A0A087XDI8_POEFO Loading...

Glycoprotein M6B

AlphaFold DB , UniProt , Accession A0A087XDI8, Species POEFO (Poecilia formosa, Amazon molly), Gene GPM6B, Length 245 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
1M49.9Very low61.3Low226 Ų226115.4 Ų115.4100%1.11364%0.635SS**  0-6.50-86.3136.4167.200115.1
2G58.6Low61.3Low52 Ų52110.5 Ų110.554%0.53663%0.631SS.*Hα-helixtrans-87.8-14.9-171.800000119.4C6G2-C6 WeakPolarHBondContact O-CB 3.47Å; G2-C6 PolarHBondContact O-N 3.32Å
3C60.8Low61.5Low113 Ų113102.6 Ų102.676%0.76459%0.589SS**Hα-helixtrans-79-34.3-176.6-160.40000112.6C7C3-C7 VanDerWaalsContact O-CB 3.32Å; C3-C7 WeakPolarHBondContact O-CB 3.49Å; C3-C7 PolarHBondContact O-N 3.34Å
4F60Low62.4Low165 Ų16598.1 Ų98.172%0.72456%0.564SS**Hα-helixtrans-74-38.7-178.5-144.8-91.9000112.1C7 I8F4-C7 WeakPolarHBondContact O-CB 3.36Å; F4-C7 PolarHBondContact O-N 3.41Å; F4-I8 HydrophobicContact CD1-CD1 3.62Å; F4-I8 HydrophobicContact CD1-CG1 4.21Å; F4-I8 HydrophobicContact CE1-CD1 3.89Å; F4-I8 HydrophobicContact CE1-CG1 4.41Å; F4-I8 VanDerWaalsContact O-CG1 3.3Å; F4-I8 WeakPolarHBondContact O-CG1 3.29Å; F4-I8 PolarHBondContact O-N 3.17Å
5E67.3Low63.8Low135 Ų13592.5 Ų92.563%0.63153%0.532SS*.Hα-helixtrans-69.1-34.7173.4-73-178.6130.200112.5K9E5-K9 WeakPolarHBondContact O-CB 3.37Å; E5-K9 WeakPolarHBondContact O-CG 3.26Å; E5-K9 PolarHBondContact O-N 2.94Å
6C62.5Low65.1Low76 Ų7694.6 Ų94.651%0.51453%0.53SS..Hα-helixtrans-66.3-41.6172.3-157.20000110.7G2 K9 C10G2-C6 WeakPolarHBondContact O-CB 3.47Å; G2-C6 PolarHBondContact O-N 3.32Å; C6-K9 PolarHBondContact O-N 3Å; C6-C10 WeakPolarHBondContact O-CB 3.36Å; C6-C10 PolarHBondContact O-N 3.3Å; C6-C10 PolarHBondContact O-SG 3.49Å
7C62.3Low66.4Low64 Ų6492 Ų9243%0.43252%0.523SS..Hα-helixtrans-62.8-45.5174.4-165.60000111.9C3 F4 K9 C10 L11C3-C7 VanDerWaalsContact O-CB 3.32Å; C3-C7 WeakPolarHBondContact O-CB 3.49Å; C3-C7 PolarHBondContact O-N 3.34Å; F4-C7 WeakPolarHBondContact O-CB 3.36Å; F4-C7 PolarHBondContact O-N 3.41Å; C7-K9 PolarHBondContact O-N 3.14Å; C7-C10 PolarHBondContact O-N 3.45Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 VanDerWaalsContact O-CD1 3.24Å; C7-L11 WeakPolarHBondContact O-CD1 3.47Å; C7-L11 PolarHBondContact O-N 3.21Å; C7-L11 WeakPolarHBondContact SG-CD1 3.09Å
8I65.8Low67.6Low104 Ų10487 Ų8753%0.53350%0.495SS..Hα-helixtrans-63.9-39.7176.6-70.4169000111.4F4 G12F4-I8 HydrophobicContact CD1-CD1 3.62Å; F4-I8 HydrophobicContact CD1-CG1 4.21Å; F4-I8 HydrophobicContact CE1-CD1 3.89Å; F4-I8 HydrophobicContact CE1-CG1 4.41Å; F4-I8 VanDerWaalsContact O-CG1 3.3Å; F4-I8 WeakPolarHBondContact O-CG1 3.29Å; F4-I8 PolarHBondContact O-N 3.17Å; I8-G12 PolarHBondContact O-N 2.87Å
9K62.6Low68.8Low158 Ų15885.7 Ų85.769%0.68749%0.486SS*.Hα-helixtrans-65.9-37.6173.3-82.6-179.5171.9179.20112.5E5 C6 C7 G13E5-K9 WeakPolarHBondContact O-CB 3.37Å; E5-K9 WeakPolarHBondContact O-CG 3.26Å; E5-K9 PolarHBondContact O-N 2.94Å; C6-K9 PolarHBondContact O-N 3Å; C7-K9 PolarHBondContact O-N 3.14Å; K9-G13 PolarHBondContact O-N 2.7Å; K9-G13 VanDerWaalsContact O-N 3.12Å
10C62.9Low70.1Confident84 Ų8485.6 Ų85.657%0.56849%0.487SS*.Hα-helixtrans-69.2-43.1174.9-73.50000112.3C6 C7 G13C6-C10 WeakPolarHBondContact O-CB 3.36Å; C6-C10 PolarHBondContact O-N 3.3Å; C6-C10 PolarHBondContact O-SG 3.49Å; C7-C10 PolarHBondContact O-N 3.45Å; C10-G13 PolarHBondContact O-N 2.9Å
11L62Low71.2Confident92 Ų9281.5 Ų81.548%0.48246%0.464SS..Hα-helixtrans-64.3-40174-91.4112.7000111.3C7 G13 V14 Y16C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 VanDerWaalsContact O-CD1 3.24Å; C7-L11 WeakPolarHBondContact O-CD1 3.47Å; C7-L11 PolarHBondContact O-N 3.21Å; C7-L11 WeakPolarHBondContact SG-CD1 3.09Å; L11-G13 PolarHBondContact O-N 3.45Å; L11-V14 PolarHBondContact O-N 3.25Å; L11-Y16 VanDerWaalsContact O-CE2 3.3Å; L11-Y16 WeakPolarHBondContact O-CE2 3.29Å; L11-Y16 PolarHBondContact O-OH 2.83Å; L11-Y16 VanDerWaalsContact O-OH 3.05Å
12G61.3Low73.3Confident57 Ų5771.1 Ų71.159%0.58841%0.413SS*.Hα-helixtrans-67.7-16.8174.300000114.5I8I8-G12 PolarHBondContact O-N 2.87Å
13G63.9Low75Confident8 Ų873.7 Ų73.78%0.08241%0.414CS..THydrogen-bonded Turntrans-90.6-2.617800000115.1K9 C10 L11 T94K9-G13 PolarHBondContact O-N 2.7Å; K9-G13 VanDerWaalsContact O-N 3.12Å; C10-G13 PolarHBondContact O-N 2.9Å; L11-G13 PolarHBondContact O-N 3.45Å; G13-T94 WeakPolarHBondContact O-CG2 3.49Å
14V73.9Confident76.7Confident40 Ų4070.8 Ų70.824%0.24239%0.39CS..SBendtrans-81.5126.9178.6-177.30000110L11 Y16 L19 F91L11-V14 PolarHBondContact O-N 3.25Å; V14-Y16 HydrophobicContact CB-CD2 4.48Å; V14-Y16 HydrophobicContact CB-CE1 4.37Å; V14-Y16 HydrophobicContact CB-CE2 4.16Å; V14-Y16 HydrophobicContact CG1-CD1 4.37Å; V14-Y16 HydrophobicContact CG1-CE1 4.35Å; V14-Y16 WeakPolarHBondContact O-CD2 3.4Å; V14-Y16 PolarHBondContact O-N 3.2Å; V14-L19 HydrophobicContact CG1-CD1 4.16Å; V14-F91 HydrophobicContact CG1-CE1 4.16Å; V14-F91 HydrophobicContact CG1-CZ 4.28Å
15P83.1Confident78.4Confident13 Ų1363 Ų638%0.08436%0.356CS..  trans-74.977.5173.334.1-37.3000109.8A17 S18 L19 F91P15-A17 PolarHBondContact O-N 2.93Å; P15-A17 VanDerWaalsContact O-N 3.14Å; P15-S18 PolarHBondContact O-N 3.05Å; P15-L19 PolarHBondContact O-N 3.34Å; P15-F91 HydrophobicContact CG-CD1 3.99Å; P15-F91 HydrophobicContact CG-CD2 4.09Å; P15-F91 HydrophobicContact CG-CE1 4.14Å; P15-F91 HydrophobicContact CG-CE2 4.22Å; P15-F91 HydrophobicContact CG-CG 3.96Å; P15-F91 HydrophobicContact CG-CZ 4.24Å
16Y84.6Confident79.8Confident126 Ų12659.5 Ų59.549%0.49434%0.339SS..Hα-helixtrans-53.1-37.7-177.3-69-76.8000112.9L11 V14 L19 V20L11-Y16 VanDerWaalsContact O-CE2 3.3Å; L11-Y16 WeakPolarHBondContact O-CE2 3.29Å; L11-Y16 PolarHBondContact O-OH 2.83Å; L11-Y16 VanDerWaalsContact O-OH 3.05Å; V14-Y16 HydrophobicContact CB-CD2 4.48Å; V14-Y16 HydrophobicContact CB-CE1 4.37Å; V14-Y16 HydrophobicContact CB-CE2 4.16Å; V14-Y16 HydrophobicContact CG1-CD1 4.37Å; V14-Y16 HydrophobicContact CG1-CE1 4.35Å; V14-Y16 WeakPolarHBondContact O-CD2 3.4Å; V14-Y16 PolarHBondContact O-N 3.2Å; Y16-L19 PolarHBondContact O-N 3.2Å; Y16-V20 WeakPolarHBondContact O-CG2 3.22Å; Y16-V20 PolarHBondContact O-N 3.12Å
17A87.1Confident81.4Confident51 Ų5158.2 Ų58.242%0.42133%0.331SS..Hα-helixtrans-61.8-49.5175.900000112.2P15 L19 V20 A21 I221 A225P15-A17 PolarHBondContact O-N 2.93Å; P15-A17 VanDerWaalsContact O-N 3.14Å; A17-L19 VanDerWaalsContact C-N 3.32Å; A17-L19 PolarHBondContact O-N 2.96Å; A17-V20 PolarHBondContact O-N 3.26Å; A17-A21 VanDerWaalsContact O-CB 3.29Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.27Å; A17-I221 HydrophobicContact CB-CG2 4.43Å; A17-A225 HydrophobicContact CB-CB 4.3Å
18S88.6Confident83Confident2 Ų255.2 Ų55.21%0.01431%0.31CS..Hα-helixtrans-66.4-34.4178-55.20000112P15 T22P15-S18 PolarHBondContact O-N 3.05Å; S18-T22 WeakPolarHBondContact O-CB 3.35Å; S18-T22 PolarHBondContact O-N 2.94Å; S18-T22 PolarHBondContact O-OG1 2.88Å
19L90.6Very high84.5Confident62 Ų6250.6 Ų50.633%0.32529%0.287SS..Hα-helixtrans-65.9-49.8176.6-173.1149.4000111.5V14 P15 Y16 A17 A21 T22 I23 L87V14-L19 HydrophobicContact CG1-CD1 4.16Å; P15-L19 PolarHBondContact O-N 3.34Å; Y16-L19 PolarHBondContact O-N 3.2Å; A17-L19 VanDerWaalsContact C-N 3.32Å; A17-L19 PolarHBondContact O-N 2.96Å; L19-A21 VanDerWaalsContact C-N 3.32Å; L19-A21 PolarHBondContact O-N 3.05Å; L19-T22 WeakPolarHBondContact O-CB 3.19Å; L19-T22 PolarHBondContact O-N 3.3Å; L19-T22 VanDerWaalsContact O-N 3.16Å; L19-I23 HydrophobicContact CD2-CD1 3.65Å; L19-I23 WeakPolarHBondContact O-CG1 3.42Å; L19-I23 PolarHBondContact O-N 2.8Å; L19-I23 VanDerWaalsContact O-N 3.1Å; L19-L87 HydrophobicContact CB-CD1 4.3Å
20V93.4Very high86.1Confident83 Ų8346.1 Ų46.150%0.50328%0.279SS..Hα-helixtrans-61.7-42.8176172.50000110.7Y16 A17 T22 I23 L24Y16-V20 WeakPolarHBondContact O-CG2 3.22Å; Y16-V20 PolarHBondContact O-N 3.12Å; A17-V20 PolarHBondContact O-N 3.26Å; V20-T22 VanDerWaalsContact C-N 3.29Å; V20-T22 PolarHBondContact O-N 3.07Å; V20-I23 PolarHBondContact O-N 3.32Å; V20-L24 WeakPolarHBondContact O-CB 3.43Å; V20-L24 PolarHBondContact O-N 3.27Å
21A94.1Very high87.7Confident0 Ų045.7 Ų45.70%027%0.271CS..Hα-helixtrans-58.7-40.3174.900000112A17 L19 L24 C25 A218 I221 Y222A17-A21 VanDerWaalsContact O-CB 3.29Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.27Å; L19-A21 VanDerWaalsContact C-N 3.32Å; L19-A21 PolarHBondContact O-N 3.05Å; A21-L24 PolarHBondContact O-N 3.04Å; A21-C25 WeakPolarHBondContact O-CB 3.15Å; A21-C25 PolarHBondContact O-N 3.34Å; A21-A218 WeakPolarHBondContact O-CB 3.24Å; A21-I221 HydrophobicContact CB-CB 3.94Å; A21-I221 HydrophobicContact CB-CG2 3.75Å; A21-Y222 HydrophobicContact CB-CD1 3.81Å; A21-Y222 HydrophobicContact CB-CD2 3.86Å; A21-Y222 HydrophobicContact CB-CE1 3.81Å; A21-Y222 HydrophobicContact CB-CE2 3.87Å; A21-Y222 HydrophobicContact CB-CG 3.86Å
22T94Very high89.3Confident8 Ų842.7 Ų42.75%0.04925%0.254CS..Hα-helixtrans-64.1-47.3178.6-500000111.8S18 L19 V20 L24 C25 F26 L87 Y222S18-T22 WeakPolarHBondContact O-CB 3.35Å; S18-T22 PolarHBondContact O-N 2.94Å; S18-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 WeakPolarHBondContact O-CB 3.19Å; L19-T22 PolarHBondContact O-N 3.3Å; L19-T22 VanDerWaalsContact O-N 3.16Å; V20-T22 VanDerWaalsContact C-N 3.29Å; V20-T22 PolarHBondContact O-N 3.07Å; T22-L24 VanDerWaalsContact C-N 3.32Å; T22-L24 PolarHBondContact O-N 3.04Å; T22-C25 PolarHBondContact O-N 3.4Å; T22-F26 HydrophobicContact CG2-CD1 4.39Å; T22-F26 HydrophobicContact CG2-CD2 4.08Å; T22-F26 HydrophobicContact CG2-CE1 4.02Å; T22-F26 HydrophobicContact CG2-CE2 3.68Å; T22-F26 HydrophobicContact CG2-CG 4.43Å; T22-F26 HydrophobicContact CG2-CZ 3.64Å; T22-F26 WeakPolarHBondContact O-CB 3.37Å; T22-F26 WeakPolarHBondContact O-CG 3.28Å; T22-F26 PolarHBondContact O-N 3.04Å; T22-L87 HydrophobicContact CG2-CD2 4.3Å; T22-Y222 WeakPolarHBondContact CA-OH 3.01Å; T22-Y222 VanDerWaalsContact CB-OH 3.23Å; T22-Y222 WeakPolarHBondContact CB-OH 3Å; T22-Y222 PolarHBondContact N-OH 2.86Å; T22-Y222 PolarHBondContact OG1-OH 3.01Å
23I95.3Very high90.9Very high107 Ų10740.4 Ų40.455%0.54923%0.229SC..Hα-helixtrans-62.3-43.7178.6-64.2171000110.4L19 V20 F26 S27L19-I23 HydrophobicContact CD2-CD1 3.65Å; L19-I23 WeakPolarHBondContact O-CG1 3.42Å; L19-I23 PolarHBondContact O-N 2.8Å; L19-I23 VanDerWaalsContact O-N 3.1Å; V20-I23 PolarHBondContact O-N 3.32Å; I23-F26 PolarHBondContact O-N 2.87Å; I23-S27 WeakPolarHBondContact O-CB 3.39Å; I23-S27 PolarHBondContact O-N 3.32Å; I23-S27 PolarHBondContact O-OG 2.98Å
24L95.6Very high92.4Very high52 Ų5241.8 Ų41.827%0.27224%0.244SC..Hα-helixtrans-67.4-39.1179.1-169.166.2000111.7V20 A21 T22 S27 G28 A214 I217 A218 I221V20-L24 WeakPolarHBondContact O-CB 3.43Å; V20-L24 PolarHBondContact O-N 3.27Å; A21-L24 PolarHBondContact O-N 3.04Å; T22-L24 VanDerWaalsContact C-N 3.32Å; T22-L24 PolarHBondContact O-N 3.04Å; L24-S27 WeakPolarHBondContact CA-OG 3.46Å; L24-S27 PolarHBondContact O-OG 3.44Å; L24-S27 VanDerWaalsContact O-OG 3.06Å; L24-G28 PolarHBondContact O-N 3.24Å; L24-A214 HydrophobicContact CD1-CB 4.12Å; L24-A214 HydrophobicContact CG-CB 4.43Å; L24-I217 HydrophobicContact CD2-CB 4.1Å; L24-I217 HydrophobicContact CD2-CG2 3.75Å; L24-A218 HydrophobicContact CB-CB 4.04Å; L24-A218 HydrophobicContact CD2-CB 4.19Å; L24-A218 HydrophobicContact CG-CB 4.14Å; L24-I221 HydrophobicContact CD2-CD1 4.24Å
25C96Very high93.4Very high2 Ų241 Ų411%0.01424%0.24CC..Hα-helixtrans-64.4-48.2176.2-167.20000110.9A21 T22 G28 V29 T215 A218 Y222A21-C25 WeakPolarHBondContact O-CB 3.15Å; A21-C25 PolarHBondContact O-N 3.34Å; T22-C25 PolarHBondContact O-N 3.4Å; C25-G28 PolarHBondContact O-N 3.08Å; C25-V29 WeakPolarHBondContact O-CB 3.34Å; C25-V29 VanDerWaalsContact O-CG2 3.31Å; C25-V29 WeakPolarHBondContact O-CG2 3.35Å; C25-V29 PolarHBondContact O-N 3.38Å; C25-T215 WeakPolarHBondContact O-CG2 3.42Å; C25-A218 HydrophobicContact CB-CB 3.68Å; C25-Y222 HydrophobicContact CB-CE2 4.06Å
26F95.7Very high93.8Very high61 Ų6140.8 Ų40.827%0.26824%0.24SC..Hα-helixtrans-65.2-44.3-179.2-72.2-1.9000112T22 I23 A30 F80 I84T22-F26 HydrophobicContact CG2-CD1 4.39Å; T22-F26 HydrophobicContact CG2-CD2 4.08Å; T22-F26 HydrophobicContact CG2-CE1 4.02Å; T22-F26 HydrophobicContact CG2-CE2 3.68Å; T22-F26 HydrophobicContact CG2-CG 4.43Å; T22-F26 HydrophobicContact CG2-CZ 3.64Å; T22-F26 WeakPolarHBondContact O-CB 3.37Å; T22-F26 WeakPolarHBondContact O-CG 3.28Å; T22-F26 PolarHBondContact O-N 3.04Å; I23-F26 PolarHBondContact O-N 2.87Å; F26-A30 WeakPolarHBondContact O-CB 3.47Å; F26-A30 PolarHBondContact O-N 3.4Å; F26-F80 HydrophobicContact CD2-CD2 4.49Å; F26-F80 HydrophobicContact CE1-CD2 4.18Å; F26-F80 HydrophobicContact CE2-CD2 4.04Å; F26-F80 AromaticContact CE2-CE2 3.99Å; F26-F80 HydrophobicContact CE2-CE2 3.99Å; F26-F80 AromaticContact CZ-CD2 3.86Å; F26-F80 HydrophobicContact CZ-CD2 3.86Å; F26-F80 HydrophobicContact CZ-CE2 4.17Å; F26-I84 HydrophobicContact CZ-CG1 4.17Å
27S96.8Very high94.3Very high49 Ų4936.9 Ų36.934%0.34323%0.226SC..Hα-helixtrans-64-45.817656.10000111.6I23 L24 A30 L31I23-S27 WeakPolarHBondContact O-CB 3.39Å; I23-S27 PolarHBondContact O-N 3.32Å; I23-S27 PolarHBondContact O-OG 2.98Å; L24-S27 WeakPolarHBondContact CA-OG 3.46Å; L24-S27 PolarHBondContact O-OG 3.44Å; L24-S27 VanDerWaalsContact O-OG 3.06Å; S27-A30 PolarHBondContact O-N 3.14Å; S27-L31 WeakPolarHBondContact O-CB 3.37Å; S27-L31 VanDerWaalsContact O-CG 3.24Å; S27-L31 WeakPolarHBondContact O-CG 3.42Å; S27-L31 PolarHBondContact O-N 3.05Å
28G96.6Very high94.5Very high0 Ų038 Ų380%023%0.227CC..Hα-helixtrans-65.5-41.8179.100000113.7L24 C25 L31 F32 G211 T215L24-G28 PolarHBondContact O-N 3.24Å; C25-G28 PolarHBondContact O-N 3.08Å; G28-L31 PolarHBondContact O-N 3.47Å; G28-F32 WeakPolarHBondContact O-CB 3.39Å; G28-F32 PolarHBondContact O-N 3.15Å; G28-G211 CarbonylContact C-O 3.45Å; G28-G211 VanDerWaalsContact CA-O 3.29Å; G28-G211 WeakPolarHBondContact CA-O 3.2Å; G28-G211 CarbonylContact O-C 3.38Å; G28-G211 WeakPolarHBondContact O-CA 3.32Å; G28-T215 VanDerWaalsContact C-CG2 3.48Å
29V96.1Very high94.7Very high8 Ų837.9 Ų37.95%0.04823%0.226CC..Hα-helixtrans-65.8-42.8175.5174.10000110.2C25 L31 F32 C33 F79 T215C25-V29 WeakPolarHBondContact O-CB 3.34Å; C25-V29 VanDerWaalsContact O-CG2 3.31Å; C25-V29 WeakPolarHBondContact O-CG2 3.35Å; C25-V29 PolarHBondContact O-N 3.38Å; V29-L31 VanDerWaalsContact C-N 3.35Å; V29-L31 PolarHBondContact O-N 3.07Å; V29-F32 PolarHBondContact O-N 3.21Å; V29-C33 WeakPolarHBondContact O-CB 2.99Å; V29-C33 PolarHBondContact O-N 3.36Å; V29-C33 PolarHBondContact O-SG 3.48Å; V29-F79 HydrophobicContact CB-CB 4.48Å; V29-F79 HydrophobicContact CG1-CB 4.15Å; V29-F79 HydrophobicContact CG2-CB 3.75Å; V29-F79 HydrophobicContact CG2-CD1 3.81Å; V29-F79 HydrophobicContact CG2-CD2 4.24Å; V29-F79 HydrophobicContact CG2-CE1 4.41Å; V29-F79 HydrophobicContact CG2-CG 3.68Å; V29-T215 HydrophobicContact CB-CG2 4.18Å; V29-T215 HydrophobicContact CG2-CG2 3.34Å
30A96Very high94.6Very high63 Ų6336.2 Ų36.252%0.52122%0.218SC..Hα-helixtrans-62.4-41.9178.300000111.8F26 S27 G34F26-A30 WeakPolarHBondContact O-CB 3.47Å; F26-A30 PolarHBondContact O-N 3.4Å; S27-A30 PolarHBondContact O-N 3.14Å; A30-G34 WeakPolarHBondContact O-CA 3.5Å; A30-G34 PolarHBondContact O-N 3.04Å
31L96.2Very high94.4Very high76 Ų7635.1 Ų35.140%0.39821%0.211SC..Hα-helixtrans-65.2-48.1175.1-70.5174.9000111.5S27 G28 V29 C35 V207S27-L31 WeakPolarHBondContact O-CB 3.37Å; S27-L31 VanDerWaalsContact O-CG 3.24Å; S27-L31 WeakPolarHBondContact O-CG 3.42Å; S27-L31 PolarHBondContact O-N 3.05Å; G28-L31 PolarHBondContact O-N 3.47Å; V29-L31 VanDerWaalsContact C-N 3.35Å; V29-L31 PolarHBondContact O-N 3.07Å; L31-C35 WeakPolarHBondContact O-CB 3.21Å; L31-C35 PolarHBondContact O-N 3.37Å; L31-C35 PolarHBondContact O-SG 3.03Å; L31-V207 HydrophobicContact CB-CG1 4.34Å; L31-V207 HydrophobicContact CD2-CG1 3.81Å; L31-V207 HydrophobicContact CG-CG1 4.44Å
32F96.1Very high94Very high28 Ų2835.3 Ų35.312%0.12321%0.213CC..Hα-helixtrans-60.5-49.3178.2178.2-102.1000111.9G28 V29 G36 W128 V131 A208 A212G28-F32 WeakPolarHBondContact O-CB 3.39Å; G28-F32 PolarHBondContact O-N 3.15Å; V29-F32 PolarHBondContact O-N 3.21Å; F32-G36 VanDerWaalsContact O-CA 3.25Å; F32-G36 WeakPolarHBondContact O-CA 3.44Å; F32-G36 PolarHBondContact O-N 2.89Å; F32-W128 AromaticContact CD1-CH2 3.89Å; F32-W128 HydrophobicContact CD1-CH2 3.89Å; F32-W128 AromaticContact CD1-CZ2 3.93Å; F32-W128 HydrophobicContact CD1-CZ2 3.93Å; F32-W128 HydrophobicContact CE1-CH2 4.06Å; F32-W128 HydrophobicContact CE1-CZ2 4.35Å; F32-W128 HydrophobicContact CG-CZ2 4.28Å; F32-V131 HydrophobicContact CE1-CG1 3.96Å; F32-V131 HydrophobicContact CE2-CG1 3.86Å; F32-V131 HydrophobicContact CZ-CG1 3.4Å; F32-A208 HydrophobicContact CD2-CB 4.38Å; F32-A208 WeakPolarHBondContact CD2-O 3.34Å; F32-A212 HydrophobicContact CD2-CB 3.73Å; F32-A212 HydrophobicContact CE2-CB 4.17Å; F32-A212 HydrophobicContact CG-CB 4.41Å
33C95.3Very high93.6Very high9 Ų936 Ų366%0.06122%0.218CC..Hα-helixtrans-71-47.6-176.7-65.60000112V29 H37 I72 A76V29-C33 WeakPolarHBondContact O-CB 2.99Å; V29-C33 PolarHBondContact O-N 3.36Å; V29-C33 PolarHBondContact O-SG 3.48Å; C33-H37 WeakPolarHBondContact O-CB 3.49Å; C33-H37 PolarHBondContact O-N 3.32Å; C33-I72 HydrophobicContact CB-CG2 3.46Å; C33-I72 VanDerWaalsContact CB-CG2 3.46Å; C33-I72 WeakPolarHBondContact O-CG2 3.3Å; C33-A76 HydrophobicContact CB-CB 4.37Å
34G94.6Very high93.1Very high38 Ų3832 Ų3239%0.39220%0.198SC..Hα-helixtrans-67.9-53.2-178.400000112.1A30 H37 V38A30-G34 WeakPolarHBondContact O-CA 3.5Å; A30-G34 PolarHBondContact O-N 3.04Å; G34-H37 PolarHBondContact O-N 2.93Å; G34-V38 PolarHBondContact O-N 3.18Å
35C94.9Very high92.6Very high24 Ų2432 Ų3216%0.16220%0.201CC..Hα-helixtrans-69.1-38.5179.7-58.90000111.4L31 V38 A39 L204 V207 A208L31-C35 WeakPolarHBondContact O-CB 3.21Å; L31-C35 PolarHBondContact O-N 3.37Å; L31-C35 PolarHBondContact O-SG 3.03Å; C35-V38 PolarHBondContact O-N 3.35Å; C35-A39 WeakPolarHBondContact O-CB 3.49Å; C35-A39 PolarHBondContact O-N 3.4Å; C35-L204 HydrophobicContact CB-CB 4.15Å; C35-L204 HydrophobicContact CB-CD2 4.38Å; C35-L204 HydrophobicContact CB-CG 4.21Å; C35-L204 WeakPolarHBondContact CB-O 3.43Å; C35-V207 HydrophobicContact CB-CB 4.47Å; C35-V207 HydrophobicContact CB-CG1 4.41Å; C35-V207 VanDerWaalsContact SG-CG1 3.54Å; C35-A208 HydrophobicContact CB-CB 4.07Å
36G93.2Very high92Very high8 Ų832.6 Ų32.68%0.08220%0.203CC..Hα-helixtrans-61.4-43.9176.100000112.6F32 V38 A39 L40F32-G36 VanDerWaalsContact O-CA 3.25Å; F32-G36 WeakPolarHBondContact O-CA 3.44Å; F32-G36 PolarHBondContact O-N 2.89Å; G36-V38 PolarHBondContact O-N 3.05Å; G36-A39 PolarHBondContact O-N 3.36Å; G36-L40 VanDerWaalsContact O-CB 3.31Å; G36-L40 WeakPolarHBondContact O-CB 3.35Å; G36-L40 WeakPolarHBondContact O-CD1 3.24Å; G36-L40 VanDerWaalsContact O-CG 3.25Å; G36-L40 WeakPolarHBondContact O-CG 3.43Å; G36-L40 PolarHBondContact O-N 2.93Å
37H93.3Very high91.2Very high43 Ų4330.2 Ų30.220%0.19919%0.193CC..Hα-helixtrans-59.6-49.6177.9177.1-79.4000112C33 G34 L40 T41 Y73C33-H37 WeakPolarHBondContact O-CB 3.49Å; C33-H37 PolarHBondContact O-N 3.32Å; G34-H37 PolarHBondContact O-N 2.93Å; H37-L40 PolarHBondContact O-N 3.39Å; H37-T41 PolarHBondContact O-N 3.46Å; H37-T41 VanDerWaalsContact O-N 3.12Å; H37-T41 PolarHBondContact O-OG1 3.41Å; H37-Y73 AromaticContact CD2-CZ 3.71Å; H37-Y73 PolarHBondContact CD2-OH 3.44Å; H37-Y73 VanDerWaalsContact CD2-OH 3.3Å; H37-Y73 AromaticContact NE2-CZ 3.73Å; H37-Y73 PolarHBondContact NE2-OH 2.88Å
38V92.9Very high90.4Very high74 Ų7432.7 Ų32.745%0.44820%0.2SC..Hα-helixtrans-69.5-38.4-178.7178.80000111.1G34 C35 G36 L40 T41 G42 L204G34-V38 PolarHBondContact O-N 3.18Å; C35-V38 PolarHBondContact O-N 3.35Å; G36-V38 PolarHBondContact O-N 3.05Å; V38-L40 PolarHBondContact O-N 3.49Å; V38-T41 PolarHBondContact O-N 3.28Å; V38-G42 PolarHBondContact O-N 2.69Å; V38-L204 HydrophobicContact CB-CD2 3.46Å; V38-L204 VanDerWaalsContact CB-CD2 3.46Å; V38-L204 HydrophobicContact CG1-CD2 3.48Å; V38-L204 VanDerWaalsContact CG1-CD2 3.48Å; V38-L204 HydrophobicContact CG2-CD2 4.5Å
39A91.9Very high89.5Confident0 Ų037.4 Ų37.40%023%0.228CC..Hα-helixtrans-63.9-39.717600000112.6C35 G36 G42 T43 L204 Y205C35-A39 WeakPolarHBondContact O-CB 3.49Å; C35-A39 PolarHBondContact O-N 3.4Å; G36-A39 PolarHBondContact O-N 3.36Å; A39-G42 PolarHBondContact O-N 2.86Å; A39-T43 PolarHBondContact O-N 3.43Å; A39-T43 PolarHBondContact O-OG1 3.4Å; A39-L204 HydrophobicContact CB-CB 3.89Å; A39-Y205 HydrophobicContact CB-CD1 3.99Å; A39-Y205 HydrophobicContact CB-CD2 3.88Å; A39-Y205 HydrophobicContact CB-CE1 3.84Å; A39-Y205 HydrophobicContact CB-CE2 3.72Å; A39-Y205 HydrophobicContact CB-CG 4Å; A39-Y205 PolarHBondContact O-OH 3.09Å
40L88.9Confident88.5Confident28 Ų2839.6 Ų39.615%0.14724%0.237CC..Hα-helixtrans-62.4-46.5174.4-80.1165.5000111.1G36 H37 V38 G42 T43 V44 I65 M68 Q69 I72G36-L40 VanDerWaalsContact O-CB 3.31Å; G36-L40 WeakPolarHBondContact O-CB 3.35Å; G36-L40 WeakPolarHBondContact O-CD1 3.24Å; G36-L40 VanDerWaalsContact O-CG 3.25Å; G36-L40 WeakPolarHBondContact O-CG 3.43Å; G36-L40 PolarHBondContact O-N 2.93Å; H37-L40 PolarHBondContact O-N 3.39Å; V38-L40 PolarHBondContact O-N 3.49Å; L40-G42 VanDerWaalsContact C-N 3.35Å; L40-G42 PolarHBondContact O-N 3.42Å; L40-T43 WeakPolarHBondContact O-CB 3.29Å; L40-T43 PolarHBondContact O-N 2.88Å; L40-T43 VanDerWaalsContact O-N 3.13Å; L40-V44 PolarHBondContact O-N 3.18Å; L40-V44 VanDerWaalsContact O-N 3.16Å; L40-I65 HydrophobicContact CB-CG2 3.97Å; L40-I65 HydrophobicContact CD2-CG1 4.33Å; L40-I65 HydrophobicContact CD2-CG2 4.14Å; L40-M68 HydrophobicContact CD1-CB 4.06Å; L40-Q69 HydrophobicContact CD1-CG 4.39Å; L40-I72 HydrophobicContact CD1-CD1 3.69Å
41T89Confident87.3Confident59 Ų5936.8 Ų36.836%0.36221%0.213SC..Hα-helixtrans-59.2-45.5174.6-56.20000111.6H37 V38 T43 V44 T45 Q69H37-T41 PolarHBondContact O-N 3.46Å; H37-T41 VanDerWaalsContact O-N 3.12Å; H37-T41 PolarHBondContact O-OG1 3.41Å; V38-T41 PolarHBondContact O-N 3.28Å; T41-T43 PolarHBondContact O-N 3Å; T41-V44 PolarHBondContact O-N 2.97Å; T41-T45 PolarHBondContact O-N 3.47Å; T41-T45 VanDerWaalsContact O-N 3.16Å; T41-Q69 PolarHBondContact OG1-NE2 2.96Å
42G86.3Confident85.9Confident4 Ų433.4 Ų33.44%0.04120%0.196CC..Hα-helixtrans-63.1-30.6176.400000113.2V38 A39 L40 T45 I46V38-G42 PolarHBondContact O-N 2.69Å; A39-G42 PolarHBondContact O-N 2.86Å; L40-G42 VanDerWaalsContact C-N 3.35Å; L40-G42 PolarHBondContact O-N 3.42Å; G42-T45 WeakPolarHBondContact CA-OG1 3.46Å; G42-T45 PolarHBondContact O-N 3.39Å; G42-T45 PolarHBondContact O-OG1 2.86Å; G42-I46 WeakPolarHBondContact O-CD1 3.32Å; G42-I46 WeakPolarHBondContact O-CG1 3.48Å; G42-I46 PolarHBondContact O-N 3.15Å; G42-I46 VanDerWaalsContact O-N 3.09Å
43T85.1Confident84.2Confident24 Ų2438.3 Ų38.315%0.14723%0.229CC..Hα-helixtrans-68.2-40.6175.9-53.10000111.1A39 L40 T41 L47 F142 Y205A39-T43 PolarHBondContact O-N 3.43Å; A39-T43 PolarHBondContact O-OG1 3.4Å; L40-T43 WeakPolarHBondContact O-CB 3.29Å; L40-T43 PolarHBondContact O-N 2.88Å; L40-T43 VanDerWaalsContact O-N 3.13Å; T41-T43 PolarHBondContact O-N 3Å; T43-L47 WeakPolarHBondContact O-CB 3.38Å; T43-L47 PolarHBondContact O-N 3.12Å; T43-F142 HydrophobicContact CG2-CZ 4.42Å; T43-Y205 WeakPolarHBondContact OG1-CE2 3.43Å; T43-Y205 PolarHBondContact OG1-OH 2.89Å
44V84.3Confident82.7Confident22 Ų2240.9 Ų40.913%0.13324%0.244CC..Hα-helixtrans-61.7-47.9175.3177.30000110.8L40 T41 I46 L47 E48 I65L40-V44 PolarHBondContact O-N 3.18Å; L40-V44 VanDerWaalsContact O-N 3.16Å; T41-V44 PolarHBondContact O-N 2.97Å; V44-I46 VanDerWaalsContact C-N 3.34Å; V44-I46 PolarHBondContact O-N 2.92Å; V44-L47 PolarHBondContact O-N 3.38Å; V44-L47 VanDerWaalsContact O-N 3.13Å; V44-E48 HydrophobicContact CG1-CG 4.2Å; V44-E48 WeakPolarHBondContact O-CG 3.22Å; V44-E48 PolarHBondContact O-N 3.05Å; V44-I65 HydrophobicContact CG2-CB 4.21Å; V44-I65 HydrophobicContact CG2-CD1 3.47Å; V44-I65 VanDerWaalsContact CG2-CD1 3.47Å; V44-I65 HydrophobicContact CG2-CG1 4.42Å; V44-I65 HydrophobicContact CG2-CG2 3.75Å
45T84.7Confident81Confident53 Ų5349.9 Ų49.933%0.32527%0.266SS..Hα-helixtrans-62.8-41-17857.80000111.9T41 G42 L47 T49T41-T45 PolarHBondContact O-N 3.47Å; T41-T45 VanDerWaalsContact O-N 3.16Å; G42-T45 WeakPolarHBondContact CA-OG1 3.46Å; G42-T45 PolarHBondContact O-N 3.39Å; G42-T45 PolarHBondContact O-OG1 2.86Å; T45-L47 VanDerWaalsContact C-N 3.33Å; T45-L47 PolarHBondContact O-N 3.47Å; T45-T49 VanDerWaalsContact O-CB 3.25Å; T45-T49 WeakPolarHBondContact O-CB 3.45Å; T45-T49 PolarHBondContact O-N 3.21Å; T45-T49 PolarHBondContact O-OG1 2.71Å
46I83.8Confident79.3Confident13 Ų1354.1 Ų54.17%0.06729%0.291CS..Hα-helixtrans-63-42.3175-67.5165.9000110.7G42 V44 T49 F50 F51 F142 E197 F198G42-I46 WeakPolarHBondContact O-CD1 3.32Å; G42-I46 WeakPolarHBondContact O-CG1 3.48Å; G42-I46 PolarHBondContact O-N 3.15Å; G42-I46 VanDerWaalsContact O-N 3.09Å; V44-I46 VanDerWaalsContact C-N 3.34Å; V44-I46 PolarHBondContact O-N 2.92Å; I46-T49 PolarHBondContact O-N 3.35Å; I46-F50 HydrophobicContact CG2-CD2 4.08Å; I46-F50 WeakPolarHBondContact O-CB 3.32Å; I46-F50 WeakPolarHBondContact O-CD2 3.46Å; I46-F50 PolarHBondContact O-N 3.42Å; I46-F51 HydrophobicContact CG2-CD2 4.48Å; I46-F51 HydrophobicContact CG2-CE2 4.31Å; I46-F142 HydrophobicContact CD1-CE1 4.24Å; I46-E197 HydrophobicContact CG1-CB 4.45Å; I46-F198 HydrophobicContact CD1-CB 4.04Å; I46-F198 HydrophobicContact CD1-CD2 4.28Å
47L79.8Confident77.6Confident11 Ų1155.3 Ų55.36%0.05830%0.296CS..Iπ-helixtrans-67.1-46.1-177.1-151.171000112.4T43 V44 T45 T49 F51 S52 H58 L61 I174 I175T43-L47 WeakPolarHBondContact O-CB 3.38Å; T43-L47 PolarHBondContact O-N 3.12Å; V44-L47 PolarHBondContact O-N 3.38Å; V44-L47 VanDerWaalsContact O-N 3.13Å; T45-L47 VanDerWaalsContact C-N 3.33Å; T45-L47 PolarHBondContact O-N 3.47Å; L47-T49 VanDerWaalsContact C-N 3.29Å; L47-T49 PolarHBondContact O-N 3.13Å; L47-F51 HydrophobicContact CD1-CB 3.96Å; L47-F51 HydrophobicContact CD1-CD2 4.32Å; L47-F51 HydrophobicContact CD1-CG 4.35Å; L47-F51 HydrophobicContact CG-CB 4.42Å; L47-F51 PolarHBondContact O-N 3.45Å; L47-S52 PolarHBondContact O-N 3.35Å; L47-H58 WeakPolarHBondContact CD2-CE1 3.4Å; L47-H58 WeakPolarHBondContact CD2-ND1 3.48Å; L47-L61 HydrophobicContact CD2-CD2 3.1Å; L47-I174 HydrophobicContact CD1-CG2 4.43Å; L47-I174 HydrophobicContact CD2-CG2 4.27Å; L47-I175 HydrophobicContact CD1-CD1 3.73Å; L47-I175 HydrophobicContact CD1-CG1 4.22Å; L47-I175 HydrophobicContact CD2-CD1 4.49Å; L47-I175 HydrophobicContact CD2-CG1 4.37Å; L47-I175 HydrophobicContact CG-CD1 4.16Å
48E78.8Confident76.1Confident102 Ų10253.6 Ų53.648%0.47729%0.288SS..Iπ-helixtrans-65-33.8177.1-70.3-175.6157.900112.1V44 S52V44-E48 HydrophobicContact CG1-CG 4.2Å; V44-E48 WeakPolarHBondContact O-CG 3.22Å; V44-E48 PolarHBondContact O-N 3.05Å; E48-S52 VanDerWaalsContact O-O 3.08Å
49T78.8Confident74.9Confident98 Ų9852.4 Ų52.460%0.60129%0.286SS*.Iπ-helixtrans-82-39.1-176.3-53.60000112.3T45 I46 L47T45-T49 VanDerWaalsContact O-CB 3.25Å; T45-T49 WeakPolarHBondContact O-CB 3.45Å; T45-T49 PolarHBondContact O-N 3.21Å; T45-T49 PolarHBondContact O-OG1 2.71Å; I46-T49 PolarHBondContact O-N 3.35Å; L47-T49 VanDerWaalsContact C-N 3.29Å; L47-T49 PolarHBondContact O-N 3.13Å
50F75Confident73.8Confident54 Ų5459.6 Ų59.624%0.23732%0.321CS..Iπ-helixtrans-116.8-27.3-166.3-62.1-74.5000115.2I46 V192I46-F50 HydrophobicContact CG2-CD2 4.08Å; I46-F50 WeakPolarHBondContact O-CB 3.32Å; I46-F50 WeakPolarHBondContact O-CD2 3.46Å; I46-F50 PolarHBondContact O-N 3.42Å; F50-V192 HydrophobicContact CB-CG2 3.69Å; F50-V192 HydrophobicContact CD1-CG2 3.57Å; F50-V192 HydrophobicContact CD2-CG2 3.81Å; F50-V192 HydrophobicContact CE1-CG2 4.1Å; F50-V192 HydrophobicContact CE2-CG2 4.31Å; F50-V192 HydrophobicContact CG-CG2 3.41Å; F50-V192 VanDerWaalsContact CG-CG2 3.41Å; F50-V192 HydrophobicContact CZ-CG2 4.44Å
51F71.4Confident72.9Confident4 Ų459.8 Ų59.82%0.01832%0.322CS..Iπ-helixtrans-113.7-21.3-170.2-71.4-82.6000113.9I46 L47 V169 I175 P181 G182 A184 V192I46-F51 HydrophobicContact CG2-CD2 4.48Å; I46-F51 HydrophobicContact CG2-CE2 4.31Å; L47-F51 HydrophobicContact CD1-CB 3.96Å; L47-F51 HydrophobicContact CD1-CD2 4.32Å; L47-F51 HydrophobicContact CD1-CG 4.35Å; L47-F51 HydrophobicContact CG-CB 4.42Å; L47-F51 PolarHBondContact O-N 3.45Å; F51-V169 HydrophobicContact CB-CG2 4.3Å; F51-V169 HydrophobicContact CD1-CB 4.41Å; F51-V169 HydrophobicContact CD1-CG1 4.07Å; F51-V169 HydrophobicContact CD1-CG2 3.41Å; F51-V169 VanDerWaalsContact CD1-CG2 3.41Å; F51-V169 HydrophobicContact CE1-CB 4.46Å; F51-V169 HydrophobicContact CE1-CG1 3.73Å; F51-V169 HydrophobicContact CE1-CG2 3.87Å; F51-V169 HydrophobicContact CE2-CG1 4.45Å; F51-V169 HydrophobicContact CG-CG2 3.96Å; F51-V169 HydrophobicContact CZ-CG1 3.95Å; F51-I175 HydrophobicContact CB-CD1 4.02Å; F51-P181 WeakPolarHBondContact O-CD 3.37Å; F51-G182 PolarHBondContact O-N 3.45Å; F51-A184 HydrophobicContact CD1-CB 4.24Å; F51-A184 HydrophobicContact CE1-CB 3.39Å; F51-A184 HydrophobicContact CZ-CB 3.55Å; F51-V192 HydrophobicContact CE2-CG2 4.48Å
52S65.6Low72.3Confident6 Ų659.1 Ų59.14%0.04232%0.318CS..BIsolated β-bridgetrans-155.9121.2174.3-175.70000115.2L47 E48 V54 H58L47-S52 PolarHBondContact O-N 3.35Å; E48-S52 VanDerWaalsContact O-O 3.08Å; S52-V54 PolarHBondContact OG-N 2.88Å; S52-V54 PolarHBondContact OG-O 3.46Å; S52-H58 WeakPolarHBondContact CB-CD2 3.39Å; S52-H58 WeakPolarHBondContact CB-NE2 3.35Å; S52-H58 PolarHBondContact OG-CD2 2.94Å; S52-H58 PolarHBondContact OG-NE2 2.99Å
53T61.4Low71.9Confident131 Ų13163.6 Ų63.680%0.80434%0.341SS*.  trans-88.5-10.6176.1-21.80000111.9
54V63.1Low71.7Confident62 Ų6266.7 Ų66.738%0.37636%0.356SS..  trans-104119-174.8-171.30000110.5S52 T56 D57S52-V54 PolarHBondContact OG-N 2.88Å; S52-V54 PolarHBondContact OG-O 3.46Å; V54-T56 VanDerWaalsContact C-N 3.28Å; V54-T56 VanDerWaalsContact CG1-OG1 3.28Å; V54-T56 WeakPolarHBondContact CG1-OG1 3.22Å; V54-T56 PolarHBondContact O-N 3.41Å; V54-D57 PolarHBondContact O-N 3.39Å
55R59.2Low71.7Confident227 Ų22766.3 Ų66.386%0.85735%0.353SS*.G310 helixtrans-60.2-30.4-178.1-92.5-165.5-179.4154.60.8114.5D57 H58 A59R55-D57 VanDerWaalsContact C-N 3.29Å; R55-D57 PolarHBondContact O-N 3.15Å; R55-H58 PolarHBondContact O-N 2.9Å; R55-A59 PolarHBondContact O-N 3.49Å
56T59.3Low71.7Confident113 Ų11368 Ų6869%0.69336%0.357SS*.G310 helixtrans-68.9-26.7-175.951.50000113.2V54 H58V54-T56 VanDerWaalsContact C-N 3.28Å; V54-T56 VanDerWaalsContact CG1-OG1 3.28Å; V54-T56 WeakPolarHBondContact CG1-OG1 3.22Å; V54-T56 PolarHBondContact O-N 3.41Å; T56-H58 VanDerWaalsContact C-N 3.33Å
57D57.9Low71.9Confident33 Ų3372.3 Ų72.318%0.17638%0.379CS..G310 helixtrans-82.8-12.6-177.8-64.6-25.8000112.9V54 R55 P176 A179V54-D57 PolarHBondContact O-N 3.39Å; R55-D57 VanDerWaalsContact C-N 3.29Å; R55-D57 PolarHBondContact O-N 3.15Å; D57-P176 HydrophobicContact CB-CG 4.47Å; D57-A179 HydrophobicContact CB-CB 4.05Å
58H61.4Low72.2Confident8 Ų876.2 Ų76.24%0.03740%0.399CS..THydrogen-bonded Turntrans-117.2-11.4-174.1-71.8-86000114.2L47 S52 R55 T56 M60 L61 T62L47-H58 WeakPolarHBondContact CD2-CE1 3.4Å; L47-H58 WeakPolarHBondContact CD2-ND1 3.48Å; S52-H58 WeakPolarHBondContact CB-CD2 3.39Å; S52-H58 WeakPolarHBondContact CB-NE2 3.35Å; S52-H58 PolarHBondContact OG-CD2 2.94Å; S52-H58 PolarHBondContact OG-NE2 2.99Å; R55-H58 PolarHBondContact O-N 2.9Å; T56-H58 VanDerWaalsContact C-N 3.33Å; H58-M60 VanDerWaalsContact C-N 3.32Å; H58-M60 PolarHBondContact O-N 3.36Å; H58-L61 PolarHBondContact O-N 3.38Å; H58-T62 PolarHBondContact O-N 3.28Å; H58-T62 PolarHBondContact O-OG1 3.37Å
59A66.9Low72.7Confident49 Ų4972.9 Ų72.941%0.40538%0.383SS..Hα-helixtrans-52.8-48-177.500000112.6R55 L61 T62 D63R55-A59 PolarHBondContact O-N 3.49Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 2.96Å; A59-T62 PolarHBondContact O-N 3.23Å; A59-D63 WeakPolarHBondContact O-CB 3.14Å; A59-D63 VanDerWaalsContact O-CG 3.3Å; A59-D63 PolarHBondContact O-N 2.97Å
60M68.5Low73.2Confident151 Ų15175.4 Ų75.474%0.74438%0.383SS*.Hα-helixtrans-63.9-34.7178.6-67.5-69.6174.300112.8H58 I64H58-M60 VanDerWaalsContact C-N 3.32Å; H58-M60 PolarHBondContact O-N 3.36Å; M60-I64 WeakPolarHBondContact O-CD1 3.38Å; M60-I64 WeakPolarHBondContact O-CG1 3.49Å; M60-I64 PolarHBondContact O-N 3.16Å; M60-I64 VanDerWaalsContact O-N 3.11Å
61L71.9Confident74Confident31 Ų3176.1 Ų76.116%0.16239%0.391CS..Hα-helixtrans-78-41.3-178.9-17473.7000111.5L47 H58 A59 D63 I64 I65 I174L47-L61 HydrophobicContact CD2-CD2 3.1Å; H58-L61 PolarHBondContact O-N 3.38Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 2.96Å; L61-D63 VanDerWaalsContact C-N 3.28Å; L61-D63 PolarHBondContact O-N 3.49Å; L61-I64 PolarHBondContact O-N 3Å; L61-I65 HydrophobicContact CD2-CD1 4.43Å; L61-I65 HydrophobicContact CG-CD1 4.03Å; L61-I65 WeakPolarHBondContact O-CG1 3.4Å; L61-I65 PolarHBondContact O-N 2.95Å; L61-I174 HydrophobicContact CD1-CG2 4.21Å; L61-I174 HydrophobicContact CD2-CG2 3.53Å; L61-I174 WeakPolarHBondContact CD2-O 3.41Å
62T74.9Confident75Confident45 Ų4576.5 Ų76.528%0.27639%0.394SS..Hα-helixtrans-60.8-40.4173.9-56.80000110.7H58 A59 I65 Q66H58-T62 PolarHBondContact O-N 3.28Å; H58-T62 PolarHBondContact O-OG1 3.37Å; A59-T62 PolarHBondContact O-N 3.23Å; T62-I65 PolarHBondContact O-N 2.72Å; T62-Q66 WeakPolarHBondContact O-CB 3.34Å; T62-Q66 PolarHBondContact O-N 2.87Å
63D79.3Confident76.2Confident98 Ų9882.5 Ų82.552%0.52442%0.416SS..Hα-helixtrans-62.8-43.3173.8-75.3-20.6000112.1A59 L61 Q66 L67A59-D63 WeakPolarHBondContact O-CB 3.14Å; A59-D63 VanDerWaalsContact O-CG 3.3Å; A59-D63 PolarHBondContact O-N 2.97Å; L61-D63 VanDerWaalsContact C-N 3.28Å; L61-D63 PolarHBondContact O-N 3.49Å; D63-Q66 PolarHBondContact O-N 2.67Å; D63-L67 WeakPolarHBondContact O-CB 3.35Å; D63-L67 PolarHBondContact O-N 2.86Å
64I81.1Confident77.7Confident89 Ų8978.1 Ų78.146%0.45640%0.397SS..Hα-helixtrans-62.5-43.8175.6-70.9163.5000110.9M60 L61 L67 M68M60-I64 WeakPolarHBondContact O-CD1 3.38Å; M60-I64 WeakPolarHBondContact O-CG1 3.49Å; M60-I64 PolarHBondContact O-N 3.16Å; M60-I64 VanDerWaalsContact O-N 3.11Å; L61-I64 PolarHBondContact O-N 3Å; I64-L67 WeakPolarHBondContact O-CB 3.44Å; I64-L67 PolarHBondContact O-N 2.86Å; I64-M68 HydrophobicContact CG2-CE 4.39Å; I64-M68 VanDerWaalsContact O-CG 3.31Å; I64-M68 WeakPolarHBondContact O-CG 3.48Å; I64-M68 PolarHBondContact O-N 2.89Å
65I83.6Confident79Confident15 Ų1577 Ų778%0.07739%0.388CS..Hα-helixtrans-65.4-42-179.9-71.1169.2000110.7L40 V44 L61 T62 L67 M68 Q69L40-I65 HydrophobicContact CB-CG2 3.97Å; L40-I65 HydrophobicContact CD2-CG1 4.33Å; L40-I65 HydrophobicContact CD2-CG2 4.14Å; V44-I65 HydrophobicContact CG2-CB 4.21Å; V44-I65 HydrophobicContact CG2-CD1 3.47Å; V44-I65 VanDerWaalsContact CG2-CD1 3.47Å; V44-I65 HydrophobicContact CG2-CG1 4.42Å; V44-I65 HydrophobicContact CG2-CG2 3.75Å; L61-I65 HydrophobicContact CD2-CD1 4.43Å; L61-I65 HydrophobicContact CG-CD1 4.03Å; L61-I65 WeakPolarHBondContact O-CG1 3.4Å; L61-I65 PolarHBondContact O-N 2.95Å; T62-I65 PolarHBondContact O-N 2.72Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 3.35Å; I65-M68 WeakPolarHBondContact O-CB 3.26Å; I65-M68 PolarHBondContact O-N 2.67Å; I65-M68 VanDerWaalsContact O-N 3.16Å; I65-Q69 WeakPolarHBondContact O-CG 3.29Å; I65-Q69 PolarHBondContact O-N 3.05Å
66Q84.3Confident80.7Confident89 Ų8967.9 Ų67.942%0.41636%0.362SS..Hα-helixtrans-64-39.4175.9-169.7174.9-2000111.4T62 D63 M68 Q69 Y70T62-Q66 WeakPolarHBondContact O-CB 3.34Å; T62-Q66 PolarHBondContact O-N 2.87Å; D63-Q66 PolarHBondContact O-N 2.67Å; Q66-M68 VanDerWaalsContact C-N 3.34Å; Q66-M68 PolarHBondContact O-N 2.95Å; Q66-Q69 PolarHBondContact O-N 3.46Å; Q66-Y70 HydrophobicContact CG-CD2 4.21Å; Q66-Y70 HydrophobicContact CG-CE2 3.84Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.28Å; Q66-Y70 PolarHBondContact O-N 3.44Å
67L87.6Confident82.3Confident102 Ų10265.8 Ų65.853%0.53435%0.352SS..Hα-helixtrans-59.3-44.3171.7-179.866.5000111.5D63 I64 I65 Q69 Y70 V71D63-L67 WeakPolarHBondContact O-CB 3.35Å; D63-L67 PolarHBondContact O-N 2.86Å; I64-L67 WeakPolarHBondContact O-CB 3.44Å; I64-L67 PolarHBondContact O-N 2.86Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 3.35Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.3Å; L67-Y70 PolarHBondContact O-N 3.38Å; L67-V71 WeakPolarHBondContact O-CG2 3.18Å; L67-V71 PolarHBondContact O-N 2.91Å
68M86.9Confident84Confident93 Ų9369.3 Ų69.346%0.45837%0.366SS..Hα-helixtrans-62.2-38.6177-67.2-63.4162.500112L40 I64 I65 Q66 V71 I72L40-M68 HydrophobicContact CD1-CB 4.06Å; I64-M68 HydrophobicContact CG2-CE 4.39Å; I64-M68 VanDerWaalsContact O-CG 3.31Å; I64-M68 WeakPolarHBondContact O-CG 3.48Å; I64-M68 PolarHBondContact O-N 2.89Å; I65-M68 WeakPolarHBondContact O-CB 3.26Å; I65-M68 PolarHBondContact O-N 2.67Å; I65-M68 VanDerWaalsContact O-N 3.16Å; Q66-M68 VanDerWaalsContact C-N 3.34Å; Q66-M68 PolarHBondContact O-N 2.95Å; M68-V71 PolarHBondContact O-N 3.3Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 3.2Å
69Q88.3Confident85.6Confident33 Ų3369.1 Ų69.115%0.15437%0.365CS..Hα-helixtrans-63.4-41.7174.6-71.3176.7-27.700112.5L40 T41 I65 Q66 L67 V71 I72 Y73L40-Q69 HydrophobicContact CD1-CG 4.39Å; T41-Q69 PolarHBondContact OG1-NE2 2.96Å; I65-Q69 WeakPolarHBondContact O-CG 3.29Å; I65-Q69 PolarHBondContact O-N 3.05Å; Q66-Q69 PolarHBondContact O-N 3.46Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.3Å; Q69-V71 VanDerWaalsContact C-N 3.34Å; Q69-V71 PolarHBondContact O-N 3.49Å; Q69-I72 WeakPolarHBondContact O-CB 3.31Å; Q69-I72 PolarHBondContact O-N 3.46Å; Q69-Y73 VanDerWaalsContact O-CD2 3.28Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.16Å; Q69-Y73 PolarHBondContact O-N 3.3Å
70Y89.8Confident86.8Confident150 Ų15072 Ų7259%0.58837%0.368SS*.Hα-helixtrans-62.5-41.5173.8-79.9-65.4000112.5Q66 L67 I72 Y73 G74Q66-Y70 HydrophobicContact CG-CD2 4.21Å; Q66-Y70 HydrophobicContact CG-CE2 3.84Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.28Å; Q66-Y70 PolarHBondContact O-N 3.44Å; L67-Y70 PolarHBondContact O-N 3.38Å; Y70-I72 VanDerWaalsContact C-N 3.31Å; Y70-I72 PolarHBondContact O-N 3.07Å; Y70-Y73 PolarHBondContact O-N 3.35Å; Y70-G74 PolarHBondContact O-N 2.86Å
71V91.8Very high88Confident69 Ų6970 Ų7042%0.41836%0.36SS..Hα-helixtrans-61.4-41176.2170.30000110.8L67 M68 Q69 Y73 G74 I75L67-V71 WeakPolarHBondContact O-CG2 3.18Å; L67-V71 PolarHBondContact O-N 2.91Å; M68-V71 PolarHBondContact O-N 3.3Å; Q69-V71 VanDerWaalsContact C-N 3.34Å; Q69-V71 PolarHBondContact O-N 3.49Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 2.9Å; V71-G74 PolarHBondContact O-N 2.85Å; V71-I75 HydrophobicContact CG1-CD1 3.54Å; V71-I75 HydrophobicContact CG1-CG1 4.13Å; V71-I75 WeakPolarHBondContact O-CB 3.47Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.43Å; V71-I75 PolarHBondContact O-N 2.9Å
72I92.2Very high89Confident13 Ų1369.5 Ų69.57%0.06736%0.356CS..Hα-helixtrans-57.2-43.8176.6-75.2167.8000111.9C33 L40 M68 Q69 Y70 I75 A76C33-I72 HydrophobicContact CB-CG2 3.46Å; C33-I72 VanDerWaalsContact CB-CG2 3.46Å; C33-I72 WeakPolarHBondContact O-CG2 3.3Å; L40-I72 HydrophobicContact CD1-CD1 3.69Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 3.2Å; Q69-I72 WeakPolarHBondContact O-CB 3.31Å; Q69-I72 PolarHBondContact O-N 3.46Å; Y70-I72 VanDerWaalsContact C-N 3.31Å; Y70-I72 PolarHBondContact O-N 3.07Å; I72-I75 PolarHBondContact O-N 3.17Å; I72-A76 WeakPolarHBondContact O-CB 3.2Å; I72-A76 PolarHBondContact O-N 3.09Å
73Y90.4Very high89.8Confident131 Ų13167.4 Ų67.451%0.51434%0.344SS..Hα-helixtrans-65.9-39.4177.3-60.2-46.6000112.8H37 Q69 Y70 V71 S77H37-Y73 AromaticContact CD2-CZ 3.71Å; H37-Y73 PolarHBondContact CD2-OH 3.44Å; H37-Y73 VanDerWaalsContact CD2-OH 3.3Å; H37-Y73 AromaticContact NE2-CZ 3.73Å; H37-Y73 PolarHBondContact NE2-OH 2.88Å; Q69-Y73 VanDerWaalsContact O-CD2 3.28Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.16Å; Q69-Y73 PolarHBondContact O-N 3.3Å; Y70-Y73 PolarHBondContact O-N 3.35Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 2.9Å; Y73-S77 PolarHBondContact O-N 3.29Å; Y73-S77 PolarHBondContact O-OG 3.12Å
74G92.7Very high90.4Very high39 Ų3966.5 Ų66.540%0.40234%0.338SS..Hα-helixtrans-63.2-43.7174.900000112.2Y70 V71 S77 F78Y70-G74 PolarHBondContact O-N 2.86Å; V71-G74 PolarHBondContact O-N 2.85Å; G74-S77 PolarHBondContact O-OG 3.2Å; G74-F78 WeakPolarHBondContact O-CB 3.46Å; G74-F78 PolarHBondContact O-N 3.47Å
75I92.3Very high90.9Very high38 Ų3866.1 Ų66.120%0.19534%0.336CS..Hα-helixtrans-63.5-46178-70.9171.3000111.1V71 I72 S77 F78 F79 W128V71-I75 HydrophobicContact CG1-CD1 3.54Å; V71-I75 HydrophobicContact CG1-CG1 4.13Å; V71-I75 WeakPolarHBondContact O-CB 3.47Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.43Å; V71-I75 PolarHBondContact O-N 2.9Å; I72-I75 PolarHBondContact O-N 3.17Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-S77 PolarHBondContact O-N 3.01Å; I75-F78 PolarHBondContact O-N 3.21Å; I75-F79 HydrophobicContact CG2-CD2 3.7Å; I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.2Å; I75-F79 PolarHBondContact O-N 3.44Å; I75-W128 HydrophobicContact CD1-CZ3 4.35Å; I75-W128 HydrophobicContact CG2-CH2 3.54Å; I75-W128 HydrophobicContact CG2-CZ3 3.63Å
76A93.1Very high91.2Very high36 Ų3665.5 Ų65.530%0.29833%0.333SS..Hα-helixtrans-57.7-46.1-178.900000112.1C33 I72 F80C33-A76 HydrophobicContact CB-CB 4.37Å; I72-A76 WeakPolarHBondContact O-CB 3.2Å; I72-A76 PolarHBondContact O-N 3.09Å; A76-F80 WeakPolarHBondContact O-CB 3.49Å; A76-F80 PolarHBondContact O-N 3.12Å; A76-F80 VanDerWaalsContact O-N 3.14Å
77S93.8Very high91.5Very high70 Ų7063.2 Ų63.249%0.4932%0.323SS..Hα-helixtrans-68.6-41.9178.557.40000112.8Y73 G74 I75 F80 L81Y73-S77 PolarHBondContact O-N 3.29Å; Y73-S77 PolarHBondContact O-OG 3.12Å; G74-S77 PolarHBondContact O-OG 3.2Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-S77 PolarHBondContact O-N 3.01Å; S77-F80 PolarHBondContact O-N 3.37Å; S77-L81 PolarHBondContact O-N 3.18Å; S77-L81 VanDerWaalsContact O-N 3.16Å
78F94.2Very high91.5Very high106 Ų10660 Ų6047%0.46531%0.312SS..Hα-helixtrans-59.8-50.3176.9173.8-98.9000112.1G74 I75 F80 L81 Y82 L124G74-F78 WeakPolarHBondContact O-CB 3.46Å; G74-F78 PolarHBondContact O-N 3.47Å; I75-F78 PolarHBondContact O-N 3.21Å; F78-F80 VanDerWaalsContact C-N 3.33Å; F78-F80 PolarHBondContact O-N 3.16Å; F78-L81 PolarHBondContact O-N 3.25Å; F78-Y82 HydrophobicContact CZ-CG 4.49Å; F78-Y82 VanDerWaalsContact O-CB 3.22Å; F78-Y82 WeakPolarHBondContact O-CB 3.35Å; F78-Y82 PolarHBondContact O-N 3.31Å; F78-L124 HydrophobicContact CE1-CD1 3.99Å; F78-L124 HydrophobicContact CE1-CD2 4.04Å
79F93.4Very high91.3Very high5 Ų556.2 Ų56.22%0.02229%0.293CS..Hα-helixtrans-67.9-32.2-179-91.3-89.5000113.1V29 I75 G83 L124 W128 L219V29-F79 HydrophobicContact CB-CB 4.48Å; V29-F79 HydrophobicContact CG1-CB 4.15Å; V29-F79 HydrophobicContact CG2-CB 3.75Å; V29-F79 HydrophobicContact CG2-CD1 3.81Å; V29-F79 HydrophobicContact CG2-CD2 4.24Å; V29-F79 HydrophobicContact CG2-CE1 4.41Å; V29-F79 HydrophobicContact CG2-CG 3.68Å; I75-F79 HydrophobicContact CG2-CD2 3.7Å; I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.2Å; I75-F79 PolarHBondContact O-N 3.44Å; F79-G83 PolarHBondContact O-N 3.13Å; F79-L124 HydrophobicContact CD1-CD2 4.41Å; F79-L124 HydrophobicContact CE1-CD1 4.46Å; F79-L124 HydrophobicContact CE1-CD2 3.68Å; F79-L124 HydrophobicContact CE1-CG 4.13Å; F79-L124 HydrophobicContact CE2-CD1 4.06Å; F79-L124 HydrophobicContact CZ-CD1 3.68Å; F79-L124 HydrophobicContact CZ-CD2 3.75Å; F79-L124 HydrophobicContact CZ-CG 3.77Å; F79-W128 HydrophobicContact CD2-CZ3 4.35Å; F79-W128 HydrophobicContact CE2-CD2 4.43Å; F79-W128 AromaticContact CE2-CE3 3.66Å; F79-W128 HydrophobicContact CE2-CE3 3.66Å; F79-W128 HydrophobicContact CE2-CH2 4.04Å; F79-W128 AromaticContact CE2-CZ3 3.44Å; F79-W128 HydrophobicContact CE2-CZ3 3.44Å; F79-W128 VanDerWaalsContact CE2-CZ3 3.44Å; F79-W128 AromaticContact CZ-CD2 3.98Å; F79-W128 HydrophobicContact CZ-CD2 3.98Å; F79-W128 AromaticContact CZ-CE3 3.58Å; F79-W128 HydrophobicContact CZ-CE3 3.58Å; F79-W128 HydrophobicContact CZ-CH2 4.42Å; F79-W128 AromaticContact CZ-CZ3 3.84Å; F79-W128 HydrophobicContact CZ-CZ3 3.84Å; F79-L219 HydrophobicContact CE1-CD1 4.08Å; F79-L219 HydrophobicContact CE1-CD2 4.15Å; F79-L219 HydrophobicContact CE1-CG 4.43Å; F79-L219 HydrophobicContact CZ-CD1 4.34Å
80F92.8Very high91.1Very high109 Ų10954.7 Ų54.748%0.47829%0.285SS..Hα-helixtrans-62.2-51.2174.3-177.1-103.9000111.2F26 A76 S77 F78 I84F26-F80 HydrophobicContact CD2-CD2 4.49Å; F26-F80 HydrophobicContact CE1-CD2 4.18Å; F26-F80 HydrophobicContact CE2-CD2 4.04Å; F26-F80 AromaticContact CE2-CE2 3.99Å; F26-F80 HydrophobicContact CE2-CE2 3.99Å; F26-F80 AromaticContact CZ-CD2 3.86Å; F26-F80 HydrophobicContact CZ-CD2 3.86Å; F26-F80 HydrophobicContact CZ-CE2 4.17Å; A76-F80 WeakPolarHBondContact O-CB 3.49Å; A76-F80 PolarHBondContact O-N 3.12Å; A76-F80 VanDerWaalsContact O-N 3.14Å; S77-F80 PolarHBondContact O-N 3.37Å; F78-F80 VanDerWaalsContact C-N 3.33Å; F78-F80 PolarHBondContact O-N 3.16Å; F80-I84 HydrophobicContact CD1-CD1 4.08Å; F80-I84 HydrophobicContact CE1-CD1 3.63Å; F80-I84 HydrophobicContact CE2-CD1 4.47Å; F80-I84 HydrophobicContact CZ-CD1 3.86Å; F80-I84 WeakPolarHBondContact O-CG1 3.43Å; F80-I84 PolarHBondContact O-N 3.25Å
81L94.4Very high90.8Very high109 Ų10951.2 Ų51.257%0.57127%0.274SS*.Hα-helixtrans-64.4-44.1177.4-67.8175.1000111.7S77 F78 G83 I84 I85S77-L81 PolarHBondContact O-N 3.18Å; S77-L81 VanDerWaalsContact O-N 3.16Å; F78-L81 PolarHBondContact O-N 3.25Å; L81-G83 PolarHBondContact O-N 2.88Å; L81-I84 PolarHBondContact O-N 3.35Å; L81-I85 WeakPolarHBondContact O-CG1 3.3Å; L81-I85 PolarHBondContact O-N 2.97Å
82Y92.4Very high90Very high20 Ų2056.2 Ų56.28%0.07829%0.286CS..Hα-helixtrans-64.1-41.5-179.5-170.5-116.7000112.3F78 I84 I85 L86 F117 T121 L124F78-Y82 HydrophobicContact CZ-CG 4.49Å; F78-Y82 VanDerWaalsContact O-CB 3.22Å; F78-Y82 WeakPolarHBondContact O-CB 3.35Å; F78-Y82 PolarHBondContact O-N 3.31Å; Y82-I84 PolarHBondContact O-N 3.37Å; Y82-I85 PolarHBondContact O-N 3.27Å; Y82-L86 HydrophobicContact CD1-CD1 3.75Å; Y82-L86 HydrophobicContact CD1-CG 4.28Å; Y82-L86 HydrophobicContact CE1-CD1 3.37Å; Y82-L86 HydrophobicContact CE1-CD2 4.45Å; Y82-L86 HydrophobicContact CE1-CG 3.97Å; Y82-L86 HydrophobicContact CE2-CG 4.39Å; Y82-L86 WeakPolarHBondContact O-CG 3.48Å; Y82-L86 PolarHBondContact O-N 3.21Å; Y82-F117 HydrophobicContact CE2-CD1 4.43Å; Y82-T121 WeakPolarHBondContact OH-CA 3.33Å; Y82-T121 PolarHBondContact OH-N 3.3Å; Y82-T121 PolarHBondContact OH-OG1 3.48Å; Y82-L124 HydrophobicContact CD1-CD2 3.66Å; Y82-L124 HydrophobicContact CE1-CD2 3.53Å
83G91.4Very high89Confident1 Ų156.3 Ų56.31%0.0129%0.287CS..Hα-helixtrans-62.5-39.1175.500000112.9F79 L81 L86 L87 Y222F79-G83 PolarHBondContact O-N 3.13Å; L81-G83 PolarHBondContact O-N 2.88Å; G83-L86 PolarHBondContact O-N 3.47Å; G83-L87 VanDerWaalsContact O-CB 3.32Å; G83-L87 WeakPolarHBondContact O-CB 3.23Å; G83-L87 PolarHBondContact O-N 3.38Å; G83-Y222 PolarHBondContact O-OH 2.96Å
84I92.8Very high88.1Confident80 Ų8051.1 Ų51.141%0.4127%0.269SS..Hα-helixtrans-62.5-44173.4-66.9170000110.7F26 F80 L81 Y82 L87 A88F26-I84 HydrophobicContact CZ-CG1 4.17Å; F80-I84 HydrophobicContact CD1-CD1 4.08Å; F80-I84 HydrophobicContact CE1-CD1 3.63Å; F80-I84 HydrophobicContact CE2-CD1 4.47Å; F80-I84 HydrophobicContact CZ-CD1 3.86Å; F80-I84 WeakPolarHBondContact O-CG1 3.43Å; F80-I84 PolarHBondContact O-N 3.25Å; L81-I84 PolarHBondContact O-N 3.35Å; Y82-I84 PolarHBondContact O-N 3.37Å; I84-L87 PolarHBondContact O-N 3.3Å; I84-A88 WeakPolarHBondContact O-CB 3.28Å; I84-A88 PolarHBondContact O-N 3.45Å
85I91.4Very high86.4Confident81 Ų8151.5 Ų51.542%0.41527%0.266SS..Hα-helixtrans-64.3-43.2179.5-66.5166000110.9L81 Y82 A88 E89 F117L81-I85 WeakPolarHBondContact O-CG1 3.3Å; L81-I85 PolarHBondContact O-N 2.97Å; Y82-I85 PolarHBondContact O-N 3.27Å; I85-A88 PolarHBondContact O-N 3.2Å; I85-E89 PolarHBondContact O-N 2.93Å; I85-F117 HydrophobicContact CG2-CD1 4.49Å; I85-F117 HydrophobicContact CG2-CE1 3.42Å; I85-F117 VanDerWaalsContact CG2-CE1 3.42Å; I85-F117 HydrophobicContact CG2-CZ 3.5Å
86L89.4Confident84.5Confident1 Ų151.3 Ų51.31%0.00527%0.27CS..Hα-helixtrans-66.6-37.4176.5-72.7179.6000112.6Y82 G83 E89 G90 F117 Y222 T226Y82-L86 HydrophobicContact CD1-CD1 3.75Å; Y82-L86 HydrophobicContact CD1-CG 4.28Å; Y82-L86 HydrophobicContact CE1-CD1 3.37Å; Y82-L86 HydrophobicContact CE1-CD2 4.45Å; Y82-L86 HydrophobicContact CE1-CG 3.97Å; Y82-L86 HydrophobicContact CE2-CG 4.39Å; Y82-L86 WeakPolarHBondContact O-CG 3.48Å; Y82-L86 PolarHBondContact O-N 3.21Å; G83-L86 PolarHBondContact O-N 3.47Å; L86-E89 PolarHBondContact O-N 2.99Å; L86-G90 PolarHBondContact O-N 2.92Å; L86-F117 HydrophobicContact CD2-CB 4.47Å; L86-F117 HydrophobicContact CD2-CD1 4.18Å; L86-Y222 HydrophobicContact CB-CD1 3.95Å; L86-Y222 HydrophobicContact CB-CE1 3.62Å; L86-Y222 HydrophobicContact CD1-CD1 3.93Å; L86-Y222 HydrophobicContact CD1-CD2 3.86Å; L86-Y222 HydrophobicContact CD1-CE1 4.12Å; L86-Y222 HydrophobicContact CD1-CE2 4.02Å; L86-Y222 HydrophobicContact CD1-CG 3.77Å; L86-T226 HydrophobicContact CD2-CG2 4.32Å
87L89.9Confident82.6Confident41 Ų4152.5 Ų52.522%0.21527%0.274CS..Hα-helixtrans-63.8-46.1173.8-177.260.8000110.7L19 T22 G83 I84 E89 G90 F91L19-L87 HydrophobicContact CB-CD1 4.3Å; T22-L87 HydrophobicContact CG2-CD2 4.3Å; G83-L87 VanDerWaalsContact O-CB 3.32Å; G83-L87 WeakPolarHBondContact O-CB 3.23Å; G83-L87 PolarHBondContact O-N 3.38Å; I84-L87 PolarHBondContact O-N 3.3Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 3.37Å; L87-G90 PolarHBondContact O-N 2.64Å; L87-G90 VanDerWaalsContact O-N 3.17Å; L87-F91 HydrophobicContact CD1-CD2 4.16Å; L87-F91 HydrophobicContact CD1-CE2 3.65Å; L87-F91 HydrophobicContact CD2-CE2 4.3Å; L87-F91 HydrophobicContact CG-CD2 4.06Å; L87-F91 HydrophobicContact CG-CE2 3.74Å; L87-F91 VanDerWaalsContact O-CD2 3.22Å; L87-F91 WeakPolarHBondContact O-CD2 3.48Å; L87-F91 PolarHBondContact O-N 3.48Å; L87-F91 VanDerWaalsContact O-N 3.09Å
88A87.6Confident80.8Confident35 Ų3552.6 Ų52.629%0.28927%0.265SS..Hα-helixtrans-58.9-44.5175.400000111.2I84 I85 G90 F91 Y92I84-A88 WeakPolarHBondContact O-CB 3.28Å; I84-A88 PolarHBondContact O-N 3.45Å; I85-A88 PolarHBondContact O-N 3.2Å; A88-G90 VanDerWaalsContact C-N 3.31Å; A88-G90 PolarHBondContact O-N 3.41Å; A88-F91 PolarHBondContact O-N 2.91Å; A88-F91 VanDerWaalsContact O-N 3.15Å; A88-Y92 HydrophobicContact CB-CD2 4.26Å; A88-Y92 HydrophobicContact CB-CE2 4.11Å; A88-Y92 WeakPolarHBondContact O-CD2 3.49Å; A88-Y92 PolarHBondContact O-N 3.19Å
89E84.3Confident78.8Confident14 Ų1455.5 Ų55.57%0.06528%0.28CS..Hα-helixtrans-57.2-43.8174.8-165.1-86.3176.600111.7I85 L86 L87 F91 Y92 T93 S114 F117I85-E89 PolarHBondContact O-N 2.93Å; L86-E89 PolarHBondContact O-N 2.99Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 3.37Å; E89-F91 VanDerWaalsContact C-N 3.33Å; E89-F91 PolarHBondContact O-N 3.39Å; E89-Y92 PolarHBondContact O-N 3.16Å; E89-T93 HydrophobicContact CG-CG2 4.25Å; E89-T93 WeakPolarHBondContact O-CB 3.06Å; E89-T93 WeakPolarHBondContact O-CG2 3.39Å; E89-T93 PolarHBondContact O-N 2.91Å; E89-T93 PolarHBondContact O-OG1 3.46Å; E89-T93 WeakPolarHBondContact OE1-CG2 3.38Å; E89-T93 PolarHBondContact OE2-OG1 3.41Å; E89-S114 PolarHBondContact OE1-OG 3.35Å; E89-S114 VanDerWaalsContact OE1-OG 3.05Å; E89-F117 HydrophobicContact CG-CD2 4.14Å
90G83.5Confident76.8Confident0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-58.9-42.117600000112.7L86 L87 A88 T94L86-G90 PolarHBondContact O-N 2.92Å; L87-G90 PolarHBondContact O-N 2.64Å; L87-G90 VanDerWaalsContact O-N 3.17Å; A88-G90 VanDerWaalsContact C-N 3.31Å; A88-G90 PolarHBondContact O-N 3.41Å; G90-T94 WeakPolarHBondContact O-CB 3.24Å; G90-T94 PolarHBondContact O-N 3.14Å; G90-T94 VanDerWaalsContact O-N 3.15Å; G90-T94 PolarHBondContact O-OG1 3.48Å
91F82.5Confident74.9Confident77 Ų7763 Ų6334%0.33832%0.321SS..Hα-helixtrans-67.5-44.1175.5-78.7-74.4000111.6V14 P15 L87 A88 E89 T93V14-F91 HydrophobicContact CG1-CE1 4.16Å; V14-F91 HydrophobicContact CG1-CZ 4.28Å; P15-F91 HydrophobicContact CG-CD1 3.99Å; P15-F91 HydrophobicContact CG-CD2 4.09Å; P15-F91 HydrophobicContact CG-CE1 4.14Å; P15-F91 HydrophobicContact CG-CE2 4.22Å; P15-F91 HydrophobicContact CG-CG 3.96Å; P15-F91 HydrophobicContact CG-CZ 4.24Å; L87-F91 HydrophobicContact CD1-CD2 4.16Å; L87-F91 HydrophobicContact CD1-CE2 3.65Å; L87-F91 HydrophobicContact CD2-CE2 4.3Å; L87-F91 HydrophobicContact CG-CD2 4.06Å; L87-F91 HydrophobicContact CG-CE2 3.74Å; L87-F91 VanDerWaalsContact O-CD2 3.22Å; L87-F91 WeakPolarHBondContact O-CD2 3.48Å; L87-F91 PolarHBondContact O-N 3.48Å; L87-F91 VanDerWaalsContact O-N 3.09Å; A88-F91 PolarHBondContact O-N 2.91Å; A88-F91 VanDerWaalsContact O-N 3.15Å; E89-F91 VanDerWaalsContact C-N 3.33Å; E89-F91 PolarHBondContact O-N 3.39Å; F91-T93 VanDerWaalsContact C-N 3.32Å; F91-T93 PolarHBondContact O-N 3.04Å
92Y74.9Confident72.5Confident174 Ų17463.2 Ų63.268%0.68233%0.331SS*.Hα-helixtrans-69.7-26.5-178.8-74.5-59.7000114A88 E89 K98A88-Y92 HydrophobicContact CB-CD2 4.26Å; A88-Y92 HydrophobicContact CB-CE2 4.11Å; A88-Y92 WeakPolarHBondContact O-CD2 3.49Å; A88-Y92 PolarHBondContact O-N 3.19Å; E89-Y92 PolarHBondContact O-N 3.16Å; Y92-K98 WeakPolarHBondContact O-CE 3.32Å
93T71.6Confident70.3Confident15 Ų1570.7 Ų70.79%0.09237%0.366CS..Hα-helixtrans-95.5-14-179.455.10000114.1E89 F91 S95 N229 L233E89-T93 HydrophobicContact CG-CG2 4.25Å; E89-T93 WeakPolarHBondContact O-CB 3.06Å; E89-T93 WeakPolarHBondContact O-CG2 3.39Å; E89-T93 PolarHBondContact O-N 2.91Å; E89-T93 PolarHBondContact O-OG1 3.46Å; E89-T93 WeakPolarHBondContact OE1-CG2 3.38Å; E89-T93 PolarHBondContact OE2-OG1 3.41Å; F91-T93 VanDerWaalsContact C-N 3.32Å; F91-T93 PolarHBondContact O-N 3.04Å; T93-S95 PolarHBondContact O-N 3.48Å; T93-N229 PolarHBondContact OG1-ND2 2.92Å; T93-L233 HydrophobicContact CG2-CD1 4.21Å
94T71.8Confident68.1Low22 Ų2278.6 Ų78.614%0.13540%0.401CS..SBendtrans-61.8128.9176.6-67.40000110.7G13 G90 A96 V97 K98G13-T94 WeakPolarHBondContact O-CG2 3.49Å; G90-T94 WeakPolarHBondContact O-CB 3.24Å; G90-T94 PolarHBondContact O-N 3.14Å; G90-T94 VanDerWaalsContact O-N 3.15Å; G90-T94 PolarHBondContact O-OG1 3.48Å; T94-A96 HydrophobicContact CG2-CB 4.37Å; T94-A96 PolarHBondContact O-N 3.47Å; T94-A96 VanDerWaalsContact O-N 3.12Å; T94-V97 PolarHBondContact O-N 2.85Å; T94-K98 PolarHBondContact O-N 2.93Å
95S56.7Low65.7Low47 Ų4783.2 Ų83.233%0.32942%0.418SS..Hα-helixtrans-58.4-29.9-170.5-73.60000114T93 V97 K98 E99 K236T93-S95 PolarHBondContact O-N 3.48Å; S95-V97 VanDerWaalsContact C-N 3.35Å; S95-V97 PolarHBondContact O-N 3.43Å; S95-K98 PolarHBondContact O-N 3.24Å; S95-E99 PolarHBondContact O-N 3.06Å; S95-E99 VanDerWaalsContact O-N 3.13Å; S95-K236 PolarHBondContact OG-NZ 3.17Å
96A52.1Low63.8Low34 Ų3483 Ų8328%0.28142%0.42SS..Hα-helixtrans-66.4-31.8177.900000113.5T94T94-A96 HydrophobicContact CG2-CB 4.37Å; T94-A96 PolarHBondContact O-N 3.47Å; T94-A96 VanDerWaalsContact O-N 3.12Å
97V54.3Low62.3Low62 Ų6287.3 Ų87.338%0.37645%0.447SS..Hα-helixtrans-78.7-34.7177.5177.70000110.8T94 S95 E99 L100 H101T94-V97 PolarHBondContact O-N 2.85Å; S95-V97 VanDerWaalsContact C-N 3.35Å; S95-V97 PolarHBondContact O-N 3.43Å; V97-E99 VanDerWaalsContact C-N 3.32Å; V97-E99 PolarHBondContact O-N 3.16Å; V97-L100 PolarHBondContact O-N 3.43Å; V97-H101 PolarHBondContact O-N 3Å
98K55.3Low60.9Low72 Ų7292 Ų9231%0.31347%0.471SS..Hα-helixtrans-67.8-30.4175.3-78.1-173.3172.4-174.50113.5Y92 T94 S95 L100 L233Y92-K98 WeakPolarHBondContact O-CE 3.32Å; T94-K98 PolarHBondContact O-N 2.93Å; S95-K98 PolarHBondContact O-N 3.24Å; K98-L100 VanDerWaalsContact C-N 3.34Å; K98-L233 HydrophobicContact CD-CD2 4.1Å
99E51.8Low59.9Low167 Ų16794 Ų9478%0.7848%0.482SS*.Hα-helixtrans-73.9-26.5176.5-147.3171.5-169.400112.3S95 V97S95-E99 PolarHBondContact O-N 3.06Å; S95-E99 VanDerWaalsContact O-N 3.13Å; V97-E99 VanDerWaalsContact C-N 3.32Å; V97-E99 PolarHBondContact O-N 3.16Å
100L50.9Low59.1Low142 Ų14295.1 Ų95.174%0.74350%0.497SS*.Hα-helixtrans-81.3-20.8177-128.788.6000113.9V97 K98V97-L100 PolarHBondContact O-N 3.43Å; K98-L100 VanDerWaalsContact C-N 3.34Å
101H52.9Low58.5Low130 Ų13099 Ų9960%0.60251%0.512SS*.SBendtrans-114.473.8176.3-100.551.4000109.4V97 E103V97-H101 PolarHBondContact O-N 3Å; H101-E103 PolarHBondContact O-N 3.25Å
102S44.6Very low58.3Low113 Ų11398.9 Ų98.979%0.7952%0.519SS*.THydrogen-bonded Turntrans-62.516.5-172.363.50000116.8
103E46.6Very low58.5Low176 Ų17694.7 Ų94.782%0.82251%0.508SS*.THydrogen-bonded Turntrans-146.611.7-175-84.9-136.5138.600116.7H101 K105H101-E103 PolarHBondContact O-N 3.25Å; E103-K105 PolarHBondContact O-N 3.38Å
104F45Very low58.9Low168 Ų16894.1 Ų94.174%0.73750%0.504SS*.  trans-80.182.1164.6-93.3-81.9000109.8T106F104-T106 PolarHBondContact O-N 3.28Å
105K43.3Very low59.4Low176 Ų17694.2 Ų94.277%0.76551%0.51SS*.  trans-41.1106.3161-150.4-177.7-162.7-178.20106.3E103 T107E103-K105 PolarHBondContact O-N 3.38Å; K105-T107 PolarHBondContact O-N 3.28Å
106T51.7Low60.9Low76 Ų7697.8 Ų97.847%0.46652%0.523SS..  trans-69.882.7-17643.70000107.9F104F104-T106 PolarHBondContact O-N 3.28Å
107T56.3Low62.5Low92 Ų9298.1 Ų98.156%0.56452%0.518SS*.  trans-55.2141.6172.336.90000107.9K105 C109 G110K105-T107 PolarHBondContact O-N 3.28Å; T107-C109 PolarHBondContact O-N 3.48Å; T107-G110 PolarHBondContact O-N 3.45Å
108I60.3Low64.1Low141 Ų14196.6 Ų96.672%0.72351%0.509SS*.Hα-helixtrans-42.5-30.9179.6-67163.7000112.3G110 R111 C112I108-G110 PolarHBondContact O-N 3.27Å; I108-R111 PolarHBondContact O-N 2.97Å; I108-C112 PolarHBondContact O-N 3.18Å; I108-C112 PolarHBondContact O-SG 2.89Å
109C66.7Low65.8Low76 Ų7698.9 Ų98.951%0.51452%0.519SS..Hα-helixtrans-54.1-45.2173.8-164.80000114.6T107 R111 C112 I113T107-C109 PolarHBondContact O-N 3.48Å; C109-R111 VanDerWaalsContact C-N 3.28Å; C109-R111 PolarHBondContact O-N 3.3Å; C109-C112 PolarHBondContact O-N 3.39Å; C109-I113 VanDerWaalsContact O-CG1 3.26Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.38Å
110G68.3Low67.7Low37 Ų3795.3 Ų95.338%0.38151%0.505SS..Hα-helixtrans-65.1-30.6-178.800000113.6T107 I108 S114T107-G110 PolarHBondContact O-N 3.45Å; I108-G110 PolarHBondContact O-N 3.27Å; G110-S114 PolarHBondContact O-N 3.19Å; G110-S114 VanDerWaalsContact O-N 3.07Å
111R70.3Confident69.7Low82 Ų8288.6 Ų88.631%0.30947%0.469SS..Hα-helixtrans-74-40175-69.6174.161.3175.2-4.7111.7I108 C109 I113 G115 S237I108-R111 PolarHBondContact O-N 2.97Å; C109-R111 VanDerWaalsContact C-N 3.28Å; C109-R111 PolarHBondContact O-N 3.3Å; R111-I113 VanDerWaalsContact C-N 3.32Å; R111-G115 PolarHBondContact O-N 2.98Å; R111-S237 PolarHBondContact NH1-OG 2.98Å; R111-S237 VanDerWaalsContact NH1-OG 3.12Å
112C77.9Confident71.6Confident74 Ų7488.5 Ų88.550%0.547%0.465SS..Hα-helixtrans-61.5-43.5173-67.10000110.6I108 C109 G115 M116I108-C112 PolarHBondContact O-N 3.18Å; I108-C112 PolarHBondContact O-SG 2.89Å; C109-C112 PolarHBondContact O-N 3.39Å; C112-G115 PolarHBondContact O-N 3.14Å; C112-M116 VanDerWaalsContact O-CG 3.29Å; C112-M116 WeakPolarHBondContact O-CG 3.46Å; C112-M116 PolarHBondContact O-N 3.42Å
113I80.5Confident74Confident86 Ų8687.2 Ų87.244%0.44145%0.448SS..Hα-helixtrans-62.7-50.1178.9-67.7163.8000111.6C109 R111 G115 M116 F117C109-I113 VanDerWaalsContact O-CG1 3.26Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.38Å; R111-I113 VanDerWaalsContact C-N 3.32Å; I113-G115 VanDerWaalsContact C-N 3.31Å; I113-G115 PolarHBondContact O-N 3.05Å; I113-M116 WeakPolarHBondContact O-CB 3.35Å; I113-M116 PolarHBondContact O-N 3.21Å; I113-M116 VanDerWaalsContact O-N 3.15Å; I113-F117 HydrophobicContact CG2-CD2 3.92Å; I113-F117 HydrophobicContact CG2-CE2 3.46Å; I113-F117 VanDerWaalsContact CG2-CE2 3.46Å; I113-F117 HydrophobicContact CG2-CZ 4.48Å; I113-F117 WeakPolarHBondContact O-CD2 3.42Å; I113-F117 PolarHBondContact O-N 2.92Å; I113-F117 VanDerWaalsContact O-N 3.08Å
114S80.3Confident76.2Confident3 Ų380.1 Ų80.12%0.02142%0.416CS..Hα-helixtrans-62.7-38.1177.2-175.40000111.8E89 G110 M116 F117 V118E89-S114 PolarHBondContact OE1-OG 3.35Å; E89-S114 VanDerWaalsContact OE1-OG 3.05Å; G110-S114 PolarHBondContact O-N 3.19Å; G110-S114 VanDerWaalsContact O-N 3.07Å; S114-M116 PolarHBondContact O-N 2.86Å; S114-F117 PolarHBondContact O-N 3.28Å; S114-V118 PolarHBondContact O-N 2.69Å; S114-V118 VanDerWaalsContact O-N 3.14Å
115G82.4Confident78.5Confident24 Ų2472.7 Ų72.725%0.24739%0.387CS..Hα-helixtrans-62.4-38.8172.500000113.7R111 C112 I113 F117 V118 F119R111-G115 PolarHBondContact O-N 2.98Å; C112-G115 PolarHBondContact O-N 3.14Å; I113-G115 VanDerWaalsContact C-N 3.31Å; I113-G115 PolarHBondContact O-N 3.05Å; G115-F117 VanDerWaalsContact C-N 3.35Å; G115-V118 PolarHBondContact O-N 2.87Å; G115-F119 PolarHBondContact O-N 2.8Å
116M86.3Confident81Confident123 Ų12367.9 Ų67.961%0.60637%0.372SS*.Hα-helixtrans-64.1-38.9174.3-71.3-59.9-167.900111.7C112 I113 S114 F119 L120C112-M116 VanDerWaalsContact O-CG 3.29Å; C112-M116 WeakPolarHBondContact O-CG 3.46Å; C112-M116 PolarHBondContact O-N 3.42Å; I113-M116 WeakPolarHBondContact O-CB 3.35Å; I113-M116 PolarHBondContact O-N 3.21Å; I113-M116 VanDerWaalsContact O-N 3.15Å; S114-M116 PolarHBondContact O-N 2.86Å; M116-F119 PolarHBondContact O-N 3.47Å; M116-L120 WeakPolarHBondContact O-CB 3.32Å; M116-L120 VanDerWaalsContact O-CG 3.29Å; M116-L120 WeakPolarHBondContact O-CG 3.45Å; M116-L120 PolarHBondContact O-N 3.37Å
117F86.7Confident83Confident41 Ų4166.9 Ų66.918%0.1837%0.372CS..Hα-helixtrans-63.4-41.6175.7-76.1-62.4000112.7Y82 I85 L86 E89 I113 S114 G115 L120 T121Y82-F117 HydrophobicContact CE2-CD1 4.43Å; I85-F117 HydrophobicContact CG2-CD1 4.49Å; I85-F117 HydrophobicContact CG2-CE1 3.42Å; I85-F117 VanDerWaalsContact CG2-CE1 3.42Å; I85-F117 HydrophobicContact CG2-CZ 3.5Å; L86-F117 HydrophobicContact CD2-CB 4.47Å; L86-F117 HydrophobicContact CD2-CD1 4.18Å; E89-F117 HydrophobicContact CG-CD2 4.14Å; I113-F117 HydrophobicContact CG2-CD2 3.92Å; I113-F117 HydrophobicContact CG2-CE2 3.46Å; I113-F117 VanDerWaalsContact CG2-CE2 3.46Å; I113-F117 HydrophobicContact CG2-CZ 4.48Å; I113-F117 WeakPolarHBondContact O-CD2 3.42Å; I113-F117 PolarHBondContact O-N 2.92Å; I113-F117 VanDerWaalsContact O-N 3.08Å; S114-F117 PolarHBondContact O-N 3.28Å; G115-F117 VanDerWaalsContact C-N 3.35Å; F117-L120 PolarHBondContact O-N 3.35Å; F117-T121 WeakPolarHBondContact O-CB 3.21Å; F117-T121 PolarHBondContact O-N 3.47Å; F117-T121 PolarHBondContact O-OG1 2.87Å
118V88.5Confident84.9Confident29 Ų2962.9 Ų62.918%0.17635%0.346CS..Hα-helixtrans-59.5-48.3174.1173.30000110.6S114 G115 T121 Y122 T227 F230S114-V118 PolarHBondContact O-N 2.69Å; S114-V118 VanDerWaalsContact O-N 3.14Å; G115-V118 PolarHBondContact O-N 2.87Å; V118-T121 PolarHBondContact O-N 3.14Å; V118-Y122 WeakPolarHBondContact O-CB 3.33Å; V118-Y122 PolarHBondContact O-N 3.34Å; V118-T227 HydrophobicContact CG1-CG2 3.62Å; V118-T227 HydrophobicContact CG2-CG2 4.23Å; V118-F230 HydrophobicContact CG2-CB 4.41Å
119F90.6Very high86.5Confident121 Ų12160.6 Ų60.653%0.53134%0.335SS..Hα-helixtrans-61.6-47.8179.3178-101.9000112.1G115 M116 T121 Y122 I123G115-F119 PolarHBondContact O-N 2.8Å; M116-F119 PolarHBondContact O-N 3.47Å; F119-T121 PolarHBondContact O-N 3.01Å; F119-Y122 WeakPolarHBondContact O-CB 3.42Å; F119-Y122 PolarHBondContact O-N 2.93Å; F119-I123 HydrophobicContact CD1-CG1 4.46Å; F119-I123 HydrophobicContact CE1-CG1 4.03Å; F119-I123 HydrophobicContact CE2-CD1 4.19Å; F119-I123 HydrophobicContact CE2-CG1 4.15Å; F119-I123 HydrophobicContact CZ-CD1 4.09Å; F119-I123 HydrophobicContact CZ-CG1 3.86Å; F119-I123 WeakPolarHBondContact O-CG1 3.31Å; F119-I123 PolarHBondContact O-N 3.29Å
120L91.4Very high87.9Confident91 Ų9158.4 Ų58.448%0.47633%0.325SS..Hα-helixtrans-62.3-43.4178.1-72.2173.3000112.1M116 F117 Y122 I123 L124M116-L120 WeakPolarHBondContact O-CB 3.32Å; M116-L120 VanDerWaalsContact O-CG 3.29Å; M116-L120 WeakPolarHBondContact O-CG 3.45Å; M116-L120 PolarHBondContact O-N 3.37Å; F117-L120 PolarHBondContact O-N 3.35Å; L120-Y122 VanDerWaalsContact C-N 3.28Å; L120-Y122 PolarHBondContact O-N 3.36Å; L120-I123 PolarHBondContact O-N 3.4Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 PolarHBondContact O-N 2.88Å
121T92.2Very high89.1Confident1 Ų158.6 Ų58.61%0.00632%0.319CS..Hα-helixtrans-62.7-38.3178.4-52.30000110.7Y82 F117 V118 F119 G125 L219 M223Y82-T121 WeakPolarHBondContact OH-CA 3.33Å; Y82-T121 PolarHBondContact OH-N 3.3Å; Y82-T121 PolarHBondContact OH-OG1 3.48Å; F117-T121 WeakPolarHBondContact O-CB 3.21Å; F117-T121 PolarHBondContact O-N 3.47Å; F117-T121 PolarHBondContact O-OG1 2.87Å; V118-T121 PolarHBondContact O-N 3.14Å; F119-T121 PolarHBondContact O-N 3.01Å; T121-G125 PolarHBondContact O-N 2.86Å; T121-L219 HydrophobicContact CG2-CD2 4.34Å; T121-M223 HydrophobicContact CG2-CB 4.42Å
122Y93.4Very high90.3Very high129 Ų12958.6 Ų58.651%0.50632%0.321SS..Hα-helixtrans-63.8-51.1176.3175.2-98.4000112.1V118 F119 L120 L124 G125 V126 M223V118-Y122 WeakPolarHBondContact O-CB 3.33Å; V118-Y122 PolarHBondContact O-N 3.34Å; F119-Y122 WeakPolarHBondContact O-CB 3.42Å; F119-Y122 PolarHBondContact O-N 2.93Å; L120-Y122 VanDerWaalsContact C-N 3.28Å; L120-Y122 PolarHBondContact O-N 3.36Å; Y122-L124 VanDerWaalsContact C-N 3.28Å; Y122-L124 PolarHBondContact O-N 2.72Å; Y122-G125 PolarHBondContact O-N 3.39Å; Y122-G125 VanDerWaalsContact O-N 3.16Å; Y122-V126 HydrophobicContact CE1-CG2 4.15Å; Y122-V126 HydrophobicContact CE2-CG2 4.24Å; Y122-V126 WeakPolarHBondContact O-CG2 3.39Å; Y122-V126 PolarHBondContact O-N 3.22Å; Y122-M223 HydrophobicContact CD2-SD 3.99Å
123I94.9Very high91.1Very high85 Ų8557.2 Ų57.244%0.43632%0.319SS..Hα-helixtrans-60.3-42178.4-62.6-60.9000110.6F119 L120 V126 A127F119-I123 HydrophobicContact CD1-CG1 4.46Å; F119-I123 HydrophobicContact CE1-CG1 4.03Å; F119-I123 HydrophobicContact CE2-CD1 4.19Å; F119-I123 HydrophobicContact CE2-CG1 4.15Å; F119-I123 HydrophobicContact CZ-CD1 4.09Å; F119-I123 HydrophobicContact CZ-CG1 3.86Å; F119-I123 WeakPolarHBondContact O-CG1 3.31Å; F119-I123 PolarHBondContact O-N 3.29Å; L120-I123 PolarHBondContact O-N 3.4Å; I123-V126 PolarHBondContact O-N 2.79Å; I123-A127 WeakPolarHBondContact O-CB 3.36Å; I123-A127 PolarHBondContact O-N 2.91Å
124L93.3Very high91.6Very high27 Ų2760.8 Ų60.814%0.14133%0.332CS..Hα-helixtrans-63.4-42176.5-17062.3000111.8F78 F79 Y82 L120 Y122 V126 A127 W128 L219F78-L124 HydrophobicContact CE1-CD1 3.99Å; F78-L124 HydrophobicContact CE1-CD2 4.04Å; F79-L124 HydrophobicContact CD1-CD2 4.41Å; F79-L124 HydrophobicContact CE1-CD1 4.46Å; F79-L124 HydrophobicContact CE1-CD2 3.68Å; F79-L124 HydrophobicContact CE1-CG 4.13Å; F79-L124 HydrophobicContact CE2-CD1 4.06Å; F79-L124 HydrophobicContact CZ-CD1 3.68Å; F79-L124 HydrophobicContact CZ-CD2 3.75Å; F79-L124 HydrophobicContact CZ-CG 3.77Å; Y82-L124 HydrophobicContact CD1-CD2 3.66Å; Y82-L124 HydrophobicContact CE1-CD2 3.53Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 PolarHBondContact O-N 2.88Å; Y122-L124 VanDerWaalsContact C-N 3.28Å; Y122-L124 PolarHBondContact O-N 2.72Å; L124-V126 PolarHBondContact O-N 3.09Å; L124-A127 PolarHBondContact O-N 3.35Å; L124-W128 VanDerWaalsContact O-CB 3.24Å; L124-W128 WeakPolarHBondContact O-CB 3.46Å; L124-W128 PolarHBondContact O-N 3.45Å; L124-L219 HydrophobicContact CD2-CD1 4.5Å; L124-L219 HydrophobicContact CD2-CD2 3.84Å; L124-L219 HydrophobicContact CG-CD1 4.09Å; L124-L219 HydrophobicContact CG-CD2 4.24Å
125G93.7Very high92.3Very high13 Ų1361.3 Ų61.313%0.13434%0.335CS..Hα-helixtrans-59.8-44.3175.300000112.9T121 Y122 W128 L129T121-G125 PolarHBondContact O-N 2.86Å; Y122-G125 PolarHBondContact O-N 3.39Å; Y122-G125 VanDerWaalsContact O-N 3.16Å; G125-W128 PolarHBondContact O-N 3.44Å; G125-L129 WeakPolarHBondContact O-CG 3.29Å; G125-L129 PolarHBondContact O-N 3.31Å
126V95.2Very high92.8Very high74 Ų7462.3 Ų62.345%0.44834%0.342SS..Hα-helixtrans-66.3-44.7176.7175.20000111.4Y122 I123 L124 W128 L129 G130Y122-V126 HydrophobicContact CE1-CG2 4.15Å; Y122-V126 HydrophobicContact CE2-CG2 4.24Å; Y122-V126 WeakPolarHBondContact O-CG2 3.39Å; Y122-V126 PolarHBondContact O-N 3.22Å; I123-V126 PolarHBondContact O-N 2.79Å; L124-V126 PolarHBondContact O-N 3.09Å; V126-W128 VanDerWaalsContact C-N 3.26Å; V126-W128 PolarHBondContact O-N 3.43Å; V126-L129 WeakPolarHBondContact O-CB 3.43Å; V126-L129 PolarHBondContact O-N 2.66Å; V126-G130 PolarHBondContact O-N 3.36Å
127A94.3Very high93Very high56 Ų5660.2 Ų60.246%0.46334%0.336SS..Hα-helixtrans-59.2-41.3176.100000111.3I123 L124 G130 V131I123-A127 WeakPolarHBondContact O-CB 3.36Å; I123-A127 PolarHBondContact O-N 2.91Å; L124-A127 PolarHBondContact O-N 3.35Å; A127-G130 WeakPolarHBondContact O-CA 3.41Å; A127-G130 PolarHBondContact O-N 3.01Å; A127-G130 VanDerWaalsContact O-N 3.12Å; A127-V131 PolarHBondContact O-N 2.87Å; A127-V131 VanDerWaalsContact O-N 3.13Å
128W95.1Very high93.2Very high8 Ų859.7 Ų59.73%0.0334%0.336CS..Hα-helixtrans-74.8-28-177.5-154.2-99.4000113.8F32 I75 F79 L124 G125 V126 G130 V131 F132 A212 T215 V216 L219F32-W128 AromaticContact CD1-CH2 3.89Å; F32-W128 HydrophobicContact CD1-CH2 3.89Å; F32-W128 AromaticContact CD1-CZ2 3.93Å; F32-W128 HydrophobicContact CD1-CZ2 3.93Å; F32-W128 HydrophobicContact CE1-CH2 4.06Å; F32-W128 HydrophobicContact CE1-CZ2 4.35Å; F32-W128 HydrophobicContact CG-CZ2 4.28Å; I75-W128 HydrophobicContact CD1-CZ3 4.35Å; I75-W128 HydrophobicContact CG2-CH2 3.54Å; I75-W128 HydrophobicContact CG2-CZ3 3.63Å; F79-W128 HydrophobicContact CD2-CZ3 4.35Å; F79-W128 HydrophobicContact CE2-CD2 4.43Å; F79-W128 AromaticContact CE2-CE3 3.66Å; F79-W128 HydrophobicContact CE2-CE3 3.66Å; F79-W128 HydrophobicContact CE2-CH2 4.04Å; F79-W128 AromaticContact CE2-CZ3 3.44Å; F79-W128 HydrophobicContact CE2-CZ3 3.44Å; F79-W128 VanDerWaalsContact CE2-CZ3 3.44Å; F79-W128 AromaticContact CZ-CD2 3.98Å; F79-W128 HydrophobicContact CZ-CD2 3.98Å; F79-W128 AromaticContact CZ-CE3 3.58Å; F79-W128 HydrophobicContact CZ-CE3 3.58Å; F79-W128 HydrophobicContact CZ-CH2 4.42Å; F79-W128 AromaticContact CZ-CZ3 3.84Å; F79-W128 HydrophobicContact CZ-CZ3 3.84Å; L124-W128 VanDerWaalsContact O-CB 3.24Å; L124-W128 WeakPolarHBondContact O-CB 3.46Å; L124-W128 PolarHBondContact O-N 3.45Å; G125-W128 PolarHBondContact O-N 3.44Å; V126-W128 VanDerWaalsContact C-N 3.26Å; V126-W128 PolarHBondContact O-N 3.43Å; W128-G130 PolarHBondContact O-N 3.11Å; W128-V131 HydrophobicContact CD2-CB 4.31Å; W128-V131 HydrophobicContact CD2-CG2 4.47Å; W128-V131 HydrophobicContact CE3-CB 4.37Å; W128-V131 HydrophobicContact CE3-CG2 4.07Å; W128-V131 HydrophobicContact CH2-CG1 4.5Å; W128-V131 HydrophobicContact CZ2-CG1 4.48Å; W128-V131 HydrophobicContact CZ3-CG2 4.4Å; W128-V131 PolarHBondContact O-N 3.33Å; W128-F132 PolarHBondContact O-N 3.05Å; W128-A212 PolarHBondContact NE1-O 3.36Å; W128-T215 PolarHBondContact NE1-OG1 3.2Å; W128-V216 HydrophobicContact CG-CG2 4.49Å; W128-L219 HydrophobicContact CB-CD1 3.83Å; W128-L219 HydrophobicContact CG-CD1 4.14Å
129L95.1Very high93.4Very high92 Ų9259.8 Ų59.848%0.48234%0.337SS..Hα-helixtrans-59.3-38.6165.4-81.5169.8000111.7G125 V126 F132 G133 V216G125-L129 WeakPolarHBondContact O-CG 3.29Å; G125-L129 PolarHBondContact O-N 3.31Å; V126-L129 WeakPolarHBondContact O-CB 3.43Å; V126-L129 PolarHBondContact O-N 2.66Å; L129-F132 PolarHBondContact O-N 3.07Å; L129-G133 PolarHBondContact O-N 2.67Å; L129-V216 HydrophobicContact CD2-CG1 3.59Å; L129-V216 HydrophobicContact CD2-CG2 4.07Å; L129-V216 HydrophobicContact CG-CG1 4.04Å; L129-V216 HydrophobicContact CG-CG2 4.34Å
130G94.8Very high93.4Very high30 Ų3059.7 Ų59.731%0.30934%0.336SS..Hα-helixtrans-60.7-48.7171.500000111.9V126 A127 W128 F132 G133 F134V126-G130 PolarHBondContact O-N 3.36Å; A127-G130 WeakPolarHBondContact O-CA 3.41Å; A127-G130 PolarHBondContact O-N 3.01Å; A127-G130 VanDerWaalsContact O-N 3.12Å; W128-G130 PolarHBondContact O-N 3.11Å; G130-F132 VanDerWaalsContact C-N 3.32Å; G130-F132 PolarHBondContact O-N 3.27Å; G130-G133 PolarHBondContact O-N 2.88Å; G130-G133 VanDerWaalsContact O-N 3.14Å; G130-F134 WeakPolarHBondContact O-CD2 3.37Å; G130-F134 PolarHBondContact O-N 3.42Å
131V93.9Very high93.3Very high41 Ų4156.5 Ų56.525%0.24832%0.32CS..Hα-helixtrans-58-44.2177178.20000111.5F32 A127 W128 G133 F134 S135F32-V131 HydrophobicContact CE1-CG1 3.96Å; F32-V131 HydrophobicContact CE2-CG1 3.86Å; F32-V131 HydrophobicContact CZ-CG1 3.4Å; A127-V131 PolarHBondContact O-N 2.87Å; A127-V131 VanDerWaalsContact O-N 3.13Å; W128-V131 HydrophobicContact CD2-CB 4.31Å; W128-V131 HydrophobicContact CD2-CG2 4.47Å; W128-V131 HydrophobicContact CE3-CB 4.37Å; W128-V131 HydrophobicContact CE3-CG2 4.07Å; W128-V131 HydrophobicContact CH2-CG1 4.5Å; W128-V131 HydrophobicContact CZ2-CG1 4.48Å; W128-V131 HydrophobicContact CZ3-CG2 4.4Å; W128-V131 PolarHBondContact O-N 3.33Å; V131-G133 PolarHBondContact O-N 2.91Å; V131-F134 PolarHBondContact O-N 3.3Å; V131-S135 WeakPolarHBondContact O-CB 3.47Å; V131-S135 PolarHBondContact O-N 2.79Å; V131-S135 PolarHBondContact O-OG 3.29Å
132F95.9Very high93.1Very high83 Ų8357.1 Ų57.136%0.36432%0.322SS..Hα-helixtrans-58.5-47.4174.7176.4-116.1000111.6W128 L129 G130 S135 A136 C209 A212 V216W128-F132 PolarHBondContact O-N 3.05Å; L129-F132 PolarHBondContact O-N 3.07Å; G130-F132 VanDerWaalsContact C-N 3.32Å; G130-F132 PolarHBondContact O-N 3.27Å; F132-S135 PolarHBondContact O-N 2.95Å; F132-S135 PolarHBondContact O-OG 3.21Å; F132-A136 PolarHBondContact O-N 3.45Å; F132-C209 WeakPolarHBondContact CE2-O 3.37Å; F132-A212 HydrophobicContact CB-CB 4.28Å; F132-A212 HydrophobicContact CD2-CB 4.06Å; F132-V216 HydrophobicContact CB-CG2 4.17Å
133G94.9Very high93Very high44 Ų4456.6 Ų56.645%0.45432%0.32SS..Hα-helixtrans-60.3-45.9176.200000113.3L129 G130 V131 S135 A136L129-G133 PolarHBondContact O-N 2.67Å; G130-G133 PolarHBondContact O-N 2.88Å; G130-G133 VanDerWaalsContact O-N 3.14Å; V131-G133 PolarHBondContact O-N 2.91Å; G133-S135 VanDerWaalsContact C-N 3.34Å; G133-S135 PolarHBondContact O-N 3.44Å; G133-A136 WeakPolarHBondContact O-CB 3.43Å; G133-A136 PolarHBondContact O-N 2.9Å
134F91.6Very high92.7Very high161 Ų16154.9 Ų54.971%0.70631%0.312SS*.Hα-helixtrans-67.5-33177.6-75.9-65.4000112.7G130 V131 A136 V137 P138G130-F134 WeakPolarHBondContact O-CD2 3.37Å; G130-F134 PolarHBondContact O-N 3.42Å; V131-F134 PolarHBondContact O-N 3.3Å; F134-A136 PolarHBondContact O-N 3.06Å; F134-V137 WeakPolarHBondContact O-CB 3.45Å; F134-V137 PolarHBondContact O-N 3.45Å; F134-V137 VanDerWaalsContact O-N 3.13Å; F134-P138 WeakPolarHBondContact O-CD 3.32Å
135S93.5Very high92.3Very high14 Ų1454.4 Ų54.410%0.09831%0.309CS..Hα-helixtrans-66.2-20.3177.175.30000113.7V131 F132 G133 V137 P138V131-S135 WeakPolarHBondContact O-CB 3.47Å; V131-S135 PolarHBondContact O-N 2.79Å; V131-S135 PolarHBondContact O-OG 3.29Å; F132-S135 PolarHBondContact O-N 2.95Å; F132-S135 PolarHBondContact O-OG 3.21Å; G133-S135 VanDerWaalsContact C-N 3.34Å; G133-S135 PolarHBondContact O-N 3.44Å; S135-V137 VanDerWaalsContact C-N 3.3Å; S135-V137 PolarHBondContact O-N 3.47Å; S135-P138 VanDerWaalsContact O-CD 3.31Å; S135-P138 WeakPolarHBondContact O-CD 3.15Å; S135-P138 WeakPolarHBondContact O-CG 3.18Å
136A93.7Very high92Very high46 Ų4657.7 Ų57.738%0.3832%0.318SS..Hα-helixtrans-71.8-23.3174.300000112.9F132 G133 F134 V139 F140F132-A136 PolarHBondContact O-N 3.45Å; G133-A136 WeakPolarHBondContact O-CB 3.43Å; G133-A136 PolarHBondContact O-N 2.9Å; F134-A136 PolarHBondContact O-N 3.06Å; A136-V139 PolarHBondContact O-N 3.42Å; A136-F140 WeakPolarHBondContact O-CB 3.49Å; A136-F140 PolarHBondContact O-N 2.96Å
137V91.4Very high91.7Very high79 Ų7955.5 Ų55.548%0.47931%0.308SS..Hα-helixtrans-59.8-58.1179.1178.80000111.4F134 S135 V139 F140 L141F134-V137 WeakPolarHBondContact O-CB 3.45Å; F134-V137 PolarHBondContact O-N 3.45Å; F134-V137 VanDerWaalsContact O-N 3.13Å; S135-V137 VanDerWaalsContact C-N 3.3Å; S135-V137 PolarHBondContact O-N 3.47Å; V137-V139 VanDerWaalsContact C-N 3.27Å; V137-V139 PolarHBondContact O-N 3.34Å; V137-F140 WeakPolarHBondContact O-CB 3.43Å; V137-F140 PolarHBondContact O-N 2.96Å; V137-F140 VanDerWaalsContact O-N 3.11Å; V137-L141 HydrophobicContact CG1-CD1 4.4Å; V137-L141 WeakPolarHBondContact O-CG 3.2Å; V137-L141 PolarHBondContact O-N 3.24Å
138P89.4Confident91.2Very high30 Ų3054.7 Ų54.720%0.19530%0.297CS..Hα-helixtrans-61.2-34.117823.6-33.8000112.9F134 S135 F140 L141 F142 Y205F134-P138 WeakPolarHBondContact O-CD 3.32Å; S135-P138 VanDerWaalsContact O-CD 3.31Å; S135-P138 WeakPolarHBondContact O-CD 3.15Å; S135-P138 WeakPolarHBondContact O-CG 3.18Å; P138-F140 PolarHBondContact O-N 3.46Å; P138-L141 PolarHBondContact O-N 2.97Å; P138-F142 WeakPolarHBondContact O-CD2 3.45Å; P138-F142 PolarHBondContact O-N 2.82Å; P138-Y205 HydrophobicContact CB-CD1 3.7Å; P138-Y205 HydrophobicContact CB-CD2 4.49Å; P138-Y205 HydrophobicContact CB-CE1 3.59Å; P138-Y205 HydrophobicContact CB-CE2 4.41Å; P138-Y205 HydrophobicContact CB-CG 4.17Å; P138-Y205 HydrophobicContact CG-CD1 3.79Å; P138-Y205 HydrophobicContact CG-CE1 3.83Å
139V93.1Very high90.6Very high31 Ų3154.6 Ų54.619%0.18830%0.297CS..Hα-helixtrans-60.3-46.3174.2178.30000111A136 V137 L141 Y143 Y205 I206 C209A136-V139 PolarHBondContact O-N 3.42Å; V137-V139 VanDerWaalsContact C-N 3.27Å; V137-V139 PolarHBondContact O-N 3.34Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.16Å; V139-Y143 VanDerWaalsContact O-CB 3.25Å; V139-Y143 WeakPolarHBondContact O-CB 3.45Å; V139-Y143 PolarHBondContact O-N 3.01Å; V139-Y205 WeakPolarHBondContact CG2-O 3.35Å; V139-I206 HydrophobicContact CG1-CG1 4.14Å; V139-C209 HydrophobicContact CG2-CB 3.89Å
140F91.4Very high90.1Very high118 Ų11853.5 Ų53.552%0.51829%0.292SS..Hα-helixtrans-61.9-41.6177.1179.3-103.8000111.8A136 V137 P138 Y143 N144A136-F140 WeakPolarHBondContact O-CB 3.49Å; A136-F140 PolarHBondContact O-N 2.96Å; V137-F140 WeakPolarHBondContact O-CB 3.43Å; V137-F140 PolarHBondContact O-N 2.96Å; V137-F140 VanDerWaalsContact O-N 3.11Å; P138-F140 PolarHBondContact O-N 3.46Å; F140-Y143 PolarHBondContact O-N 2.87Å; F140-N144 WeakPolarHBondContact CD1-ND2 3.44Å; F140-N144 WeakPolarHBondContact CE1-ND2 3.49Å; F140-N144 VanDerWaalsContact CE2-ND2 3.35Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.38Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.3Å; F140-N144 PolarHBondContact O-N 3.18Å; F140-N144 PolarHBondContact O-ND2 2.91Å
141L88.6Confident89.4Confident24 Ų2455.6 Ų55.613%0.12630%0.299CS..Hα-helixtrans-59.3-55.3177.4-64.2179000111.9V137 P138 V139 Y143 N144 I145 Y172 I174V137-L141 HydrophobicContact CG1-CD1 4.4Å; V137-L141 WeakPolarHBondContact O-CG 3.2Å; V137-L141 PolarHBondContact O-N 3.24Å; P138-L141 PolarHBondContact O-N 2.97Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.16Å; L141-Y143 VanDerWaalsContact C-N 3.27Å; L141-Y143 PolarHBondContact O-N 2.98Å; L141-N144 PolarHBondContact O-N 2.96Å; L141-I145 WeakPolarHBondContact O-CG1 3.43Å; L141-I145 PolarHBondContact O-N 3.49Å; L141-Y172 HydrophobicContact CD2-CD1 2.96Å; L141-Y172 HydrophobicContact CD2-CD2 3.72Å; L141-Y172 HydrophobicContact CD2-CE1 3.28Å; L141-Y172 HydrophobicContact CD2-CE2 4.02Å; L141-Y172 HydrophobicContact CD2-CG 3.17Å; L141-Y172 HydrophobicContact CG-CD1 4.44Å; L141-I174 HydrophobicContact CD1-CD1 3.85Å
142F88.4Confident88.5Confident15 Ų1554.6 Ų54.67%0.06629%0.292CS..Hα-helixtrans-65.1-32.9-179.6-82.4-100.9000112T43 I46 P138 I145 W146 F198 Y202 Y205T43-F142 HydrophobicContact CG2-CZ 4.42Å; I46-F142 HydrophobicContact CD1-CE1 4.24Å; P138-F142 WeakPolarHBondContact O-CD2 3.45Å; P138-F142 PolarHBondContact O-N 2.82Å; F142-I145 PolarHBondContact O-N 2.88Å; F142-W146 WeakPolarHBondContact O-CB 3.34Å; F142-W146 PolarHBondContact O-N 3.37Å; F142-F198 AromaticContact CD1-CD2 3.73Å; F142-F198 HydrophobicContact CD1-CD2 3.73Å; F142-F198 AromaticContact CD1-CE2 3.31Å; F142-F198 HydrophobicContact CD1-CE2 3.31Å; F142-F198 AromaticContact CD1-CZ 3.98Å; F142-F198 HydrophobicContact CD1-CZ 3.98Å; F142-F198 AromaticContact CE1-CD2 3.69Å; F142-F198 HydrophobicContact CE1-CD2 3.69Å; F142-F198 AromaticContact CE1-CE2 3.72Å; F142-F198 HydrophobicContact CE1-CE2 3.72Å; F142-F198 HydrophobicContact CG-CE2 4.27Å; F142-Y202 HydrophobicContact CB-CD2 3.62Å; F142-Y202 HydrophobicContact CB-CE2 4.43Å; F142-Y202 HydrophobicContact CB-CG 4.42Å; F142-Y205 AromaticContact CD2-CD2 3.81Å; F142-Y205 HydrophobicContact CD2-CD2 3.81Å; F142-Y205 AromaticContact CD2-CE2 3.9Å; F142-Y205 HydrophobicContact CD2-CE2 3.9Å; F142-Y205 AromaticContact CE2-CD2 3.73Å; F142-Y205 HydrophobicContact CE2-CD2 3.73Å; F142-Y205 AromaticContact CE2-CE2 3.33Å; F142-Y205 HydrophobicContact CE2-CE2 3.33Å; F142-Y205 HydrophobicContact CG-CD2 4.37Å; F142-Y205 HydrophobicContact CZ-CD2 4.22Å; F142-Y205 AromaticContact CZ-CE2 3.76Å; F142-Y205 HydrophobicContact CZ-CE2 3.76Å
143Y90.7Very high87.4Confident117 Ų11756.6 Ų56.646%0.45930%0.3SS..Hα-helixtrans-60.9-44.6173.4178.4-98000112.3V139 F140 L141 I145 W146 A147V139-Y143 VanDerWaalsContact O-CB 3.25Å; V139-Y143 WeakPolarHBondContact O-CB 3.45Å; V139-Y143 PolarHBondContact O-N 3.01Å; F140-Y143 PolarHBondContact O-N 2.87Å; L141-Y143 VanDerWaalsContact C-N 3.27Å; L141-Y143 PolarHBondContact O-N 2.98Å; Y143-I145 VanDerWaalsContact C-N 3.34Å; Y143-I145 PolarHBondContact O-N 2.8Å; Y143-W146 HydrophobicContact CE2-CE3 4.48Å; Y143-W146 HydrophobicContact CE2-CZ3 4.46Å; Y143-W146 PolarHBondContact O-N 2.93Å; Y143-A147 VanDerWaalsContact O-CB 3.28Å; Y143-A147 WeakPolarHBondContact O-CB 3.38Å; Y143-A147 PolarHBondContact O-N 3.48Å
144N88.9Confident86.2Confident49 Ų4955.9 Ų55.926%0.26229%0.289SS..Hα-helixtrans-63.8-39.8177.7-79-78.4000112F140 L141 T148F140-N144 WeakPolarHBondContact CD1-ND2 3.44Å; F140-N144 WeakPolarHBondContact CE1-ND2 3.49Å; F140-N144 VanDerWaalsContact CE2-ND2 3.35Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.38Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.3Å; F140-N144 PolarHBondContact O-N 3.18Å; F140-N144 PolarHBondContact O-ND2 2.91Å; L141-N144 PolarHBondContact O-N 2.96Å; N144-T148 WeakPolarHBondContact O-CB 3.49Å; N144-T148 PolarHBondContact O-N 3.05Å; N144-T148 PolarHBondContact O-OG1 3.11Å
145I85.2Confident84.5Confident17 Ų1754.7 Ų54.79%0.08730%0.297CS..Hα-helixtrans-64.2-48.5176.2-59.8175.5000109.9L141 F142 Y143 A147 T148 C149 V167 F198L141-I145 WeakPolarHBondContact O-CG1 3.43Å; L141-I145 PolarHBondContact O-N 3.49Å; F142-I145 PolarHBondContact O-N 2.88Å; Y143-I145 VanDerWaalsContact C-N 3.34Å; Y143-I145 PolarHBondContact O-N 2.8Å; I145-A147 PolarHBondContact O-N 2.86Å; I145-T148 WeakPolarHBondContact O-CB 3.31Å; I145-T148 PolarHBondContact O-N 3.18Å; I145-C149 PolarHBondContact O-N 3.29Å; I145-C149 PolarHBondContact O-SG 3.13Å; I145-V167 HydrophobicContact CD1-CG1 4.18Å; I145-V167 HydrophobicContact CG1-CG1 3.81Å; I145-V167 HydrophobicContact CG1-CG2 4.38Å; I145-F198 HydrophobicContact CB-CE2 3.93Å; I145-F198 HydrophobicContact CB-CZ 3.74Å; I145-F198 HydrophobicContact CD1-CE2 4.31Å; I145-F198 HydrophobicContact CG2-CE1 4.38Å; I145-F198 HydrophobicContact CG2-CE2 3.55Å; I145-F198 HydrophobicContact CG2-CZ 3.47Å; I145-F198 VanDerWaalsContact CG2-CZ 3.47Å
146W87.9Confident82.7Confident82 Ų8261.9 Ų61.931%0.31133%0.331SS..Hα-helixtrans-62.8-41.3178.5179.785.2000113F142 Y143 T148 C149 N150 F198F142-W146 WeakPolarHBondContact O-CB 3.34Å; F142-W146 PolarHBondContact O-N 3.37Å; Y143-W146 HydrophobicContact CE2-CE3 4.48Å; Y143-W146 HydrophobicContact CE2-CZ3 4.46Å; Y143-W146 PolarHBondContact O-N 2.93Å; W146-T148 VanDerWaalsContact C-N 3.29Å; W146-T148 PolarHBondContact O-N 3.35Å; W146-C149 VanDerWaalsContact O-CB 3.3Å; W146-C149 WeakPolarHBondContact O-CB 3.46Å; W146-C149 PolarHBondContact O-N 3.48Å; W146-N150 VanDerWaalsContact CE2-ND2 3.32Å; W146-N150 WeakPolarHBondContact CH2-ND2 3.48Å; W146-N150 WeakPolarHBondContact CZ2-ND2 3.38Å; W146-N150 VanDerWaalsContact CZ3-ND2 3.34Å; W146-N150 WeakPolarHBondContact CZ3-ND2 3.42Å; W146-N150 PolarHBondContact O-N 3.1Å; W146-F198 HydrophobicContact CB-CE1 4.2Å; W146-F198 HydrophobicContact CB-CZ 4.28Å
147A87Confident80.8Confident29 Ų2961.2 Ų61.224%0.2433%0.325CS..Hα-helixtrans-62.1-38.5175.700000111.6Y143 I145 N150 T151Y143-A147 VanDerWaalsContact O-CB 3.28Å; Y143-A147 WeakPolarHBondContact O-CB 3.38Å; Y143-A147 PolarHBondContact O-N 3.48Å; I145-A147 PolarHBondContact O-N 2.86Å; A147-N150 PolarHBondContact O-N 3.3Å; A147-T151 PolarHBondContact O-N 3.33Å; A147-T151 VanDerWaalsContact O-N 3.09Å; A147-T151 PolarHBondContact O-OG1 3.26Å
148T83.7Confident78.9Confident39 Ų3964.3 Ų64.324%0.23934%0.339CS..Hα-helixtrans-64.8-44.8173.6-53.10000110.8N144 I145 W146 N150 T151 M152 V167 L189N144-T148 WeakPolarHBondContact O-CB 3.49Å; N144-T148 PolarHBondContact O-N 3.05Å; N144-T148 PolarHBondContact O-OG1 3.11Å; I145-T148 WeakPolarHBondContact O-CB 3.31Å; I145-T148 PolarHBondContact O-N 3.18Å; W146-T148 VanDerWaalsContact C-N 3.29Å; W146-T148 PolarHBondContact O-N 3.35Å; T148-N150 VanDerWaalsContact C-N 3.34Å; T148-N150 PolarHBondContact O-N 3.3Å; T148-T151 WeakPolarHBondContact O-CB 3.28Å; T148-T151 PolarHBondContact O-N 3.02Å; T148-M152 HydrophobicContact CG2-SD 4.42Å; T148-M152 WeakPolarHBondContact O-CG 2.74Å; T148-M152 PolarHBondContact O-N 3.01Å; T148-V167 HydrophobicContact CG2-CG2 4.33Å; T148-L189 HydrophobicContact CG2-CD2 4.03Å
149C84.4Confident77.3Confident5 Ų570.4 Ų70.43%0.03437%0.369CS..Hα-helixtrans-55.4-45.6174.9-65.70000112.7I145 W146 T151 M152 K153 C193I145-C149 PolarHBondContact O-N 3.29Å; I145-C149 PolarHBondContact O-SG 3.13Å; W146-C149 VanDerWaalsContact O-CB 3.3Å; W146-C149 WeakPolarHBondContact O-CB 3.46Å; W146-C149 PolarHBondContact O-N 3.48Å; C149-T151 VanDerWaalsContact C-N 3.34Å; C149-M152 PolarHBondContact O-N 2.99Å; C149-K153 PolarHBondContact O-N 2.94Å; C149-K153 VanDerWaalsContact O-N 3.08Å; C149-C193 VanDerWaalsContact CA-SG 3.52Å; C149-C193 HydrophobicContact CB-CB 3.61Å; C149-C193 WeakPolarHBondContact CB-SG 3.35Å; C149-C193 WeakPolarHBondContact SG-CB 3.32Å; C149-C193 CovalentContact SG-SG 2.01Å; C149-C193 PolarHBondContact SG-SG 2.92Å
150N83.5Confident75.6Confident70 Ų7074 Ų7437%0.37439%0.391SS..Hα-helixtrans-67-36.6179.2-77.5-3000112.6W146 A147 T148 M152 K153 S154W146-N150 VanDerWaalsContact CE2-ND2 3.32Å; W146-N150 WeakPolarHBondContact CH2-ND2 3.48Å; W146-N150 WeakPolarHBondContact CZ2-ND2 3.38Å; W146-N150 VanDerWaalsContact CZ3-ND2 3.34Å; W146-N150 WeakPolarHBondContact CZ3-ND2 3.42Å; W146-N150 PolarHBondContact O-N 3.1Å; A147-N150 PolarHBondContact O-N 3.3Å; T148-N150 VanDerWaalsContact C-N 3.34Å; T148-N150 PolarHBondContact O-N 3.3Å; N150-M152 VanDerWaalsContact C-N 3.32Å; N150-K153 PolarHBondContact O-N 2.92Å; N150-S154 PolarHBondContact O-N 3.38Å
151T81Confident74Confident73 Ų7373.7 Ų73.745%0.44839%0.394SS..Hα-helixtrans-63.6-41176.4-55.60000110.6A147 T148 C149 S154 F165A147-T151 PolarHBondContact O-N 3.33Å; A147-T151 VanDerWaalsContact O-N 3.09Å; A147-T151 PolarHBondContact O-OG1 3.26Å; T148-T151 WeakPolarHBondContact O-CB 3.28Å; T148-T151 PolarHBondContact O-N 3.02Å; C149-T151 VanDerWaalsContact C-N 3.34Å; T151-S154 WeakPolarHBondContact O-CB 3.05Å; T151-S154 PolarHBondContact O-N 3.21Å; T151-S154 PolarHBondContact O-OG 2.98Å; T151-F165 HydrophobicContact CG2-CE1 4.33Å
152M74.3Confident72.7Confident21 Ų2175.7 Ų75.710%0.10341%0.405CS..Hα-helixtrans-68.3-33.4176.9-66.5176.795.300113.4T148 C149 N150 S154 L162 F165 L189T148-M152 HydrophobicContact CG2-SD 4.42Å; T148-M152 WeakPolarHBondContact O-CG 2.74Å; T148-M152 PolarHBondContact O-N 3.01Å; C149-M152 PolarHBondContact O-N 2.99Å; N150-M152 VanDerWaalsContact C-N 3.32Å; M152-S154 PolarHBondContact O-N 3.28Å; M152-L162 HydrophobicContact CE-CD1 4.01Å; M152-L162 HydrophobicContact CE-CG 4.15Å; M152-F165 HydrophobicContact CE-CB 3.47Å; M152-F165 VanDerWaalsContact CE-CB 3.47Å; M152-F165 HydrophobicContact CE-CD2 4.26Å; M152-F165 HydrophobicContact CE-CG 4.2Å; M152-F165 HydrophobicContact CG-CB 3.95Å; M152-F165 HydrophobicContact CG-CD1 4.44Å; M152-F165 HydrophobicContact CG-CD2 4.13Å; M152-F165 HydrophobicContact CG-CG 3.92Å; M152-F165 HydrophobicContact SD-CB 3.71Å; M152-F165 HydrophobicContact SD-CG 4.35Å; M152-L189 HydrophobicContact CE-CD2 4.29Å; M152-L189 HydrophobicContact SD-CD2 3.59Å; M152-L189 VanDerWaalsContact SD-CD2 3.59Å; M152-L189 HydrophobicContact SD-CG 4.09Å
153K72.7Confident71.5Confident124 Ų12480.9 Ų80.954%0.53943%0.433SS..THydrogen-bonded Turntrans-77.3-6176.4-73.3-177174.4-1750113.2C149 N150 D194C149-K153 PolarHBondContact O-N 2.94Å; C149-K153 VanDerWaalsContact O-N 3.08Å; N150-K153 PolarHBondContact O-N 2.92Å; K153-D194 IonicContact NZ-OD1 2.98Å; K153-D194 PolarHBondContact NZ-OD1 3.03Å
154S68.8Low70.4Confident30 Ų3079.1 Ų79.121%0.2144%0.438CS..SBendtrans-78.1137.8-178.177.50000112.4N150 T151 M152 M156 A157N150-S154 PolarHBondContact O-N 3.38Å; T151-S154 WeakPolarHBondContact O-CB 3.05Å; T151-S154 PolarHBondContact O-N 3.21Å; T151-S154 PolarHBondContact O-OG 2.98Å; M152-S154 PolarHBondContact O-N 3.28Å; S154-M156 PolarHBondContact O-N 2.87Å; S154-A157 PolarHBondContact O-N 3.37Å
155P57.3Low69.8Low135 Ų13579.9 Ų79.988%0.87744%0.439SS*.THydrogen-bonded Turntrans-67.4-2-177.817.7-21.7000114.6
156M54.8Low69.5Low165 Ų16581.7 Ų81.781%0.81345%0.453SS*.THydrogen-bonded Turntrans-90.4-18.1-178.5-51.8-173.9-7900112.4S154 N158S154-M156 PolarHBondContact O-N 2.87Å; M156-N158 VanDerWaalsContact C-N 3.34Å; M156-N158 PolarHBondContact O-N 2.9Å
157A55.2Low69.2Low32 Ų3278.4 Ų78.426%0.26444%0.442SS..SBendtrans-78.986.7172.800000108.8S154 I159S154-A157 PolarHBondContact O-N 3.37Å; A157-I159 PolarHBondContact O-N 3.32Å
158N50.9Low68.9Low144 Ų14478.3 Ų78.377%0.7744%0.437SS*.  trans-49.6116174.3-134.8-2000108.9M156 T160M156-N158 VanDerWaalsContact C-N 3.34Å; M156-N158 PolarHBondContact O-N 2.9Å; N158-T160 PolarHBondContact O-N 3.45Å; N158-T160 PolarHBondContact O-OG1 3.49Å
159I56.5Low68.6Low159 Ų15976.8 Ų76.882%0.81543%0.428SS*.THydrogen-bonded Turntrans-66.166.6-168.2-52.1167000110.9A157A157-I159 PolarHBondContact O-N 3.32Å
160T55.4Low68.2Low107 Ų10779 Ų7966%0.65644%0.435SS*.THydrogen-bonded Turntrans-130.2-20.4-178.748.40000112.6N158N158-T160 PolarHBondContact O-N 3.45Å; N158-T160 PolarHBondContact O-OG1 3.49Å
161N58.2Low67.9Low110 Ų11082.3 Ų82.359%0.58845%0.449SS*.  trans-139.558.4178.4-68.7-60.7000112.3D163 S164N161-D163 PolarHBondContact O-N 3.35Å; N161-S164 WeakPolarHBondContact O-CB 3.11Å; N161-S164 PolarHBondContact O-N 3Å; N161-S164 PolarHBondContact O-OG 3.4Å
162L62.7Low67.6Low66 Ų6683.1 Ų83.135%0.34644%0.444SS..G310 helixtrans-60-29.2175.6-159.373.9000112.1M152 S164 F165 G186 I190M152-L162 HydrophobicContact CE-CD1 4.01Å; M152-L162 HydrophobicContact CE-CG 4.15Å; L162-S164 PolarHBondContact O-N 2.87Å; L162-F165 PolarHBondContact O-N 3.39Å; L162-G186 VanDerWaalsContact O-CA 3.25Å; L162-G186 WeakPolarHBondContact O-CA 3.37Å; L162-I190 HydrophobicContact CD1-CD1 4.16Å; L162-I190 HydrophobicContact CD2-CD1 3.75Å; L162-I190 HydrophobicContact CG-CD1 4.36Å
163D62.3Low67.5Low124 Ų12485.3 Ų85.366%0.66347%0.472SS*.G310 helixtrans-74-9.2176.7-64.2-27.2000114.1N161 F165 C166N161-D163 PolarHBondContact O-N 3.35Å; D163-F165 VanDerWaalsContact C-N 3.31Å; D163-C166 PolarHBondContact O-SG 2.72Å
164S68.5Low67.4Low80 Ų8081.6 Ų81.656%0.55946%0.458SS*.G310 helixtrans-77.3-18.717667.80000113.3N161 L162N161-S164 WeakPolarHBondContact O-CB 3.11Å; N161-S164 PolarHBondContact O-N 3Å; N161-S164 PolarHBondContact O-OG 3.4Å; L162-S164 PolarHBondContact O-N 2.87Å
165F75.4Confident67.5Low66 Ų6680.5 Ų80.529%0.28945%0.449SS..  trans-96.6108.8176.3-62-79.5000109.3T151 M152 L162 D163 C185 G186T151-F165 HydrophobicContact CG2-CE1 4.33Å; M152-F165 HydrophobicContact CE-CB 3.47Å; M152-F165 VanDerWaalsContact CE-CB 3.47Å; M152-F165 HydrophobicContact CE-CD2 4.26Å; M152-F165 HydrophobicContact CE-CG 4.2Å; M152-F165 HydrophobicContact CG-CB 3.95Å; M152-F165 HydrophobicContact CG-CD1 4.44Å; M152-F165 HydrophobicContact CG-CD2 4.13Å; M152-F165 HydrophobicContact CG-CG 3.92Å; M152-F165 HydrophobicContact SD-CB 3.71Å; M152-F165 HydrophobicContact SD-CG 4.35Å; L162-F165 PolarHBondContact O-N 3.39Å; D163-F165 VanDerWaalsContact C-N 3.31Å; F165-C185 WeakPolarHBondContact O-CA 3.25Å; F165-G186 PolarHBondContact O-N 3.38Å
166C78.3Confident68.1Low55 Ų5577.1 Ų77.137%0.37243%0.427SS..EExtended strand (participates in β ladder)trans-131136.4179.9-65.60000110.1D163 A184 C185D163-C166 PolarHBondContact O-SG 2.72Å; C166-A184 CarbonylContact C-O 3.58Å; C166-A184 VanDerWaalsContact CA-O 3.32Å; C166-A184 WeakPolarHBondContact CA-O 3.47Å; C166-C185 HydrophobicContact CB-CB 4.08Å; C166-C185 WeakPolarHBondContact CB-SG 3.15Å; C166-C185 WeakPolarHBondContact SG-CB 3.45Å; C166-C185 CovalentContact SG-SG 2.02Å; C166-C185 PolarHBondContact SG-SG 3.42Å
167V81.9Confident68.6Low12 Ų1278 Ų787%0.07342%0.421CS..EExtended strand (participates in β ladder)trans-100.2121.1165.8172.90000107.8I145 T148 V169 K183 A184 L189I145-V167 HydrophobicContact CD1-CG1 4.18Å; I145-V167 HydrophobicContact CG1-CG1 3.81Å; I145-V167 HydrophobicContact CG1-CG2 4.38Å; T148-V167 HydrophobicContact CG2-CG2 4.33Å; V167-V169 HydrophobicContact CG1-CG1 4.29Å; V167-K183 CarbonylContact O-C 3.59Å; V167-K183 VanDerWaalsContact O-CA 3.3Å; V167-K183 WeakPolarHBondContact O-CA 3.27Å; V167-A184 PolarHBondContact N-O 3.49Å; V167-A184 PolarHBondContact O-N 2.9Å; V167-L189 HydrophobicContact CB-CD1 4.18Å; V167-L189 HydrophobicContact CG2-CD1 3.81Å; V167-L189 HydrophobicContact CG2-CD2 3.91Å
168D81.1Confident69.2Low28 Ų2882.9 Ų82.915%0.1544%0.443CS..EExtended strand (participates in β ladder)trans-103.9106.4174.1-165-24.2000110R170 Q171 K183D168-R170 PolarHBondContact O-N 3.12Å; D168-R170 WeakPolarHBondContact OD1-CB 3.31Å; D168-R170 WeakPolarHBondContact OD1-CG 3.25Å; D168-R170 IonicContact OD1-CZ 3.74Å; D168-R170 PolarHBondContact OD1-N 2.85Å; D168-R170 IonicContact OD1-NE 2.87Å; D168-R170 PolarHBondContact OD1-NE 3.37Å; D168-R170 IonicContact OD1-NH2 3.73Å; D168-R170 IonicContact OD2-CZ 3.43Å; D168-R170 IonicContact OD2-NE 3.34Å; D168-R170 PolarHBondContact OD2-NE 3.26Å; D168-R170 IonicContact OD2-NH2 2.7Å; D168-R170 PolarHBondContact OD2-NH2 3.33Å; D168-Q171 HydrophobicContact CB-CG 4.11Å; D168-K183 HydrophobicContact CB-CB 4.28Å
169V76.9Confident69.9Low7 Ų776.1 Ų76.14%0.04241%0.408CS..G310 helixtrans-75.1-12.8-178.6-72.50000112.9F51 V167 Q171 Y172 I175 G182F51-V169 HydrophobicContact CB-CG2 4.3Å; F51-V169 HydrophobicContact CD1-CB 4.41Å; F51-V169 HydrophobicContact CD1-CG1 4.07Å; F51-V169 HydrophobicContact CD1-CG2 3.41Å; F51-V169 VanDerWaalsContact CD1-CG2 3.41Å; F51-V169 HydrophobicContact CE1-CB 4.46Å; F51-V169 HydrophobicContact CE1-CG1 3.73Å; F51-V169 HydrophobicContact CE1-CG2 3.87Å; F51-V169 HydrophobicContact CE2-CG1 4.45Å; F51-V169 HydrophobicContact CG-CG2 3.96Å; F51-V169 HydrophobicContact CZ-CG1 3.95Å; V167-V169 HydrophobicContact CG1-CG1 4.29Å; V169-Q171 VanDerWaalsContact C-N 3.31Å; V169-Y172 PolarHBondContact O-N 3.12Å; V169-I175 HydrophobicContact CB-CD1 4.47Å; V169-I175 HydrophobicContact CG2-CD1 3.47Å; V169-I175 VanDerWaalsContact CG2-CD1 3.47Å; V169-I175 HydrophobicContact CG2-CG1 4.26Å; V169-G182 VanDerWaalsContact CG2-O 3.25Å; V169-G182 WeakPolarHBondContact CG2-O 3.24Å
170R76.4Confident70.6Confident51 Ų5173 Ų7319%0.19240%0.396CS..G310 helixtrans-71.8-28.1177.9-56.2170.7-65171.53.1111.9D168 Y172 G173 W177D168-R170 PolarHBondContact O-N 3.12Å; D168-R170 WeakPolarHBondContact OD1-CB 3.31Å; D168-R170 WeakPolarHBondContact OD1-CG 3.25Å; D168-R170 IonicContact OD1-CZ 3.74Å; D168-R170 PolarHBondContact OD1-N 2.85Å; D168-R170 IonicContact OD1-NE 2.87Å; D168-R170 PolarHBondContact OD1-NE 3.37Å; D168-R170 IonicContact OD1-NH2 3.73Å; D168-R170 IonicContact OD2-CZ 3.43Å; D168-R170 IonicContact OD2-NE 3.34Å; D168-R170 PolarHBondContact OD2-NE 3.26Å; D168-R170 IonicContact OD2-NH2 2.7Å; D168-R170 PolarHBondContact OD2-NH2 3.33Å; R170-Y172 PolarHBondContact O-N 3.13Å; R170-G173 PolarHBondContact O-N 3.16Å; R170-W177 PolarHBondContact NH1-O 3.5Å
171Q78.3Confident71.1Confident140 Ų14071.1 Ų71.165%0.65439%0.386SS*.G310 helixtrans-62.1-23.7176.4-63.8-175.1-60.300112.6D168 V169D168-Q171 HydrophobicContact CB-CG 4.11Å; V169-Q171 VanDerWaalsContact C-N 3.31Å
172Y74.8Confident71.6Confident90 Ų9065.9 Ų65.935%0.35336%0.358SS..G310 helixtrans-94.24.3179.6-57.7-68.6000113.2L141 V169 R170 I174L141-Y172 HydrophobicContact CD2-CD1 2.96Å; L141-Y172 HydrophobicContact CD2-CD2 3.72Å; L141-Y172 HydrophobicContact CD2-CE1 3.28Å; L141-Y172 HydrophobicContact CD2-CE2 4.02Å; L141-Y172 HydrophobicContact CD2-CG 3.17Å; L141-Y172 HydrophobicContact CG-CD1 4.44Å; V169-Y172 PolarHBondContact O-N 3.12Å; R170-Y172 PolarHBondContact O-N 3.13Å; Y172-I174 PolarHBondContact O-N 3.46Å
173G70.8Confident72.4Confident66 Ų6667.9 Ų67.968%0.6836%0.364SS*.THydrogen-bonded Turntrans71.712.217700000114.8R170R170-G173 PolarHBondContact O-N 3.16Å
174I71.3Confident73.2Confident47 Ų4762 Ų6224%0.24133%0.332CS..SBendtrans-74.3-36.1-177.9-56.7169.7000110.8L47 L61 L141 Y172L47-I174 HydrophobicContact CD1-CG2 4.43Å; L47-I174 HydrophobicContact CD2-CG2 4.27Å; L61-I174 HydrophobicContact CD1-CG2 4.21Å; L61-I174 HydrophobicContact CD2-CG2 3.53Å; L61-I174 WeakPolarHBondContact CD2-O 3.41Å; L141-I174 HydrophobicContact CD1-CD1 3.85Å; Y172-I174 PolarHBondContact O-N 3.46Å
175I71.2Confident73.8Confident6 Ų659.4 Ų59.43%0.03131%0.314CS..SBendtrans-130.6141-176-46176.9000109.3L47 F51 V169 A179L47-I175 HydrophobicContact CD1-CD1 3.73Å; L47-I175 HydrophobicContact CD1-CG1 4.22Å; L47-I175 HydrophobicContact CD2-CD1 4.49Å; L47-I175 HydrophobicContact CD2-CG1 4.37Å; L47-I175 HydrophobicContact CG-CD1 4.16Å; F51-I175 HydrophobicContact CB-CD1 4.02Å; V169-I175 HydrophobicContact CB-CD1 4.47Å; V169-I175 HydrophobicContact CG2-CD1 3.47Å; V169-I175 VanDerWaalsContact CG2-CD1 3.47Å; V169-I175 HydrophobicContact CG2-CG1 4.26Å; I175-A179 HydrophobicContact CB-CB 4.41Å; I175-A179 HydrophobicContact CG2-CB 3.13Å
176P68.9Low74Confident64 Ų6456.2 Ų56.242%0.41630%0.3SS..  trans-56149.4172.722.7-35.1000112.7D57 N178 A179D57-P176 HydrophobicContact CB-CG 4.47Å; P176-N178 PolarHBondContact O-N 3.46Å; P176-A179 WeakPolarHBondContact O-CB 3.11Å; P176-A179 PolarHBondContact O-N 2.91Å
177W66.8Low73.9Confident183 Ų18357.6 Ų57.669%0.69331%0.31SS*.THydrogen-bonded Turntrans-57-21.3178.8-73.589.4000114.1R170 A179R170-W177 PolarHBondContact NH1-O 3.5Å; W177-A179 VanDerWaalsContact C-N 3.32Å
178N67.5Low73.7Confident135 Ų13559.4 Ų59.472%0.72232%0.323SS*.THydrogen-bonded Turntrans-81.2-6.6-179.4-154.837.9000114.1P176P176-N178 PolarHBondContact O-N 3.46Å
179A65.8Low73.6Confident3 Ų358 Ų583%0.02532%0.316CS..  trans-74.7134.2-17800000112.6D57 I175 P176 W177 G182D57-A179 HydrophobicContact CB-CB 4.05Å; I175-A179 HydrophobicContact CB-CB 4.41Å; I175-A179 HydrophobicContact CG2-CB 3.13Å; P176-A179 WeakPolarHBondContact O-CB 3.11Å; P176-A179 PolarHBondContact O-N 2.91Å; W177-A179 VanDerWaalsContact C-N 3.32Å; A179-G182 PolarHBondContact O-N 3.49Å
180T70Confident73.7Confident94 Ų9461 Ų6158%0.57733%0.331SS*.SBendtrans-115.5126.9176.754.20000109.9
181P65.6Low74.1Confident67 Ų6762.1 Ų62.144%0.43534%0.343SS..BIsolated β-bridgecis-80.2-21.76.628.8-34.7000116.1F51 K183F51-P181 WeakPolarHBondContact O-CD 3.37Å; P181-K183 PolarHBondContact O-N 3.29Å
182G68.8Low74.4Confident0 Ų055.5 Ų55.50%031%0.312CS..  trans66-18.5173.100000116.9F51 V169 A179F51-G182 PolarHBondContact O-N 3.45Å; V169-G182 VanDerWaalsContact CG2-O 3.25Å; V169-G182 WeakPolarHBondContact CG2-O 3.24Å; A179-G182 PolarHBondContact O-N 3.49Å
183K80Confident74.8Confident108 Ų10852.2 Ų52.247%0.4730%0.302SS..EExtended strand (participates in β ladder)trans-134.4142.4173.765.2-179-176.7172.30109.5V167 D168 P181V167-K183 CarbonylContact O-C 3.59Å; V167-K183 VanDerWaalsContact O-CA 3.3Å; V167-K183 WeakPolarHBondContact O-CA 3.27Å; D168-K183 HydrophobicContact CB-CB 4.28Å; P181-K183 PolarHBondContact O-N 3.29Å
184A79.7Confident75.5Confident1 Ų154.7 Ų54.71%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-109.4124.5172.600000109F51 C166 V167 L189F51-A184 HydrophobicContact CD1-CB 4.24Å; F51-A184 HydrophobicContact CE1-CB 3.39Å; F51-A184 HydrophobicContact CZ-CB 3.55Å; C166-A184 CarbonylContact C-O 3.58Å; C166-A184 VanDerWaalsContact CA-O 3.32Å; C166-A184 WeakPolarHBondContact CA-O 3.47Å; V167-A184 PolarHBondContact N-O 3.49Å; V167-A184 PolarHBondContact O-N 2.9Å; A184-L189 HydrophobicContact CB-CD1 4.33Å
185C80.8Confident76.3Confident24 Ų2453.7 Ų53.716%0.16230%0.297CS..EExtended strand (participates in β ladder)trans-128148.6-175.8-59.30000111.1F165 C166 S187 S188F165-C185 WeakPolarHBondContact O-CA 3.25Å; C166-C185 HydrophobicContact CB-CB 4.08Å; C166-C185 WeakPolarHBondContact CB-SG 3.15Å; C166-C185 WeakPolarHBondContact SG-CB 3.45Å; C166-C185 CovalentContact SG-SG 2.02Å; C166-C185 PolarHBondContact SG-SG 3.42Å; C185-S187 PolarHBondContact O-N 3.14Å; C185-S188 PolarHBondContact N-OG 2.94Å; C185-S188 PolarHBondContact O-N 3.48Å; C185-S188 VanDerWaalsContact O-N 3.15Å; C185-S188 PolarHBondContact O-OG 2.83Å
186G79.4Confident77Confident0 Ų057.6 Ų57.60%033%0.325CS..Hα-helixtrans53-118.5168.700000114.2L162 F165 S188 L189 I190L162-G186 VanDerWaalsContact O-CA 3.25Å; L162-G186 WeakPolarHBondContact O-CA 3.37Å; F165-G186 PolarHBondContact O-N 3.38Å; G186-S188 VanDerWaalsContact C-N 3.34Å; G186-S188 PolarHBondContact O-N 2.88Å; G186-L189 WeakPolarHBondContact O-CB 3.35Å; G186-L189 PolarHBondContact O-N 3.42Å; G186-L189 VanDerWaalsContact O-N 3.11Å; G186-I190 WeakPolarHBondContact O-CG1 3.2Å; G186-I190 PolarHBondContact O-N 2.87Å
187S75.4Confident77.8Confident84 Ų8458.6 Ų58.659%0.58732%0.324SS*.Hα-helixtrans-60.9-37.2-17855.30000113.9C185 L189 I190 T191C185-S187 PolarHBondContact O-N 3.14Å; S187-L189 VanDerWaalsContact C-N 3.3Å; S187-L189 PolarHBondContact O-N 2.91Å; S187-I190 PolarHBondContact O-N 3.02Å; S187-T191 PolarHBondContact O-N 3.38Å
188S77.8Confident78.8Confident49 Ų4950.1 Ų50.134%0.34329%0.292SS..Hα-helixtrans-69.1-28.6175.564.60000112.9C185 G186 T191 V192C185-S188 PolarHBondContact N-OG 2.94Å; C185-S188 PolarHBondContact O-N 3.48Å; C185-S188 VanDerWaalsContact O-N 3.15Å; C185-S188 PolarHBondContact O-OG 2.83Å; G186-S188 VanDerWaalsContact C-N 3.34Å; G186-S188 PolarHBondContact O-N 2.88Å; S188-T191 PolarHBondContact O-OG1 3.46Å; S188-V192 WeakPolarHBondContact O-CG2 3.45Å; S188-V192 PolarHBondContact O-N 2.89Å
189L80.1Confident79.8Confident0 Ų050.2 Ų50.20%028%0.283CS..Hα-helixtrans-76.4-38.1174.9-172.456.2000110.5T148 M152 V167 A184 G186 S187 T191 V192 C193T148-L189 HydrophobicContact CG2-CD2 4.03Å; M152-L189 HydrophobicContact CE-CD2 4.29Å; M152-L189 HydrophobicContact SD-CD2 3.59Å; M152-L189 VanDerWaalsContact SD-CD2 3.59Å; M152-L189 HydrophobicContact SD-CG 4.09Å; V167-L189 HydrophobicContact CB-CD1 4.18Å; V167-L189 HydrophobicContact CG2-CD1 3.81Å; V167-L189 HydrophobicContact CG2-CD2 3.91Å; A184-L189 HydrophobicContact CB-CD1 4.33Å; G186-L189 WeakPolarHBondContact O-CB 3.35Å; G186-L189 PolarHBondContact O-N 3.42Å; G186-L189 VanDerWaalsContact O-N 3.11Å; S187-L189 VanDerWaalsContact C-N 3.3Å; S187-L189 PolarHBondContact O-N 2.91Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 2.91Å; L189-V192 WeakPolarHBondContact O-CB 3.38Å; L189-V192 PolarHBondContact O-N 2.7Å; L189-C193 WeakPolarHBondContact O-CB 3.2Å; L189-C193 PolarHBondContact O-N 3.34Å; L189-C193 PolarHBondContact O-SG 3.48Å
190I79.7Confident81Confident69 Ų6954.2 Ų54.235%0.35430%0.304SS..Hα-helixtrans-59.8-42.3174.9-67.9173.3000111.5L162 G186 S187 V192 C193 D194L162-I190 HydrophobicContact CD1-CD1 4.16Å; L162-I190 HydrophobicContact CD2-CD1 3.75Å; L162-I190 HydrophobicContact CG-CD1 4.36Å; G186-I190 WeakPolarHBondContact O-CG1 3.2Å; G186-I190 PolarHBondContact O-N 2.87Å; S187-I190 PolarHBondContact O-N 3.02Å; I190-V192 VanDerWaalsContact C-N 3.31Å; I190-V192 PolarHBondContact O-N 2.76Å; I190-C193 WeakPolarHBondContact O-CB 3.25Å; I190-C193 PolarHBondContact O-N 3.47Å; I190-D194 PolarHBondContact O-N 3.3Å
191T83.5Confident82Confident75 Ų7550 Ų5046%0.4628%0.278SS..Hα-helixtrans-65.2-34.7177.952.70000112.4S187 S188 L189 S195S187-T191 PolarHBondContact O-N 3.38Å; S188-T191 PolarHBondContact O-OG1 3.46Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 2.91Å; T191-S195 PolarHBondContact O-N 3.27Å
192V84.4Confident83.2Confident1 Ų148 Ų481%0.00626%0.262CS..Hα-helixtrans-65.4-45.6170.6175.30000110.7F50 F51 S188 L189 I190 D194 S195 F198F50-V192 HydrophobicContact CB-CG2 3.69Å; F50-V192 HydrophobicContact CD1-CG2 3.57Å; F50-V192 HydrophobicContact CD2-CG2 3.81Å; F50-V192 HydrophobicContact CE1-CG2 4.1Å; F50-V192 HydrophobicContact CE2-CG2 4.31Å; F50-V192 HydrophobicContact CG-CG2 3.41Å; F50-V192 VanDerWaalsContact CG-CG2 3.41Å; F50-V192 HydrophobicContact CZ-CG2 4.44Å; F51-V192 HydrophobicContact CE2-CG2 4.48Å; S188-V192 WeakPolarHBondContact O-CG2 3.45Å; S188-V192 PolarHBondContact O-N 2.89Å; L189-V192 WeakPolarHBondContact O-CB 3.38Å; L189-V192 PolarHBondContact O-N 2.7Å; I190-V192 VanDerWaalsContact C-N 3.31Å; I190-V192 PolarHBondContact O-N 2.76Å; V192-D194 VanDerWaalsContact C-N 3.26Å; V192-D194 PolarHBondContact O-N 3.05Å; V192-S195 WeakPolarHBondContact O-CB 3.25Å; V192-S195 PolarHBondContact O-N 3.38Å; V192-F198 HydrophobicContact CG1-CD2 4.11Å; V192-F198 HydrophobicContact CG1-CG 4.3Å; V192-F198 WeakPolarHBondContact O-CB 3.44Å
193C84.1Confident84.4Confident20 Ų2051.4 Ų51.414%0.13528%0.278CS..Hα-helixtrans-64.6-26.9-179.6-61.70000113.9C149 L189 I190C149-C193 VanDerWaalsContact CA-SG 3.52Å; C149-C193 HydrophobicContact CB-CB 3.61Å; C149-C193 WeakPolarHBondContact CB-SG 3.35Å; C149-C193 WeakPolarHBondContact SG-CB 3.32Å; C149-C193 CovalentContact SG-SG 2.01Å; C149-C193 PolarHBondContact SG-SG 2.92Å; L189-C193 WeakPolarHBondContact O-CB 3.2Å; L189-C193 PolarHBondContact O-N 3.34Å; L189-C193 PolarHBondContact O-SG 3.48Å; I190-C193 WeakPolarHBondContact O-CB 3.25Å; I190-C193 PolarHBondContact O-N 3.47Å
194D85.8Confident85.1Confident119 Ų11947.5 Ų47.564%0.63626%0.262SS*.Hα-helixtrans-93.7-6.6178.2-133.548.6000113K153 I190 V192 S196K153-D194 IonicContact NZ-OD1 2.98Å; K153-D194 PolarHBondContact NZ-OD1 3.03Å; I190-D194 PolarHBondContact O-N 3.3Å; V192-D194 VanDerWaalsContact C-N 3.26Å; V192-D194 PolarHBondContact O-N 3.05Å; D194-S196 PolarHBondContact O-N 3.43Å
195S87.5Confident85.9Confident26 Ų2648.4 Ų48.418%0.18227%0.265CS..  trans-70128.6177.7-176.50000111.5T191 V192 E197 F198 Y199T191-S195 PolarHBondContact O-N 3.27Å; V192-S195 WeakPolarHBondContact O-CB 3.25Å; V192-S195 PolarHBondContact O-N 3.38Å; S195-E197 PolarHBondContact O-N 3.21Å; S195-E197 PolarHBondContact OG-N 3.46Å; S195-F198 PolarHBondContact O-N 2.95Å; S195-Y199 PolarHBondContact O-N 3.49Å
196S86.4Confident86.6Confident87 Ų8750.2 Ų50.261%0.60827%0.273SS*.Hα-helixtrans-61.7-31.4172.552.60000112.4D194 Y199 L200D194-S196 PolarHBondContact O-N 3.43Å; S196-Y199 PolarHBondContact O-N 3.13Å; S196-L200 VanDerWaalsContact O-CB 3.25Å; S196-L200 WeakPolarHBondContact O-CB 3.37Å; S196-L200 PolarHBondContact O-N 2.97Å
197E85.8Confident87.4Confident86 Ų8652.9 Ų52.940%0.40229%0.289SS..Hα-helixtrans-65-40.4179.1-63.5-59130.600111.7I46 S195 S201I46-E197 HydrophobicContact CG1-CB 4.45Å; S195-E197 PolarHBondContact O-N 3.21Å; S195-E197 PolarHBondContact OG-N 3.46Å; E197-S201 VanDerWaalsContact O-CB 3.24Å; E197-S201 WeakPolarHBondContact O-CB 3.35Å; E197-S201 PolarHBondContact O-N 3.34Å; E197-S201 PolarHBondContact O-OG 3.45Å
198F87.7Confident88.4Confident4 Ų449.1 Ų49.12%0.01826%0.262CS..Hα-helixtrans-66.2-47.4176.5175.8-96.7000111.3I46 F142 I145 W146 V192 S195 L200 S201 Y202I46-F198 HydrophobicContact CD1-CB 4.04Å; I46-F198 HydrophobicContact CD1-CD2 4.28Å; F142-F198 AromaticContact CD1-CD2 3.73Å; F142-F198 HydrophobicContact CD1-CD2 3.73Å; F142-F198 AromaticContact CD1-CE2 3.31Å; F142-F198 HydrophobicContact CD1-CE2 3.31Å; F142-F198 AromaticContact CD1-CZ 3.98Å; F142-F198 HydrophobicContact CD1-CZ 3.98Å; F142-F198 AromaticContact CE1-CD2 3.69Å; F142-F198 HydrophobicContact CE1-CD2 3.69Å; F142-F198 AromaticContact CE1-CE2 3.72Å; F142-F198 HydrophobicContact CE1-CE2 3.72Å; F142-F198 HydrophobicContact CG-CE2 4.27Å; I145-F198 HydrophobicContact CB-CE2 3.93Å; I145-F198 HydrophobicContact CB-CZ 3.74Å; I145-F198 HydrophobicContact CD1-CE2 4.31Å; I145-F198 HydrophobicContact CG2-CE1 4.38Å; I145-F198 HydrophobicContact CG2-CE2 3.55Å; I145-F198 HydrophobicContact CG2-CZ 3.47Å; I145-F198 VanDerWaalsContact CG2-CZ 3.47Å; W146-F198 HydrophobicContact CB-CE1 4.2Å; W146-F198 HydrophobicContact CB-CZ 4.28Å; V192-F198 HydrophobicContact CG1-CD2 4.11Å; V192-F198 HydrophobicContact CG1-CG 4.3Å; V192-F198 WeakPolarHBondContact O-CB 3.44Å; S195-F198 PolarHBondContact O-N 2.95Å; F198-L200 PolarHBondContact O-N 3.02Å; F198-S201 PolarHBondContact O-N 3.45Å; F198-Y202 WeakPolarHBondContact O-CB 3.49Å; F198-Y202 PolarHBondContact O-N 3.03Å
199Y88.4Confident89.3Confident137 Ų13747.8 Ų47.854%0.53725%0.253SS..Hα-helixtrans-61.9-43.7179.2-173.4-97.6000111.9S195 S196 H203S195-Y199 PolarHBondContact O-N 3.49Å; S196-Y199 PolarHBondContact O-N 3.13Å; Y199-H203 AromaticContact CD1-CD2 3.89Å; Y199-H203 AromaticContact CE1-CD2 3.5Å; Y199-H203 AromaticContact CE1-NE2 3.56Å; Y199-H203 AromaticContact CE2-NE2 3.56Å; Y199-H203 AromaticContact CZ-CD2 3.58Å; Y199-H203 AromaticContact CZ-NE2 3.13Å; Y199-H203 PolarHBondContact O-CD2 2.73Å; Y199-H203 VanDerWaalsContact O-CD2 3.28Å; Y199-H203 PolarHBondContact O-N 2.82Å; Y199-H203 PolarHBondContact OH-NE2 2.98Å; Y199-H203 VanDerWaalsContact OH-NE2 3.09Å
200L91Very high90.1Very high88 Ų8850.7 Ų50.746%0.46128%0.277SS..Hα-helixtrans-61.9-53.4176.1-175.861.1000110.5S196 F198 Y202 H203 L204S196-L200 VanDerWaalsContact O-CB 3.25Å; S196-L200 WeakPolarHBondContact O-CB 3.37Å; S196-L200 PolarHBondContact O-N 2.97Å; F198-L200 PolarHBondContact O-N 3.02Å; L200-Y202 VanDerWaalsContact C-N 3.3Å; L200-Y202 PolarHBondContact O-N 3.3Å; L200-H203 PolarHBondContact O-N 3.38Å; L200-H203 VanDerWaalsContact O-N 3.14Å; L200-L204 HydrophobicContact CD1-CD1 3.35Å; L200-L204 HydrophobicContact CG-CD1 3.59Å; L200-L204 WeakPolarHBondContact O-CD1 3.21Å; L200-L204 PolarHBondContact O-N 3.24Å
201S91.4Very high90.9Very high4 Ų447.4 Ų47.43%0.02826%0.26CS..Hα-helixtrans-56.7-41.3-178.8-60.90000112.7E197 F198 L204 Y205E197-S201 VanDerWaalsContact O-CB 3.24Å; E197-S201 WeakPolarHBondContact O-CB 3.35Å; E197-S201 PolarHBondContact O-N 3.34Å; E197-S201 PolarHBondContact O-OG 3.45Å; F198-S201 PolarHBondContact O-N 3.45Å; S201-L204 PolarHBondContact O-N 3.31Å; S201-Y205 WeakPolarHBondContact O-CD2 3.17Å; S201-Y205 PolarHBondContact O-N 3.48Å
202Y90.5Very high91.5Very high25 Ų2543.9 Ų43.910%0.09824%0.238CC..Hα-helixtrans-57.8-49.9175.9170.8-119.2000112.4F142 F198 L200 L204 Y205 I206F142-Y202 HydrophobicContact CB-CD2 3.62Å; F142-Y202 HydrophobicContact CB-CE2 4.43Å; F142-Y202 HydrophobicContact CB-CG 4.42Å; F198-Y202 WeakPolarHBondContact O-CB 3.49Å; F198-Y202 PolarHBondContact O-N 3.03Å; L200-Y202 VanDerWaalsContact C-N 3.3Å; L200-Y202 PolarHBondContact O-N 3.3Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; Y202-L204 PolarHBondContact O-N 3.22Å; Y202-Y205 PolarHBondContact O-N 2.97Å; Y202-I206 HydrophobicContact CD1-CD1 4.28Å; Y202-I206 HydrophobicContact CD2-CD1 4.28Å; Y202-I206 HydrophobicContact CE1-CD1 3.78Å; Y202-I206 HydrophobicContact CE2-CD1 3.81Å; Y202-I206 HydrophobicContact CE2-CG1 4.35Å; Y202-I206 PolarHBondContact O-N 2.67Å
203H94Very high92.1Very high73 Ų7344.5 Ų44.534%0.33825%0.245SC..Hα-helixtrans-65.4-38.1178.1-79.9-69.2000112.2Y199 L200 Y205 I206 V207Y199-H203 AromaticContact CD1-CD2 3.89Å; Y199-H203 AromaticContact CE1-CD2 3.5Å; Y199-H203 AromaticContact CE1-NE2 3.56Å; Y199-H203 AromaticContact CE2-NE2 3.56Å; Y199-H203 AromaticContact CZ-CD2 3.58Å; Y199-H203 AromaticContact CZ-NE2 3.13Å; Y199-H203 PolarHBondContact O-CD2 2.73Å; Y199-H203 VanDerWaalsContact O-CD2 3.28Å; Y199-H203 PolarHBondContact O-N 2.82Å; Y199-H203 PolarHBondContact OH-NE2 2.98Å; Y199-H203 VanDerWaalsContact OH-NE2 3.09Å; L200-H203 PolarHBondContact O-N 3.38Å; L200-H203 VanDerWaalsContact O-N 3.14Å; H203-Y205 VanDerWaalsContact C-N 3.34Å; H203-Y205 PolarHBondContact O-N 2.94Å; H203-I206 PolarHBondContact O-N 3.06Å; H203-V207 WeakPolarHBondContact O-CG2 3.37Å; H203-V207 PolarHBondContact O-N 3.16Å
204L94.7Very high92.7Very high26 Ų2644.5 Ų44.514%0.13625%0.247CC..Hα-helixtrans-64.5-36.9176.5-85.981.4000112.4C35 V38 A39 L200 S201 Y202 V207 A208C35-L204 HydrophobicContact CB-CB 4.15Å; C35-L204 HydrophobicContact CB-CD2 4.38Å; C35-L204 HydrophobicContact CB-CG 4.21Å; C35-L204 WeakPolarHBondContact CB-O 3.43Å; V38-L204 HydrophobicContact CB-CD2 3.46Å; V38-L204 VanDerWaalsContact CB-CD2 3.46Å; V38-L204 HydrophobicContact CG1-CD2 3.48Å; V38-L204 VanDerWaalsContact CG1-CD2 3.48Å; V38-L204 HydrophobicContact CG2-CD2 4.5Å; A39-L204 HydrophobicContact CB-CB 3.89Å; L200-L204 HydrophobicContact CD1-CD1 3.35Å; L200-L204 HydrophobicContact CG-CD1 3.59Å; L200-L204 WeakPolarHBondContact O-CD1 3.21Å; L200-L204 PolarHBondContact O-N 3.24Å; S201-L204 PolarHBondContact O-N 3.31Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; Y202-L204 PolarHBondContact O-N 3.22Å; L204-V207 PolarHBondContact O-N 3.21Å; L204-A208 VanDerWaalsContact O-CB 3.27Å; L204-A208 WeakPolarHBondContact O-CB 3.43Å; L204-A208 PolarHBondContact O-N 3.35Å
205Y94.9Very high93.2Very high20 Ų2038.9 Ų38.98%0.07822%0.217CC..Hα-helixtrans-64.4-39.1174.1-83.9-61.2000112.4A39 T43 P138 V139 F142 S201 Y202 H203 A208 C209A39-Y205 HydrophobicContact CB-CD1 3.99Å; A39-Y205 HydrophobicContact CB-CD2 3.88Å; A39-Y205 HydrophobicContact CB-CE1 3.84Å; A39-Y205 HydrophobicContact CB-CE2 3.72Å; A39-Y205 HydrophobicContact CB-CG 4Å; A39-Y205 PolarHBondContact O-OH 3.09Å; T43-Y205 WeakPolarHBondContact OG1-CE2 3.43Å; T43-Y205 PolarHBondContact OG1-OH 2.89Å; P138-Y205 HydrophobicContact CB-CD1 3.7Å; P138-Y205 HydrophobicContact CB-CD2 4.49Å; P138-Y205 HydrophobicContact CB-CE1 3.59Å; P138-Y205 HydrophobicContact CB-CE2 4.41Å; P138-Y205 HydrophobicContact CB-CG 4.17Å; P138-Y205 HydrophobicContact CG-CD1 3.79Å; P138-Y205 HydrophobicContact CG-CE1 3.83Å; V139-Y205 WeakPolarHBondContact CG2-O 3.35Å; F142-Y205 AromaticContact CD2-CD2 3.81Å; F142-Y205 HydrophobicContact CD2-CD2 3.81Å; F142-Y205 AromaticContact CD2-CE2 3.9Å; F142-Y205 HydrophobicContact CD2-CE2 3.9Å; F142-Y205 AromaticContact CE2-CD2 3.73Å; F142-Y205 HydrophobicContact CE2-CD2 3.73Å; F142-Y205 AromaticContact CE2-CE2 3.33Å; F142-Y205 HydrophobicContact CE2-CE2 3.33Å; F142-Y205 HydrophobicContact CG-CD2 4.37Å; F142-Y205 HydrophobicContact CZ-CD2 4.22Å; F142-Y205 AromaticContact CZ-CE2 3.76Å; F142-Y205 HydrophobicContact CZ-CE2 3.76Å; S201-Y205 WeakPolarHBondContact O-CD2 3.17Å; S201-Y205 PolarHBondContact O-N 3.48Å; Y202-Y205 PolarHBondContact O-N 2.97Å; H203-Y205 VanDerWaalsContact C-N 3.34Å; H203-Y205 PolarHBondContact O-N 2.94Å; Y205-A208 PolarHBondContact O-N 3.4Å; Y205-C209 WeakPolarHBondContact O-CB 3.25Å; Y205-C209 PolarHBondContact O-N 3.36Å
206I95.8Very high93.6Very high62 Ų6238.3 Ų38.332%0.31821%0.212SC..Hα-helixtrans-62.3-48.5174.7-65.2168.4000110.4V139 Y202 H203 A208 C209 A210V139-I206 HydrophobicContact CG1-CG1 4.14Å; Y202-I206 HydrophobicContact CD1-CD1 4.28Å; Y202-I206 HydrophobicContact CD2-CD1 4.28Å; Y202-I206 HydrophobicContact CE1-CD1 3.78Å; Y202-I206 HydrophobicContact CE2-CD1 3.81Å; Y202-I206 HydrophobicContact CE2-CG1 4.35Å; Y202-I206 PolarHBondContact O-N 2.67Å; H203-I206 PolarHBondContact O-N 3.06Å; I206-A208 VanDerWaalsContact C-N 3.32Å; I206-A208 PolarHBondContact O-N 3.5Å; I206-C209 PolarHBondContact O-N 2.92Å; I206-A210 WeakPolarHBondContact O-CB 3.34Å; I206-A210 PolarHBondContact O-N 3.2Å
207V96.7Very high94.1Very high56 Ų5638.6 Ų38.634%0.33921%0.206SC..Hα-helixtrans-64.6-38.5179.9176.70000111.1L31 C35 H203 L204 A210 G211L31-V207 HydrophobicContact CB-CG1 4.34Å; L31-V207 HydrophobicContact CD2-CG1 3.81Å; L31-V207 HydrophobicContact CG-CG1 4.44Å; C35-V207 HydrophobicContact CB-CB 4.47Å; C35-V207 HydrophobicContact CB-CG1 4.41Å; C35-V207 VanDerWaalsContact SG-CG1 3.54Å; H203-V207 WeakPolarHBondContact O-CG2 3.37Å; H203-V207 PolarHBondContact O-N 3.16Å; L204-V207 PolarHBondContact O-N 3.21Å; V207-A210 PolarHBondContact O-N 3.36Å; V207-G211 PolarHBondContact O-N 3.35Å
208A96Very high94.6Very high4 Ų434.5 Ų34.53%0.03319%0.187CC..Hα-helixtrans-62.2-47.1174.700000111.3F32 C35 L204 Y205 I206 A210 G211 A212F32-A208 HydrophobicContact CD2-CB 4.38Å; F32-A208 WeakPolarHBondContact CD2-O 3.34Å; C35-A208 HydrophobicContact CB-CB 4.07Å; L204-A208 VanDerWaalsContact O-CB 3.27Å; L204-A208 WeakPolarHBondContact O-CB 3.43Å; L204-A208 PolarHBondContact O-N 3.35Å; Y205-A208 PolarHBondContact O-N 3.4Å; I206-A208 VanDerWaalsContact C-N 3.32Å; I206-A208 PolarHBondContact O-N 3.5Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.2Å; A208-G211 WeakPolarHBondContact O-CA 3.43Å; A208-G211 PolarHBondContact O-N 2.74Å; A208-G211 VanDerWaalsContact O-N 3.12Å; A208-A212 PolarHBondContact O-N 2.89Å
209C96.4Very high94.9Very high21 Ų2134.4 Ų34.414%0.14219%0.187CC..Hα-helixtrans-60.6-42.1176-177.80000111.9F132 V139 Y205 I206 G211 A212 G213F132-C209 WeakPolarHBondContact CE2-O 3.37Å; V139-C209 HydrophobicContact CG2-CB 3.89Å; Y205-C209 WeakPolarHBondContact O-CB 3.25Å; Y205-C209 PolarHBondContact O-N 3.36Å; I206-C209 PolarHBondContact O-N 2.92Å; C209-G211 VanDerWaalsContact C-N 3.33Å; C209-G211 PolarHBondContact O-N 2.94Å; C209-A212 PolarHBondContact O-N 3.47Å; C209-G213 PolarHBondContact O-N 3.42Å
210A97.2Very high95.2Very high62 Ų6231.9 Ų31.951%0.51218%0.182SC..Hα-helixtrans-63.1-39.7173.600000112I206 V207 A208 G213 A214I206-A210 WeakPolarHBondContact O-CB 3.34Å; I206-A210 PolarHBondContact O-N 3.2Å; V207-A210 PolarHBondContact O-N 3.36Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.2Å; A210-G213 PolarHBondContact O-N 3.39Å; A210-A214 PolarHBondContact O-N 2.82Å
211G96.7Very high95.4Very high0 Ų029.4 Ų29.40%017%0.169CC..Hα-helixtrans-60.7-43173.700000112.8G28 V207 A208 C209 G213 A214 T215G28-G211 CarbonylContact C-O 3.45Å; G28-G211 VanDerWaalsContact CA-O 3.29Å; G28-G211 WeakPolarHBondContact CA-O 3.2Å; G28-G211 CarbonylContact O-C 3.38Å; G28-G211 WeakPolarHBondContact O-CA 3.32Å; V207-G211 PolarHBondContact O-N 3.35Å; A208-G211 WeakPolarHBondContact O-CA 3.43Å; A208-G211 PolarHBondContact O-N 2.74Å; A208-G211 VanDerWaalsContact O-N 3.12Å; C209-G211 VanDerWaalsContact C-N 3.33Å; C209-G211 PolarHBondContact O-N 2.94Å; G211-G213 VanDerWaalsContact C-N 3.35Å; G211-A214 PolarHBondContact O-N 3.47Å; G211-T215 PolarHBondContact O-N 2.98Å; G211-T215 PolarHBondContact O-OG1 3.28Å
212A96.6Very high95.4Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-61.7-40.9172.700000111.9F32 W128 F132 A208 C209 T215 V216F32-A212 HydrophobicContact CD2-CB 3.73Å; F32-A212 HydrophobicContact CE2-CB 4.17Å; F32-A212 HydrophobicContact CG-CB 4.41Å; W128-A212 PolarHBondContact NE1-O 3.36Å; F132-A212 HydrophobicContact CB-CB 4.28Å; F132-A212 HydrophobicContact CD2-CB 4.06Å; A208-A212 PolarHBondContact O-N 2.89Å; C209-A212 PolarHBondContact O-N 3.47Å; A212-T215 VanDerWaalsContact C-OG1 3.24Å; A212-T215 WeakPolarHBondContact CA-OG1 3.3Å; A212-T215 PolarHBondContact O-N 2.76Å; A212-T215 PolarHBondContact O-OG1 2.89Å; A212-V216 WeakPolarHBondContact O-CG2 3.45Å; A212-V216 PolarHBondContact O-N 2.97Å; A212-V216 VanDerWaalsContact O-N 3.09Å
213G96.3Very high95.4Very high14 Ų1430.8 Ų30.814%0.14418%0.176CC..Hα-helixtrans-64-45.2174.100000113C209 A210 G211 T215 V216 I217C209-G213 PolarHBondContact O-N 3.42Å; A210-G213 PolarHBondContact O-N 3.39Å; G211-G213 VanDerWaalsContact C-N 3.35Å; G213-T215 VanDerWaalsContact C-N 3.25Å; G213-T215 PolarHBondContact O-N 3.33Å; G213-V216 WeakPolarHBondContact O-CB 3.34Å; G213-V216 PolarHBondContact O-N 3.33Å; G213-I217 WeakPolarHBondContact O-CG1 3.35Å; G213-I217 PolarHBondContact O-N 2.92Å
214A97Very high95.3Very high21 Ų2132.6 Ų32.617%0.17419%0.186CC..Hα-helixtrans-59.9-37177.600000112.3L24 A210 G211 I217 A218L24-A214 HydrophobicContact CD1-CB 4.12Å; L24-A214 HydrophobicContact CG-CB 4.43Å; A210-A214 PolarHBondContact O-N 2.82Å; G211-A214 PolarHBondContact O-N 3.47Å; A214-I217 PolarHBondContact O-N 2.02Å; A214-A218 WeakPolarHBondContact O-CB 3.28Å; A214-A218 PolarHBondContact O-N 3.48Å
215T96.1Very high94.9Very high0 Ų031.9 Ų31.90%018%0.184CC..Hα-helixtrans-71.6-36.9176.427.20000113.3C25 G28 V29 W128 G211 A212 G213 I217 A218 L219C25-T215 WeakPolarHBondContact O-CG2 3.42Å; G28-T215 VanDerWaalsContact C-CG2 3.48Å; V29-T215 HydrophobicContact CB-CG2 4.18Å; V29-T215 HydrophobicContact CG2-CG2 3.34Å; W128-T215 PolarHBondContact NE1-OG1 3.2Å; G211-T215 PolarHBondContact O-N 2.98Å; G211-T215 PolarHBondContact O-OG1 3.28Å; A212-T215 VanDerWaalsContact C-OG1 3.24Å; A212-T215 WeakPolarHBondContact CA-OG1 3.3Å; A212-T215 PolarHBondContact O-N 2.76Å; A212-T215 PolarHBondContact O-OG1 2.89Å; G213-T215 VanDerWaalsContact C-N 3.25Å; G213-T215 PolarHBondContact O-N 3.33Å; T215-I217 VanDerWaalsContact C-N 3.31Å; T215-I217 PolarHBondContact O-N 3.14Å; T215-A218 PolarHBondContact O-N 3.27Å; T215-L219 WeakPolarHBondContact O-CG 3.47Å; T215-L219 PolarHBondContact O-N 2.88Å
216V96.8Very high94.5Very high14 Ų1431 Ų319%0.08518%0.18CC..Hα-helixtrans-56.7-49.3168.1173.40000110W128 L129 F132 A212 G213 A218 L219 L220W128-V216 HydrophobicContact CG-CG2 4.49Å; L129-V216 HydrophobicContact CD2-CG1 3.59Å; L129-V216 HydrophobicContact CD2-CG2 4.07Å; L129-V216 HydrophobicContact CG-CG1 4.04Å; L129-V216 HydrophobicContact CG-CG2 4.34Å; F132-V216 HydrophobicContact CB-CG2 4.17Å; A212-V216 WeakPolarHBondContact O-CG2 3.45Å; A212-V216 PolarHBondContact O-N 2.97Å; A212-V216 VanDerWaalsContact O-N 3.09Å; G213-V216 WeakPolarHBondContact O-CB 3.34Å; G213-V216 PolarHBondContact O-N 3.33Å; V216-A218 VanDerWaalsContact C-N 3.3Å; V216-A218 PolarHBondContact O-N 2.92Å; V216-L219 PolarHBondContact O-N 3.18Å; V216-L220 HydrophobicContact CG1-CD1 4.15Å; V216-L220 HydrophobicContact CG1-CG 4.44Å; V216-L220 WeakPolarHBondContact O-CG 2.97Å; V216-L220 PolarHBondContact O-N 3.19Å
217I96.4Very high94.1Very high93 Ų9330.7 Ų30.748%0.47718%0.182SC..Hα-helixtrans-59.8-43.7179.8-63.9167.9000110.4L24 G213 A214 T215 L219 L220 I221L24-I217 HydrophobicContact CD2-CB 4.1Å; L24-I217 HydrophobicContact CD2-CG2 3.75Å; G213-I217 WeakPolarHBondContact O-CG1 3.35Å; G213-I217 PolarHBondContact O-N 2.92Å; A214-I217 PolarHBondContact O-N 2.02Å; T215-I217 VanDerWaalsContact C-N 3.31Å; T215-I217 PolarHBondContact O-N 3.14Å; I217-L219 PolarHBondContact O-N 2.78Å; I217-L220 PolarHBondContact O-N 2.93Å; I217-I221 HydrophobicContact CG2-CD1 4.04Å; I217-I221 WeakPolarHBondContact O-CG1 3.25Å; I217-I221 PolarHBondContact O-N 3.21Å
218A96.1Very high93.5Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-60-44.8176.700000112.6A21 L24 C25 A214 T215 V216 L220 I221 Y222A21-A218 WeakPolarHBondContact O-CB 3.24Å; L24-A218 HydrophobicContact CB-CB 4.04Å; L24-A218 HydrophobicContact CD2-CB 4.19Å; L24-A218 HydrophobicContact CG-CB 4.14Å; C25-A218 HydrophobicContact CB-CB 3.68Å; A214-A218 WeakPolarHBondContact O-CB 3.28Å; A214-A218 PolarHBondContact O-N 3.48Å; T215-A218 PolarHBondContact O-N 3.27Å; V216-A218 VanDerWaalsContact C-N 3.3Å; V216-A218 PolarHBondContact O-N 2.92Å; A218-L220 VanDerWaalsContact C-N 3.32Å; A218-L220 PolarHBondContact O-N 3.41Å; A218-I221 PolarHBondContact O-N 3.09Å; A218-Y222 VanDerWaalsContact O-CD2 3.28Å; A218-Y222 WeakPolarHBondContact O-CD2 3.45Å; A218-Y222 PolarHBondContact O-N 3.45Å
219L94.8Very high92.7Very high3 Ų336.2 Ų36.22%0.01620%0.198CC..Hα-helixtrans-64-36176.9-70.8172000112.2F79 T121 L124 W128 T215 V216 I217 Y222 M223F79-L219 HydrophobicContact CE1-CD1 4.08Å; F79-L219 HydrophobicContact CE1-CD2 4.15Å; F79-L219 HydrophobicContact CE1-CG 4.43Å; F79-L219 HydrophobicContact CZ-CD1 4.34Å; T121-L219 HydrophobicContact CG2-CD2 4.34Å; L124-L219 HydrophobicContact CD2-CD1 4.5Å; L124-L219 HydrophobicContact CD2-CD2 3.84Å; L124-L219 HydrophobicContact CG-CD1 4.09Å; L124-L219 HydrophobicContact CG-CD2 4.24Å; W128-L219 HydrophobicContact CB-CD1 3.83Å; W128-L219 HydrophobicContact CG-CD1 4.14Å; T215-L219 WeakPolarHBondContact O-CG 3.47Å; T215-L219 PolarHBondContact O-N 2.88Å; V216-L219 PolarHBondContact O-N 3.18Å; I217-L219 PolarHBondContact O-N 2.78Å; L219-Y222 PolarHBondContact O-N 3.47Å; L219-M223 WeakPolarHBondContact O-CB 3.32Å; L219-M223 PolarHBondContact O-N 3.18Å
220L94.5Very high92.1Very high84 Ų8438.3 Ų38.344%0.4421%0.205SC..Hα-helixtrans-65.2-41.4172.7-68.3174.1000111.8V216 I217 A218 M223 M224V216-L220 HydrophobicContact CG1-CD1 4.15Å; V216-L220 HydrophobicContact CG1-CG 4.44Å; V216-L220 WeakPolarHBondContact O-CG 2.97Å; V216-L220 PolarHBondContact O-N 3.19Å; I217-L220 PolarHBondContact O-N 2.93Å; A218-L220 VanDerWaalsContact C-N 3.32Å; A218-L220 PolarHBondContact O-N 3.41Å; L220-M223 HydrophobicContact CD2-CE 4.46Å; L220-M223 WeakPolarHBondContact O-CB 3.44Å; L220-M223 PolarHBondContact O-N 3.06Å; L220-M224 WeakPolarHBondContact O-CG 3.38Å; L220-M224 PolarHBondContact O-N 2.01Å
221I94.1Very high91.4Very high36 Ų3637.1 Ų37.119%0.18520%0.195CC..Hα-helixtrans-63.8-43.5175.5-61.6165000110.4A17 A21 L24 I217 A218 M223 M224 A225A17-I221 HydrophobicContact CB-CG2 4.43Å; A21-I221 HydrophobicContact CB-CB 3.94Å; A21-I221 HydrophobicContact CB-CG2 3.75Å; L24-I221 HydrophobicContact CD2-CD1 4.24Å; I217-I221 HydrophobicContact CG2-CD1 4.04Å; I217-I221 WeakPolarHBondContact O-CG1 3.25Å; I217-I221 PolarHBondContact O-N 3.21Å; A218-I221 PolarHBondContact O-N 3.09Å; I221-M223 VanDerWaalsContact C-N 3.34Å; I221-M223 PolarHBondContact O-N 3.15Å; I221-M224 HydrophobicContact CB-CE 4.43Å; I221-M224 HydrophobicContact CG1-CE 4.1Å; I221-M224 PolarHBondContact O-N 2.89Å; I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.42Å
222Y91.7Very high90.5Very high1 Ų138.5 Ų38.50%0.00420%0.204CC..Hα-helixtrans-60.7-41.6173.7-80-57.9000112.5A21 T22 C25 G83 L86 A218 L219 M224 A225 T226A21-Y222 HydrophobicContact CB-CD1 3.81Å; A21-Y222 HydrophobicContact CB-CD2 3.86Å; A21-Y222 HydrophobicContact CB-CE1 3.81Å; A21-Y222 HydrophobicContact CB-CE2 3.87Å; A21-Y222 HydrophobicContact CB-CG 3.86Å; T22-Y222 WeakPolarHBondContact CA-OH 3.01Å; T22-Y222 VanDerWaalsContact CB-OH 3.23Å; T22-Y222 WeakPolarHBondContact CB-OH 3Å; T22-Y222 PolarHBondContact N-OH 2.86Å; T22-Y222 PolarHBondContact OG1-OH 3.01Å; C25-Y222 HydrophobicContact CB-CE2 4.06Å; G83-Y222 PolarHBondContact O-OH 2.96Å; L86-Y222 HydrophobicContact CB-CD1 3.95Å; L86-Y222 HydrophobicContact CB-CE1 3.62Å; L86-Y222 HydrophobicContact CD1-CD1 3.93Å; L86-Y222 HydrophobicContact CD1-CD2 3.86Å; L86-Y222 HydrophobicContact CD1-CE1 4.12Å; L86-Y222 HydrophobicContact CD1-CE2 4.02Å; L86-Y222 HydrophobicContact CD1-CG 3.77Å; A218-Y222 VanDerWaalsContact O-CD2 3.28Å; A218-Y222 WeakPolarHBondContact O-CD2 3.45Å; A218-Y222 PolarHBondContact O-N 3.45Å; L219-Y222 PolarHBondContact O-N 3.47Å; Y222-M224 PolarHBondContact O-N 3.2Å; Y222-A225 PolarHBondContact O-N 2.97Å; Y222-T226 WeakPolarHBondContact O-CB 3.3Å; Y222-T226 VanDerWaalsContact O-CG2 3.29Å; Y222-T226 WeakPolarHBondContact O-CG2 3.34Å; Y222-T226 PolarHBondContact O-N 2.67Å; Y222-T226 PolarHBondContact O-OG1 3.44Å
223M91.1Very high89.3Confident56 Ų5639.7 Ų39.728%0.27621%0.21SC..Hα-helixtrans-61.1-45.2176.2-170.8-172.976.100110.9T121 Y122 L219 L220 I221 T226 T227T121-M223 HydrophobicContact CG2-CB 4.42Å; Y122-M223 HydrophobicContact CD2-SD 3.99Å; L219-M223 WeakPolarHBondContact O-CB 3.32Å; L219-M223 PolarHBondContact O-N 3.18Å; L220-M223 HydrophobicContact CD2-CE 4.46Å; L220-M223 WeakPolarHBondContact O-CB 3.44Å; L220-M223 PolarHBondContact O-N 3.06Å; I221-M223 VanDerWaalsContact C-N 3.34Å; I221-M223 PolarHBondContact O-N 3.15Å; M223-T226 PolarHBondContact O-OG1 3.11Å; M223-T227 HydrophobicContact CG-CG2 4.35Å; M223-T227 VanDerWaalsContact O-CB 3.28Å; M223-T227 WeakPolarHBondContact O-CB 2.99Å; M223-T227 WeakPolarHBondContact O-CG2 2.95Å; M223-T227 PolarHBondContact O-N 3.49Å; M223-T227 PolarHBondContact O-OG1 3Å
224M90.6Very high88.2Confident112 Ų11245 Ų4555%0.55223%0.229SC*.Hα-helixtrans-62.4-45.1176.4-69.8-174.6-69.600112.1L220 I221 Y222 T227 Y228L220-M224 WeakPolarHBondContact O-CG 3.38Å; L220-M224 PolarHBondContact O-N 2.01Å; I221-M224 HydrophobicContact CB-CE 4.43Å; I221-M224 HydrophobicContact CG1-CE 4.1Å; I221-M224 PolarHBondContact O-N 2.89Å; Y222-M224 PolarHBondContact O-N 3.2Å; M224-T227 WeakPolarHBondContact CA-OG1 3.49Å; M224-T227 PolarHBondContact O-OG1 3.17Å; M224-Y228 WeakPolarHBondContact O-CB 3.42Å; M224-Y228 PolarHBondContact O-N 3.44Å
225A87.9Confident87.1Confident11 Ų1150.6 Ų50.69%0.09125%0.25CC..Hα-helixtrans-65.5-48.6-179.900000112.2A17 I221 Y222 Y228 N229A17-A225 HydrophobicContact CB-CB 4.3Å; I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.42Å; Y222-A225 PolarHBondContact O-N 2.97Å; A225-Y228 PolarHBondContact O-N 3.22Å; A225-N229 WeakPolarHBondContact O-CB 3.46Å; A225-N229 PolarHBondContact O-N 3.44Å; A225-N229 PolarHBondContact O-ND2 3.2Å
226T85.2Confident85.7Confident0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-67.2-38.1-179.253.90000112.2L86 Y222 M223 N229 F230L86-T226 HydrophobicContact CD2-CG2 4.32Å; Y222-T226 WeakPolarHBondContact O-CB 3.3Å; Y222-T226 VanDerWaalsContact O-CG2 3.29Å; Y222-T226 WeakPolarHBondContact O-CG2 3.34Å; Y222-T226 PolarHBondContact O-N 2.67Å; Y222-T226 PolarHBondContact O-OG1 3.44Å; M223-T226 PolarHBondContact O-OG1 3.11Å; T226-N229 PolarHBondContact O-N 2.87Å; T226-F230 WeakPolarHBondContact O-CB 3.03Å; T226-F230 PolarHBondContact O-N 3.33Å
227T87.1Confident84.1Confident57 Ų5756 Ų5635%0.3528%0.276SS..Hα-helixtrans-67.1-40.1175.152.20000112.4V118 M223 M224 F230 A231V118-T227 HydrophobicContact CG1-CG2 3.62Å; V118-T227 HydrophobicContact CG2-CG2 4.23Å; M223-T227 HydrophobicContact CG-CG2 4.35Å; M223-T227 VanDerWaalsContact O-CB 3.28Å; M223-T227 WeakPolarHBondContact O-CB 2.99Å; M223-T227 WeakPolarHBondContact O-CG2 2.95Å; M223-T227 PolarHBondContact O-N 3.49Å; M223-T227 PolarHBondContact O-OG1 3Å; M224-T227 WeakPolarHBondContact CA-OG1 3.49Å; M224-T227 PolarHBondContact O-OG1 3.17Å; T227-F230 PolarHBondContact O-N 3.17Å; T227-A231 WeakPolarHBondContact O-CB 3.49Å; T227-A231 PolarHBondContact O-N 3.32Å
228Y85Confident82.5Confident157 Ų15760.4 Ų60.462%0.61629%0.287SS*.Hα-helixtrans-59.6-49.2172.8175.8-97.8000110.9M224 A225 F230 A231 V232M224-Y228 WeakPolarHBondContact O-CB 3.42Å; M224-Y228 PolarHBondContact O-N 3.44Å; A225-Y228 PolarHBondContact O-N 3.22Å; Y228-F230 PolarHBondContact O-N 3.09Å; Y228-A231 PolarHBondContact O-N 3.35Å; Y228-V232 HydrophobicContact CD1-CG2 4.23Å; Y228-V232 HydrophobicContact CD2-CG2 4.44Å; Y228-V232 HydrophobicContact CE1-CG2 3.81Å; Y228-V232 HydrophobicContact CE2-CG2 4.03Å; Y228-V232 WeakPolarHBondContact O-CG2 3.34Å; Y228-V232 PolarHBondContact O-N 2.86Å
229N80.2Confident80.9Confident18 Ų1866.5 Ų66.510%0.09632%0.315CS..Hα-helixtrans-59.1-46.7177.8-69.8-19.4000111.2T93 A225 T226 A231 V232 L233T93-N229 PolarHBondContact OG1-ND2 2.92Å; A225-N229 WeakPolarHBondContact O-CB 3.46Å; A225-N229 PolarHBondContact O-N 3.44Å; A225-N229 PolarHBondContact O-ND2 3.2Å; T226-N229 PolarHBondContact O-N 2.87Å; N229-A231 VanDerWaalsContact C-N 3.35Å; N229-A231 PolarHBondContact O-N 3.46Å; N229-V232 PolarHBondContact O-N 3.36Å; N229-L233 VanDerWaalsContact O-CG 3.22Å; N229-L233 WeakPolarHBondContact O-CG 3.39Å; N229-L233 PolarHBondContact O-N 3.49Å
230F82Confident79.2Confident66 Ų6671 Ų7129%0.28934%0.339SS..Hα-helixtrans-59.4-42.4175.7179.5-101.6000112.7V118 T226 T227 Y228 L233 K234V118-F230 HydrophobicContact CG2-CB 4.41Å; T226-F230 WeakPolarHBondContact O-CB 3.03Å; T226-F230 PolarHBondContact O-N 3.33Å; T227-F230 PolarHBondContact O-N 3.17Å; Y228-F230 PolarHBondContact O-N 3.09Å; F230-L233 PolarHBondContact O-N 3.35Å; F230-K234 PolarHBondContact O-N 3.05Å
231A82.9Confident77.4Confident37 Ų3770.8 Ų70.831%0.30634%0.344SS..Hα-helixtrans-64-47.7177.900000111.7T227 Y228 N229 L233 K234 F235T227-A231 WeakPolarHBondContact O-CB 3.49Å; T227-A231 PolarHBondContact O-N 3.32Å; Y228-A231 PolarHBondContact O-N 3.35Å; N229-A231 VanDerWaalsContact C-N 3.35Å; N229-A231 PolarHBondContact O-N 3.46Å; A231-L233 VanDerWaalsContact C-N 3.28Å; A231-L233 PolarHBondContact O-N 2.64Å; A231-K234 WeakPolarHBondContact O-CA 3.5Å; A231-K234 WeakPolarHBondContact O-CB 3.25Å; A231-K234 PolarHBondContact O-N 3.34Å; A231-F235 HydrophobicContact CB-CE2 4.45Å; A231-F235 WeakPolarHBondContact O-CD2 3.38Å; A231-F235 PolarHBondContact O-N 3.29Å
232V77.4Confident75.6Confident29 Ų2973.5 Ų73.518%0.17637%0.365CS..Hα-helixtrans-58.2-41.3177172.40000111.1Y228 N229 K234 F235 K236Y228-V232 HydrophobicContact CD1-CG2 4.23Å; Y228-V232 HydrophobicContact CD2-CG2 4.44Å; Y228-V232 HydrophobicContact CE1-CG2 3.81Å; Y228-V232 HydrophobicContact CE2-CG2 4.03Å; Y228-V232 WeakPolarHBondContact O-CG2 3.34Å; Y228-V232 PolarHBondContact O-N 2.86Å; N229-V232 PolarHBondContact O-N 3.36Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 3.18Å; V232-F235 PolarHBondContact O-N 3.34Å; V232-K236 HydrophobicContact CG1-CD 4.44Å; V232-K236 PolarHBondContact O-N 3.36Å
233L71.9Confident73.9Confident25 Ų2578.6 Ų78.613%0.13140%0.396CS..Hα-helixtrans-64.5-35.3175.7-65.6176.6000113.1T93 K98 N229 F230 A231 S237T93-L233 HydrophobicContact CG2-CD1 4.21Å; K98-L233 HydrophobicContact CD-CD2 4.1Å; N229-L233 VanDerWaalsContact O-CG 3.22Å; N229-L233 WeakPolarHBondContact O-CG 3.39Å; N229-L233 PolarHBondContact O-N 3.49Å; F230-L233 PolarHBondContact O-N 3.35Å; A231-L233 VanDerWaalsContact C-N 3.28Å; A231-L233 PolarHBondContact O-N 2.64Å; L233-S237 WeakPolarHBondContact O-CB 3.42Å; L233-S237 PolarHBondContact O-N 2.93Å
234K74.3Confident72Confident124 Ų12483.9 Ų83.954%0.53942%0.418SS..Hα-helixtrans-67.9-39175-168.8-179.8-179.8-177.90111.8F230 A231 V232 R238F230-K234 PolarHBondContact O-N 3.05Å; A231-K234 WeakPolarHBondContact O-CA 3.5Å; A231-K234 WeakPolarHBondContact O-CB 3.25Å; A231-K234 PolarHBondContact O-N 3.34Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 3.18Å; K234-R238 PolarHBondContact O-N 3.37Å
235F72.3Confident69.6Low140 Ų14090.3 Ų90.361%0.61444%0.443SS*.Hα-helixtrans-69.7-51.6179.2-76.1-68.3000112.7A231 V232 S237 R238 E239A231-F235 HydrophobicContact CB-CE2 4.45Å; A231-F235 WeakPolarHBondContact O-CD2 3.38Å; A231-F235 PolarHBondContact O-N 3.29Å; V232-F235 PolarHBondContact O-N 3.34Å; F235-S237 VanDerWaalsContact C-N 3.27Å; F235-S237 PolarHBondContact O-N 3.03Å; F235-R238 WeakPolarHBondContact O-CB 2.98Å; F235-R238 PolarHBondContact O-N 3.05Å; F235-E239 PolarHBondContact O-N 3.25Å
236K68.3Low68.7Low93 Ų9394.3 Ų94.340%0.40446%0.461SS..Hα-helixtrans-57.3-39.9178.4-76.2-176172.6178.80112.6S95 V232 R238 E239 D240S95-K236 PolarHBondContact OG-NZ 3.17Å; V232-K236 HydrophobicContact CG1-CD 4.44Å; V232-K236 PolarHBondContact O-N 3.36Å; K236-R238 PolarHBondContact O-N 3.24Å; K236-E239 PolarHBondContact O-N 2.77Å; K236-D240 PolarHBondContact O-N 3.39Å
237S63.4Low67.9Low35 Ų3599.2 Ų99.225%0.24549%0.485CS..Hα-helixtrans-62.9-27.3175.6173.90000113.7R111 L233 F235 C241R111-S237 PolarHBondContact NH1-OG 2.98Å; R111-S237 VanDerWaalsContact NH1-OG 3.12Å; L233-S237 WeakPolarHBondContact O-CB 3.42Å; L233-S237 PolarHBondContact O-N 2.93Å; F235-S237 VanDerWaalsContact C-N 3.27Å; F235-S237 PolarHBondContact O-N 3.03Å; S237-C241 PolarHBondContact O-N 3.28Å
238R61.9Low66.8Low184 Ų184101.6 Ų101.669%0.69449%0.493SS*.Hα-helixtrans-76.9-37.3177-167.3176.5-176.9172.50.5110.8K234 F235 K236 C241 C242K234-R238 PolarHBondContact O-N 3.37Å; F235-R238 WeakPolarHBondContact O-CB 2.98Å; F235-R238 PolarHBondContact O-N 3.05Å; K236-R238 PolarHBondContact O-N 3.24Å; R238-C241 WeakPolarHBondContact O-CB 3.46Å; R238-C241 PolarHBondContact O-N 3.08Å; R238-C242 PolarHBondContact O-N 2.69Å; R238-C242 VanDerWaalsContact O-N 3.14Å; R238-C242 PolarHBondContact O-SG 2.96Å
239E61.8Low65.7Low128 Ų12898.3 Ų98.360%0.59849%0.485SS*.Hα-helixtrans-64.1-46.7174.2-69.1177.6162.800111.4F235 K236 C241 C242 T243F235-E239 PolarHBondContact O-N 3.25Å; K236-E239 PolarHBondContact O-N 2.77Å; E239-C241 PolarHBondContact O-N 3.17Å; E239-C241 VanDerWaalsContact O-N 3.17Å; E239-C242 PolarHBondContact O-N 3.04Å; E239-T243 WeakPolarHBondContact O-CG2 3.47Å; E239-T243 PolarHBondContact O-N 3.04Å; E239-T243 PolarHBondContact O-OG1 3.43Å; E239-T243 VanDerWaalsContact O-OG1 3.05Å
240D59.1Low64.8Low98 Ų98103.3 Ų103.352%0.52451%0.51SS..Hα-helixtrans-59.5-27.2175.7-73.7-21.2000113.7K236K236-D240 PolarHBondContact O-N 3.39Å
241C56.6Low63.7Low80 Ų80105.8 Ų105.854%0.54152%0.524SS..Hα-helixtrans-78.3-35.2175.7-167.20000111.5S237 R238 E239 F245S237-C241 PolarHBondContact O-N 3.28Å; R238-C241 WeakPolarHBondContact O-CB 3.46Å; R238-C241 PolarHBondContact O-N 3.08Å; E239-C241 PolarHBondContact O-N 3.17Å; E239-C241 VanDerWaalsContact O-N 3.17Å; C241-F245 WeakPolarHBondContact O-CE2 3.45Å
242C56.7Low62.3Low92 Ų92110.7 Ų110.762%0.62254%0.54SS*.Hα-helixtrans-81.4-25-179.8-67.90000113.6R238 E239R238-C242 PolarHBondContact O-N 2.69Å; R238-C242 VanDerWaalsContact O-N 3.14Å; R238-C242 PolarHBondContact O-SG 2.96Å; E239-C242 PolarHBondContact O-N 3.04Å
243T56.3Low61.1Low108 Ų108117 Ų11766%0.66357%0.568SS**SBendtrans-89.2-2.4179.453.90000113.9E239E239-T243 WeakPolarHBondContact O-CG2 3.47Å; E239-T243 PolarHBondContact O-N 3.04Å; E239-T243 PolarHBondContact O-OG1 3.43Å; E239-T243 VanDerWaalsContact O-OG1 3.05Å
244K50.5Low60.2Low168 Ų168124.7 Ų124.773%0.7360%0.604SS**  trans-91.914.9-178.8-106.8-177.7179.9174.80115.2
245F41.7Very low59Low246 Ų246124.7 Ų124.7100%1.07961%0.61SS**  trans-116.70174.9-66.9-78.7000110.9C241C241-F245 WeakPolarHBondContact O-CE2 3.45Å

Retrieved 245 of 245 residues in 45.2 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).