact C-N 3.3Å; M176-H178 PolarHBondContact O-N 2.98Å; M176-G179 PolarHBondContact O-N 2.98Å; M176-G179 VanDerWaalsContact O-N 3.16Å
177R82.8Confident73.3Confident155 Ų15573.1 Ų73.159%0.58534%0.344SS*.Hα-helixtrans-62.9-32.1179.1-76.1-160.6-172.7171.40.1113.9G118 I173 V174 G179G118-R177 PolarHBondContact O-NH1 2.83Å; I173-R177 PolarHBondContact O-N 2.8Å; V174-R177 PolarHBondContact O-N 3.24Å; R177-G179 PolarHBondContact O-N 3.34Å; R177-G179 VanDerWaalsContact O-N 3.09Å
178H76.2Confident71.3Confident116 Ų11682.7 Ų82.754%0.53738%0.38SS..THydrogen-bonded Turntrans-76.515.8177.3-75.2-66.8000114V174 L175 M176 M180V174-H178 PolarHBondContact O-CD2 3.1Å; V174-H178 PolarHBondContact O-N 3.29Å; L175-H178 PolarHBondContact O-N 3.14Å; M176-H178 VanDerWaalsContact C-N 3.3Å; M176-H178 PolarHBondContact O-N 2.98Å; H178-M180 VanDerWaalsContact C-N 3.28Å; H178-M180 HydrophobicContact CB-CG 4.2Å; H178-M180 PolarHBondContact O-N 3.29Å
179G64.4Low69.7Low47 Ų4788 Ų8849%0.48541%0.412SS..THydrogen-bonded Turntrans73.220.6175.600000113.4M176 R177 E181M176-G179 PolarHBondContact O-N 2.98Å; M176-G179 VanDerWaalsContact O-N 3.16Å; R177-G179 PolarHBondContact O-N 3.34Å; R177-G179 VanDerWaalsContact O-N 3.09Å; G179-E181 PolarHBondContact O-N 3.49Å
180M56.6Low68.3Low40 Ų4089.3 Ų89.320%0.19742%0.417CS..G310 helixtrans-81.94.4-177.2-48.9-164.296.400113.5Y13 L175 H178 K182 F183 W184Y13-M180 HydrophobicContact CD1-CE 3.79Å; Y13-M180 HydrophobicContact CD1-SD 4.19Å; Y13-M180 HydrophobicContact CE1-CE 3.04Å; Y13-M180 HydrophobicContact CE1-SD 3.77Å; Y13-M180 HydrophobicContact CE2-SD 4.5Å; Y13-M180 VanDerWaalsContact CZ-CE 3.49Å; Y13-M180 WeakPolarHBondContact OH-CE 3.23Å; L175-M180 HydrophobicContact CB-SD 4.28Å; L175-M180 HydrophobicContact CD2-SD 3.41Å; L175-M180 WeakPolarHBondContact CD2-SD 3.31Å; L175-M180 HydrophobicContact CG-SD 4.43Å; L175-M180 WeakPolarHBondContact O-CB 3.41Å; L175-M180 VanDerWaalsContact O-CG 3.23Å; L175-M180 WeakPolarHBondContact O-CG 3.46Å; L175-M180 PolarHBondContact O-N 3.03Å; H178-M180 VanDerWaalsContact C-N 3.28Å; H178-M180 HydrophobicContact CB-CG 4.2Å; H178-M180 PolarHBondContact O-N 3.29Å; M180-K182 PolarHBondContact O-N 2.97Å; M180-K182 VanDerWaalsContact O-N 3.16Å; M180-F183 PolarHBondContact O-N 3.14Å; M180-W184 WeakPolarHBondContact O-CB 3.36Å; M180-W184 PolarHBondContact O-N 3.3Å
181E52.2Low67.5Low145 Ų14591.8 Ų91.868%0.67843%0.434SS*.G310 helixtrans-50.8-37.6169.9-67.6-171.2165.400112G179 F183 W184G179-E181 PolarHBondContact O-N 3.49Å; E181-F183 VanDerWaalsContact C-N 3.27Å; E181-F183 PolarHBondContact O-N 2.88Å; E181-W184 PolarHBondContact O-N 3.08Å
182K48.3Very low66.7Low189 Ų18998.2 Ų98.282%0.82247%0.468SS*.G310 helixtrans-66.7-26.7-179.4-65.4-175.1-178.9178.90113.7M180M180-K182 PolarHBondContact O-N 2.97Å; M180-K182 VanDerWaalsContact O-N 3.16Å
183F47.7Very low66.2Low139 Ų139100.5 Ų100.561%0.6148%0.481SS*.THydrogen-bonded Turntrans-96.9-20.6175.3-65.5-73.8000112R61 M180 E181 R185R61-F183 PolarHBondContact NH2-O 3.07Å; M180-F183 PolarHBondContact O-N 3.14Å; E181-F183 VanDerWaalsContact C-N 3.27Å; E181-F183 PolarHBondContact O-N 2.88Å; F183-R185 PolarHBondContact O-N 3.49Å
184W45.3Very low65.7Low53 Ų53101 Ų10120%0.20149%0.485CS..  trans-71.567.3171.3-160.9-89.7000110.3L58 D59 M180 E181 P186L58-W184 HydrophobicContact CD1-CH2 4.24Å; L58-W184 HydrophobicContact CD2-CH2 3.85Å; L58-W184 HydrophobicContact CD2-CZ3 3.98Å; L58-W184 HydrophobicContact CG-CH2 3.77Å; L58-W184 HydrophobicContact CG-CZ3 4.24Å; D59-W184 HydrophobicContact CB-CH2 3.65Å; D59-W184 HydrophobicContact CB-CZ2 3.67Å; D59-W184 HydrophobicContact CB-CZ3 4.35Å; D59-W184 WeakPolarHBondContact OD2-CH2 3.26Å; D59-W184 WeakPolarHBondContact OD2-CZ2 3.14Å; M180-W184 WeakPolarHBondContact O-CB 3.36Å; M180-W184 PolarHBondContact O-N 3.3Å; E181-W184 PolarHBondContact O-N 3.08Å; W184-P186 VanDerWaalsContact O-CD 3.26Å; W184-P186 WeakPolarHBondContact O-CD 3.3Å
185R48.3Very low65.1Low198 Ų198105.1 Ų105.175%0.74751%0.506SS*.  trans-64.8119150.1-64.4-168-178.1-160.1-0.3103.9F183 N187F183-R185 PolarHBondContact O-N 3.49Å; R185-N187 PolarHBondContact O-N 2.96Å
186P44.2Very low64.8Low78 Ų78107.8 Ų107.851%0.50652%0.524SS..  trans-47.7148.4162.221.1-30.1000106.2W184 R188W184-P186 VanDerWaalsContact O-CD 3.26Å; W184-P186 WeakPolarHBondContact O-CD 3.3Å; P186-R188 HydrophobicContact CG-CG 4.46Å; P186-R188 PolarHBondContact O-N 2.86Å
187N48Very low64.8Low113 Ų113104 Ų10460%0.60451%0.506SS*.  trans-61.271159.5-81.8-32.5000107.3D59 R185 V189D59-N187 PolarHBondContact O-ND2 2.77Å; R185-N187 PolarHBondContact O-N 2.96Å; N187-V189 PolarHBondContact O-N 2.84Å
188R53.5Low64.8Low200 Ų200102.8 Ų102.876%0.75550%0.501SS*.  trans-61.495.5153.4-98.4-168177.1-169.20.5101.7P186 F190P186-R188 HydrophobicContact CG-CG 4.46Å; P186-R188 PolarHBondContact O-N 2.86Å; R188-F190 PolarHBondContact O-N 3.04Å
189V59.4Low65.1Low133 Ų13399.8 Ų99.881%0.80650%0.497SS*.  trans-48.2104.9153.7-179.20000103.4N187 S191N187-V189 PolarHBondContact O-N 2.84Å; V189-S191 PolarHBondContact O-N 2.79Å
190F64.6Low66.2Low78 Ų7899.7 Ų99.734%0.34249%0.485SS..  trans-54.1132.9177-76.9-69.1000105.7R188 D194 L195R188-F190 PolarHBondContact O-N 3.04Å; F190-D194 HydrophobicContact CB-CB 3.81Å; F190-D194 HydrophobicContact CD1-CB 3.8Å; F190-D194 HydrophobicContact CG-CB 4.23Å; F190-L195 HydrophobicContact CB-CD2 3.69Å; F190-L195 HydrophobicContact CB-CG 3.68Å; F190-L195 HydrophobicContact CD2-CD2 4.22Å; F190-L195 HydrophobicContact CG-CD2 4.29Å
191S79.4Confident67.6Low52 Ų5298.3 Ų98.336%0.36448%0.478SS..  trans-54.7153.2172.665.40000108.2V189 Q193 D194 L195V189-S191 PolarHBondContact O-N 2.79Å; S191-Q193 PolarHBondContact O-N 3.49Å; S191-D194 PolarHBondContact N-OD2 3.25Å; S191-D194 WeakPolarHBondContact O-CB 3.19Å; S191-D194 PolarHBondContact O-N 3.28Å; S191-D194 PolarHBondContact OG-N 3.24Å; S191-D194 PolarHBondContact OG-OD2 2.91Å; S191-L195 PolarHBondContact O-N 3.29Å
192L77.4Confident68.9Low135 Ų13595.2 Ų95.271%0.70747%0.473SS*.Hα-helixtrans-51.2-35.5173.317961.3000110.6L195 C196L192-L195 PolarHBondContact O-N 3.47Å; L192-C196 WeakPolarHBondContact O-CB 3.44Å; L192-C196 PolarHBondContact O-N 3.01Å; L192-C196 PolarHBondContact O-SG 2.9Å
193Q81.9Confident70.5Confident112 Ų11290.5 Ų90.552%0.52346%0.463SS..Hα-helixtrans-61.9-46.3174.2-171.6171.90.500112.8S191 L195 C196 C197S191-Q193 PolarHBondContact O-N 3.49Å; Q193-L195 PolarHBondContact O-N 3.3Å; Q193-C196 PolarHBondContact O-N 3.25Å; Q193-C197 WeakPolarHBondContact O-CB 3.31Å; Q193-C197 PolarHBondContact O-N 2.73Å; Q193-C197 PolarHBondContact O-SG 3.14Å
194D80.3Confident72.2Confident47 Ų4784.9 Ų84.925%0.25144%0.44SS..Hα-helixtrans-62.8-40.6176.1-70.3-52000112.3F190 S191 C197 R198F190-D194 HydrophobicContact CB-CB 3.81Å; F190-D194 HydrophobicContact CD1-CB 3.8Å; F190-D194 HydrophobicContact CG-CB 4.23Å; S191-D194 PolarHBondContact N-OD2 3.25Å; S191-D194 WeakPolarHBondContact O-CB 3.19Å; S191-D194 PolarHBondContact O-N 3.28Å; S191-D194 PolarHBondContact OG-N 3.24Å; S191-D194 PolarHBondContact OG-OD2 2.91Å; D194-C197 PolarHBondContact O-N 2.96Å; D194-R198 WeakPolarHBondContact O-CB 3.39Å; D194-R198 PolarHBondContact O-N 3.13Å
195L81.2Confident74Confident87 Ų8784.7 Ų84.746%0.45545%0.446SS..Hα-helixtrans-64.5-48.4177-69.7174.2000111.3F190 S191 L192 Q193 C197 R198 A199F190-L195 HydrophobicContact CB-CD2 3.69Å; F190-L195 HydrophobicContact CB-CG 3.68Å; F190-L195 HydrophobicContact CD2-CD2 4.22Å; F190-L195 HydrophobicContact CG-CD2 4.29Å; S191-L195 PolarHBondContact O-N 3.29Å; L192-L195 PolarHBondContact O-N 3.47Å; Q193-L195 PolarHBondContact O-N 3.3Å; L195-C197 VanDerWaalsContact C-N 3.33Å; L195-C197 PolarHBondContact O-N 2.88Å; L195-R198 PolarHBondContact O-N 3.1Å; L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 2.78Å
196C83.3Confident75.5Confident60 Ų6076.5 Ų76.541%0.40542%0.417SS..Hα-helixtrans-59.8-43.8175.5-72.20000111.3L192 Q193 R198 A199 I200L192-C196 WeakPolarHBondContact O-CB 3.44Å; L192-C196 PolarHBondContact O-N 3.01Å; L192-C196 PolarHBondContact O-SG 2.9Å; Q193-C196 PolarHBondContact O-N 3.25Å; C196-R198 PolarHBondContact O-N 2.82Å; C196-A199 PolarHBondContact O-N 2.8Å; C196-I200 WeakPolarHBondContact O-CB 3.39Å; C196-I200 WeakPolarHBondContact O-CD1 3.48Å; C196-I200 VanDerWaalsContact O-CG1 3.24Å; C196-I200 WeakPolarHBondContact O-CG1 3.42Å; C196-I200 PolarHBondContact O-N 3.12Å
197C85.3Confident77.4Confident6 Ų679.2 Ų79.24%0.04142%0.423CS..Hα-helixtrans-62.3-44.6178.3-70.40000111.9Q193 D194 L195 I200 V201 L222 F225Q193-C197 WeakPolarHBondContact O-CB 3.31Å; Q193-C197 PolarHBondContact O-N 2.73Å; Q193-C197 PolarHBondContact O-SG 3.14Å; D194-C197 PolarHBondContact O-N 2.96Å; L195-C197 VanDerWaalsContact C-N 3.33Å; L195-C197 PolarHBondContact O-N 2.88Å; C197-I200 PolarHBondContact O-N 3.3Å; C197-V201 VanDerWaalsContact O-CB 3.31Å; C197-V201 WeakPolarHBondContact O-CB 3.47Å; C197-V201 VanDerWaalsContact O-CG2 3.25Å; C197-V201 WeakPolarHBondContact O-CG2 3.46Å; C197-V201 PolarHBondContact O-N 2.79Å; C197-L222 HydrophobicContact CB-CD2 3.81Å; C197-F225 HydrophobicContact CB-CD1 3.99Å; C197-F225 HydrophobicContact CB-CD2 4.13Å; C197-F225 HydrophobicContact CB-CE1 4.16Å; C197-F225 HydrophobicContact CB-CE2 4.29Å; C197-F225 HydrophobicContact CB-CG 3.97Å; C197-F225 HydrophobicContact CB-CZ 4.29Å
198R83.5Confident79.1Confident130 Ų13076.8 Ų76.849%0.49141%0.41SS..Hα-helixtrans-64.1-42177.6-164.9176.2-176.7-154.5-2.2112.3D194 L195 C196 S202 F225 M231D194-R198 WeakPolarHBondContact O-CB 3.39Å; D194-R198 PolarHBondContact O-N 3.13Å; L195-R198 PolarHBondContact O-N 3.1Å; C196-R198 PolarHBondContact O-N 2.82Å; R198-S202 VanDerWaalsContact O-CB 3.23Å; R198-S202 WeakPolarHBondContact O-CB 3.44Å; R198-S202 PolarHBondContact O-N 2.83Å; R198-S202 PolarHBondContact O-OG 2.91Å; R198-F225 HydrophobicContact CB-CE1 4.02Å; R198-F225 HydrophobicContact CB-CZ 4.09Å; R198-F225 HydrophobicContact CG-CE1 4.47Å; R198-M231 HydrophobicContact CG-CE 4.48Å; R198-M231 HydrophobicContact CG-SD 4.44Å
199A82.8Confident80.7Confident54 Ų5467.3 Ų67.345%0.44637%0.374SS..Hα-helixtrans-61.9-50.8176.600000111.2L195 C196 S202 C203L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 2.78Å; C196-A199 PolarHBondContact O-N 2.8Å; A199-S202 PolarHBondContact O-N 3Å; A199-S202 PolarHBondContact O-OG 3.14Å; A199-C203 PolarHBondContact O-N 2.68Å; A199-C203 PolarHBondContact O-SG 3.29Å
200I86.4Confident81.9Confident45 Ų4564.9 Ų64.923%0.23136%0.357CS..Hα-helixtrans-62.9-47-178.8-65.9164.7000111.2C196 C197 S202 C203 T204 L212 L214 L222C196-I200 WeakPolarHBondContact O-CB 3.39Å; C196-I200 WeakPolarHBondContact O-CD1 3.48Å; C196-I200 VanDerWaalsContact O-CG1 3.24Å; C196-I200 WeakPolarHBondContact O-CG1 3.42Å; C196-I200 PolarHBondContact O-N 3.12Å; C197-I200 PolarHBondContact O-N 3.3Å; I200-S202 VanDerWaalsContact C-N 3.28Å; I200-S202 PolarHBondContact O-N 3.22Å; I200-C203 PolarHBondContact O-N 2.98Å; I200-C203 PolarHBondContact O-SG 3.07Å; I200-C203 VanDerWaalsContact O-SG 3.38Å; I200-T204 WeakPolarHBondContact O-CA 3.28Å; I200-T204 WeakPolarHBondContact O-CB 3.44Å; I200-T204 PolarHBondContact O-N 3.39Å; I200-T204 PolarHBondContact O-OG1 2.95Å; I200-L212 HydrophobicContact CG2-CD1 3.69Å; I200-L214 HydrophobicContact CD1-CD1 4.39Å; I200-L222 HydrophobicContact CB-CD2 4.02Å; I200-L222 HydrophobicContact CD1-CD1 4.3Å; I200-L222 HydrophobicContact CD1-CD2 4.19Å; I200-L222 HydrophobicContact CG2-CD1 3.93Å; I200-L222 HydrophobicContact CG2-CD2 4.07Å
201V85.9Confident83Confident10 Ų1069.2 Ų69.26%0.06138%0.375CS..Hα-helixtrans-67.1-30-1801710000111.8C197 C203 I209 L222 F225 S226 M231C197-V201 VanDerWaalsContact O-CB 3.31Å; C197-V201 WeakPolarHBondContact O-CB 3.47Å; C197-V201 VanDerWaalsContact O-CG2 3.25Å; C197-V201 WeakPolarHBondContact O-CG2 3.46Å; C197-V201 PolarHBondContact O-N 2.79Å; V201-C203 VanDerWaalsContact C-N 3.31Å; V201-C203 PolarHBondContact O-N 3.17Å; V201-I209 HydrophobicContact CG2-CD1 4.44Å; V201-L222 HydrophobicContact CG2-CD2 4.15Å; V201-F225 HydrophobicContact CG2-CD1 4.29Å; V201-S226 WeakPolarHBondContact CG1-OG 3.29Å; V201-M231 HydrophobicContact CG1-CB 4Å; V201-M231 HydrophobicContact CG1-SD 4.27Å
202S80.8Confident83.3Confident80 Ų8068.6 Ų68.656%0.55937%0.368SS*.Hα-helixtrans-69.1-26.6177.573.40000114.1R198 A199 I200R198-S202 VanDerWaalsContact O-CB 3.23Å; R198-S202 WeakPolarHBondContact O-CB 3.44Å; R198-S202 PolarHBondContact O-N 2.83Å; R198-S202 PolarHBondContact O-OG 2.91Å; A199-S202 PolarHBondContact O-N 3Å; A199-S202 PolarHBondContact O-OG 3.14Å; I200-S202 VanDerWaalsContact C-N 3.28Å; I200-S202 PolarHBondContact O-N 3.22Å
203C80.5Confident83.8Confident90 Ų9068.4 Ų68.461%0.60837%0.374SS*.Hα-helixtrans-112.1-7.5-178.962.60000113.9A199 I200 V201A199-C203 PolarHBondContact O-N 2.68Å; A199-C203 PolarHBondContact O-SG 3.29Å; I200-C203 PolarHBondContact O-N 2.98Å; I200-C203 PolarHBondContact O-SG 3.07Å; I200-C203 VanDerWaalsContact O-SG 3.38Å; V201-C203 VanDerWaalsContact C-N 3.31Å; V201-C203 PolarHBondContact O-N 3.17Å
204T83.6Confident84Confident22 Ų2265.8 Ų65.814%0.13536%0.364CS..SBendtrans-122113.3-177.7-46.80000110.7I200 L208 I209 L212I200-T204 WeakPolarHBondContact O-CA 3.28Å; I200-T204 WeakPolarHBondContact O-CB 3.44Å; I200-T204 PolarHBondContact O-N 3.39Å; I200-T204 PolarHBondContact O-OG1 2.95Å; T204-L208 HydrophobicContact CG2-CB 3.9Å; T204-I209 HydrophobicContact CG2-CG1 4.21Å; T204-L212 HydrophobicContact CG2-CD1 4.25Å; T204-L212 HydrophobicContact CG2-CD2 4.37Å; T204-L212 HydrophobicContact CG2-CG 4.42Å
205P83.4Confident84.5Confident49 Ų4967.4 Ų67.432%0.31838%0.377SS..  trans-54.3143.4170.8-23.731.4000111.9H207 L208 I209P205-H207 WeakPolarHBondContact CB-CE1 3.49Å; P205-H207 PolarHBondContact O-N 3.26Å; P205-H207 VanDerWaalsContact O-N 3.1Å; P205-L208 HydrophobicContact CB-CD1 4.44Å; P205-L208 HydrophobicContact CB-CG 4.35Å; P205-L208 HydrophobicContact CG-CD1 4.02Å; P205-L208 HydrophobicContact CG-CG 4.46Å; P205-L208 WeakPolarHBondContact O-CA 3.41Å; P205-L208 WeakPolarHBondContact O-CB 3.49Å; P205-L208 PolarHBondContact O-N 3.07Å; P205-I209 PolarHBondContact O-N 3.36Å
206V81Confident84.8Confident26 Ų2669 Ų6916%0.15839%0.39CS..G310 helixtrans-55.9-35.6-174165.60000114.2L208 I209 S226 M227 N232V206-L208 PolarHBondContact O-N 3.38Å; V206-I209 HydrophobicContact CB-CD1 4.3Å; V206-I209 HydrophobicContact CG2-CD1 3.98Å; V206-I209 WeakPolarHBondContact O-CB 3.24Å; V206-I209 PolarHBondContact O-N 3.46Å; V206-S226 WeakPolarHBondContact CG2-OG 3.1Å; V206-M227 HydrophobicContact CG1-CE 4.3Å; V206-N232 WeakPolarHBondContact CG2-OD1 3.29Å
207H82.6Confident84.9Confident135 Ų13569.9 Ų69.963%0.62540%0.402SS*.G310 helixtrans-71.6-15.3177.664.7-88.8000113.5P205P205-H207 WeakPolarHBondContact CB-CE1 3.49Å; P205-H207 PolarHBondContact O-N 3.26Å; P205-H207 VanDerWaalsContact O-N 3.1Å
208L85.1Confident84.9Confident62 Ų6273.1 Ų73.133%0.32542%0.418SS..G310 helixtrans-95.7-9.6175.3-61.3-175.2000113T204 P205 V206 D210 K211T204-L208 HydrophobicContact CG2-CB 3.9Å; P205-L208 HydrophobicContact CB-CD1 4.44Å; P205-L208 HydrophobicContact CB-CG 4.35Å; P205-L208 HydrophobicContact CG-CD1 4.02Å; P205-L208 HydrophobicContact CG-CG 4.46Å; P205-L208 WeakPolarHBondContact O-CA 3.41Å; P205-L208 WeakPolarHBondContact O-CB 3.49Å; P205-L208 PolarHBondContact O-N 3.07Å; V206-L208 PolarHBondContact O-N 3.38Å; L208-D210 PolarHBondContact O-N 2.86Å; L208-K211 HydrophobicContact CD2-CD 4.04Å; L208-K211 WeakPolarHBondContact O-CB 3.43Å; L208-K211 PolarHBondContact O-N 3.06Å
209I85.9Confident85.1Confident0 Ų068.8 Ų68.80%040%0.402CS..G310 helixtrans-59-34.8177.2-64.2175.9000111.1V201 T204 P205 V206 K211 L212 K219 L222 K223V201-I209 HydrophobicContact CG2-CD1 4.44Å; T204-I209 HydrophobicContact CG2-CG1 4.21Å; P205-I209 PolarHBondContact O-N 3.36Å; V206-I209 HydrophobicContact CB-CD1 4.3Å; V206-I209 HydrophobicContact CG2-CD1 3.98Å; V206-I209 WeakPolarHBondContact O-CB 3.24Å; V206-I209 PolarHBondContact O-N 3.46Å; I209-K211 PolarHBondContact O-N 3.13Å; I209-L212 HydrophobicContact CG2-CD1 4.5Å; I209-L212 WeakPolarHBondContact O-CB 3.49Å; I209-L212 PolarHBondContact O-N 2.84Å; I209-K219 HydrophobicContact CG2-CB 4.34Å; I209-K219 HydrophobicContact CG2-CG 4.5Å; I209-L222 HydrophobicContact CD1-CB 4.28Å; I209-L222 HydrophobicContact CG2-CB 3.91Å; I209-L222 HydrophobicContact CG2-CD1 4.21Å; I209-K223 HydrophobicContact CB-CG 4.39Å; I209-K223 HydrophobicContact CD1-CG 4.25Å; I209-K223 HydrophobicContact CG2-CG 4.11Å
210D84.6Confident85.3Confident83 Ų8369.4 Ų69.444%0.44440%0.404SS..G310 helixtrans-64.2-26.3177.6-71.9-44.2000113.5L208 K219 K223L208-D210 PolarHBondContact O-N 2.86Å; D210-K219 WeakPolarHBondContact O-CE 3.42Å; D210-K219 PolarHBondContact O-NZ 3.02Å; D210-K223 VanDerWaalsContact CG-CE 3.47Å; D210-K223 WeakPolarHBondContact OD1-CE 3.46Å; D210-K223 IonicContact OD1-NZ 2.67Å; D210-K223 PolarHBondContact OD1-NZ 3.35Å; D210-K223 VanDerWaalsContact OD2-CE 3.26Å; D210-K223 WeakPolarHBondContact OD2-CE 3.44Å; D210-K223 IonicContact OD2-NZ 3.87Å; D210-K223 PolarHBondContact OD2-NZ 3.45Å
211K87.2Confident85.3Confident168 Ų16871 Ų7173%0.7341%0.41SS*.G310 helixtrans-85.1-8.6-178.6-59.9-168.9-179.1-178.60113.5L208 I209L208-K211 HydrophobicContact CD2-CD 4.04Å; L208-K211 WeakPolarHBondContact O-CB 3.43Å; L208-K211 PolarHBondContact O-N 3.06Å; I209-K211 PolarHBondContact O-N 3.13Å
212L86.6Confident85.4Confident40 Ų4070.5 Ų70.521%0.20941%0.407CS..SBendtrans-66.6145.2177.7-65.1174.8000110.7I200 T204 I209 L214 K219 L222I200-L212 HydrophobicContact CG2-CD1 3.69Å; T204-L212 HydrophobicContact CG2-CD1 4.25Å; T204-L212 HydrophobicContact CG2-CD2 4.37Å; T204-L212 HydrophobicContact CG2-CG 4.42Å; I209-L212 HydrophobicContact CG2-CD1 4.5Å; I209-L212 WeakPolarHBondContact O-CB 3.49Å; I209-L212 PolarHBondContact O-N 2.84Å; L212-L214 HydrophobicContact CB-CB 4.41Å; L212-L214 HydrophobicContact CB-CD1 3.98Å; L212-L214 HydrophobicContact CB-CG 4.01Å; L212-L214 HydrophobicContact CD1-CD1 3.86Å; L212-L214 PolarHBondContact O-N 3.46Å; L212-K219 WeakPolarHBondContact O-CE 3.48Å; L212-K219 PolarHBondContact O-NZ 3.19Å; L212-L222 HydrophobicContact CD1-CD1 4.37Å
213P88.9Confident85.6Confident130 Ų13069.9 Ų69.984%0.84439%0.394SS*.SBendtrans-78.356.4174.334.1-36000110.8
214L85.9Confident85.8Confident58 Ų5868.9 Ų68.930%0.30439%0.388SS..SBendtrans-120.4151.8-177.5-64.1175.6000111.3I200 L212 I218 K219 L222I200-L214 HydrophobicContact CD1-CD1 4.39Å; L212-L214 HydrophobicContact CB-CB 4.41Å; L212-L214 HydrophobicContact CB-CD1 3.98Å; L212-L214 HydrophobicContact CB-CG 4.01Å; L212-L214 HydrophobicContact CD1-CD1 3.86Å; L212-L214 PolarHBondContact O-N 3.46Å; L214-I218 HydrophobicContact CD1-CG2 4.24Å; L214-K219 HydrophobicContact CB-CG 4.18Å; L214-K219 WeakPolarHBondContact O-CD 3.46Å; L214-K219 WeakPolarHBondContact O-CE 3.3Å; L214-K219 PolarHBondContact O-NZ 3.04Å; L214-L222 HydrophobicContact CD1-CD1 3.83Å
215P90.4Very high85.8Confident81 Ų8169 Ų6953%0.52639%0.387SS..  trans-55.1148172.3-25.633.3000113.3A217 I218 K219P215-A217 VanDerWaalsContact C-N 3.26Å; P215-A217 PolarHBondContact O-N 2.52Å; P215-I218 HydrophobicContact CB-CG1 4.39Å; P215-I218 HydrophobicContact CG-CD1 4.18Å; P215-I218 PolarHBondContact O-N 3.11Å; P215-K219 PolarHBondContact O-N 2.78Å
216V87.2Confident85.8Confident121 Ų12166.8 Ų66.873%0.73337%0.372SS*.Hα-helixtrans-57-38.4-177.5-178.40000112.2I218 K219 S220V216-I218 PolarHBondContact O-N 2.83Å; V216-K219 PolarHBondContact O-N 3.43Å; V216-S220 WeakPolarHBondContact O-CB 3.31Å; V216-S220 PolarHBondContact O-N 3.21Å
217A84.9Confident85.6Confident78 Ų7871.5 Ų71.565%0.64539%0.394SS*.Hα-helixtrans-61-42.3176.800000112.4P215 H221P215-A217 VanDerWaalsContact C-N 3.26Å; P215-A217 PolarHBondContact O-N 2.52Å; A217-H221 WeakPolarHBondContact O-CB 3.3Å; A217-H221 PolarHBondContact O-N 3.34Å
218I86.4Confident85.3Confident74 Ų7469 Ų6938%0.37940%0.397SS..Hα-helixtrans-70.4-41.9178.7-59.2-174.6000110.2L214 P215 V216 S220 H221 L222L214-I218 HydrophobicContact CD1-CG2 4.24Å; P215-I218 HydrophobicContact CB-CG1 4.39Å; P215-I218 HydrophobicContact CG-CD1 4.18Å; P215-I218 PolarHBondContact O-N 3.11Å; V216-I218 PolarHBondContact O-N 2.83Å; I218-S220 PolarHBondContact O-N 2.83Å; I218-H221 PolarHBondContact O-N 2.97Å; I218-L222 HydrophobicContact CG2-CD1 4Å; I218-L222 HydrophobicContact CG2-CG 4.26Å; I218-L222 WeakPolarHBondContact O-CB 3.48Å; I218-L222 VanDerWaalsContact O-CG 3.26Å; I218-L222 WeakPolarHBondContact O-CG 3.27Å; I218-L222 PolarHBondContact O-N 3.01Å
219K87.3Confident84.4Confident38 Ų3870.3 Ų70.317%0.16540%0.404CS..Hα-helixtrans-59.3-45175.2-70.6175.5171177.40112.4I209 D210 L212 L214 P215 V216 H221 L222 K223I209-K219 HydrophobicContact CG2-CB 4.34Å; I209-K219 HydrophobicContact CG2-CG 4.5Å; D210-K219 WeakPolarHBondContact O-CE 3.42Å; D210-K219 PolarHBondContact O-NZ 3.02Å; L212-K219 WeakPolarHBondContact O-CE 3.48Å; L212-K219 PolarHBondContact O-NZ 3.19Å; L214-K219 HydrophobicContact CB-CG 4.18Å; L214-K219 WeakPolarHBondContact O-CD 3.46Å; L214-K219 WeakPolarHBondContact O-CE 3.3Å; L214-K219 PolarHBondContact O-NZ 3.04Å; P215-K219 PolarHBondContact O-N 2.78Å; V216-K219 PolarHBondContact O-N 3.43Å; K219-H221 VanDerWaalsContact C-N 3.33Å; K219-H221 PolarHBondContact O-N 3.19Å; K219-L222 PolarHBondContact O-N 3.16Å; K219-K223 WeakPolarHBondContact O-CG 3.07Å; K219-K223 PolarHBondContact O-N 2.7Å
220S86.8Confident83.2Confident68 Ų6872.9 Ų72.948%0.47643%0.431SS..Hα-helixtrans-61.5-43176.5-175.60000111.3V216 I218 K223 S224V216-S220 WeakPolarHBondContact O-CB 3.31Å; V216-S220 PolarHBondContact O-N 3.21Å; I218-S220 PolarHBondContact O-N 2.83Å; S220-K223 PolarHBondContact O-N 2.9Å; S220-S224 WeakPolarHBondContact O-CB 3.44Å; S220-S224 PolarHBondContact O-N 3.17Å; S220-S224 PolarHBondContact O-OG 2.9Å
221H86.1Confident81.9Confident78 Ų7872.3 Ų72.336%0.36143%0.426SS..Hα-helixtrans-64.5-44.2176.8-161.687.8000112.2A217 I218 K219 K223 S224 F225A217-H221 WeakPolarHBondContact O-CB 3.3Å; A217-H221 PolarHBondContact O-N 3.34Å; I218-H221 PolarHBondContact O-N 2.97Å; K219-H221 VanDerWaalsContact C-N 3.33Å; K219-H221 PolarHBondContact O-N 3.19Å; H221-K223 PolarHBondContact O-N 3.28Å; H221-S224 PolarHBondContact O-N 3.41Å; H221-F225 VanDerWaalsContact O-CB 3.29Å; H221-F225 WeakPolarHBondContact O-CB 3.34Å; H221-F225 PolarHBondContact O-N 2.92Å
222L87.9Confident80.1Confident0 Ų068.2 Ų68.20%041%0.412CS..Hα-helixtrans-60.7-42.2176.1-73169.6000112.5C197 I200 V201 I209 L212 L214 I218 K219 F225 S226C197-L222 HydrophobicContact CB-CD2 3.81Å; I200-L222 HydrophobicContact CB-CD2 4.02Å; I200-L222 HydrophobicContact CD1-CD1 4.3Å; I200-L222 HydrophobicContact CD1-CD2 4.19Å; I200-L222 HydrophobicContact CG2-CD1 3.93Å; I200-L222 HydrophobicContact CG2-CD2 4.07Å; V201-L222 HydrophobicContact CG2-CD2 4.15Å; I209-L222 HydrophobicContact CD1-CB 4.28Å; I209-L222 HydrophobicContact CG2-CB 3.91Å; I209-L222 HydrophobicContact CG2-CD1 4.21Å; L212-L222 HydrophobicContact CD1-CD1 4.37Å; L214-L222 HydrophobicContact CD1-CD1 3.83Å; I218-L222 HydrophobicContact CG2-CD1 4Å; I218-L222 HydrophobicContact CG2-CG 4.26Å; I218-L222 WeakPolarHBondContact O-CB 3.48Å; I218-L222 VanDerWaalsContact O-CG 3.26Å; I218-L222 WeakPolarHBondContact O-CG 3.27Å; I218-L222 PolarHBondContact O-N 3.01Å; K219-L222 PolarHBondContact O-N 3.16Å; L222-F225 PolarHBondContact O-N 2.87Å; L222-S226 WeakPolarHBondContact O-CB 3.23Å; L222-S226 PolarHBondContact O-N 2.87Å
223K84.9Confident78.1Confident66 Ų6670.7 Ų70.729%0.28744%0.438SS..Hα-helixtrans-62.1-47.5174.6-76179.5171.1-1760111.5I209 D210 K219 S220 H221 F225 S226 M227I209-K223 HydrophobicContact CB-CG 4.39Å; I209-K223 HydrophobicContact CD1-CG 4.25Å; I209-K223 HydrophobicContact CG2-CG 4.11Å; D210-K223 VanDerWaalsContact CG-CE 3.47Å; D210-K223 WeakPolarHBondContact OD1-CE 3.46Å; D210-K223 IonicContact OD1-NZ 2.67Å; D210-K223 PolarHBondContact OD1-NZ 3.35Å; D210-K223 VanDerWaalsContact OD2-CE 3.26Å; D210-K223 WeakPolarHBondContact OD2-CE 3.44Å; D210-K223 IonicContact OD2-NZ 3.87Å; D210-K223 PolarHBondContact OD2-NZ 3.45Å; K219-K223 WeakPolarHBondContact O-CG 3.07Å; K219-K223 PolarHBondContact O-N 2.7Å; S220-K223 PolarHBondContact O-N 2.9Å; H221-K223 PolarHBondContact O-N 3.28Å; K223-F225 VanDerWaalsContact C-N 3.32Å; K223-F225 PolarHBondContact O-N 3.45Å; K223-S226 PolarHBondContact O-N 2.94Å; K223-M227 VanDerWaalsContact O-CG 3.3Å; K223-M227 WeakPolarHBondContact O-CG 3.23Å; K223-M227 PolarHBondContact O-N 3.34Å
224S84Confident76.1Confident70 Ų7069.4 Ų69.449%0.4943%0.428SS..Hα-helixtrans-61.1-43.2178.6-55.60000111.1S220 H221 M227 A228S220-S224 WeakPolarHBondContact O-CB 3.44Å; S220-S224 PolarHBondContact O-N 3.17Å; S220-S224 PolarHBondContact O-OG 2.9Å; H221-S224 PolarHBondContact O-N 3.41Å; S224-M227 PolarHBondContact O-N 2.93Å; S224-A228 WeakPolarHBondContact O-CB 3.08Å; S224-A228 PolarHBondContact O-N 3.18Å
225F84Confident74Confident25 Ų2572.3 Ų72.311%0.1144%0.442CS..Hα-helixtrans-63.7-42.9176.4-172.7-88000112.7C197 R198 V201 H221 L222 K223 A228 N229C197-F225 HydrophobicContact CB-CD1 3.99Å; C197-F225 HydrophobicContact CB-CD2 4.13Å; C197-F225 HydrophobicContact CB-CE1 4.16Å; C197-F225 HydrophobicContact CB-CE2 4.29Å; C197-F225 HydrophobicContact CB-CG 3.97Å; C197-F225 HydrophobicContact CB-CZ 4.29Å; R198-F225 HydrophobicContact CB-CE1 4.02Å; R198-F225 HydrophobicContact CB-CZ 4.09Å; R198-F225 HydrophobicContact CG-CE1 4.47Å; V201-F225 HydrophobicContact CG2-CD1 4.29Å; H221-F225 VanDerWaalsContact O-CB 3.29Å; H221-F225 WeakPolarHBondContact O-CB 3.34Å; H221-F225 PolarHBondContact O-N 2.92Å; L222-F225 PolarHBondContact O-N 2.87Å; K223-F225 VanDerWaalsContact C-N 3.32Å; K223-F225 PolarHBondContact O-N 3.45Å; F225-A228 PolarHBondContact O-N 2.9Å; F225-N229 WeakPolarHBondContact CE1-ND2 3.48Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.32Å; F225-N229 WeakPolarHBondContact CZ-ND2 3.35Å; F225-N229 WeakPolarHBondContact O-CB 3.43Å; F225-N229 PolarHBondContact O-N 2.93Å; F225-N229 VanDerWaalsContact O-N 3.12Å
226S83.1Confident71.5Confident1 Ų177.1 Ų77.11%0.00746%0.459CS..Hα-helixtrans-62.5-42.5176.7-171.70000112.4V201 V206 L222 K223 G230 M231 N232V201-S226 WeakPolarHBondContact CG1-OG 3.29Å; V206-S226 WeakPolarHBondContact CG2-OG 3.1Å; L222-S226 WeakPolarHBondContact O-CB 3.23Å; L222-S226 PolarHBondContact O-N 2.87Å; K223-S226 PolarHBondContact O-N 2.94Å; S226-G230 PolarHBondContact O-N 3.12Å; S226-M231 PolarHBondContact O-N 3.43Å; S226-N232 PolarHBondContact OG-OD1 3.32Å
227M77.9Confident68.9Low126 Ų12679.7 Ų79.762%0.62146%0.463SS*.Hα-helixtrans-67.2-42.4178.1-66.7-62.8-168.500112V206 K223 S224 N229 N232V206-M227 HydrophobicContact CG1-CE 4.3Å; K223-M227 VanDerWaalsContact O-CG 3.3Å; K223-M227 WeakPolarHBondContact O-CG 3.23Å; K223-M227 PolarHBondContact O-N 3.34Å; S224-M227 PolarHBondContact O-N 2.93Å; M227-N229 PolarHBondContact O-N 3.42Å; M227-N232 PolarHBondContact SD-ND2 3.16Å
228A75.1Confident66.7Low82 Ų8279.7 Ų79.768%0.67847%0.47SS*.Hα-helixtrans-67.9-31.8-179.400000113.5S224 F225S224-A228 WeakPolarHBondContact O-CB 3.08Å; S224-A228 PolarHBondContact O-N 3.18Å; F225-A228 PolarHBondContact O-N 2.9Å
229N67.5Low63.9Low90 Ų9086.9 Ų86.948%0.48149%0.492SS..THydrogen-bonded Turntrans-994.5-176.3-72.9-23.7000114.5F225 M227 M231F225-N229 WeakPolarHBondContact CE1-ND2 3.48Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.32Å; F225-N229 WeakPolarHBondContact CZ-ND2 3.35Å; F225-N229 WeakPolarHBondContact O-CB 3.43Å; F225-N229 PolarHBondContact O-N 2.93Å; F225-N229 VanDerWaalsContact O-N 3.12Å; M227-N229 PolarHBondContact O-N 3.42Å; N229-M231 HydrophobicContact CB-CG 4.02Å; N229-M231 HydrophobicContact CB-SD 4.44Å; N229-M231 PolarHBondContact O-N 2.89Å; N229-M231 VanDerWaalsContact O-N 3.13Å
230G59.8Low61.1Low54 Ų5491 Ų9156%0.55753%0.526SS*.THydrogen-bonded Turntrans62.420.317500000114.8S226 N232S226-G230 PolarHBondContact O-N 3.12Å; G230-N232 PolarHBondContact O-N 2.99Å; G230-N232 VanDerWaalsContact O-N 3.11Å
231M58.3Low58.3Low70 Ų7095.4 Ų95.435%0.34553%0.533SS..G310 helixtrans-76.67.2-175.9-58-168.992.800113.4R198 V201 S226 N229 A233R198-M231 HydrophobicContact CG-CE 4.48Å; R198-M231 HydrophobicContact CG-SD 4.44Å; V201-M231 HydrophobicContact CG1-CB 4Å; V201-M231 HydrophobicContact CG1-SD 4.27Å; S226-M231 PolarHBondContact O-N 3.43Å; N229-M231 HydrophobicContact CB-CG 4.02Å; N229-M231 HydrophobicContact CB-SD 4.44Å; N229-M231 PolarHBondContact O-N 2.89Å; N229-M231 VanDerWaalsContact O-N 3.13Å; M231-A233 VanDerWaalsContact C-N 3.26Å; M231-A233 PolarHBondContact O-N 2.98Å
232N49.8Very low55.5Low82 Ų8297.3 Ų97.344%0.43956%0.556SS.*G310 helixtrans-770-179.1-76.7-35.9000115.2V206 S226 M227 G230V206-N232 WeakPolarHBondContact CG2-OD1 3.29Å; S226-N232 PolarHBondContact OG-OD1 3.32Å; M227-N232 PolarHBondContact SD-ND2 3.16Å; G230-N232 PolarHBondContact O-N 2.99Å; G230-N232 VanDerWaalsContact O-N 3.11Å
233A44.2Very low53.2Low92 Ų92105.8 Ų105.876%0.7660%0.6SS**G310 helixtrans-974.7-17100000115.4M231M231-A233 VanDerWaalsContact C-N 3.26Å; M231-A233 PolarHBondContact O-N 2.98Å
234V47.5Very low50.5Low104 Ų104107.4 Ų107.463%0.6363%0.626SS**  trans-114.3128-175.7-171.40000111.3
235M41.6Very low47.9Very low119 Ų119111.7 Ų111.759%0.58664%0.643SS**  trans9865.5174.6-52-148.3-78.800117.1
236M37.3Very low45.5Very low182 Ų182116.6 Ų116.690%0.89768%0.677SS**SBendtrans-111.2128.7130.3-77-70.5-178.400107.3
237H33.3Very low43Very low175 Ų175121.1 Ų121.181%0.8172%0.715SS**SBendtrans81.7107.5-170.5-63.7-59.2000117.8R239H237-R239 PolarHBondContact O-N 3.3Å
238G37.7Very low40.8Very low77 Ų77119.2 Ų119.279%0.79473%0.728SS**  trans-62.7123.9166.200000111.7
239R28Very low38.4Very low225 Ų225118.7 Ų118.785%0.84973%0.73SS**  trans-166.9134.2144.8-104.2167.7-173.6-160.91.9107.3H237H237-R239 PolarHBondContact O-N 3.3Å
240S27.9Very low36.6Very low125 Ų125119.9 Ų119.987%0.87475%0.746SS**  trans-48.6136.1-175.2-50.80000113.3
241Y28.5Very low35.1Very low160 Ų160126.8 Ų126.863%0.62776%0.76SS**  trans-97108.6171.4-40.5-78.6000109.7
242S26.9Very low33.7Very low118 Ų118127.6 Ų127.683%0.82578%0.778SS**  trans-74.5139.5144.1-53.50000107.9
243L39.5Very low32.7Very low179 Ų179132 Ų13294%0.93780%0.802SS**  trans-43.3137.3-179.2-72.7137.4000114.8
244A29.3Very low31.9Very low100 Ų100132.3 Ų132.383%0.82680%0.798SS**  trans-156124.9150.700000112.6
245N29.2Very low31.1Very low159 Ų159136 Ų13685%0.8581%0.814SS**  trans-55.2151.2162.8-99.5-12.9000111.6A247N245-A247 PolarHBondContact O-N 3.12Å
246P33.8Very low30.5Very low128 Ų128139.7 Ų139.783%0.83183%0.826SS**  trans-83.8111.4175.932.7-28.2000110.4
247A29.5Very low30.1Very low97 Ų97142.5 Ų142.580%0.80283%0.827SS**  trans-93.2135153.800000108N245N245-A247 PolarHBondContact O-N 3.12Å
248G31.3Very low29.9Very low86 Ų86139.3 Ų139.389%0.88782%0.824SS**  trans-68.6162.9-178.700000113.8
249G25.3Very low29.6Very low71 Ų71145.1 Ų145.173%0.73283%0.828SS**  trans151.495.3164.100000116.5
250S30.9Very low29.9Very low114 Ų114140.1 Ų140.180%0.79782%0.824SS**  46.2122128.7-45.80000121.5
251K26.6Very low30Very low199 Ų199141.1 Ų141.187%0.86583%0.825SS**  161.5112.8117.8-88.9172.4-179.6-179.70109.4
252A30.5Very low30.1Very low87 Ų87144.4 Ų144.472%0.71984%0.836SS**  74114.99400000113.9
253N27.3Very low30.9Very low175 Ų175143.6 Ų143.694%0.93683%0.828SS**  trans-153.8135.2137.9-113.3-13.2000112.3
254S28.4Very low31.3Very low99 Ų99140 Ų14069%0.69282%0.816SS**  trans-88.9152.8-172.487.50000111.9
255L30Very low31.4Very low182 Ų182144.4 Ų144.495%0.95382%0.819SS**  trans-144.2137.1152.6-97.6156.6000110.2
256K29.7Very low31.6Very low195 Ų195142 Ų14285%0.84881%0.814SS**  trans-89.2150.7-164.3-66.2170.8174.2174.70114
257R28.2Very low32.2Very low242 Ų242141.4 Ų141.491%0.91381%0.811SS**  trans165.7147132.2-102.1179.7166-177.2-4.2107.8
258S28.7Very low32.8Very low107 Ų107142.7 Ų142.775%0.74881%0.811SS**  cis-170.9144.5-8.434.80000105.5
259K32.6Very low33.1Very low200 Ų200146.8 Ų146.887%0.8781%0.807SS**  trans-74.3167.1175.8-68.2-178.7175.41760111.9
260P34Very low33.4Very low119 Ų119150.2 Ų150.277%0.77381%0.808SS**  -144.1153.693.626.1-4.4000117.7
261V30.8Very low33.4Very low147 Ų147150.4 Ų150.489%0.89181%0.808SS**  trans79.2141.1143.7-179.60000121.4
262R30.4Very low33.8Very low228 Ų228147.1 Ų147.186%0.8681%0.806SS**  trans-124.6-173.6-170.7-125.8-163.5-168.7-1605.6108.1
263P42.8Very low34.1Very low102 Ų102155.2 Ų155.266%0.66282%0.817SS**  cis-135-142.1-34.734.5-11.5000110.2
264P47.5Very low34.6Very low104 Ų104152.5 Ų152.568%0.67581%0.812SS**  -120.3177.5-57.526.5-6.4000112.6
265Q32.4Very low35Very low192 Ų192155.4 Ų155.490%0.89782%0.82SS**  169.9151.2124.4-90.3177.212.500112.5
266S33.6Very low35.3Very low107 Ų107152.8 Ų152.875%0.74882%0.815SS**  trans-138.2174.4175.250.70000107.6
267P45.7Very low35.6Very low116 Ų116152.9 Ų152.975%0.75382%0.816SS**  cis-116.2-161-47.535-15.1000109.9
268P43.1Very low36.2Very low125 Ų125148.7 Ų148.781%0.81281%0.81SS**  -153.2179.889.338.4-16.9000116.9
269Q37.2Very low37.1Very low171 Ų171152.7 Ų152.780%0.79984%0.838SS**  trans-77.2172.1-177-61.5172-57.400115.6
270N31Very low37.3Very low143 Ų143150.3 Ų150.377%0.76584%0.836SS**  trans88.9121.2152.9-71-13.6000119.9
271C30.5Very low37.5Very low118 Ų118151.9 Ų151.980%0.79784%0.839SS**  trans-169.299.7137.1-96.40000107.9
272T35.6Very low37.8Very low131 Ų131152.2 Ų152.280%0.80484%0.837SS**  81114.8101.547.30000115.7
273R36.9Very low38.3Very low256 Ų256147.8 Ų147.897%0.96684%0.835SS**  trans-56.2139.3159.8-80.9173.1165.3167.3-5.5110.4
274S37.6Very low38Very low119 Ų119150.6 Ų150.683%0.83285%0.846SS**  trans-139.9128.5148.653.40000110.3
275N36.8Very low37.4Very low160 Ų160153.7 Ų153.786%0.85686%0.857SS**  trans-67.2148.1164.6-77.9-31.7000109.7
276C35.8Very low37.7Very low126 Ų126151 Ų15185%0.85185%0.854SS**  trans-156.7112.8137.4-99.30000110.2
277K37.3Very low38Very low198 Ų198154.4 Ų154.486%0.86186%0.863SS**  trans-60.6153.2148.6-76.8173.9170.7177.50108.2
278I39.7Very low37.4Very low154 Ų154157.6 Ų157.679%0.7987%0.872SS**  trans-168.1129.5133.3-91.7144.7000108.2
279S47.5Very low36.9Very low190 Ų190160.5 Ų160.5100%1.32988%0.877SS**  trans47.70153.2-56.10000121.1

Retrieved 279 of 279 residues in 219.9 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).