A0A077ZJG5_TRITR Loading...

RICTOR M and RICTOR N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 591 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
1M41.9Very low78.9Confident238 Ų238100.5 Ų100.5100%1.17251%0.513SS*.  0-7.90-76.3-79.2-136.500113.3
2N56.1Low79.8Confident102 Ų102103.9 Ų103.955%0.54552%0.515SS..  trans-120.9-9.3-176.3-88.5-1.4000116.6S5 E6N2-S5 PolarHBondContact O-OG 3.32Å; N2-E6 PolarHBondContact O-N 2.8Å
3D76.8Confident80.6Confident122 Ų122102.2 Ų102.265%0.65251%0.508SS*.Hα-helixtrans-75.3-37.5-169.7-59.48.4000112.9R7D3-R7 WeakPolarHBondContact O-CB 3.44Å; D3-R7 WeakPolarHBondContact O-CG 3.18Å; D3-R7 PolarHBondContact O-N 3.18Å
4E80.6Confident81.2Confident112 Ų11296.7 Ų96.752%0.52348%0.48SS..Hα-helixtrans-66.5-39177.2-86-167145.500112.6R7 L8 S46E4-R7 PolarHBondContact O-N 3.15Å; E4-L8 WeakPolarHBondContact O-CB 3.44Å; E4-L8 PolarHBondContact O-N 2.98Å; E4-S46 PolarHBondContact OE1-OG 3.49Å
5S83.4Confident81.8Confident64 Ų6493.6 Ų93.645%0.44847%0.468SS..Hα-helixtrans-68.9-39.4-18060.20000111.3N2 L8 Q9N2-S5 PolarHBondContact O-OG 3.32Å; S5-L8 PolarHBondContact O-N 2.89Å; S5-Q9 WeakPolarHBondContact O-CG 3.43Å; S5-Q9 PolarHBondContact O-N 3.22Å
6E86.7Confident82.2Confident123 Ų12395.3 Ų95.358%0.57547%0.474SS*.Hα-helixtrans-63.7-46.4172.1-74.9-173.4-179.900111.9N2 L8 Q9 C10N2-E6 PolarHBondContact O-N 2.8Å; E6-L8 VanDerWaalsContact C-N 3.26Å; E6-L8 PolarHBondContact O-N 3.09Å; E6-Q9 PolarHBondContact O-N 3.36Å; E6-Q9 VanDerWaalsContact O-N 3.11Å; E6-C10 PolarHBondContact O-N 3.4Å; E6-C10 PolarHBondContact O-SG 3.07Å
7R87.3Confident82.5Confident86 Ų8694.4 Ų94.433%0.32547%0.467SS..Hα-helixtrans-58-40.3174.9-71.4173.376.4-159.90.9111.5D3 E4 C10 L11 D45 L47D3-R7 WeakPolarHBondContact O-CB 3.44Å; D3-R7 WeakPolarHBondContact O-CG 3.18Å; D3-R7 PolarHBondContact O-N 3.18Å; E4-R7 PolarHBondContact O-N 3.15Å; R7-C10 WeakPolarHBondContact O-CB 3.42Å; R7-C10 PolarHBondContact O-N 3.43Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.38Å; R7-D45 IonicContact CZ-OD1 3.14Å; R7-D45 VanDerWaalsContact CZ-OD1 3.29Å; R7-D45 IonicContact CZ-OD2 3.8Å; R7-D45 IonicContact NH1-OD1 2.74Å; R7-D45 PolarHBondContact NH1-OD1 2.89Å; R7-D45 IonicContact NH1-OD2 3.89Å; R7-D45 VanDerWaalsContact NH2-CG 3.28Å; R7-D45 IonicContact NH2-OD1 3.19Å; R7-D45 PolarHBondContact NH2-OD1 3.42Å; R7-D45 IonicContact NH2-OD2 2.73Å; R7-D45 PolarHBondContact NH2-OD2 3.48Å; R7-L47 HydrophobicContact CB-CD1 3.49Å; R7-L47 VanDerWaalsContact CB-CD1 3.49Å; R7-L47 HydrophobicContact CG-CD1 4.41Å
8L87.3Confident82.8Confident61 Ų6189.2 Ų89.232%0.31944%0.441SS..Hα-helixtrans-64.7-39.6176.6-157.399.2000112.2E4 S5 E6 L11 R12 L47 I50E4-L8 WeakPolarHBondContact O-CB 3.44Å; E4-L8 PolarHBondContact O-N 2.98Å; S5-L8 PolarHBondContact O-N 2.89Å; E6-L8 VanDerWaalsContact C-N 3.26Å; E6-L8 PolarHBondContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 3.39Å; L8-R12 WeakPolarHBondContact O-CG 3.43Å; L8-R12 PolarHBondContact O-N 3.16Å; L8-L47 HydrophobicContact CD1-CD2 3.85Å; L8-I50 HydrophobicContact CD1-CD1 4.31Å
9Q88.5Confident83Confident113 Ų11388.6 Ų88.653%0.52844%0.44SS..Hα-helixtrans-67.5-38.7175.1-65.4-64.3-4.600111.8S5 E6 L11 R12 L13S5-Q9 WeakPolarHBondContact O-CG 3.43Å; S5-Q9 PolarHBondContact O-N 3.22Å; E6-Q9 PolarHBondContact O-N 3.36Å; E6-Q9 VanDerWaalsContact O-N 3.11Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-L11 PolarHBondContact O-N 2.82Å; Q9-R12 WeakPolarHBondContact O-CB 3.47Å; Q9-R12 PolarHBondContact O-N 3.36Å; Q9-L13 PolarHBondContact O-N 3.15Å
10C89.4Confident83.3Confident74 Ų7490.1 Ų90.150%0.545%0.449SS..Hα-helixtrans-59.9-43.5171.7-71.90000111.7E6 R7 R12 L13 F14E6-C10 PolarHBondContact O-N 3.4Å; E6-C10 PolarHBondContact O-SG 3.07Å; R7-C10 WeakPolarHBondContact O-CB 3.42Å; R7-C10 PolarHBondContact O-N 3.43Å; C10-R12 VanDerWaalsContact C-N 3.34Å; C10-R12 PolarHBondContact O-N 3.15Å; C10-L13 WeakPolarHBondContact O-CB 3.48Å; C10-L13 PolarHBondContact O-N 2.98Å; C10-F14 WeakPolarHBondContact O-CD1 3.38Å; C10-F14 PolarHBondContact O-N 3.5Å
11L89.7Confident83.4Confident11 Ų1190.9 Ų90.96%0.05845%0.45CS..Hα-helixtrans-64.4-37.2175.5-69.2169.8000112R7 L8 Q9 L13 F14 V15 L33 L47 I50 L54R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 3.39Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-L11 PolarHBondContact O-N 2.82Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.25Å; L11-F14 WeakPolarHBondContact O-CB 3.24Å; L11-F14 PolarHBondContact O-N 3.11Å; L11-F14 VanDerWaalsContact O-N 3.16Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.06Å; L11-L33 HydrophobicContact CD2-CD2 3.95Å; L11-L47 HydrophobicContact CD1-CB 4.21Å; L11-L47 HydrophobicContact CD1-CD1 4.17Å; L11-L47 HydrophobicContact CD1-CD2 4.17Å; L11-L47 HydrophobicContact CD1-CG 4.43Å; L11-I50 HydrophobicContact CD1-CB 4.4Å; L11-I50 HydrophobicContact CD1-CG2 4.01Å; L11-L54 HydrophobicContact CB-CD1 4.2Å; L11-L54 HydrophobicContact CD2-CD1 3.67Å
12R89.5Confident85.2Confident141 Ų14181.1 Ų81.153%0.53240%0.404SS..Hα-helixtrans-63.6-37.4172.6-73.5173.3176.3-169.8-0.5112.5L8 Q9 C10 F14 V15 Q16L8-R12 WeakPolarHBondContact O-CG 3.43Å; L8-R12 PolarHBondContact O-N 3.16Å; Q9-R12 WeakPolarHBondContact O-CB 3.47Å; Q9-R12 PolarHBondContact O-N 3.36Å; C10-R12 VanDerWaalsContact C-N 3.34Å; C10-R12 PolarHBondContact O-N 3.15Å; R12-F14 VanDerWaalsContact C-N 3.32Å; R12-V15 WeakPolarHBondContact O-CB 3.36Å; R12-V15 PolarHBondContact O-N 3.43Å; R12-Q16 PolarHBondContact O-N 3.39Å
13L90Very high86.2Confident81 Ų8178 Ų7842%0.42439%0.393SS..Hα-helixtrans-64.4-40.1172.4-170.7116.8000110.8Q9 C10 L11 V15 Q16 F17Q9-L13 PolarHBondContact O-N 3.15Å; C10-L13 WeakPolarHBondContact O-CB 3.48Å; C10-L13 PolarHBondContact O-N 2.98Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.25Å; L13-V15 PolarHBondContact O-N 3.45Å; L13-Q16 PolarHBondContact O-N 3.08Å; L13-F17 HydrophobicContact CD2-CD2 3.92Å; L13-F17 HydrophobicContact CD2-CE2 3.95Å; L13-F17 HydrophobicContact CG-CD2 4.19Å; L13-F17 HydrophobicContact CG-CE2 4.38Å; L13-F17 PolarHBondContact O-N 3.36Å
14F89.6Confident86.5Confident26 Ų2678.5 Ų78.511%0.11439%0.394CS..Hα-helixtrans-63-40.2174.8-73.37000112.1C10 L11 R12 Q16 F17 I18 F29 L33 L54C10-F14 WeakPolarHBondContact O-CD1 3.38Å; C10-F14 PolarHBondContact O-N 3.5Å; L11-F14 WeakPolarHBondContact O-CB 3.24Å; L11-F14 PolarHBondContact O-N 3.11Å; L11-F14 VanDerWaalsContact O-N 3.16Å; R12-F14 VanDerWaalsContact C-N 3.32Å; F14-Q16 VanDerWaalsContact C-N 3.3Å; F14-Q16 PolarHBondContact O-N 3.18Å; F14-F17 PolarHBondContact O-N 3.48Å; F14-I18 VanDerWaalsContact O-CG1 3.23Å; F14-I18 WeakPolarHBondContact O-CG1 3.29Å; F14-I18 PolarHBondContact O-N 3.37Å; F14-F29 AromaticContact CD1-CD2 3.76Å; F14-F29 HydrophobicContact CD1-CD2 3.76Å; F14-F29 AromaticContact CD1-CE2 3.71Å; F14-F29 HydrophobicContact CD1-CE2 3.71Å; F14-F29 HydrophobicContact CD1-CZ 4.47Å; F14-F29 HydrophobicContact CE1-CD1 4.21Å; F14-F29 AromaticContact CE1-CD2 3.39Å; F14-F29 HydrophobicContact CE1-CD2 3.39Å; F14-F29 HydrophobicContact CE1-CE1 4.12Å; F14-F29 AromaticContact CE1-CE2 3.29Å; F14-F29 HydrophobicContact CE1-CE2 3.29Å; F14-F29 AromaticContact CE1-CG 3.87Å; F14-F29 HydrophobicContact CE1-CG 3.87Å; F14-F29 AromaticContact CE1-CZ 3.68Å; F14-F29 HydrophobicContact CE1-CZ 3.68Å; F14-F29 HydrophobicContact CE2-CB 4.49Å; F14-F29 HydrophobicContact CE2-CD2 4.48Å; F14-F29 HydrophobicContact CE2-CG 4.45Å; F14-F29 HydrophobicContact CG-CD2 4.46Å; F14-F29 HydrophobicContact CZ-CB 4.27Å; F14-F29 HydrophobicContact CZ-CD1 4.08Å; F14-F29 AromaticContact CZ-CD2 3.8Å; F14-F29 HydrophobicContact CZ-CD2 3.8Å; F14-F29 HydrophobicContact CZ-CE1 4.34Å; F14-F29 HydrophobicContact CZ-CE2 4.08Å; F14-F29 AromaticContact CZ-CG 3.8Å; F14-F29 HydrophobicContact CZ-CG 3.8Å; F14-F29 HydrophobicContact CZ-CZ 4.34Å; F14-L33 HydrophobicContact CD2-CD1 4.01Å; F14-L33 HydrophobicContact CD2-CD2 3.85Å; F14-L33 HydrophobicContact CD2-CG 3.83Å; F14-L33 HydrophobicContact CE2-CD2 4.28Å; F14-L33 HydrophobicContact CE2-CG 4.01Å; F14-L54 HydrophobicContact CB-CD1 4.35Å
15V90Very high86.4Confident50 Ų5073.8 Ų73.830%0.30337%0.372SS..Hα-helixtrans-54-48.6171.61740000110.8L11 R12 L13 F17 I18 N19 L54L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.06Å; R12-V15 WeakPolarHBondContact O-CB 3.36Å; R12-V15 PolarHBondContact O-N 3.43Å; L13-V15 PolarHBondContact O-N 3.45Å; V15-F17 PolarHBondContact O-N 2.62Å; V15-I18 PolarHBondContact O-N 3.08Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.3Å; V15-N19 WeakPolarHBondContact O-CB 3.47Å; V15-N19 VanDerWaalsContact O-CG 3.25Å; V15-N19 PolarHBondContact O-N 2.8Å; V15-N19 PolarHBondContact O-ND2 2.82Å; V15-N19 VanDerWaalsContact O-ND2 3.09Å; V15-L54 HydrophobicContact CB-CD2 4.31Å; V15-L54 HydrophobicContact CG2-CD2 3.28Å
16Q89.1Confident86.4Confident121 Ų12173.2 Ų73.257%0.56537%0.367SS*.Hα-helixtrans-63.4-41.6179.4-70-177.7-7.900111.9R12 L13 F14 N19 L20R12-Q16 PolarHBondContact O-N 3.39Å; L13-Q16 PolarHBondContact O-N 3.08Å; F14-Q16 VanDerWaalsContact C-N 3.3Å; F14-Q16 PolarHBondContact O-N 3.18Å; Q16-N19 PolarHBondContact O-N 2.84Å; Q16-L20 WeakPolarHBondContact O-CB 3.19Å; Q16-L20 VanDerWaalsContact O-CG 3.31Å; Q16-L20 WeakPolarHBondContact O-CG 3.22Å; Q16-L20 PolarHBondContact O-N 3.36Å
17F87.4Confident86.2Confident80 Ų8070.3 Ų70.335%0.35136%0.36SS..Hα-helixtrans-62.2-44.8175.5-100.7-84000112.7L13 F14 V15 N19 L20 F21L13-F17 HydrophobicContact CD2-CD2 3.92Å; L13-F17 HydrophobicContact CD2-CE2 3.95Å; L13-F17 HydrophobicContact CG-CD2 4.19Å; L13-F17 HydrophobicContact CG-CE2 4.38Å; L13-F17 PolarHBondContact O-N 3.36Å; F14-F17 PolarHBondContact O-N 3.48Å; V15-F17 PolarHBondContact O-N 2.62Å; F17-N19 VanDerWaalsContact C-N 3.27Å; F17-N19 PolarHBondContact O-N 3.12Å; F17-L20 PolarHBondContact O-N 2.82Å; F17-F21 HydrophobicContact CD1-CD2 4.17Å; F17-F21 HydrophobicContact CE1-CD2 4.3Å; F17-F21 CarbonylContact O-C 3.52Å; F17-F21 WeakPolarHBondContact O-CA 3.5Å; F17-F21 PolarHBondContact O-N 3.42Å
18I87.6Confident86.2Confident0 Ų069.7 Ų69.70%037%0.369CS..Hα-helixtrans-62-38.5176.9-67167.6000110.7F14 V15 P22 M25 L54 E57 L58 K61F14-I18 VanDerWaalsContact O-CG1 3.23Å; F14-I18 WeakPolarHBondContact O-CG1 3.29Å; F14-I18 PolarHBondContact O-N 3.37Å; V15-I18 PolarHBondContact O-N 3.08Å; I18-P22 WeakPolarHBondContact O-CB 3.48Å; I18-P22 WeakPolarHBondContact O-CD 3.31Å; I18-M25 HydrophobicContact CD1-CE 4.46Å; I18-M25 HydrophobicContact CG1-CE 3.94Å; I18-L54 HydrophobicContact CD1-CB 3.92Å; I18-L54 HydrophobicContact CD1-CD2 4.2Å; I18-E57 HydrophobicContact CG2-CG 4.26Å; I18-L58 HydrophobicContact CB-CD1 4.47Å; I18-L58 HydrophobicContact CD1-CB 4.35Å; I18-L58 HydrophobicContact CD1-CD1 4.44Å; I18-L58 HydrophobicContact CG1-CB 4.44Å; I18-L58 HydrophobicContact CG1-CD1 3.75Å; I18-L58 HydrophobicContact CG2-CB 4.34Å; I18-L58 HydrophobicContact CG2-CD1 4.3Å; I18-K61 HydrophobicContact CG2-CD 4.1Å
19N86.8Confident86.2Confident79 Ų7969.3 Ų69.342%0.42237%0.365SS..Hα-helixtrans-70.1-42.2178.8-76.4-33.6000113.4V15 Q16 F17 E57 K61V15-N19 WeakPolarHBondContact CG1-ND2 3.3Å; V15-N19 WeakPolarHBondContact O-CB 3.47Å; V15-N19 VanDerWaalsContact O-CG 3.25Å; V15-N19 PolarHBondContact O-N 2.8Å; V15-N19 PolarHBondContact O-ND2 2.82Å; V15-N19 VanDerWaalsContact O-ND2 3.09Å; Q16-N19 PolarHBondContact O-N 2.84Å; F17-N19 VanDerWaalsContact C-N 3.27Å; F17-N19 PolarHBondContact O-N 3.12Å; N19-E57 PolarHBondContact OD1-OE1 3.32Å; N19-K61 PolarHBondContact OD1-NZ 3.07Å
20L87.8Confident86Confident118 Ų11864.1 Ų64.162%0.61834%0.34SS*.Hα-helixtrans-89.3-37.8-173.2-65.7171.9000112.7Q16 F17Q16-L20 WeakPolarHBondContact O-CB 3.19Å; Q16-L20 VanDerWaalsContact O-CG 3.31Å; Q16-L20 WeakPolarHBondContact O-CG 3.22Å; Q16-L20 PolarHBondContact O-N 3.36Å; F17-L20 PolarHBondContact O-N 2.82Å
21F85.3Confident85.9Confident107 Ų10764.8 Ų64.847%0.46934%0.339SS..  trans-135.954.1-169.6-51.9-68.4000113.4F17 A23 I24F17-F21 HydrophobicContact CD1-CD2 4.17Å; F17-F21 HydrophobicContact CE1-CD2 4.3Å; F17-F21 CarbonylContact O-C 3.52Å; F17-F21 WeakPolarHBondContact O-CA 3.5Å; F17-F21 PolarHBondContact O-N 3.42Å; F21-A23 PolarHBondContact O-N 3.23Å; F21-I24 PolarHBondContact O-N 3.35Å
22P80.3Confident85.8Confident32 Ų3266 Ų6621%0.20835%0.351CS..G310 helixtrans-61.7-22.1-178.525.3-33.7000113.2I18 K61 R62I18-P22 WeakPolarHBondContact O-CB 3.48Å; I18-P22 WeakPolarHBondContact O-CD 3.31Å; P22-K61 HydrophobicContact CB-CB 4.01Å; P22-R62 HydrophobicContact CB-CB 4.41Å
23A77.3Confident85.7Confident38 Ų3859.3 Ų59.331%0.31433%0.326SS..G310 helixtrans-78.1-24.3-178.400000115.5F21F21-A23 PolarHBondContact O-N 3.23Å
24I81.9Confident85.5Confident132 Ų13255.9 Ų55.968%0.67731%0.308SS*.G310 helixtrans-119.832.4-167.9-40.5176.8000109.5F21 P26F21-I24 PolarHBondContact O-N 3.35Å; I24-P26 VanDerWaalsContact O-CD 3.32Å; I24-P26 WeakPolarHBondContact O-CD 3.41Å
25M80.3Confident85.2Confident13 Ų1357.9 Ų57.96%0.06433%0.325CS..  trans-69.9122.5-177.7-162.566.816600110I18 F29 L33 L58I18-M25 HydrophobicContact CD1-CE 4.46Å; I18-M25 HydrophobicContact CG1-CE 3.94Å; M25-F29 HydrophobicContact CE-CB 3.85Å; M25-F29 HydrophobicContact CE-CD2 3.84Å; M25-F29 HydrophobicContact CE-CG 4.38Å; M25-F29 HydrophobicContact SD-CD2 4.3Å; M25-L33 HydrophobicContact CE-CD1 4.47Å; M25-L58 HydrophobicContact CB-CD1 4.02Å; M25-L58 HydrophobicContact CE-CD1 4.3Å; M25-L58 HydrophobicContact CG-CD1 3.74Å; M25-L58 HydrophobicContact SD-CD1 4.12Å
26P83.5Confident85Confident51 Ų5157 Ų5733%0.33132%0.318SS..  trans-63.9140.1178-20.232.1000111.5I24 S28 F29 L30I24-P26 VanDerWaalsContact O-CD 3.32Å; I24-P26 WeakPolarHBondContact O-CD 3.41Å; P26-S28 PolarHBondContact O-N 3.38Å; P26-F29 HydrophobicContact CB-CD1 4.42Å; P26-F29 HydrophobicContact CB-CG 4.47Å; P26-F29 HydrophobicContact CG-CD1 4.48Å; P26-F29 HydrophobicContact CG-CG 4.38Å; P26-F29 PolarHBondContact O-N 2.87Å; P26-L30 PolarHBondContact O-N 3.44Å
27S82.2Confident84.8Confident63 Ų6351.4 Ų51.444%0.44129%0.292SS..Hα-helixtrans-59.6-29.8175.655.50000112.9F29 L30 N31S27-F29 PolarHBondContact O-N 2.66Å; S27-L30 WeakPolarHBondContact O-CB 3.42Å; S27-L30 PolarHBondContact O-N 3.1Å; S27-N31 WeakPolarHBondContact O-CB 3.34Å; S27-N31 VanDerWaalsContact O-CG 3.28Å; S27-N31 PolarHBondContact O-N 3.48Å; S27-N31 PolarHBondContact O-ND2 3.45Å
28S86.5Confident84.3Confident72 Ų7250.2 Ų50.250%0.50329%0.294SS..Hα-helixtrans-62.2-40173.754.90000112.7P26 A32P26-S28 PolarHBondContact O-N 3.38Å; S28-A32 VanDerWaalsContact O-CB 3.32Å; S28-A32 WeakPolarHBondContact O-CB 3.24Å; S28-A32 PolarHBondContact O-N 3.08Å
29F86.9Confident83.4Confident53 Ų5351.6 Ų51.623%0.23230%0.304CS..Hα-helixtrans-70.5-40.2177.9-76.821.9000110.6F14 M25 P26 S27 A32 L33F14-F29 AromaticContact CD1-CD2 3.76Å; F14-F29 HydrophobicContact CD1-CD2 3.76Å; F14-F29 AromaticContact CD1-CE2 3.71Å; F14-F29 HydrophobicContact CD1-CE2 3.71Å; F14-F29 HydrophobicContact CD1-CZ 4.47Å; F14-F29 HydrophobicContact CE1-CD1 4.21Å; F14-F29 AromaticContact CE1-CD2 3.39Å; F14-F29 HydrophobicContact CE1-CD2 3.39Å; F14-F29 HydrophobicContact CE1-CE1 4.12Å; F14-F29 AromaticContact CE1-CE2 3.29Å; F14-F29 HydrophobicContact CE1-CE2 3.29Å; F14-F29 AromaticContact CE1-CG 3.87Å; F14-F29 HydrophobicContact CE1-CG 3.87Å; F14-F29 AromaticContact CE1-CZ 3.68Å; F14-F29 HydrophobicContact CE1-CZ 3.68Å; F14-F29 HydrophobicContact CE2-CB 4.49Å; F14-F29 HydrophobicContact CE2-CD2 4.48Å; F14-F29 HydrophobicContact CE2-CG 4.45Å; F14-F29 HydrophobicContact CG-CD2 4.46Å; F14-F29 HydrophobicContact CZ-CB 4.27Å; F14-F29 HydrophobicContact CZ-CD1 4.08Å; F14-F29 AromaticContact CZ-CD2 3.8Å; F14-F29 HydrophobicContact CZ-CD2 3.8Å; F14-F29 HydrophobicContact CZ-CE1 4.34Å; F14-F29 HydrophobicContact CZ-CE2 4.08Å; F14-F29 AromaticContact CZ-CG 3.8Å; F14-F29 HydrophobicContact CZ-CG 3.8Å; F14-F29 HydrophobicContact CZ-CZ 4.34Å; M25-F29 HydrophobicContact CE-CB 3.85Å; M25-F29 HydrophobicContact CE-CD2 3.84Å; M25-F29 HydrophobicContact CE-CG 4.38Å; M25-F29 HydrophobicContact SD-CD2 4.3Å; P26-F29 HydrophobicContact CB-CD1 4.42Å; P26-F29 HydrophobicContact CB-CG 4.47Å; P26-F29 HydrophobicContact CG-CD1 4.48Å; P26-F29 HydrophobicContact CG-CG 4.38Å; P26-F29 PolarHBondContact O-N 2.87Å; S27-F29 PolarHBondContact O-N 2.66Å; F29-A32 PolarHBondContact O-N 3.47Å; F29-L33 WeakPolarHBondContact O-CB 3.45Å; F29-L33 WeakPolarHBondContact O-CG 3.46Å; F29-L33 PolarHBondContact O-N 2.59Å
30L85.2Confident82Confident4 Ų449 Ų492%0.02129%0.292CS..Hα-helixtrans-59-50.2174.5-100.3159.4000111.9P26 S27 A32 L33 L34 L55 L58 F67P26-L30 PolarHBondContact O-N 3.44Å; S27-L30 WeakPolarHBondContact O-CB 3.42Å; S27-L30 PolarHBondContact O-N 3.1Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.31Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-L34 HydrophobicContact CD2-CD1 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CD1 3.06Å; L30-L34 PolarHBondContact O-N 3.05Å; L30-L55 HydrophobicContact CD2-CD2 3.89Å; L30-L58 HydrophobicContact CD1-CD2 4.3Å; L30-L58 HydrophobicContact CD2-CD2 3.74Å; L30-L58 HydrophobicContact CG-CD2 4.1Å; L30-F67 HydrophobicContact CD1-CD2 4.18Å; L30-F67 HydrophobicContact CD2-CD2 3.37Å; L30-F67 HydrophobicContact CD2-CE2 3.36Å; L30-F67 HydrophobicContact CD2-CG 4.4Å; L30-F67 HydrophobicContact CD2-CZ 4.38Å; L30-F67 HydrophobicContact CG-CD2 4.41Å
31N86.3Confident80.5Confident88 Ų8845.6 Ų45.647%0.47127%0.272SS..Hα-helixtrans-65.4-37.2178.6-69.7-23.6000112S27 L34 S35S27-N31 WeakPolarHBondContact O-CB 3.34Å; S27-N31 VanDerWaalsContact O-CG 3.28Å; S27-N31 PolarHBondContact O-N 3.48Å; S27-N31 PolarHBondContact O-ND2 3.45Å; N31-L34 PolarHBondContact O-N 2.97Å; N31-S35 WeakPolarHBondContact O-CB 3.15Å; N31-S35 PolarHBondContact O-N 2.79Å; N31-S35 PolarHBondContact O-OG 2.74Å
32A87.7Confident79Confident38 Ų3843 Ų4331%0.31427%0.268SS..Hα-helixtrans-63.1-48.8174.300000111.3S28 F29 L30 L34 S35 I36S28-A32 VanDerWaalsContact O-CB 3.32Å; S28-A32 WeakPolarHBondContact O-CB 3.24Å; S28-A32 PolarHBondContact O-N 3.08Å; F29-A32 PolarHBondContact O-N 3.47Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.31Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 3.33Å; A32-S35 PolarHBondContact O-N 2.69Å; A32-S35 PolarHBondContact O-OG 3.3Å; A32-I36 WeakPolarHBondContact O-CG1 3.42Å; A32-I36 PolarHBondContact O-N 3.38Å
33L87.9Confident77.7Confident0 Ų050.8 Ų50.80%030%0.301CS..Hα-helixtrans-60.7-41.1175.3-79.6173.4000112.3L11 F14 M25 F29 L30 S35 I36 A37 L54 L55L11-L33 HydrophobicContact CD2-CD2 3.95Å; F14-L33 HydrophobicContact CD2-CD1 4.01Å; F14-L33 HydrophobicContact CD2-CD2 3.85Å; F14-L33 HydrophobicContact CD2-CG 3.83Å; F14-L33 HydrophobicContact CE2-CD2 4.28Å; F14-L33 HydrophobicContact CE2-CG 4.01Å; M25-L33 HydrophobicContact CE-CD1 4.47Å; F29-L33 WeakPolarHBondContact O-CB 3.45Å; F29-L33 WeakPolarHBondContact O-CG 3.46Å; F29-L33 PolarHBondContact O-N 2.59Å; L30-L33 PolarHBondContact O-N 3.32Å; L33-S35 VanDerWaalsContact C-N 3.35Å; L33-I36 PolarHBondContact O-N 2.99Å; L33-A37 WeakPolarHBondContact O-CB 3.26Å; L33-A37 PolarHBondContact O-N 2.93Å; L33-L54 HydrophobicContact CD1-CB 4.39Å; L33-L54 HydrophobicContact CD2-CB 4.29Å; L33-L54 HydrophobicContact CD2-CD1 4.05Å; L33-L55 HydrophobicContact CB-CD1 4.18Å; L33-L55 HydrophobicContact CB-CD2 3.68Å; L33-L55 HydrophobicContact CB-CG 3.82Å; L33-L55 HydrophobicContact CD1-CD2 4.15Å; L33-L55 HydrophobicContact CD1-CG 4.45Å
34L86.4Confident76.8Confident9 Ų957.3 Ų57.35%0.04733%0.325CS..Hα-helixtrans-63-41.5175.2-104.3109.3000111.9L30 N31 A32 I36 A37 S38 L55 P68 Q71L30-L34 HydrophobicContact CD2-CD1 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CD1 3.06Å; L30-L34 PolarHBondContact O-N 3.05Å; N31-L34 PolarHBondContact O-N 2.97Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 3.33Å; L34-I36 VanDerWaalsContact C-N 3.35Å; L34-I36 PolarHBondContact O-N 3.48Å; L34-A37 PolarHBondContact O-N 3.15Å; L34-S38 VanDerWaalsContact O-CB 3.22Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.23Å; L34-S38 PolarHBondContact O-OG 3.43Å; L34-L55 HydrophobicContact CD1-CD1 4.31Å; L34-L55 HydrophobicContact CD1-CD2 4.13Å; L34-L55 HydrophobicContact CG-CD1 4.14Å; L34-P68 HydrophobicContact CD1-CG 3.44Å; L34-P68 VanDerWaalsContact CD1-CG 3.44Å; L34-P68 HydrophobicContact CD2-CG 4.18Å; L34-P68 HydrophobicContact CG-CG 4.44Å; L34-Q71 HydrophobicContact CD2-CB 3.41Å; L34-Q71 VanDerWaalsContact CD2-CB 3.41Å
35S83.8Confident76.2Confident67 Ų6752.8 Ų52.847%0.46930%0.302SS..Hα-helixtrans-61.6-44.3176.871.50000111.6N31 A32 L33 A37 S38 S39N31-S35 WeakPolarHBondContact O-CB 3.15Å; N31-S35 PolarHBondContact O-N 2.79Å; N31-S35 PolarHBondContact O-OG 2.74Å; A32-S35 PolarHBondContact O-N 2.69Å; A32-S35 PolarHBondContact O-OG 3.3Å; L33-S35 VanDerWaalsContact C-N 3.35Å; S35-A37 PolarHBondContact O-N 2.94Å; S35-S38 WeakPolarHBondContact CA-OG 3.1Å; S35-S38 PolarHBondContact O-N 3.41Å; S35-S38 PolarHBondContact O-OG 3.2Å; S35-S39 PolarHBondContact O-N 3.06Å
36I85.1Confident76.1Confident32 Ų3255.5 Ų55.516%0.16432%0.323CS..Hα-helixtrans-63.9-38.8175-62.9164.5000111.6A32 L33 L34 S39 A48A32-I36 WeakPolarHBondContact O-CG1 3.42Å; A32-I36 PolarHBondContact O-N 3.38Å; L33-I36 PolarHBondContact O-N 2.99Å; L34-I36 VanDerWaalsContact C-N 3.35Å; L34-I36 PolarHBondContact O-N 3.48Å; I36-S39 PolarHBondContact O-OG 3.31Å; I36-A48 WeakPolarHBondContact O-CA 3.37Å; I36-A48 WeakPolarHBondContact O-CB 3.48Å
37A83.7Confident76.1Confident3 Ų353.4 Ų53.43%0.02531%0.308CS..Hα-helixtrans-72.8-34.3177.800000112.1L33 L34 S35 S39 S40 L52 L55L33-A37 WeakPolarHBondContact O-CB 3.26Å; L33-A37 PolarHBondContact O-N 2.93Å; L34-A37 PolarHBondContact O-N 3.15Å; S35-A37 PolarHBondContact O-N 2.94Å; A37-S39 VanDerWaalsContact C-N 3.31Å; A37-S39 PolarHBondContact O-N 3.06Å; A37-S40 WeakPolarHBondContact O-CB 3.4Å; A37-S40 PolarHBondContact O-OG 3.28Å; A37-L52 HydrophobicContact CB-CB 4.22Å; A37-L52 HydrophobicContact CB-CD1 4.27Å; A37-L55 HydrophobicContact CB-CD1 3.83Å
38S77.9Confident76.1Confident55 Ų5550.6 Ų50.639%0.38529%0.289SS..Hα-helixtrans-74-19.5-178.369.80000114L34 S35 S40L34-S38 VanDerWaalsContact O-CB 3.22Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.23Å; L34-S38 PolarHBondContact O-OG 3.43Å; S35-S38 WeakPolarHBondContact CA-OG 3.1Å; S35-S38 PolarHBondContact O-N 3.41Å; S35-S38 PolarHBondContact O-OG 3.2Å; S38-S40 PolarHBondContact O-N 3.48Å
39S69.2Low76Confident30 Ų3049.7 Ų49.721%0.2128%0.281CS..G310 helixtrans-73.4-1.817761.90000113.6S35 I36 A37 F41 S42S35-S39 PolarHBondContact O-N 3.06Å; I36-S39 PolarHBondContact O-OG 3.31Å; A37-S39 VanDerWaalsContact C-N 3.31Å; A37-S39 PolarHBondContact O-N 3.06Å; S39-F41 PolarHBondContact O-N 2.75Å; S39-S42 PolarHBondContact O-N 2.95Å; S39-S42 PolarHBondContact O-OG 3.23Å
40S57Low76Confident23 Ų2350.6 Ų50.616%0.16129%0.288CS..G310 helixtrans-56.6-8.8-175.264.60000116.1A37 S38 Q82A37-S40 WeakPolarHBondContact O-CB 3.4Å; A37-S40 PolarHBondContact O-OG 3.28Å; S38-S40 PolarHBondContact O-N 3.48Å; S40-Q82 PolarHBondContact O-OE1 3.21Å
41F55.2Low76.2Confident47 Ų4750.4 Ų50.421%0.20629%0.287CS..G310 helixtrans-83.6-24.1175.3-74.6-89000114.7S39 R78 A133S39-F41 PolarHBondContact O-N 2.75Å; F41-R78 HydrophobicContact CE2-CB 3.44Å; F41-R78 VanDerWaalsContact CE2-CB 3.44Å; F41-R78 HydrophobicContact CE2-CG 3.65Å; F41-R78 HydrophobicContact CZ-CB 3.39Å; F41-R78 VanDerWaalsContact CZ-CD 3.45Å; F41-R78 HydrophobicContact CZ-CG 3.46Å; F41-R78 VanDerWaalsContact CZ-CG 3.46Å; F41-A133 HydrophobicContact CD1-CB 4.02Å; F41-A133 WeakPolarHBondContact CD1-O 3.35Å; F41-A133 HydrophobicContact CE1-CB 3.6Å
42S54Low76.3Confident54 Ų5446.5 Ų46.538%0.37827%0.266SS..SBendtrans-90.6126.617057.20000107.7S39 E44S39-S42 PolarHBondContact O-N 2.95Å; S39-S42 PolarHBondContact O-OG 3.23Å; S42-E44 PolarHBondContact O-N 3.06Å
43E53.9Low76.4Confident194 Ų19447.3 Ų47.391%0.90727%0.273SS*.THydrogen-bonded Turntrans-58.96.8174.8-67.7-172.916500113.7
44E58.1Low76.4Confident176 Ų17647.7 Ų47.782%0.82228%0.275SS*.THydrogen-bonded Turntrans-87.9-21-168.3-62.7-172165.100113.9S42S42-E44 PolarHBondContact O-N 3.06Å
45D68.7Low76.5Confident36 Ų3647.3 Ų47.319%0.19327%0.273CS..  trans-11796.1-172-149.6-3.6000113.8R7 L47 A48R7-D45 IonicContact CZ-OD1 3.14Å; R7-D45 VanDerWaalsContact CZ-OD1 3.29Å; R7-D45 IonicContact CZ-OD2 3.8Å; R7-D45 IonicContact NH1-OD1 2.74Å; R7-D45 PolarHBondContact NH1-OD1 2.89Å; R7-D45 IonicContact NH1-OD2 3.89Å; R7-D45 VanDerWaalsContact NH2-CG 3.28Å; R7-D45 IonicContact NH2-OD1 3.19Å; R7-D45 PolarHBondContact NH2-OD1 3.42Å; R7-D45 IonicContact NH2-OD2 2.73Å; R7-D45 PolarHBondContact NH2-OD2 3.48Å; D45-L47 PolarHBondContact O-N 3.23Å; D45-A48 PolarHBondContact O-N 3.25Å
46S79.1Confident76.8Confident71 Ų7144.8 Ų44.850%0.49726%0.255SS..THydrogen-bonded Turntrans-58.5-19.6-179.670.50000113.9E4E4-S46 PolarHBondContact OE1-OG 3.49Å
47L84.1Confident77Confident6 Ų646.4 Ų46.43%0.03126%0.262CS..THydrogen-bonded Turntrans-91.6-8.7-174.2-60.9178.8000114.2R7 L8 L11 D45 P49 I50 G51R7-L47 HydrophobicContact CB-CD1 3.49Å; R7-L47 VanDerWaalsContact CB-CD1 3.49Å; R7-L47 HydrophobicContact CG-CD1 4.41Å; L8-L47 HydrophobicContact CD1-CD2 3.85Å; L11-L47 HydrophobicContact CD1-CB 4.21Å; L11-L47 HydrophobicContact CD1-CD1 4.17Å; L11-L47 HydrophobicContact CD1-CD2 4.17Å; L11-L47 HydrophobicContact CD1-CG 4.43Å; D45-L47 PolarHBondContact O-N 3.23Å; L47-P49 VanDerWaalsContact C-CD 3.47Å; L47-I50 HydrophobicContact CD2-CD1 3.87Å; L47-I50 WeakPolarHBondContact O-CB 3.48Å; L47-I50 PolarHBondContact O-N 3.32Å; L47-I50 VanDerWaalsContact O-N 3.07Å; L47-G51 PolarHBondContact O-N 3.49Å
48A81.9Confident77.1Confident4 Ų446.4 Ų46.43%0.03326%0.261CS..Hα-helixtrans-54.1-45.6-179.200000113.8I36 D45 I50 G51 L52I36-A48 WeakPolarHBondContact O-CA 3.37Å; I36-A48 WeakPolarHBondContact O-CB 3.48Å; D45-A48 PolarHBondContact O-N 3.25Å; A48-I50 VanDerWaalsContact C-N 3.27Å; A48-I50 PolarHBondContact O-N 2.88Å; A48-G51 PolarHBondContact O-N 2.93Å; A48-L52 PolarHBondContact O-N 3.33Å
49P84.2Confident77.3Confident53 Ų5343.8 Ų43.834%0.34424%0.243SC..Hα-helixtrans-61-36.1177-21.832.6000113L47 L52 A53 Y79L47-P49 VanDerWaalsContact C-CD 3.47Å; P49-L52 PolarHBondContact O-N 2.9Å; P49-A53 WeakPolarHBondContact O-CB 3.27Å; P49-A53 PolarHBondContact O-N 3.34Å; P49-Y79 HydrophobicContact CB-CE2 4.21Å; P49-Y79 HydrophobicContact CG-CE2 4.05Å
50I87.1Confident78.1Confident73 Ų7345.7 Ų45.737%0.37425%0.254SS..Hα-helixtrans-69.9-45179.4-56.5176.6000109.1L8 L11 L47 A48 L52 A53 L54L8-I50 HydrophobicContact CD1-CD1 4.31Å; L11-I50 HydrophobicContact CD1-CB 4.4Å; L11-I50 HydrophobicContact CD1-CG2 4.01Å; L47-I50 HydrophobicContact CD2-CD1 3.87Å; L47-I50 WeakPolarHBondContact O-CB 3.48Å; L47-I50 PolarHBondContact O-N 3.32Å; L47-I50 VanDerWaalsContact O-N 3.07Å; A48-I50 VanDerWaalsContact C-N 3.27Å; A48-I50 PolarHBondContact O-N 2.88Å; I50-L52 VanDerWaalsContact C-N 3.32Å; I50-L52 PolarHBondContact O-N 3.07Å; I50-A53 PolarHBondContact O-N 3.07Å; I50-L54 HydrophobicContact CG2-CD1 4.47Å; I50-L54 WeakPolarHBondContact O-CG 3.28Å; I50-L54 PolarHBondContact O-N 3.29Å
51G88Confident79.2Confident0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-56.9-44.9174.400000112.4L47 A48 L54 L55L47-G51 PolarHBondContact O-N 3.49Å; A48-G51 PolarHBondContact O-N 2.93Å; G51-L54 PolarHBondContact O-N 3.43Å; G51-L55 PolarHBondContact O-N 2.84Å
52L89.1Confident79.9Confident5 Ų553 Ų533%0.02628%0.279CS..Hα-helixtrans-64.4-41.3176.3-174.268.4000112.4A37 A48 P49 I50 L54 L55 C56 F72 C75 I76 Y79 L92A37-L52 HydrophobicContact CB-CB 4.22Å; A37-L52 HydrophobicContact CB-CD1 4.27Å; A48-L52 PolarHBondContact O-N 3.33Å; P49-L52 PolarHBondContact O-N 2.9Å; I50-L52 VanDerWaalsContact C-N 3.32Å; I50-L52 PolarHBondContact O-N 3.07Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 2.77Å; L52-L55 PolarHBondContact O-N 3.24Å; L52-C56 PolarHBondContact O-N 3.23Å; L52-C56 PolarHBondContact O-SG 2.87Å; L52-F72 HydrophobicContact CD1-CE2 3.97Å; L52-C75 HydrophobicContact CD1-CB 4.46Å; L52-I76 HydrophobicContact CD1-CG1 3.98Å; L52-Y79 HydrophobicContact CD2-CD1 3.42Å; L52-Y79 VanDerWaalsContact CD2-CD1 3.42Å; L52-Y79 HydrophobicContact CD2-CD2 4.03Å; L52-Y79 HydrophobicContact CD2-CE1 4.08Å; L52-Y79 HydrophobicContact CD2-CG 3.39Å; L52-L92 HydrophobicContact CD2-CD2 4.15Å
53A89.5Confident80.4Confident56 Ų5650.7 Ų50.746%0.46326%0.262SS..Hα-helixtrans-61.3-41.9177.200000111.8P49 I50 C56 E57P49-A53 WeakPolarHBondContact O-CB 3.27Å; P49-A53 PolarHBondContact O-N 3.34Å; I50-A53 PolarHBondContact O-N 3.07Å; A53-C56 WeakPolarHBondContact O-CB 3.46Å; A53-C56 PolarHBondContact O-N 3.45Å; A53-E57 PolarHBondContact O-N 2.98Å
54L89Confident80.7Confident8 Ų842.4 Ų42.44%0.04223%0.225CC..Hα-helixtrans-64.7-40.6175.4-65.2174.9000112.1L11 F14 V15 I18 L33 I50 G51 L52 C56 E57 L58L11-L54 HydrophobicContact CB-CD1 4.2Å; L11-L54 HydrophobicContact CD2-CD1 3.67Å; F14-L54 HydrophobicContact CB-CD1 4.35Å; V15-L54 HydrophobicContact CB-CD2 4.31Å; V15-L54 HydrophobicContact CG2-CD2 3.28Å; I18-L54 HydrophobicContact CD1-CB 3.92Å; I18-L54 HydrophobicContact CD1-CD2 4.2Å; L33-L54 HydrophobicContact CD1-CB 4.39Å; L33-L54 HydrophobicContact CD2-CB 4.29Å; L33-L54 HydrophobicContact CD2-CD1 4.05Å; I50-L54 HydrophobicContact CG2-CD1 4.47Å; I50-L54 WeakPolarHBondContact O-CG 3.28Å; I50-L54 PolarHBondContact O-N 3.29Å; G51-L54 PolarHBondContact O-N 3.43Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 2.77Å; L54-C56 VanDerWaalsContact C-N 3.33Å; L54-E57 PolarHBondContact O-N 3.17Å; L54-L58 WeakPolarHBondContact O-CB 3.19Å; L54-L58 PolarHBondContact O-N 2.9Å
55L88.8Confident80.8Confident0 Ų039.9 Ų39.90%022%0.223CC..Hα-helixtrans-62.8-40.7173.5-73.9171.4000111.7L30 L33 L34 A37 G51 L52 L58 A59 F67 F72L30-L55 HydrophobicContact CD2-CD2 3.89Å; L33-L55 HydrophobicContact CB-CD1 4.18Å; L33-L55 HydrophobicContact CB-CD2 3.68Å; L33-L55 HydrophobicContact CB-CG 3.82Å; L33-L55 HydrophobicContact CD1-CD2 4.15Å; L33-L55 HydrophobicContact CD1-CG 4.45Å; L34-L55 HydrophobicContact CD1-CD1 4.31Å; L34-L55 HydrophobicContact CD1-CD2 4.13Å; L34-L55 HydrophobicContact CG-CD1 4.14Å; A37-L55 HydrophobicContact CB-CD1 3.83Å; G51-L55 PolarHBondContact O-N 2.84Å; L52-L55 PolarHBondContact O-N 3.24Å; L55-L58 PolarHBondContact O-N 3.2Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.32Å; L55-F67 HydrophobicContact CD2-CE2 4.45Å; L55-F72 HydrophobicContact CB-CD2 3.95Å; L55-F72 HydrophobicContact CB-CE2 3.36Å; L55-F72 HydrophobicContact CB-CZ 4Å; L55-F72 HydrophobicContact CD1-CD2 4.03Å; L55-F72 HydrophobicContact CD1-CE2 4.17Å; L55-F72 HydrophobicContact CG-CE2 4.35Å
56C89.8Confident80.6Confident14 Ų1444.9 Ų44.910%0.09525%0.246CC..Hα-helixtrans-62.1-44.2174.9-66.70000111.5L52 A53 L54 A59 V60 V95L52-C56 PolarHBondContact O-N 3.23Å; L52-C56 PolarHBondContact O-SG 2.87Å; A53-C56 WeakPolarHBondContact O-CB 3.46Å; A53-C56 PolarHBondContact O-N 3.45Å; L54-C56 VanDerWaalsContact C-N 3.33Å; C56-A59 PolarHBondContact O-N 3.32Å; C56-V60 WeakPolarHBondContact O-CG2 3.48Å; C56-V60 PolarHBondContact O-N 3.2Å; C56-V95 HydrophobicContact CB-CG1 4.2Å; C56-V95 HydrophobicContact CB-CG2 4.27Å
57E87.9Confident80.3Confident67 Ų6741.8 Ų41.831%0.31322%0.223SC..Hα-helixtrans-64.4-43178.3-169.3178.8174.700112I18 N19 A53 L54 A59 V60 K61I18-E57 HydrophobicContact CG2-CG 4.26Å; N19-E57 PolarHBondContact OD1-OE1 3.32Å; A53-E57 PolarHBondContact O-N 2.98Å; L54-E57 PolarHBondContact O-N 3.17Å; E57-A59 VanDerWaalsContact C-N 3.34Å; E57-V60 PolarHBondContact O-N 2.6Å; E57-K61 HydrophobicContact CG-CD 4.33Å; E57-K61 PolarHBondContact O-N 3.24Å; E57-K61 IonicContact OE1-NZ 3.56Å; E57-K61 PolarHBondContact OE1-NZ 3.19Å
58L86.3Confident79.8Confident2 Ų242.7 Ų42.71%0.0123%0.23CC..Hα-helixtrans-60.7-45.7173.7-173.4100.2000110.9I18 M25 L30 L54 L55 V60 K61 R62 F67I18-L58 HydrophobicContact CB-CD1 4.47Å; I18-L58 HydrophobicContact CD1-CB 4.35Å; I18-L58 HydrophobicContact CD1-CD1 4.44Å; I18-L58 HydrophobicContact CG1-CB 4.44Å; I18-L58 HydrophobicContact CG1-CD1 3.75Å; I18-L58 HydrophobicContact CG2-CB 4.34Å; I18-L58 HydrophobicContact CG2-CD1 4.3Å; M25-L58 HydrophobicContact CB-CD1 4.02Å; M25-L58 HydrophobicContact CE-CD1 4.3Å; M25-L58 HydrophobicContact CG-CD1 3.74Å; M25-L58 HydrophobicContact SD-CD1 4.12Å; L30-L58 HydrophobicContact CD1-CD2 4.3Å; L30-L58 HydrophobicContact CD2-CD2 3.74Å; L30-L58 HydrophobicContact CG-CD2 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.19Å; L54-L58 PolarHBondContact O-N 2.9Å; L55-L58 PolarHBondContact O-N 3.2Å; L58-V60 VanDerWaalsContact C-N 3.28Å; L58-V60 PolarHBondContact O-N 3.35Å; L58-K61 PolarHBondContact O-N 3.49Å; L58-K61 VanDerWaalsContact O-N 3.17Å; L58-R62 CarbonylContact O-C 3.06Å; L58-R62 PolarHBondContact O-N 3.3Å; L58-F67 HydrophobicContact CD2-CD2 3.9Å; L58-F67 HydrophobicContact CD2-CE2 3.74Å
59A83Confident79.5Confident0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-60.5-38.1-178.100000112.1L55 C56 E57 F67 F72 L99L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.32Å; C56-A59 PolarHBondContact O-N 3.32Å; E57-A59 VanDerWaalsContact C-N 3.34Å; A59-F67 HydrophobicContact CB-CZ 4.29Å; A59-F72 HydrophobicContact CB-CE1 3.66Å; A59-F72 HydrophobicContact CB-CZ 4.1Å; A59-L99 HydrophobicContact CB-CD2 3.7Å
60V84.4Confident79.1Confident71 Ų7141.8 Ų41.843%0.4323%0.225SC..Hα-helixtrans-72.4-40.2174.6174.50000112.1C56 E57 L58 V95C56-V60 WeakPolarHBondContact O-CG2 3.48Å; C56-V60 PolarHBondContact O-N 3.2Å; E57-V60 PolarHBondContact O-N 2.6Å; L58-V60 VanDerWaalsContact C-N 3.28Å; L58-V60 PolarHBondContact O-N 3.35Å; V60-V95 HydrophobicContact CG2-CG2 4.35Å
61K82.1Confident78.7Confident93 Ų9343.6 Ų43.640%0.40423%0.231SC..Hα-helixtrans-72.3-39.8-176.7-81177.2172.1159.20113I18 N19 P22 E57 L58I18-K61 HydrophobicContact CG2-CD 4.1Å; N19-K61 PolarHBondContact OD1-NZ 3.07Å; P22-K61 HydrophobicContact CB-CB 4.01Å; E57-K61 HydrophobicContact CG-CD 4.33Å; E57-K61 PolarHBondContact O-N 3.24Å; E57-K61 IonicContact OE1-NZ 3.56Å; E57-K61 PolarHBondContact OE1-NZ 3.19Å; L58-K61 PolarHBondContact O-N 3.49Å; L58-K61 VanDerWaalsContact O-N 3.17Å
62R69.7Low78.5Confident129 Ų12943.6 Ų43.649%0.48723%0.231SC..  trans-171.6118.7172.6-174.9163.9164.7168.9-1.9111.3P22 L58 T64P22-R62 HydrophobicContact CB-CB 4.41Å; L58-R62 CarbonylContact O-C 3.06Å; L58-R62 PolarHBondContact O-N 3.3Å; R62-T64 PolarHBondContact O-N 3.35Å
63M63.8Low78.3Confident7 Ų743.4 Ų43.43%0.03423%0.23CC..  trans-83.5107.7166.4-149.2169.4-167.100110F67 L99 L103 K106M63-F67 HydrophobicContact CE-CD1 3.29Å; M63-F67 HydrophobicContact CE-CE1 3.62Å; M63-F67 HydrophobicContact CE-CG 4.19Å; M63-F67 HydrophobicContact CG-CB 3.94Å; M63-F67 HydrophobicContact CG-CD1 4.02Å; M63-F67 HydrophobicContact CG-CG 3.97Å; M63-L99 HydrophobicContact CE-CD2 3.79Å; M63-L99 HydrophobicContact SD-CD2 3.48Å; M63-L99 WeakPolarHBondContact SD-CD2 3.45Å; M63-L103 HydrophobicContact CE-CD1 4.06Å; M63-L103 HydrophobicContact CE-CD2 3.82Å; M63-L103 HydrophobicContact CE-CG 4.18Å; M63-L103 HydrophobicContact SD-CD1 4.22Å; M63-L103 HydrophobicContact SD-CD2 3.42Å; M63-L103 WeakPolarHBondContact SD-CD2 3.26Å; M63-L103 HydrophobicContact SD-CG 3.72Å; M63-K106 PolarHBondContact O-NZ 2.88Å
64T61.1Low78Confident19 Ų1941.2 Ų41.212%0.11721%0.211CC..  trans-73.7152.4171.551.30000110.1R62 E66 F67R62-T64 PolarHBondContact O-N 3.35Å; T64-E66 PolarHBondContact O-N 3.03Å; T64-E66 VanDerWaalsContact O-N 3.15Å; T64-F67 WeakPolarHBondContact O-CB 3.37Å; T64-F67 PolarHBondContact O-N 3.17Å
65P59.4Low77.7Confident123 Ų12341.1 Ų41.180%0.79921%0.212SC*.THydrogen-bonded Turntrans-60.8-22.9178.224.2-33.5000113.2F67P65-F67 VanDerWaalsContact C-N 3.27Å
66E64.1Low77.7Confident142 Ų14241.1 Ų41.166%0.66421%0.212SC*.THydrogen-bonded Turntrans-79.7-6.4175.1-62.4-178.8-174.300113.5T64 P68T64-E66 PolarHBondContact O-N 3.03Å; T64-E66 VanDerWaalsContact O-N 3.15Å; E66-P68 WeakPolarHBondContact O-CD 3.42Å
67F72.4Confident77.6Confident5 Ų540.5 Ų40.52%0.02221%0.207CC..SBendtrans-66.1124.3-179.2-171.1-84.2000109.8L30 L55 L58 A59 M63 T64 P65 G69 F72L30-F67 HydrophobicContact CD1-CD2 4.18Å; L30-F67 HydrophobicContact CD2-CD2 3.37Å; L30-F67 HydrophobicContact CD2-CE2 3.36Å; L30-F67 HydrophobicContact CD2-CG 4.4Å; L30-F67 HydrophobicContact CD2-CZ 4.38Å; L30-F67 HydrophobicContact CG-CD2 4.41Å; L55-F67 HydrophobicContact CD2-CE2 4.45Å; L58-F67 HydrophobicContact CD2-CD2 3.9Å; L58-F67 HydrophobicContact CD2-CE2 3.74Å; A59-F67 HydrophobicContact CB-CZ 4.29Å; M63-F67 HydrophobicContact CE-CD1 3.29Å; M63-F67 HydrophobicContact CE-CE1 3.62Å; M63-F67 HydrophobicContact CE-CG 4.19Å; M63-F67 HydrophobicContact CG-CB 3.94Å; M63-F67 HydrophobicContact CG-CD1 4.02Å; M63-F67 HydrophobicContact CG-CG 3.97Å; T64-F67 WeakPolarHBondContact O-CB 3.37Å; T64-F67 PolarHBondContact O-N 3.17Å; P65-F67 VanDerWaalsContact C-N 3.27Å; F67-G69 PolarHBondContact O-N 3.11Å; F67-F72 HydrophobicContact CE1-CB 3.5Å; F67-F72 AromaticContact CE1-CD1 3.34Å; F67-F72 HydrophobicContact CE1-CD1 3.34Å; F67-F72 HydrophobicContact CE1-CE1 4.12Å; F67-F72 AromaticContact CE1-CG 3.57Å; F67-F72 HydrophobicContact CE1-CG 3.57Å; F67-F72 HydrophobicContact CZ-CB 3.84Å; F67-F72 AromaticContact CZ-CD1 3.43Å; F67-F72 HydrophobicContact CZ-CD1 3.43Å; F67-F72 VanDerWaalsContact CZ-CD1 3.43Å; F67-F72 HydrophobicContact CZ-CD2 4.14Å; F67-F72 AromaticContact CZ-CE1 3.85Å; F67-F72 HydrophobicContact CZ-CE1 3.85Å; F67-F72 AromaticContact CZ-CG 3.53Å; F67-F72 HydrophobicContact CZ-CG 3.53Å; F67-F72 HydrophobicContact CZ-CZ 4.42Å
68P73.4Confident77.3Confident25 Ų2541.4 Ų41.416%0.16221%0.208CC..  trans-76.470.3-177.732.3-35.4000110.6L34 E66 S70 Q71 F72L34-P68 HydrophobicContact CD1-CG 3.44Å; L34-P68 VanDerWaalsContact CD1-CG 3.44Å; L34-P68 HydrophobicContact CD2-CG 4.18Å; L34-P68 HydrophobicContact CG-CG 4.44Å; E66-P68 WeakPolarHBondContact O-CD 3.42Å; P68-S70 VanDerWaalsContact C-N 3.32Å; P68-S70 PolarHBondContact O-N 3.08Å; P68-Q71 HydrophobicContact CB-CB 4.42Å; P68-Q71 PolarHBondContact O-N 3.24Å; P68-Q71 VanDerWaalsContact O-N 3.17Å; P68-F72 PolarHBondContact O-N 3.29Å
69G76Confident77.3Confident0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-54.7-41.1-171.500000113.8F67 F72 L73 Y108F67-G69 PolarHBondContact O-N 3.11Å; G69-F72 PolarHBondContact O-N 2.93Å; G69-L73 VanDerWaalsContact O-CB 3.31Å; G69-L73 WeakPolarHBondContact O-CB 3.4Å; G69-L73 WeakPolarHBondContact O-CG 3.2Å; G69-L73 PolarHBondContact O-N 3.45Å; G69-Y108 PolarHBondContact N-OH 3.46Å
70S75.8Confident77.6Confident39 Ų3943.3 Ų43.327%0.27322%0.216SC..Hα-helixtrans-66.7-42.6179.356.60000113.3P68 S74P68-S70 VanDerWaalsContact C-N 3.32Å; P68-S70 PolarHBondContact O-N 3.08Å; S70-S74 WeakPolarHBondContact O-CB 3.42Å; S70-S74 PolarHBondContact O-N 3.24Å
71Q79Confident77.6Confident111 Ų11140 Ų4052%0.51920%0.195SC..Hα-helixtrans-69-38.2177.5-69.9177-800111L34 P68 S74 C75L34-Q71 HydrophobicContact CD2-CB 3.41Å; L34-Q71 VanDerWaalsContact CD2-CB 3.41Å; P68-Q71 HydrophobicContact CB-CB 4.42Å; P68-Q71 PolarHBondContact O-N 3.24Å; P68-Q71 VanDerWaalsContact O-N 3.17Å; Q71-S74 WeakPolarHBondContact O-CB 3.39Å; Q71-S74 PolarHBondContact O-N 3.13Å; Q71-C75 PolarHBondContact O-N 3.4Å; Q71-C75 PolarHBondContact O-SG 3.17Å
72F84.6Confident77.6Confident0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-64.8-45.7175.4176.3-125.8000112.1L52 L55 A59 F67 P68 G69 S74 C75 I76 L99L52-F72 HydrophobicContact CD1-CE2 3.97Å; L55-F72 HydrophobicContact CB-CD2 3.95Å; L55-F72 HydrophobicContact CB-CE2 3.36Å; L55-F72 HydrophobicContact CB-CZ 4Å; L55-F72 HydrophobicContact CD1-CD2 4.03Å; L55-F72 HydrophobicContact CD1-CE2 4.17Å; L55-F72 HydrophobicContact CG-CE2 4.35Å; A59-F72 HydrophobicContact CB-CE1 3.66Å; A59-F72 HydrophobicContact CB-CZ 4.1Å; F67-F72 HydrophobicContact CE1-CB 3.5Å; F67-F72 AromaticContact CE1-CD1 3.34Å; F67-F72 HydrophobicContact CE1-CD1 3.34Å; F67-F72 HydrophobicContact CE1-CE1 4.12Å; F67-F72 AromaticContact CE1-CG 3.57Å; F67-F72 HydrophobicContact CE1-CG 3.57Å; F67-F72 HydrophobicContact CZ-CB 3.84Å; F67-F72 AromaticContact CZ-CD1 3.43Å; F67-F72 HydrophobicContact CZ-CD1 3.43Å; F67-F72 VanDerWaalsContact CZ-CD1 3.43Å; F67-F72 HydrophobicContact CZ-CD2 4.14Å; F67-F72 AromaticContact CZ-CE1 3.85Å; F67-F72 HydrophobicContact CZ-CE1 3.85Å; F67-F72 AromaticContact CZ-CG 3.53Å; F67-F72 HydrophobicContact CZ-CG 3.53Å; F67-F72 HydrophobicContact CZ-CZ 4.42Å; P68-F72 PolarHBondContact O-N 3.29Å; G69-F72 PolarHBondContact O-N 2.93Å; F72-S74 VanDerWaalsContact C-N 3.28Å; F72-S74 PolarHBondContact O-N 3.02Å; F72-C75 WeakPolarHBondContact O-CB 3.49Å; F72-C75 PolarHBondContact O-N 3.18Å; F72-C75 VanDerWaalsContact O-N 3.14Å; F72-I76 HydrophobicContact CD1-CD1 3.78Å; F72-I76 HydrophobicContact CD2-CD1 4.15Å; F72-I76 HydrophobicContact CD2-CG1 4.24Å; F72-I76 HydrophobicContact CE1-CD1 3.39Å; F72-I76 HydrophobicContact CE1-CG1 4.41Å; F72-I76 HydrophobicContact CE2-CD1 3.71Å; F72-I76 HydrophobicContact CE2-CG1 3.83Å; F72-I76 HydrophobicContact CG-CD1 4.19Å; F72-I76 HydrophobicContact CZ-CD1 3.35Å; F72-I76 HydrophobicContact CZ-CG1 3.97Å; F72-I76 WeakPolarHBondContact O-CG1 3.3Å; F72-I76 PolarHBondContact O-N 3.33Å; F72-L99 HydrophobicContact CD1-CD1 4.02Å; F72-L99 HydrophobicContact CE1-CD1 3.59Å
73L84.9Confident78.3Confident0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-59.3-41.7175.8-76.3174.2000111.4G69 I76 S77 V96 L99 F100 F116G69-L73 VanDerWaalsContact O-CB 3.31Å; G69-L73 WeakPolarHBondContact O-CB 3.4Å; G69-L73 WeakPolarHBondContact O-CG 3.2Å; G69-L73 PolarHBondContact O-N 3.45Å; L73-I76 PolarHBondContact O-N 3.1Å; L73-S77 PolarHBondContact O-N 2.79Å; L73-S77 PolarHBondContact O-OG 3.28Å; L73-V96 HydrophobicContact CD2-CG1 4.27Å; L73-V96 HydrophobicContact CD2-CG2 4.12Å; L73-L99 HydrophobicContact CD2-CD1 4.24Å; L73-F100 HydrophobicContact CD1-CE1 4.09Å; L73-F100 HydrophobicContact CD2-CE1 4.37Å; L73-F116 HydrophobicContact CB-CB 4.2Å; L73-F116 HydrophobicContact CD2-CB 4.31Å
74S82.1Confident79.2Confident10 Ų1038.7 Ų38.77%0.0720%0.197CC..Hα-helixtrans-61.4-43.8172.9168.50000112.4S70 Q71 F72 I76 S77 R78 E119S70-S74 WeakPolarHBondContact O-CB 3.42Å; S70-S74 PolarHBondContact O-N 3.24Å; Q71-S74 WeakPolarHBondContact O-CB 3.39Å; Q71-S74 PolarHBondContact O-N 3.13Å; F72-S74 VanDerWaalsContact C-N 3.28Å; F72-S74 PolarHBondContact O-N 3.02Å; S74-I76 VanDerWaalsContact C-N 3.31Å; S74-I76 PolarHBondContact O-N 3.24Å; S74-S77 VanDerWaalsContact CA-OG 3.29Å; S74-S77 WeakPolarHBondContact CA-OG 3.4Å; S74-S77 PolarHBondContact O-N 3.1Å; S74-S77 PolarHBondContact O-OG 2.93Å; S74-R78 WeakPolarHBondContact O-CB 3.42Å; S74-R78 VanDerWaalsContact O-CG 3.27Å; S74-R78 WeakPolarHBondContact O-CG 3.31Å; S74-R78 PolarHBondContact O-N 3.09Å; S74-R78 PolarHBondContact OG-NE 3.05Å; S74-R78 PolarHBondContact OG-NH2 3.32Å; S74-E119 WeakPolarHBondContact CA-OE2 3.5Å; S74-E119 WeakPolarHBondContact CB-OE1 3.47Å; S74-E119 VanDerWaalsContact OG-CD 3.3Å; S74-E119 PolarHBondContact OG-OE1 2.88Å; S74-E119 PolarHBondContact OG-OE2 3.21Å
75C84.1Confident80.3Confident7 Ų741.2 Ų41.25%0.04721%0.212CC..Hα-helixtrans-61.2-40.9174.4-66.10000111.7L52 Q71 F72 Y79L52-C75 HydrophobicContact CD1-CB 4.46Å; Q71-C75 PolarHBondContact O-N 3.4Å; Q71-C75 PolarHBondContact O-SG 3.17Å; F72-C75 WeakPolarHBondContact O-CB 3.49Å; F72-C75 PolarHBondContact O-N 3.18Å; F72-C75 VanDerWaalsContact O-N 3.14Å; C75-Y79 WeakPolarHBondContact O-CB 3.23Å; C75-Y79 PolarHBondContact O-N 3.24Å
76I88.8Confident81.5Confident0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-64-49.7176.8-66.9164.3000111.2L52 F72 L73 S74 R78 Y79 A80 L92 V96 L99 F116L52-I76 HydrophobicContact CD1-CG1 3.98Å; F72-I76 HydrophobicContact CD1-CD1 3.78Å; F72-I76 HydrophobicContact CD2-CD1 4.15Å; F72-I76 HydrophobicContact CD2-CG1 4.24Å; F72-I76 HydrophobicContact CE1-CD1 3.39Å; F72-I76 HydrophobicContact CE1-CG1 4.41Å; F72-I76 HydrophobicContact CE2-CD1 3.71Å; F72-I76 HydrophobicContact CE2-CG1 3.83Å; F72-I76 HydrophobicContact CG-CD1 4.19Å; F72-I76 HydrophobicContact CZ-CD1 3.35Å; F72-I76 HydrophobicContact CZ-CG1 3.97Å; F72-I76 WeakPolarHBondContact O-CG1 3.3Å; F72-I76 PolarHBondContact O-N 3.33Å; L73-I76 PolarHBondContact O-N 3.1Å; S74-I76 VanDerWaalsContact C-N 3.31Å; S74-I76 PolarHBondContact O-N 3.24Å; I76-R78 VanDerWaalsContact C-N 3.34Å; I76-R78 PolarHBondContact O-N 3.25Å; I76-Y79 PolarHBondContact O-N 2.95Å; I76-A80 WeakPolarHBondContact O-CB 3.2Å; I76-A80 PolarHBondContact O-N 2.91Å; I76-L92 HydrophobicContact CG2-CB 3.93Å; I76-L92 HydrophobicContact CG2-CD1 4.46Å; I76-L92 HydrophobicContact CG2-CD2 4.19Å; I76-L92 HydrophobicContact CG2-CG 4.41Å; I76-V96 HydrophobicContact CD1-CG2 4.13Å; I76-V96 HydrophobicContact CG2-CG2 3.85Å; I76-L99 HydrophobicContact CD1-CD1 4.37Å; I76-F116 HydrophobicContact CG2-CE2 4.09Å
77S86.1Confident82.6Confident0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-59.2-47-179.732.70000111.1L73 S74 A80 L81 E119L73-S77 PolarHBondContact O-N 2.79Å; L73-S77 PolarHBondContact O-OG 3.28Å; S74-S77 VanDerWaalsContact CA-OG 3.29Å; S74-S77 WeakPolarHBondContact CA-OG 3.4Å; S74-S77 PolarHBondContact O-N 3.1Å; S74-S77 PolarHBondContact O-OG 2.93Å; S77-A80 PolarHBondContact O-N 3.01Å; S77-L81 WeakPolarHBondContact O-CB 3.47Å; S77-L81 VanDerWaalsContact O-CG 3.26Å; S77-L81 WeakPolarHBondContact O-CG 3.48Å; S77-L81 PolarHBondContact O-N 2.97Å; S77-E119 WeakPolarHBondContact CB-OE2 3.23Å; S77-E119 PolarHBondContact OG-OE2 3.27Å
78R82.8Confident83.4Confident87 Ų8741.1 Ų41.133%0.32821%0.208SC..Hα-helixtrans-59-49.3177.5-76.8-175.9-152.6170.6-1.8113.5F41 S74 I76 L81 Q82 E119F41-R78 HydrophobicContact CE2-CB 3.44Å; F41-R78 VanDerWaalsContact CE2-CB 3.44Å; F41-R78 HydrophobicContact CE2-CG 3.65Å; F41-R78 HydrophobicContact CZ-CB 3.39Å; F41-R78 VanDerWaalsContact CZ-CD 3.45Å; F41-R78 HydrophobicContact CZ-CG 3.46Å; F41-R78 VanDerWaalsContact CZ-CG 3.46Å; S74-R78 WeakPolarHBondContact O-CB 3.42Å; S74-R78 VanDerWaalsContact O-CG 3.27Å; S74-R78 WeakPolarHBondContact O-CG 3.31Å; S74-R78 PolarHBondContact O-N 3.09Å; S74-R78 PolarHBondContact OG-NE 3.05Å; S74-R78 PolarHBondContact OG-NH2 3.32Å; I76-R78 VanDerWaalsContact C-N 3.34Å; I76-R78 PolarHBondContact O-N 3.25Å; R78-L81 PolarHBondContact O-N 2.6Å; R78-Q82 PolarHBondContact O-N 2.96Å; R78-E119 VanDerWaalsContact CG-OE2 3.32Å; R78-E119 WeakPolarHBondContact CG-OE2 3.32Å; R78-E119 IonicContact CZ-OE1 3.01Å; R78-E119 VanDerWaalsContact CZ-OE1 3.24Å; R78-E119 IonicContact NE-OE1 3.81Å; R78-E119 PolarHBondContact NE-OE1 3.03Å; R78-E119 IonicContact NE-OE2 3.64Å; R78-E119 IonicContact NH2-OE1 3.25Å; R78-E119 PolarHBondContact NH2-OE1 3.44Å
79Y86Confident84.2Confident40 Ų4039.9 Ų39.916%0.15720%0.2CC..Hα-helixtrans-63.9-43.5177.8-176.9-90.7000111.5P49 L52 C75 I76 L81 Q82 C83 L92P49-Y79 HydrophobicContact CB-CE2 4.21Å; P49-Y79 HydrophobicContact CG-CE2 4.05Å; L52-Y79 HydrophobicContact CD2-CD1 3.42Å; L52-Y79 VanDerWaalsContact CD2-CD1 3.42Å; L52-Y79 HydrophobicContact CD2-CD2 4.03Å; L52-Y79 HydrophobicContact CD2-CE1 4.08Å; L52-Y79 HydrophobicContact CD2-CG 3.39Å; C75-Y79 WeakPolarHBondContact O-CB 3.23Å; C75-Y79 PolarHBondContact O-N 3.24Å; I76-Y79 PolarHBondContact O-N 2.95Å; Y79-L81 VanDerWaalsContact C-N 3.3Å; Y79-L81 PolarHBondContact O-N 2.82Å; Y79-Q82 PolarHBondContact O-N 2.84Å; Y79-Q82 VanDerWaalsContact O-N 3.15Å; Y79-C83 HydrophobicContact CE1-CB 4.41Å; Y79-C83 WeakPolarHBondContact O-CB 3.41Å; Y79-C83 PolarHBondContact O-N 3Å; Y79-L92 HydrophobicContact CD1-CD1 3.66Å; Y79-L92 HydrophobicContact CE1-CD1 4.17Å
80A88.3Confident84.7Confident2 Ų244.6 Ų44.62%0.01722%0.222CC..Hα-helixtrans-62.3-37.218000000112.2I76 S77 Q82 C83 L92 I158I76-A80 WeakPolarHBondContact O-CB 3.2Å; I76-A80 PolarHBondContact O-N 2.91Å; S77-A80 PolarHBondContact O-N 3.01Å; A80-Q82 VanDerWaalsContact C-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.23Å; A80-C83 PolarHBondContact O-N 3.25Å; A80-L92 HydrophobicContact CB-CD1 4Å; A80-I158 HydrophobicContact CB-CD1 3.57Å; A80-I158 HydrophobicContact CB-CG1 4.16Å
81L85.6Confident85.5Confident0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-64.8-28.5176.5-76169.5000113.2S77 R78 Y79 L120 A123 Y129 F151 N154 C155 I158S77-L81 WeakPolarHBondContact O-CB 3.47Å; S77-L81 VanDerWaalsContact O-CG 3.26Å; S77-L81 WeakPolarHBondContact O-CG 3.48Å; S77-L81 PolarHBondContact O-N 2.97Å; R78-L81 PolarHBondContact O-N 2.6Å; Y79-L81 VanDerWaalsContact C-N 3.3Å; Y79-L81 PolarHBondContact O-N 2.82Å; L81-L120 HydrophobicContact CD1-CD2 4.26Å; L81-L120 HydrophobicContact CD2-CD2 3.83Å; L81-L120 HydrophobicContact CG-CD2 3.91Å; L81-A123 HydrophobicContact CD1-CB 3.73Å; L81-A123 HydrophobicContact CD2-CB 3.95Å; L81-Y129 HydrophobicContact CD1-CE1 3.94Å; L81-F151 HydrophobicContact CB-CD1 3.92Å; L81-F151 HydrophobicContact CB-CE1 4.32Å; L81-N154 WeakPolarHBondContact O-CB 3.37Å; L81-N154 PolarHBondContact O-ND2 2.84Å; L81-C155 HydrophobicContact CD2-CB 3.98Å; L81-I158 HydrophobicContact CD2-CD1 4.15Å; L81-I158 HydrophobicContact CG-CD1 4.32Å
82Q81.5Confident86Confident47 Ų4740.8 Ų40.822%0.2221%0.206CC..Hα-helixtrans-98.1-8.8179.8-67.3-178.2-18.100113.9S40 R78 Y79 A80 Q84 F151S40-Q82 PolarHBondContact O-OE1 3.21Å; R78-Q82 PolarHBondContact O-N 2.96Å; Y79-Q82 PolarHBondContact O-N 2.84Å; Y79-Q82 VanDerWaalsContact O-N 3.15Å; A80-Q82 VanDerWaalsContact C-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.23Å; Q82-Q84 PolarHBondContact O-N 3.43Å; Q82-F151 HydrophobicContact CG-CE1 3.51Å; Q82-F151 HydrophobicContact CG-CZ 3.55Å
83C84.2Confident86.3Confident6 Ų640.9 Ų40.94%0.04121%0.207CC..  trans-66.2130.1-172.6-173.70000111.6Y79 A80 V85 Q88 I89 N154Y79-C83 HydrophobicContact CE1-CB 4.41Å; Y79-C83 WeakPolarHBondContact O-CB 3.41Å; Y79-C83 PolarHBondContact O-N 3Å; A80-C83 PolarHBondContact O-N 3.25Å; C83-V85 PolarHBondContact SG-N 2.89Å; C83-V85 PolarHBondContact SG-O 3.48Å; C83-V85 VanDerWaalsContact SG-O 3.39Å; C83-Q88 PolarHBondContact SG-OE1 3.31Å; C83-I89 HydrophobicContact CB-CD1 4.28Å; C83-I89 HydrophobicContact CB-CG1 3.87Å; C83-N154 PolarHBondContact O-ND2 3.34Å; C83-N154 PolarHBondContact O-OD1 3.46Å
84Q82.5Confident86.4Confident149 Ų14944.3 Ų44.370%0.69623%0.225SC*.SBendtrans-82.9-21177-61.9-65.6-24.900112.4Q82Q82-Q84 PolarHBondContact O-N 3.43Å
85V85Confident86.8Confident73 Ų7344.9 Ų44.944%0.44223%0.228SC..  trans-100109.5-172.6-175.50000110.6C83 H87 Q88 I89C83-V85 PolarHBondContact SG-N 2.89Å; C83-V85 PolarHBondContact SG-O 3.48Å; C83-V85 VanDerWaalsContact SG-O 3.39Å; V85-H87 VanDerWaalsContact C-N 3.3Å; V85-H87 HydrophobicContact CG1-CB 4.36Å; V85-H87 PolarHBondContact O-N 2.89Å; V85-Q88 HydrophobicContact CB-CB 4.33Å; V85-Q88 HydrophobicContact CB-CG 3.98Å; V85-Q88 HydrophobicContact CG1-CG 3.98Å; V85-Q88 WeakPolarHBondContact O-CB 3.31Å; V85-Q88 PolarHBondContact O-N 3.5Å; V85-I89 PolarHBondContact O-N 3.26Å
86S85Confident86.9Confident68 Ų6844.6 Ų44.648%0.47623%0.226SC..Hα-helixtrans-56.7-38.2-177.556.40000114.1Q88 I89 Q90S86-Q88 VanDerWaalsContact C-N 3.3Å; S86-Q88 PolarHBondContact O-N 3.47Å; S86-I89 WeakPolarHBondContact O-CB 3.39Å; S86-I89 PolarHBondContact O-N 2.92Å; S86-Q90 PolarHBondContact O-N 3.17Å
87H87.3Confident86.7Confident123 Ų12344.9 Ų44.957%0.56923%0.229SC*.Hα-helixtrans-62-37177.8179.4-88.1000112.3V85 I89 Q90 C91V85-H87 VanDerWaalsContact C-N 3.3Å; V85-H87 HydrophobicContact CG1-CB 4.36Å; V85-H87 PolarHBondContact O-N 2.89Å; H87-I89 VanDerWaalsContact C-N 3.35Å; H87-I89 PolarHBondContact O-N 3.32Å; H87-Q90 PolarHBondContact O-N 3.49Å; H87-C91 PolarHBondContact CE1-SG 2.99Å; H87-C91 PolarHBondContact O-N 2.92Å; H87-C91 PolarHBondContact O-SG 2.96Å; H87-C91 VanDerWaalsContact O-SG 3.37Å
88Q88.8Confident86.6Confident76 Ų7647.7 Ų47.736%0.35524%0.242SC..Hα-helixtrans-66.4-39.2178.4-68.7179.4-8.800111.2C83 V85 S86 Q90 C91 L92C83-Q88 PolarHBondContact SG-OE1 3.31Å; V85-Q88 HydrophobicContact CB-CB 4.33Å; V85-Q88 HydrophobicContact CB-CG 3.98Å; V85-Q88 HydrophobicContact CG1-CG 3.98Å; V85-Q88 WeakPolarHBondContact O-CB 3.31Å; V85-Q88 PolarHBondContact O-N 3.5Å; S86-Q88 VanDerWaalsContact C-N 3.3Å; S86-Q88 PolarHBondContact O-N 3.47Å; Q88-Q90 VanDerWaalsContact C-N 3.27Å; Q88-Q90 PolarHBondContact O-N 3.36Å; Q88-C91 WeakPolarHBondContact O-CB 3.49Å; Q88-C91 PolarHBondContact O-N 3.39Å; Q88-L92 VanDerWaalsContact O-CG 3.31Å; Q88-L92 WeakPolarHBondContact O-CG 3.42Å; Q88-L92 PolarHBondContact O-N 3.36Å
89I88.9Confident86.5Confident0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-58-42.2174.9-62.4174.4000111C83 V85 S86 H87 L92 S93 N154 R157 I158C83-I89 HydrophobicContact CB-CD1 4.28Å; C83-I89 HydrophobicContact CB-CG1 3.87Å; V85-I89 PolarHBondContact O-N 3.26Å; S86-I89 WeakPolarHBondContact O-CB 3.39Å; S86-I89 PolarHBondContact O-N 2.92Å; H87-I89 VanDerWaalsContact C-N 3.35Å; H87-I89 PolarHBondContact O-N 3.32Å; I89-L92 PolarHBondContact O-N 2.96Å; I89-S93 WeakPolarHBondContact O-CB 3.5Å; I89-S93 PolarHBondContact O-N 3.37Å; I89-S93 PolarHBondContact O-OG 3.37Å; I89-N154 HydrophobicContact CD1-CB 4.13Å; I89-N154 WeakPolarHBondContact CD1-OD1 3.32Å; I89-R157 HydrophobicContact CG2-CB 4.2Å; I89-I158 HydrophobicContact CG2-CB 4.41Å; I89-I158 HydrophobicContact CG2-CD1 4.41Å; I89-I158 HydrophobicContact CG2-CG1 3.39Å
90Q88.4Confident86.2Confident99 Ų9941.7 Ų41.746%0.46322%0.219SC..Hα-helixtrans-66.6-43.2177.2-169172.73.500111.7S86 H87 Q88 L92 S93 N94S86-Q90 PolarHBondContact O-N 3.17Å; H87-Q90 PolarHBondContact O-N 3.49Å; Q88-Q90 VanDerWaalsContact C-N 3.27Å; Q88-Q90 PolarHBondContact O-N 3.36Å; Q90-L92 PolarHBondContact O-N 3.1Å; Q90-S93 PolarHBondContact O-N 3.05Å; Q90-N94 VanDerWaalsContact O-CG 3.26Å; Q90-N94 PolarHBondContact O-N 3.49Å; Q90-N94 PolarHBondContact O-OD1 3.17Å
91C90.7Very high85.7Confident54 Ų5445.4 Ų45.437%0.36524%0.239SC..Hα-helixtrans-59-46.7174.5-67.50000112.1H87 Q88 S93 N94 V95H87-C91 PolarHBondContact CE1-SG 2.99Å; H87-C91 PolarHBondContact O-N 2.92Å; H87-C91 PolarHBondContact O-SG 2.96Å; H87-C91 VanDerWaalsContact O-SG 3.37Å; Q88-C91 WeakPolarHBondContact O-CB 3.49Å; Q88-C91 PolarHBondContact O-N 3.39Å; C91-S93 VanDerWaalsContact C-N 3.33Å; C91-S93 PolarHBondContact O-N 3.32Å; C91-N94 WeakPolarHBondContact O-CB 3.45Å; C91-N94 PolarHBondContact O-N 3.49Å; C91-V95 WeakPolarHBondContact O-CG2 3.11Å; C91-V95 PolarHBondContact O-N 3.35Å
92L91.3Very high85.1Confident15 Ų1547.4 Ų47.48%0.07925%0.25CC..Hα-helixtrans-62.2-41.7177.8-68173.4000111.4L52 I76 Y79 A80 Q88 I89 Q90 N94 V95 V96L52-L92 HydrophobicContact CD2-CD2 4.15Å; I76-L92 HydrophobicContact CG2-CB 3.93Å; I76-L92 HydrophobicContact CG2-CD1 4.46Å; I76-L92 HydrophobicContact CG2-CD2 4.19Å; I76-L92 HydrophobicContact CG2-CG 4.41Å; Y79-L92 HydrophobicContact CD1-CD1 3.66Å; Y79-L92 HydrophobicContact CE1-CD1 4.17Å; A80-L92 HydrophobicContact CB-CD1 4Å; Q88-L92 VanDerWaalsContact O-CG 3.31Å; Q88-L92 WeakPolarHBondContact O-CG 3.42Å; Q88-L92 PolarHBondContact O-N 3.36Å; I89-L92 PolarHBondContact O-N 2.96Å; Q90-L92 PolarHBondContact O-N 3.1Å; L92-N94 VanDerWaalsContact C-N 3.3Å; L92-N94 PolarHBondContact O-N 2.93Å; L92-V95 PolarHBondContact O-N 3.22Å; L92-V96 WeakPolarHBondContact O-CG2 3.41Å; L92-V96 PolarHBondContact O-N 2.78Å
93S89.5Confident84.4Confident2 Ų245.5 Ų45.51%0.01424%0.241CC..Hα-helixtrans-61.7-38.3175.6-59.10000112I89 Q90 C91 V96 G97I89-S93 WeakPolarHBondContact O-CB 3.5Å; I89-S93 PolarHBondContact O-N 3.37Å; I89-S93 PolarHBondContact O-OG 3.37Å; Q90-S93 PolarHBondContact O-N 3.05Å; C91-S93 VanDerWaalsContact C-N 3.33Å; C91-S93 PolarHBondContact O-N 3.32Å; S93-V96 PolarHBondContact O-N 3.34Å; S93-G97 PolarHBondContact O-N 3.35Å
94N88.1Confident83.2Confident72 Ų7248.4 Ų48.439%0.38526%0.259SS..Hα-helixtrans-67.7-40.4176-68-9000112Q90 C91 L92 V96 G97 H98 H165Q90-N94 VanDerWaalsContact O-CG 3.26Å; Q90-N94 PolarHBondContact O-N 3.49Å; Q90-N94 PolarHBondContact O-OD1 3.17Å; C91-N94 WeakPolarHBondContact O-CB 3.45Å; C91-N94 PolarHBondContact O-N 3.49Å; L92-N94 VanDerWaalsContact C-N 3.3Å; L92-N94 PolarHBondContact O-N 2.93Å; N94-V96 VanDerWaalsContact C-N 3.35Å; N94-G97 PolarHBondContact O-N 3.47Å; N94-H98 PolarHBondContact O-N 3.49Å; N94-H165 PolarHBondContact OD1-CE1 3.05Å; N94-H165 PolarHBondContact OD1-NE2 3.46Å
95V89.2Confident82.3Confident23 Ų2348.8 Ų48.814%0.13926%0.261CS..Hα-helixtrans-61.4-45.6174172.50000110C56 V60 C91 L92 G97 H98 L99C56-V95 HydrophobicContact CB-CG1 4.2Å; C56-V95 HydrophobicContact CB-CG2 4.27Å; V60-V95 HydrophobicContact CG2-CG2 4.35Å; C91-V95 WeakPolarHBondContact O-CG2 3.11Å; C91-V95 PolarHBondContact O-N 3.35Å; L92-V95 PolarHBondContact O-N 3.22Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.08Å; V95-H98 WeakPolarHBondContact O-CB 3.3Å; V95-H98 PolarHBondContact O-N 3.21Å; V95-L99 HydrophobicContact CG1-CD1 3.97Å; V95-L99 HydrophobicContact CG1-CG 4.37Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.31Å; V95-L99 PolarHBondContact O-N 3.41Å
96V86.8Confident81.2Confident0 Ų050.8 Ų50.80%026%0.263CS..Hα-helixtrans-59.3-44.4175.3171.30000111.6L73 I76 L92 S93 N94 H98 L99 F100 F116L73-V96 HydrophobicContact CD2-CG1 4.27Å; L73-V96 HydrophobicContact CD2-CG2 4.12Å; I76-V96 HydrophobicContact CD1-CG2 4.13Å; I76-V96 HydrophobicContact CG2-CG2 3.85Å; L92-V96 WeakPolarHBondContact O-CG2 3.41Å; L92-V96 PolarHBondContact O-N 2.78Å; S93-V96 PolarHBondContact O-N 3.34Å; N94-V96 VanDerWaalsContact C-N 3.35Å; V96-H98 VanDerWaalsContact C-N 3.34Å; V96-H98 PolarHBondContact O-N 2.84Å; V96-L99 PolarHBondContact O-N 3.37Å; V96-F100 HydrophobicContact CG1-CD2 3.9Å; V96-F100 HydrophobicContact CG1-CE1 4.16Å; V96-F100 HydrophobicContact CG1-CE2 3.32Å; V96-F100 HydrophobicContact CG1-CZ 3.48Å; V96-F100 VanDerWaalsContact CG1-CZ 3.48Å; V96-F100 WeakPolarHBondContact O-CG 3.33Å; V96-F100 PolarHBondContact O-N 3.14Å; V96-F116 HydrophobicContact CG1-CD1 3.86Å; V96-F116 HydrophobicContact CG1-CD2 4.41Å; V96-F116 HydrophobicContact CG1-CE1 3.92Å; V96-F116 HydrophobicContact CG1-CE2 4.49Å; V96-F116 HydrophobicContact CG1-CG 4.1Å; V96-F116 HydrophobicContact CG1-CZ 4.24Å; V96-F116 HydrophobicContact CG2-CD2 4.08Å; V96-F116 HydrophobicContact CG2-CE2 3.83Å; V96-F116 HydrophobicContact CG2-CZ 4.09Å
97G84.2Confident80.2Confident7 Ų755 Ų557%0.07228%0.28CS..Hα-helixtrans-60.6-41.4175.400000113.1S93 N94 V95 F100 N101 A167S93-G97 PolarHBondContact O-N 3.35Å; N94-G97 PolarHBondContact O-N 3.47Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.08Å; G97-F100 PolarHBondContact O-N 3.31Å; G97-N101 PolarHBondContact O-N 3.31Å; G97-A167 WeakPolarHBondContact O-CB 3.48Å
98H83.6Confident79Confident59 Ų5951.2 Ų51.227%0.27326%0.262SS..Hα-helixtrans-63.7-45.4174.117656.2000111.7N94 V95 V96 F100 N101 D102N94-H98 PolarHBondContact O-N 3.49Å; V95-H98 WeakPolarHBondContact O-CB 3.3Å; V95-H98 PolarHBondContact O-N 3.21Å; V96-H98 VanDerWaalsContact C-N 3.34Å; V96-H98 PolarHBondContact O-N 2.84Å; H98-F100 VanDerWaalsContact C-N 3.3Å; H98-F100 PolarHBondContact O-N 3.25Å; H98-N101 PolarHBondContact O-N 2.88Å; H98-N101 VanDerWaalsContact O-N 3.15Å; H98-D102 IonicContact CE1-OD1 3.72Å; H98-D102 PolarHBondContact CE1-OD1 2.9Å; H98-D102 IonicContact CE1-OD2 3.82Å; H98-D102 PolarHBondContact CE1-OD2 3.44Å; H98-D102 IonicContact ND1-OD1 2.73Å; H98-D102 IonicContact NE2-OD2 3.53Å; H98-D102 PolarHBondContact O-N 3.23Å
99L82.1Confident77.9Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-59.7-41.7177-69.3166.5000111.7A59 M63 F72 L73 I76 V95 V96 N101 D102 L103A59-L99 HydrophobicContact CB-CD2 3.7Å; M63-L99 HydrophobicContact CE-CD2 3.79Å; M63-L99 HydrophobicContact SD-CD2 3.48Å; M63-L99 WeakPolarHBondContact SD-CD2 3.45Å; F72-L99 HydrophobicContact CD1-CD1 4.02Å; F72-L99 HydrophobicContact CE1-CD1 3.59Å; L73-L99 HydrophobicContact CD2-CD1 4.24Å; I76-L99 HydrophobicContact CD1-CD1 4.37Å; V95-L99 HydrophobicContact CG1-CD1 3.97Å; V95-L99 HydrophobicContact CG1-CG 4.37Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.31Å; V95-L99 PolarHBondContact O-N 3.41Å; V96-L99 PolarHBondContact O-N 3.37Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 3.44Å; L99-D102 PolarHBondContact O-N 3.44Å; L99-L103 HydrophobicContact CB-CD1 4.37Å; L99-L103 WeakPolarHBondContact O-CB 3.38Å; L99-L103 WeakPolarHBondContact O-CD1 3.42Å; L99-L103 WeakPolarHBondContact O-CG 3.44Å; L99-L103 PolarHBondContact O-N 2.91Å
100F78.8Confident76.8Confident0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-61-41.6177.1-73.5-21.4000112.4L73 V96 G97 H98 T104 R113 F116 F117 A167 H171L73-F100 HydrophobicContact CD1-CE1 4.09Å; L73-F100 HydrophobicContact CD2-CE1 4.37Å; V96-F100 HydrophobicContact CG1-CD2 3.9Å; V96-F100 HydrophobicContact CG1-CE1 4.16Å; V96-F100 HydrophobicContact CG1-CE2 3.32Å; V96-F100 HydrophobicContact CG1-CZ 3.48Å; V96-F100 VanDerWaalsContact CG1-CZ 3.48Å; V96-F100 WeakPolarHBondContact O-CG 3.33Å; V96-F100 PolarHBondContact O-N 3.14Å; G97-F100 PolarHBondContact O-N 3.31Å; H98-F100 VanDerWaalsContact C-N 3.3Å; H98-F100 PolarHBondContact O-N 3.25Å; F100-T104 VanDerWaalsContact O-CG2 3.31Å; F100-T104 WeakPolarHBondContact O-CG2 3.43Å; F100-T104 PolarHBondContact O-N 3.31Å; F100-R113 HydrophobicContact CD1-CB 4.06Å; F100-R113 HydrophobicContact CD1-CG 4.13Å; F100-R113 HydrophobicContact CE1-CB 3.83Å; F100-R113 HydrophobicContact CE1-CG 4.29Å; F100-R113 WeakPolarHBondContact CE1-O 3.43Å; F100-F116 HydrophobicContact CZ-CB 4.22Å; F100-F116 HydrophobicContact CZ-CD1 4.31Å; F100-F117 HydrophobicContact CE2-CD2 4.49Å; F100-F117 AromaticContact CE2-CE2 3.55Å; F100-F117 HydrophobicContact CE2-CE2 3.55Å; F100-F117 HydrophobicContact CE2-CZ 4.06Å; F100-F117 HydrophobicContact CZ-CD2 4.38Å; F100-F117 AromaticContact CZ-CE2 3.85Å; F100-F117 HydrophobicContact CZ-CE2 3.85Å; F100-A167 HydrophobicContact CB-CB 4.12Å; F100-H171 VanDerWaalsContact CB-CD2 3.46Å; F100-H171 WeakPolarHBondContact CB-CD2 3.2Å; F100-H171 HydrophobicContact CD2-CB 4.24Å; F100-H171 AromaticContact CD2-CD2 3.57Å; F100-H171 AromaticContact CD2-CG 3.98Å; F100-H171 HydrophobicContact CE2-CB 4.23Å; F100-H171 AromaticContact CG-CD2 3.45Å; F100-H171 VanDerWaalsContact CG-CD2 3.45Å; F100-H171 WeakPolarHBondContact CG-CD2 3.37Å; F100-H171 AromaticContact CG-NE2 3.79Å
101N77.9Confident75.5Confident81 Ų8151.6 Ų51.643%0.43327%0.274SS..Hα-helixtrans-64.1-47174.8-71.4-20.5000111.8G97 H98 L99 L103 T104 A167G97-N101 PolarHBondContact O-N 3.31Å; H98-N101 PolarHBondContact O-N 2.88Å; H98-N101 VanDerWaalsContact O-N 3.15Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 3.44Å; N101-L103 PolarHBondContact O-N 3.01Å; N101-T104 PolarHBondContact O-N 2.91Å; N101-T104 PolarHBondContact O-OG1 3.24Å; N101-A167 WeakPolarHBondContact OD1-CB 3.45Å
102D74.3Confident74.4Confident42 Ų4254 Ų5423%0.22528%0.278CS..Hα-helixtrans-68.2-37.5-179.6-84.320.5000112.6H98 L99 T104 Q105H98-D102 IonicContact CE1-OD1 3.72Å; H98-D102 PolarHBondContact CE1-OD1 2.9Å; H98-D102 IonicContact CE1-OD2 3.82Å; H98-D102 PolarHBondContact CE1-OD2 3.44Å; H98-D102 IonicContact ND1-OD1 2.73Å; H98-D102 IonicContact NE2-OD2 3.53Å; H98-D102 PolarHBondContact O-N 3.23Å; L99-D102 PolarHBondContact O-N 3.44Å; D102-T104 VanDerWaalsContact C-N 3.35Å; D102-Q105 PolarHBondContact O-N 2.87Å
103L65.6Low73.2Confident6 Ų654.1 Ų54.13%0.03128%0.277CS..Hα-helixtrans-70.1-28.8177.1-71.5172.7000112.4M63 L99 N101 Q105 K106 Y108 R113M63-L103 HydrophobicContact CE-CD1 4.06Å; M63-L103 HydrophobicContact CE-CD2 3.82Å; M63-L103 HydrophobicContact CE-CG 4.18Å; M63-L103 HydrophobicContact SD-CD1 4.22Å; M63-L103 HydrophobicContact SD-CD2 3.42Å; M63-L103 WeakPolarHBondContact SD-CD2 3.26Å; M63-L103 HydrophobicContact SD-CG 3.72Å; L99-L103 HydrophobicContact CB-CD1 4.37Å; L99-L103 WeakPolarHBondContact O-CB 3.38Å; L99-L103 WeakPolarHBondContact O-CD1 3.42Å; L99-L103 WeakPolarHBondContact O-CG 3.44Å; L99-L103 PolarHBondContact O-N 2.91Å; N101-L103 PolarHBondContact O-N 3.01Å; L103-Q105 PolarHBondContact O-N 3.29Å; L103-K106 PolarHBondContact O-N 2.86Å; L103-Y108 HydrophobicContact CD1-CD1 4.26Å; L103-Y108 HydrophobicContact CD2-CD1 3.93Å; L103-Y108 HydrophobicContact CD2-CD2 3.97Å; L103-Y108 HydrophobicContact CD2-CE1 4.42Å; L103-Y108 HydrophobicContact CD2-CE2 4.48Å; L103-Y108 HydrophobicContact CD2-CG 3.66Å; L103-Y108 PolarHBondContact O-N 3.2Å; L103-R113 HydrophobicContact CB-CG 4.4Å; L103-R113 HydrophobicContact CD1-CG 3.94Å
104T58.9Low72.3Confident68 Ų6854.6 Ų54.642%0.41728%0.281SS..Hα-helixtrans-60.9-33.9171.258.20000111.8F100 N101 D102 K106F100-T104 VanDerWaalsContact O-CG2 3.31Å; F100-T104 WeakPolarHBondContact O-CG2 3.43Å; F100-T104 PolarHBondContact O-N 3.31Å; N101-T104 PolarHBondContact O-N 2.91Å; N101-T104 PolarHBondContact O-OG1 3.24Å; D102-T104 VanDerWaalsContact C-N 3.35Å; T104-K106 VanDerWaalsContact C-N 3.3Å; T104-K106 PolarHBondContact O-N 3.44Å
105Q63.4Low71.6Confident157 Ų15753 Ų5373%0.73427%0.274SS*.THydrogen-bonded Turntrans-76.8-16-176.3-64.6-175.8-1.500113.5D102 L103D102-Q105 PolarHBondContact O-N 2.87Å; L103-Q105 PolarHBondContact O-N 3.29Å
106K63.3Low71.1Confident114 Ų11452 Ų5250%0.49627%0.268SS..THydrogen-bonded Turntrans-111.622-173.5-62.5-173.4-175.7177.20114.1M63 L103 T104 Y108M63-K106 PolarHBondContact O-NZ 2.88Å; L103-K106 PolarHBondContact O-N 2.86Å; T104-K106 VanDerWaalsContact C-N 3.3Å; T104-K106 PolarHBondContact O-N 3.44Å; K106-Y108 PolarHBondContact O-N 3.44Å
107D62.2Low70.6Confident157 Ų15752 Ų5284%0.8427%0.268SS*.THydrogen-bonded Turntrans52.229.1-177.4-68.5-30.4000114.3S109D107-S109 PolarHBondContact O-N 2.9Å
108Y63.6Low70Confident44 Ų4452.2 Ų52.217%0.17327%0.267CS..  trans-70.2125.8176.7-155.1-100.8000109.4G69 L103 K106 V110 K112 R113G69-Y108 PolarHBondContact N-OH 3.46Å; L103-Y108 HydrophobicContact CD1-CD1 4.26Å; L103-Y108 HydrophobicContact CD2-CD1 3.93Å; L103-Y108 HydrophobicContact CD2-CD2 3.97Å; L103-Y108 HydrophobicContact CD2-CE1 4.42Å; L103-Y108 HydrophobicContact CD2-CE2 4.48Å; L103-Y108 HydrophobicContact CD2-CG 3.66Å; L103-Y108 PolarHBondContact O-N 3.2Å; K106-Y108 PolarHBondContact O-N 3.44Å; Y108-V110 PolarHBondContact O-N 3.25Å; Y108-K112 HydrophobicContact CD1-CB 3.9Å; Y108-K112 HydrophobicContact CE1-CB 3.33Å; Y108-K112 HydrophobicContact CE1-CD 3.84Å; Y108-K112 HydrophobicContact CE1-CG 4.24Å; Y108-K112 HydrophobicContact CE2-CD 4.45Å; Y108-R113 HydrophobicContact CD1-CG 4.13Å; Y108-R113 PolarHBondContact O-NE 2.94Å; Y108-R113 VanDerWaalsContact O-NE 3.16Å; Y108-R113 PolarHBondContact O-NH2 2.93Å
109S66.1Low69.7Low51 Ų5150 Ų5036%0.35726%0.256SS..  trans-57.2137.2-171.192.50000111.4D107 I111 K112 R113D107-S109 PolarHBondContact O-N 2.9Å; S109-I111 PolarHBondContact O-N 3.34Å; S109-K112 PolarHBondContact O-N 2.9Å; S109-K112 VanDerWaalsContact O-N 3.08Å; S109-K112 PolarHBondContact OG-N 2.79Å; S109-R113 PolarHBondContact O-N 2.86Å
110V64Low69.5Low46 Ų4650.1 Ų50.128%0.27926%0.257SS..Hα-helixtrans-57.8-32.1179.5-176.50000110.7Y108 K112 R113 S114 V176Y108-V110 PolarHBondContact O-N 3.25Å; V110-K112 VanDerWaalsContact C-N 3.33Å; V110-K112 PolarHBondContact O-N 3.47Å; V110-R113 WeakPolarHBondContact O-CB 3.35Å; V110-R113 PolarHBondContact O-N 3.38Å; V110-S114 PolarHBondContact O-N 3.38Å; V110-S114 PolarHBondContact O-OG 3.19Å; V110-V176 HydrophobicContact CB-CB 4.49Å; V110-V176 HydrophobicContact CB-CG1 4.44Å; V110-V176 HydrophobicContact CB-CG2 3.92Å; V110-V176 HydrophobicContact CG1-CB 3.98Å; V110-V176 HydrophobicContact CG1-CG1 4.41Å; V110-V176 HydrophobicContact CG1-CG2 3.48Å; V110-V176 VanDerWaalsContact CG1-CG2 3.48Å; V110-V176 HydrophobicContact CG2-CG2 4.47Å
111I61.9Low69.2Low86 Ų8650.4 Ų50.444%0.44126%0.258SS..Hα-helixtrans-58.1-42.7176.8-51.3-168.7000112.4S109 R113 S114 V176 T178S109-I111 PolarHBondContact O-N 3.34Å; I111-R113 VanDerWaalsContact C-N 3.27Å; I111-R113 PolarHBondContact O-N 2.97Å; I111-S114 WeakPolarHBondContact CA-OG 3.49Å; I111-S114 PolarHBondContact O-N 3.27Å; I111-S114 PolarHBondContact O-OG 3.39Å; I111-V176 HydrophobicContact CG1-CG1 4.02Å; I111-T178 HydrophobicContact CB-CG2 3.8Å; I111-T178 HydrophobicContact CD1-CG2 4.1Å; I111-T178 HydrophobicContact CG1-CG2 3.56Å; I111-T178 HydrophobicContact CG2-CG2 3.64Å
112K66.8Low69Low103 Ų10348.2 Ų48.245%0.44825%0.246SC..Hα-helixtrans-73.4-23.1179.1-68.3-179.1177.4-1770112.2Y108 S109 V110 V115Y108-K112 HydrophobicContact CD1-CB 3.9Å; Y108-K112 HydrophobicContact CE1-CB 3.33Å; Y108-K112 HydrophobicContact CE1-CD 3.84Å; Y108-K112 HydrophobicContact CE1-CG 4.24Å; Y108-K112 HydrophobicContact CE2-CD 4.45Å; S109-K112 PolarHBondContact O-N 2.9Å; S109-K112 VanDerWaalsContact O-N 3.08Å; S109-K112 PolarHBondContact OG-N 2.79Å; V110-K112 VanDerWaalsContact C-N 3.33Å; V110-K112 PolarHBondContact O-N 3.47Å; K112-V115 WeakPolarHBondContact O-CG2 3.47Å
113R67.4Low68.9Low19 Ų1946.6 Ų46.67%0.07224%0.238CC..Hα-helixtrans-79.7-34175.8-70.3-178.9-88.2170.9-8.8112.5F100 L103 Y108 S109 V110 I111 V115 H171F100-R113 HydrophobicContact CD1-CB 4.06Å; F100-R113 HydrophobicContact CD1-CG 4.13Å; F100-R113 HydrophobicContact CE1-CB 3.83Å; F100-R113 HydrophobicContact CE1-CG 4.29Å; F100-R113 WeakPolarHBondContact CE1-O 3.43Å; L103-R113 HydrophobicContact CB-CG 4.4Å; L103-R113 HydrophobicContact CD1-CG 3.94Å; Y108-R113 HydrophobicContact CD1-CG 4.13Å; Y108-R113 PolarHBondContact O-NE 2.94Å; Y108-R113 VanDerWaalsContact O-NE 3.16Å; Y108-R113 PolarHBondContact O-NH2 2.93Å; S109-R113 PolarHBondContact O-N 2.86Å; V110-R113 WeakPolarHBondContact O-CB 3.35Å; V110-R113 PolarHBondContact O-N 3.38Å; I111-R113 VanDerWaalsContact C-N 3.27Å; I111-R113 PolarHBondContact O-N 2.97Å; R113-V115 PolarHBondContact O-N 3.4Å; R113-H171 PolarHBondContact NH1-CE1 2.56Å; R113-H171 PolarHBondContact NH1-NE2 2.97Å
114S69.4Low69.3Low12 Ų1246.4 Ų46.48%0.08424%0.238CC..THydrogen-bonded Turntrans-68-12.818048.80000114.2V110 I111 F116 F117 H118V110-S114 PolarHBondContact O-N 3.38Å; V110-S114 PolarHBondContact O-OG 3.19Å; I111-S114 WeakPolarHBondContact CA-OG 3.49Å; I111-S114 PolarHBondContact O-N 3.27Å; I111-S114 PolarHBondContact O-OG 3.39Å; S114-F116 PolarHBondContact O-N 3.4Å; S114-F117 PolarHBondContact O-N 3.17Å; S114-F117 VanDerWaalsContact O-N 3.08Å; S114-H118 PolarHBondContact O-CD2 2.68Å; S114-H118 PolarHBondContact O-N 3.16Å
115V73.3Confident70Confident39 Ų3945.3 Ų45.324%0.23623%0.229CC..Hα-helixtrans-53.3-40.5177.6177.50000112.1K112 R113 F117 H118 E119K112-V115 WeakPolarHBondContact O-CG2 3.47Å; R113-V115 PolarHBondContact O-N 3.4Å; V115-F117 PolarHBondContact O-N 3.14Å; V115-H118 PolarHBondContact O-N 3.49Å; V115-E119 PolarHBondContact O-N 2.9Å; V115-E119 VanDerWaalsContact O-N 3.13Å
116F80.2Confident70.5Confident2 Ų239.1 Ų39.11%0.00920%0.201CC..Hα-helixtrans-56.8-49.7177.1176.4-105.2000111.8L73 I76 V96 F100 S114 L120 I158L73-F116 HydrophobicContact CB-CB 4.2Å; L73-F116 HydrophobicContact CD2-CB 4.31Å; I76-F116 HydrophobicContact CG2-CE2 4.09Å; V96-F116 HydrophobicContact CG1-CD1 3.86Å; V96-F116 HydrophobicContact CG1-CD2 4.41Å; V96-F116 HydrophobicContact CG1-CE1 3.92Å; V96-F116 HydrophobicContact CG1-CE2 4.49Å; V96-F116 HydrophobicContact CG1-CG 4.1Å; V96-F116 HydrophobicContact CG1-CZ 4.24Å; V96-F116 HydrophobicContact CG2-CD2 4.08Å; V96-F116 HydrophobicContact CG2-CE2 3.83Å; V96-F116 HydrophobicContact CG2-CZ 4.09Å; F100-F116 HydrophobicContact CZ-CB 4.22Å; F100-F116 HydrophobicContact CZ-CD1 4.31Å; S114-F116 PolarHBondContact O-N 3.4Å; F116-L120 HydrophobicContact CD1-CD1 3.98Å; F116-L120 HydrophobicContact CE1-CD1 3.5Å; F116-L120 VanDerWaalsContact CE1-CD1 3.5Å; F116-L120 HydrophobicContact CE2-CD1 4.44Å; F116-L120 HydrophobicContact CZ-CD1 3.77Å; F116-L120 WeakPolarHBondContact O-CG 3.43Å; F116-L120 PolarHBondContact O-N 3.4Å; F116-I158 HydrophobicContact CE1-CG2 4.1Å; F116-I158 HydrophobicContact CZ-CG2 3.66Å
117F75.5Confident70.5Confident0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-68.8-42.1179-69.4-72.7000111F100 S114 V115 E119 L120 L121 M159 N162 H171 T172 P195F100-F117 HydrophobicContact CE2-CD2 4.49Å; F100-F117 AromaticContact CE2-CE2 3.55Å; F100-F117 HydrophobicContact CE2-CE2 3.55Å; F100-F117 HydrophobicContact CE2-CZ 4.06Å; F100-F117 HydrophobicContact CZ-CD2 4.38Å; F100-F117 AromaticContact CZ-CE2 3.85Å; F100-F117 HydrophobicContact CZ-CE2 3.85Å; S114-F117 PolarHBondContact O-N 3.17Å; S114-F117 VanDerWaalsContact O-N 3.08Å; V115-F117 PolarHBondContact O-N 3.14Å; F117-E119 VanDerWaalsContact C-N 3.28Å; F117-E119 PolarHBondContact O-N 2.9Å; F117-L120 HydrophobicContact CD1-CD1 4.26Å; F117-L120 WeakPolarHBondContact O-CB 3.42Å; F117-L120 PolarHBondContact O-N 3.25Å; F117-L121 HydrophobicContact CB-CD1 4.38Å; F117-L121 WeakPolarHBondContact O-CD1 3.41Å; F117-L121 WeakPolarHBondContact O-CG 3.11Å; F117-L121 PolarHBondContact O-N 2.8Å; F117-M159 HydrophobicContact CD1-CE 4.28Å; F117-M159 HydrophobicContact CD1-SD 4.11Å; F117-M159 HydrophobicContact CE1-SD 4.12Å; F117-N162 HydrophobicContact CE1-CB 4.07Å; F117-N162 HydrophobicContact CZ-CB 4.22Å; F117-H171 HydrophobicContact CE2-CB 3.7Å; F117-H171 HydrophobicContact CZ-CB 4.45Å; F117-T172 WeakPolarHBondContact CE1-OG1 3.35Å; F117-T172 WeakPolarHBondContact CZ-OG1 3.39Å; F117-P195 HydrophobicContact CB-CB 3.92Å; F117-P195 HydrophobicContact CB-CG 3.42Å; F117-P195 VanDerWaalsContact CB-CG 3.42Å; F117-P195 HydrophobicContact CD1-CB 4.17Å; F117-P195 HydrophobicContact CD1-CG 4.31Å; F117-P195 HydrophobicContact CD2-CG 4.19Å; F117-P195 HydrophobicContact CG-CB 4.09Å; F117-P195 HydrophobicContact CG-CG 3.73Å
118H71.7Confident70.8Confident11 Ų1135.1 Ų35.15%0.05119%0.19CC..Hα-helixtrans-54.2-43.3179.1-71.3-48.4000113S114 V115 L121 I122 T178 V180S114-H118 PolarHBondContact O-CD2 2.68Å; S114-H118 PolarHBondContact O-N 3.16Å; V115-H118 PolarHBondContact O-N 3.49Å; H118-L121 PolarHBondContact O-N 3.43Å; H118-I122 VanDerWaalsContact O-CG1 3.3Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.41Å; H118-T178 PolarHBondContact NE2-OG1 3.4Å; H118-V180 HydrophobicContact CB-CG1 4.36Å; H118-V180 HydrophobicContact CB-CG2 4.21Å
119E76.9Confident71Confident13 Ų1334.2 Ų34.26%0.06119%0.186CC..Hα-helixtrans-66-38.5175.7-75.3-162.416400113.7S74 S77 R78 V115 F117 L121 I122 A123S74-E119 WeakPolarHBondContact CA-OE2 3.5Å; S74-E119 WeakPolarHBondContact CB-OE1 3.47Å; S74-E119 VanDerWaalsContact OG-CD 3.3Å; S74-E119 PolarHBondContact OG-OE1 2.88Å; S74-E119 PolarHBondContact OG-OE2 3.21Å; S77-E119 WeakPolarHBondContact CB-OE2 3.23Å; S77-E119 PolarHBondContact OG-OE2 3.27Å; R78-E119 VanDerWaalsContact CG-OE2 3.32Å; R78-E119 WeakPolarHBondContact CG-OE2 3.32Å; R78-E119 IonicContact CZ-OE1 3.01Å; R78-E119 VanDerWaalsContact CZ-OE1 3.24Å; R78-E119 IonicContact NE-OE1 3.81Å; R78-E119 PolarHBondContact NE-OE1 3.03Å; R78-E119 IonicContact NE-OE2 3.64Å; R78-E119 IonicContact NH2-OE1 3.25Å; R78-E119 PolarHBondContact NH2-OE1 3.44Å; V115-E119 PolarHBondContact O-N 2.9Å; V115-E119 VanDerWaalsContact O-N 3.13Å; F117-E119 VanDerWaalsContact C-N 3.28Å; F117-E119 PolarHBondContact O-N 2.9Å; E119-L121 VanDerWaalsContact C-N 3.25Å; E119-L121 PolarHBondContact O-N 3.23Å; E119-I122 PolarHBondContact O-N 3.48Å; E119-A123 PolarHBondContact O-N 3.21Å
120L77.7Confident70.6Confident1 Ų133.7 Ų33.71%0.00518%0.178CC..Hα-helixtrans-62.5-36.6174-63.2172.4000112L81 F116 F117 A123 L124 C155 I158L81-L120 HydrophobicContact CD1-CD2 4.26Å; L81-L120 HydrophobicContact CD2-CD2 3.83Å; L81-L120 HydrophobicContact CG-CD2 3.91Å; F116-L120 HydrophobicContact CD1-CD1 3.98Å; F116-L120 HydrophobicContact CE1-CD1 3.5Å; F116-L120 VanDerWaalsContact CE1-CD1 3.5Å; F116-L120 HydrophobicContact CE2-CD1 4.44Å; F116-L120 HydrophobicContact CZ-CD1 3.77Å; F116-L120 WeakPolarHBondContact O-CG 3.43Å; F116-L120 PolarHBondContact O-N 3.4Å; F117-L120 HydrophobicContact CD1-CD1 4.26Å; F117-L120 WeakPolarHBondContact O-CB 3.42Å; F117-L120 PolarHBondContact O-N 3.25Å; L120-A123 WeakPolarHBondContact O-CB 3.21Å; L120-A123 PolarHBondContact O-N 3Å; L120-L124 PolarHBondContact O-N 2.89Å; L120-L124 VanDerWaalsContact O-N 3.14Å; L120-C155 PolarHBondContact O-SG 3.26Å; L120-I158 HydrophobicContact CD1-CB 4.39Å; L120-I158 HydrophobicContact CD1-CG2 3.45Å; L120-I158 VanDerWaalsContact CD1-CG2 3.45Å; L120-I158 HydrophobicContact CD2-CB 4.22Å; L120-I158 HydrophobicContact CD2-CD1 3.54Å; L120-I158 HydrophobicContact CD2-CG1 4.44Å; L120-I158 HydrophobicContact CD2-CG2 3.86Å; L120-I158 HydrophobicContact CG-CG2 4.32Å
121L73.2Confident70.4Confident7 Ų735.3 Ų35.34%0.03719%0.185CC..Hα-helixtrans-76-36-176.8-62.4165.3000111.9F117 H118 E119 A123 L124 I125 P195F117-L121 HydrophobicContact CB-CD1 4.38Å; F117-L121 WeakPolarHBondContact O-CD1 3.41Å; F117-L121 WeakPolarHBondContact O-CG 3.11Å; F117-L121 PolarHBondContact O-N 2.8Å; H118-L121 PolarHBondContact O-N 3.43Å; E119-L121 VanDerWaalsContact C-N 3.25Å; E119-L121 PolarHBondContact O-N 3.23Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-L124 PolarHBondContact O-N 3.4Å; L121-L124 VanDerWaalsContact O-N 3.12Å; L121-I125 WeakPolarHBondContact O-CG1 3.23Å; L121-I125 PolarHBondContact O-N 3.14Å; L121-P195 VanDerWaalsContact CD1-CA 3.46Å; L121-P195 HydrophobicContact CD1-CB 3.9Å; L121-P195 HydrophobicContact CD1-CG 4.13Å; L121-P195 HydrophobicContact CD2-CB 4.45Å; L121-P195 WeakPolarHBondContact CD2-O 3.26Å
122I73.4Confident70.1Confident35 Ų3534.1 Ų34.118%0.17918%0.183CC..Hα-helixtrans-60.1-45.1170.6-63.9165.2000108.6H118 E119 L124 I125 D126 Y129H118-I122 VanDerWaalsContact O-CG1 3.3Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.41Å; E119-I122 PolarHBondContact O-N 3.48Å; I122-L124 PolarHBondContact O-N 3.47Å; I122-I125 PolarHBondContact O-N 3.4Å; I122-D126 HydrophobicContact CG2-CB 4.05Å; I122-D126 VanDerWaalsContact O-CB 3.27Å; I122-D126 WeakPolarHBondContact O-CB 3.17Å; I122-D126 PolarHBondContact O-N 3.46Å; I122-Y129 HydrophobicContact CB-CD2 4.29Å; I122-Y129 HydrophobicContact CB-CE2 4.33Å; I122-Y129 HydrophobicContact CG2-CD2 3.5Å; I122-Y129 VanDerWaalsContact CG2-CD2 3.5Å; I122-Y129 HydrophobicContact CG2-CE2 3.9Å; I122-Y129 HydrophobicContact CG2-CG 4.5Å
123A73Confident69.5Low7 Ų730 Ų306%0.05817%0.169CC..Hα-helixtrans-61.8-24.5176.300000114L81 E119 L120 L121 Y129L81-A123 HydrophobicContact CD1-CB 3.73Å; L81-A123 HydrophobicContact CD2-CB 3.95Å; E119-A123 PolarHBondContact O-N 3.21Å; L120-A123 WeakPolarHBondContact O-CB 3.21Å; L120-A123 PolarHBondContact O-N 3Å; L121-A123 VanDerWaalsContact C-N 3.27Å; A123-Y129 HydrophobicContact CB-CD1 3.64Å; A123-Y129 HydrophobicContact CB-CE1 3.68Å; A123-Y129 HydrophobicContact CB-CG 4.09Å
124L73.7Confident68.8Low3 Ų333.2 Ų33.22%0.01618%0.184CC..Hα-helixtrans-82.4-41.4175.3-17568.9000112.5L120 L121 I122 L152 L199 I210 T213L120-L124 PolarHBondContact O-N 2.89Å; L120-L124 VanDerWaalsContact O-N 3.14Å; L121-L124 PolarHBondContact O-N 3.4Å; L121-L124 VanDerWaalsContact O-N 3.12Å; I122-L124 PolarHBondContact O-N 3.47Å; L124-L152 HydrophobicContact CD1-CD2 4.18Å; L124-L199 HydrophobicContact CD2-CD1 4.33Å; L124-I210 HydrophobicContact CD1-CG2 4.41Å; L124-I210 HydrophobicContact CG-CG2 4.39Å; L124-I210 WeakPolarHBondContact O-CD1 3.35Å; L124-I210 WeakPolarHBondContact O-CG1 3.43Å; L124-I210 WeakPolarHBondContact O-CG2 3.44Å; L124-T213 HydrophobicContact CD1-CG2 4.13Å
125I73.3Confident67.7Low44 Ų4440.3 Ų40.323%0.22622%0.221CC..Hα-helixtrans-90.8-37.7-169.8-64169.8000111.8L121 I122 P127 L201 M205L121-I125 WeakPolarHBondContact O-CG1 3.23Å; L121-I125 PolarHBondContact O-N 3.14Å; I122-I125 PolarHBondContact O-N 3.4Å; I125-P127 VanDerWaalsContact O-CD 3.27Å; I125-P127 WeakPolarHBondContact O-CD 3.38Å; I125-L201 HydrophobicContact CD1-CB 4.41Å; I125-L201 HydrophobicContact CD1-CD1 4.5Å; I125-M205 HydrophobicContact CG2-SD 4.34Å
126D73.4Confident66.1Low28 Ų2840.9 Ų40.915%0.1524%0.235CC..  trans-88.4109.1-175.1-173.2-1000110.5I122 D128 Y129 L187I122-D126 HydrophobicContact CG2-CB 4.05Å; I122-D126 VanDerWaalsContact O-CB 3.27Å; I122-D126 WeakPolarHBondContact O-CB 3.17Å; I122-D126 PolarHBondContact O-N 3.46Å; D126-D128 PolarHBondContact O-N 3.18Å; D126-D128 PolarHBondContact OD1-N 3.01Å; D126-Y129 WeakPolarHBondContact O-CB 3.49Å; D126-Y129 PolarHBondContact O-N 3.5Å; D126-L187 HydrophobicContact CB-CD1 4.38Å; D126-L187 WeakPolarHBondContact OD2-CD1 3.46Å
127P64.5Low63.9Low96 Ų9650.7 Ų50.762%0.62328%0.278SS*.THydrogen-bonded Turntrans-64.4-22.5176.928.9-35.1000112.7I125I125-P127 VanDerWaalsContact O-CD 3.27Å; I125-P127 WeakPolarHBondContact O-CD 3.38Å
128D68.1Low62Low90 Ų9054.1 Ų54.148%0.48130%0.3SS..THydrogen-bonded Turntrans-97.812.2-178.7-62.7-38.5000112.3D126 E130 L131 C132D126-D128 PolarHBondContact O-N 3.18Å; D126-D128 PolarHBondContact OD1-N 3.01Å; D128-E130 PolarHBondContact O-N 2.8Å; D128-L131 HydrophobicContact CB-CD1 4.4Å; D128-L131 WeakPolarHBondContact O-CB 3.25Å; D128-L131 PolarHBondContact O-N 3.24Å; D128-C132 PolarHBondContact O-N 3.23Å; D128-C132 VanDerWaalsContact O-N 3.13Å
129Y66.4Low60.4Low25 Ų2557.4 Ų57.410%0.09833%0.325CS..Hα-helixtrans-54-40.2-179.4179.8-107.4000112.6L81 I122 A123 D126 L131 C132 A133 F151L81-Y129 HydrophobicContact CD1-CE1 3.94Å; I122-Y129 HydrophobicContact CB-CD2 4.29Å; I122-Y129 HydrophobicContact CB-CE2 4.33Å; I122-Y129 HydrophobicContact CG2-CD2 3.5Å; I122-Y129 VanDerWaalsContact CG2-CD2 3.5Å; I122-Y129 HydrophobicContact CG2-CE2 3.9Å; I122-Y129 HydrophobicContact CG2-CG 4.5Å; A123-Y129 HydrophobicContact CB-CD1 3.64Å; A123-Y129 HydrophobicContact CB-CE1 3.68Å; A123-Y129 HydrophobicContact CB-CG 4.09Å; D126-Y129 WeakPolarHBondContact O-CB 3.49Å; D126-Y129 PolarHBondContact O-N 3.5Å; Y129-L131 VanDerWaalsContact C-N 3.31Å; Y129-L131 PolarHBondContact O-N 3.37Å; Y129-C132 PolarHBondContact O-N 2.98Å; Y129-A133 HydrophobicContact CE1-CB 4.46Å; Y129-A133 VanDerWaalsContact O-CB 3.28Å; Y129-A133 WeakPolarHBondContact O-CB 3.16Å; Y129-A133 PolarHBondContact O-N 3.5Å; Y129-F151 HydrophobicContact CD1-CD1 4.26Å; Y129-F151 HydrophobicContact CE1-CD1 4.17Å; Y129-F151 HydrophobicContact CE1-CE1 4.26Å
130E59.5Low58.6Low40 Ų4060.7 Ų60.719%0.18735%0.354CS..Hα-helixtrans-61.8-38.1179-64.6-167.9158.400113D128 A133 Q134 S148 F151D128-E130 PolarHBondContact O-N 2.8Å; E130-A133 PolarHBondContact O-N 3.34Å; E130-Q134 PolarHBondContact O-N 3.31Å; E130-Q134 VanDerWaalsContact O-N 3.17Å; E130-S148 WeakPolarHBondContact OE1-CA 3.43Å; E130-S148 PolarHBondContact OE1-N 3.17Å; E130-F151 HydrophobicContact CG-CD2 3.81Å; E130-F151 HydrophobicContact CG-CE2 3.79Å; E130-F151 HydrophobicContact CG-CG 4.29Å; E130-F151 HydrophobicContact CG-CZ 4.29Å; E130-F151 WeakPolarHBondContact OE1-CD2 3.49Å; E130-F151 VanDerWaalsContact OE1-CE2 3.23Å; E130-F151 WeakPolarHBondContact OE1-CE2 3.36Å
131L58.1Low56.8Low80 Ų8065 Ų6542%0.41939%0.389SS..Hα-helixtrans-69.9-36.6178.4-82.7147.7000111.2D128 Y129 P138 W143D128-L131 HydrophobicContact CB-CD1 4.4Å; D128-L131 WeakPolarHBondContact O-CB 3.25Å; D128-L131 PolarHBondContact O-N 3.24Å; Y129-L131 VanDerWaalsContact C-N 3.31Å; Y129-L131 PolarHBondContact O-N 3.37Å; L131-P138 HydrophobicContact CD2-CB 4.29Å; L131-W143 HydrophobicContact CD2-CZ2 4.02Å
132C55.4Low55Low61 Ų6169 Ų6941%0.41241%0.414SS..Hα-helixtrans-74.2-30.9176.6-65.60000112.3D128 Y129D128-C132 PolarHBondContact O-N 3.23Å; D128-C132 VanDerWaalsContact O-N 3.13Å; Y129-C132 PolarHBondContact O-N 2.98Å
133A55.6Low53.2Low17 Ų1774.4 Ų74.414%0.1443%0.432CS..Hα-helixtrans-79.3-28.7-177.500000113.1F41 Y129 E130F41-A133 HydrophobicContact CD1-CB 4.02Å; F41-A133 WeakPolarHBondContact CD1-O 3.35Å; F41-A133 HydrophobicContact CE1-CB 3.6Å; Y129-A133 HydrophobicContact CE1-CB 4.46Å; Y129-A133 VanDerWaalsContact O-CB 3.28Å; Y129-A133 WeakPolarHBondContact O-CB 3.16Å; Y129-A133 PolarHBondContact O-N 3.5Å; E130-A133 PolarHBondContact O-N 3.34Å
134Q52.5Low51.4Low86 Ų8682.2 Ų82.240%0.40247%0.468SS..SBendtrans-90.4103.7171.7-66.2174.42900108.8E130 G136E130-Q134 PolarHBondContact O-N 3.31Å; E130-Q134 VanDerWaalsContact O-N 3.17Å; Q134-G136 PolarHBondContact O-N 2.99Å
135N45.7Very low49.9Very low161 Ų16186.6 Ų86.686%0.86150%0.498SS*.  trans-64.322175.7-78.9-37.2000114.6
136G40.1Very low48.4Very low51 Ų5188.6 Ų88.653%0.52652%0.516SS..SBendtrans-112142.5-176.500000112.5Q134Q134-G136 PolarHBondContact O-N 2.99Å
137K33.9Very low47.3Very low209 Ų20991.9 Ų91.991%0.90953%0.53SS*.PPolyproline II helixtrans-53.4131.9167.8-76.7179.1178176.20108.7S139K137-S139 PolarHBondContact O-N 3.44Å
138P36.5Very low47Very low72 Ų7289.2 Ų89.247%0.46851%0.513SS..PPolyproline II helixtrans-66.2126.7-175.826.1-33.5000110.4L131 A140 W143L131-P138 HydrophobicContact CD2-CB 4.29Å; P138-A140 PolarHBondContact O-N 3.27Å; P138-W143 HydrophobicContact CB-CH2 3.32Å; P138-W143 HydrophobicContact CB-CZ2 2.97Å; P138-W143 HydrophobicContact CB-CZ3 4.28Å; P138-W143 HydrophobicContact CG-CH2 3.38Å; P138-W143 HydrophobicContact CG-CZ2 3.41Å; P138-W143 VanDerWaalsContact CG-CZ2 3.41Å
139S38.1Very low47Very low80 Ų8089.4 Ų89.456%0.55951%0.514SS*.PPolyproline II helixtrans-75.8121.8163.298.90000107.2K137 A141K137-S139 PolarHBondContact O-N 3.44Å; S139-A141 PolarHBondContact O-N 3.48Å
140A39.2Very low47.6Very low82 Ų8290.3 Ų90.368%0.67852%0.522SS*.THydrogen-bonded Turntrans-67.38.8-171.700000115.4P138 W143P138-A140 PolarHBondContact O-N 3.27Å; A140-W143 HydrophobicContact CB-CE3 4.19Å; A140-W143 HydrophobicContact CB-CZ3 4.01Å
141A39.2Very low48.7Very low90 Ų9089.3 Ų89.374%0.74452%0.517SS*.THydrogen-bonded Turntrans-111.63.8-165.200000115.5S139S139-A141 PolarHBondContact O-N 3.48Å
142T35.9Very low50Low92 Ų9286.2 Ų86.256%0.56450%0.501SS*.SBendtrans-129.821-178.94.90000113.9E144T142-E144 PolarHBondContact O-N 3.13Å
143W34.7Very low51.6Low148 Ų14884.5 Ų84.556%0.56149%0.494SS*.  trans-90.73.6-159-102.3-30000118L131 P138 A140L131-W143 HydrophobicContact CD2-CZ2 4.02Å; P138-W143 HydrophobicContact CB-CH2 3.32Å; P138-W143 HydrophobicContact CB-CZ2 2.97Å; P138-W143 HydrophobicContact CB-CZ3 4.28Å; P138-W143 HydrophobicContact CG-CH2 3.38Å; P138-W143 HydrophobicContact CG-CZ2 3.41Å; P138-W143 VanDerWaalsContact CG-CZ2 3.41Å; A140-W143 HydrophobicContact CB-CE3 4.19Å; A140-W143 HydrophobicContact CB-CZ3 4.01Å
144E35.6Very low53.1Low172 Ų17283.9 Ų83.980%0.80449%0.488SS*.SBendtrans-116.9107.3-172.8-70.3178.4173.200111.4T142 S146T142-E144 PolarHBondContact O-N 3.13Å; E144-S146 PolarHBondContact O-N 2.9Å
145S42.8Very low54.9Low94 Ų9480 Ų8066%0.65747%0.47SS*.SBendtrans81.3-31.6159.3760000120.9
146S41.8Very low57Low86 Ų8673.8 Ų73.860%0.60144%0.435SS*.THydrogen-bonded Turntrans-91.5-23.7-161.232.10000116.8E144E144-S146 PolarHBondContact O-N 2.9Å
147K48.8Very low59.4Low98 Ų9876.6 Ų76.643%0.42643%0.429SS..THydrogen-bonded Turntrans-84.5-40.2-179.7-75-174.2174.4-175.50113.8N149 V150K147-N149 PolarHBondContact O-N 3.33Å; K147-N149 VanDerWaalsContact O-N 3.08Å; K147-V150 WeakPolarHBondContact O-CB 3.22Å; K147-V150 PolarHBondContact O-N 3.07Å
148S58.2Low62.1Low40 Ų4066.7 Ų66.728%0.2839%0.386SS..Hα-helixtrans-55-32.8-179.5690000114.3E130 V150 L152E130-S148 WeakPolarHBondContact OE1-CA 3.43Å; E130-S148 PolarHBondContact OE1-N 3.17Å; S148-V150 VanDerWaalsContact C-N 3.34Å; S148-V150 PolarHBondContact O-N 2.97Å; S148-L152 WeakPolarHBondContact O-CG 3.37Å; S148-L152 PolarHBondContact O-N 3.27Å
149N69.7Low64.6Low93 Ų9363.5 Ų63.550%0.49737%0.365SS..Hα-helixtrans-71.2-26.4178.6-72.3-10.4000113.2K147 G153K147-N149 PolarHBondContact O-N 3.33Å; K147-N149 VanDerWaalsContact O-N 3.08Å; N149-G153 WeakPolarHBondContact O-CA 3.38Å; N149-G153 PolarHBondContact O-N 3.24Å
150V78.8Confident67.2Low44 Ų4460.1 Ų60.127%0.26734%0.341SS..Hα-helixtrans-70.2-46.5177.9179.40000110.1K147 S148 G153 N154K147-V150 WeakPolarHBondContact O-CB 3.22Å; K147-V150 PolarHBondContact O-N 3.07Å; S148-V150 VanDerWaalsContact C-N 3.34Å; S148-V150 PolarHBondContact O-N 2.97Å; V150-G153 PolarHBondContact O-N 3.23Å; V150-N154 VanDerWaalsContact O-CB 3.29Å; V150-N154 WeakPolarHBondContact O-CB 3.32Å; V150-N154 VanDerWaalsContact O-CG 3.24Å; V150-N154 PolarHBondContact O-N 2.93Å; V150-N154 PolarHBondContact O-ND2 2.99Å
151F82.9Confident69.6Low19 Ų1957.4 Ų57.48%0.08332%0.317CS..Hα-helixtrans-64.1-46.3178.6-75.7-98.8000111.6L81 Q82 Y129 E130 N154 C155L81-F151 HydrophobicContact CB-CD1 3.92Å; L81-F151 HydrophobicContact CB-CE1 4.32Å; Q82-F151 HydrophobicContact CG-CE1 3.51Å; Q82-F151 HydrophobicContact CG-CZ 3.55Å; Y129-F151 HydrophobicContact CD1-CD1 4.26Å; Y129-F151 HydrophobicContact CE1-CD1 4.17Å; Y129-F151 HydrophobicContact CE1-CE1 4.26Å; E130-F151 HydrophobicContact CG-CD2 3.81Å; E130-F151 HydrophobicContact CG-CE2 3.79Å; E130-F151 HydrophobicContact CG-CG 4.29Å; E130-F151 HydrophobicContact CG-CZ 4.29Å; E130-F151 WeakPolarHBondContact OE1-CD2 3.49Å; E130-F151 VanDerWaalsContact OE1-CE2 3.23Å; E130-F151 WeakPolarHBondContact OE1-CE2 3.36Å; F151-N154 PolarHBondContact O-N 3.18Å; F151-C155 WeakPolarHBondContact O-CB 3.33Å; F151-C155 PolarHBondContact O-N 2.93Å
152L85Confident72Confident16 Ų1653.1 Ų53.18%0.08428%0.281CS..Hα-helixtrans-63.2-44.3176.3-72.2176.8000111.7L124 S148 N154 C155 R156 N209 T213L124-L152 HydrophobicContact CD1-CD2 4.18Å; S148-L152 WeakPolarHBondContact O-CG 3.37Å; S148-L152 PolarHBondContact O-N 3.27Å; L152-N154 VanDerWaalsContact C-N 3.32Å; L152-N154 PolarHBondContact O-N 3.12Å; L152-C155 WeakPolarHBondContact O-CB 3.4Å; L152-C155 PolarHBondContact O-N 3.1Å; L152-R156 WeakPolarHBondContact O-CB 3.49Å; L152-R156 PolarHBondContact O-N 3.44Å; L152-N209 HydrophobicContact CD1-CB 4Å; L152-T213 HydrophobicContact CB-CG2 4.01Å; L152-T213 HydrophobicContact CD2-CG2 4.32Å; L152-T213 WeakPolarHBondContact O-CG2 3.41Å
153G87.7Confident74.5Confident25 Ų2548.8 Ų48.826%0.25826%0.255SS..Hα-helixtrans-62.4-37.2175.900000113.1N149 V150 R156 R157N149-G153 WeakPolarHBondContact O-CA 3.38Å; N149-G153 PolarHBondContact O-N 3.24Å; V150-G153 PolarHBondContact O-N 3.23Å; G153-R156 WeakPolarHBondContact O-CB 3.5Å; G153-R157 WeakPolarHBondContact O-CG 3.39Å; G153-R157 PolarHBondContact O-N 3.47Å; G153-R157 VanDerWaalsContact O-N 3.07Å
154N88.8Confident77Confident4 Ų448.1 Ų48.12%0.02125%0.252CS..Hα-helixtrans-72.6-40174.4-74.3-19000111.8L81 C83 I89 V150 F151 L152 R156 R157 I158L81-N154 WeakPolarHBondContact O-CB 3.37Å; L81-N154 PolarHBondContact O-ND2 2.84Å; C83-N154 PolarHBondContact O-ND2 3.34Å; C83-N154 PolarHBondContact O-OD1 3.46Å; I89-N154 HydrophobicContact CD1-CB 4.13Å; I89-N154 WeakPolarHBondContact CD1-OD1 3.32Å; V150-N154 VanDerWaalsContact O-CB 3.29Å; V150-N154 WeakPolarHBondContact O-CB 3.32Å; V150-N154 VanDerWaalsContact O-CG 3.24Å; V150-N154 PolarHBondContact O-N 2.93Å; V150-N154 PolarHBondContact O-ND2 2.99Å; F151-N154 PolarHBondContact O-N 3.18Å; L152-N154 VanDerWaalsContact C-N 3.32Å; L152-N154 PolarHBondContact O-N 3.12Å; N154-R156 VanDerWaalsContact C-N 3.3Å; N154-R156 PolarHBondContact O-N 3.36Å; N154-R157 PolarHBondContact O-N 3.49Å; N154-R157 PolarHBondContact OD1-NH1 3.38Å; N154-I158 WeakPolarHBondContact O-CB 3.29Å; N154-I158 WeakPolarHBondContact O-CD1 3.4Å; N154-I158 WeakPolarHBondContact O-CG1 3.49Å; N154-I158 PolarHBondContact O-N 3.32Å
155C89Confident79.4Confident3 Ų343.1 Ų43.12%0.0223%0.229CC..Hα-helixtrans-56.7-46.2171.5-174.40000110.6L81 L120 F151 L152 R157 I158 M159L81-C155 HydrophobicContact CD2-CB 3.98Å; L120-C155 PolarHBondContact O-SG 3.26Å; F151-C155 WeakPolarHBondContact O-CB 3.33Å; F151-C155 PolarHBondContact O-N 2.93Å; L152-C155 WeakPolarHBondContact O-CB 3.4Å; L152-C155 PolarHBondContact O-N 3.1Å; C155-R157 PolarHBondContact O-N 3.3Å; C155-I158 PolarHBondContact O-N 3.34Å; C155-M159 WeakPolarHBondContact O-CB 3.47Å; C155-M159 PolarHBondContact O-N 3.39Å
156R90.4Very high81.4Confident32 Ų3246.1 Ų46.112%0.12123%0.226CC..Hα-helixtrans-52.7-53172.9170.3-179167.3-169.9-6.3111.6L152 G153 N154 M159 V160 T213 E216 I217 D220 D228L152-R156 WeakPolarHBondContact O-CB 3.49Å; L152-R156 PolarHBondContact O-N 3.44Å; G153-R156 WeakPolarHBondContact O-CB 3.5Å; N154-R156 VanDerWaalsContact C-N 3.3Å; N154-R156 PolarHBondContact O-N 3.36Å; R156-M159 PolarHBondContact O-N 3.13Å; R156-V160 WeakPolarHBondContact O-CB 3.45Å; R156-V160 VanDerWaalsContact O-CG2 3.22Å; R156-V160 WeakPolarHBondContact O-CG2 3.32Å; R156-V160 PolarHBondContact O-N 2.63Å; R156-T213 HydrophobicContact CB-CG2 4.1Å; R156-E216 WeakPolarHBondContact CD-OE2 3.29Å; R156-E216 IonicContact CZ-OE2 3.31Å; R156-E216 IonicContact NE-OE2 3.29Å; R156-E216 IonicContact NH1-OE1 2.67Å; R156-E216 IonicContact NH1-OE2 3.93Å; R156-E216 PolarHBondContact NH1-OE2 3.16Å; R156-I217 HydrophobicContact CB-CD1 4.45Å; R156-I217 HydrophobicContact CB-CG1 3.84Å; R156-I217 HydrophobicContact CG-CG1 3.91Å; R156-D220 IonicContact CZ-OD1 2.73Å; R156-D220 IonicContact CZ-OD2 2.77Å; R156-D220 VanDerWaalsContact CZ-OD2 3.25Å; R156-D220 IonicContact NE-OD1 3.62Å; R156-D220 IonicContact NE-OD2 2.93Å; R156-D220 PolarHBondContact NE-OD2 3.42Å; R156-D220 IonicContact NH2-OD1 3.27Å; R156-D220 PolarHBondContact NH2-OD1 3.02Å; R156-D220 IonicContact NH2-OD2 3.35Å; R156-D220 PolarHBondContact NH2-OD2 2.89Å; R156-D228 IonicContact CZ-OD1 3.7Å; R156-D228 IonicContact NH1-OD1 3.14Å; R156-D228 PolarHBondContact NH1-OD1 2.9Å; R156-D228 IonicContact NH2-OD1 3.17Å; R156-D228 PolarHBondContact NH2-OD1 3.28Å
157R90.4Very high83.3Confident110 Ų11042.4 Ų42.442%0.41520%0.2SC..Hα-helixtrans-60.8-47.1179.3-71.1169.8-177.9172.90.2112.8I89 G153 N154 C155 M159 C161I89-R157 HydrophobicContact CG2-CB 4.2Å; G153-R157 WeakPolarHBondContact O-CG 3.39Å; G153-R157 PolarHBondContact O-N 3.47Å; G153-R157 VanDerWaalsContact O-N 3.07Å; N154-R157 PolarHBondContact O-N 3.49Å; N154-R157 PolarHBondContact OD1-NH1 3.38Å; C155-R157 PolarHBondContact O-N 3.3Å; R157-M159 VanDerWaalsContact C-N 3.35Å; R157-C161 WeakPolarHBondContact O-CB 3.46Å; R157-C161 PolarHBondContact O-N 3.24Å; R157-C161 PolarHBondContact O-SG 3.13Å
158I90.6Very high85.1Confident0 Ų037.7 Ų37.70%018%0.18CC..Hα-helixtrans-63-45.4-178.5-63.8158.9000109.7A80 L81 I89 F116 L120 N154 C155 C161 N162A80-I158 HydrophobicContact CB-CD1 3.57Å; A80-I158 HydrophobicContact CB-CG1 4.16Å; L81-I158 HydrophobicContact CD2-CD1 4.15Å; L81-I158 HydrophobicContact CG-CD1 4.32Å; I89-I158 HydrophobicContact CG2-CB 4.41Å; I89-I158 HydrophobicContact CG2-CD1 4.41Å; I89-I158 HydrophobicContact CG2-CG1 3.39Å; F116-I158 HydrophobicContact CE1-CG2 4.1Å; F116-I158 HydrophobicContact CZ-CG2 3.66Å; L120-I158 HydrophobicContact CD1-CB 4.39Å; L120-I158 HydrophobicContact CD1-CG2 3.45Å; L120-I158 VanDerWaalsContact CD1-CG2 3.45Å; L120-I158 HydrophobicContact CD2-CB 4.22Å; L120-I158 HydrophobicContact CD2-CD1 3.54Å; L120-I158 HydrophobicContact CD2-CG1 4.44Å; L120-I158 HydrophobicContact CD2-CG2 3.86Å; L120-I158 HydrophobicContact CG-CG2 4.32Å; N154-I158 WeakPolarHBondContact O-CB 3.29Å; N154-I158 WeakPolarHBondContact O-CD1 3.4Å; N154-I158 WeakPolarHBondContact O-CG1 3.49Å; N154-I158 PolarHBondContact O-N 3.32Å; C155-I158 PolarHBondContact O-N 3.34Å; I158-C161 PolarHBondContact O-N 3.26Å; I158-N162 WeakPolarHBondContact CG2-ND2 3.32Å; I158-N162 PolarHBondContact O-N 3.02Å; I158-N162 PolarHBondContact O-ND2 3.45Å
159M89.5Confident86.5Confident6 Ų636.1 Ų36.13%0.0317%0.168CC..Hα-helixtrans-67.1-43.9-176.8-154.657.6169.600111.6F117 C155 R156 R157 C161 N162 L163 T172 P195 I217F117-M159 HydrophobicContact CD1-CE 4.28Å; F117-M159 HydrophobicContact CD1-SD 4.11Å; F117-M159 HydrophobicContact CE1-SD 4.12Å; C155-M159 WeakPolarHBondContact O-CB 3.47Å; C155-M159 PolarHBondContact O-N 3.39Å; R156-M159 PolarHBondContact O-N 3.13Å; R157-M159 VanDerWaalsContact C-N 3.35Å; M159-C161 PolarHBondContact O-N 3.18Å; M159-N162 PolarHBondContact O-N 2.9Å; M159-L163 HydrophobicContact CG-CD1 4.29Å; M159-L163 WeakPolarHBondContact O-CB 3.31Å; M159-L163 WeakPolarHBondContact O-CG 3.3Å; M159-L163 PolarHBondContact O-N 3.23Å; M159-T172 HydrophobicContact CE-CG2 3.65Å; M159-P195 HydrophobicContact CE-CB 4Å; M159-I217 HydrophobicContact CB-CD1 4.28Å; M159-I217 HydrophobicContact CB-CG2 4.43Å; M159-I217 HydrophobicContact CG-CG2 4.41Å
160V91.1Very high87.2Confident9 Ų936 Ų366%0.05517%0.171CC..Hα-helixtrans-62.1-42.8174.3173.70000111.1R156 N162 L163 R164 I217 D220R156-V160 WeakPolarHBondContact O-CB 3.45Å; R156-V160 VanDerWaalsContact O-CG2 3.22Å; R156-V160 WeakPolarHBondContact O-CG2 3.32Å; R156-V160 PolarHBondContact O-N 2.63Å; V160-N162 PolarHBondContact O-N 3.3Å; V160-L163 PolarHBondContact O-N 3.38Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.22Å; V160-R164 PolarHBondContact O-N 2.74Å; V160-I217 HydrophobicContact CG2-CG2 4.28Å; V160-D220 HydrophobicContact CG1-CB 4.19Å; V160-D220 HydrophobicContact CG2-CB 3.63Å
161C90.8Very high87.2Confident24 Ų2434.7 Ų34.716%0.16216%0.162CC..Hα-helixtrans-59.8-48176.1-72.60000111R157 I158 M159 R164 H165R157-C161 WeakPolarHBondContact O-CB 3.46Å; R157-C161 PolarHBondContact O-N 3.24Å; R157-C161 PolarHBondContact O-SG 3.13Å; I158-C161 PolarHBondContact O-N 3.26Å; M159-C161 PolarHBondContact O-N 3.18Å; C161-R164 PolarHBondContact O-N 3.43Å; C161-H165 PolarHBondContact O-CE1 2.87Å; C161-H165 PolarHBondContact O-ND1 3.3Å
162N88.4Confident87.1Confident1 Ų133.8 Ų33.81%0.00516%0.158CC..Hα-helixtrans-66.6-41.2-178.6-80.2-83000112.4F117 I158 M159 V160 R164 H165 G168F117-N162 HydrophobicContact CE1-CB 4.07Å; F117-N162 HydrophobicContact CZ-CB 4.22Å; I158-N162 WeakPolarHBondContact CG2-ND2 3.32Å; I158-N162 PolarHBondContact O-N 3.02Å; I158-N162 PolarHBondContact O-ND2 3.45Å; M159-N162 PolarHBondContact O-N 2.9Å; V160-N162 PolarHBondContact O-N 3.3Å; N162-R164 PolarHBondContact O-N 2.91Å; N162-H165 PolarHBondContact O-N 2.8Å; N162-H165 VanDerWaalsContact O-N 3.09Å; N162-G168 WeakPolarHBondContact O-CA 3.43Å
163L89.4Confident86.9Confident1 Ų134.7 Ų34.71%0.00516%0.161CC..Hα-helixtrans-67.1-14.2177.5-74.5173.5000113.8M159 V160 I169 T172 F173 L221 V284M159-L163 HydrophobicContact CG-CD1 4.29Å; M159-L163 WeakPolarHBondContact O-CB 3.31Å; M159-L163 WeakPolarHBondContact O-CG 3.3Å; M159-L163 PolarHBondContact O-N 3.23Å; V160-L163 PolarHBondContact O-N 3.38Å; L163-I169 WeakPolarHBondContact O-CD1 3.49Å; L163-I169 VanDerWaalsContact O-CG1 3.23Å; L163-I169 WeakPolarHBondContact O-CG1 3.27Å; L163-T172 HydrophobicContact CD2-CG2 3.87Å; L163-F173 HydrophobicContact CD2-CE2 3.97Å; L163-L221 HydrophobicContact CB-CD1 3.75Å; L163-L221 HydrophobicContact CD1-CD1 4.44Å; L163-L221 HydrophobicContact CD1-CD2 4.36Å; L163-V284 HydrophobicContact CD2-CG1 4.09Å; L163-V284 WeakPolarHBondContact O-CG2 3.29Å
164R87.2Confident86.1Confident133 Ų13335 Ų3550%0.50216%0.16SC..THydrogen-bonded Turntrans-86.9-6.1173.5-72.1176179.9-1703.5113.8V160 C161 N162 D220V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.22Å; V160-R164 PolarHBondContact O-N 2.74Å; C161-R164 PolarHBondContact O-N 3.43Å; N162-R164 PolarHBondContact O-N 2.91Å; R164-D220 PolarHBondContact NH2-O 2.98Å
165H85.1Confident84.7Confident67 Ų6743.3 Ų43.331%0.3120%0.199SC..SBendtrans-115.6139.7179.6-60.497.2000111.5N94 C161 N162 A167 G168 I169N94-H165 PolarHBondContact OD1-CE1 3.05Å; N94-H165 PolarHBondContact OD1-NE2 3.46Å; C161-H165 PolarHBondContact O-CE1 2.87Å; C161-H165 PolarHBondContact O-ND1 3.3Å; N162-H165 PolarHBondContact O-N 2.8Å; N162-H165 VanDerWaalsContact O-N 3.09Å; H165-A167 VanDerWaalsContact C-N 3.31Å; H165-A167 PolarHBondContact O-N 2.92Å; H165-G168 WeakPolarHBondContact O-CA 3.41Å; H165-G168 PolarHBondContact O-N 3.4Å; H165-I169 WeakPolarHBondContact O-CG1 3.33Å; H165-I169 PolarHBondContact O-N 3.09Å
166W85.1Confident83Confident157 Ų15745.5 Ų45.560%0.59521%0.212SC*.Hα-helixtrans-53.5-43.8-179.7-72.6112.5000114.1G168 I169 V170 V283W166-G168 VanDerWaalsContact C-N 3.32Å; W166-G168 PolarHBondContact O-N 3.27Å; W166-I169 HydrophobicContact CE3-CD1 4.28Å; W166-I169 PolarHBondContact O-N 3Å; W166-V170 WeakPolarHBondContact O-CG2 3.44Å; W166-V170 PolarHBondContact O-N 3.32Å; W166-V283 HydrophobicContact CH2-CB 4.45Å; W166-V283 HydrophobicContact CH2-CG1 4.48Å; W166-V283 HydrophobicContact CH2-CG2 4.09Å; W166-V283 HydrophobicContact CZ3-CG1 4.1Å
167A83.5Confident81.2Confident8 Ų850 Ų507%0.06623%0.233CC..Hα-helixtrans-60-44.7177.500000111.4G97 F100 N101 H165 H171G97-A167 WeakPolarHBondContact O-CB 3.48Å; F100-A167 HydrophobicContact CB-CB 4.12Å; N101-A167 WeakPolarHBondContact OD1-CB 3.45Å; H165-A167 VanDerWaalsContact C-N 3.31Å; H165-A167 PolarHBondContact O-N 2.92Å; A167-H171 WeakPolarHBondContact O-CB 3.32Å; A167-H171 PolarHBondContact O-CD2 2.98Å; A167-H171 PolarHBondContact O-N 3.04Å
168G85.4Confident79Confident0 Ų044.9 Ų44.90%021%0.214CC..Hα-helixtrans-65.7-43.7176.900000111.9N162 H165 W166 V170 H171 T172N162-G168 WeakPolarHBondContact O-CA 3.43Å; H165-G168 WeakPolarHBondContact O-CA 3.41Å; H165-G168 PolarHBondContact O-N 3.4Å; W166-G168 VanDerWaalsContact C-N 3.32Å; W166-G168 PolarHBondContact O-N 3.27Å; G168-V170 PolarHBondContact O-N 3.01Å; G168-H171 PolarHBondContact O-N 3.4Å; G168-T172 VanDerWaalsContact O-CB 3.28Å; G168-T172 WeakPolarHBondContact O-CB 3.47Å; G168-T172 PolarHBondContact O-N 3.36Å; G168-T172 PolarHBondContact O-OG1 3.47Å
169I87Confident76.7Confident7 Ų749.7 Ų49.74%0.03625%0.245CC..Hα-helixtrans-56.7-54.1175.6-61.8169.4000110.4L163 H165 W166 H171 T172 F173 T280 V284L163-I169 WeakPolarHBondContact O-CD1 3.49Å; L163-I169 VanDerWaalsContact O-CG1 3.23Å; L163-I169 WeakPolarHBondContact O-CG1 3.27Å; H165-I169 WeakPolarHBondContact O-CG1 3.33Å; H165-I169 PolarHBondContact O-N 3.09Å; W166-I169 HydrophobicContact CE3-CD1 4.28Å; W166-I169 PolarHBondContact O-N 3Å; I169-H171 VanDerWaalsContact C-N 3.27Å; I169-H171 PolarHBondContact O-N 3.3Å; I169-T172 PolarHBondContact O-N 2.86Å; I169-F173 HydrophobicContact CG2-CD2 3.9Å; I169-F173 HydrophobicContact CG2-CE2 4.22Å; I169-F173 VanDerWaalsContact O-CD2 3.27Å; I169-F173 WeakPolarHBondContact O-CD2 3.27Å; I169-F173 PolarHBondContact O-N 3.19Å; I169-F173 VanDerWaalsContact O-N 3.07Å; I169-T280 HydrophobicContact CD1-CG2 3.8Å; I169-V284 HydrophobicContact CD1-CG2 3.49Å; I169-V284 VanDerWaalsContact CD1-CG2 3.49Å; I169-V284 HydrophobicContact CG1-CG2 3.68Å; I169-V284 HydrophobicContact CG2-CG2 4.36Å
170V84.1Confident74.4Confident91 Ų9151.6 Ų51.655%0.55226%0.257SS*.Hα-helixtrans-57.9-42.8-178.4172.10000110.9W166 G168 A174W166-V170 WeakPolarHBondContact O-CG2 3.44Å; W166-V170 PolarHBondContact O-N 3.32Å; G168-V170 PolarHBondContact O-N 3.01Å; V170-A174 VanDerWaalsContact O-CB 3.24Å; V170-A174 WeakPolarHBondContact O-CB 3.34Å; V170-A174 PolarHBondContact O-N 3.42Å
171H79Confident71.8Confident16 Ų1656.2 Ų56.27%0.07429%0.29CS..Hα-helixtrans-75.2-34.1-178.5-82.2-66.9000114.5F100 R113 F117 A167 G168 I169 F173F100-H171 VanDerWaalsContact CB-CD2 3.46Å; F100-H171 WeakPolarHBondContact CB-CD2 3.2Å; F100-H171 HydrophobicContact CD2-CB 4.24Å; F100-H171 AromaticContact CD2-CD2 3.57Å; F100-H171 AromaticContact CD2-CG 3.98Å; F100-H171 HydrophobicContact CE2-CB 4.23Å; F100-H171 AromaticContact CG-CD2 3.45Å; F100-H171 VanDerWaalsContact CG-CD2 3.45Å; F100-H171 WeakPolarHBondContact CG-CD2 3.37Å; F100-H171 AromaticContact CG-NE2 3.79Å; R113-H171 PolarHBondContact NH1-CE1 2.56Å; R113-H171 PolarHBondContact NH1-NE2 2.97Å; F117-H171 HydrophobicContact CE2-CB 3.7Å; F117-H171 HydrophobicContact CZ-CB 4.45Å; A167-H171 WeakPolarHBondContact O-CB 3.32Å; A167-H171 PolarHBondContact O-CD2 2.98Å; A167-H171 PolarHBondContact O-N 3.04Å; G168-H171 PolarHBondContact O-N 3.4Å; I169-H171 VanDerWaalsContact C-N 3.27Å; I169-H171 PolarHBondContact O-N 3.3Å; H171-F173 VanDerWaalsContact C-N 3.35Å
172T81.8Confident69.3Low0 Ų058.2 Ų58.20%030%0.303CS..Hα-helixtrans-68.9-34.6176.8-58.50000111.8F117 M159 L163 G168 I169 P195 I196F117-T172 WeakPolarHBondContact CE1-OG1 3.35Å; F117-T172 WeakPolarHBondContact CZ-OG1 3.39Å; M159-T172 HydrophobicContact CE-CG2 3.65Å; L163-T172 HydrophobicContact CD2-CG2 3.87Å; G168-T172 VanDerWaalsContact O-CB 3.28Å; G168-T172 WeakPolarHBondContact O-CB 3.47Å; G168-T172 PolarHBondContact O-N 3.36Å; G168-T172 PolarHBondContact O-OG1 3.47Å; I169-T172 PolarHBondContact O-N 2.86Å; T172-P195 HydrophobicContact CG2-CB 3.8Å; T172-P195 WeakPolarHBondContact O-CD 3.19Å; T172-I196 HydrophobicContact CG2-CD1 4.4Å
173F80.3Confident66.8Low35 Ų3564.2 Ų64.215%0.15434%0.339CS..Hα-helixtrans-98-6.6-179.6-70-78.2000114.4L163 I169 H171 Q175 I196 V284 C287 L288L163-F173 HydrophobicContact CD2-CE2 3.97Å; I169-F173 HydrophobicContact CG2-CD2 3.9Å; I169-F173 HydrophobicContact CG2-CE2 4.22Å; I169-F173 VanDerWaalsContact O-CD2 3.27Å; I169-F173 WeakPolarHBondContact O-CD2 3.27Å; I169-F173 PolarHBondContact O-N 3.19Å; I169-F173 VanDerWaalsContact O-N 3.07Å; H171-F173 VanDerWaalsContact C-N 3.35Å; F173-Q175 PolarHBondContact O-N 2.95Å; F173-Q175 VanDerWaalsContact O-N 3.15Å; F173-I196 HydrophobicContact CD1-CB 4.15Å; F173-I196 HydrophobicContact CD1-CG1 4.23Å; F173-I196 HydrophobicContact CD1-CG2 4.07Å; F173-I196 HydrophobicContact CE1-CB 4Å; F173-I196 HydrophobicContact CE1-CD1 3.75Å; F173-I196 HydrophobicContact CE1-CG1 3.57Å; F173-I196 HydrophobicContact CE1-CG2 4.24Å; F173-I196 HydrophobicContact CZ-CD1 3.74Å; F173-I196 HydrophobicContact CZ-CG1 4.11Å; F173-V284 HydrophobicContact CE2-CG1 4.09Å; F173-V284 HydrophobicContact CZ-CG1 4.19Å; F173-C287 HydrophobicContact CD1-CB 3.58Å; F173-C287 HydrophobicContact CD2-CB 4.04Å; F173-C287 HydrophobicContact CE1-CB 3.32Å; F173-C287 HydrophobicContact CE2-CB 3.85Å; F173-C287 HydrophobicContact CG-CB 3.93Å; F173-C287 HydrophobicContact CZ-CB 3.48Å; F173-C287 VanDerWaalsContact CZ-CB 3.48Å; F173-L288 HydrophobicContact CE1-CD2 4.5Å; F173-L288 HydrophobicContact CZ-CD2 4.25Å; F173-L288 HydrophobicContact CZ-CG 4.06Å
174A71.2Confident64.3Low30 Ų3070.6 Ų70.625%0.24837%0.374CS..  trans-60.7119.9174.500000109.7V170 V176V170-A174 VanDerWaalsContact O-CB 3.24Å; V170-A174 WeakPolarHBondContact O-CB 3.34Å; V170-A174 PolarHBondContact O-N 3.42Å; A174-V176 HydrophobicContact CB-CG2 4.47Å; A174-V176 PolarHBondContact O-N 3Å
175Q58.5Low61.9Low179 Ų17974.8 Ų74.884%0.83639%0.389SS*.  trans-72.937.6-177.4-65.8-172.6-15.400113.6F173 K177F173-Q175 PolarHBondContact O-N 2.95Å; F173-Q175 VanDerWaalsContact O-N 3.15Å; Q175-K177 PolarHBondContact O-N 2.9Å; Q175-K177 VanDerWaalsContact O-N 3.09Å
176V54.5Low59.4Low49 Ų4976.7 Ų76.730%0.29741%0.406SS..  trans-85.293.4177.3-168.30000108.2V110 I111 A174 T178V110-V176 HydrophobicContact CB-CB 4.49Å; V110-V176 HydrophobicContact CB-CG1 4.44Å; V110-V176 HydrophobicContact CB-CG2 3.92Å; V110-V176 HydrophobicContact CG1-CB 3.98Å; V110-V176 HydrophobicContact CG1-CG1 4.41Å; V110-V176 HydrophobicContact CG1-CG2 3.48Å; V110-V176 VanDerWaalsContact CG1-CG2 3.48Å; V110-V176 HydrophobicContact CG2-CG2 4.47Å; I111-V176 HydrophobicContact CG1-CG1 4.02Å; A174-V176 HydrophobicContact CB-CG2 4.47Å; A174-V176 PolarHBondContact O-N 3Å; V176-T178 HydrophobicContact CB-CG2 4.41Å; V176-T178 HydrophobicContact CG1-CG2 3.58Å; V176-T178 PolarHBondContact O-N 3.24Å
177K52Low57Low128 Ų12873.2 Ų73.256%0.55740%0.398SS*.  trans-68.6100.9169.5-74.3-168.3178.2-176.50108.7Q175 T192Q175-K177 PolarHBondContact O-N 2.9Å; Q175-K177 VanDerWaalsContact O-N 3.09Å; K177-T192 HydrophobicContact CB-CG2 4.45Å; K177-T192 WeakPolarHBondContact CG-O 3.28Å
178T45Very low54.7Low2 Ų281.4 Ų81.41%0.01244%0.441CS..  trans-109.2132.7-178.858.80000111.3I111 H118 V176 V180I111-T178 HydrophobicContact CB-CG2 3.8Å; I111-T178 HydrophobicContact CD1-CG2 4.1Å; I111-T178 HydrophobicContact CG1-CG2 3.56Å; I111-T178 HydrophobicContact CG2-CG2 3.64Å; H118-T178 PolarHBondContact NE2-OG1 3.4Å; V176-T178 HydrophobicContact CB-CG2 4.41Å; V176-T178 HydrophobicContact CG1-CG2 3.58Å; V176-T178 PolarHBondContact O-N 3.24Å; T178-V180 PolarHBondContact O-N 2.8Å; T178-V180 VanDerWaalsContact O-N 3.15Å
179P42.1Very low52.4Low101 Ų10188.2 Ų88.266%0.65648%0.476SS*.  trans-66.6114.1163.427.9-29000106.9S181P179-S181 VanDerWaalsContact C-N 3.29Å; P179-S181 PolarHBondContact O-N 2.82Å
180V41.3Very low50.4Low46 Ų4690.4 Ų90.428%0.27949%0.49SS..  trans-77.387.5176.9-172.20000107H118 T178 C182H118-V180 HydrophobicContact CB-CG1 4.36Å; H118-V180 HydrophobicContact CB-CG2 4.21Å; T178-V180 PolarHBondContact O-N 2.8Å; T178-V180 VanDerWaalsContact O-N 3.15Å; V180-C182 HydrophobicContact CG1-CB 4.46Å; V180-C182 WeakPolarHBondContact CG1-SG 3.37Å; V180-C182 PolarHBondContact O-N 3.04Å; V180-C182 VanDerWaalsContact O-N 3.1Å
181S36.7Very low48.6Very low106 Ų10690.1 Ų90.174%0.74149%0.49SS*.  trans-79.179.9158.670.80000107.1P179 V183P179-S181 VanDerWaalsContact C-N 3.29Å; P179-S181 PolarHBondContact O-N 2.82Å; S181-V183 PolarHBondContact O-N 3.43Å; S181-V183 VanDerWaalsContact O-N 3.08Å
182C37.5Very low47.7Very low65 Ų6591.9 Ų91.944%0.43950%0.502SS..  trans-60.4112.5156.9-70.90000105.6V180 D184V180-C182 HydrophobicContact CG1-CB 4.46Å; V180-C182 WeakPolarHBondContact CG1-SG 3.37Å; V180-C182 PolarHBondContact O-N 3.04Å; V180-C182 VanDerWaalsContact O-N 3.1Å; C182-D184 PolarHBondContact O-N 3.09Å
183V36.4Very low46.7Very low127 Ų12792.7 Ų92.777%0.7751%0.508SS*.SBendtrans-57.2114.8171.4178.30000106.1S181S181-V183 PolarHBondContact O-N 3.43Å; S181-V183 VanDerWaalsContact O-N 3.08Å
184D35.5Very low46.4Very low135 Ų13591.5 Ų91.572%0.72250%0.503SS*.SBendtrans71.3101.4178.8-57.9-41.1000117.4C182C182-D184 PolarHBondContact O-N 3.09Å
185R37Very low46.7Very low221 Ų22190.3 Ų90.383%0.83449%0.493SS*.SBendtrans94.1116145-64.6-175.2-177.4-166.51.2120.1
186V33.7Very low47.8Very low108 Ų10882 Ų8266%0.65546%0.455SS*.SBendtrans113.4-9.4131.4174.80000120.7
187L33.9Very low49.1Very low84 Ų8483 Ų8344%0.4446%0.456SS..  trans-136.196.4166.3-77.5165.9000112.5D126 L189 V190D126-L187 HydrophobicContact CB-CD1 4.38Å; D126-L187 WeakPolarHBondContact OD2-CD1 3.46Å; L187-L189 HydrophobicContact CD2-CB 4.37Å; L187-L189 PolarHBondContact O-N 3.24Å; L187-V190 HydrophobicContact CB-CG2 4.49Å
188D36.2Very low50.4Low180 Ų18077 Ų7796%0.96343%0.43SS*.THydrogen-bonded Turntrans-64.420.4162.3-79.7-31.8000112.9
189L37.5Very low52.4Low142 Ų14277 Ų7774%0.74343%0.43SS*.THydrogen-bonded Turntrans-137.517.6-161.2-92.5160.6000115.3L187 P191L187-L189 HydrophobicContact CD2-CB 4.37Å; L187-L189 PolarHBondContact O-N 3.24Å; L189-P191 VanDerWaalsContact O-CD 3.22Å; L189-P191 WeakPolarHBondContact O-CD 3.4Å
190V44.5Very low54.6Low54 Ų5472.8 Ų72.833%0.32740%0.402SS..  trans-97.8101.8168.3-169.70000108.9L187L187-V190 HydrophobicContact CB-CG2 4.49Å
191P46.5Very low56.6Low84 Ų8473.2 Ų73.255%0.54540%0.402SS..  trans-62.7155.6175.328.5-30.8000108.2L189 C193L189-P191 VanDerWaalsContact O-CD 3.22Å; L189-P191 WeakPolarHBondContact O-CD 3.4Å; P191-C193 PolarHBondContact O-N 3.35Å
192T58.7Low58.9Low54 Ų5468.2 Ų68.233%0.33137%0.367SS..SBendtrans-56.482.4178.159.70000111.3K177K177-T192 HydrophobicContact CB-CG2 4.45Å; K177-T192 WeakPolarHBondContact CG-O 3.28Å
193C62.4Low61.3Low17 Ų1765.2 Ų65.212%0.11535%0.347CS..  trans-109.9133.4-176.7-75.40000109.1P191 E197P191-C193 PolarHBondContact O-N 3.35Å; C193-E197 VanDerWaalsContact CA-OE2 3.29Å; C193-E197 WeakPolarHBondContact CA-OE2 3.41Å; C193-E197 HydrophobicContact CB-CB 4.07Å
194S72.9Confident63.7Low9 Ų965.2 Ų65.26%0.06333%0.333CS..  trans-64.5154.9166.458.90000109.8I196 E197 S198S194-I196 PolarHBondContact O-N 2.97Å; S194-I196 VanDerWaalsContact O-N 3.11Å; S194-E197 PolarHBondContact N-OE2 3.19Å; S194-E197 WeakPolarHBondContact O-CB 3.37Å; S194-E197 PolarHBondContact O-N 2.96Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.26Å; S194-E197 PolarHBondContact OG-N 2.7Å; S194-E197 PolarHBondContact OG-OE2 3.4Å; S194-E197 VanDerWaalsContact OG-OE2 3.08Å; S194-S198 PolarHBondContact O-N 2.91Å; S194-S198 VanDerWaalsContact O-N 3.09Å
195P77Confident66Low5 Ų562 Ų623%0.03231%0.314CS..Hα-helixtrans-55.1-31.3177.7-28.436.6000114.7F117 L121 M159 T172 L199F117-P195 HydrophobicContact CB-CB 3.92Å; F117-P195 HydrophobicContact CB-CG 3.42Å; F117-P195 VanDerWaalsContact CB-CG 3.42Å; F117-P195 HydrophobicContact CD1-CB 4.17Å; F117-P195 HydrophobicContact CD1-CG 4.31Å; F117-P195 HydrophobicContact CD2-CG 4.19Å; F117-P195 HydrophobicContact CG-CB 4.09Å; F117-P195 HydrophobicContact CG-CG 3.73Å; L121-P195 VanDerWaalsContact CD1-CA 3.46Å; L121-P195 HydrophobicContact CD1-CB 3.9Å; L121-P195 HydrophobicContact CD1-CG 4.13Å; L121-P195 HydrophobicContact CD2-CB 4.45Å; L121-P195 WeakPolarHBondContact CD2-O 3.26Å; M159-P195 HydrophobicContact CE-CB 4Å; T172-P195 HydrophobicContact CG2-CB 3.8Å; T172-P195 WeakPolarHBondContact O-CD 3.19Å; P195-L199 PolarHBondContact O-N 2.9Å
196I83.2Confident68.2Low5 Ų561.1 Ų61.13%0.02632%0.317CS..Hα-helixtrans-71.7-41.3173.8-15471.7000112.9T172 F173 S194 S198 L199 M200 L288T172-I196 HydrophobicContact CG2-CD1 4.4Å; F173-I196 HydrophobicContact CD1-CB 4.15Å; F173-I196 HydrophobicContact CD1-CG1 4.23Å; F173-I196 HydrophobicContact CD1-CG2 4.07Å; F173-I196 HydrophobicContact CE1-CB 4Å; F173-I196 HydrophobicContact CE1-CD1 3.75Å; F173-I196 HydrophobicContact CE1-CG1 3.57Å; F173-I196 HydrophobicContact CE1-CG2 4.24Å; F173-I196 HydrophobicContact CZ-CD1 3.74Å; F173-I196 HydrophobicContact CZ-CG1 4.11Å; S194-I196 PolarHBondContact O-N 2.97Å; S194-I196 VanDerWaalsContact O-N 3.11Å; I196-S198 PolarHBondContact O-N 3.23Å; I196-L199 HydrophobicContact CD1-CD2 4.14Å; I196-L199 WeakPolarHBondContact O-CB 3.27Å; I196-L199 PolarHBondContact O-N 3.19Å; I196-L199 VanDerWaalsContact O-N 3.1Å; I196-M200 VanDerWaalsContact O-CG 3.31Å; I196-M200 WeakPolarHBondContact O-CG 3.39Å; I196-M200 PolarHBondContact O-N 3.49Å; I196-L288 HydrophobicContact CD1-CD2 3.24Å; I196-L288 HydrophobicContact CD1-CG 4.37Å; I196-L288 HydrophobicContact CG1-CD2 3.75Å
197E80.6Confident70.6Confident71 Ų7158.2 Ų58.233%0.33230%0.301SS..Hα-helixtrans-60.2-34.5175.8-77167.9153.700111.4C193 S194 M200 L201C193-E197 VanDerWaalsContact CA-OE2 3.29Å; C193-E197 WeakPolarHBondContact CA-OE2 3.41Å; C193-E197 HydrophobicContact CB-CB 4.07Å; S194-E197 PolarHBondContact N-OE2 3.19Å; S194-E197 WeakPolarHBondContact O-CB 3.37Å; S194-E197 PolarHBondContact O-N 2.96Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.26Å; S194-E197 PolarHBondContact OG-N 2.7Å; S194-E197 PolarHBondContact OG-OE2 3.4Å; S194-E197 VanDerWaalsContact OG-OE2 3.08Å; E197-M200 CarbonylContact O-C 3.44Å; E197-M200 WeakPolarHBondContact O-CB 3.47Å; E197-M200 PolarHBondContact O-N 3.07Å; E197-L201 WeakPolarHBondContact O-CB 3.41Å; E197-L201 WeakPolarHBondContact O-CG 3.39Å; E197-L201 PolarHBondContact O-N 3.4Å
198S80.4Confident73Confident2 Ų257.7 Ų57.71%0.01430%0.296CS..Hα-helixtrans-69.1-37.2174.9-66.10000113.2S194 I196 M200 L201 G202S194-S198 PolarHBondContact O-N 2.91Å; S194-S198 VanDerWaalsContact O-N 3.09Å; I196-S198 PolarHBondContact O-N 3.23Å; S198-M200 VanDerWaalsContact C-N 3.31Å; S198-L201 WeakPolarHBondContact O-CB 3.39Å; S198-L201 PolarHBondContact O-N 3.33Å; S198-G202 PolarHBondContact O-N 3.24Å
199L86.9Confident75.4Confident2 Ų252.5 Ų52.51%0.0127%0.269CS..Hα-helixtrans-61.3-42.4168.8-178.367.5000110.8L124 P195 I196 L201 G202 L203 A214 I217 L218L124-L199 HydrophobicContact CD2-CD1 4.33Å; P195-L199 PolarHBondContact O-N 2.9Å; I196-L199 HydrophobicContact CD1-CD2 4.14Å; I196-L199 WeakPolarHBondContact O-CB 3.27Å; I196-L199 PolarHBondContact O-N 3.19Å; I196-L199 VanDerWaalsContact O-N 3.1Å; L199-L201 VanDerWaalsContact C-N 3.32Å; L199-L201 PolarHBondContact O-N 2.88Å; L199-G202 PolarHBondContact O-N 3.44Å; L199-L203 PolarHBondContact O-N 2.9Å; L199-A214 HydrophobicContact CD1-CB 3.93Å; L199-I217 HydrophobicContact CD1-CB 4.35Å; L199-I217 HydrophobicContact CD1-CD1 3.93Å; L199-I217 HydrophobicContact CD1-CG2 4.22Å; L199-I217 HydrophobicContact CD2-CG2 4.33Å; L199-L218 HydrophobicContact CD2-CD2 4.05Å
200M87.4Confident77.8Confident11 Ų1146.2 Ų46.25%0.05424%0.236CC..Hα-helixtrans-63.8-36.2175.7-61.1-44.9-60.600112.5I196 E197 S198 L203 L293 V296I196-M200 VanDerWaalsContact O-CG 3.31Å; I196-M200 WeakPolarHBondContact O-CG 3.39Å; I196-M200 PolarHBondContact O-N 3.49Å; E197-M200 CarbonylContact O-C 3.44Å; E197-M200 WeakPolarHBondContact O-CB 3.47Å; E197-M200 PolarHBondContact O-N 3.07Å; S198-M200 VanDerWaalsContact C-N 3.31Å; M200-L203 HydrophobicContact CE-CD1 4.06Å; M200-L203 PolarHBondContact O-N 3.19Å; M200-L203 HydrophobicContact SD-CD1 4.3Å; M200-L293 HydrophobicContact CE-CB 4.31Å; M200-L293 HydrophobicContact CE-CD1 3.77Å; M200-L293 HydrophobicContact SD-CB 4.42Å; M200-L293 HydrophobicContact SD-CD1 3.77Å; M200-V296 HydrophobicContact CE-CB 3.28Å; M200-V296 HydrophobicContact CE-CG1 3.71Å; M200-V296 HydrophobicContact CE-CG2 3.23Å
201L84.5Confident79.9Confident56 Ų5643.9 Ų43.929%0.29322%0.221SC..Hα-helixtrans-66.5-41.4173.5-77.7163.9000111.3I125 E197 S198 L199 L203 R204 M205I125-L201 HydrophobicContact CD1-CB 4.41Å; I125-L201 HydrophobicContact CD1-CD1 4.5Å; E197-L201 WeakPolarHBondContact O-CB 3.41Å; E197-L201 WeakPolarHBondContact O-CG 3.39Å; E197-L201 PolarHBondContact O-N 3.4Å; S198-L201 WeakPolarHBondContact O-CB 3.39Å; S198-L201 PolarHBondContact O-N 3.33Å; L199-L201 VanDerWaalsContact C-N 3.32Å; L199-L201 PolarHBondContact O-N 2.88Å; L201-L203 VanDerWaalsContact C-N 3.27Å; L201-L203 PolarHBondContact O-N 2.89Å; L201-R204 CarbonylContact O-C 3.54Å; L201-R204 WeakPolarHBondContact O-CA 3.49Å; L201-R204 WeakPolarHBondContact O-CB 3.36Å; L201-R204 PolarHBondContact O-N 3.39Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 3.39Å
202G85.2Confident82.1Confident0 Ų042.3 Ų42.30%021%0.207CC..Hα-helixtrans-54.6-41.717500000112.9S198 L199 R204 M205S198-G202 PolarHBondContact O-N 3.24Å; L199-G202 PolarHBondContact O-N 3.44Å; G202-R204 PolarHBondContact O-N 3.22Å; G202-M205 PolarHBondContact O-N 2.83Å
203L87.5Confident83.6Confident2 Ų240.2 Ų40.21%0.0119%0.194CC..Hα-helixtrans-63.6-25.9174.4-66.6170.2000113.6L199 M200 L201 A214 V215 L218 L293 V296 L297L199-L203 PolarHBondContact O-N 2.9Å; M200-L203 HydrophobicContact CE-CD1 4.06Å; M200-L203 PolarHBondContact O-N 3.19Å; M200-L203 HydrophobicContact SD-CD1 4.3Å; L201-L203 VanDerWaalsContact C-N 3.27Å; L201-L203 PolarHBondContact O-N 2.89Å; L203-A214 HydrophobicContact CD2-CB 3.69Å; L203-A214 HydrophobicContact CG-CB 3.96Å; L203-V215 HydrophobicContact CD2-CG2 3.7Å; L203-L218 HydrophobicContact CD1-CD1 4.2Å; L203-L293 HydrophobicContact CD1-CD1 4Å; L203-V296 HydrophobicContact CB-CG1 3.9Å; L203-V296 HydrophobicContact CD1-CG1 4.2Å; L203-L297 HydrophobicContact CD1-CD2 3.94Å; L203-L297 HydrophobicContact CD2-CD2 4.12Å
204R86.6Confident85Confident127 Ų12739.4 Ų39.448%0.47919%0.188SC..Hα-helixtrans-94.9-8.1-180-68.4175.3165.9160.6-5.4113.6L201 G202 V296 E299L201-R204 CarbonylContact O-C 3.54Å; L201-R204 WeakPolarHBondContact O-CA 3.49Å; L201-R204 WeakPolarHBondContact O-CB 3.36Å; L201-R204 PolarHBondContact O-N 3.39Å; G202-R204 PolarHBondContact O-N 3.22Å; R204-V296 HydrophobicContact CG-CG1 3.82Å; R204-E299 IonicContact CZ-OE2 3.97Å; R204-E299 IonicContact NE-OE2 2.69Å; R204-E299 IonicContact NH2-OE2 3.31Å; R204-E299 PolarHBondContact NH2-OE2 3.25Å
205M84.2Confident86Confident67 Ų6739 Ų3933%0.3319%0.185SC..SBendtrans-63.7163.4177.3-74-6782.500111.6I125 L201 G202 I210 Q211I125-M205 HydrophobicContact CG2-SD 4.34Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 3.39Å; G202-M205 PolarHBondContact O-N 2.83Å; M205-I210 HydrophobicContact CB-CG2 4.26Å; M205-I210 HydrophobicContact CG-CG2 4.35Å; M205-Q211 PolarHBondContact O-NE2 2.92Å
206K81.8Confident86.9Confident204 Ų20440 Ų4089%0.88719%0.19SC*.SBendtrans-84.4-29.1177.5-68.4-177.1179.4178.80112.8E208 Q211K206-E208 PolarHBondContact O-N 3.49Å; K206-Q211 PolarHBondContact O-NE2 3.31Å
207S84.7Confident87.3Confident47 Ų4739.9 Ų39.933%0.32919%0.189SC..  trans-65.1126179.6-179.30000111.1Q211S207-Q211 VanDerWaalsContact O-CG 3.26Å; S207-Q211 WeakPolarHBondContact O-CG 3.24Å; S207-Q211 PolarHBondContact O-N 3.49Å
208E85Confident88Confident72 Ų7236.7 Ų36.734%0.33617%0.174SC..Hα-helixtrans-67.5-40.5179.6-172.3164-141.900111.6K206 I210 Q211 E212 R307 L309K206-E208 PolarHBondContact O-N 3.49Å; E208-I210 VanDerWaalsContact C-N 3.29Å; E208-I210 PolarHBondContact O-N 2.93Å; E208-Q211 PolarHBondContact O-N 2.83Å; E208-E212 WeakPolarHBondContact O-CB 3.26Å; E208-E212 PolarHBondContact O-N 2.91Å; E208-R307 IonicContact OE1-CZ 2.84Å; E208-R307 VanDerWaalsContact OE1-CZ 3.3Å; E208-R307 IonicContact OE1-NE 3.49Å; E208-R307 PolarHBondContact OE1-NE 3.45Å; E208-R307 IonicContact OE1-NH2 3.56Å; E208-R307 PolarHBondContact OE1-NH2 3.16Å; E208-R307 IonicContact OE2-CZ 3.71Å; E208-R307 IonicContact OE2-NE 3.92Å; E208-R307 IonicContact OE2-NH2 3.49Å; E208-R307 PolarHBondContact OE2-NH2 3.45Å; E208-L309 HydrophobicContact CG-CD2 4.38Å
209N86.4Confident88.7Confident72 Ų7236.6 Ų36.639%0.38517%0.173SC..Hα-helixtrans-59.4-39.8178.9-60.81.7000112.3L152 T213L152-N209 HydrophobicContact CD1-CB 4Å; N209-T213 WeakPolarHBondContact O-CB 3.49Å; N209-T213 PolarHBondContact O-N 3.49Å; N209-T213 PolarHBondContact O-OG1 2.94Å
210I87.2Confident89Confident9 Ų938.2 Ų38.25%0.04618%0.182CC..Hα-helixtrans-69.2-45.4178.3-63.3175.5000110.2L124 M205 E208 E212 T213 A214L124-I210 HydrophobicContact CD1-CG2 4.41Å; L124-I210 HydrophobicContact CG-CG2 4.39Å; L124-I210 WeakPolarHBondContact O-CD1 3.35Å; L124-I210 WeakPolarHBondContact O-CG1 3.43Å; L124-I210 WeakPolarHBondContact O-CG2 3.44Å; M205-I210 HydrophobicContact CB-CG2 4.26Å; M205-I210 HydrophobicContact CG-CG2 4.35Å; E208-I210 VanDerWaalsContact C-N 3.29Å; E208-I210 PolarHBondContact O-N 2.93Å; I210-E212 VanDerWaalsContact C-N 3.33Å; I210-E212 PolarHBondContact O-N 3.32Å; I210-T213 PolarHBondContact O-N 2.83Å; I210-A214 WeakPolarHBondContact O-CB 3.4Å; I210-A214 PolarHBondContact O-N 3.18Å
211Q89.7Confident89.3Confident5 Ų537.9 Ų37.92%0.02318%0.18CC..Hα-helixtrans-61.9-44177.5-6616221.400111.1M205 K206 S207 E208 A214 V215 L309M205-Q211 PolarHBondContact O-NE2 2.92Å; K206-Q211 PolarHBondContact O-NE2 3.31Å; S207-Q211 VanDerWaalsContact O-CG 3.26Å; S207-Q211 WeakPolarHBondContact O-CG 3.24Å; S207-Q211 PolarHBondContact O-N 3.49Å; E208-Q211 PolarHBondContact O-N 2.83Å; Q211-A214 PolarHBondContact O-N 3.46Å; Q211-V215 WeakPolarHBondContact O-CG2 3.45Å; Q211-V215 PolarHBondContact O-N 3.05Å; Q211-L309 HydrophobicContact CB-CD2 3.6Å
212E91.5Very high89.6Confident52 Ų5235.5 Ų35.524%0.24317%0.168CC..Hα-helixtrans-60.6-51177.9-179.9158.4-137.800110.6E208 I210 A214 V215 E216 L309 K312E208-E212 WeakPolarHBondContact O-CB 3.26Å; E208-E212 PolarHBondContact O-N 2.91Å; I210-E212 VanDerWaalsContact C-N 3.33Å; I210-E212 PolarHBondContact O-N 3.32Å; E212-A214 VanDerWaalsContact C-N 3.27Å; E212-A214 PolarHBondContact O-N 3.25Å; E212-V215 CarbonylContact O-C 3.53Å; E212-V215 PolarHBondContact O-N 3.42Å; E212-E216 HydrophobicContact CG-CG 4.21Å; E212-E216 WeakPolarHBondContact O-CB 3.41Å; E212-E216 VanDerWaalsContact O-CG 3.28Å; E212-E216 WeakPolarHBondContact O-CG 3.36Å; E212-E216 PolarHBondContact O-N 3.49Å; E212-L309 HydrophobicContact CB-CD1 4.15Å; E212-L309 HydrophobicContact CB-CD2 4.5Å; E212-L309 HydrophobicContact CG-CD1 4.4Å; E212-K312 IonicContact OE1-NZ 3.15Å
213T90.5Very high89.7Confident9 Ų937.7 Ų37.76%0.05519%0.191CC..Hα-helixtrans-56.6-41.5176.3-54.50000111.8L124 L152 R156 N209 I210 E216 I217L124-T213 HydrophobicContact CD1-CG2 4.13Å; L152-T213 HydrophobicContact CB-CG2 4.01Å; L152-T213 HydrophobicContact CD2-CG2 4.32Å; L152-T213 WeakPolarHBondContact O-CG2 3.41Å; R156-T213 HydrophobicContact CB-CG2 4.1Å; N209-T213 WeakPolarHBondContact O-CB 3.49Å; N209-T213 PolarHBondContact O-N 3.49Å; N209-T213 PolarHBondContact O-OG1 2.94Å; I210-T213 PolarHBondContact O-N 2.83Å; T213-E216 PolarHBondContact O-N 3.29Å; T213-I217 HydrophobicContact CG2-CD1 4.37Å; T213-I217 VanDerWaalsContact O-CG1 3.28Å; T213-I217 WeakPolarHBondContact O-CG1 3.23Å; T213-I217 PolarHBondContact O-N 3.38Å
214A92.2Very high89.8Confident0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-65.4-40.2177.200000112.5L199 L203 I210 Q211 E212 L218L199-A214 HydrophobicContact CD1-CB 3.93Å; L203-A214 HydrophobicContact CD2-CB 3.69Å; L203-A214 HydrophobicContact CG-CB 3.96Å; I210-A214 WeakPolarHBondContact O-CB 3.4Å; I210-A214 PolarHBondContact O-N 3.18Å; Q211-A214 PolarHBondContact O-N 3.46Å; E212-A214 VanDerWaalsContact C-N 3.27Å; E212-A214 PolarHBondContact O-N 3.25Å; A214-L218 WeakPolarHBondContact O-CG 3.47Å; A214-L218 PolarHBondContact O-N 2.92Å
215V94.5Very high89.7Confident0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-66.3-41.7173.8171.10000110.7L203 Q211 E212 I217 L218 C219 L309 K312 I313 L316L203-V215 HydrophobicContact CD2-CG2 3.7Å; Q211-V215 WeakPolarHBondContact O-CG2 3.45Å; Q211-V215 PolarHBondContact O-N 3.05Å; E212-V215 CarbonylContact O-C 3.53Å; E212-V215 PolarHBondContact O-N 3.42Å; V215-I217 PolarHBondContact O-N 3.14Å; V215-L218 WeakPolarHBondContact O-CB 3.42Å; V215-L218 PolarHBondContact O-N 3.35Å; V215-C219 PolarHBondContact O-N 3.25Å; V215-C219 PolarHBondContact O-SG 2.96Å; V215-L309 HydrophobicContact CB-CD1 4.17Å; V215-L309 HydrophobicContact CG1-CD1 4.34Å; V215-L309 HydrophobicContact CG2-CD1 4.08Å; V215-K312 HydrophobicContact CG1-CD 3.99Å; V215-K312 HydrophobicContact CG1-CG 4.28Å; V215-I313 HydrophobicContact CG1-CG1 4.41Å; V215-I313 HydrophobicContact CG2-CD1 3.95Å; V215-I313 HydrophobicContact CG2-CG1 3.63Å; V215-L316 HydrophobicContact CG1-CD2 4.16Å
216E94.2Very high90Very high28 Ų2835.7 Ų35.713%0.13119%0.191CC..Hα-helixtrans-63.8-38.5178.3-72-179.2168.200112.8R156 E212 T213 L218 C219 D220 V227R156-E216 WeakPolarHBondContact CD-OE2 3.29Å; R156-E216 IonicContact CZ-OE2 3.31Å; R156-E216 IonicContact NE-OE2 3.29Å; R156-E216 IonicContact NH1-OE1 2.67Å; R156-E216 IonicContact NH1-OE2 3.93Å; R156-E216 PolarHBondContact NH1-OE2 3.16Å; E212-E216 HydrophobicContact CG-CG 4.21Å; E212-E216 WeakPolarHBondContact O-CB 3.41Å; E212-E216 VanDerWaalsContact O-CG 3.28Å; E212-E216 WeakPolarHBondContact O-CG 3.36Å; E212-E216 PolarHBondContact O-N 3.49Å; T213-E216 PolarHBondContact O-N 3.29Å; E216-L218 VanDerWaalsContact C-N 3.29Å; E216-L218 PolarHBondContact O-N 3.49Å; E216-C219 PolarHBondContact O-N 3.07Å; E216-D220 WeakPolarHBondContact O-CB 3.4Å; E216-D220 PolarHBondContact O-N 3.44Å; E216-V227 HydrophobicContact CB-CG1 3.87Å; E216-V227 HydrophobicContact CG-CG1 3.85Å
217I93.1Very high90.3Very high1 Ų126.3 Ų26.31%0.00515%0.151CC..Hα-helixtrans-55.7-46.3171.9-73.6165.1000110.6R156 M159 V160 L199 T213 V215 L221R156-I217 HydrophobicContact CB-CD1 4.45Å; R156-I217 HydrophobicContact CB-CG1 3.84Å; R156-I217 HydrophobicContact CG-CG1 3.91Å; M159-I217 HydrophobicContact CB-CD1 4.28Å; M159-I217 HydrophobicContact CB-CG2 4.43Å; M159-I217 HydrophobicContact CG-CG2 4.41Å; V160-I217 HydrophobicContact CG2-CG2 4.28Å; L199-I217 HydrophobicContact CD1-CB 4.35Å; L199-I217 HydrophobicContact CD1-CD1 3.93Å; L199-I217 HydrophobicContact CD1-CG2 4.22Å; L199-I217 HydrophobicContact CD2-CG2 4.33Å; T213-I217 HydrophobicContact CG2-CD1 4.37Å; T213-I217 VanDerWaalsContact O-CG1 3.28Å; T213-I217 WeakPolarHBondContact O-CG1 3.23Å; T213-I217 PolarHBondContact O-N 3.38Å; V215-I217 PolarHBondContact O-N 3.14Å; I217-L221 VanDerWaalsContact O-CB 3.27Å; I217-L221 WeakPolarHBondContact O-CB 3.4Å; I217-L221 PolarHBondContact O-N 3.42Å
218L94.8Very high90.4Very high4 Ų430.2 Ų30.22%0.02117%0.168CC..Hα-helixtrans-66.6-41.6179.1-64.2171.5000111.4L199 L203 A214 V215 E216 L221 L222 L288 L293 L297 L316L199-L218 HydrophobicContact CD2-CD2 4.05Å; L203-L218 HydrophobicContact CD1-CD1 4.2Å; A214-L218 WeakPolarHBondContact O-CG 3.47Å; A214-L218 PolarHBondContact O-N 2.92Å; V215-L218 WeakPolarHBondContact O-CB 3.42Å; V215-L218 PolarHBondContact O-N 3.35Å; E216-L218 VanDerWaalsContact C-N 3.29Å; E216-L218 PolarHBondContact O-N 3.49Å; L218-L221 PolarHBondContact O-N 2.88Å; L218-L222 VanDerWaalsContact O-CG 3.32Å; L218-L222 WeakPolarHBondContact O-CG 3.29Å; L218-L222 PolarHBondContact O-N 3.31Å; L218-L222 VanDerWaalsContact O-N 3.08Å; L218-L288 HydrophobicContact CD2-CD1 4Å; L218-L288 HydrophobicContact CD2-CD2 4.42Å; L218-L293 HydrophobicContact CD1-CD1 3.77Å; L218-L293 HydrophobicContact CD1-CD2 4.41Å; L218-L293 HydrophobicContact CD2-CD1 4.38Å; L218-L293 HydrophobicContact CD2-CD2 4.03Å; L218-L297 HydrophobicContact CD1-CD2 4.23Å; L218-L316 HydrophobicContact CB-CD2 3.89Å; L218-L316 HydrophobicContact CD1-CD2 4.08Å
219C95.3Very high90.6Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-62.4-47.5176.8-720000112V215 E216 L221 L222 G223 V224 V227V215-C219 PolarHBondContact O-N 3.25Å; V215-C219 PolarHBondContact O-SG 2.96Å; E216-C219 PolarHBondContact O-N 3.07Å; C219-L221 VanDerWaalsContact C-N 3.34Å; C219-L221 PolarHBondContact O-N 2.85Å; C219-L222 CarbonylContact O-C 3.51Å; C219-L222 PolarHBondContact O-N 2.85Å; C219-G223 PolarHBondContact O-N 3.34Å; C219-V224 HydrophobicContact CB-CG2 3.56Å; C219-V224 PolarHBondContact O-N 3.44Å; C219-V227 HydrophobicContact CB-CB 4.03Å; C219-V227 HydrophobicContact CB-CG1 3.72Å; C219-V227 HydrophobicContact CB-CG2 3.53Å
220D93.4Very high90.7Very high37 Ų3733 Ų3320%0.19818%0.177CC..Hα-helixtrans-64.5-37.2177.2-87.4-1.3000112.9R156 V160 R164 E216 L222 G223 V227R156-D220 IonicContact CZ-OD1 2.73Å; R156-D220 IonicContact CZ-OD2 2.77Å; R156-D220 VanDerWaalsContact CZ-OD2 3.25Å; R156-D220 IonicContact NE-OD1 3.62Å; R156-D220 IonicContact NE-OD2 2.93Å; R156-D220 PolarHBondContact NE-OD2 3.42Å; R156-D220 IonicContact NH2-OD1 3.27Å; R156-D220 PolarHBondContact NH2-OD1 3.02Å; R156-D220 IonicContact NH2-OD2 3.35Å; R156-D220 PolarHBondContact NH2-OD2 2.89Å; V160-D220 HydrophobicContact CG1-CB 4.19Å; V160-D220 HydrophobicContact CG2-CB 3.63Å; R164-D220 PolarHBondContact NH2-O 2.98Å; E216-D220 WeakPolarHBondContact O-CB 3.4Å; E216-D220 PolarHBondContact O-N 3.44Å; D220-L222 VanDerWaalsContact C-N 3.3Å; D220-G223 PolarHBondContact O-N 3.4Å; D220-V227 WeakPolarHBondContact OD1-CG2 3.31Å
221L92.5Very high90.9Very high3 Ų333 Ų332%0.01618%0.177CC..Hα-helixtrans-61.7-42.9175.417970.9000110.8L163 I217 L218 C219 G223 V284 L288L163-L221 HydrophobicContact CB-CD1 3.75Å; L163-L221 HydrophobicContact CD1-CD1 4.44Å; L163-L221 HydrophobicContact CD1-CD2 4.36Å; I217-L221 VanDerWaalsContact O-CB 3.27Å; I217-L221 WeakPolarHBondContact O-CB 3.4Å; I217-L221 PolarHBondContact O-N 3.42Å; L218-L221 PolarHBondContact O-N 2.88Å; C219-L221 VanDerWaalsContact C-N 3.34Å; C219-L221 PolarHBondContact O-N 2.85Å; L221-G223 VanDerWaalsContact C-N 3.29Å; L221-V284 HydrophobicContact CD1-CG1 4.3Å; L221-V284 HydrophobicContact CD2-CB 4.41Å; L221-V284 HydrophobicContact CD2-CG1 3.56Å; L221-V284 HydrophobicContact CG-CG1 4.47Å; L221-L288 HydrophobicContact CD2-CD1 3.79Å
222L90.5Very high91Very high7 Ų738.4 Ų38.44%0.03721%0.21CC..Hα-helixtrans-75.9-18.1176.7-65.5178.7000112.7L218 C219 D220 V224 I281 L285 L316 I320 R323L218-L222 VanDerWaalsContact O-CG 3.32Å; L218-L222 WeakPolarHBondContact O-CG 3.29Å; L218-L222 PolarHBondContact O-N 3.31Å; L218-L222 VanDerWaalsContact O-N 3.08Å; C219-L222 CarbonylContact O-C 3.51Å; C219-L222 PolarHBondContact O-N 2.85Å; D220-L222 VanDerWaalsContact C-N 3.3Å; L222-V224 HydrophobicContact CB-CG1 3.94Å; L222-I281 HydrophobicContact CD2-CG2 3.96Å; L222-L285 HydrophobicContact CD2-CD1 4.24Å; L222-L285 HydrophobicContact CD2-CD2 4.43Å; L222-L316 HydrophobicContact CD1-CD1 3.56Å; L222-I320 HydrophobicContact CD1-CG1 3.8Å; L222-R323 PolarHBondContact O-NH1 2.96Å; L222-R323 PolarHBondContact O-NH2 3.19Å
223G87.9Confident91.1Very high46 Ų4637.6 Ų37.647%0.47421%0.21SC..THydrogen-bonded Turntrans65.947.7-176.400000111.8C219 D220 L221C219-G223 PolarHBondContact O-N 3.34Å; D220-G223 PolarHBondContact O-N 3.4Å; L221-G223 VanDerWaalsContact C-N 3.29Å
224V88.7Confident91.2Very high14 Ų1439.4 Ų39.49%0.08522%0.215CC..  trans-90144.9176.8-59.20000111.4C219 L222 Y226 V227C219-V224 HydrophobicContact CB-CG2 3.56Å; C219-V224 PolarHBondContact O-N 3.44Å; L222-V224 HydrophobicContact CB-CG1 3.94Å; V224-Y226 VanDerWaalsContact C-N 3.25Å; V224-Y226 HydrophobicContact CB-CD1 3.87Å; V224-Y226 HydrophobicContact CB-CE1 3.48Å; V224-Y226 VanDerWaalsContact CB-CE1 3.48Å; V224-Y226 HydrophobicContact CG1-CE1 3.94Å; V224-Y226 HydrophobicContact CG2-CD1 3.99Å; V224-Y226 HydrophobicContact CG2-CD2 4.18Å; V224-Y226 HydrophobicContact CG2-CE1 3.62Å; V224-Y226 HydrophobicContact CG2-CE2 3.81Å; V224-Y226 HydrophobicContact CG2-CG 4.25Å; V224-Y226 PolarHBondContact O-N 3.46Å; V224-V227 HydrophobicContact CG2-CG2 3.97Å; V224-V227 WeakPolarHBondContact O-CG2 3.45Å
225D85.6Confident91.2Very high139 Ų13943.5 Ų43.574%0.74324%0.241SC*.THydrogen-bonded Turntrans-80.8-1-171.6-48.9-30.3000114.3
226Y90.2Very high91.1Very high1 Ų145.9 Ų45.90%0.00425%0.253CS..THydrogen-bonded Turntrans-106.412.1-175.562.1-98.9000113.8V224 D228 R229 F231 Y240 K312 L315 L316 D319V224-Y226 VanDerWaalsContact C-N 3.25Å; V224-Y226 HydrophobicContact CB-CD1 3.87Å; V224-Y226 HydrophobicContact CB-CE1 3.48Å; V224-Y226 VanDerWaalsContact CB-CE1 3.48Å; V224-Y226 HydrophobicContact CG1-CE1 3.94Å; V224-Y226 HydrophobicContact CG2-CD1 3.99Å; V224-Y226 HydrophobicContact CG2-CD2 4.18Å; V224-Y226 HydrophobicContact CG2-CE1 3.62Å; V224-Y226 HydrophobicContact CG2-CE2 3.81Å; V224-Y226 HydrophobicContact CG2-CG 4.25Å; V224-Y226 PolarHBondContact O-N 3.46Å; Y226-D228 VanDerWaalsContact C-N 3.3Å; Y226-D228 PolarHBondContact O-N 2.99Å; Y226-R229 WeakPolarHBondContact O-CB 3.41Å; Y226-R229 PolarHBondContact O-N 2.85Å; Y226-F231 HydrophobicContact CD2-CE2 4.32Å; Y226-Y240 AromaticContact CD1-CE1 3.71Å; Y226-Y240 HydrophobicContact CD1-CE1 3.71Å; Y226-Y240 AromaticContact CD1-CZ 3.85Å; Y226-Y240 WeakPolarHBondContact CD1-OH 3.22Å; Y226-Y240 HydrophobicContact CG-CE1 4.26Å; Y226-K312 HydrophobicContact CD2-CG 4.21Å; Y226-K312 HydrophobicContact CE2-CG 4.22Å; Y226-L315 HydrophobicContact CD1-CD2 3.75Å; Y226-L315 HydrophobicContact CD2-CD2 3.84Å; Y226-L315 HydrophobicContact CE1-CD2 3.76Å; Y226-L315 HydrophobicContact CE1-CG 4.07Å; Y226-L315 HydrophobicContact CE2-CD2 3.87Å; Y226-L315 HydrophobicContact CE2-CG 4.31Å; Y226-L315 HydrophobicContact CG-CD2 3.78Å; Y226-L316 WeakPolarHBondContact OH-CA 3.5Å; Y226-D319 VanDerWaalsContact CE1-OD2 3.3Å; Y226-D319 WeakPolarHBondContact CE1-OD2 3.34Å; Y226-D319 PolarHBondContact OH-OD2 2.99Å
227V88.6Confident91Very high7 Ų744.5 Ų44.54%0.04225%0.247CC..THydrogen-bonded Turntrans-53.7-50.8-174.4-168.60000111.2E216 C219 D220 V224 R229 K312E216-V227 HydrophobicContact CB-CG1 3.87Å; E216-V227 HydrophobicContact CG-CG1 3.85Å; C219-V227 HydrophobicContact CB-CB 4.03Å; C219-V227 HydrophobicContact CB-CG1 3.72Å; C219-V227 HydrophobicContact CB-CG2 3.53Å; D220-V227 WeakPolarHBondContact OD1-CG2 3.31Å; V224-V227 HydrophobicContact CG2-CG2 3.97Å; V224-V227 WeakPolarHBondContact O-CG2 3.45Å; V227-R229 VanDerWaalsContact C-N 3.31Å; V227-R229 PolarHBondContact O-N 3.49Å; V227-K312 PolarHBondContact O-NZ 3.36Å
228D86.9Confident91Very high129 Ų12946.5 Ų46.569%0.6926%0.257SS*.THydrogen-bonded Turntrans-91.911.3-176.5-45-42.8000112.4R156 Y226R156-D228 IonicContact CZ-OD1 3.7Å; R156-D228 IonicContact NH1-OD1 3.14Å; R156-D228 PolarHBondContact NH1-OD1 2.9Å; R156-D228 IonicContact NH2-OD1 3.17Å; R156-D228 PolarHBondContact NH2-OD1 3.28Å; Y226-D228 VanDerWaalsContact C-N 3.3Å; Y226-D228 PolarHBondContact O-N 2.99Å
229R87.9Confident90.6Very high48 Ų4849 Ų4918%0.18127%0.271CS..  trans-88.5139.4175.4-71-176.4-176.2-100.1-16.7110.9Y226 V227 F231 D247 K312Y226-R229 WeakPolarHBondContact O-CB 3.41Å; Y226-R229 PolarHBondContact O-N 2.85Å; V227-R229 VanDerWaalsContact C-N 3.31Å; V227-R229 PolarHBondContact O-N 3.49Å; R229-F231 HydrophobicContact CB-CE2 4.45Å; R229-F231 HydrophobicContact CB-CZ 4.38Å; R229-D247 IonicContact CZ-OD2 2.94Å; R229-D247 IonicContact NE-OD2 2.7Å; R229-D247 VanDerWaalsContact NH1-CG 3.3Å; R229-D247 IonicContact NH1-OD1 3.85Å; R229-D247 PolarHBondContact NH1-OD1 3.1Å; R229-D247 IonicContact NH1-OD2 2.79Å; R229-D247 PolarHBondContact NH1-OD2 2.95Å; R229-D247 IonicContact NH2-OD1 3.28Å; R229-D247 IonicContact NH2-OD2 3.22Å; R229-D247 PolarHBondContact NH2-OD2 3.23Å; R229-K312 WeakPolarHBondContact O-CE 3.35Å; R229-K312 PolarHBondContact O-NZ 3.47Å; R229-K312 VanDerWaalsContact O-NZ 3.11Å
230E89.3Confident90.3Very high155 Ų15549.7 Ų49.772%0.72427%0.274SS*.  trans-101.4136.4167.5-67.9-179.1-175.700110.4
231F91.5Very high90Very high8 Ų848.3 Ų48.34%0.03527%0.266CS..  trans-110119.2177.1-64.7-74.6000109.2Y226 R229 D236 V237 Y240 P308 L311 K312 L315Y226-F231 HydrophobicContact CD2-CE2 4.32Å; R229-F231 HydrophobicContact CB-CE2 4.45Å; R229-F231 HydrophobicContact CB-CZ 4.38Å; F231-D236 HydrophobicContact CD1-CB 4.28Å; F231-V237 HydrophobicContact CB-CG2 3.79Å; F231-V237 HydrophobicContact CD1-CB 4.46Å; F231-V237 HydrophobicContact CD1-CG2 3.83Å; F231-V237 HydrophobicContact CD2-CG2 4.35Å; F231-V237 HydrophobicContact CG-CG2 3.73Å; F231-Y240 HydrophobicContact CE1-CD1 4.39Å; F231-Y240 HydrophobicContact CE1-CG 4.01Å; F231-Y240 HydrophobicContact CZ-CD1 4.12Å; F231-Y240 HydrophobicContact CZ-CG 4.1Å; F231-P308 VanDerWaalsContact O-CA 3.24Å; F231-P308 WeakPolarHBondContact O-CA 3.31Å; F231-P308 VanDerWaalsContact O-CB 3.22Å; F231-P308 WeakPolarHBondContact O-CB 3.5Å; F231-L311 HydrophobicContact CB-CB 4.25Å; F231-L311 HydrophobicContact CB-CD1 4.32Å; F231-K312 HydrophobicContact CD2-CB 4.35Å; F231-L315 HydrophobicContact CE2-CD2 3.77Å; F231-L315 HydrophobicContact CZ-CD2 3.72Å
232V91.5Very high89.5Confident118 Ų11850.2 Ų50.272%0.71528%0.275SS*.  trans-83.1-35.1-179.2-176.30000111
233S94Very high88.9Confident35 Ų3550.4 Ų50.425%0.24528%0.279CS..SBendtrans-138.7159.1-17670.70000113T235 D236 V237S233-T235 PolarHBondContact O-N 3.38Å; S233-T235 PolarHBondContact OG-OG1 3.35Å; S233-D236 WeakPolarHBondContact CB-OD2 3.42Å; S233-D236 PolarHBondContact N-OD2 3.24Å; S233-D236 WeakPolarHBondContact O-CB 3.45Å; S233-D236 PolarHBondContact O-N 3.17Å; S233-D236 PolarHBondContact OG-N 3.4Å; S233-D236 PolarHBondContact OG-OD1 3.45Å; S233-D236 PolarHBondContact OG-OD2 2.82Å; S233-V237 PolarHBondContact O-N 3.4Å
234W93.6Very high88Confident47 Ų4752.6 Ų52.618%0.17828%0.28CS..Hα-helixtrans-58.1-33.9172.2177.2-116.9000112.8D236 V237 L238 L311 T314 R361 L365W234-D236 VanDerWaalsContact C-N 3.27Å; W234-D236 PolarHBondContact O-N 3.14Å; W234-V237 HydrophobicContact CE3-CB 4.05Å; W234-V237 HydrophobicContact CE3-CG1 4.31Å; W234-V237 HydrophobicContact CE3-CG2 4.31Å; W234-V237 HydrophobicContact CZ3-CB 4.2Å; W234-V237 HydrophobicContact CZ3-CG1 3.95Å; W234-V237 PolarHBondContact O-N 3.48Å; W234-L238 HydrophobicContact CD2-CG 4.42Å; W234-L238 HydrophobicContact CH2-CD2 4.48Å; W234-L238 HydrophobicContact CZ2-CD1 4.31Å; W234-L238 HydrophobicContact CZ2-CD2 3.75Å; W234-L238 HydrophobicContact CZ2-CG 3.88Å; W234-L238 VanDerWaalsContact NE1-CD1 3.33Å; W234-L238 PolarHBondContact O-N 3.28Å; W234-L311 HydrophobicContact CB-CD2 4.32Å; W234-L311 HydrophobicContact CE3-CD2 4.02Å; W234-T314 HydrophobicContact CH2-CG2 4.39Å; W234-T314 HydrophobicContact CZ3-CG2 4.04Å; W234-R361 HydrophobicContact CD2-CG 4.04Å; W234-R361 HydrophobicContact CE3-CG 4.18Å; W234-R361 HydrophobicContact CH2-CB 3.35Å; W234-R361 HydrophobicContact CH2-CG 3.65Å; W234-R361 WeakPolarHBondContact CH2-O 3.42Å; W234-R361 HydrophobicContact CZ2-CB 3.57Å; W234-R361 HydrophobicContact CZ2-CG 3.49Å; W234-R361 VanDerWaalsContact CZ2-CG 3.49Å; W234-R361 HydrophobicContact CZ3-CB 3.94Å; W234-R361 HydrophobicContact CZ3-CG 4Å; W234-L365 HydrophobicContact CH2-CD1 3.64Å; W234-L365 HydrophobicContact CH2-CD2 4.04Å; W234-L365 HydrophobicContact CH2-CG 3.59Å; W234-L365 HydrophobicContact CZ2-CG 4.32Å; W234-L365 HydrophobicContact CZ3-CD1 4.08Å; W234-L365 HydrophobicContact CZ3-CG 4.39Å
235T92.2Very high86.5Confident86 Ų8654.7 Ų54.753%0.52829%0.29SS..Hα-helixtrans-62.5-35.1175.436.10000112.3S233 L238 N239S233-T235 PolarHBondContact O-N 3.38Å; S233-T235 PolarHBondContact OG-OG1 3.35Å; T235-L238 PolarHBondContact O-N 3.06Å; T235-N239 VanDerWaalsContact O-CB 3.28Å; T235-N239 WeakPolarHBondContact O-CB 3.32Å; T235-N239 VanDerWaalsContact O-CG 3.24Å; T235-N239 PolarHBondContact O-N 2.84Å; T235-N239 PolarHBondContact O-ND2 3.41Å; T235-N239 VanDerWaalsContact O-ND2 3.09Å
236D91.6Very high85.3Confident50 Ų5049.9 Ų49.927%0.26727%0.268SS..Hα-helixtrans-67.8-40.4177-55.8-36.2000111.1F231 S233 W234 N239 Y240 I245F231-D236 HydrophobicContact CD1-CB 4.28Å; S233-D236 WeakPolarHBondContact CB-OD2 3.42Å; S233-D236 PolarHBondContact N-OD2 3.24Å; S233-D236 WeakPolarHBondContact O-CB 3.45Å; S233-D236 PolarHBondContact O-N 3.17Å; S233-D236 PolarHBondContact OG-N 3.4Å; S233-D236 PolarHBondContact OG-OD1 3.45Å; S233-D236 PolarHBondContact OG-OD2 2.82Å; W234-D236 VanDerWaalsContact C-N 3.27Å; W234-D236 PolarHBondContact O-N 3.14Å; D236-N239 PolarHBondContact O-N 3.24Å; D236-Y240 WeakPolarHBondContact O-CB 3.33Å; D236-Y240 PolarHBondContact O-N 2.95Å; D236-I245 HydrophobicContact CB-CD1 4.4Å
237V92.8Very high83.7Confident0 Ų055 Ų550%030%0.295CS..Hα-helixtrans-61.8-47176.3-173.70000111F231 S233 W234 Y240 R241 L311 L315 L365F231-V237 HydrophobicContact CB-CG2 3.79Å; F231-V237 HydrophobicContact CD1-CB 4.46Å; F231-V237 HydrophobicContact CD1-CG2 3.83Å; F231-V237 HydrophobicContact CD2-CG2 4.35Å; F231-V237 HydrophobicContact CG-CG2 3.73Å; S233-V237 PolarHBondContact O-N 3.4Å; W234-V237 HydrophobicContact CE3-CB 4.05Å; W234-V237 HydrophobicContact CE3-CG1 4.31Å; W234-V237 HydrophobicContact CE3-CG2 4.31Å; W234-V237 HydrophobicContact CZ3-CB 4.2Å; W234-V237 HydrophobicContact CZ3-CG1 3.95Å; W234-V237 PolarHBondContact O-N 3.48Å; V237-Y240 PolarHBondContact O-N 2.94Å; V237-R241 PolarHBondContact O-N 3.43Å; V237-L311 HydrophobicContact CG2-CB 3.96Å; V237-L311 HydrophobicContact CG2-CD2 4.42Å; V237-L315 HydrophobicContact CG1-CB 4.18Å; V237-L315 HydrophobicContact CG1-CD1 3.71Å; V237-L315 HydrophobicContact CG1-CD2 4.37Å; V237-L315 HydrophobicContact CG1-CG 4.33Å; V237-L365 HydrophobicContact CG1-CD2 3.94Å
238L91.3Very high82.4Confident42 Ų4257 Ų5722%0.2231%0.309CS..Hα-helixtrans-62.6-44.9176.6-76.6177000111.7W234 T235 Y240 R241 L242 L365W234-L238 HydrophobicContact CD2-CG 4.42Å; W234-L238 HydrophobicContact CH2-CD2 4.48Å; W234-L238 HydrophobicContact CZ2-CD1 4.31Å; W234-L238 HydrophobicContact CZ2-CD2 3.75Å; W234-L238 HydrophobicContact CZ2-CG 3.88Å; W234-L238 VanDerWaalsContact NE1-CD1 3.33Å; W234-L238 PolarHBondContact O-N 3.28Å; T235-L238 PolarHBondContact O-N 3.06Å; L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 PolarHBondContact O-N 2.92Å; L238-R241 PolarHBondContact O-N 3.34Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.43Å; L238-L365 HydrophobicContact CD2-CD2 4.15Å
239N87.4Confident81.5Confident56 Ų5654.7 Ų54.730%0.29930%0.297SS..Hα-helixtrans-62.9-39177.7-79.5-35.1000112.2T235 D236 G243 N244 I245T235-N239 VanDerWaalsContact O-CB 3.28Å; T235-N239 WeakPolarHBondContact O-CB 3.32Å; T235-N239 VanDerWaalsContact O-CG 3.24Å; T235-N239 PolarHBondContact O-N 2.84Å; T235-N239 PolarHBondContact O-ND2 3.41Å; T235-N239 VanDerWaalsContact O-ND2 3.09Å; D236-N239 PolarHBondContact O-N 3.24Å; N239-G243 PolarHBondContact O-N 2.9Å; N239-N244 HydrophobicContact CB-CB 4.12Å; N239-N244 WeakPolarHBondContact O-CB 3.27Å; N239-N244 PolarHBondContact O-N 2.8Å; N239-N244 PolarHBondContact OD1-ND2 3.34Å; N239-N244 VanDerWaalsContact OD1-ND2 3.11Å; N239-I245 HydrophobicContact CB-CD1 3.5Å; N239-I245 HydrophobicContact CB-CG1 3.88Å; N239-I245 PolarHBondContact O-N 3.38Å
240Y88.5Confident80.9Confident16 Ų1655.7 Ų55.76%0.06330%0.303CS..Hα-helixtrans-60.8-48.9172.3170.4-97.1000111.2Y226 F231 D236 V237 L238 L242 G243 L315Y226-Y240 AromaticContact CD1-CE1 3.71Å; Y226-Y240 HydrophobicContact CD1-CE1 3.71Å; Y226-Y240 AromaticContact CD1-CZ 3.85Å; Y226-Y240 WeakPolarHBondContact CD1-OH 3.22Å; Y226-Y240 HydrophobicContact CG-CE1 4.26Å; F231-Y240 HydrophobicContact CE1-CD1 4.39Å; F231-Y240 HydrophobicContact CE1-CG 4.01Å; F231-Y240 HydrophobicContact CZ-CD1 4.12Å; F231-Y240 HydrophobicContact CZ-CG 4.1Å; D236-Y240 WeakPolarHBondContact O-CB 3.33Å; D236-Y240 PolarHBondContact O-N 2.95Å; V237-Y240 PolarHBondContact O-N 2.94Å; L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 PolarHBondContact O-N 2.92Å; Y240-L242 PolarHBondContact O-N 3.25Å; Y240-G243 WeakPolarHBondContact O-CA 3.46Å; Y240-G243 PolarHBondContact O-N 2.7Å; Y240-L315 HydrophobicContact CD1-CD2 3.9Å; Y240-L315 HydrophobicContact CE1-CD2 3.95Å
241R87.3Confident80Confident8 Ų850.1 Ų50.13%0.0328%0.277CS..Hα-helixtrans-65.1-38.4-178.6-170.86272.4-171.58.3112.2V237 L238 G243 L315 E318 D319 L365 A368 R369 R372V237-R241 PolarHBondContact O-N 3.43Å; L238-R241 PolarHBondContact O-N 3.34Å; R241-G243 PolarHBondContact O-N 3.38Å; R241-L315 VanDerWaalsContact NH2-CG 3.33Å; R241-L315 PolarHBondContact NH2-O 2.85Å; R241-E318 IonicContact CZ-OE2 3.72Å; R241-E318 IonicContact NE-OE2 2.73Å; R241-E318 PolarHBondContact NE-OE2 3.41Å; R241-E318 IonicContact NH2-OE2 2.73Å; R241-E318 PolarHBondContact NH2-OE2 3.15Å; R241-D319 IonicContact CZ-OD2 3.65Å; R241-D319 IonicContact NH1-OD1 3.34Å; R241-D319 IonicContact NH1-OD2 3.66Å; R241-D319 PolarHBondContact NH1-OD2 2.73Å; R241-D319 VanDerWaalsContact NH1-OD2 3.16Å; R241-D319 VanDerWaalsContact NH2-CG 3.34Å; R241-D319 IonicContact NH2-OD1 2.68Å; R241-D319 IonicContact NH2-OD2 2.68Å; R241-D319 PolarHBondContact NH2-OD2 3.46Å; R241-L365 HydrophobicContact CB-CD2 3.8Å; R241-L365 HydrophobicContact CG-CD2 4.01Å; R241-A368 HydrophobicContact CB-CB 4.29Å; R241-A368 HydrophobicContact CG-CB 3.95Å; R241-R369 VanDerWaalsContact CZ-NH2 3.35Å; R241-R372 WeakPolarHBondContact O-CD 3.18Å; R241-R372 PolarHBondContact O-NE 3.44Å
242L82.5Confident79.1Confident42 Ų4253.2 Ų53.222%0.2229%0.293CS..Hα-helixtrans-66-14.4172.5-71.8170.1000113.4L238 Y240 A368 Q371 R372L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.43Å; Y240-L242 PolarHBondContact O-N 3.25Å; L242-A368 HydrophobicContact CD2-CB 3.78Å; L242-A368 HydrophobicContact CG-CB 4.01Å; L242-Q371 HydrophobicContact CD2-CB 4.35Å; L242-R372 WeakPolarHBondContact O-CG 2.98Å
243G77.1Confident78.1Confident11 Ų1148.2 Ų48.211%0.11326%0.262CS..THydrogen-bonded Turntrans848.5-176.300000113.8N239 Y240 R241 I245 K375N239-G243 PolarHBondContact O-N 2.9Å; Y240-G243 WeakPolarHBondContact O-CA 3.46Å; Y240-G243 PolarHBondContact O-N 2.7Å; R241-G243 PolarHBondContact O-N 3.38Å; G243-I245 VanDerWaalsContact C-N 3.32Å; G243-I245 PolarHBondContact O-N 2.91Å; G243-K375 WeakPolarHBondContact O-CE 3.28Å; G243-K375 PolarHBondContact O-NZ 3.14Å
244N69.3Low77.1Confident93 Ų9349.9 Ų49.950%0.49727%0.273SS..  trans-66.2-38.3179.1-64.1-20.2000111.1N239N239-N244 HydrophobicContact CB-CB 4.12Å; N239-N244 WeakPolarHBondContact O-CB 3.27Å; N239-N244 PolarHBondContact O-N 2.8Å; N239-N244 PolarHBondContact OD1-ND2 3.34Å; N239-N244 VanDerWaalsContact OD1-ND2 3.11Å
245I57.8Low76.3Confident57 Ų5754.1 Ų54.129%0.29229%0.289SS..  trans-97.3107.9176-57.7164.3000107.7D236 N239 G243D236-I245 HydrophobicContact CB-CD1 4.4Å; N239-I245 HydrophobicContact CB-CD1 3.5Å; N239-I245 HydrophobicContact CB-CG1 3.88Å; N239-I245 PolarHBondContact O-N 3.38Å; G243-I245 VanDerWaalsContact C-N 3.32Å; G243-I245 PolarHBondContact O-N 2.91Å
246S59.8Low75.5Confident39 Ų3952.2 Ų52.227%0.27328%0.275SS..  trans-126.1118.2163.271.20000108.7S248 K375S246-S248 PolarHBondContact O-N 2.9Å; S246-K375 VanDerWaalsContact OG-CE 3.32Å; S246-K375 WeakPolarHBondContact OG-CE 3.32Å; S246-K375 PolarHBondContact OG-NZ 2.91Å
247D56.1Low74.8Confident107 Ų10750.7 Ų50.757%0.57227%0.266SS*.  trans-77.9-11.9169.5-50.1-21.2000110.7R229 N249R229-D247 IonicContact CZ-OD2 2.94Å; R229-D247 IonicContact NE-OD2 2.7Å; R229-D247 VanDerWaalsContact NH1-CG 3.3Å; R229-D247 IonicContact NH1-OD1 3.85Å; R229-D247 PolarHBondContact NH1-OD1 3.1Å; R229-D247 IonicContact NH1-OD2 2.79Å; R229-D247 PolarHBondContact NH1-OD2 2.95Å; R229-D247 IonicContact NH2-OD1 3.28Å; R229-D247 IonicContact NH2-OD2 3.22Å; R229-D247 PolarHBondContact NH2-OD2 3.23Å; D247-N249 PolarHBondContact O-N 3.37Å
248S62.2Low74.1Confident49 Ų4951 Ų5134%0.34327%0.267SS..  trans-72.7102.3174.859.70000109.8S246 E250S246-S248 PolarHBondContact O-N 2.9Å; S248-E250 PolarHBondContact O-N 3.23Å
249N68.5Low73.5Confident82 Ų8253.7 Ų53.744%0.43928%0.282SS..G310 helixtrans-58.48.2167-71.8-12.2000113.7D247 H251 M252 R255D247-N249 PolarHBondContact O-N 3.37Å; N249-H251 VanDerWaalsContact C-N 3.25Å; N249-H251 PolarHBondContact O-N 2.96Å; N249-M252 HydrophobicContact CB-CG 4.2Å; N249-M252 HydrophobicContact CB-SD 3.7Å; N249-M252 VanDerWaalsContact O-CB 3.27Å; N249-M252 WeakPolarHBondContact O-CB 3.48Å; N249-M252 VanDerWaalsContact O-CG 3.3Å; N249-M252 WeakPolarHBondContact O-CG 3.36Å; N249-M252 PolarHBondContact O-N 3.48Å; N249-M252 VanDerWaalsContact O-N 3.1Å; N249-R255 VanDerWaalsContact O-CD 3.26Å; N249-R255 WeakPolarHBondContact O-CD 3.18Å
250E73.7Confident73Confident68 Ų6851.3 Ų51.332%0.31827%0.27SS..G310 helixtrans-60.1-32.4178.7-67.6-159.4138.600113.1S248 M252 Q256 F257 A260S248-E250 PolarHBondContact O-N 3.23Å; E250-M252 PolarHBondContact O-N 2.88Å; E250-Q256 CarbonylContact O-C 3.6Å; E250-Q256 WeakPolarHBondContact O-CA 3.33Å; E250-Q256 WeakPolarHBondContact O-CB 3.38Å; E250-Q256 PolarHBondContact O-N 3.26Å; E250-Q256 PolarHBondContact OE1-NE2 3.29Å; E250-F257 PolarHBondContact O-N 3.49Å; E250-A260 HydrophobicContact CB-CB 4.03Å
251H71.7Confident72.4Confident38 Ų3850.7 Ų50.718%0.17627%0.267CS..G310 helixtrans-74.2-5.5177.3-56.9-84.5000113.4N249 A260 D261 K375N249-H251 VanDerWaalsContact C-N 3.25Å; N249-H251 PolarHBondContact O-N 2.96Å; H251-A260 WeakPolarHBondContact ND1-CB 3.15Å; H251-D261 IonicContact CE1-OD1 2.86Å; H251-D261 PolarHBondContact CE1-OD1 3.45Å; H251-D261 IonicContact ND1-OD1 3.63Å; H251-D261 PolarHBondContact ND1-OD1 3.38Å; H251-D261 VanDerWaalsContact ND1-OD1 3.15Å; H251-K375 HydrophobicContact CB-CB 4.47Å; H251-K375 HydrophobicContact CB-CD 4.21Å
252M72.3Confident71.8Confident73 Ų7351.8 Ų51.836%0.3628%0.279SS..SBendtrans-66.8147.6173.9-65-177.773.600110.9N249 E250 S254 R255 F257N249-M252 HydrophobicContact CB-CG 4.2Å; N249-M252 HydrophobicContact CB-SD 3.7Å; N249-M252 VanDerWaalsContact O-CB 3.27Å; N249-M252 WeakPolarHBondContact O-CB 3.48Å; N249-M252 VanDerWaalsContact O-CG 3.3Å; N249-M252 WeakPolarHBondContact O-CG 3.36Å; N249-M252 PolarHBondContact O-N 3.48Å; N249-M252 VanDerWaalsContact O-N 3.1Å; E250-M252 PolarHBondContact O-N 2.88Å; M252-S254 PolarHBondContact O-N 2.79Å; M252-R255 CarbonylContact O-C 3.52Å; M252-R255 PolarHBondContact O-N 2.97Å; M252-F257 PolarHBondContact O-N 2.74Å
253L71Confident71.5Confident14 Ų1454.9 Ų54.97%0.07329%0.29CS..THydrogen-bonded Turntrans-53.8-39.4177.3-162.7104.7000112.7R255 F257 I528 Q529 I534 L568 V572 K575L253-R255 PolarHBondContact O-N 3.44Å; L253-F257 HydrophobicContact CD1-CD1 4.29Å; L253-F257 HydrophobicContact CD1-CE1 4.23Å; L253-F257 HydrophobicContact CD1-CZ 4.35Å; L253-I528 HydrophobicContact CD2-CG2 4.36Å; L253-Q529 HydrophobicContact CB-CG 4.03Å; L253-Q529 HydrophobicContact CD2-CG 4.49Å; L253-I534 HydrophobicContact CD1-CD1 3.49Å; L253-I534 VanDerWaalsContact CD1-CD1 3.49Å; L253-I534 HydrophobicContact CD1-CG1 4.26Å; L253-L568 HydrophobicContact CD2-CD2 3.77Å; L253-V572 HydrophobicContact CD1-CB 4.49Å; L253-V572 HydrophobicContact CD1-CG1 4.21Å; L253-V572 HydrophobicContact CD1-CG2 3.54Å; L253-V572 HydrophobicContact CD2-CG2 3.5Å; L253-V572 VanDerWaalsContact CD2-CG2 3.5Å; L253-V572 HydrophobicContact CG-CG2 3.8Å; L253-K575 PolarHBondContact O-NZ 3.08Å
254S73.4Confident71Confident69 Ų6957.2 Ų57.248%0.48330%0.3SS..THydrogen-bonded Turntrans-67.5-18.817856.60000113.8M252M252-S254 PolarHBondContact O-N 2.79Å
255R76.2Confident70.9Confident136 Ų13654 Ų5451%0.51328%0.282SS..THydrogen-bonded Turntrans-106.6-116.9178.7-60.8-156.9-174.4177.2-3.6111.1N249 M252 L253 K575N249-R255 VanDerWaalsContact O-CD 3.26Å; N249-R255 WeakPolarHBondContact O-CD 3.18Å; M252-R255 CarbonylContact O-C 3.52Å; M252-R255 PolarHBondContact O-N 2.97Å; L253-R255 PolarHBondContact O-N 3.44Å; R255-K575 PolarHBondContact O-NZ 3.12Å
256Q74.8Confident71.4Confident47 Ų4753.2 Ų53.222%0.2228%0.282CS..THydrogen-bonded Turntrans-97.8-22-171.3-64.5-179.826.600112.4E250 V258 L259 A260 K263E250-Q256 CarbonylContact O-C 3.6Å; E250-Q256 WeakPolarHBondContact O-CA 3.33Å; E250-Q256 WeakPolarHBondContact O-CB 3.38Å; E250-Q256 PolarHBondContact O-N 3.26Å; E250-Q256 PolarHBondContact OE1-NE2 3.29Å; Q256-V258 PolarHBondContact O-N 3.2Å; Q256-V258 VanDerWaalsContact O-N 3.08Å; Q256-L259 HydrophobicContact CB-CB 4.25Å; Q256-L259 WeakPolarHBondContact O-CB 3.34Å; Q256-L259 PolarHBondContact O-N 3.27Å; Q256-A260 HydrophobicContact CB-CB 4.06Å; Q256-K263 VanDerWaalsContact CD-NZ 3.31Å; Q256-K263 VanDerWaalsContact NE2-NZ 3.19Å
257F76.9Confident71.5Confident18 Ų1855 Ų558%0.07929%0.291CS..THydrogen-bonded Turntrans48.2-112.9175.8-172.5-135.6000112.2E250 M252 L253 L259 A260 V378 I534 V576E250-F257 PolarHBondContact O-N 3.49Å; M252-F257 PolarHBondContact O-N 2.74Å; L253-F257 HydrophobicContact CD1-CD1 4.29Å; L253-F257 HydrophobicContact CD1-CE1 4.23Å; L253-F257 HydrophobicContact CD1-CZ 4.35Å; F257-L259 VanDerWaalsContact C-N 3.28Å; F257-L259 PolarHBondContact O-N 3.02Å; F257-A260 WeakPolarHBondContact O-CB 3.41Å; F257-A260 PolarHBondContact O-N 2.75Å; F257-V378 HydrophobicContact CE1-CG2 4.33Å; F257-V378 HydrophobicContact CZ-CG2 4.1Å; F257-I534 HydrophobicContact CE2-CD1 4.04Å; F257-I534 HydrophobicContact CZ-CD1 4Å; F257-V576 HydrophobicContact CE1-CG2 4.38Å
258V78.8Confident71.7Confident5 Ų552.9 Ų52.93%0.0328%0.282CS..Hα-helixtrans-58.2-36.3177.1-179.10000112.6Q256 A260 D261 A262 V378 F379Q256-V258 PolarHBondContact O-N 3.2Å; Q256-V258 VanDerWaalsContact O-N 3.08Å; V258-A260 VanDerWaalsContact C-N 3.26Å; V258-A260 PolarHBondContact O-N 3.45Å; V258-D261 PolarHBondContact O-N 2.81Å; V258-A262 PolarHBondContact O-N 2.94Å; V258-V378 HydrophobicContact CG2-CB 4.04Å; V258-V378 HydrophobicContact CG2-CG1 4Å; V258-F379 HydrophobicContact CG1-CB 3.97Å; V258-F379 HydrophobicContact CG1-CD2 3.75Å; V258-F379 HydrophobicContact CG1-CG 4.36Å
259L77.4Confident71.5Confident100 Ų10057.5 Ų57.552%0.52429%0.292SS..Hα-helixtrans-68.3-26.1-177.3-64.2175.2000112.6Q256 F257 A262 K263Q256-L259 HydrophobicContact CB-CB 4.25Å; Q256-L259 WeakPolarHBondContact O-CB 3.34Å; Q256-L259 PolarHBondContact O-N 3.27Å; F257-L259 VanDerWaalsContact C-N 3.28Å; F257-L259 PolarHBondContact O-N 3.02Å; L259-A262 PolarHBondContact O-N 3.28Å; L259-K263 WeakPolarHBondContact O-CG 3.46Å; L259-K263 PolarHBondContact O-N 3.07Å
260A77.8Confident71.1Confident6 Ų658.5 Ų58.55%0.0530%0.297CS..Hα-helixtrans-66.1-4217500000111E250 H251 Q256 F257 V258 K263 L264E250-A260 HydrophobicContact CB-CB 4.03Å; H251-A260 WeakPolarHBondContact ND1-CB 3.15Å; Q256-A260 HydrophobicContact CB-CB 4.06Å; F257-A260 WeakPolarHBondContact O-CB 3.41Å; F257-A260 PolarHBondContact O-N 2.75Å; V258-A260 VanDerWaalsContact C-N 3.26Å; V258-A260 PolarHBondContact O-N 3.45Å; A260-K263 PolarHBondContact O-N 3.17Å; A260-L264 PolarHBondContact O-N 3.23Å
261D76.3Confident70.3Confident2 Ų259.7 Ų59.71%0.01131%0.306CS..Hα-helixtrans-68.1-37.2174.7-67-36.4000111.6H251 V258 K263 L264 I265 P374 K375 S376 F379H251-D261 IonicContact CE1-OD1 2.86Å; H251-D261 PolarHBondContact CE1-OD1 3.45Å; H251-D261 IonicContact ND1-OD1 3.63Å; H251-D261 PolarHBondContact ND1-OD1 3.38Å; H251-D261 VanDerWaalsContact ND1-OD1 3.15Å; V258-D261 PolarHBondContact O-N 2.81Å; D261-K263 VanDerWaalsContact C-N 3.34Å; D261-K263 PolarHBondContact O-N 2.68Å; D261-L264 VanDerWaalsContact O-CB 3.32Å; D261-L264 WeakPolarHBondContact O-CB 3.44Å; D261-L264 PolarHBondContact O-N 3.29Å; D261-I265 PolarHBondContact O-N 3.05Å; D261-P374 HydrophobicContact CB-CB 4.23Å; D261-K375 VanDerWaalsContact CG-N 3.31Å; D261-K375 PolarHBondContact OD1-N 2.88Å; D261-K375 PolarHBondContact OD2-N 2.8Å; D261-K375 VanDerWaalsContact OD2-N 3.16Å; D261-S376 WeakPolarHBondContact OD2-CA 3.43Å; D261-S376 WeakPolarHBondContact OD2-CB 3.42Å; D261-S376 PolarHBondContact OD2-N 2.74Å; D261-F379 HydrophobicContact CB-CB 3.98Å; D261-F379 HydrophobicContact CB-CD1 3.99Å; D261-F379 HydrophobicContact CB-CD2 4.03Å; D261-F379 HydrophobicContact CB-CG 3.67Å
262A74.5Confident69.7Low32 Ų3263 Ų6326%0.26433%0.333SS..Hα-helixtrans-61-41.3175.900000112.3V258 L259 L264 I265 S266 F379V258-A262 PolarHBondContact O-N 2.94Å; L259-A262 PolarHBondContact O-N 3.28Å; A262-L264 VanDerWaalsContact C-N 3.31Å; A262-L264 PolarHBondContact O-N 3.17Å; A262-I265 PolarHBondContact O-N 2.66Å; A262-S266 WeakPolarHBondContact O-CB 3.36Å; A262-S266 PolarHBondContact O-N 3.48Å; A262-F379 VanDerWaalsContact CA-CE2 3.44Å; A262-F379 HydrophobicContact CB-CD2 4.17Å; A262-F379 HydrophobicContact CB-CE2 3.59Å; A262-F379 HydrophobicContact CB-CZ 4.48Å
263K75.2Confident69.3Low106 Ų10669.5 Ų69.546%0.46135%0.354SS..Hα-helixtrans-62.5-37.6175.1-76.2176.6177.1178.90112.5Q256 L259 A260 D261 I265 S266Q256-K263 VanDerWaalsContact CD-NZ 3.31Å; Q256-K263 VanDerWaalsContact NE2-NZ 3.19Å; L259-K263 WeakPolarHBondContact O-CG 3.46Å; L259-K263 PolarHBondContact O-N 3.07Å; A260-K263 PolarHBondContact O-N 3.17Å; D261-K263 VanDerWaalsContact C-N 3.34Å; D261-K263 PolarHBondContact O-N 2.68Å; K263-I265 VanDerWaalsContact C-N 3.26Å; K263-I265 PolarHBondContact O-N 2.77Å; K263-S266 PolarHBondContact O-N 3.24Å; K263-S266 PolarHBondContact O-OG 3.06Å
264L67.4Low69.5Low60 Ų6074.3 Ų74.331%0.31438%0.377SS..Hα-helixtrans-62.3-38.3179.2-157.682.6000111.6A260 D261 A262 R372A260-L264 PolarHBondContact O-N 3.23Å; D261-L264 VanDerWaalsContact O-CB 3.32Å; D261-L264 WeakPolarHBondContact O-CB 3.44Å; D261-L264 PolarHBondContact O-N 3.29Å; A262-L264 VanDerWaalsContact C-N 3.31Å; A262-L264 PolarHBondContact O-N 3.17Å; L264-R372 HydrophobicContact CD2-CG 4.17Å
265I67.4Low69.9Low25 Ų2575.5 Ų75.513%0.12838%0.378CS..Hα-helixtrans-87.4-29-178.2-71.2162.5000111.7D261 A262 K263 V267 T268 W269 P374 F379 F383D261-I265 PolarHBondContact O-N 3.05Å; A262-I265 PolarHBondContact O-N 2.66Å; K263-I265 VanDerWaalsContact C-N 3.26Å; K263-I265 PolarHBondContact O-N 2.77Å; I265-V267 PolarHBondContact O-N 2.66Å; I265-V267 VanDerWaalsContact O-N 3.08Å; I265-T268 PolarHBondContact O-N 2.68Å; I265-T268 PolarHBondContact O-OG1 2.98Å; I265-W269 HydrophobicContact CG2-CD2 4.22Å; I265-W269 HydrophobicContact CG2-CZ2 3.89Å; I265-W269 PolarHBondContact O-N 3.32Å; I265-P374 HydrophobicContact CD1-CG 4.31Å; I265-F379 HydrophobicContact CB-CZ 4.46Å; I265-F379 HydrophobicContact CD1-CD1 4.08Å; I265-F379 HydrophobicContact CD1-CE1 3.13Å; I265-F379 HydrophobicContact CD1-CZ 3.59Å; I265-F379 HydrophobicContact CG1-CE1 4.46Å; I265-F383 HydrophobicContact CD1-CD2 4.3Å; I265-F383 HydrophobicContact CD1-CE2 4.34Å; I265-F383 HydrophobicContact CG2-CD2 4.41Å; I265-F383 HydrophobicContact CG2-CE2 3.83Å
266S67.3Low70.3Confident41 Ų4175.6 Ų75.629%0.28739%0.388SS..Hα-helixtrans-58.9-26.6175.774.90000112.5A262 K263 T268 W269 N270A262-S266 WeakPolarHBondContact O-CB 3.36Å; A262-S266 PolarHBondContact O-N 3.48Å; K263-S266 PolarHBondContact O-N 3.24Å; K263-S266 PolarHBondContact O-OG 3.06Å; S266-T268 PolarHBondContact O-N 3.05Å; S266-W269 PolarHBondContact O-N 3.24Å; S266-W269 VanDerWaalsContact O-N 3.14Å; S266-N270 PolarHBondContact O-N 3.03Å
267V62.6Low70.8Confident77 Ų7777.7 Ų77.747%0.46740%0.404SS..Hα-helixtrans-58.7-32.8172.4179.80000111.9I265 R326I265-V267 PolarHBondContact O-N 2.66Å; I265-V267 VanDerWaalsContact O-N 3.08Å; V267-R326 PolarHBondContact O-NH1 3.29Å; V267-R326 PolarHBondContact O-NH2 2.75Å
268T61.4Low71.2Confident63 Ų6379.3 Ų79.339%0.38741%0.413SS..Hα-helixtrans-80.7-36.1174.668.40000111.5I265 S266 N270 D271I265-T268 PolarHBondContact O-N 2.68Å; I265-T268 PolarHBondContact O-OG1 2.98Å; S266-T268 PolarHBondContact O-N 3.05Å; T268-N270 PolarHBondContact O-N 3.26Å; T268-D271 VanDerWaalsContact O-CB 3.31Å; T268-D271 WeakPolarHBondContact O-CB 3.46Å; T268-D271 PolarHBondContact O-N 2.68Å
269W58Low71.7Confident146 Ų14680.2 Ų80.255%0.55342%0.421SS*.Hα-helixtrans-71.8-29.2-179.3-64.8-7000114.4I265 S266 D271 F383I265-W269 HydrophobicContact CG2-CD2 4.22Å; I265-W269 HydrophobicContact CG2-CZ2 3.89Å; I265-W269 PolarHBondContact O-N 3.32Å; S266-W269 PolarHBondContact O-N 3.24Å; S266-W269 VanDerWaalsContact O-N 3.14Å; W269-D271 PolarHBondContact O-N 2.59Å; W269-F383 HydrophobicContact CZ2-CD2 4.07Å; W269-F383 AromaticContact CZ2-CE2 3.82Å; W269-F383 HydrophobicContact CZ2-CE2 3.82Å
270N59.2Low72.2Confident103 Ų10376.5 Ų76.555%0.55140%0.403SS*.G310 helixtrans-68.96.8174.8-76.6-13.2000113.7S266 T268 S272 R273S266-N270 PolarHBondContact O-N 3.03Å; T268-N270 PolarHBondContact O-N 3.26Å; N270-S272 PolarHBondContact O-N 3.38Å; N270-R273 PolarHBondContact O-N 3.19Å
271D57.6Low72.8Confident93 Ų9377 Ų7750%0.49740%0.404SS..G310 helixtrans-52.6-24.8174.6-88.1-6.9000114.7T268 W269 R326T268-D271 VanDerWaalsContact O-CB 3.31Å; T268-D271 WeakPolarHBondContact O-CB 3.46Å; T268-D271 PolarHBondContact O-N 2.68Å; W269-D271 PolarHBondContact O-N 2.59Å; D271-R326 IonicContact OD1-CZ 3.64Å; D271-R326 IonicContact OD1-NE 3.29Å; D271-R326 PolarHBondContact OD1-NE 3.33Å; D271-R326 IonicContact OD1-NH2 2.99Å; D271-R326 PolarHBondContact OD1-NH2 3.09Å
272S58.5Low73.5Confident106 Ų10677.2 Ų77.274%0.74141%0.406SS*.G310 helixtrans-78.8-21.4179.562.10000114.1N270N270-S272 PolarHBondContact O-N 3.38Å
273R64Low74.2Confident210 Ų21078.4 Ų78.479%0.79241%0.41SS*.  trans-135106-174.2-65.7-171.5-177.9-174.22.1111N270 D275N270-R273 PolarHBondContact O-N 3.19Å; R273-D275 PolarHBondContact O-N 3.19Å
274M75.3Confident75Confident116 Ų11673.3 Ų73.357%0.57139%0.388SS*.  trans-70.9113.5170.6-171.5168.666.600109.3N278 A279M274-N278 HydrophobicContact CG-CB 3.99Å; M274-A279 HydrophobicContact CE-CB 3.6Å; M274-A279 HydrophobicContact CG-CB 4.27Å; M274-A279 HydrophobicContact SD-CB 4.15Å
275D81.8Confident76.2Confident93 Ų9370.6 Ų70.650%0.49737%0.374SS..  trans-63.6151.3169-174.513.9000110.7R273 V277 N278 A279R273-D275 PolarHBondContact O-N 3.19Å; D275-V277 PolarHBondContact O-N 2.73Å; D275-N278 CarbonylContact O-C 3.55Å; D275-N278 WeakPolarHBondContact O-CA 3.48Å; D275-N278 WeakPolarHBondContact O-CB 3.28Å; D275-N278 PolarHBondContact O-N 3.32Å; D275-A279 PolarHBondContact O-N 3.46Å
276L85.2Confident77.2Confident139 Ų13973.6 Ų73.673%0.72838%0.384SS*.Hα-helixtrans-58.7-35.4-179.6-153.382.3000111.7A279 T280L276-A279 WeakPolarHBondContact O-CB 3.45Å; L276-A279 PolarHBondContact O-N 2.92Å; L276-T280 PolarHBondContact O-N 3.48Å; L276-T280 PolarHBondContact O-OG1 3.18Å; L276-T280 VanDerWaalsContact O-OG1 3.09Å
277V84.8Confident78.3Confident90 Ų9073.2 Ų73.255%0.54538%0.381SS..Hα-helixtrans-62.4-46.4174.8-179.80000110.7D275 A279 T280 I281D275-V277 PolarHBondContact O-N 2.73Å; V277-A279 VanDerWaalsContact C-N 3.3Å; V277-A279 PolarHBondContact O-N 3.48Å; V277-T280 PolarHBondContact O-N 2.95Å; V277-I281 HydrophobicContact CG1-CD1 4.03Å; V277-I281 WeakPolarHBondContact O-CG1 3.49Å; V277-I281 PolarHBondContact O-N 2.95Å
278N85.5Confident79.6Confident53 Ų5369.7 Ų69.728%0.28336%0.359SS..Hα-helixtrans-65.8-35176.4-71.3-40.4000111.6M274 D275 I281 A282 W327M274-N278 HydrophobicContact CG-CB 3.99Å; D275-N278 CarbonylContact O-C 3.55Å; D275-N278 WeakPolarHBondContact O-CA 3.48Å; D275-N278 WeakPolarHBondContact O-CB 3.28Å; D275-N278 PolarHBondContact O-N 3.32Å; N278-I281 PolarHBondContact O-N 3.39Å; N278-A282 VanDerWaalsContact O-CB 3.24Å; N278-A282 WeakPolarHBondContact O-CB 3.39Å; N278-A282 PolarHBondContact O-N 3.46Å; N278-W327 HydrophobicContact CB-CZ2 4Å
279A88.4Confident80.8Confident24 Ų2466.9 Ų66.920%0.19834%0.343CS..Hα-helixtrans-61.1-46.2174.700000111.6M274 D275 L276 V277 A282 V283M274-A279 HydrophobicContact CE-CB 3.6Å; M274-A279 HydrophobicContact CG-CB 4.27Å; M274-A279 HydrophobicContact SD-CB 4.15Å; D275-A279 PolarHBondContact O-N 3.46Å; L276-A279 WeakPolarHBondContact O-CB 3.45Å; L276-A279 PolarHBondContact O-N 2.92Å; V277-A279 VanDerWaalsContact C-N 3.3Å; V277-A279 PolarHBondContact O-N 3.48Å; A279-A282 WeakPolarHBondContact O-CB 3.33Å; A279-A282 PolarHBondContact O-N 3.36Å; A279-V283 PolarHBondContact O-N 3.16Å
280T88.9Confident82.1Confident21 Ų2164.2 Ų64.213%0.12934%0.335CS..Hα-helixtrans-63.1-46.6177-53.10000111.3I169 L276 V277 A282 V283 V284I169-T280 HydrophobicContact CD1-CG2 3.8Å; L276-T280 PolarHBondContact O-N 3.48Å; L276-T280 PolarHBondContact O-OG1 3.18Å; L276-T280 VanDerWaalsContact O-OG1 3.09Å; V277-T280 PolarHBondContact O-N 2.95Å; T280-A282 VanDerWaalsContact C-N 3.29Å; T280-A282 PolarHBondContact O-N 3.22Å; T280-V283 PolarHBondContact O-N 2.8Å; T280-V284 WeakPolarHBondContact O-CG2 3.26Å; T280-V284 PolarHBondContact O-N 2.84Å; T280-V284 VanDerWaalsContact O-N 3.14Å
281I89.8Confident83.3Confident17 Ų1761.4 Ų61.49%0.08732%0.323CS..Hα-helixtrans-62.2-38.9177.1-64.6167.8000110.8L222 V277 N278 V283 V284 L285 W327L222-I281 HydrophobicContact CD2-CG2 3.96Å; V277-I281 HydrophobicContact CG1-CD1 4.03Å; V277-I281 WeakPolarHBondContact O-CG1 3.49Å; V277-I281 PolarHBondContact O-N 2.95Å; N278-I281 PolarHBondContact O-N 3.39Å; I281-V283 PolarHBondContact O-N 2.9Å; I281-V284 PolarHBondContact O-N 3.12Å; I281-L285 VanDerWaalsContact O-CB 3.26Å; I281-L285 WeakPolarHBondContact O-CB 3.47Å; I281-L285 PolarHBondContact O-N 2.96Å; I281-W327 HydrophobicContact CB-CH2 4.32Å; I281-W327 HydrophobicContact CG2-CH2 3.89Å; I281-W327 HydrophobicContact CG2-CZ3 4Å
282A90Very high84.6Confident6 Ų661.6 Ų61.65%0.0532%0.324CS..Hα-helixtrans-60.4-4517600000111.2N278 A279 T280 V284 L285 Y286 W327 F328N278-A282 VanDerWaalsContact O-CB 3.24Å; N278-A282 WeakPolarHBondContact O-CB 3.39Å; N278-A282 PolarHBondContact O-N 3.46Å; A279-A282 WeakPolarHBondContact O-CB 3.33Å; A279-A282 PolarHBondContact O-N 3.36Å; T280-A282 VanDerWaalsContact C-N 3.29Å; T280-A282 PolarHBondContact O-N 3.22Å; A282-V284 PolarHBondContact O-N 2.73Å; A282-L285 PolarHBondContact O-N 3.31Å; A282-Y286 WeakPolarHBondContact O-CB 3.3Å; A282-Y286 PolarHBondContact O-N 2.77Å; A282-W327 HydrophobicContact CB-CB 4.33Å; A282-W327 HydrophobicContact CB-CD2 3.86Å; A282-W327 HydrophobicContact CB-CE3 3.48Å; A282-W327 VanDerWaalsContact CB-CE3 3.48Å; A282-W327 HydrophobicContact CB-CG 4.25Å; A282-W327 HydrophobicContact CB-CZ3 3.98Å; A282-F328 HydrophobicContact CB-CE1 4.11Å; A282-F328 HydrophobicContact CB-CZ 4.15Å; A282-F328 WeakPolarHBondContact O-CZ 3.49Å
283V90.5Very high86.2Confident57 Ų5756.6 Ų56.635%0.34529%0.289SS..Hα-helixtrans-60.6-45.3176.7174.60000111.6W166 A279 T280 I281 L285 Y286 C287W166-V283 HydrophobicContact CH2-CB 4.45Å; W166-V283 HydrophobicContact CH2-CG1 4.48Å; W166-V283 HydrophobicContact CH2-CG2 4.09Å; W166-V283 HydrophobicContact CZ3-CG1 4.1Å; A279-V283 PolarHBondContact O-N 3.16Å; T280-V283 PolarHBondContact O-N 2.8Å; I281-V283 PolarHBondContact O-N 2.9Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-L285 PolarHBondContact O-N 3.2Å; V283-Y286 PolarHBondContact O-N 3.24Å; V283-C287 PolarHBondContact O-N 3.08Å; V283-C287 VanDerWaalsContact O-N 3.08Å; V283-C287 PolarHBondContact O-SG 3.47Å
284V91.9Very high87.4Confident0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-62.6-44177.3-177.30000111.2L163 I169 F173 L221 T280 I281 A282 Y286 C287 L288L163-V284 HydrophobicContact CD2-CG1 4.09Å; L163-V284 WeakPolarHBondContact O-CG2 3.29Å; I169-V284 HydrophobicContact CD1-CG2 3.49Å; I169-V284 VanDerWaalsContact CD1-CG2 3.49Å; I169-V284 HydrophobicContact CG1-CG2 3.68Å; I169-V284 HydrophobicContact CG2-CG2 4.36Å; F173-V284 HydrophobicContact CE2-CG1 4.09Å; F173-V284 HydrophobicContact CZ-CG1 4.19Å; L221-V284 HydrophobicContact CD1-CG1 4.3Å; L221-V284 HydrophobicContact CD2-CB 4.41Å; L221-V284 HydrophobicContact CD2-CG1 3.56Å; L221-V284 HydrophobicContact CG-CG1 4.47Å; T280-V284 WeakPolarHBondContact O-CG2 3.26Å; T280-V284 PolarHBondContact O-N 2.84Å; T280-V284 VanDerWaalsContact O-N 3.14Å; I281-V284 PolarHBondContact O-N 3.12Å; A282-V284 PolarHBondContact O-N 2.73Å; V284-Y286 VanDerWaalsContact C-N 3.33Å; V284-Y286 PolarHBondContact O-N 3.19Å; V284-C287 PolarHBondContact O-N 3.27Å; V284-L288 HydrophobicContact CG1-CD1 4.01Å; V284-L288 HydrophobicContact CG1-CG 4.35Å; V284-L288 WeakPolarHBondContact O-CB 3.45Å; V284-L288 WeakPolarHBondContact O-CG 3.39Å; V284-L288 PolarHBondContact O-N 2.89Å
285L91.5Very high87.9Confident2 Ų244.8 Ų44.81%0.0124%0.24CC..Hα-helixtrans-63.4-40.2179.6-171.361.6000111.6L222 I281 A282 V283 L288 V289 I320 R323 W327 F328L222-L285 HydrophobicContact CD2-CD1 4.24Å; L222-L285 HydrophobicContact CD2-CD2 4.43Å; I281-L285 VanDerWaalsContact O-CB 3.26Å; I281-L285 WeakPolarHBondContact O-CB 3.47Å; I281-L285 PolarHBondContact O-N 2.96Å; A282-L285 PolarHBondContact O-N 3.31Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-L285 PolarHBondContact O-N 3.2Å; L285-L288 PolarHBondContact O-N 2.93Å; L285-V289 HydrophobicContact CD1-CG2 4.3Å; L285-V289 HydrophobicContact CG-CG2 4.37Å; L285-V289 WeakPolarHBondContact O-CB 3.41Å; L285-V289 VanDerWaalsContact O-CG2 3.22Å; L285-V289 WeakPolarHBondContact O-CG2 3.47Å; L285-V289 PolarHBondContact O-N 3.02Å; L285-I320 HydrophobicContact CD1-CG1 4.18Å; L285-I320 HydrophobicContact CD1-CG2 3.97Å; L285-R323 HydrophobicContact CD2-CB 3.8Å; L285-W327 HydrophobicContact CD2-CE3 4.13Å; L285-W327 HydrophobicContact CD2-CZ3 3.87Å; L285-F328 HydrophobicContact CB-CZ 4.5Å; L285-F328 HydrophobicContact CD2-CE2 4.44Å; L285-F328 HydrophobicContact CG-CE2 4.45Å
286Y89.4Confident88.3Confident89 Ų8940.5 Ų40.535%0.34922%0.218SC..Hα-helixtrans-58.9-48.6173.8177.6-96.7000111.2A282 V283 V284 L288 V289 K290 F328A282-Y286 WeakPolarHBondContact O-CB 3.3Å; A282-Y286 PolarHBondContact O-N 2.77Å; V283-Y286 PolarHBondContact O-N 3.24Å; V284-Y286 VanDerWaalsContact C-N 3.33Å; V284-Y286 PolarHBondContact O-N 3.19Å; Y286-L288 VanDerWaalsContact C-N 3.34Å; Y286-L288 PolarHBondContact O-N 3.22Å; Y286-V289 PolarHBondContact O-N 3.48Å; Y286-K290 HydrophobicContact CD1-CG 4.39Å; Y286-K290 HydrophobicContact CE1-CG 3.97Å; Y286-K290 HydrophobicContact CE2-CG 4.23Å; Y286-K290 WeakPolarHBondContact O-CB 3.45Å; Y286-K290 WeakPolarHBondContact O-CG 3.21Å; Y286-K290 PolarHBondContact O-N 2.94Å; Y286-K290 WeakPolarHBondContact OH-CE 3.34Å; Y286-F328 HydrophobicContact CD2-CD1 4.4Å; Y286-F328 HydrophobicContact CD2-CE1 4.39Å
287C89Confident88.7Confident33 Ų3333.9 Ų33.922%0.22318%0.183CC..Hα-helixtrans-62.4-40.6177.8-64.20000112.3F173 V283 V284 K290 S291F173-C287 HydrophobicContact CD1-CB 3.58Å; F173-C287 HydrophobicContact CD2-CB 4.04Å; F173-C287 HydrophobicContact CE1-CB 3.32Å; F173-C287 HydrophobicContact CE2-CB 3.85Å; F173-C287 HydrophobicContact CG-CB 3.93Å; F173-C287 HydrophobicContact CZ-CB 3.48Å; F173-C287 VanDerWaalsContact CZ-CB 3.48Å; V283-C287 PolarHBondContact O-N 3.08Å; V283-C287 VanDerWaalsContact O-N 3.08Å; V283-C287 PolarHBondContact O-SG 3.47Å; V284-C287 PolarHBondContact O-N 3.27Å; C287-K290 PolarHBondContact O-N 3.35Å; C287-S291 WeakPolarHBondContact O-CB 3.41Å; C287-S291 PolarHBondContact O-N 3.25Å; C287-S291 VanDerWaalsContact O-N 3.07Å; C287-S291 PolarHBondContact O-OG 3.36Å
288L89.9Confident88.9Confident2 Ų229.6 Ų29.61%0.0116%0.157CC..Hα-helixtrans-62.7-45.9176.7-78.8170.2000112F173 I196 L218 L221 V284 L285 Y286 S291 L293F173-L288 HydrophobicContact CE1-CD2 4.5Å; F173-L288 HydrophobicContact CZ-CD2 4.25Å; F173-L288 HydrophobicContact CZ-CG 4.06Å; I196-L288 HydrophobicContact CD1-CD2 3.24Å; I196-L288 HydrophobicContact CD1-CG 4.37Å; I196-L288 HydrophobicContact CG1-CD2 3.75Å; L218-L288 HydrophobicContact CD2-CD1 4Å; L218-L288 HydrophobicContact CD2-CD2 4.42Å; L221-L288 HydrophobicContact CD2-CD1 3.79Å; V284-L288 HydrophobicContact CG1-CD1 4.01Å; V284-L288 HydrophobicContact CG1-CG 4.35Å; V284-L288 WeakPolarHBondContact O-CB 3.45Å; V284-L288 WeakPolarHBondContact O-CG 3.39Å; V284-L288 PolarHBondContact O-N 2.89Å; L285-L288 PolarHBondContact O-N 2.93Å; Y286-L288 VanDerWaalsContact C-N 3.34Å; Y286-L288 PolarHBondContact O-N 3.22Å; L288-S291 CarbonylContact O-C 3.59Å; L288-S291 WeakPolarHBondContact O-CA 3.41Å; L288-S291 WeakPolarHBondContact O-CB 3.44Å; L288-S291 PolarHBondContact O-N 3.31Å; L288-L293 HydrophobicContact CB-CB 4.22Å; L288-L293 HydrophobicContact CB-CD2 3.76Å; L288-L293 HydrophobicContact CD1-CD2 4.06Å; L288-L293 HydrophobicContact CD2-CD2 4.31Å; L288-L293 HydrophobicContact CG-CD2 4.27Å; L288-L293 WeakPolarHBondContact O-CB 3.28Å; L288-L293 PolarHBondContact O-N 2.92Å
289V88.1Confident89Confident5 Ų530.1 Ų30.13%0.0316%0.158CC..Hα-helixtrans-68.2-38.2-179.3170.90000111.1L285 Y286 S291 D292 I294 I320 H335L285-V289 HydrophobicContact CD1-CG2 4.3Å; L285-V289 HydrophobicContact CG-CG2 4.37Å; L285-V289 WeakPolarHBondContact O-CB 3.41Å; L285-V289 VanDerWaalsContact O-CG2 3.22Å; L285-V289 WeakPolarHBondContact O-CG2 3.47Å; L285-V289 PolarHBondContact O-N 3.02Å; Y286-V289 PolarHBondContact O-N 3.48Å; V289-S291 PolarHBondContact O-N 3.01Å; V289-D292 PolarHBondContact O-N 3.48Å; V289-I294 HydrophobicContact CG1-CD1 3.97Å; V289-I294 HydrophobicContact CG2-CD1 4.12Å; V289-I294 HydrophobicContact CG2-CG1 4.3Å; V289-I320 HydrophobicContact CG2-CG2 4.15Å; V289-H335 HydrophobicContact CG1-CB 4.07Å; V289-H335 VanDerWaalsContact CG1-ND1 3.35Å; V289-H335 WeakPolarHBondContact CG1-ND1 3.45Å
290K84.7Confident89.1Confident90 Ų9030.7 Ų30.739%0.39116%0.156SC..Hα-helixtrans-65.3-19.2169.8-71.4-61.9-173.4-164.30113.3Y286 C287 D292Y286-K290 HydrophobicContact CD1-CG 4.39Å; Y286-K290 HydrophobicContact CE1-CG 3.97Å; Y286-K290 HydrophobicContact CE2-CG 4.23Å; Y286-K290 WeakPolarHBondContact O-CB 3.45Å; Y286-K290 WeakPolarHBondContact O-CG 3.21Å; Y286-K290 PolarHBondContact O-N 2.94Å; Y286-K290 WeakPolarHBondContact OH-CE 3.34Å; C287-K290 PolarHBondContact O-N 3.35Å; K290-D292 VanDerWaalsContact C-N 3.3Å
291S84.2Confident89.2Confident44 Ų4429.8 Ų29.831%0.30815%0.15SC..THydrogen-bonded Turntrans-92.623.4174.1-51.90000113C287 L288 V289 L293C287-S291 WeakPolarHBondContact O-CB 3.41Å; C287-S291 PolarHBondContact O-N 3.25Å; C287-S291 VanDerWaalsContact O-N 3.07Å; C287-S291 PolarHBondContact O-OG 3.36Å; L288-S291 CarbonylContact O-C 3.59Å; L288-S291 WeakPolarHBondContact O-CA 3.41Å; L288-S291 WeakPolarHBondContact O-CB 3.44Å; L288-S291 PolarHBondContact O-N 3.31Å; V289-S291 PolarHBondContact O-N 3.01Å; S291-L293 VanDerWaalsContact C-N 3.32Å; S291-L293 PolarHBondContact O-N 3.47Å
292D85.8Confident89.1Confident96 Ų9629.8 Ų29.851%0.51315%0.15SC..THydrogen-bonded Turntrans6325.4179.1-69-29.6000115.6V289 K290 I294 K295 V296V289-D292 PolarHBondContact O-N 3.48Å; K290-D292 VanDerWaalsContact C-N 3.3Å; D292-I294 VanDerWaalsContact C-N 3.33Å; D292-I294 PolarHBondContact O-N 3.11Å; D292-K295 HydrophobicContact CB-CB 4.25Å; D292-K295 WeakPolarHBondContact O-CB 3.31Å; D292-K295 PolarHBondContact O-N 3.41Å; D292-K295 VanDerWaalsContact O-N 3.1Å; D292-V296 PolarHBondContact O-N 3.34Å
293L90.8Very high89Confident1 Ų133.4 Ų33.41%0.00518%0.175CC..Hα-helixtrans-51.6-48.4-179.3175.362.1000113.3M200 L203 L218 L288 S291 K295 V296 L297 I320M200-L293 HydrophobicContact CE-CB 4.31Å; M200-L293 HydrophobicContact CE-CD1 3.77Å; M200-L293 HydrophobicContact SD-CB 4.42Å; M200-L293 HydrophobicContact SD-CD1 3.77Å; L203-L293 HydrophobicContact CD1-CD1 4Å; L218-L293 HydrophobicContact CD1-CD1 3.77Å; L218-L293 HydrophobicContact CD1-CD2 4.41Å; L218-L293 HydrophobicContact CD2-CD1 4.38Å; L218-L293 HydrophobicContact CD2-CD2 4.03Å; L288-L293 HydrophobicContact CB-CB 4.22Å; L288-L293 HydrophobicContact CB-CD2 3.76Å; L288-L293 HydrophobicContact CD1-CD2 4.06Å; L288-L293 HydrophobicContact CD2-CD2 4.31Å; L288-L293 HydrophobicContact CG-CD2 4.27Å; L288-L293 WeakPolarHBondContact O-CB 3.28Å; L288-L293 PolarHBondContact O-N 2.92Å; S291-L293 VanDerWaalsContact C-N 3.32Å; S291-L293 PolarHBondContact O-N 3.47Å; L293-K295 VanDerWaalsContact C-N 3.26Å; L293-K295 PolarHBondContact O-N 2.86Å; L293-V296 PolarHBondContact O-N 2.91Å; L293-L297 HydrophobicContact CD1-CD1 3.86Å; L293-L297 HydrophobicContact CD1-CD2 4.42Å; L293-L297 HydrophobicContact CD1-CG 3.88Å; L293-L297 HydrophobicContact CD2-CD1 4.43Å; L293-L297 HydrophobicContact CG-CD1 3.89Å; L293-L297 HydrophobicContact CG-CG 4.31Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.29Å; L293-I320 HydrophobicContact CD2-CD1 3.91Å
294I89.7Confident88.9Confident4 Ų434 Ų342%0.02118%0.177CC..Hα-helixtrans-60.6-40.3-177.1-61.8172.5000110.6V289 D292 L297 A298 I320 L321 H335 L339V289-I294 HydrophobicContact CG1-CD1 3.97Å; V289-I294 HydrophobicContact CG2-CD1 4.12Å; V289-I294 HydrophobicContact CG2-CG1 4.3Å; D292-I294 VanDerWaalsContact C-N 3.33Å; D292-I294 PolarHBondContact O-N 3.11Å; I294-L297 PolarHBondContact O-N 2.89Å; I294-A298 VanDerWaalsContact O-CB 3.3Å; I294-A298 WeakPolarHBondContact O-CB 3.26Å; I294-A298 PolarHBondContact O-N 3.33Å; I294-I320 HydrophobicContact CD1-CG2 4.3Å; I294-I320 HydrophobicContact CG1-CG2 4.15Å; I294-L321 HydrophobicContact CD1-CD2 3.85Å; I294-H335 HydrophobicContact CD1-CB 4.16Å; I294-L339 HydrophobicContact CG2-CD1 4.32Å; I294-L339 HydrophobicContact CG2-CG 4.31Å
295K86.5Confident88.6Confident74 Ų7434.7 Ų34.732%0.32218%0.181SC..Hα-helixtrans-62.7-46.4179.4-174.3-174173.5-175.70111.2D292 L293 A298 E299 L342D292-K295 HydrophobicContact CB-CB 4.25Å; D292-K295 WeakPolarHBondContact O-CB 3.31Å; D292-K295 PolarHBondContact O-N 3.41Å; D292-K295 VanDerWaalsContact O-N 3.1Å; L293-K295 VanDerWaalsContact C-N 3.26Å; L293-K295 PolarHBondContact O-N 2.86Å; K295-A298 PolarHBondContact O-N 3.4Å; K295-E299 WeakPolarHBondContact CE-OE1 3.39Å; K295-E299 WeakPolarHBondContact O-CG 3.42Å; K295-E299 PolarHBondContact O-N 2.72Å; K295-L342 HydrophobicContact CB-CD1 4.49Å; K295-L342 HydrophobicContact CG-CD1 3.97Å; K295-L342 HydrophobicContact CG-CD2 3.96Å; K295-L342 HydrophobicContact CG-CG 4.19Å
296V89.7Confident88.5Confident4 Ų439.1 Ų39.12%0.02421%0.205CC..Hα-helixtrans-66.3-41.4179.7179.80000111.8M200 L203 R204 D292 L293 A298 E299 K300M200-V296 HydrophobicContact CE-CB 3.28Å; M200-V296 HydrophobicContact CE-CG1 3.71Å; M200-V296 HydrophobicContact CE-CG2 3.23Å; L203-V296 HydrophobicContact CB-CG1 3.9Å; L203-V296 HydrophobicContact CD1-CG1 4.2Å; R204-V296 HydrophobicContact CG-CG1 3.82Å; D292-V296 PolarHBondContact O-N 3.34Å; L293-V296 PolarHBondContact O-N 2.91Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-E299 PolarHBondContact O-N 2.99Å; V296-K300 WeakPolarHBondContact O-CB 3.49Å; V296-K300 PolarHBondContact O-N 2.67Å
297L92.6Very high88.7Confident0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-63.1-41.5175.2-69.4176.6000111.4L203 L218 L293 I294 K300 A301 I313 L316 I317 I320L203-L297 HydrophobicContact CD1-CD2 3.94Å; L203-L297 HydrophobicContact CD2-CD2 4.12Å; L218-L297 HydrophobicContact CD1-CD2 4.23Å; L293-L297 HydrophobicContact CD1-CD1 3.86Å; L293-L297 HydrophobicContact CD1-CD2 4.42Å; L293-L297 HydrophobicContact CD1-CG 3.88Å; L293-L297 HydrophobicContact CD2-CD1 4.43Å; L293-L297 HydrophobicContact CG-CD1 3.89Å; L293-L297 HydrophobicContact CG-CG 4.31Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.29Å; I294-L297 PolarHBondContact O-N 2.89Å; L297-K300 PolarHBondContact O-N 2.79Å; L297-A301 WeakPolarHBondContact O-CB 3.41Å; L297-A301 PolarHBondContact O-N 3.29Å; L297-I313 HydrophobicContact CB-CG2 3.86Å; L297-I313 HydrophobicContact CD2-CG1 4.48Å; L297-I313 HydrophobicContact CD2-CG2 3.98Å; L297-I313 HydrophobicContact CG-CG2 4.45Å; L297-I313 WeakPolarHBondContact O-CG2 3.31Å; L297-L316 HydrophobicContact CD1-CD2 4.28Å; L297-I317 HydrophobicContact CB-CD1 3.89Å; L297-I317 HydrophobicContact CB-CG1 3.73Å; L297-I317 HydrophobicContact CD1-CG1 4.2Å; L297-I320 HydrophobicContact CD1-CD1 3.66Å
298A89.9Confident88.9Confident0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-64.6-49.1176.700000111.7I294 K295 V296 K300 A301 L302 I317 L339 L342 L358I294-A298 VanDerWaalsContact O-CB 3.3Å; I294-A298 WeakPolarHBondContact O-CB 3.26Å; I294-A298 PolarHBondContact O-N 3.33Å; K295-A298 PolarHBondContact O-N 3.4Å; V296-A298 VanDerWaalsContact C-N 3.33Å; A298-K300 PolarHBondContact O-N 2.94Å; A298-A301 PolarHBondContact O-N 3.16Å; A298-A301 VanDerWaalsContact O-N 3.13Å; A298-L302 WeakPolarHBondContact O-CG 3.49Å; A298-L302 PolarHBondContact O-N 3.27Å; A298-I317 HydrophobicContact CB-CD1 4.49Å; A298-L339 HydrophobicContact CB-CD2 3.98Å; A298-L342 HydrophobicContact CB-CD1 3.6Å; A298-L358 HydrophobicContact CB-CD2 4.08Å
299E88.4Confident89.1Confident64 Ų6440.6 Ų40.630%0.29921%0.213SC..Hα-helixtrans-50.5-41.9174-75.8169.9-179.700111.5R204 K295 V296 S303 L342R204-E299 IonicContact CZ-OE2 3.97Å; R204-E299 IonicContact NE-OE2 2.69Å; R204-E299 IonicContact NH2-OE2 3.31Å; R204-E299 PolarHBondContact NH2-OE2 3.25Å; K295-E299 WeakPolarHBondContact CE-OE1 3.39Å; K295-E299 WeakPolarHBondContact O-CG 3.42Å; K295-E299 PolarHBondContact O-N 2.72Å; V296-E299 PolarHBondContact O-N 2.99Å; E299-S303 PolarHBondContact O-N 3.24Å; E299-S303 PolarHBondContact O-OG 2.69Å; E299-S303 VanDerWaalsContact O-OG 3.13Å; E299-L342 HydrophobicContact CG-CD2 4.3Å
300K89.8Confident89.4Confident35 Ų3540.6 Ų40.615%0.15221%0.213CC..Hα-helixtrans-71.1-45.8179.3-171.253.1168.7162.30112.8V296 L297 A298 L302 S303 H310 I313V296-K300 WeakPolarHBondContact O-CB 3.49Å; V296-K300 PolarHBondContact O-N 2.67Å; L297-K300 PolarHBondContact O-N 2.79Å; A298-K300 PolarHBondContact O-N 2.94Å; K300-L302 PolarHBondContact O-N 3.47Å; K300-S303 WeakPolarHBondContact O-CB 3.38Å; K300-S303 PolarHBondContact O-N 2.93Å; K300-S303 VanDerWaalsContact O-N 3.16Å; K300-H310 VanDerWaalsContact CE-NE2 3.26Å; K300-H310 WeakPolarHBondContact CE-NE2 3.41Å; K300-H310 PolarHBondContact NZ-NE2 2.7Å; K300-H310 PolarHBondContact O-CE1 3.5Å; K300-H310 VanDerWaalsContact O-CE1 3.32Å; K300-H310 PolarHBondContact O-ND1 3.28Å; K300-I313 HydrophobicContact CB-CD1 4.26Å; K300-I313 HydrophobicContact CG-CD1 3.64Å
301A90.3Very high89.9Confident2 Ų236.3 Ų36.32%0.01719%0.194CC..Hα-helixtrans-60.3-33.4177.200000112.7L297 A298 S303 P305 I313 I317 L358L297-A301 WeakPolarHBondContact O-CB 3.41Å; L297-A301 PolarHBondContact O-N 3.29Å; A298-A301 PolarHBondContact O-N 3.16Å; A298-A301 VanDerWaalsContact O-N 3.13Å; A301-S303 VanDerWaalsContact C-N 3.33Å; A301-S303 PolarHBondContact O-N 3.01Å; A301-P305 WeakPolarHBondContact O-CA 3.3Å; A301-I313 HydrophobicContact CB-CG2 4.09Å; A301-I317 HydrophobicContact CB-CD1 4.46Å; A301-L358 HydrophobicContact CB-CD1 3.97Å; A301-L358 HydrophobicContact CB-CD2 4.2Å
302L88.6Confident90.4Very high17 Ų1734.5 Ų34.59%0.08918%0.181CC..Hα-helixtrans-70.6-26.7178.4-65.8172.3000113.5A298 K300 D304 Q354 A355 L358A298-L302 WeakPolarHBondContact O-CG 3.49Å; A298-L302 PolarHBondContact O-N 3.27Å; K300-L302 PolarHBondContact O-N 3.47Å; L302-D304 VanDerWaalsContact C-N 3.31Å; L302-D304 PolarHBondContact O-N 2.79Å; L302-Q354 VanDerWaalsContact CD2-C 3.49Å; L302-Q354 HydrophobicContact CD2-CB 3.99Å; L302-Q354 WeakPolarHBondContact CD2-O 3.42Å; L302-Q354 VanDerWaalsContact O-CD 3.31Å; L302-Q354 PolarHBondContact O-NE2 2.83Å; L302-Q354 PolarHBondContact O-OE1 3.19Å; L302-Q354 VanDerWaalsContact O-OE1 3.1Å; L302-A355 HydrophobicContact CD1-CB 4.22Å; L302-A355 HydrophobicContact CD2-CB 3.69Å; L302-L358 HydrophobicContact CD2-CB 4.1Å; L302-L358 HydrophobicContact CD2-CD2 4.04Å; L302-L358 HydrophobicContact CG-CD2 4.25Å
303S87Confident90.9Very high82 Ų8230 Ų3057%0.57316%0.156SC*.Hα-helixtrans-62.2-38.9-175.1-61.70000112.5E299 K300 A301E299-S303 PolarHBondContact O-N 3.24Å; E299-S303 PolarHBondContact O-OG 2.69Å; E299-S303 VanDerWaalsContact O-OG 3.13Å; K300-S303 WeakPolarHBondContact O-CB 3.38Å; K300-S303 PolarHBondContact O-N 2.93Å; K300-S303 VanDerWaalsContact O-N 3.16Å; A301-S303 VanDerWaalsContact C-N 3.33Å; A301-S303 PolarHBondContact O-N 3.01Å
304D88.5Confident91Very high69 Ų6930 Ų3037%0.36916%0.156SC..  trans-156.986.1177.4-174.3-0.6000110.6L302 D306 R307 H310L302-D304 VanDerWaalsContact C-N 3.31Å; L302-D304 PolarHBondContact O-N 2.79Å; D304-D306 PolarHBondContact O-N 3.19Å; D304-R307 HydrophobicContact CB-CB 4.33Å; D304-R307 PolarHBondContact O-N 3.07Å; D304-H310 PolarHBondContact N-ND1 2.98Å; D304-H310 VanDerWaalsContact O-CB 3.26Å; D304-H310 WeakPolarHBondContact O-CB 3.38Å; D304-H310 VanDerWaalsContact O-CG 3.31Å; D304-H310 PolarHBondContact O-ND1 3.32Å
305P86Confident91.3Very high16 Ų1629.8 Ų29.810%0.10416%0.155CC..THydrogen-bonded Turntrans-65.9-16.6-164.725.8-35.2000114.8A301 L311 M357 R361A301-P305 WeakPolarHBondContact O-CA 3.3Å; P305-L311 WeakPolarHBondContact O-CD2 3.34Å; P305-M357 HydrophobicContact CB-CE 4.26Å; P305-M357 HydrophobicContact CB-SD 3.72Å; P305-M357 HydrophobicContact CG-CE 3.82Å; P305-M357 HydrophobicContact CG-SD 3.98Å; P305-R361 PolarHBondContact O-NH1 3.42Å
306D90Very high91.7Very high94 Ų9426.2 Ų26.250%0.50314%0.14SC..THydrogen-bonded Turntrans-101.8-3.2-175.4-64.3-35.9000113.3D304 R361D304-D306 PolarHBondContact O-N 3.19Å; D306-R361 IonicContact OD1-CZ 2.72Å; D306-R361 IonicContact OD1-NH1 2.99Å; D306-R361 IonicContact OD1-NH2 3.45Å; D306-R361 PolarHBondContact OD1-NH2 3.2Å
307R92.7Very high91.9Very high92 Ų9226 Ų2635%0.34714%0.139SC..SBendtrans-67.9140.1174.8-165.6177-173.4134.9-0.2111.1E208 D304 L309 H310 L311E208-R307 IonicContact OE1-CZ 2.84Å; E208-R307 VanDerWaalsContact OE1-CZ 3.3Å; E208-R307 IonicContact OE1-NE 3.49Å; E208-R307 PolarHBondContact OE1-NE 3.45Å; E208-R307 IonicContact OE1-NH2 3.56Å; E208-R307 PolarHBondContact OE1-NH2 3.16Å; E208-R307 IonicContact OE2-CZ 3.71Å; E208-R307 IonicContact OE2-NE 3.92Å; E208-R307 IonicContact OE2-NH2 3.49Å; E208-R307 PolarHBondContact OE2-NH2 3.45Å; D304-R307 HydrophobicContact CB-CB 4.33Å; D304-R307 PolarHBondContact O-N 3.07Å; R307-L309 VanDerWaalsContact C-N 3.33Å; R307-L309 PolarHBondContact O-N 3.26Å; R307-H310 HydrophobicContact CB-CB 4.32Å; R307-H310 PolarHBondContact O-N 3.39Å; R307-L311 PolarHBondContact O-N 3.07Å
308P93.8Very high91.9Very high58 Ų5826.2 Ų26.238%0.37714%0.14SC..Hα-helixtrans-50.6-44.9-178.1-3236.7000115.3F231 H310 L311 K312F231-P308 VanDerWaalsContact O-CA 3.24Å; F231-P308 WeakPolarHBondContact O-CA 3.31Å; F231-P308 VanDerWaalsContact O-CB 3.22Å; F231-P308 WeakPolarHBondContact O-CB 3.5Å; P308-H310 VanDerWaalsContact C-N 3.34Å; P308-H310 PolarHBondContact O-N 3.24Å; P308-L311 WeakPolarHBondContact O-CB 3.34Å; P308-L311 PolarHBondContact O-N 3.26Å; P308-K312 PolarHBondContact O-N 2.96Å
309L93.6Very high91.9Very high6 Ų626.6 Ų26.63%0.03114%0.142CC..Hα-helixtrans-64.8-37.4177.8-176.962.9000112.3E208 Q211 E212 V215 R307 K312 I313E208-L309 HydrophobicContact CG-CD2 4.38Å; Q211-L309 HydrophobicContact CB-CD2 3.6Å; E212-L309 HydrophobicContact CB-CD1 4.15Å; E212-L309 HydrophobicContact CB-CD2 4.5Å; E212-L309 HydrophobicContact CG-CD1 4.4Å; V215-L309 HydrophobicContact CB-CD1 4.17Å; V215-L309 HydrophobicContact CG1-CD1 4.34Å; V215-L309 HydrophobicContact CG2-CD1 4.08Å; R307-L309 VanDerWaalsContact C-N 3.33Å; R307-L309 PolarHBondContact O-N 3.26Å; L309-K312 WeakPolarHBondContact O-CB 3.46Å; L309-K312 PolarHBondContact O-N 3.42Å; L309-I313 HydrophobicContact CG-CD1 4.25Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.46Å; L309-I313 PolarHBondContact O-N 2.96Å
310H94Very high92.1Very high4 Ų423.6 Ų23.62%0.01913%0.128CC..Hα-helixtrans-76-31-178.8-64.5-176.7000112.1K300 D304 R307 P308 I313 T314K300-H310 VanDerWaalsContact CE-NE2 3.26Å; K300-H310 WeakPolarHBondContact CE-NE2 3.41Å; K300-H310 PolarHBondContact NZ-NE2 2.7Å; K300-H310 PolarHBondContact O-CE1 3.5Å; K300-H310 VanDerWaalsContact O-CE1 3.32Å; K300-H310 PolarHBondContact O-ND1 3.28Å; D304-H310 PolarHBondContact N-ND1 2.98Å; D304-H310 VanDerWaalsContact O-CB 3.26Å; D304-H310 WeakPolarHBondContact O-CB 3.38Å; D304-H310 VanDerWaalsContact O-CG 3.31Å; D304-H310 PolarHBondContact O-ND1 3.32Å; R307-H310 HydrophobicContact CB-CB 4.32Å; R307-H310 PolarHBondContact O-N 3.39Å; P308-H310 VanDerWaalsContact C-N 3.34Å; P308-H310 PolarHBondContact O-N 3.24Å; H310-I313 PolarHBondContact O-N 3.31Å; H310-T314 PolarHBondContact O-N 3.08Å; H310-T314 PolarHBondContact O-OG1 3.33Å
311L95.3Very high92.1Very high1 Ų122.6 Ų22.61%0.00512%0.124CC..Hα-helixtrans-60.7-45.9166.1-68.2175.6000111F231 W234 V237 P305 R307 P308 I313 T314 L315F231-L311 HydrophobicContact CB-CB 4.25Å; F231-L311 HydrophobicContact CB-CD1 4.32Å; W234-L311 HydrophobicContact CB-CD2 4.32Å; W234-L311 HydrophobicContact CE3-CD2 4.02Å; V237-L311 HydrophobicContact CG2-CB 3.96Å; V237-L311 HydrophobicContact CG2-CD2 4.42Å; P305-L311 WeakPolarHBondContact O-CD2 3.34Å; R307-L311 PolarHBondContact O-N 3.07Å; P308-L311 WeakPolarHBondContact O-CB 3.34Å; P308-L311 PolarHBondContact O-N 3.26Å; L311-I313 PolarHBondContact O-N 2.89Å; L311-T314 WeakPolarHBondContact O-CB 3.47Å; L311-T314 PolarHBondContact O-N 2.79Å; L311-L315 PolarHBondContact O-N 2.84Å; L311-L315 VanDerWaalsContact O-N 3.08Å
312K95.3Very high91.9Very high5 Ų524.8 Ų24.82%0.02213%0.132CC..Hα-helixtrans-60.5-41.9174.2-170.5-175.2-68.3-176.20111.6E212 V215 Y226 V227 R229 F231 P308 L309 L315 L316E212-K312 IonicContact OE1-NZ 3.15Å; V215-K312 HydrophobicContact CG1-CD 3.99Å; V215-K312 HydrophobicContact CG1-CG 4.28Å; Y226-K312 HydrophobicContact CD2-CG 4.21Å; Y226-K312 HydrophobicContact CE2-CG 4.22Å; V227-K312 PolarHBondContact O-NZ 3.36Å; R229-K312 WeakPolarHBondContact O-CE 3.35Å; R229-K312 PolarHBondContact O-NZ 3.47Å; R229-K312 VanDerWaalsContact O-NZ 3.11Å; F231-K312 HydrophobicContact CD2-CB 4.35Å; P308-K312 PolarHBondContact O-N 2.96Å; L309-K312 WeakPolarHBondContact O-CB 3.46Å; L309-K312 PolarHBondContact O-N 3.42Å; K312-L315 WeakPolarHBondContact O-CB 3.48Å; K312-L315 PolarHBondContact O-N 3.4Å; K312-L316 WeakPolarHBondContact O-CB 3.3Å; K312-L316 PolarHBondContact O-N 3.48Å
313I95.4Very high91.8Very high1 Ų125.7 Ų25.71%0.00514%0.135CC..Hα-helixtrans-62-43.2174.8-70.7163.7000111.3V215 L297 K300 A301 L309 H310 L311 L315 L316 I317V215-I313 HydrophobicContact CG1-CG1 4.41Å; V215-I313 HydrophobicContact CG2-CD1 3.95Å; V215-I313 HydrophobicContact CG2-CG1 3.63Å; L297-I313 HydrophobicContact CB-CG2 3.86Å; L297-I313 HydrophobicContact CD2-CG1 4.48Å; L297-I313 HydrophobicContact CD2-CG2 3.98Å; L297-I313 HydrophobicContact CG-CG2 4.45Å; L297-I313 WeakPolarHBondContact O-CG2 3.31Å; K300-I313 HydrophobicContact CB-CD1 4.26Å; K300-I313 HydrophobicContact CG-CD1 3.64Å; A301-I313 HydrophobicContact CB-CG2 4.09Å; L309-I313 HydrophobicContact CG-CD1 4.25Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.46Å; L309-I313 PolarHBondContact O-N 2.96Å; H310-I313 PolarHBondContact O-N 3.31Å; L311-I313 PolarHBondContact O-N 2.89Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 2.94Å; I313-L316 CarbonylContact O-C 3.23Å; I313-L316 WeakPolarHBondContact O-CB 3.48Å; I313-L316 PolarHBondContact O-N 3.29Å; I313-L316 VanDerWaalsContact O-N 3.14Å; I313-I317 HydrophobicContact CG2-CD1 3.96Å; I313-I317 HydrophobicContact CG2-CG1 4.28Å; I313-I317 WeakPolarHBondContact O-CG1 3.42Å; I313-I317 PolarHBondContact O-N 2.8Å
314T94.4Very high91.8Very high1 Ų122 Ų221%0.00611%0.108CC..Hα-helixtrans-59.8-41.8177.4-56.90000111.3W234 H310 L311 I317 E318 L358 R361 V362 L365W234-T314 HydrophobicContact CH2-CG2 4.39Å; W234-T314 HydrophobicContact CZ3-CG2 4.04Å; H310-T314 PolarHBondContact O-N 3.08Å; H310-T314 PolarHBondContact O-OG1 3.33Å; L311-T314 WeakPolarHBondContact O-CB 3.47Å; L311-T314 PolarHBondContact O-N 2.79Å; T314-I317 PolarHBondContact O-N 3.41Å; T314-E318 PolarHBondContact O-N 3.39Å; T314-L358 HydrophobicContact CG2-CD1 3.71Å; T314-R361 HydrophobicContact CG2-CB 4.05Å; T314-V362 HydrophobicContact CG2-CG2 4.35Å; T314-L365 HydrophobicContact CG2-CD1 4.29Å
315L95.1Very high91.5Very high0 Ų026.7 Ų26.70%012%0.122CC..Hα-helixtrans-63.4-42.2174.9-169.166.9000112.1Y226 F231 V237 Y240 R241 L311 K312 I313 E318 D319 L365Y226-L315 HydrophobicContact CD1-CD2 3.75Å; Y226-L315 HydrophobicContact CD2-CD2 3.84Å; Y226-L315 HydrophobicContact CE1-CD2 3.76Å; Y226-L315 HydrophobicContact CE1-CG 4.07Å; Y226-L315 HydrophobicContact CE2-CD2 3.87Å; Y226-L315 HydrophobicContact CE2-CG 4.31Å; Y226-L315 HydrophobicContact CG-CD2 3.78Å; F231-L315 HydrophobicContact CE2-CD2 3.77Å; F231-L315 HydrophobicContact CZ-CD2 3.72Å; V237-L315 HydrophobicContact CG1-CB 4.18Å; V237-L315 HydrophobicContact CG1-CD1 3.71Å; V237-L315 HydrophobicContact CG1-CD2 4.37Å; V237-L315 HydrophobicContact CG1-CG 4.33Å; Y240-L315 HydrophobicContact CD1-CD2 3.9Å; Y240-L315 HydrophobicContact CE1-CD2 3.95Å; R241-L315 VanDerWaalsContact NH2-CG 3.33Å; R241-L315 PolarHBondContact NH2-O 2.85Å; L311-L315 PolarHBondContact O-N 2.84Å; L311-L315 VanDerWaalsContact O-N 3.08Å; K312-L315 WeakPolarHBondContact O-CB 3.48Å; K312-L315 PolarHBondContact O-N 3.4Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 2.94Å; L315-E318 PolarHBondContact O-N 3Å; L315-D319 PolarHBondContact O-N 3.04Å; L315-L365 HydrophobicContact CD1-CD1 4.02Å; L315-L365 HydrophobicContact CD1-CD2 3.84Å
316L95Very high91.2Very high0 Ų028.5 Ų28.50%013%0.127CC..Hα-helixtrans-64.8-41.1176.8-18063.5000112.5V215 L218 L222 Y226 L297 K312 I313 E318 D319 I320V215-L316 HydrophobicContact CG1-CD2 4.16Å; L218-L316 HydrophobicContact CB-CD2 3.89Å; L218-L316 HydrophobicContact CD1-CD2 4.08Å; L222-L316 HydrophobicContact CD1-CD1 3.56Å; Y226-L316 WeakPolarHBondContact OH-CA 3.5Å; L297-L316 HydrophobicContact CD1-CD2 4.28Å; K312-L316 WeakPolarHBondContact O-CB 3.3Å; K312-L316 PolarHBondContact O-N 3.48Å; I313-L316 CarbonylContact O-C 3.23Å; I313-L316 WeakPolarHBondContact O-CB 3.48Å; I313-L316 PolarHBondContact O-N 3.29Å; I313-L316 VanDerWaalsContact O-N 3.14Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-E318 PolarHBondContact O-N 2.84Å; L316-D319 PolarHBondContact O-N 2.73Å; L316-I320 HydrophobicContact CD1-CD1 4.19Å; L316-I320 HydrophobicContact CD1-CG1 4.3Å; L316-I320 HydrophobicContact CG-CD1 3.91Å; L316-I320 HydrophobicContact CG-CG1 4.45Å; L316-I320 WeakPolarHBondContact O-CB 3.11Å; L316-I320 VanDerWaalsContact O-CG1 3.3Å; L316-I320 WeakPolarHBondContact O-CG1 3.43Å; L316-I320 PolarHBondContact O-N 3.06Å
317I93.8Very high90.8Very high0 Ų026.2 Ų26.20%011%0.111CC..Hα-helixtrans-57.3-47174.5-70.4167.6000109.9L297 A298 A301 I313 T314 D319 I320 L321 L339 V362L297-I317 HydrophobicContact CB-CD1 3.89Å; L297-I317 HydrophobicContact CB-CG1 3.73Å; L297-I317 HydrophobicContact CD1-CG1 4.2Å; A298-I317 HydrophobicContact CB-CD1 4.49Å; A301-I317 HydrophobicContact CB-CD1 4.46Å; I313-I317 HydrophobicContact CG2-CD1 3.96Å; I313-I317 HydrophobicContact CG2-CG1 4.28Å; I313-I317 WeakPolarHBondContact O-CG1 3.42Å; I313-I317 PolarHBondContact O-N 2.8Å; T314-I317 PolarHBondContact O-N 3.41Å; I317-D319 PolarHBondContact O-N 3.4Å; I317-I320 PolarHBondContact O-N 3.39Å; I317-L321 HydrophobicContact CG2-CD1 3.85Å; I317-L321 HydrophobicContact CG2-CG 4.35Å; I317-L321 WeakPolarHBondContact O-CB 3.48Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.17Å; I317-L321 PolarHBondContact O-N 3.29Å; I317-L339 HydrophobicContact CG2-CD1 4.36Å; I317-V362 HydrophobicContact CG2-CG2 4.17Å
318E92.6Very high90.1Very high3 Ų323.5 Ų23.51%0.01410%0.102CC..Hα-helixtrans-63.8-40.9178.4-174.3-90.4155.800112.3R241 T314 L315 L316 L321 Y322 V362 L365 R369R241-E318 IonicContact CZ-OE2 3.72Å; R241-E318 IonicContact NE-OE2 2.73Å; R241-E318 PolarHBondContact NE-OE2 3.41Å; R241-E318 IonicContact NH2-OE2 2.73Å; R241-E318 PolarHBondContact NH2-OE2 3.15Å; T314-E318 PolarHBondContact O-N 3.39Å; L315-E318 PolarHBondContact O-N 3Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-E318 PolarHBondContact O-N 2.84Å; E318-L321 PolarHBondContact O-N 2.86Å; E318-Y322 VanDerWaalsContact O-CB 3.3Å; E318-Y322 WeakPolarHBondContact O-CB 3.39Å; E318-Y322 PolarHBondContact O-N 3.46Å; E318-V362 HydrophobicContact CB-CG1 4.24Å; E318-V362 HydrophobicContact CG-CG1 4.35Å; E318-L365 HydrophobicContact CB-CB 4.18Å; E318-L365 HydrophobicContact CB-CD1 4.1Å; E318-L365 HydrophobicContact CG-CB 3.71Å; E318-R369 IonicContact OE1-CZ 3.3Å; E318-R369 VanDerWaalsContact OE1-CZ 3.29Å; E318-R369 IonicContact OE1-NE 2.66Å; E318-R369 PolarHBondContact OE1-NE 2.7Å; E318-R369 IonicContact OE1-NH2 2.66Å; E318-R369 PolarHBondContact OE1-NH2 3.35Å; E318-R369 IonicContact OE2-CZ 3.14Å; E318-R369 IonicContact OE2-NE 3Å; E318-R369 IonicContact OE2-NH2 3.05Å; E318-R369 PolarHBondContact OE2-NH2 3.35Å
319D91.4Very high88.7Confident8 Ų830.7 Ų30.74%0.04312%0.122CC..Hα-helixtrans-64.5-40.1175.6-98.2-45000112.9Y226 R241 L315 L316 I317 R323 R369Y226-D319 VanDerWaalsContact CE1-OD2 3.3Å; Y226-D319 WeakPolarHBondContact CE1-OD2 3.34Å; Y226-D319 PolarHBondContact OH-OD2 2.99Å; R241-D319 IonicContact CZ-OD2 3.65Å; R241-D319 IonicContact NH1-OD1 3.34Å; R241-D319 IonicContact NH1-OD2 3.66Å; R241-D319 PolarHBondContact NH1-OD2 2.73Å; R241-D319 VanDerWaalsContact NH1-OD2 3.16Å; R241-D319 VanDerWaalsContact NH2-CG 3.34Å; R241-D319 IonicContact NH2-OD1 2.68Å; R241-D319 IonicContact NH2-OD2 2.68Å; R241-D319 PolarHBondContact NH2-OD2 3.46Å; L315-D319 PolarHBondContact O-N 3.04Å; L316-D319 PolarHBondContact O-N 2.73Å; I317-D319 PolarHBondContact O-N 3.4Å; D319-R323 VanDerWaalsContact O-CG 3.31Å; D319-R323 WeakPolarHBondContact O-CG 3.31Å; D319-R323 PolarHBondContact O-N 2.75Å; D319-R369 IonicContact OD1-CZ 3.68Å; D319-R369 IonicContact OD1-NH1 3.84Å; D319-R369 PolarHBondContact OD1-NH1 2.76Å; D319-R369 IonicContact OD1-NH2 3.92Å; D319-R369 PolarHBondContact OD1-NH2 3.49Å; D319-R369 IonicContact OD2-NH2 2.77Å
320I92.1Very high87Confident1 Ų136 Ų361%0.00515%0.154CC..Hα-helixtrans-61.8-52.2174.5-72.3167.8000109.7L222 L285 V289 L293 I294 L297 L316 I317 Y322 R323 C324L222-I320 HydrophobicContact CD1-CG1 3.8Å; L285-I320 HydrophobicContact CD1-CG1 4.18Å; L285-I320 HydrophobicContact CD1-CG2 3.97Å; V289-I320 HydrophobicContact CG2-CG2 4.15Å; L293-I320 HydrophobicContact CD2-CD1 3.91Å; I294-I320 HydrophobicContact CD1-CG2 4.3Å; I294-I320 HydrophobicContact CG1-CG2 4.15Å; L297-I320 HydrophobicContact CD1-CD1 3.66Å; L316-I320 HydrophobicContact CD1-CD1 4.19Å; L316-I320 HydrophobicContact CD1-CG1 4.3Å; L316-I320 HydrophobicContact CG-CD1 3.91Å; L316-I320 HydrophobicContact CG-CG1 4.45Å; L316-I320 WeakPolarHBondContact O-CB 3.11Å; L316-I320 VanDerWaalsContact O-CG1 3.3Å; L316-I320 WeakPolarHBondContact O-CG1 3.43Å; L316-I320 PolarHBondContact O-N 3.06Å; I317-I320 PolarHBondContact O-N 3.39Å; I320-Y322 VanDerWaalsContact C-N 3.32Å; I320-Y322 PolarHBondContact O-N 2.91Å; I320-R323 PolarHBondContact O-N 2.73Å; I320-C324 WeakPolarHBondContact O-CB 3.28Å; I320-C324 PolarHBondContact O-N 3.08Å; I320-C324 PolarHBondContact O-SG 2.88Å
321L89.2Confident85.1Confident15 Ų1538.5 Ų38.58%0.07917%0.168CC..Hα-helixtrans-60.3-42.1-179.6-72.1172.9000112I294 I317 E318 R323 C324 Y325 L339 V362I294-L321 HydrophobicContact CD1-CD2 3.85Å; I317-L321 HydrophobicContact CG2-CD1 3.85Å; I317-L321 HydrophobicContact CG2-CG 4.35Å; I317-L321 WeakPolarHBondContact O-CB 3.48Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.17Å; I317-L321 PolarHBondContact O-N 3.29Å; E318-L321 PolarHBondContact O-N 2.86Å; L321-R323 PolarHBondContact O-N 3.43Å; L321-C324 PolarHBondContact O-N 3.41Å; L321-Y325 WeakPolarHBondContact O-CB 3.43Å; L321-Y325 PolarHBondContact O-N 3.48Å; L321-L339 HydrophobicContact CD1-CD1 3.73Å; L321-V362 HydrophobicContact CD1-CG1 3.96Å
322Y86.6Confident83Confident48 Ų4839.5 Ų39.519%0.18817%0.174CC..Hα-helixtrans-58.7-47175.9173.2-101.4000111.6E318 I320 Y325 R326 R369E318-Y322 VanDerWaalsContact O-CB 3.3Å; E318-Y322 WeakPolarHBondContact O-CB 3.39Å; E318-Y322 PolarHBondContact O-N 3.46Å; I320-Y322 VanDerWaalsContact C-N 3.32Å; I320-Y322 PolarHBondContact O-N 2.91Å; Y322-Y325 PolarHBondContact O-N 2.94Å; Y322-R326 WeakPolarHBondContact O-CB 3.46Å; Y322-R326 PolarHBondContact O-N 3.14Å; Y322-R369 VanDerWaalsContact CD1-NH1 3.26Å
323R86.6Confident80.9Confident36 Ų3643.2 Ų43.214%0.13620%0.201CC..Hα-helixtrans-68-40.7178.5-71.5174.2-174-130.86.3112.3L222 L285 D319 I320 L321 R326 W327L222-R323 PolarHBondContact O-NH1 2.96Å; L222-R323 PolarHBondContact O-NH2 3.19Å; L285-R323 HydrophobicContact CD2-CB 3.8Å; D319-R323 VanDerWaalsContact O-CG 3.31Å; D319-R323 WeakPolarHBondContact O-CG 3.31Å; D319-R323 PolarHBondContact O-N 2.75Å; I320-R323 PolarHBondContact O-N 2.73Å; L321-R323 PolarHBondContact O-N 3.43Å; R323-R326 PolarHBondContact O-N 3.28Å; R323-W327 HydrophobicContact CB-CD2 4.36Å; R323-W327 HydrophobicContact CB-CE3 3.92Å; R323-W327 HydrophobicContact CB-CH2 4.15Å; R323-W327 HydrophobicContact CB-CZ3 3.81Å; R323-W327 HydrophobicContact CG-CH2 4.09Å; R323-W327 HydrophobicContact CG-CZ2 4.37Å; R323-W327 HydrophobicContact CG-CZ3 4.25Å; R323-W327 WeakPolarHBondContact O-CB 3.33Å; R323-W327 PolarHBondContact O-N 2.85Å
324C86.1Confident79Confident3 Ų348.9 Ų48.92%0.0223%0.227CC..Hα-helixtrans-58.8-48.7174-71.70000111I320 L321 R326 W327 F328 T332I320-C324 WeakPolarHBondContact O-CB 3.28Å; I320-C324 PolarHBondContact O-N 3.08Å; I320-C324 PolarHBondContact O-SG 2.88Å; L321-C324 PolarHBondContact O-N 3.41Å; C324-R326 VanDerWaalsContact C-N 3.28Å; C324-R326 PolarHBondContact O-N 2.99Å; C324-W327 PolarHBondContact O-N 3.49Å; C324-F328 HydrophobicContact CB-CD2 3.83Å; C324-F328 HydrophobicContact CB-CE2 4.21Å; C324-F328 WeakPolarHBondContact O-CA 3.48Å; C324-F328 WeakPolarHBondContact O-CB 3.39Å; C324-F328 PolarHBondContact O-N 3.32Å; C324-T332 HydrophobicContact CB-CG2 4.06Å; C324-T332 WeakPolarHBondContact O-CG2 3.38Å
325Y82Confident77Confident169 Ų16950.1 Ų50.166%0.66323%0.233SC*.Hα-helixtrans-59.5-40.5176.9-179.7-99.4000112.1L321 Y322L321-Y325 WeakPolarHBondContact O-CB 3.43Å; L321-Y325 PolarHBondContact O-N 3.48Å; Y322-Y325 PolarHBondContact O-N 2.94Å
326R80.1Confident75Confident53 Ų5352.2 Ų52.220%0.225%0.25CS..Hα-helixtrans-66.4-42.4179.2-170.3-178.5-176.5-177.84.8112.8V267 D271 Y322 R323 C324V267-R326 PolarHBondContact O-NH1 3.29Å; V267-R326 PolarHBondContact O-NH2 2.75Å; D271-R326 IonicContact OD1-CZ 3.64Å; D271-R326 IonicContact OD1-NE 3.29Å; D271-R326 PolarHBondContact OD1-NE 3.33Å; D271-R326 IonicContact OD1-NH2 2.99Å; D271-R326 PolarHBondContact OD1-NH2 3.09Å; Y322-R326 WeakPolarHBondContact O-CB 3.46Å; Y322-R326 PolarHBondContact O-N 3.14Å; R323-R326 PolarHBondContact O-N 3.28Å; C324-R326 VanDerWaalsContact C-N 3.28Å; C324-R326 PolarHBondContact O-N 2.99Å
327W82.5Confident73Confident46 Ų4654.5 Ų54.517%0.17427%0.266CS..Hα-helixtrans-98.5-33.6-171.2-59-31.2000114.3N278 I281 A282 L285 R323 C324N278-W327 HydrophobicContact CB-CZ2 4Å; I281-W327 HydrophobicContact CB-CH2 4.32Å; I281-W327 HydrophobicContact CG2-CH2 3.89Å; I281-W327 HydrophobicContact CG2-CZ3 4Å; A282-W327 HydrophobicContact CB-CB 4.33Å; A282-W327 HydrophobicContact CB-CD2 3.86Å; A282-W327 HydrophobicContact CB-CE3 3.48Å; A282-W327 VanDerWaalsContact CB-CE3 3.48Å; A282-W327 HydrophobicContact CB-CG 4.25Å; A282-W327 HydrophobicContact CB-CZ3 3.98Å; L285-W327 HydrophobicContact CD2-CE3 4.13Å; L285-W327 HydrophobicContact CD2-CZ3 3.87Å; R323-W327 HydrophobicContact CB-CD2 4.36Å; R323-W327 HydrophobicContact CB-CE3 3.92Å; R323-W327 HydrophobicContact CB-CH2 4.15Å; R323-W327 HydrophobicContact CB-CZ3 3.81Å; R323-W327 HydrophobicContact CG-CH2 4.09Å; R323-W327 HydrophobicContact CG-CZ2 4.37Å; R323-W327 HydrophobicContact CG-CZ3 4.25Å; R323-W327 WeakPolarHBondContact O-CB 3.33Å; R323-W327 PolarHBondContact O-N 2.85Å; C324-W327 PolarHBondContact O-N 3.49Å
328F77Confident71.2Confident36 Ų3655.6 Ų55.616%0.15827%0.274CS..  trans-111.352.1-172.6-45.3-50.4000112.3A282 L285 Y286 C324 T330 D331 T332A282-F328 HydrophobicContact CB-CE1 4.11Å; A282-F328 HydrophobicContact CB-CZ 4.15Å; A282-F328 WeakPolarHBondContact O-CZ 3.49Å; L285-F328 HydrophobicContact CB-CZ 4.5Å; L285-F328 HydrophobicContact CD2-CE2 4.44Å; L285-F328 HydrophobicContact CG-CE2 4.45Å; Y286-F328 HydrophobicContact CD2-CD1 4.4Å; Y286-F328 HydrophobicContact CD2-CE1 4.39Å; C324-F328 HydrophobicContact CB-CD2 3.83Å; C324-F328 HydrophobicContact CB-CE2 4.21Å; C324-F328 WeakPolarHBondContact O-CA 3.48Å; C324-F328 WeakPolarHBondContact O-CB 3.39Å; C324-F328 PolarHBondContact O-N 3.32Å; F328-T330 PolarHBondContact O-N 3.37Å; F328-D331 PolarHBondContact O-N 3.39Å; F328-T332 HydrophobicContact CB-CG2 3.97Å; F328-T332 WeakPolarHBondContact O-CG2 3.5Å
329R64.8Low69.9Low209 Ų20956 Ų5679%0.78928%0.276SS*.THydrogen-bonded Turntrans-43.2-22.8-170.4-72.9-177.1166173.8-3.8116.8
330T57.9Low68.4Low116 Ų11659.7 Ų59.771%0.71230%0.296SS*.THydrogen-bonded Turntrans-100.8-30.4-177.554.60000115.4F328F328-T330 PolarHBondContact O-N 3.37Å
331D53.3Low66.7Low57 Ų5762.8 Ų62.831%0.30532%0.315SS..THydrogen-bonded Turntrans-102.8-0-166.5-64.17.8000112.8F328 S333 H335F328-D331 PolarHBondContact O-N 3.39Å; D331-S333 PolarHBondContact O-N 3.5Å; D331-H335 PolarHBondContact O-CD2 3.36Å; D331-H335 VanDerWaalsContact O-CD2 3.25Å
332T51.8Low65.2Low22 Ų2263.7 Ų63.714%0.13532%0.32CS..Hα-helixtrans-77.8-20.7-17049.80000114.4C324 F328 E334 H335 A336C324-T332 HydrophobicContact CB-CG2 4.06Å; C324-T332 WeakPolarHBondContact O-CG2 3.38Å; F328-T332 HydrophobicContact CB-CG2 3.97Å; F328-T332 WeakPolarHBondContact O-CG2 3.5Å; T332-E334 VanDerWaalsContact C-N 3.34Å; T332-H335 PolarHBondContact O-N 3.12Å; T332-A336 WeakPolarHBondContact O-CB 3.42Å; T332-A336 PolarHBondContact O-N 3.05Å
333S50.9Low64Low84 Ų8463 Ų6359%0.58732%0.317SS*.Hα-helixtrans-64.2-39.9177.360.80000111.6D331 H335 S337D331-S333 PolarHBondContact O-N 3.5Å; S333-H335 PolarHBondContact O-N 3.04Å; S333-S337 VanDerWaalsContact O-CB 3.26Å; S333-S337 WeakPolarHBondContact O-CB 3.46Å; S333-S337 PolarHBondContact O-N 3.03Å; S333-S337 PolarHBondContact O-OG 3.19Å
334E55.1Low62.6Low120 Ų12066.6 Ų66.656%0.56135%0.347SS*.Hα-helixtrans-64.1-41.5176.4-63.4-173.7166.800111.3T332 S337 S338T332-E334 VanDerWaalsContact C-N 3.34Å; E334-S337 WeakPolarHBondContact CA-OG 3.29Å; E334-S337 PolarHBondContact O-N 2.87Å; E334-S337 PolarHBondContact O-OG 3.23Å; E334-S338 PolarHBondContact O-N 3.36Å
335H53.3Low61.3Low27 Ų2776.3 Ų76.313%0.12538%0.383CS..Hα-helixtrans-77.4-33.7-177.8-63.3-54000113V289 I294 D331 T332 S333 S337 S338V289-H335 HydrophobicContact CG1-CB 4.07Å; V289-H335 VanDerWaalsContact CG1-ND1 3.35Å; V289-H335 WeakPolarHBondContact CG1-ND1 3.45Å; I294-H335 HydrophobicContact CD1-CB 4.16Å; D331-H335 PolarHBondContact O-CD2 3.36Å; D331-H335 VanDerWaalsContact O-CD2 3.25Å; T332-H335 PolarHBondContact O-N 3.12Å; S333-H335 PolarHBondContact O-N 3.04Å; H335-S337 VanDerWaalsContact C-N 3.32Å; H335-S338 WeakPolarHBondContact O-CB 2.91Å; H335-S338 PolarHBondContact O-N 2.88Å; H335-S338 PolarHBondContact O-OG 3.02Å
336A53.7Low60.5Low44 Ų4469.9 Ų69.936%0.36436%0.363SS..Hα-helixtrans-64.5-40.1167.300000111T332 S338 L339T332-A336 WeakPolarHBondContact O-CB 3.42Å; T332-A336 PolarHBondContact O-N 3.05Å; A336-S338 PolarHBondContact O-N 3.42Å; A336-L339 PolarHBondContact O-N 3.15Å
337S52.7Low60.2Low47 Ų4776.4 Ų76.433%0.32940%0.395SS..Hα-helixtrans-65.4-18.4175.181.10000113.4S333 E334 H335 L339 D340 T341S333-S337 VanDerWaalsContact O-CB 3.26Å; S333-S337 WeakPolarHBondContact O-CB 3.46Å; S333-S337 PolarHBondContact O-N 3.03Å; S333-S337 PolarHBondContact O-OG 3.19Å; E334-S337 WeakPolarHBondContact CA-OG 3.29Å; E334-S337 PolarHBondContact O-N 2.87Å; E334-S337 PolarHBondContact O-OG 3.23Å; H335-S337 VanDerWaalsContact C-N 3.32Å; S337-L339 VanDerWaalsContact C-N 3.3Å; S337-L339 PolarHBondContact O-N 3.25Å; S337-D340 CarbonylContact O-C 3.58Å; S337-D340 WeakPolarHBondContact O-CA 3.24Å; S337-D340 WeakPolarHBondContact O-CB 3.22Å; S337-D340 PolarHBondContact O-N 3.22Å; S337-T341 WeakPolarHBondContact O-CG2 3.38Å; S337-T341 PolarHBondContact O-N 3.3Å; S337-T341 PolarHBondContact O-OG1 2.86Å
338S56.4Low60.1Low24 Ų2478.1 Ų78.117%0.16841%0.408CS..Hα-helixtrans-64.8-34.7178.175.10000112.5E334 H335 A336 T341 L342E334-S338 PolarHBondContact O-N 3.36Å; H335-S338 WeakPolarHBondContact O-CB 2.91Å; H335-S338 PolarHBondContact O-N 2.88Å; H335-S338 PolarHBondContact O-OG 3.02Å; A336-S338 PolarHBondContact O-N 3.42Å; S338-T341 WeakPolarHBondContact CA-OG1 3.46Å; S338-T341 PolarHBondContact O-N 3.34Å; S338-T341 PolarHBondContact O-OG1 3.45Å; S338-L342 PolarHBondContact O-N 3.23Å
339L63.4Low60.4Low10 Ų1082.3 Ų82.35%0.05243%0.428CS..Hα-helixtrans-61.9-46.1169-85.7153.5000110.3I294 A298 I317 L321 A336 S337 T341 L342 Y343 L358I294-L339 HydrophobicContact CG2-CD1 4.32Å; I294-L339 HydrophobicContact CG2-CG 4.31Å; A298-L339 HydrophobicContact CB-CD2 3.98Å; I317-L339 HydrophobicContact CG2-CD1 4.36Å; L321-L339 HydrophobicContact CD1-CD1 3.73Å; A336-L339 PolarHBondContact O-N 3.15Å; S337-L339 VanDerWaalsContact C-N 3.3Å; S337-L339 PolarHBondContact O-N 3.25Å; L339-T341 VanDerWaalsContact C-N 3.33Å; L339-T341 PolarHBondContact O-N 3.27Å; L339-L342 WeakPolarHBondContact O-CB 3.33Å; L339-L342 PolarHBondContact O-N 2.87Å; L339-Y343 HydrophobicContact CB-CE2 4.11Å; L339-Y343 WeakPolarHBondContact CB-OH 3.4Å; L339-Y343 VanDerWaalsContact CD2-OH 3.31Å; L339-Y343 WeakPolarHBondContact CD2-OH 3.49Å; L339-Y343 WeakPolarHBondContact O-CD1 3.23Å; L339-Y343 VanDerWaalsContact O-CD2 3.23Å; L339-Y343 WeakPolarHBondContact O-CD2 2.87Å; L339-Y343 VanDerWaalsContact O-CE1 3.31Å; L339-Y343 WeakPolarHBondContact O-CE1 3.46Å; L339-Y343 VanDerWaalsContact O-CE2 3.23Å; L339-Y343 WeakPolarHBondContact O-CE2 3.37Å; L339-Y343 VanDerWaalsContact O-CZ 3.3Å; L339-Y343 PolarHBondContact O-N 3.45Å; L339-L358 HydrophobicContact CD2-CD2 4.14Å
340D61.1Low61.3Low86 Ų8681.7 Ų81.746%0.4643%0.426SS..Hα-helixtrans-61.4-36.8177-62.3-30.9000114S337 Y343 C344S337-D340 CarbonylContact O-C 3.58Å; S337-D340 WeakPolarHBondContact O-CA 3.24Å; S337-D340 WeakPolarHBondContact O-CB 3.22Å; S337-D340 PolarHBondContact O-N 3.22Å; D340-Y343 HydrophobicContact CB-CD2 4.3Å; D340-Y343 WeakPolarHBondContact O-CB 3.08Å; D340-Y343 PolarHBondContact O-N 2.97Å; D340-Y343 VanDerWaalsContact OD1-CE2 3.3Å; D340-Y343 WeakPolarHBondContact OD1-CE2 3.36Å; D340-C344 PolarHBondContact O-N 3.36Å; D340-C344 PolarHBondContact O-SG 3.05Å; D340-C344 VanDerWaalsContact O-SG 3.38Å
341T57.1Low62.5Low66 Ų6678.4 Ų78.441%0.40541%0.405SS..Hα-helixtrans-74.2-26.4178.460.20000113.7S337 S338 L339 Y343S337-T341 WeakPolarHBondContact O-CG2 3.38Å; S337-T341 PolarHBondContact O-N 3.3Å; S337-T341 PolarHBondContact O-OG1 2.86Å; S338-T341 WeakPolarHBondContact CA-OG1 3.46Å; S338-T341 PolarHBondContact O-N 3.34Å; S338-T341 PolarHBondContact O-OG1 3.45Å; L339-T341 VanDerWaalsContact C-N 3.33Å; L339-T341 PolarHBondContact O-N 3.27Å; T341-Y343 VanDerWaalsContact C-N 3.3Å
342L57.9Low63.9Low35 Ų3581 Ų8118%0.18341%0.411CS..Hα-helixtrans-67.2-35.1169.1-81167.2000110.8K295 A298 E299 S338 L339K295-L342 HydrophobicContact CB-CD1 4.49Å; K295-L342 HydrophobicContact CG-CD1 3.97Å; K295-L342 HydrophobicContact CG-CD2 3.96Å; K295-L342 HydrophobicContact CG-CG 4.19Å; A298-L342 HydrophobicContact CB-CD1 3.6Å; E299-L342 HydrophobicContact CG-CD2 4.3Å; S338-L342 PolarHBondContact O-N 3.23Å; L339-L342 WeakPolarHBondContact O-CB 3.33Å; L339-L342 PolarHBondContact O-N 2.87Å
343Y60.6Low65.5Low32 Ų3284.6 Ų84.613%0.12543%0.429CS..Hα-helixtrans-67.2-40.9-177.8-52.6-30000113.2L339 D340 T341 R345 A355 S359L339-Y343 HydrophobicContact CB-CE2 4.11Å; L339-Y343 WeakPolarHBondContact CB-OH 3.4Å; L339-Y343 VanDerWaalsContact CD2-OH 3.31Å; L339-Y343 WeakPolarHBondContact CD2-OH 3.49Å; L339-Y343 WeakPolarHBondContact O-CD1 3.23Å; L339-Y343 VanDerWaalsContact O-CD2 3.23Å; L339-Y343 WeakPolarHBondContact O-CD2 2.87Å; L339-Y343 VanDerWaalsContact O-CE1 3.31Å; L339-Y343 WeakPolarHBondContact O-CE1 3.46Å; L339-Y343 VanDerWaalsContact O-CE2 3.23Å; L339-Y343 WeakPolarHBondContact O-CE2 3.37Å; L339-Y343 VanDerWaalsContact O-CZ 3.3Å; L339-Y343 PolarHBondContact O-N 3.45Å; D340-Y343 HydrophobicContact CB-CD2 4.3Å; D340-Y343 WeakPolarHBondContact O-CB 3.08Å; D340-Y343 PolarHBondContact O-N 2.97Å; D340-Y343 VanDerWaalsContact OD1-CE2 3.3Å; D340-Y343 WeakPolarHBondContact OD1-CE2 3.36Å; T341-Y343 VanDerWaalsContact C-N 3.3Å; Y343-R345 PolarHBondContact O-N 2.73Å; Y343-A355 HydrophobicContact CD1-CB 3.15Å; Y343-A355 HydrophobicContact CE1-CB 3.42Å; Y343-A355 VanDerWaalsContact CE1-CB 3.42Å; Y343-A355 VanDerWaalsContact CE1-O 3.31Å; Y343-A355 WeakPolarHBondContact CE1-O 3.37Å; Y343-A355 HydrophobicContact CG-CB 4.25Å; Y343-S359 WeakPolarHBondContact OH-CB 3.01Å
344C56.7Low67.2Low113 Ų11383.3 Ų83.376%0.76441%0.414SS*.THydrogen-bonded Turntrans-83.2-10.3-169.5-62.30000114.5D340D340-C344 PolarHBondContact O-N 3.36Å; D340-C344 PolarHBondContact O-SG 3.05Å; D340-C344 VanDerWaalsContact O-SG 3.38Å
345R59.7Low68.7Low206 Ų20677.7 Ų77.778%0.77739%0.388SS*.THydrogen-bonded Turntrans-101.9-11.6-171.4-72.2-176.5178.5175.62.6114.8Y343Y343-R345 PolarHBondContact O-N 2.73Å
346S65.1Low70.2Confident35 Ų3580.1 Ų80.125%0.24541%0.405CS..  trans-88.9122.1-178.6-167.10000111.2D348 V351 R352S346-D348 PolarHBondContact O-N 2.69Å; S346-V351 WeakPolarHBondContact OG-CB 3.46Å; S346-R352 WeakPolarHBondContact O-CD 3.48Å; S346-R352 PolarHBondContact O-NE 2.99Å
347E72.5Confident71.9Confident190 Ų19081.1 Ų81.189%0.88840%0.402SS*.  trans-67.1-28.4173.8-63.2-173.7166.900111.6E349E347-E349 PolarHBondContact O-N 3.05Å
348D80.8Confident73.7Confident82 Ų8279.2 Ų79.244%0.43939%0.389SS..  trans-73120.2-177.8-165.5-17.9000111.8S346 R350 V351 R352S346-D348 PolarHBondContact O-N 2.69Å; D348-R350 VanDerWaalsContact C-N 3.25Å; D348-R350 PolarHBondContact O-N 3.26Å; D348-R350 WeakPolarHBondContact OD1-CB 3.46Å; D348-R350 PolarHBondContact OD1-N 3.36Å; D348-V351 HydrophobicContact CB-CB 4.3Å; D348-V351 HydrophobicContact CB-CG2 3.98Å; D348-V351 PolarHBondContact O-N 3.4Å; D348-R352 PolarHBondContact O-N 2.67Å; D348-R352 VanDerWaalsContact O-N 3.1Å
349E83.7Confident75.2Confident124 Ų12479.5 Ų79.558%0.57939%0.39SS*.Hα-helixtrans-60.8-33.6177.5-166.7-177.9170.200112.1E347 R352 N353E347-E349 PolarHBondContact O-N 3.05Å; E349-R352 PolarHBondContact O-N 3.34Å; E349-N353 WeakPolarHBondContact O-CB 3.06Å; E349-N353 VanDerWaalsContact O-CG 3.27Å; E349-N353 PolarHBondContact O-N 3.25Å; E349-N353 PolarHBondContact O-ND2 3.47Å
350R83.9Confident76.4Confident196 Ų19683.4 Ų83.474%0.7441%0.411SS*.Hα-helixtrans-64.2-46.7178.2-69.7-176.6174.7-173.3-0.5111.4D348 R352 N353 Q354D348-R350 VanDerWaalsContact C-N 3.25Å; D348-R350 PolarHBondContact O-N 3.26Å; D348-R350 WeakPolarHBondContact OD1-CB 3.46Å; D348-R350 PolarHBondContact OD1-N 3.36Å; R350-R352 VanDerWaalsContact C-N 3.32Å; R350-R352 PolarHBondContact O-N 2.76Å; R350-N353 PolarHBondContact O-N 3.11Å; R350-Q354 WeakPolarHBondContact O-CG 3.31Å; R350-Q354 PolarHBondContact O-N 2.7Å
351V82.3Confident77.9Confident46 Ų4680.5 Ų80.528%0.27939%0.394SS..Hα-helixtrans-63.8-41.9178.4178.90000109.8S346 D348 N353 Q354 A355S346-V351 WeakPolarHBondContact OG-CB 3.46Å; D348-V351 HydrophobicContact CB-CB 4.3Å; D348-V351 HydrophobicContact CB-CG2 3.98Å; D348-V351 PolarHBondContact O-N 3.4Å; V351-N353 PolarHBondContact O-N 2.73Å; V351-Q354 PolarHBondContact O-N 3.11Å; V351-A355 VanDerWaalsContact O-CB 3.26Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 3.28Å
352R83Confident79.6Confident112 Ų11277.6 Ų77.642%0.42338%0.376SS..Hα-helixtrans-59-46.2174.2-77.6-174.5-73.4145.3-1.5112.4S346 D348 E349 R350 A355 V356S346-R352 WeakPolarHBondContact O-CD 3.48Å; S346-R352 PolarHBondContact O-NE 2.99Å; D348-R352 PolarHBondContact O-N 2.67Å; D348-R352 VanDerWaalsContact O-N 3.1Å; E349-R352 PolarHBondContact O-N 3.34Å; R350-R352 VanDerWaalsContact C-N 3.32Å; R350-R352 PolarHBondContact O-N 2.76Å; R352-A355 PolarHBondContact O-N 2.97Å; R352-A355 VanDerWaalsContact O-N 3.17Å; R352-V356 WeakPolarHBondContact O-CG2 3.42Å; R352-V356 PolarHBondContact O-N 3.25Å
353N85.8Confident81Confident98 Ų9879.5 Ų79.552%0.52439%0.386SS..Hα-helixtrans-64.6-42.5178.7-71.6-21.6000112.4E349 R350 V351 A355 V356 M357E349-N353 WeakPolarHBondContact O-CB 3.06Å; E349-N353 VanDerWaalsContact O-CG 3.27Å; E349-N353 PolarHBondContact O-N 3.25Å; E349-N353 PolarHBondContact O-ND2 3.47Å; R350-N353 PolarHBondContact O-N 3.11Å; V351-N353 PolarHBondContact O-N 2.73Å; N353-A355 PolarHBondContact O-N 3.15Å; N353-V356 PolarHBondContact O-N 3.08Å; N353-M357 PolarHBondContact O-N 3.39Å
354Q87.2Confident82.6Confident57 Ų5780.6 Ų80.627%0.26640%0.399SS..Hα-helixtrans-61.9-34.4173.8-73.8173.8-33.500111.7L302 R350 V351 M357 L358L302-Q354 VanDerWaalsContact CD2-C 3.49Å; L302-Q354 HydrophobicContact CD2-CB 3.99Å; L302-Q354 WeakPolarHBondContact CD2-O 3.42Å; L302-Q354 VanDerWaalsContact O-CD 3.31Å; L302-Q354 PolarHBondContact O-NE2 2.83Å; L302-Q354 PolarHBondContact O-OE1 3.19Å; L302-Q354 VanDerWaalsContact O-OE1 3.1Å; R350-Q354 WeakPolarHBondContact O-CG 3.31Å; R350-Q354 PolarHBondContact O-N 2.7Å; V351-Q354 PolarHBondContact O-N 3.11Å; Q354-M357 WeakPolarHBondContact O-CB 3.5Å; Q354-M357 PolarHBondContact O-N 2.97Å; Q354-L358 PolarHBondContact O-N 3.31Å
355A85Confident84.3Confident1 Ų175.2 Ų75.21%0.00836%0.363CS..Hα-helixtrans-76.3-37.2-178.600000113.2L302 Y343 V351 R352 N353 M357 L358 S359L302-A355 HydrophobicContact CD1-CB 4.22Å; L302-A355 HydrophobicContact CD2-CB 3.69Å; Y343-A355 HydrophobicContact CD1-CB 3.15Å; Y343-A355 HydrophobicContact CE1-CB 3.42Å; Y343-A355 VanDerWaalsContact CE1-CB 3.42Å; Y343-A355 VanDerWaalsContact CE1-O 3.31Å; Y343-A355 WeakPolarHBondContact CE1-O 3.37Å; Y343-A355 HydrophobicContact CG-CB 4.25Å; V351-A355 VanDerWaalsContact O-CB 3.26Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 3.28Å; R352-A355 PolarHBondContact O-N 2.97Å; R352-A355 VanDerWaalsContact O-N 3.17Å; N353-A355 PolarHBondContact O-N 3.15Å; A355-M357 VanDerWaalsContact C-N 3.3Å; A355-M357 PolarHBondContact O-N 2.75Å; A355-L358 PolarHBondContact O-N 2.69Å; A355-S359 PolarHBondContact O-N 3.45Å
356V85.9Confident85.6Confident79 Ų7970.4 Ų70.448%0.47935%0.345SS..Hα-helixtrans-59.8-42.3166.4173.40000110.9R352 N353 L358 S359 N360R352-V356 WeakPolarHBondContact O-CG2 3.42Å; R352-V356 PolarHBondContact O-N 3.25Å; N353-V356 PolarHBondContact O-N 3.08Å; V356-L358 PolarHBondContact O-N 2.83Å; V356-S359 PolarHBondContact O-N 3.47Å; V356-N360 WeakPolarHBondContact O-CB 3.31Å; V356-N360 VanDerWaalsContact O-CG 3.3Å; V356-N360 PolarHBondContact O-N 3.31Å; V356-N360 PolarHBondContact O-ND2 3.26Å
357M88.6Confident86.7Confident64 Ų6470.8 Ų70.832%0.31535%0.35SS..Hα-helixtrans-59.5-47.3175.1-176.2-143.1-67.800111.4P305 N353 Q354 A355 S359 N360 R361P305-M357 HydrophobicContact CB-CE 4.26Å; P305-M357 HydrophobicContact CB-SD 3.72Å; P305-M357 HydrophobicContact CG-CE 3.82Å; P305-M357 HydrophobicContact CG-SD 3.98Å; N353-M357 PolarHBondContact O-N 3.39Å; Q354-M357 WeakPolarHBondContact O-CB 3.5Å; Q354-M357 PolarHBondContact O-N 2.97Å; A355-M357 VanDerWaalsContact C-N 3.3Å; A355-M357 PolarHBondContact O-N 2.75Å; M357-S359 VanDerWaalsContact C-N 3.34Å; M357-S359 PolarHBondContact O-N 3.18Å; M357-N360 PolarHBondContact O-N 3.01Å; M357-R361 HydrophobicContact CG-CG 4.46Å; M357-R361 WeakPolarHBondContact O-CB 3.32Å; M357-R361 VanDerWaalsContact O-CG 3.29Å; M357-R361 WeakPolarHBondContact O-CG 3.05Å; M357-R361 PolarHBondContact O-N 3.43Å
358L90.5Very high87.4Confident8 Ų862 Ų624%0.04231%0.309CS..Hα-helixtrans-59.1-44.7177.9-179.364.2000111.6A298 A301 L302 T314 L339 Q354 A355 V356 R361 V362A298-L358 HydrophobicContact CB-CD2 4.08Å; A301-L358 HydrophobicContact CB-CD1 3.97Å; A301-L358 HydrophobicContact CB-CD2 4.2Å; L302-L358 HydrophobicContact CD2-CB 4.1Å; L302-L358 HydrophobicContact CD2-CD2 4.04Å; L302-L358 HydrophobicContact CG-CD2 4.25Å; T314-L358 HydrophobicContact CG2-CD1 3.71Å; L339-L358 HydrophobicContact CD2-CD2 4.14Å; Q354-L358 PolarHBondContact O-N 3.31Å; A355-L358 PolarHBondContact O-N 2.69Å; V356-L358 PolarHBondContact O-N 2.83Å; L358-R361 WeakPolarHBondContact O-CB 3.44Å; L358-R361 PolarHBondContact O-N 2.96Å; L358-V362 WeakPolarHBondContact O-CG2 3.41Å; L358-V362 PolarHBondContact O-N 2.83Å
359S88Confident87.5Confident29 Ų2960.2 Ų60.220%0.20330%0.296CS..Hα-helixtrans-58.7-51.8176.7-165.70000111.6Y343 A355 V356 M357 R361 V362 D363Y343-S359 WeakPolarHBondContact OH-CB 3.01Å; A355-S359 PolarHBondContact O-N 3.45Å; V356-S359 PolarHBondContact O-N 3.47Å; M357-S359 VanDerWaalsContact C-N 3.34Å; M357-S359 PolarHBondContact O-N 3.18Å; S359-R361 PolarHBondContact O-N 3.11Å; S359-V362 PolarHBondContact O-N 3.42Å; S359-V362 VanDerWaalsContact O-N 3.1Å; S359-D363 PolarHBondContact O-N 3.35Å
360N89.5Confident87.1Confident93 Ų9361.2 Ų61.250%0.49730%0.301SS..Hα-helixtrans-59.1-36.4177.8-71.5-22.7000112.2V356 M357 S364V356-N360 WeakPolarHBondContact O-CB 3.31Å; V356-N360 VanDerWaalsContact O-CG 3.3Å; V356-N360 PolarHBondContact O-N 3.31Å; V356-N360 PolarHBondContact O-ND2 3.26Å; M357-N360 PolarHBondContact O-N 3.01Å; N360-S364 VanDerWaalsContact O-CB 3.28Å; N360-S364 WeakPolarHBondContact O-CB 3.44Å; N360-S364 PolarHBondContact O-N 2.73Å; N360-S364 PolarHBondContact O-OG 3.23Å
361R93.1Very high86.8Confident25 Ų2558 Ų589%0.09429%0.294CS..Hα-helixtrans-66-46.1175.8-79.1-173.2176.1-176.31.8111.5W234 P305 D306 T314 M357 L358 S359 S364 L365W234-R361 HydrophobicContact CD2-CG 4.04Å; W234-R361 HydrophobicContact CE3-CG 4.18Å; W234-R361 HydrophobicContact CH2-CB 3.35Å; W234-R361 HydrophobicContact CH2-CG 3.65Å; W234-R361 WeakPolarHBondContact CH2-O 3.42Å; W234-R361 HydrophobicContact CZ2-CB 3.57Å; W234-R361 HydrophobicContact CZ2-CG 3.49Å; W234-R361 VanDerWaalsContact CZ2-CG 3.49Å; W234-R361 HydrophobicContact CZ3-CB 3.94Å; W234-R361 HydrophobicContact CZ3-CG 4Å; P305-R361 PolarHBondContact O-NH1 3.42Å; D306-R361 IonicContact OD1-CZ 2.72Å; D306-R361 IonicContact OD1-NH1 2.99Å; D306-R361 IonicContact OD1-NH2 3.45Å; D306-R361 PolarHBondContact OD1-NH2 3.2Å; T314-R361 HydrophobicContact CG2-CB 4.05Å; M357-R361 HydrophobicContact CG-CG 4.46Å; M357-R361 WeakPolarHBondContact O-CB 3.32Å; M357-R361 VanDerWaalsContact O-CG 3.29Å; M357-R361 WeakPolarHBondContact O-CG 3.05Å; M357-R361 PolarHBondContact O-N 3.43Å; L358-R361 WeakPolarHBondContact O-CB 3.44Å; L358-R361 PolarHBondContact O-N 2.96Å; S359-R361 PolarHBondContact O-N 3.11Å; R361-S364 PolarHBondContact O-N 3.09Å; R361-L365 WeakPolarHBondContact O-CG 3.25Å; R361-L365 PolarHBondContact O-N 3.35Å
362V91Very high86.3Confident5 Ų559.4 Ų59.43%0.0330%0.295CS..Hα-helixtrans-62.1-43.4176171.50000111.1T314 I317 E318 L321 L358 S359 L365 R366T314-V362 HydrophobicContact CG2-CG2 4.35Å; I317-V362 HydrophobicContact CG2-CG2 4.17Å; E318-V362 HydrophobicContact CB-CG1 4.24Å; E318-V362 HydrophobicContact CG-CG1 4.35Å; L321-V362 HydrophobicContact CD1-CG1 3.96Å; L358-V362 WeakPolarHBondContact O-CG2 3.41Å; L358-V362 PolarHBondContact O-N 2.83Å; S359-V362 PolarHBondContact O-N 3.42Å; S359-V362 VanDerWaalsContact O-N 3.1Å; V362-L365 PolarHBondContact O-N 2.82Å; V362-R366 PolarHBondContact O-N 3.06Å
363D89Confident85.7Confident74 Ų7457.7 Ų57.740%0.39629%0.293SS..Hα-helixtrans-66.2-38.3176.5-79-25.6000112.5S359 L365 R366 A367S359-D363 PolarHBondContact O-N 3.35Å; D363-L365 VanDerWaalsContact C-N 3.33Å; D363-L365 PolarHBondContact O-N 2.77Å; D363-R366 WeakPolarHBondContact O-CB 3.37Å; D363-R366 PolarHBondContact O-N 3.31Å; D363-R366 IonicContact OD1-CZ 2.82Å; D363-R366 IonicContact OD1-NH1 3.24Å; D363-R366 PolarHBondContact OD1-NH1 3.28Å; D363-R366 VanDerWaalsContact OD1-NH1 3.14Å; D363-A367 WeakPolarHBondContact O-CB 3.28Å; D363-A367 PolarHBondContact O-N 3.21Å
364S92.3Very high85.2Confident56 Ų5653.9 Ų53.939%0.39227%0.273SS..Hα-helixtrans-62.4-40.2173.8-61.70000111.7N360 R361 A367 A368N360-S364 VanDerWaalsContact O-CB 3.28Å; N360-S364 WeakPolarHBondContact O-CB 3.44Å; N360-S364 PolarHBondContact O-N 2.73Å; N360-S364 PolarHBondContact O-OG 3.23Å; R361-S364 PolarHBondContact O-N 3.09Å; S364-A367 PolarHBondContact O-N 3.41Å; S364-A368 VanDerWaalsContact O-CB 3.31Å; S364-A368 WeakPolarHBondContact O-CB 3.47Å; S364-A368 PolarHBondContact O-N 3.02Å
365L92.8Very high84.7Confident0 Ų054.3 Ų54.30%027%0.274CS..Hα-helixtrans-67.2-41.1175.3-72.8169.6000112W234 V237 L238 R241 T314 L315 E318 R361 V362 D363 A367 A368 R369W234-L365 HydrophobicContact CH2-CD1 3.64Å; W234-L365 HydrophobicContact CH2-CD2 4.04Å; W234-L365 HydrophobicContact CH2-CG 3.59Å; W234-L365 HydrophobicContact CZ2-CG 4.32Å; W234-L365 HydrophobicContact CZ3-CD1 4.08Å; W234-L365 HydrophobicContact CZ3-CG 4.39Å; V237-L365 HydrophobicContact CG1-CD2 3.94Å; L238-L365 HydrophobicContact CD2-CD2 4.15Å; R241-L365 HydrophobicContact CB-CD2 3.8Å; R241-L365 HydrophobicContact CG-CD2 4.01Å; T314-L365 HydrophobicContact CG2-CD1 4.29Å; L315-L365 HydrophobicContact CD1-CD1 4.02Å; L315-L365 HydrophobicContact CD1-CD2 3.84Å; E318-L365 HydrophobicContact CB-CB 4.18Å; E318-L365 HydrophobicContact CB-CD1 4.1Å; E318-L365 HydrophobicContact CG-CB 3.71Å; R361-L365 WeakPolarHBondContact O-CG 3.25Å; R361-L365 PolarHBondContact O-N 3.35Å; V362-L365 PolarHBondContact O-N 2.82Å; D363-L365 VanDerWaalsContact C-N 3.33Å; D363-L365 PolarHBondContact O-N 2.77Å; L365-A367 VanDerWaalsContact C-N 3.35Å; L365-A368 PolarHBondContact O-N 2.92Å; L365-R369 PolarHBondContact O-N 3.28Å
366R88.1Confident84.5Confident105 Ų10554.7 Ų54.740%0.39628%0.277SS..Hα-helixtrans-59.5-47.1173.6-174.2-175.4-68.1154-3.5110.3V362 D363 R369 H370V362-R366 PolarHBondContact O-N 3.06Å; D363-R366 WeakPolarHBondContact O-CB 3.37Å; D363-R366 PolarHBondContact O-N 3.31Å; D363-R366 IonicContact OD1-CZ 2.82Å; D363-R366 IonicContact OD1-NH1 3.24Å; D363-R366 PolarHBondContact OD1-NH1 3.28Å; D363-R366 VanDerWaalsContact OD1-NH1 3.14Å; R366-R369 WeakPolarHBondContact O-CB 3.4Å; R366-R369 PolarHBondContact O-N 3.15Å; R366-H370 PolarHBondContact O-N 2.94Å; R366-H370 PolarHBondContact O-ND1 3.48Å
367A87.1Confident84.3Confident43 Ų4351.3 Ų51.336%0.35526%0.256SS..Hα-helixtrans-61.2-45175.800000111.7D363 S364 L365 R369 H370 Q371D363-A367 WeakPolarHBondContact O-CB 3.28Å; D363-A367 PolarHBondContact O-N 3.21Å; S364-A367 PolarHBondContact O-N 3.41Å; L365-A367 VanDerWaalsContact C-N 3.35Å; A367-R369 VanDerWaalsContact C-N 3.31Å; A367-R369 PolarHBondContact O-N 3.49Å; A367-H370 PolarHBondContact O-N 3.08Å; A367-H370 VanDerWaalsContact O-N 3.12Å; A367-Q371 WeakPolarHBondContact O-CG 2.93Å; A367-Q371 PolarHBondContact O-N 2.85Å
368A87.8Confident84.1Confident4 Ų448.4 Ų48.43%0.03324%0.242CC..Hα-helixtrans-60.5-37.2177.800000112.9R241 L242 S364 L365 H370 Q371 R372R241-A368 HydrophobicContact CB-CB 4.29Å; R241-A368 HydrophobicContact CG-CB 3.95Å; L242-A368 HydrophobicContact CD2-CB 3.78Å; L242-A368 HydrophobicContact CG-CB 4.01Å; S364-A368 VanDerWaalsContact O-CB 3.31Å; S364-A368 WeakPolarHBondContact O-CB 3.47Å; S364-A368 PolarHBondContact O-N 3.02Å; L365-A368 PolarHBondContact O-N 2.92Å; A368-H370 VanDerWaalsContact C-N 3.3Å; A368-H370 PolarHBondContact O-N 2.95Å; A368-Q371 CarbonylContact O-C 3.46Å; A368-Q371 PolarHBondContact O-N 3.07Å; A368-R372 PolarHBondContact O-N 3.34Å; A368-R372 VanDerWaalsContact O-N 3.15Å
369R82.3Confident83.7Confident45 Ų4548.9 Ų48.917%0.1724%0.244CC..Hα-helixtrans-59.5-40.8174.7-176.1-174.8-63.7-101-6.2111.9R241 E318 D319 Y322 L365 R366 A367 Q371R241-R369 VanDerWaalsContact CZ-NH2 3.35Å; E318-R369 IonicContact OE1-CZ 3.3Å; E318-R369 VanDerWaalsContact OE1-CZ 3.29Å; E318-R369 IonicContact OE1-NE 2.66Å; E318-R369 PolarHBondContact OE1-NE 2.7Å; E318-R369 IonicContact OE1-NH2 2.66Å; E318-R369 PolarHBondContact OE1-NH2 3.35Å; E318-R369 IonicContact OE2-CZ 3.14Å; E318-R369 IonicContact OE2-NE 3Å; E318-R369 IonicContact OE2-NH2 3.05Å; E318-R369 PolarHBondContact OE2-NH2 3.35Å; D319-R369 IonicContact OD1-CZ 3.68Å; D319-R369 IonicContact OD1-NH1 3.84Å; D319-R369 PolarHBondContact OD1-NH1 2.76Å; D319-R369 IonicContact OD1-NH2 3.92Å; D319-R369 PolarHBondContact OD1-NH2 3.49Å; D319-R369 IonicContact OD2-NH2 2.77Å; Y322-R369 VanDerWaalsContact CD1-NH1 3.26Å; L365-R369 PolarHBondContact O-N 3.28Å; R366-R369 WeakPolarHBondContact O-CB 3.4Å; R366-R369 PolarHBondContact O-N 3.15Å; A367-R369 VanDerWaalsContact C-N 3.31Å; A367-R369 PolarHBondContact O-N 3.49Å; R369-Q371 VanDerWaalsContact C-N 3.35Å
370H76.5Confident83.4Confident145 Ų14548.5 Ų48.567%0.67124%0.239SC*.Hα-helixtrans-76.7-24.1178.4-64.987.8000112.7R366 A367 A368R366-H370 PolarHBondContact O-N 2.94Å; R366-H370 PolarHBondContact O-ND1 3.48Å; A367-H370 PolarHBondContact O-N 3.08Å; A367-H370 VanDerWaalsContact O-N 3.12Å; A368-H370 VanDerWaalsContact C-N 3.3Å; A368-H370 PolarHBondContact O-N 2.95Å
371Q77.3Confident83Confident129 Ų12944.2 Ų44.260%0.60322%0.216SC*.THydrogen-bonded Turntrans-939.2178.9-67.2177.29.700113.5L242 A367 A368 R369 I373L242-Q371 HydrophobicContact CD2-CB 4.35Å; A367-Q371 WeakPolarHBondContact O-CG 2.93Å; A367-Q371 PolarHBondContact O-N 2.85Å; A368-Q371 CarbonylContact O-C 3.46Å; A368-Q371 PolarHBondContact O-N 3.07Å; R369-Q371 VanDerWaalsContact C-N 3.35Å; Q371-I373 VanDerWaalsContact O-CG1 3.25Å; Q371-I373 WeakPolarHBondContact O-CG1 3.13Å; Q371-I373 PolarHBondContact O-N 3.38Å; Q371-I373 VanDerWaalsContact O-N 3.11Å
372R72Confident82.5Confident76 Ų7643.4 Ų43.429%0.28721%0.213SC..PPolyproline II helixtrans-59.8118.3-175.8-145.1170.2-168-1755.2110R241 L242 L264 A368R241-R372 WeakPolarHBondContact O-CD 3.18Å; R241-R372 PolarHBondContact O-NE 3.44Å; L242-R372 WeakPolarHBondContact O-CG 2.98Å; L264-R372 HydrophobicContact CD2-CG 4.17Å; A368-R372 PolarHBondContact O-N 3.34Å; A368-R372 VanDerWaalsContact O-N 3.15Å
373I69.7Low81.9Confident75 Ų7545.7 Ų45.739%0.38522%0.223SC..PPolyproline II helixtrans-92.3124.8-174.5-47.6-179.8000107.7Q371 R476Q371-I373 VanDerWaalsContact O-CG1 3.25Å; Q371-I373 WeakPolarHBondContact O-CG1 3.13Å; Q371-I373 PolarHBondContact O-N 3.38Å; Q371-I373 VanDerWaalsContact O-N 3.11Å; I373-R476 VanDerWaalsContact CG2-NH2 3.26Å
374P75.6Confident81.3Confident18 Ų1843.3 Ų43.312%0.11721%0.211CC..PPolyproline II helixtrans-51.7144.7173.4-23.832.1000110.4D261 I265 F379 E380 R476D261-P374 HydrophobicContact CB-CB 4.23Å; I265-P374 HydrophobicContact CD1-CG 4.31Å; P374-F379 HydrophobicContact CB-CB 4.41Å; P374-F379 HydrophobicContact CB-CD1 3.68Å; P374-F379 HydrophobicContact CB-CG 4.42Å; P374-F379 HydrophobicContact CG-CD1 3.77Å; P374-F379 HydrophobicContact CG-CE1 4.24Å; P374-E380 HydrophobicContact CB-CB 4.46Å; P374-E380 HydrophobicContact CG-CB 4.37Å; P374-R476 PolarHBondContact O-NH1 3.01Å; P374-R476 PolarHBondContact O-NH2 3.43Å
375K77.5Confident80.5Confident66 Ų6644.2 Ų44.229%0.28721%0.208SC..SBendtrans-75.8-41.1179.8-63.9-157.4-173.3-142.80112.2G243 S246 H251 D261G243-K375 WeakPolarHBondContact O-CE 3.28Å; G243-K375 PolarHBondContact O-NZ 3.14Å; S246-K375 VanDerWaalsContact OG-CE 3.32Å; S246-K375 WeakPolarHBondContact OG-CE 3.32Å; S246-K375 PolarHBondContact OG-NZ 2.91Å; H251-K375 HydrophobicContact CB-CB 4.47Å; H251-K375 HydrophobicContact CB-CD 4.21Å; D261-K375 VanDerWaalsContact CG-N 3.31Å; D261-K375 PolarHBondContact OD1-N 2.88Å; D261-K375 PolarHBondContact OD2-N 2.8Å; D261-K375 VanDerWaalsContact OD2-N 3.16Å
376S79.3Confident79.5Confident9 Ų949.1 Ų49.16%0.06323%0.227CC..  trans-76124.9177.3-1760000110.7D261 V378 F379 E380D261-S376 WeakPolarHBondContact OD2-CA 3.43Å; D261-S376 WeakPolarHBondContact OD2-CB 3.42Å; D261-S376 PolarHBondContact OD2-N 2.74Å; S376-V378 PolarHBondContact O-N 3.16Å; S376-V378 WeakPolarHBondContact OG-CB 2.92Å; S376-V378 PolarHBondContact OG-N 2.95Å; S376-F379 PolarHBondContact O-N 3.15Å; S376-E380 PolarHBondContact O-N 2.87Å; S376-E380 VanDerWaalsContact O-N 3.14Å
377L83.4Confident78.5Confident8 Ų847.6 Ų47.64%0.04223%0.227CC..Hα-helixtrans-62.3-36171.2-177.662.3000111F379 E380 L381 S479 R480L377-F379 VanDerWaalsContact C-N 3.33Å; L377-F379 PolarHBondContact O-N 3.17Å; L377-E380 WeakPolarHBondContact O-CB 3.32Å; L377-E380 PolarHBondContact O-N 2.64Å; L377-L381 HydrophobicContact CD1-CG 4.37Å; L377-L381 HydrophobicContact CG-CD1 4.29Å; L377-L381 HydrophobicContact CG-CG 4.29Å; L377-L381 VanDerWaalsContact O-CG 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.27Å; L377-L381 PolarHBondContact O-N 3.44Å; L377-S479 VanDerWaalsContact CD2-CB 3.46Å; L377-R480 HydrophobicContact CD1-CG 3.87Å
378V82.9Confident77.1Confident4 Ų452.8 Ų52.82%0.02425%0.249CC..Hα-helixtrans-57.2-48.1176.5-177.50000110.6F257 V258 S376 L381 L382 L541 V576F257-V378 HydrophobicContact CE1-CG2 4.33Å; F257-V378 HydrophobicContact CZ-CG2 4.1Å; V258-V378 HydrophobicContact CG2-CB 4.04Å; V258-V378 HydrophobicContact CG2-CG1 4Å; S376-V378 PolarHBondContact O-N 3.16Å; S376-V378 WeakPolarHBondContact OG-CB 2.92Å; S376-V378 PolarHBondContact OG-N 2.95Å; V378-L381 PolarHBondContact O-N 3.42Å; V378-L382 HydrophobicContact CG1-CD1 4.13Å; V378-L382 WeakPolarHBondContact O-CG 3.19Å; V378-L382 PolarHBondContact O-N 3.13Å; V378-L541 HydrophobicContact CB-CD2 4.33Å; V378-L541 HydrophobicContact CG1-CD2 3.5Å; V378-V576 HydrophobicContact CG1-CB 4.4Å; V378-V576 HydrophobicContact CG1-CG1 3.88Å; V378-V576 HydrophobicContact CG1-CG2 3.89Å; V378-V576 HydrophobicContact CG2-CG2 4.38Å
379F82.2Confident75.1Confident18 Ų1861.2 Ų61.28%0.07928%0.28CS..Hα-helixtrans-62.3-45.7177.6-173.7-83000111.1V258 D261 A262 I265 P374 S376 L377 L381 L382 F383V258-F379 HydrophobicContact CG1-CB 3.97Å; V258-F379 HydrophobicContact CG1-CD2 3.75Å; V258-F379 HydrophobicContact CG1-CG 4.36Å; D261-F379 HydrophobicContact CB-CB 3.98Å; D261-F379 HydrophobicContact CB-CD1 3.99Å; D261-F379 HydrophobicContact CB-CD2 4.03Å; D261-F379 HydrophobicContact CB-CG 3.67Å; A262-F379 VanDerWaalsContact CA-CE2 3.44Å; A262-F379 HydrophobicContact CB-CD2 4.17Å; A262-F379 HydrophobicContact CB-CE2 3.59Å; A262-F379 HydrophobicContact CB-CZ 4.48Å; I265-F379 HydrophobicContact CB-CZ 4.46Å; I265-F379 HydrophobicContact CD1-CD1 4.08Å; I265-F379 HydrophobicContact CD1-CE1 3.13Å; I265-F379 HydrophobicContact CD1-CZ 3.59Å; I265-F379 HydrophobicContact CG1-CE1 4.46Å; P374-F379 HydrophobicContact CB-CB 4.41Å; P374-F379 HydrophobicContact CB-CD1 3.68Å; P374-F379 HydrophobicContact CB-CG 4.42Å; P374-F379 HydrophobicContact CG-CD1 3.77Å; P374-F379 HydrophobicContact CG-CE1 4.24Å; S376-F379 PolarHBondContact O-N 3.15Å; L377-F379 VanDerWaalsContact C-N 3.33Å; L377-F379 PolarHBondContact O-N 3.17Å; F379-L381 VanDerWaalsContact C-N 3.3Å; F379-L381 PolarHBondContact O-N 3.09Å; F379-L382 PolarHBondContact O-N 3.46Å; F379-F383 HydrophobicContact CD1-CB 4.18Å; F379-F383 HydrophobicContact CE1-CB 3.7Å; F379-F383 AromaticContact CE1-CD2 3.94Å; F379-F383 HydrophobicContact CE1-CD2 3.94Å; F379-F383 HydrophobicContact CE1-CG 4.05Å; F379-F383 HydrophobicContact CZ-CB 4.33Å; F379-F383 HydrophobicContact CZ-CD2 4.16Å; F379-F383 VanDerWaalsContact O-CB 3.28Å; F379-F383 WeakPolarHBondContact O-CB 3.31Å; F379-F383 PolarHBondContact O-N 2.93Å
380E82.7Confident73Confident20 Ų2060.5 Ų60.59%0.09329%0.287CS..Hα-helixtrans-56.2-45.6177.7-178.3-175.6173.500111.6P374 S376 L377 F383 N384 R476 R480P374-E380 HydrophobicContact CB-CB 4.46Å; P374-E380 HydrophobicContact CG-CB 4.37Å; S376-E380 PolarHBondContact O-N 2.87Å; S376-E380 VanDerWaalsContact O-N 3.14Å; L377-E380 WeakPolarHBondContact O-CB 3.32Å; L377-E380 PolarHBondContact O-N 2.64Å; E380-F383 PolarHBondContact O-N 3.34Å; E380-N384 WeakPolarHBondContact O-CB 3.39Å; E380-N384 PolarHBondContact O-N 2.64Å; E380-N384 PolarHBondContact O-ND2 3.38Å; E380-R476 IonicContact OE2-CZ 3.12Å; E380-R476 IonicContact OE2-NE 3.66Å; E380-R476 IonicContact OE2-NH2 3.08Å; E380-R476 PolarHBondContact OE2-NH2 3.11Å; E380-R480 IonicContact OE1-CZ 2.7Å; E380-R480 IonicContact OE1-NE 3.53Å; E380-R480 PolarHBondContact OE1-NE 2.72Å; E380-R480 VanDerWaalsContact OE1-NE 3.14Å; E380-R480 IonicContact OE1-NH2 3.32Å; E380-R480 PolarHBondContact OE1-NH2 2.71Å; E380-R480 IonicContact OE2-CZ 3.57Å; E380-R480 IonicContact OE2-NE 2.67Å; E380-R480 PolarHBondContact OE2-NE 2.81Å; E380-R480 IonicContact OE2-NH2 3.42Å; E380-R480 PolarHBondContact OE2-NH2 3.48Å
381L81.1Confident71.3Confident3 Ų355.1 Ų55.12%0.01626%0.263CS..Hα-helixtrans-62.4-46.3178.6-70.4-179.6000112.1L377 V378 F379 N384 H385 L391 S538 L541 F545L377-L381 HydrophobicContact CD1-CG 4.37Å; L377-L381 HydrophobicContact CG-CD1 4.29Å; L377-L381 HydrophobicContact CG-CG 4.29Å; L377-L381 VanDerWaalsContact O-CG 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.27Å; L377-L381 PolarHBondContact O-N 3.44Å; V378-L381 PolarHBondContact O-N 3.42Å; F379-L381 VanDerWaalsContact C-N 3.3Å; F379-L381 PolarHBondContact O-N 3.09Å; L381-N384 PolarHBondContact O-N 3.29Å; L381-H385 VanDerWaalsContact O-CB 3.31Å; L381-H385 WeakPolarHBondContact O-CB 3.31Å; L381-H385 PolarHBondContact O-N 3.35Å; L381-L391 HydrophobicContact CD2-CD1 3.47Å; L381-L391 VanDerWaalsContact CD2-CD1 3.47Å; L381-L391 HydrophobicContact CD2-CG 4Å; L381-S538 WeakPolarHBondContact CD1-O 3.42Å; L381-L541 HydrophobicContact CB-CD2 4.34Å; L381-F545 HydrophobicContact CB-CE2 4.13Å
382L82Confident69.5Low8 Ų852.1 Ų52.14%0.04225%0.254CS..Hα-helixtrans-61.3-50.8176.5-72165.2000111.4V378 F379 N384 H385 Y386 L541 F545 V579 V580V378-L382 HydrophobicContact CG1-CD1 4.13Å; V378-L382 WeakPolarHBondContact O-CG 3.19Å; V378-L382 PolarHBondContact O-N 3.13Å; F379-L382 PolarHBondContact O-N 3.46Å; L382-N384 VanDerWaalsContact C-N 3.28Å; L382-N384 PolarHBondContact O-N 3.2Å; L382-H385 PolarHBondContact O-N 3.14Å; L382-Y386 HydrophobicContact CD2-CE2 4.04Å; L382-Y386 WeakPolarHBondContact O-CD2 3.12Å; L382-Y386 PolarHBondContact O-N 3.2Å; L382-L541 HydrophobicContact CD2-CD1 4.3Å; L382-L541 HydrophobicContact CD2-CD2 4.38Å; L382-L541 HydrophobicContact CG-CD2 4.09Å; L382-F545 HydrophobicContact CD2-CE1 4.02Å; L382-F545 HydrophobicContact CD2-CZ 3.97Å; L382-F545 HydrophobicContact CG-CZ 4.48Å; L382-V579 HydrophobicContact CD1-CB 4.37Å; L382-V579 HydrophobicContact CD1-CG1 3.77Å; L382-V580 HydrophobicContact CD2-CG2 4.15Å
383F77.3Confident67.7Low53 Ų5352.4 Ų52.423%0.23227%0.268CS..Hα-helixtrans-58.9-42.4-178.8-178.6-92.2000111.8I265 W269 F379 E380 N387I265-F383 HydrophobicContact CD1-CD2 4.3Å; I265-F383 HydrophobicContact CD1-CE2 4.34Å; I265-F383 HydrophobicContact CG2-CD2 4.41Å; I265-F383 HydrophobicContact CG2-CE2 3.83Å; W269-F383 HydrophobicContact CZ2-CD2 4.07Å; W269-F383 AromaticContact CZ2-CE2 3.82Å; W269-F383 HydrophobicContact CZ2-CE2 3.82Å; F379-F383 HydrophobicContact CD1-CB 4.18Å; F379-F383 HydrophobicContact CE1-CB 3.7Å; F379-F383 AromaticContact CE1-CD2 3.94Å; F379-F383 HydrophobicContact CE1-CD2 3.94Å; F379-F383 HydrophobicContact CE1-CG 4.05Å; F379-F383 HydrophobicContact CZ-CB 4.33Å; F379-F383 HydrophobicContact CZ-CD2 4.16Å; F379-F383 VanDerWaalsContact O-CB 3.28Å; F379-F383 WeakPolarHBondContact O-CB 3.31Å; F379-F383 PolarHBondContact O-N 2.93Å; E380-F383 PolarHBondContact O-N 3.34Å; F383-N387 VanDerWaalsContact CD2-ND2 3.31Å; F383-N387 WeakPolarHBondContact CD2-ND2 3.01Å; F383-N387 WeakPolarHBondContact CE1-ND2 2.98Å; F383-N387 WeakPolarHBondContact CE2-ND2 3.37Å; F383-N387 WeakPolarHBondContact CZ-ND2 3.34Å; F383-N387 WeakPolarHBondContact O-CB 3.36Å; F383-N387 PolarHBondContact O-N 3.42Å; F383-N387 VanDerWaalsContact O-N 3.08Å; F383-N387 PolarHBondContact O-ND2 3.33Å
384N77.8Confident66.3Low25 Ų2554.6 Ų54.613%0.13428%0.275CS..Hα-helixtrans-66.5-44.2177.3-79.4-8.5000112E380 L381 L382 Y386 R389 G390E380-N384 WeakPolarHBondContact O-CB 3.39Å; E380-N384 PolarHBondContact O-N 2.64Å; E380-N384 PolarHBondContact O-ND2 3.38Å; L381-N384 PolarHBondContact O-N 3.29Å; L382-N384 VanDerWaalsContact C-N 3.28Å; L382-N384 PolarHBondContact O-N 3.2Å; N384-Y386 PolarHBondContact O-N 3.04Å; N384-R389 CarbonylContact C-O 3.6Å; N384-R389 VanDerWaalsContact C-O 3.23Å; N384-R389 WeakPolarHBondContact CA-O 3.13Å; N384-R389 WeakPolarHBondContact CB-O 3.45Å; N384-R389 CarbonylContact O-C 3.43Å; N384-R389 PolarHBondContact O-N 3.08Å; N384-R389 PolarHBondContact OD1-O 3.25Å; N384-G390 PolarHBondContact O-N 2.89Å
385H76Confident64.1Low75 Ų7557.3 Ų57.335%0.34731%0.306SS..Hα-helixtrans-58.8-48.5178.3-175.972.7000111.8L381 L382 F545L381-H385 VanDerWaalsContact O-CB 3.31Å; L381-H385 WeakPolarHBondContact O-CB 3.31Å; L381-H385 PolarHBondContact O-N 3.35Å; L382-H385 PolarHBondContact O-N 3.14Å; H385-F545 HydrophobicContact CB-CD1 4.41Å; H385-F545 HydrophobicContact CB-CD2 4.33Å; H385-F545 HydrophobicContact CB-CE1 4.19Å; H385-F545 HydrophobicContact CB-CE2 4.09Å; H385-F545 HydrophobicContact CB-CG 4.5Å; H385-F545 HydrophobicContact CB-CZ 4.02Å; H385-F545 AromaticContact CD2-CD1 3.68Å; H385-F545 AromaticContact CD2-CE1 3.9Å; H385-F545 AromaticContact CE1-CD1 3.84Å; H385-F545 AromaticContact CE1-CG 3.77Å; H385-F545 AromaticContact CG-CD1 3.73Å; H385-F545 AromaticContact CG-CE1 3.93Å; H385-F545 AromaticContact CG-CG 3.87Å; H385-F545 AromaticContact ND1-CD1 3.83Å; H385-F545 AromaticContact ND1-CD2 3.97Å; H385-F545 AromaticContact ND1-CG 3.57Å; H385-F545 AromaticContact NE2-CD1 3.75Å
386Y70.7Confident62.1Low102 Ų10258 Ų5840%0.431%0.312SS..Hα-helixtrans-80.4-29.3-174.8-71.6-67.9000114.8L382 N384 N388L382-Y386 HydrophobicContact CD2-CE2 4.04Å; L382-Y386 WeakPolarHBondContact O-CD2 3.12Å; L382-Y386 PolarHBondContact O-N 3.2Å; N384-Y386 PolarHBondContact O-N 3.04Å; Y386-N388 PolarHBondContact O-N 3.33Å
387N68.1Low59.8Low73 Ų7360.4 Ų60.439%0.3933%0.329SS..THydrogen-bonded Turntrans-8210.1177.8-77.3-46000114F383 R389F383-N387 VanDerWaalsContact CD2-ND2 3.31Å; F383-N387 WeakPolarHBondContact CD2-ND2 3.01Å; F383-N387 WeakPolarHBondContact CE1-ND2 2.98Å; F383-N387 WeakPolarHBondContact CE2-ND2 3.37Å; F383-N387 WeakPolarHBondContact CZ-ND2 3.34Å; F383-N387 WeakPolarHBondContact O-CB 3.36Å; F383-N387 PolarHBondContact O-N 3.42Å; F383-N387 VanDerWaalsContact O-N 3.08Å; F383-N387 PolarHBondContact O-ND2 3.33Å; N387-R389 PolarHBondContact O-N 3.23Å
388N56.8Low57.8Low152 Ų15266.4 Ų66.481%0.81337%0.372SS*.THydrogen-bonded Turntrans50.825.1-170.7-75.3-25.1000113.1Y386Y386-N388 PolarHBondContact O-N 3.33Å
389R45.2Very low55.7Low181 Ų18170.4 Ų70.468%0.68340%0.4SS*.  trans-108.472.4165.7-69-170.7-176.9-166.21.7105.4N384 N387N384-R389 CarbonylContact C-O 3.6Å; N384-R389 VanDerWaalsContact C-O 3.23Å; N384-R389 WeakPolarHBondContact CA-O 3.13Å; N384-R389 WeakPolarHBondContact CB-O 3.45Å; N384-R389 CarbonylContact O-C 3.43Å; N384-R389 PolarHBondContact O-N 3.08Å; N384-R389 PolarHBondContact OD1-O 3.25Å; N387-R389 PolarHBondContact O-N 3.23Å
390G38.3Very low53.9Low30 Ų3075.2 Ų75.231%0.30943%0.426SS..  trans-47.8163.2175.100000111.2N384 P392N384-G390 PolarHBondContact O-N 2.89Å; G390-P392 WeakPolarHBondContact O-CA 3.46Å
391L41.8Very low52.4Low33 Ų3378.1 Ų78.117%0.17344%0.442CS..THydrogen-bonded Turntrans-33.9112.7155.8-107.9152.3000106.5L381 S393 C483 K484L381-L391 HydrophobicContact CD2-CD1 3.47Å; L381-L391 VanDerWaalsContact CD2-CD1 3.47Å; L381-L391 HydrophobicContact CD2-CG 4Å; L391-S393 VanDerWaalsContact C-N 3.28Å; L391-S393 PolarHBondContact O-N 2.87Å; L391-C483 HydrophobicContact CD1-CB 4.39Å; L391-K484 HydrophobicContact CD2-CG 4.1Å
392P38.3Very low51Low65 Ų6583.7 Ų83.742%0.42248%0.481SS..THydrogen-bonded Turntrans-36101.3-144.314.2-30.8000108.4G390 F394G390-P392 WeakPolarHBondContact O-CA 3.46Å; P392-F394 HydrophobicContact CB-CD2 3.71Å; P392-F394 HydrophobicContact CB-CE2 3.64Å; P392-F394 HydrophobicContact CB-CG 4.31Å; P392-F394 HydrophobicContact CB-CZ 4.18Å; P392-F394 HydrophobicContact CG-CD2 3.99Å; P392-F394 HydrophobicContact CG-CE2 3.54Å; P392-F394 HydrophobicContact CG-CZ 4.23Å; P392-F394 WeakPolarHBondContact O-CD2 3.09Å; P392-F394 PolarHBondContact O-N 3.34Å
393S35.9Very low49.8Very low82 Ų8284.2 Ų84.257%0.57349%0.485SS*.  trans-62.784.6153.848.40000101.3L391 G395L391-S393 VanDerWaalsContact C-N 3.28Å; L391-S393 PolarHBondContact O-N 2.87Å; S393-G395 PolarHBondContact O-N 3.34Å
394F38.6Very low49.4Very low122 Ų12284.4 Ų84.454%0.53549%0.493SS..  trans-56.490.9162-79.4-81.6000102P392 I396P392-F394 HydrophobicContact CB-CD2 3.71Å; P392-F394 HydrophobicContact CB-CE2 3.64Å; P392-F394 HydrophobicContact CB-CG 4.31Å; P392-F394 HydrophobicContact CB-CZ 4.18Å; P392-F394 HydrophobicContact CG-CD2 3.99Å; P392-F394 HydrophobicContact CG-CE2 3.54Å; P392-F394 HydrophobicContact CG-CZ 4.23Å; P392-F394 WeakPolarHBondContact O-CD2 3.09Å; P392-F394 PolarHBondContact O-N 3.34Å; F394-I396 HydrophobicContact CB-CG1 4.44Å; F394-I396 PolarHBondContact O-N 2.95Å
395G30.6Very low49.2Very low75 Ų7586.5 Ų86.577%0.77351%0.51SS*.  trans-67.355.8165.500000107.7S393 S397S393-G395 PolarHBondContact O-N 3.34Å; G395-S397 PolarHBondContact O-N 3.34Å; G395-S397 VanDerWaalsContact O-N 3.15Å
396I34.7Very low49.4Very low81 Ų8189 Ų8942%0.41553%0.525SS..  trans-61.4102.7137-57.6172.4000101.5F394 S398 D400 L401F394-I396 HydrophobicContact CB-CG1 4.44Å; F394-I396 PolarHBondContact O-N 2.95Å; I396-S398 PolarHBondContact O-N 2.75Å; I396-D400 HydrophobicContact CG2-CB 4.23Å; I396-L401 HydrophobicContact CG2-CB 4.47Å
397S32Very low50.1Low58 Ų5887.7 Ų87.741%0.40652%0.523SS..  trans-44.7138.5164.451.80000106.8G395 S399 D400G395-S397 PolarHBondContact O-N 3.34Å; G395-S397 VanDerWaalsContact O-N 3.15Å; S397-S399 WeakPolarHBondContact CB-OG 3.48Å; S397-S399 PolarHBondContact O-N 3.21Å; S397-S399 PolarHBondContact OG-OG 3.26Å; S397-D400 PolarHBondContact O-N 3.49Å; S397-D400 VanDerWaalsContact O-N 3.11Å
398S41.3Very low50.9Low135 Ų13584.2 Ų84.294%0.94450%0.504SS*.THydrogen-bonded Turntrans-53.3-1.3175.2520000114.4I396I396-S398 PolarHBondContact O-N 2.75Å
399S38.8Very low52.3Low88 Ų8878.5 Ų78.562%0.61548%0.481SS*.THydrogen-bonded Turntrans-84.3-21.117662.10000115.6S397S397-S399 WeakPolarHBondContact CB-OG 3.48Å; S397-S399 PolarHBondContact O-N 3.21Å; S397-S399 PolarHBondContact OG-OG 3.26Å
400D45Very low54.3Low118 Ų11876 Ų7663%0.63148%0.475SS*.SBendtrans-111.4-7.6-159.9-73.215.9000116.3I396 S397I396-D400 HydrophobicContact CG2-CB 4.23Å; S397-D400 PolarHBondContact O-N 3.49Å; S397-D400 VanDerWaalsContact O-N 3.11Å
401L49.9Very low56.7Low81 Ų8175.2 Ų75.242%0.42446%0.464SS..  trans-119.4101.7169.1-119.378.7000109.5I396 T403I396-L401 HydrophobicContact CG2-CB 4.47Å; L401-T403 HydrophobicContact CB-CG2 3.89Å; L401-T403 HydrophobicContact CD2-CG2 3.69Å; L401-T403 HydrophobicContact CG-CG2 4.15Å; L401-T403 PolarHBondContact O-N 3.14Å
402S51.3Low58.9Low121 Ų12173.9 Ų73.985%0.84646%0.457SS*.  trans-68.678.3162.263.60000108.3S404S402-S404 VanDerWaalsContact C-N 3.33Å; S402-S404 PolarHBondContact O-N 2.7Å
403T58.4Low61.2Low18 Ų1879.5 Ų79.511%0.1147%0.47CS..  trans-70.192.5178.737.90000109.1L401 E438 L442 K444L401-T403 HydrophobicContact CB-CG2 3.89Å; L401-T403 HydrophobicContact CD2-CG2 3.69Å; L401-T403 HydrophobicContact CG-CG2 4.15Å; L401-T403 PolarHBondContact O-N 3.14Å; T403-E438 WeakPolarHBondContact CG2-OE2 3.44Å; T403-L442 WeakPolarHBondContact OG1-CD1 3.29Å; T403-K444 PolarHBondContact O-NZ 3.32Å
404S68Low63.8Low57 Ų5779.1 Ų79.140%0.39946%0.461SS..  trans-64.5145.5170.672.10000108.8S402 D406 H407 V408S402-S404 VanDerWaalsContact C-N 3.33Å; S402-S404 PolarHBondContact O-N 2.7Å; S404-D406 PolarHBondContact O-N 2.86Å; S404-D406 VanDerWaalsContact O-N 3.14Å; S404-H407 WeakPolarHBondContact O-CB 3.41Å; S404-H407 PolarHBondContact O-N 3.43Å; S404-H407 PolarHBondContact OG-N 3.35Å; S404-H407 VanDerWaalsContact OG-N 3.17Å; S404-V408 PolarHBondContact O-N 2.67Å
405S74.1Confident66.3Low70 Ų7073.3 Ų73.349%0.4944%0.436SS..Hα-helixtrans-56.1-29.9173.358.10000111.5H407 V408 G409S405-H407 VanDerWaalsContact C-N 3.32Å; S405-H407 PolarHBondContact O-N 2.74Å; S405-V408 PolarHBondContact O-N 3.28Å; S405-G409 PolarHBondContact O-N 3.45Å
406D80.2Confident69Low127 Ų12777.2 Ų77.268%0.67943%0.427SS*.Hα-helixtrans-64.5-35.7177.6-61.2-16.2000112.3S404 K410S404-D406 PolarHBondContact O-N 2.86Å; S404-D406 VanDerWaalsContact O-N 3.14Å; D406-K410 WeakPolarHBondContact O-CB 3.26Å; D406-K410 PolarHBondContact O-N 3.41Å
407H85.3Confident71.6Confident74 Ų7473.3 Ų73.334%0.34341%0.407SS..Hα-helixtrans-65.9-49.1176-17571.4000111.3S404 S405 G409 K410 L411S404-H407 WeakPolarHBondContact O-CB 3.41Å; S404-H407 PolarHBondContact O-N 3.43Å; S404-H407 PolarHBondContact OG-N 3.35Å; S404-H407 VanDerWaalsContact OG-N 3.17Å; S405-H407 VanDerWaalsContact C-N 3.32Å; S405-H407 PolarHBondContact O-N 2.74Å; H407-G409 VanDerWaalsContact C-N 3.33Å; H407-G409 PolarHBondContact O-N 3.44Å; H407-K410 WeakPolarHBondContact O-CB 3.39Å; H407-K410 PolarHBondContact O-N 2.95Å; H407-K410 VanDerWaalsContact O-N 3.14Å; H407-L411 WeakPolarHBondContact O-CG 3.45Å; H407-L411 PolarHBondContact O-N 3.32Å
408V84.8Confident74.2Confident1 Ų174.1 Ų74.11%0.00641%0.407CS..Hα-helixtrans-63.1-41.5177.6-179.70000110.7S404 S405 K410 L411 I412 E438 I439 F445S404-V408 PolarHBondContact O-N 2.67Å; S405-V408 PolarHBondContact O-N 3.28Å; V408-K410 VanDerWaalsContact C-N 3.3Å; V408-K410 PolarHBondContact O-N 2.87Å; V408-L411 PolarHBondContact O-N 3.17Å; V408-I412 HydrophobicContact CG1-CD1 4.03Å; V408-I412 HydrophobicContact CG1-CG1 4.49Å; V408-I412 WeakPolarHBondContact O-CG1 3.46Å; V408-I412 PolarHBondContact O-N 3.02Å; V408-E438 HydrophobicContact CG2-CB 4.25Å; V408-I439 HydrophobicContact CG1-CG1 4.04Å; V408-F445 HydrophobicContact CB-CE1 4.34Å; V408-F445 HydrophobicContact CB-CZ 4.16Å; V408-F445 HydrophobicContact CG2-CE1 4.35Å; V408-F445 HydrophobicContact CG2-CE2 3.87Å; V408-F445 HydrophobicContact CG2-CZ 3.69Å
409G85.2Confident76.1Confident32 Ų3273.2 Ų73.233%0.3340%0.395SS..Hα-helixtrans-61.5-35.8174.400000113.2S405 H407 R413S405-G409 PolarHBondContact O-N 3.45Å; H407-G409 VanDerWaalsContact C-N 3.33Å; H407-G409 PolarHBondContact O-N 3.44Å; G409-R413 WeakPolarHBondContact O-CB 3.45Å; G409-R413 PolarHBondContact O-N 3.14Å; G409-R413 VanDerWaalsContact O-N 3.09Å
410K87.4Confident78Confident128 Ų12870.7 Ų70.756%0.55738%0.377SS*.Hα-helixtrans-68.5-45.1173.2-172.7177.9179.6-176.70111.6D406 H407 V408 I412 R413 D414D406-K410 WeakPolarHBondContact O-CB 3.26Å; D406-K410 PolarHBondContact O-N 3.41Å; H407-K410 WeakPolarHBondContact O-CB 3.39Å; H407-K410 PolarHBondContact O-N 2.95Å; H407-K410 VanDerWaalsContact O-N 3.14Å; V408-K410 VanDerWaalsContact C-N 3.3Å; V408-K410 PolarHBondContact O-N 2.87Å; K410-I412 VanDerWaalsContact C-N 3.34Å; K410-I412 PolarHBondContact O-N 3.33Å; K410-R413 PolarHBondContact O-N 3.1Å; K410-D414 WeakPolarHBondContact CG-OD2 3.27Å; K410-D414 WeakPolarHBondContact O-CB 3.3Å; K410-D414 PolarHBondContact O-N 3.44Å
411L88.3Confident79.3Confident13 Ų1368.2 Ų68.27%0.06837%0.369CS..Hα-helixtrans-57.6-46.2175.2-69.4177.6000111.7H407 V408 R413 D414 S415 L431 L434 A435 E438H407-L411 WeakPolarHBondContact O-CG 3.45Å; H407-L411 PolarHBondContact O-N 3.32Å; V408-L411 PolarHBondContact O-N 3.17Å; L411-R413 VanDerWaalsContact C-N 3.33Å; L411-R413 PolarHBondContact O-N 3.07Å; L411-D414 PolarHBondContact O-N 3.43Å; L411-S415 WeakPolarHBondContact O-CB 3.46Å; L411-S415 PolarHBondContact O-N 3.12Å; L411-L431 HydrophobicContact CD2-CD2 4.06Å; L411-L434 HydrophobicContact CD1-CD2 4.01Å; L411-L434 HydrophobicContact CD1-CG 4.26Å; L411-L434 HydrophobicContact CD2-CD2 3.81Å; L411-A435 HydrophobicContact CB-CB 4.31Å; L411-E438 HydrophobicContact CD1-CG 4.26Å
412I88.6Confident80.3Confident5 Ų568 Ų683%0.02638%0.379CS..Hα-helixtrans-60.9-43177.5-70.2170.7000110.7V408 K410 S415 L418 F454V408-I412 HydrophobicContact CG1-CD1 4.03Å; V408-I412 HydrophobicContact CG1-CG1 4.49Å; V408-I412 WeakPolarHBondContact O-CG1 3.46Å; V408-I412 PolarHBondContact O-N 3.02Å; K410-I412 VanDerWaalsContact C-N 3.34Å; K410-I412 PolarHBondContact O-N 3.33Å; I412-S415 PolarHBondContact O-OG 2.8Å; I412-L418 HydrophobicContact CG2-CD1 3.51Å; I412-L418 HydrophobicContact CG2-CG 4.09Å; I412-F454 HydrophobicContact CB-CD2 4.45Å; I412-F454 HydrophobicContact CD1-CB 4.31Å; I412-F454 HydrophobicContact CD1-CG 4.42Å; I412-F454 HydrophobicContact CG1-CB 4.4Å; I412-F454 HydrophobicContact CG1-CD1 4.36Å; I412-F454 HydrophobicContact CG1-CD2 4.21Å; I412-F454 HydrophobicContact CG1-CG 4.08Å; I412-F454 HydrophobicContact CG2-CB 4.02Å; I412-F454 HydrophobicContact CG2-CD2 3.87Å; I412-F454 HydrophobicContact CG2-CG 4.14Å
413R87.8Confident81.8Confident184 Ų18467 Ų6769%0.69436%0.364SS*.Hα-helixtrans-64.8-48.3178.1-168.9-173-54.6-167.42.9112G409 K410 L411 S415 R416G409-R413 WeakPolarHBondContact O-CB 3.45Å; G409-R413 PolarHBondContact O-N 3.14Å; G409-R413 VanDerWaalsContact O-N 3.09Å; K410-R413 PolarHBondContact O-N 3.1Å; L411-R413 VanDerWaalsContact C-N 3.33Å; L411-R413 PolarHBondContact O-N 3.07Å; R413-S415 VanDerWaalsContact C-N 3.26Å; R413-S415 PolarHBondContact O-N 3.01Å; R413-R416 PolarHBondContact O-N 3.14Å
414D90.7Very high82.7Confident74 Ų7466.7 Ų66.740%0.39636%0.362SS..Hα-helixtrans-72.9-20.8-175.6-67-12000112.2K410 L411 R416 L431K410-D414 WeakPolarHBondContact CG-OD2 3.27Å; K410-D414 WeakPolarHBondContact O-CB 3.3Å; K410-D414 PolarHBondContact O-N 3.44Å; L411-D414 PolarHBondContact O-N 3.43Å; D414-R416 PolarHBondContact O-N 2.91Å; D414-L431 HydrophobicContact CB-CD1 3.86Å
415S89.9Confident83.3Confident0 Ų071.6 Ų71.60%038%0.379CS..THydrogen-bonded Turntrans-63.8-21171.978.20000113.7L411 I412 R413 V417 N428 F454L411-S415 WeakPolarHBondContact O-CB 3.46Å; L411-S415 PolarHBondContact O-N 3.12Å; I412-S415 PolarHBondContact O-OG 2.8Å; R413-S415 VanDerWaalsContact C-N 3.26Å; R413-S415 PolarHBondContact O-N 3.01Å; S415-V417 PolarHBondContact O-N 3.39Å; S415-V417 WeakPolarHBondContact OG-CG2 3.44Å; S415-V417 PolarHBondContact OG-N 3.25Å; S415-N428 PolarHBondContact O-N 3.48Å; S415-F454 WeakPolarHBondContact OG-CE2 3.32Å
416R88.4Confident83.8Confident156 Ų15670.6 Ų70.659%0.58937%0.371SS*.  trans64.45.5-176.6-55.7-179.2177.7-178.9-2.2116.1R413 D414 L418 V419 S420R413-R416 PolarHBondContact O-N 3.14Å; D414-R416 PolarHBondContact O-N 2.91Å; R416-L418 PolarHBondContact O-N 3.16Å; R416-V419 PolarHBondContact O-N 3.04Å; R416-V419 VanDerWaalsContact O-N 3.16Å; R416-S420 PolarHBondContact O-N 3.06Å
417V88.5Confident84.3Confident0 Ų065.1 Ų65.10%034%0.341CS..THydrogen-bonded Turntrans-57.7-48.9179.5174.60000111.7S415 V419 S421 W427 V432 F454 E457 V458S415-V417 PolarHBondContact O-N 3.39Å; S415-V417 WeakPolarHBondContact OG-CG2 3.44Å; S415-V417 PolarHBondContact OG-N 3.25Å; V417-V419 VanDerWaalsContact C-N 3.28Å; V417-V419 PolarHBondContact O-N 3.41Å; V417-S421 PolarHBondContact O-N 3.11Å; V417-W427 HydrophobicContact CB-CD2 4.29Å; V417-W427 HydrophobicContact CG1-CD2 4.42Å; V417-W427 HydrophobicContact CG1-CE3 4.4Å; V417-W427 HydrophobicContact CG1-CH2 3.95Å; V417-W427 HydrophobicContact CG1-CZ2 3.97Å; V417-W427 HydrophobicContact CG1-CZ3 4.17Å; V417-W427 HydrophobicContact CG2-CB 4.34Å; V417-W427 HydrophobicContact CG2-CD2 3.68Å; V417-W427 HydrophobicContact CG2-CE3 3.72Å; V417-W427 HydrophobicContact CG2-CG 3.97Å; V417-W427 HydrophobicContact CG2-CZ3 4.26Å; V417-V432 HydrophobicContact CG2-CG2 3.66Å; V417-F454 HydrophobicContact CB-CD2 3.8Å; V417-F454 HydrophobicContact CB-CE2 3.76Å; V417-F454 HydrophobicContact CG1-CD2 3.91Å; V417-F454 HydrophobicContact CG1-CE2 4.14Å; V417-F454 HydrophobicContact CG2-CD2 4.12Å; V417-F454 HydrophobicContact CG2-CE2 3.54Å; V417-F454 HydrophobicContact CG2-CZ 4.47Å; V417-E457 HydrophobicContact CG1-CB 3.57Å; V417-E457 HydrophobicContact CG1-CG 4.42Å; V417-V458 HydrophobicContact CG1-CG2 3.97Å; V417-V458 HydrophobicContact CG2-CG2 4.27Å
418L85.6Confident84.6Confident75 Ų7565 Ų6539%0.39334%0.343SS..THydrogen-bonded Turntrans-75-15.9-179-62.3-178.4000113.7I412 R416 R453 F454 E457I412-L418 HydrophobicContact CG2-CD1 3.51Å; I412-L418 HydrophobicContact CG2-CG 4.09Å; R416-L418 PolarHBondContact O-N 3.16Å; L418-R453 HydrophobicContact CD2-CB 4.1Å; L418-F454 HydrophobicContact CD2-CB 4.4Å; L418-E457 HydrophobicContact CD2-CG 4.24Å
419V83Confident84.9Confident116 Ų11666.3 Ų66.370%0.70335%0.348SS*.THydrogen-bonded Turntrans-91.8-35.8-177.8-1780000111R416 V417R416-V419 PolarHBondContact O-N 3.04Å; R416-V419 VanDerWaalsContact O-N 3.16Å; V417-V419 VanDerWaalsContact C-N 3.28Å; V417-V419 PolarHBondContact O-N 3.41Å
420S77.6Confident85.2Confident35 Ų3571.2 Ų71.225%0.24537%0.366CS..  trans-128.960.4-177.8-158.70000111.2R416 A422 L423 W427R416-S420 PolarHBondContact O-N 3.06Å; S420-A422 PolarHBondContact O-N 2.91Å; S420-A422 VanDerWaalsContact O-N 3.11Å; S420-L423 PolarHBondContact O-N 3.06Å; S420-W427 PolarHBondContact O-NE1 3.35Å
421S72.4Confident85.4Confident65 Ų6566.8 Ų66.846%0.45535%0.348SS..THydrogen-bonded Turntrans-57.3-27.1-17951.80000113.5V417 E457V417-S421 PolarHBondContact O-N 3.11Å; S421-E457 VanDerWaalsContact CB-OE2 3.25Å; S421-E457 WeakPolarHBondContact CB-OE2 3.46Å
422A71.9Confident85.5Confident76 Ų7666.1 Ų66.163%0.62835%0.345SS*.THydrogen-bonded Turntrans-79-18-177.900000115.2S420S420-A422 PolarHBondContact O-N 2.91Å; S420-A422 VanDerWaalsContact O-N 3.11Å
423L81.1Confident85.6Confident102 Ų10268.1 Ų68.153%0.53436%0.356SS..  trans-128.284.3-172.4-76.7156.4000111.5S420 E425 S426 W427S420-L423 PolarHBondContact O-N 3.06Å; L423-E425 PolarHBondContact O-N 2.82Å; L423-E425 VanDerWaalsContact O-N 3.16Å; L423-S426 WeakPolarHBondContact O-CB 3.44Å; L423-S426 PolarHBondContact O-N 3.41Å; L423-S426 PolarHBondContact O-OG 3.28Å; L423-W427 PolarHBondContact O-NE1 3.17Å
424P78.2Confident85.6Confident11 Ų1162.7 Ų62.77%0.07134%0.34CS..G310 helixtrans-60.5-24.5-179.1-22.633.6000114.3S426 W427 W429 F461P424-S426 PolarHBondContact O-N 3.35Å; P424-W427 HydrophobicContact CB-CD2 4.39Å; P424-W427 HydrophobicContact CB-CE3 4.45Å; P424-W427 WeakPolarHBondContact O-CB 3.49Å; P424-W427 PolarHBondContact O-N 2.74Å; P424-W429 HydrophobicContact CB-CZ2 4.19Å; P424-W429 PolarHBondContact O-NE1 3.03Å; P424-F461 HydrophobicContact CB-CD2 3.49Å; P424-F461 VanDerWaalsContact CB-CD2 3.49Å; P424-F461 HydrophobicContact CB-CE2 3.76Å; P424-F461 HydrophobicContact CB-CG 4.39Å; P424-F461 HydrophobicContact CG-CD2 3.7Å; P424-F461 HydrophobicContact CG-CE2 4.27Å
425E81.1Confident85.6Confident160 Ų16059.1 Ų59.175%0.74832%0.321SS*.G310 helixtrans-65.4-25.2175.6-63.5-177.5176.400112.8L423 W427L423-E425 PolarHBondContact O-N 2.82Å; L423-E425 VanDerWaalsContact O-N 3.16Å; E425-W427 VanDerWaalsContact C-N 3.31Å
426S84.4Confident85.6Confident48 Ų4859.3 Ų59.334%0.33632%0.322SS..G310 helixtrans-83.5-8.7-179.874.30000113.7L423 P424L423-S426 WeakPolarHBondContact O-CB 3.44Å; L423-S426 PolarHBondContact O-N 3.41Å; L423-S426 PolarHBondContact O-OG 3.28Å; P424-S426 PolarHBondContact O-N 3.35Å
427W90.5Very high85.5Confident13 Ų1352.8 Ų52.85%0.04930%0.299CS..SBendtrans-75.5143.7-176.8-60.5-2.3000111V417 S420 L423 P424 E425 W429 E457 V458 F461V417-W427 HydrophobicContact CB-CD2 4.29Å; V417-W427 HydrophobicContact CG1-CD2 4.42Å; V417-W427 HydrophobicContact CG1-CE3 4.4Å; V417-W427 HydrophobicContact CG1-CH2 3.95Å; V417-W427 HydrophobicContact CG1-CZ2 3.97Å; V417-W427 HydrophobicContact CG1-CZ3 4.17Å; V417-W427 HydrophobicContact CG2-CB 4.34Å; V417-W427 HydrophobicContact CG2-CD2 3.68Å; V417-W427 HydrophobicContact CG2-CE3 3.72Å; V417-W427 HydrophobicContact CG2-CG 3.97Å; V417-W427 HydrophobicContact CG2-CZ3 4.26Å; S420-W427 PolarHBondContact O-NE1 3.35Å; L423-W427 PolarHBondContact O-NE1 3.17Å; P424-W427 HydrophobicContact CB-CD2 4.39Å; P424-W427 HydrophobicContact CB-CE3 4.45Å; P424-W427 WeakPolarHBondContact O-CB 3.49Å; P424-W427 PolarHBondContact O-N 2.74Å; E425-W427 VanDerWaalsContact C-N 3.31Å; W427-W429 HydrophobicContact CD2-CZ2 4.39Å; W427-W429 AromaticContact CE3-CH2 3.64Å; W427-W429 HydrophobicContact CE3-CH2 3.64Å; W427-W429 AromaticContact CE3-CZ2 3.54Å; W427-W429 HydrophobicContact CE3-CZ2 3.54Å; W427-W429 HydrophobicContact CE3-CZ3 4.34Å; W427-W429 AromaticContact CZ3-CH2 3.83Å; W427-W429 HydrophobicContact CZ3-CH2 3.83Å; W427-W429 HydrophobicContact CZ3-CZ2 4.09Å; W427-W429 PolarHBondContact O-N 2.62Å; W427-W429 VanDerWaalsContact O-N 3.12Å; W427-E457 HydrophobicContact CH2-CB 4.46Å; W427-V458 HydrophobicContact CZ3-CG2 4.3Å; W427-F461 HydrophobicContact CH2-CB 4.35Å; W427-F461 HydrophobicContact CZ3-CB 4.19Å
428N91.6Very high85.3Confident71 Ų7153.6 Ų53.638%0.3830%0.303SS..  trans-84.288.5171.1-170.6-22000109.8S415 L430 L431 V432S415-N428 PolarHBondContact O-N 3.48Å; N428-L430 PolarHBondContact O-N 3.31Å; N428-L430 VanDerWaalsContact O-N 3.16Å; N428-L430 PolarHBondContact OD1-N 2.71Å; N428-L431 HydrophobicContact CB-CB 4.25Å; N428-L431 HydrophobicContact CB-CD1 4.03Å; N428-L431 HydrophobicContact CB-CG 4.19Å; N428-L431 WeakPolarHBondContact ND2-CD1 3.43Å; N428-L431 WeakPolarHBondContact O-CB 3.44Å; N428-L431 PolarHBondContact O-N 3.46Å; N428-L431 PolarHBondContact OD1-N 2.68Å; N428-V432 WeakPolarHBondContact O-CG2 3.39Å; N428-V432 PolarHBondContact O-N 3.33Å
429W91Very high85.3Confident29 Ų2950 Ų5011%0.1128%0.284CS..Hα-helixtrans-61.1-23.6-176.8-70.693.3000114.7P424 W427 V432 D433 F461 F462 Y478 V481P424-W429 HydrophobicContact CB-CZ2 4.19Å; P424-W429 PolarHBondContact O-NE1 3.03Å; W427-W429 HydrophobicContact CD2-CZ2 4.39Å; W427-W429 AromaticContact CE3-CH2 3.64Å; W427-W429 HydrophobicContact CE3-CH2 3.64Å; W427-W429 AromaticContact CE3-CZ2 3.54Å; W427-W429 HydrophobicContact CE3-CZ2 3.54Å; W427-W429 HydrophobicContact CE3-CZ3 4.34Å; W427-W429 AromaticContact CZ3-CH2 3.83Å; W427-W429 HydrophobicContact CZ3-CH2 3.83Å; W427-W429 HydrophobicContact CZ3-CZ2 4.09Å; W427-W429 PolarHBondContact O-N 2.62Å; W427-W429 VanDerWaalsContact O-N 3.12Å; W429-V432 HydrophobicContact CE3-CB 4.34Å; W429-V432 HydrophobicContact CE3-CG1 4.22Å; W429-V432 HydrophobicContact CZ3-CG1 4.37Å; W429-V432 PolarHBondContact O-N 3.42Å; W429-D433 WeakPolarHBondContact O-CB 3.49Å; W429-D433 PolarHBondContact O-N 2.8Å; W429-F461 HydrophobicContact CH2-CB 4.46Å; W429-F461 AromaticContact CH2-CD1 3.43Å; W429-F461 HydrophobicContact CH2-CD1 3.43Å; W429-F461 VanDerWaalsContact CH2-CD1 3.43Å; W429-F461 HydrophobicContact CH2-CD2 4.42Å; W429-F461 AromaticContact CH2-CE1 3.6Å; W429-F461 HydrophobicContact CH2-CE1 3.6Å; W429-F461 AromaticContact CH2-CG 3.86Å; W429-F461 HydrophobicContact CH2-CG 3.86Å; W429-F461 HydrophobicContact CH2-CZ 4.16Å; W429-F461 HydrophobicContact CZ2-CD1 4.1Å; W429-F461 HydrophobicContact CZ2-CD2 4.39Å; W429-F461 AromaticContact CZ2-CE1 3.99Å; W429-F461 HydrophobicContact CZ2-CE1 3.99Å; W429-F461 HydrophobicContact CZ2-CE2 4.29Å; W429-F461 HydrophobicContact CZ2-CG 4.27Å; W429-F461 HydrophobicContact CZ2-CZ 4.07Å; W429-F461 HydrophobicContact CZ3-CD1 4.33Å; W429-F461 HydrophobicContact CZ3-CE1 4.42Å; W429-F462 HydrophobicContact CZ3-CE2 4.24Å; W429-F462 HydrophobicContact CZ3-CZ 4.24Å; W429-Y478 HydrophobicContact CB-CE1 4.34Å; W429-Y478 AromaticContact CD1-CE1 3.47Å; W429-Y478 VanDerWaalsContact CD1-CE1 3.47Å; W429-Y478 AromaticContact CD2-CD1 3.54Å; W429-Y478 HydrophobicContact CD2-CD1 3.54Å; W429-Y478 AromaticContact CD2-CE1 3.57Å; W429-Y478 HydrophobicContact CD2-CE1 3.57Å; W429-Y478 AromaticContact CE2-CD1 3.66Å; W429-Y478 AromaticContact CE2-CE1 3.49Å; W429-Y478 VanDerWaalsContact CE2-CE1 3.49Å; W429-Y478 AromaticContact CE3-CD1 3.88Å; W429-Y478 HydrophobicContact CE3-CD1 3.88Å; W429-Y478 HydrophobicContact CE3-CE1 4.37Å; W429-Y478 AromaticContact CG-CD1 3.9Å; W429-Y478 HydrophobicContact CG-CD1 3.9Å; W429-Y478 AromaticContact CG-CE1 3.52Å; W429-Y478 HydrophobicContact CG-CE1 3.52Å; W429-Y478 HydrophobicContact CH2-CD1 4.38Å; W429-Y478 HydrophobicContact CZ2-CD1 4.08Å; W429-Y478 HydrophobicContact CZ2-CE1 4.2Å; W429-Y478 HydrophobicContact CZ3-CD1 4.29Å; W429-Y478 AromaticContact NE1-CE1 3.42Å; W429-V481 HydrophobicContact CE3-CG1 4.23Å; W429-V481 HydrophobicContact CZ3-CG1 4.18Å
430L90.3Very high85.2Confident134 Ų13447.2 Ų47.270%0.70227%0.27SS*.Hα-helixtrans-71.2-38.2174.3-166143.4000111.1N428 D433 L434N428-L430 PolarHBondContact O-N 3.31Å; N428-L430 VanDerWaalsContact O-N 3.16Å; N428-L430 PolarHBondContact OD1-N 2.71Å; L430-D433 PolarHBondContact O-N 2.64Å; L430-L434 PolarHBondContact O-N 2.98Å; L430-L434 VanDerWaalsContact O-N 3.12Å
431L91.7Very high85.1Confident35 Ų3551 Ų5118%0.18328%0.282CS..Hα-helixtrans-72.4-33.2172.3-64.7179.3000112.1L411 D414 N428 L434 A435L411-L431 HydrophobicContact CD2-CD2 4.06Å; D414-L431 HydrophobicContact CB-CD1 3.86Å; N428-L431 HydrophobicContact CB-CB 4.25Å; N428-L431 HydrophobicContact CB-CD1 4.03Å; N428-L431 HydrophobicContact CB-CG 4.19Å; N428-L431 WeakPolarHBondContact ND2-CD1 3.43Å; N428-L431 WeakPolarHBondContact O-CB 3.44Å; N428-L431 PolarHBondContact O-N 3.46Å; N428-L431 PolarHBondContact OD1-N 2.68Å; L431-L434 PolarHBondContact O-N 3.02Å; L431-A435 VanDerWaalsContact O-CB 3.27Å; L431-A435 WeakPolarHBondContact O-CB 3.37Å; L431-A435 PolarHBondContact O-N 3.4Å
432V91.8Very high85.2Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-61-47171.9174.90000110.3V417 N428 W429 L434 A435 L436 F454 V458 V481V417-V432 HydrophobicContact CG2-CG2 3.66Å; N428-V432 WeakPolarHBondContact O-CG2 3.39Å; N428-V432 PolarHBondContact O-N 3.33Å; W429-V432 HydrophobicContact CE3-CB 4.34Å; W429-V432 HydrophobicContact CE3-CG1 4.22Å; W429-V432 HydrophobicContact CZ3-CG1 4.37Å; W429-V432 PolarHBondContact O-N 3.42Å; V432-L434 VanDerWaalsContact C-N 3.33Å; V432-L434 PolarHBondContact O-N 3.32Å; V432-A435 PolarHBondContact O-N 2.96Å; V432-L436 HydrophobicContact CG1-CD1 4.28Å; V432-L436 WeakPolarHBondContact O-CG 2.98Å; V432-L436 PolarHBondContact O-N 3.31Å; V432-F454 HydrophobicContact CB-CZ 4.33Å; V432-F454 HydrophobicContact CG1-CZ 3.99Å; V432-F454 HydrophobicContact CG2-CE2 4.35Å; V432-F454 HydrophobicContact CG2-CZ 4.2Å; V432-V458 HydrophobicContact CG1-CG1 4.19Å; V432-V458 HydrophobicContact CG1-CG2 4.1Å; V432-V481 HydrophobicContact CG1-CG1 3.9Å
433D89.5Confident85.3Confident47 Ų4750.9 Ų50.925%0.25127%0.271SS..Hα-helixtrans-58.8-44.9177.5-170.437.2000112.2W429 L430 T437 V481 K484W429-D433 WeakPolarHBondContact O-CB 3.49Å; W429-D433 PolarHBondContact O-N 2.8Å; L430-D433 PolarHBondContact O-N 2.64Å; D433-T437 PolarHBondContact O-N 3.43Å; D433-T437 VanDerWaalsContact O-N 3.12Å; D433-T437 PolarHBondContact O-OG1 2.96Å; D433-V481 HydrophobicContact CB-CG2 3.96Å; D433-K484 VanDerWaalsContact CG-NZ 3.26Å; D433-K484 WeakPolarHBondContact OD1-CD 3.17Å; D433-K484 WeakPolarHBondContact OD1-CE 3.43Å; D433-K484 IonicContact OD1-NZ 3.41Å; D433-K484 PolarHBondContact OD1-NZ 3.3Å; D433-K484 IonicContact OD2-NZ 3.78Å; D433-K484 PolarHBondContact OD2-NZ 3.15Å; D433-K484 VanDerWaalsContact OD2-NZ 3.14Å
434L88.8Confident85.2Confident69 Ų6951.7 Ų51.736%0.36127%0.27SS..Hα-helixtrans-64.3-46.5176.5-169.172.7000111.6L411 L430 L431 V432 L436 T437 E438L411-L434 HydrophobicContact CD1-CD2 4.01Å; L411-L434 HydrophobicContact CD1-CG 4.26Å; L411-L434 HydrophobicContact CD2-CD2 3.81Å; L430-L434 PolarHBondContact O-N 2.98Å; L430-L434 VanDerWaalsContact O-N 3.12Å; L431-L434 PolarHBondContact O-N 3.02Å; V432-L434 VanDerWaalsContact C-N 3.33Å; V432-L434 PolarHBondContact O-N 3.32Å; L434-L436 PolarHBondContact O-N 3.24Å; L434-T437 WeakPolarHBondContact O-CB 3.44Å; L434-T437 PolarHBondContact O-N 2.95Å; L434-T437 VanDerWaalsContact O-N 3.1Å; L434-E438 WeakPolarHBondContact O-CG 3.49Å; L434-E438 PolarHBondContact O-N 3.12Å
435A89.7Confident85.2Confident0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-60-43.9179.700000112L411 L431 V432 T437 E438 I439 F454L411-A435 HydrophobicContact CB-CB 4.31Å; L431-A435 VanDerWaalsContact O-CB 3.27Å; L431-A435 WeakPolarHBondContact O-CB 3.37Å; L431-A435 PolarHBondContact O-N 3.4Å; V432-A435 PolarHBondContact O-N 2.96Å; A435-T437 VanDerWaalsContact C-N 3.29Å; A435-T437 PolarHBondContact O-N 2.82Å; A435-E438 PolarHBondContact O-N 3.43Å; A435-I439 WeakPolarHBondContact O-CD1 3.44Å; A435-I439 WeakPolarHBondContact O-CG1 3.48Å; A435-I439 PolarHBondContact O-N 3.47Å; A435-F454 HydrophobicContact CB-CE1 4.15Å; A435-F454 HydrophobicContact CB-CZ 4.06Å
436L90Very high85.1Confident3 Ų344.5 Ų44.52%0.01624%0.235CC..Hα-helixtrans-63-37.7175.4-68.3177.4000112.1V432 L434 S440 F454 I455 V481 L485 L488V432-L436 HydrophobicContact CG1-CD1 4.28Å; V432-L436 WeakPolarHBondContact O-CG 2.98Å; V432-L436 PolarHBondContact O-N 3.31Å; L434-L436 PolarHBondContact O-N 3.24Å; L436-S440 WeakPolarHBondContact O-CB 3.37Å; L436-S440 PolarHBondContact O-N 2.85Å; L436-S440 VanDerWaalsContact O-N 3.1Å; L436-F454 HydrophobicContact CD2-CE1 4.08Å; L436-F454 HydrophobicContact CG-CE1 4.48Å; L436-I455 HydrophobicContact CD2-CG1 4.39Å; L436-V481 HydrophobicContact CD1-CG1 3.68Å; L436-L485 HydrophobicContact CD1-CB 4.08Å; L436-L485 HydrophobicContact CD1-CD1 4.38Å; L436-L485 HydrophobicContact CD2-CD1 3.75Å; L436-L488 HydrophobicContact CD2-CD1 4.38Å; L436-L488 VanDerWaalsContact O-CD1 3.3Å; L436-L488 WeakPolarHBondContact O-CD1 3.48Å
437T86.7Confident84.8Confident20 Ų2046.9 Ų46.912%0.12325%0.251CS..Hα-helixtrans-63-48.1177-54.90000110.2D433 L434 A435 I439 S440 F441 K484D433-T437 PolarHBondContact O-N 3.43Å; D433-T437 VanDerWaalsContact O-N 3.12Å; D433-T437 PolarHBondContact O-OG1 2.96Å; L434-T437 WeakPolarHBondContact O-CB 3.44Å; L434-T437 PolarHBondContact O-N 2.95Å; L434-T437 VanDerWaalsContact O-N 3.1Å; A435-T437 VanDerWaalsContact C-N 3.29Å; A435-T437 PolarHBondContact O-N 2.82Å; T437-I439 PolarHBondContact O-N 3.4Å; T437-S440 PolarHBondContact O-N 3.1Å; T437-S440 PolarHBondContact O-OG 3.04Å; T437-F441 HydrophobicContact CG2-CE2 3.81Å; T437-F441 WeakPolarHBondContact O-CD2 3.42Å; T437-K484 PolarHBondContact OG1-NZ 3.1Å
438E84.2Confident84.6Confident16 Ų1648.7 Ų48.78%0.07526%0.261CS..Hα-helixtrans-64.8-40.3178.5-66.6-60.8160.400113.5T403 V408 L411 L434 A435 S440 F441T403-E438 WeakPolarHBondContact CG2-OE2 3.44Å; V408-E438 HydrophobicContact CG2-CB 4.25Å; L411-E438 HydrophobicContact CD1-CG 4.26Å; L434-E438 WeakPolarHBondContact O-CG 3.49Å; L434-E438 PolarHBondContact O-N 3.12Å; A435-E438 PolarHBondContact O-N 3.43Å; E438-S440 VanDerWaalsContact C-N 3.27Å; E438-S440 PolarHBondContact O-N 3.31Å; E438-F441 PolarHBondContact O-N 3.48Å
439I84.8Confident84.3Confident0 Ų049.2 Ų49.20%027%0.269CS..Hα-helixtrans-63.7-36.6177.3-65.2163.1000110.5V408 A435 T437 F441 L442 F445 C451 F454 I455 L488V408-I439 HydrophobicContact CG1-CG1 4.04Å; A435-I439 WeakPolarHBondContact O-CD1 3.44Å; A435-I439 WeakPolarHBondContact O-CG1 3.48Å; A435-I439 PolarHBondContact O-N 3.47Å; T437-I439 PolarHBondContact O-N 3.4Å; I439-F441 PolarHBondContact O-N 3.46Å; I439-L442 PolarHBondContact O-N 3.34Å; I439-F445 HydrophobicContact CG2-CB 3.98Å; I439-C451 HydrophobicContact CD1-CB 4.38Å; I439-F454 HydrophobicContact CD1-CD1 4.31Å; I439-F454 HydrophobicContact CD1-CE1 4.48Å; I439-I455 HydrophobicContact CG2-CD1 4.4Å; I439-L488 HydrophobicContact CB-CD1 3.89Å; I439-L488 HydrophobicContact CG2-CD1 3.77Å
440S81.7Confident84.1Confident58 Ų5849.8 Ų49.841%0.40628%0.28SS..Hα-helixtrans-63.1-27.1-177.574.80000114.1L436 T437 E438L436-S440 WeakPolarHBondContact O-CB 3.37Å; L436-S440 PolarHBondContact O-N 2.85Å; L436-S440 VanDerWaalsContact O-N 3.1Å; T437-S440 PolarHBondContact O-N 3.1Å; T437-S440 PolarHBondContact O-OG 3.04Å; E438-S440 VanDerWaalsContact C-N 3.27Å; E438-S440 PolarHBondContact O-N 3.31Å
441F75Confident84Confident115 Ų11543.4 Ų43.450%0.50425%0.247SC..Hα-helixtrans-82.2-19.7-177.7-73-66.3000114.1T437 E438 I439T437-F441 HydrophobicContact CG2-CE2 3.81Å; T437-F441 WeakPolarHBondContact O-CD2 3.42Å; E438-F441 PolarHBondContact O-N 3.48Å; I439-F441 PolarHBondContact O-N 3.46Å
442L74.8Confident83.9Confident44 Ų4443.1 Ų43.123%0.2325%0.245CC..  trans-128.2102.2-165.3-80.8170.7000111.9T403 I439 K444 F445T403-L442 WeakPolarHBondContact OG1-CD1 3.29Å; I439-L442 PolarHBondContact O-N 3.34Å; L442-K444 HydrophobicContact CB-CG 4.18Å; L442-K444 PolarHBondContact O-N 3.19Å; L442-F445 HydrophobicContact CB-CD2 3.49Å; L442-F445 VanDerWaalsContact CB-CD2 3.49Å; L442-F445 HydrophobicContact CB-CE2 3.65Å; L442-F445 HydrophobicContact CD1-CD2 4.32Å; L442-F445 HydrophobicContact CD1-CE2 3.59Å; L442-F445 HydrophobicContact CD1-CZ 4.48Å; L442-F445 HydrophobicContact CG-CE2 4.29Å; L442-F445 PolarHBondContact O-N 2.92Å
443P74Confident83.9Confident93 Ų9351.4 Ų51.460%0.60428%0.276SS*.G310 helixtrans-56.7-26-176-26.633.3000114.9F445 H446P443-F445 PolarHBondContact O-N 2.89Å; P443-F445 VanDerWaalsContact O-N 3.14Å; P443-H446 WeakPolarHBondContact O-CB 3.48Å; P443-H446 PolarHBondContact O-N 3.48Å; P443-H446 PolarHBondContact O-ND1 3.32Å
444K78.6Confident84Confident119 Ų11949.1 Ų49.152%0.51726%0.264SS..G310 helixtrans-55.4-28.5176.562.4179.3179.8-177.60113.1T403 L442T403-K444 PolarHBondContact O-NZ 3.32Å; L442-K444 HydrophobicContact CB-CG 4.18Å; L442-K444 PolarHBondContact O-N 3.19Å
445F79.6Confident84.2Confident6 Ų645.9 Ų45.93%0.02625%0.247CC..G310 helixtrans-83.4-13.1-179.3-62.4-58.3000113.6V408 I439 L442 P443 C447 D448V408-F445 HydrophobicContact CB-CE1 4.34Å; V408-F445 HydrophobicContact CB-CZ 4.16Å; V408-F445 HydrophobicContact CG2-CE1 4.35Å; V408-F445 HydrophobicContact CG2-CE2 3.87Å; V408-F445 HydrophobicContact CG2-CZ 3.69Å; I439-F445 HydrophobicContact CG2-CB 3.98Å; L442-F445 HydrophobicContact CB-CD2 3.49Å; L442-F445 VanDerWaalsContact CB-CD2 3.49Å; L442-F445 HydrophobicContact CB-CE2 3.65Å; L442-F445 HydrophobicContact CD1-CD2 4.32Å; L442-F445 HydrophobicContact CD1-CE2 3.59Å; L442-F445 HydrophobicContact CD1-CZ 4.48Å; L442-F445 HydrophobicContact CG-CE2 4.29Å; L442-F445 PolarHBondContact O-N 2.92Å; P443-F445 PolarHBondContact O-N 2.89Å; P443-F445 VanDerWaalsContact O-N 3.14Å; F445-C447 PolarHBondContact O-N 3.33Å; F445-D448 PolarHBondContact O-N 3.23Å
446H78Confident84.4Confident14 Ų1448.4 Ų48.47%0.06526%0.262CS..G310 helixtrans-64-21.4176.6-62.3148.7000113.1P443 M498P443-H446 WeakPolarHBondContact O-CB 3.48Å; P443-H446 PolarHBondContact O-N 3.48Å; P443-H446 PolarHBondContact O-ND1 3.32Å; H446-M498 HydrophobicContact CB-CE 4.47Å; H446-M498 HydrophobicContact CB-SD 4.2Å
447C78.9Confident84.5Confident99 Ų9951.6 Ų51.667%0.66928%0.277SS*.G310 helixtrans-108.4-2178.9-58.80000113.3F445 P449F445-C447 PolarHBondContact O-N 3.33Å; C447-P449 WeakPolarHBondContact O-CD 3.11Å
448D85.4Confident84.8Confident50 Ų5050.7 Ų50.727%0.26727%0.271SS..  trans-73120.1-179.41754.7000110F445 A450 C451 I452F445-D448 PolarHBondContact O-N 3.23Å; D448-A450 PolarHBondContact O-N 2.93Å; D448-A450 PolarHBondContact OD1-N 3.38Å; D448-C451 HydrophobicContact CB-CB 4.01Å; D448-C451 PolarHBondContact O-N 2.87Å; D448-C451 VanDerWaalsContact O-N 3.14Å; D448-C451 PolarHBondContact OD2-SG 3.39Å; D448-I452 WeakPolarHBondContact O-CG1 3.08Å; D448-I452 PolarHBondContact O-N 3.45Å
449P86.2Confident85.2Confident82 Ų8250 Ų5053%0.53227%0.268SS..Hα-helixtrans-59.5-30.4-178.823.2-34000113.6C447 R453C447-P449 WeakPolarHBondContact O-CD 3.11Å; P449-R453 WeakPolarHBondContact O-CG 3.25Å; P449-R453 PolarHBondContact O-N 2.91Å
450A87Confident85.5Confident42 Ų4251.4 Ų51.435%0.34728%0.283SS..Hα-helixtrans-69.6-44.2176.600000111.3D448 R453 F454D448-A450 PolarHBondContact O-N 2.93Å; D448-A450 PolarHBondContact OD1-N 3.38Å; A450-R453 PolarHBondContact O-N 2.84Å; A450-F454 WeakPolarHBondContact O-CB 3.3Å; A450-F454 PolarHBondContact O-N 2.95Å
451C88.2Confident86Confident0 Ų049.2 Ų49.20%027%0.266CS..Hα-helixtrans-64.1-42175.6-66.80000111.7I439 D448 F454 I455I439-C451 HydrophobicContact CD1-CB 4.38Å; D448-C451 HydrophobicContact CB-CB 4.01Å; D448-C451 PolarHBondContact O-N 2.87Å; D448-C451 VanDerWaalsContact O-N 3.14Å; D448-C451 PolarHBondContact OD2-SG 3.39Å; C451-F454 WeakPolarHBondContact O-CB 3.41Å; C451-F454 PolarHBondContact O-N 3.49Å; C451-I455 WeakPolarHBondContact O-CB 3.35Å; C451-I455 WeakPolarHBondContact O-CG1 3.27Å; C451-I455 PolarHBondContact O-N 3.22Å
452I89.3Confident86.9Confident29 Ų2943.8 Ų43.815%0.14924%0.243CC..Hα-helixtrans-61.4-48.1176.7-69.8169.5000110.7D448 F454 I455 V456 L497 M498D448-I452 WeakPolarHBondContact O-CG1 3.08Å; D448-I452 PolarHBondContact O-N 3.45Å; I452-F454 VanDerWaalsContact C-N 3.31Å; I452-F454 PolarHBondContact O-N 2.83Å; I452-I455 PolarHBondContact O-N 2.98Å; I452-V456 HydrophobicContact CG2-CG2 4.37Å; I452-V456 VanDerWaalsContact O-CG2 3.29Å; I452-V456 WeakPolarHBondContact O-CG2 3.08Å; I452-V456 PolarHBondContact O-N 3.29Å; I452-L497 HydrophobicContact CG2-CD2 3.73Å; I452-M498 HydrophobicContact CG1-CE 3.98Å
453R90.5Very high87.6Confident173 Ų17343.6 Ų43.665%0.65324%0.24SC*.Hα-helixtrans-60-43.3177.1-74.5179.8-165.5-179.44.9111.7L418 P449 A450 I455 V456 E457L418-R453 HydrophobicContact CD2-CB 4.1Å; P449-R453 WeakPolarHBondContact O-CG 3.25Å; P449-R453 PolarHBondContact O-N 2.91Å; A450-R453 PolarHBondContact O-N 2.84Å; R453-I455 PolarHBondContact O-N 3.08Å; R453-V456 PolarHBondContact O-N 3.32Å; R453-E457 WeakPolarHBondContact O-CG 3.18Å; R453-E457 PolarHBondContact O-N 2.53Å; R453-E457 VanDerWaalsContact O-N 3.1Å
454F92.7Very high88.2Confident0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-57.7-48.5175.8171.7-100.2000111.4I412 S415 V417 L418 V432 A435 L436 I439 A450 C451 I452 V456 E457 V458I412-F454 HydrophobicContact CB-CD2 4.45Å; I412-F454 HydrophobicContact CD1-CB 4.31Å; I412-F454 HydrophobicContact CD1-CG 4.42Å; I412-F454 HydrophobicContact CG1-CB 4.4Å; I412-F454 HydrophobicContact CG1-CD1 4.36Å; I412-F454 HydrophobicContact CG1-CD2 4.21Å; I412-F454 HydrophobicContact CG1-CG 4.08Å; I412-F454 HydrophobicContact CG2-CB 4.02Å; I412-F454 HydrophobicContact CG2-CD2 3.87Å; I412-F454 HydrophobicContact CG2-CG 4.14Å; S415-F454 WeakPolarHBondContact OG-CE2 3.32Å; V417-F454 HydrophobicContact CB-CD2 3.8Å; V417-F454 HydrophobicContact CB-CE2 3.76Å; V417-F454 HydrophobicContact CG1-CD2 3.91Å; V417-F454 HydrophobicContact CG1-CE2 4.14Å; V417-F454 HydrophobicContact CG2-CD2 4.12Å; V417-F454 HydrophobicContact CG2-CE2 3.54Å; V417-F454 HydrophobicContact CG2-CZ 4.47Å; L418-F454 HydrophobicContact CD2-CB 4.4Å; V432-F454 HydrophobicContact CB-CZ 4.33Å; V432-F454 HydrophobicContact CG1-CZ 3.99Å; V432-F454 HydrophobicContact CG2-CE2 4.35Å; V432-F454 HydrophobicContact CG2-CZ 4.2Å; A435-F454 HydrophobicContact CB-CE1 4.15Å; A435-F454 HydrophobicContact CB-CZ 4.06Å; L436-F454 HydrophobicContact CD2-CE1 4.08Å; L436-F454 HydrophobicContact CG-CE1 4.48Å; I439-F454 HydrophobicContact CD1-CD1 4.31Å; I439-F454 HydrophobicContact CD1-CE1 4.48Å; A450-F454 WeakPolarHBondContact O-CB 3.3Å; A450-F454 PolarHBondContact O-N 2.95Å; C451-F454 WeakPolarHBondContact O-CB 3.41Å; C451-F454 PolarHBondContact O-N 3.49Å; I452-F454 VanDerWaalsContact C-N 3.31Å; I452-F454 PolarHBondContact O-N 2.83Å; F454-V456 VanDerWaalsContact C-N 3.34Å; F454-V456 PolarHBondContact O-N 3.45Å; F454-E457 PolarHBondContact O-N 3.36Å; F454-V458 HydrophobicContact CD1-CG2 4.48Å; F454-V458 HydrophobicContact CD2-CG2 4.37Å; F454-V458 HydrophobicContact CE1-CG2 4.13Å; F454-V458 HydrophobicContact CE2-CG2 4.03Å; F454-V458 HydrophobicContact CZ-CG2 3.9Å; F454-V458 WeakPolarHBondContact O-CG2 3.15Å; F454-V458 PolarHBondContact O-N 2.94Å
455I92.6Very high88.4Confident0 Ų038.3 Ų38.30%022%0.22CC..Hα-helixtrans-62.5-39.1177.9-77.8163.6000112L436 I439 C451 I452 R453 V458 L459 L485 L488 L489 M498 L501L436-I455 HydrophobicContact CD2-CG1 4.39Å; I439-I455 HydrophobicContact CG2-CD1 4.4Å; C451-I455 WeakPolarHBondContact O-CB 3.35Å; C451-I455 WeakPolarHBondContact O-CG1 3.27Å; C451-I455 PolarHBondContact O-N 3.22Å; I452-I455 PolarHBondContact O-N 2.98Å; R453-I455 PolarHBondContact O-N 3.08Å; I455-V458 PolarHBondContact O-N 2.91Å; I455-L459 WeakPolarHBondContact O-CB 3.38Å; I455-L459 PolarHBondContact O-N 3.28Å; I455-L485 HydrophobicContact CG1-CD1 4.41Å; I455-L485 HydrophobicContact CG2-CD1 4.23Å; I455-L488 HydrophobicContact CD1-CD2 3.78Å; I455-L489 HydrophobicContact CG2-CD2 3.78Å; I455-M498 HydrophobicContact CD1-CE 3.27Å; I455-M498 HydrophobicContact CD1-SD 3.96Å; I455-L501 HydrophobicContact CG2-CD1 4.24Å
456V92.9Very high88.7Confident53 Ų5338.6 Ų38.632%0.32123%0.225SC..Hα-helixtrans-61.2-45.8176.9169.10000111.3I452 R453 F454 L459 G460 L501I452-V456 HydrophobicContact CG2-CG2 4.37Å; I452-V456 VanDerWaalsContact O-CG2 3.29Å; I452-V456 WeakPolarHBondContact O-CG2 3.08Å; I452-V456 PolarHBondContact O-N 3.29Å; R453-V456 PolarHBondContact O-N 3.32Å; F454-V456 VanDerWaalsContact C-N 3.34Å; F454-V456 PolarHBondContact O-N 3.45Å; V456-L459 PolarHBondContact O-N 3.05Å; V456-G460 PolarHBondContact O-N 3.11Å; V456-L501 HydrophobicContact CG2-CD1 3.64Å; V456-L501 HydrophobicContact CG2-CD2 4.11Å
457E92.4Very high89.1Confident71 Ų7142 Ų4233%0.33224%0.24SC..Hα-helixtrans-65.1-46.6178.1-67.4-60.6154.900111.5V417 L418 S421 W427 R453 F454 L459 G460 F461V417-E457 HydrophobicContact CG1-CB 3.57Å; V417-E457 HydrophobicContact CG1-CG 4.42Å; L418-E457 HydrophobicContact CD2-CG 4.24Å; S421-E457 VanDerWaalsContact CB-OE2 3.25Å; S421-E457 WeakPolarHBondContact CB-OE2 3.46Å; W427-E457 HydrophobicContact CH2-CB 4.46Å; R453-E457 WeakPolarHBondContact O-CG 3.18Å; R453-E457 PolarHBondContact O-N 2.53Å; R453-E457 VanDerWaalsContact O-N 3.1Å; F454-E457 PolarHBondContact O-N 3.36Å; E457-L459 PolarHBondContact O-N 3.43Å; E457-G460 PolarHBondContact O-N 3.39Å; E457-G460 VanDerWaalsContact O-N 3.14Å; E457-F461 PolarHBondContact O-N 2.98Å
458V93.1Very high89.5Confident0 Ų037.2 Ų37.20%021%0.209CC..Hα-helixtrans-62.9-42.8177.7-179.30000111V417 W427 V432 F454 I455 G460 F461 F462 L485V417-V458 HydrophobicContact CG1-CG2 3.97Å; V417-V458 HydrophobicContact CG2-CG2 4.27Å; W427-V458 HydrophobicContact CZ3-CG2 4.3Å; V432-V458 HydrophobicContact CG1-CG1 4.19Å; V432-V458 HydrophobicContact CG1-CG2 4.1Å; F454-V458 HydrophobicContact CD1-CG2 4.48Å; F454-V458 HydrophobicContact CD2-CG2 4.37Å; F454-V458 HydrophobicContact CE1-CG2 4.13Å; F454-V458 HydrophobicContact CE2-CG2 4.03Å; F454-V458 HydrophobicContact CZ-CG2 3.9Å; F454-V458 WeakPolarHBondContact O-CG2 3.15Å; F454-V458 PolarHBondContact O-N 2.94Å; I455-V458 PolarHBondContact O-N 2.91Å; V458-G460 VanDerWaalsContact C-N 3.28Å; V458-G460 PolarHBondContact O-N 2.87Å; V458-F461 WeakPolarHBondContact O-CB 3.43Å; V458-F461 PolarHBondContact O-N 3.09Å; V458-F462 HydrophobicContact CG1-CD2 4.24Å; V458-F462 HydrophobicContact CG1-CE2 3.93Å; V458-F462 VanDerWaalsContact O-CD2 3.3Å; V458-F462 WeakPolarHBondContact O-CD2 3.33Å; V458-L485 HydrophobicContact CG1-CD2 4.04Å
459L92.9Very high89.4Confident1 Ų138.6 Ų38.61%0.00521%0.21CC..Hα-helixtrans-64.4-35.5175.6-172.565.2000111.3I455 V456 E457 F461 F462 K463 L485 L489 L501 F505I455-L459 WeakPolarHBondContact O-CB 3.38Å; I455-L459 PolarHBondContact O-N 3.28Å; V456-L459 PolarHBondContact O-N 3.05Å; E457-L459 PolarHBondContact O-N 3.43Å; L459-F461 PolarHBondContact O-N 3.19Å; L459-F462 CarbonylContact O-C 3.6Å; L459-F462 PolarHBondContact O-N 3.43Å; L459-K463 WeakPolarHBondContact O-CG 3.3Å; L459-K463 PolarHBondContact O-N 2.9Å; L459-L485 HydrophobicContact CB-CD2 4.11Å; L459-L485 HydrophobicContact CD1-CD2 3.84Å; L459-L489 HydrophobicContact CD1-CD1 4.16Å; L459-L489 HydrophobicContact CD2-CD1 4.23Å; L459-L501 HydrophobicContact CD2-CB 3.78Å; L459-L501 HydrophobicContact CD2-CD2 4.45Å; L459-F505 HydrophobicContact CD1-CB 4.24Å; L459-F505 HydrophobicContact CD1-CD1 4.42Å; L459-F505 HydrophobicContact CD1-CD2 3.88Å; L459-F505 HydrophobicContact CD1-CE2 4.31Å; L459-F505 HydrophobicContact CD1-CG 3.93Å; L459-F505 HydrophobicContact CD2-CB 4.39Å
460G91.6Very high89.2Confident31 Ų3141.6 Ų41.632%0.3222%0.215SC..Hα-helixtrans-55.7-37.8174.800000113.3V456 E457 V458V456-G460 PolarHBondContact O-N 3.11Å; E457-G460 PolarHBondContact O-N 3.39Å; E457-G460 VanDerWaalsContact O-N 3.14Å; V458-G460 VanDerWaalsContact C-N 3.28Å; V458-G460 PolarHBondContact O-N 2.87Å
461F92.3Very high89.2Confident12 Ų1241.6 Ų41.65%0.05321%0.208CC..Hα-helixtrans-64.3-41.6173.7169.9-99.5000112.9P424 W427 W429 E457 V458 L459 Q467 F468 L471 Y478P424-F461 HydrophobicContact CB-CD2 3.49Å; P424-F461 VanDerWaalsContact CB-CD2 3.49Å; P424-F461 HydrophobicContact CB-CE2 3.76Å; P424-F461 HydrophobicContact CB-CG 4.39Å; P424-F461 HydrophobicContact CG-CD2 3.7Å; P424-F461 HydrophobicContact CG-CE2 4.27Å; W427-F461 HydrophobicContact CH2-CB 4.35Å; W427-F461 HydrophobicContact CZ3-CB 4.19Å; W429-F461 HydrophobicContact CH2-CB 4.46Å; W429-F461 AromaticContact CH2-CD1 3.43Å; W429-F461 HydrophobicContact CH2-CD1 3.43Å; W429-F461 VanDerWaalsContact CH2-CD1 3.43Å; W429-F461 HydrophobicContact CH2-CD2 4.42Å; W429-F461 AromaticContact CH2-CE1 3.6Å; W429-F461 HydrophobicContact CH2-CE1 3.6Å; W429-F461 AromaticContact CH2-CG 3.86Å; W429-F461 HydrophobicContact CH2-CG 3.86Å; W429-F461 HydrophobicContact CH2-CZ 4.16Å; W429-F461 HydrophobicContact CZ2-CD1 4.1Å; W429-F461 HydrophobicContact CZ2-CD2 4.39Å; W429-F461 AromaticContact CZ2-CE1 3.99Å; W429-F461 HydrophobicContact CZ2-CE1 3.99Å; W429-F461 HydrophobicContact CZ2-CE2 4.29Å; W429-F461 HydrophobicContact CZ2-CG 4.27Å; W429-F461 HydrophobicContact CZ2-CZ 4.07Å; W429-F461 HydrophobicContact CZ3-CD1 4.33Å; W429-F461 HydrophobicContact CZ3-CE1 4.42Å; E457-F461 PolarHBondContact O-N 2.98Å; V458-F461 WeakPolarHBondContact O-CB 3.43Å; V458-F461 PolarHBondContact O-N 3.09Å; L459-F461 PolarHBondContact O-N 3.19Å; F461-Q467 HydrophobicContact CD2-CB 4.16Å; F461-Q467 HydrophobicContact CE2-CB 4.04Å; F461-F468 HydrophobicContact CD1-CB 4.18Å; F461-F468 HydrophobicContact CE1-CB 3.82Å; F461-F468 AromaticContact CE1-CD2 3.78Å; F461-F468 HydrophobicContact CE1-CD2 3.78Å; F461-F468 HydrophobicContact CE1-CG 4.21Å; F461-F468 HydrophobicContact CE2-CB 4.5Å; F461-F468 HydrophobicContact CZ-CB 4.01Å; F461-F468 HydrophobicContact CZ-CD2 4.13Å; F461-F468 WeakPolarHBondContact O-CB 3.48Å; F461-F468 PolarHBondContact O-N 3.46Å; F461-L471 HydrophobicContact CZ-CD1 3.91Å; F461-Y478 HydrophobicContact CE1-CG 4.44Å; F461-Y478 HydrophobicContact CZ-CG 4.44Å
462F93.2Very high88.8Confident1 Ų146.3 Ų46.30%0.00424%0.238CC..Hα-helixtrans-81.5-15.4-179-71-68.1000114.1W429 V458 L459 F468 Y478 V481 L485 F505 Y536 M539W429-F462 HydrophobicContact CZ3-CE2 4.24Å; W429-F462 HydrophobicContact CZ3-CZ 4.24Å; V458-F462 HydrophobicContact CG1-CD2 4.24Å; V458-F462 HydrophobicContact CG1-CE2 3.93Å; V458-F462 VanDerWaalsContact O-CD2 3.3Å; V458-F462 WeakPolarHBondContact O-CD2 3.33Å; L459-F462 CarbonylContact O-C 3.6Å; L459-F462 PolarHBondContact O-N 3.43Å; F462-F468 HydrophobicContact CD1-CB 4.2Å; F462-F468 HydrophobicContact CD1-CD1 4.07Å; F462-F468 AromaticContact CD1-CD2 3.87Å; F462-F468 HydrophobicContact CD1-CD2 3.87Å; F462-F468 HydrophobicContact CD1-CE1 4.43Å; F462-F468 HydrophobicContact CD1-CE2 4.25Å; F462-F468 AromaticContact CD1-CG 3.77Å; F462-F468 HydrophobicContact CD1-CG 3.77Å; F462-F468 AromaticContact CE1-CD2 3.75Å; F462-F468 HydrophobicContact CE1-CD2 3.75Å; F462-F468 AromaticContact CE1-CE2 3.91Å; F462-F468 HydrophobicContact CE1-CE2 3.91Å; F462-F468 HydrophobicContact CE1-CG 4.16Å; F462-F468 HydrophobicContact CE1-CZ 4.42Å; F462-Y478 VanDerWaalsContact CE1-O 3.3Å; F462-Y478 WeakPolarHBondContact CE1-O 3.41Å; F462-Y478 WeakPolarHBondContact CZ-O 3.4Å; F462-V481 HydrophobicContact CE2-CG1 4.22Å; F462-V481 HydrophobicContact CZ-CB 4.29Å; F462-V481 HydrophobicContact CZ-CG1 4.26Å; F462-L485 HydrophobicContact CD2-CD2 3.86Å; F462-L485 HydrophobicContact CE2-CD2 4.36Å; F462-F505 HydrophobicContact CB-CE2 4.4Å; F462-F505 WeakPolarHBondContact O-CE2 3.49Å; F462-Y536 VanDerWaalsContact O-CE1 3.23Å; F462-Y536 WeakPolarHBondContact O-CE1 3.1Å; F462-Y536 PolarHBondContact O-OH 2.92Å; F462-M539 HydrophobicContact CD1-CE 3.69Å; F462-M539 HydrophobicContact CE1-CE 4.07Å; F462-M539 HydrophobicContact CG-CE 4.47Å
463K90.7Very high88.3Confident39 Ų3948.7 Ų48.717%0.1726%0.257CS..SBendtrans-53.9148.2176.3-80.5178.8-179.6-177.50110.6L459 S465 G466 F505 Y536L459-K463 WeakPolarHBondContact O-CG 3.3Å; L459-K463 PolarHBondContact O-N 2.9Å; K463-S465 PolarHBondContact O-N 3.1Å; K463-G466 WeakPolarHBondContact O-CA 3.41Å; K463-G466 PolarHBondContact O-N 3.26Å; K463-F505 HydrophobicContact CG-CD2 4.21Å; K463-Y536 PolarHBondContact O-OH 3.42Å
464P84.9Confident87.5Confident10 Ų1047.4 Ų47.47%0.06526%0.263CS..THydrogen-bonded Turntrans-56.6-24.4175.7-2836000114.7G466 R469 Q508 I509 L512P464-G466 VanDerWaalsContact C-N 3.34Å; P464-R469 WeakPolarHBondContact O-CD 3.34Å; P464-R469 PolarHBondContact O-NE 2.96Å; P464-R469 PolarHBondContact O-NH1 3.38Å; P464-Q508 HydrophobicContact CG-CB 3.92Å; P464-I509 HydrophobicContact CG-CG1 4.15Å; P464-L512 HydrophobicContact CB-CD1 4.04Å; P464-L512 HydrophobicContact CB-CD2 4.36Å
465S83.9Confident87.2Confident91 Ų9149.2 Ų49.264%0.63627%0.271SS*.THydrogen-bonded Turntrans-79.1-14.9171.952.10000114.1K463K463-S465 PolarHBondContact O-N 3.1Å
466G85Confident86.8Confident13 Ų1352.3 Ų52.313%0.13428%0.282CS..SBendtrans-77.1-173.6-176.300000114.8K463 P464K463-G466 WeakPolarHBondContact O-CA 3.41Å; K463-G466 PolarHBondContact O-N 3.26Å; P464-G466 VanDerWaalsContact C-N 3.34Å
467Q86.4Confident86.4Confident84 Ų8459.5 Ų59.539%0.39330%0.304SS..SBendtrans-82-22.8-175.8-65.7-177.36.100113.1F461 R469 K470F461-Q467 HydrophobicContact CD2-CB 4.16Å; F461-Q467 HydrophobicContact CE2-CB 4.04Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.03Å; Q467-K470 WeakPolarHBondContact O-CB 3.44Å; Q467-K470 PolarHBondContact O-N 3.21Å
468F88Confident86.4Confident0 Ų058.9 Ų58.90%030%0.299CS..G310 helixtrans-52-47.7-175.5177.2-110.4000112.7F461 F462 K470 L471 A532 D535 Y536 M539F461-F468 HydrophobicContact CD1-CB 4.18Å; F461-F468 HydrophobicContact CE1-CB 3.82Å; F461-F468 AromaticContact CE1-CD2 3.78Å; F461-F468 HydrophobicContact CE1-CD2 3.78Å; F461-F468 HydrophobicContact CE1-CG 4.21Å; F461-F468 HydrophobicContact CE2-CB 4.5Å; F461-F468 HydrophobicContact CZ-CB 4.01Å; F461-F468 HydrophobicContact CZ-CD2 4.13Å; F461-F468 WeakPolarHBondContact O-CB 3.48Å; F461-F468 PolarHBondContact O-N 3.46Å; F462-F468 HydrophobicContact CD1-CB 4.2Å; F462-F468 HydrophobicContact CD1-CD1 4.07Å; F462-F468 AromaticContact CD1-CD2 3.87Å; F462-F468 HydrophobicContact CD1-CD2 3.87Å; F462-F468 HydrophobicContact CD1-CE1 4.43Å; F462-F468 HydrophobicContact CD1-CE2 4.25Å; F462-F468 AromaticContact CD1-CG 3.77Å; F462-F468 HydrophobicContact CD1-CG 3.77Å; F462-F468 AromaticContact CE1-CD2 3.75Å; F462-F468 HydrophobicContact CE1-CD2 3.75Å; F462-F468 AromaticContact CE1-CE2 3.91Å; F462-F468 HydrophobicContact CE1-CE2 3.91Å; F462-F468 HydrophobicContact CE1-CG 4.16Å; F462-F468 HydrophobicContact CE1-CZ 4.42Å; F468-K470 PolarHBondContact O-N 3.12Å; F468-L471 HydrophobicContact CD2-CD1 4.16Å; F468-L471 WeakPolarHBondContact O-CB 3.49Å; F468-L471 PolarHBondContact O-N 3.27Å; F468-L471 VanDerWaalsContact O-N 3.08Å; F468-A532 HydrophobicContact CD1-CB 4.39Å; F468-A532 HydrophobicContact CD2-CB 4.11Å; F468-A532 HydrophobicContact CE1-CB 3.99Å; F468-A532 VanDerWaalsContact CE1-O 3.27Å; F468-A532 WeakPolarHBondContact CE1-O 3.33Å; F468-A532 HydrophobicContact CE2-CB 3.69Å; F468-A532 HydrophobicContact CG-CB 4.45Å; F468-A532 HydrophobicContact CZ-CB 3.63Å; F468-A532 WeakPolarHBondContact CZ-O 3.4Å; F468-A532 WeakPolarHBondContact O-CB 3.29Å; F468-D535 HydrophobicContact CZ-CB 4.08Å; F468-Y536 HydrophobicContact CD1-CE1 4.16Å; F468-Y536 HydrophobicContact CD1-CE2 4.41Å; F468-Y536 AromaticContact CD1-CZ 3.87Å; F468-Y536 HydrophobicContact CE1-CE1 4.42Å; F468-M539 HydrophobicContact CD1-CE 4.49Å; F468-M539 HydrophobicContact CE1-CE 3.83Å; F468-M539 HydrophobicContact CZ-CE 4.01Å
469R82.8Confident86.3Confident78 Ų7858.9 Ų58.929%0.29430%0.299SS..G310 helixtrans-59-21.3-179.668.7170.2174.3179.22.5114.7P464 Q467 A533 Y536P464-R469 WeakPolarHBondContact O-CD 3.34Å; P464-R469 PolarHBondContact O-NE 2.96Å; P464-R469 PolarHBondContact O-NH1 3.38Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.03Å; R469-A533 HydrophobicContact CB-CB 4.4Å; R469-Y536 HydrophobicContact CB-CE2 4.33Å
470K83.3Confident86.1Confident146 Ų14662.3 Ų62.364%0.63531%0.312SS*.G310 helixtrans-88.1-9.3-176.9-59.3-176.6-179.2179.70112.6Q467 F468 T472Q467-K470 WeakPolarHBondContact O-CB 3.44Å; Q467-K470 PolarHBondContact O-N 3.21Å; F468-K470 PolarHBondContact O-N 3.12Å; K470-T472 PolarHBondContact O-N 3.25Å
471L85.7Confident86.2Confident41 Ų4161.1 Ų61.122%0.21530%0.298CS..  trans-72.3127.1-178.6-66.4175000110.4F461 F468 F475 Y478 T531 A532F461-L471 HydrophobicContact CZ-CD1 3.91Å; F468-L471 HydrophobicContact CD2-CD1 4.16Å; F468-L471 WeakPolarHBondContact O-CB 3.49Å; F468-L471 PolarHBondContact O-N 3.27Å; F468-L471 VanDerWaalsContact O-N 3.08Å; L471-F475 HydrophobicContact CB-CB 4.04Å; L471-F475 HydrophobicContact CD1-CB 4.22Å; L471-Y478 HydrophobicContact CD1-CD2 3.49Å; L471-Y478 VanDerWaalsContact CD1-CD2 3.49Å; L471-Y478 HydrophobicContact CD1-CE2 3.78Å; L471-Y478 HydrophobicContact CD1-CG 4.37Å; L471-T531 CarbonylContact O-C 3.58Å; L471-T531 VanDerWaalsContact O-CA 3.31Å; L471-T531 WeakPolarHBondContact O-CA 3.21Å; L471-A532 HydrophobicContact CB-CB 4.07Å; L471-A532 PolarHBondContact O-N 3.31Å
472T80.5Confident86.2Confident100 Ų10060.5 Ų60.561%0.61330%0.296SS*.  trans-108.2-13-179.253.60000113.6K470 C530 T531K470-T472 PolarHBondContact O-N 3.25Å; T472-C530 WeakPolarHBondContact CA-O 3.41Å; T472-T531 HydrophobicContact CG2-CG2 4.26Å
473S78.4Confident86.2Confident78 Ų7860.5 Ų60.555%0.54530%0.295SS..SBendtrans-138.7148.8-178.763.80000112.4F475S473-F475 PolarHBondContact O-N 3.27Å
474N74.8Confident86.2Confident146 Ų14660 Ų6078%0.78129%0.293SS*.SBendtrans5224.3173-66.1-32.1000116.2R476N474-R476 VanDerWaalsContact C-N 3.25Å; N474-R476 PolarHBondContact O-N 2.92Å
475F85.1Confident86.6Confident39 Ų3959.5 Ų59.517%0.17129%0.29CS..THydrogen-bonded Turntrans-75-12.3-173.253.9-100.8000114.6L471 S473 R477 Y478 S479 A532 I534 D535L471-F475 HydrophobicContact CB-CB 4.04Å; L471-F475 HydrophobicContact CD1-CB 4.22Å; S473-F475 PolarHBondContact O-N 3.27Å; F475-R477 PolarHBondContact O-N 3.33Å; F475-R477 VanDerWaalsContact O-N 3.1Å; F475-Y478 HydrophobicContact CB-CD2 4.27Å; F475-Y478 WeakPolarHBondContact O-CA 3.37Å; F475-Y478 WeakPolarHBondContact O-CB 3.44Å; F475-Y478 PolarHBondContact O-N 3.28Å; F475-S479 PolarHBondContact O-N 2.95Å; F475-S479 PolarHBondContact O-OG 3.16Å; F475-S479 VanDerWaalsContact O-OG 3.11Å; F475-A532 HydrophobicContact CB-CB 3.57Å; F475-A532 HydrophobicContact CD1-CB 3.85Å; F475-A532 HydrophobicContact CD2-CB 3.55Å; F475-A532 HydrophobicContact CE1-CB 4.41Å; F475-A532 HydrophobicContact CE2-CB 4.16Å; F475-A532 HydrophobicContact CG-CB 3.37Å; F475-I534 HydrophobicContact CE2-CG2 4.26Å; F475-I534 HydrophobicContact CZ-CG2 4.43Å; F475-D535 WeakPolarHBondContact CD2-OD2 3.49Å; F475-D535 WeakPolarHBondContact CE2-OD2 3.47Å
476R84.4Confident87Confident64 Ų6455.3 Ų55.324%0.24226%0.261CS..Hα-helixtrans-51.8-37.9-177.6-173.7176.5-176.8161.911.6114.3I373 P374 E380 N474 S479 R480I373-R476 VanDerWaalsContact CG2-NH2 3.26Å; P374-R476 PolarHBondContact O-NH1 3.01Å; P374-R476 PolarHBondContact O-NH2 3.43Å; E380-R476 IonicContact OE2-CZ 3.12Å; E380-R476 IonicContact OE2-NE 3.66Å; E380-R476 IonicContact OE2-NH2 3.08Å; E380-R476 PolarHBondContact OE2-NH2 3.11Å; N474-R476 VanDerWaalsContact C-N 3.25Å; N474-R476 PolarHBondContact O-N 2.92Å; R476-S479 PolarHBondContact O-N 3.14Å; R476-R480 PolarHBondContact O-N 3.2Å
477R85.9Confident87.2Confident204 Ų20455.3 Ų55.377%0.7726%0.259SS*.Hα-helixtrans-63.6-44177.4-68-178-177.4167.40.9110.9F475 R480 V481F475-R477 PolarHBondContact O-N 3.33Å; F475-R477 VanDerWaalsContact O-N 3.1Å; R477-R480 PolarHBondContact O-N 3.21Å; R477-V481 WeakPolarHBondContact O-CG2 3.24Å; R477-V481 PolarHBondContact O-N 2.57Å
478Y90.8Very high87.4Confident58 Ų5851.5 Ų51.523%0.22724%0.242CC..Hα-helixtrans-65.3-42.4175-49.8-57.1000111.1W429 F461 F462 L471 F475 R480 V481 G482W429-Y478 HydrophobicContact CB-CE1 4.34Å; W429-Y478 AromaticContact CD1-CE1 3.47Å; W429-Y478 VanDerWaalsContact CD1-CE1 3.47Å; W429-Y478 AromaticContact CD2-CD1 3.54Å; W429-Y478 HydrophobicContact CD2-CD1 3.54Å; W429-Y478 AromaticContact CD2-CE1 3.57Å; W429-Y478 HydrophobicContact CD2-CE1 3.57Å; W429-Y478 AromaticContact CE2-CD1 3.66Å; W429-Y478 AromaticContact CE2-CE1 3.49Å; W429-Y478 VanDerWaalsContact CE2-CE1 3.49Å; W429-Y478 AromaticContact CE3-CD1 3.88Å; W429-Y478 HydrophobicContact CE3-CD1 3.88Å; W429-Y478 HydrophobicContact CE3-CE1 4.37Å; W429-Y478 AromaticContact CG-CD1 3.9Å; W429-Y478 HydrophobicContact CG-CD1 3.9Å; W429-Y478 AromaticContact CG-CE1 3.52Å; W429-Y478 HydrophobicContact CG-CE1 3.52Å; W429-Y478 HydrophobicContact CH2-CD1 4.38Å; W429-Y478 HydrophobicContact CZ2-CD1 4.08Å; W429-Y478 HydrophobicContact CZ2-CE1 4.2Å; W429-Y478 HydrophobicContact CZ3-CD1 4.29Å; W429-Y478 AromaticContact NE1-CE1 3.42Å; F461-Y478 HydrophobicContact CE1-CG 4.44Å; F461-Y478 HydrophobicContact CZ-CG 4.44Å; F462-Y478 VanDerWaalsContact CE1-O 3.3Å; F462-Y478 WeakPolarHBondContact CE1-O 3.41Å; F462-Y478 WeakPolarHBondContact CZ-O 3.4Å; L471-Y478 HydrophobicContact CD1-CD2 3.49Å; L471-Y478 VanDerWaalsContact CD1-CD2 3.49Å; L471-Y478 HydrophobicContact CD1-CE2 3.78Å; L471-Y478 HydrophobicContact CD1-CG 4.37Å; F475-Y478 HydrophobicContact CB-CD2 4.27Å; F475-Y478 WeakPolarHBondContact O-CA 3.37Å; F475-Y478 WeakPolarHBondContact O-CB 3.44Å; F475-Y478 PolarHBondContact O-N 3.28Å; Y478-R480 VanDerWaalsContact C-N 3.3Å; Y478-R480 PolarHBondContact O-N 3.11Å; Y478-V481 CarbonylContact O-C 3.54Å; Y478-V481 WeakPolarHBondContact O-CB 3.43Å; Y478-V481 PolarHBondContact O-N 3.45Å; Y478-V481 VanDerWaalsContact O-N 3.08Å; Y478-G482 PolarHBondContact O-N 3.25Å
479S91Very high87.6Confident0 Ų051.5 Ų51.50%024%0.242CC..Hα-helixtrans-59.2-39.4178.8-510000112.7L377 F475 R476 G482 C483 D535L377-S479 VanDerWaalsContact CD2-CB 3.46Å; F475-S479 PolarHBondContact O-N 2.95Å; F475-S479 PolarHBondContact O-OG 3.16Å; F475-S479 VanDerWaalsContact O-OG 3.11Å; R476-S479 PolarHBondContact O-N 3.14Å; S479-G482 PolarHBondContact O-N 3.46Å; S479-C483 PolarHBondContact O-N 3.14Å; S479-C483 PolarHBondContact O-SG 3.31Å; S479-D535 WeakPolarHBondContact CB-OD2 3.35Å; S479-D535 WeakPolarHBondContact OG-CB 3.42Å; S479-D535 VanDerWaalsContact OG-CG 3.31Å; S479-D535 PolarHBondContact OG-OD2 3.18Å
480R90.1Very high87.9Confident73 Ų7347.9 Ų47.928%0.27523%0.228SC..Hα-helixtrans-62.2-44.9173-75.6-178.5174.3167.90.5112.3L377 E380 R476 R477 Y478 G482 C483 K484L377-R480 HydrophobicContact CD1-CG 3.87Å; E380-R480 IonicContact OE1-CZ 2.7Å; E380-R480 IonicContact OE1-NE 3.53Å; E380-R480 PolarHBondContact OE1-NE 2.72Å; E380-R480 VanDerWaalsContact OE1-NE 3.14Å; E380-R480 IonicContact OE1-NH2 3.32Å; E380-R480 PolarHBondContact OE1-NH2 2.71Å; E380-R480 IonicContact OE2-CZ 3.57Å; E380-R480 IonicContact OE2-NE 2.67Å; E380-R480 PolarHBondContact OE2-NE 2.81Å; E380-R480 IonicContact OE2-NH2 3.42Å; E380-R480 PolarHBondContact OE2-NH2 3.48Å; R476-R480 PolarHBondContact O-N 3.2Å; R477-R480 PolarHBondContact O-N 3.21Å; Y478-R480 VanDerWaalsContact C-N 3.3Å; Y478-R480 PolarHBondContact O-N 3.11Å; R480-G482 VanDerWaalsContact C-N 3.31Å; R480-G482 PolarHBondContact O-N 3.43Å; R480-C483 PolarHBondContact O-N 3.48Å; R480-K484 PolarHBondContact O-N 2.95Å
481V92.2Very high88Confident6 Ų646.1 Ų46.14%0.03622%0.222CC..Hα-helixtrans-61.1-42.1175.4174.40000110.6W429 V432 D433 L436 F462 R477 Y478 K484 L485W429-V481 HydrophobicContact CE3-CG1 4.23Å; W429-V481 HydrophobicContact CZ3-CG1 4.18Å; V432-V481 HydrophobicContact CG1-CG1 3.9Å; D433-V481 HydrophobicContact CB-CG2 3.96Å; L436-V481 HydrophobicContact CD1-CG1 3.68Å; F462-V481 HydrophobicContact CE2-CG1 4.22Å; F462-V481 HydrophobicContact CZ-CB 4.29Å; F462-V481 HydrophobicContact CZ-CG1 4.26Å; R477-V481 WeakPolarHBondContact O-CG2 3.24Å; R477-V481 PolarHBondContact O-N 2.57Å; Y478-V481 CarbonylContact O-C 3.54Å; Y478-V481 WeakPolarHBondContact O-CB 3.43Å; Y478-V481 PolarHBondContact O-N 3.45Å; Y478-V481 VanDerWaalsContact O-N 3.08Å; V481-K484 PolarHBondContact O-N 2.68Å; V481-L485 WeakPolarHBondContact O-CB 3.49Å; V481-L485 PolarHBondContact O-N 2.78Å
482G93.5Very high88.1Confident0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-63.6-42.4176.700000112.9Y478 S479 R480 K484 L485 V486Y478-G482 PolarHBondContact O-N 3.25Å; S479-G482 PolarHBondContact O-N 3.46Å; R480-G482 VanDerWaalsContact C-N 3.31Å; R480-G482 PolarHBondContact O-N 3.43Å; G482-K484 PolarHBondContact O-N 3.46Å; G482-L485 PolarHBondContact O-N 3.06Å; G482-V486 WeakPolarHBondContact O-CG2 3.39Å; G482-V486 PolarHBondContact O-N 3.19Å
483C92.1Very high88.2Confident0 Ų042.9 Ų42.90%021%0.205CC..Hα-helixtrans-61.3-43.9174.3-64.90000111.6L391 S479 R480 V486 A487 Q542L391-C483 HydrophobicContact CD1-CB 4.39Å; S479-C483 PolarHBondContact O-N 3.14Å; S479-C483 PolarHBondContact O-SG 3.31Å; R480-C483 PolarHBondContact O-N 3.48Å; C483-V486 PolarHBondContact O-N 3.05Å; C483-A487 WeakPolarHBondContact O-CB 3.11Å; C483-A487 PolarHBondContact O-N 2.86Å; C483-Q542 HydrophobicContact CB-CB 4.32Å; C483-Q542 HydrophobicContact CB-CG 4.25Å
484K90.7Very high88.2Confident28 Ų2842.2 Ų42.212%0.12220%0.2CC..Hα-helixtrans-63.1-43174.8-77.9-176.5178.3-176.90112.7L391 D433 T437 R480 V481 G482 V486 A487 L488L391-K484 HydrophobicContact CD2-CG 4.1Å; D433-K484 VanDerWaalsContact CG-NZ 3.26Å; D433-K484 WeakPolarHBondContact OD1-CD 3.17Å; D433-K484 WeakPolarHBondContact OD1-CE 3.43Å; D433-K484 IonicContact OD1-NZ 3.41Å; D433-K484 PolarHBondContact OD1-NZ 3.3Å; D433-K484 IonicContact OD2-NZ 3.78Å; D433-K484 PolarHBondContact OD2-NZ 3.15Å; D433-K484 VanDerWaalsContact OD2-NZ 3.14Å; T437-K484 PolarHBondContact OG1-NZ 3.1Å; R480-K484 PolarHBondContact O-N 2.95Å; V481-K484 PolarHBondContact O-N 2.68Å; G482-K484 PolarHBondContact O-N 3.46Å; K484-V486 VanDerWaalsContact C-N 3.34Å; K484-V486 PolarHBondContact O-N 3.43Å; K484-A487 PolarHBondContact O-N 3.46Å; K484-L488 WeakPolarHBondContact O-CB 3.04Å; K484-L488 PolarHBondContact O-N 2.99Å
485L93.9Very high88.5Confident1 Ų143 Ų431%0.00520%0.204CC..Hα-helixtrans-57.9-49.6177.7177.566.4000110.7L436 I455 V458 L459 F462 V481 G482 A487 L488 L489L436-L485 HydrophobicContact CD1-CB 4.08Å; L436-L485 HydrophobicContact CD1-CD1 4.38Å; L436-L485 HydrophobicContact CD2-CD1 3.75Å; I455-L485 HydrophobicContact CG1-CD1 4.41Å; I455-L485 HydrophobicContact CG2-CD1 4.23Å; V458-L485 HydrophobicContact CG1-CD2 4.04Å; L459-L485 HydrophobicContact CB-CD2 4.11Å; L459-L485 HydrophobicContact CD1-CD2 3.84Å; F462-L485 HydrophobicContact CD2-CD2 3.86Å; F462-L485 HydrophobicContact CE2-CD2 4.36Å; V481-L485 WeakPolarHBondContact O-CB 3.49Å; V481-L485 PolarHBondContact O-N 2.78Å; G482-L485 PolarHBondContact O-N 3.06Å; L485-A487 VanDerWaalsContact C-N 3.33Å; L485-A487 PolarHBondContact O-N 3.31Å; L485-L488 WeakPolarHBondContact O-CB 3.37Å; L485-L488 PolarHBondContact O-N 2.88Å; L485-L489 HydrophobicContact CG-CD1 4.39Å; L485-L489 WeakPolarHBondContact O-CG 3.42Å; L485-L489 PolarHBondContact O-N 3.35Å
486V92.4Very high88.5Confident2 Ų241.8 Ų41.81%0.01220%0.201CC..Hα-helixtrans-65.4-38.5-179.2172.60000111.2G482 C483 K484 L489 C490 L502 F505 M539 L543G482-V486 WeakPolarHBondContact O-CG2 3.39Å; G482-V486 PolarHBondContact O-N 3.19Å; C483-V486 PolarHBondContact O-N 3.05Å; K484-V486 VanDerWaalsContact C-N 3.34Å; K484-V486 PolarHBondContact O-N 3.43Å; V486-L489 PolarHBondContact O-N 3.48Å; V486-C490 WeakPolarHBondContact O-CB 3.43Å; V486-C490 PolarHBondContact O-N 2.86Å; V486-L502 HydrophobicContact CG1-CD1 4.03Å; V486-F505 HydrophobicContact CG2-CD1 4.35Å; V486-F505 HydrophobicContact CG2-CE1 3.79Å; V486-M539 HydrophobicContact CG2-CB 4.35Å; V486-M539 HydrophobicContact CG2-CG 4.48Å; V486-M539 HydrophobicContact CG2-SD 4.3Å; V486-L543 HydrophobicContact CG1-CD1 3.48Å; V486-L543 VanDerWaalsContact CG1-CD1 3.48Å; V486-L543 HydrophobicContact CG1-CD2 3.37Å; V486-L543 HydrophobicContact CG1-CG 3.26Å
487A89.5Confident88.7Confident13 Ų1343.1 Ų43.111%0.10721%0.212CC..Hα-helixtrans-61.2-45.3171.700000111.7C483 K484 L485 L489 C490 H491 Q542C483-A487 WeakPolarHBondContact O-CB 3.11Å; C483-A487 PolarHBondContact O-N 2.86Å; K484-A487 PolarHBondContact O-N 3.46Å; L485-A487 VanDerWaalsContact C-N 3.33Å; L485-A487 PolarHBondContact O-N 3.31Å; A487-L489 PolarHBondContact O-N 2.72Å; A487-C490 WeakPolarHBondContact O-CB 3.43Å; A487-C490 PolarHBondContact O-N 3.2Å; A487-C490 VanDerWaalsContact O-N 3.15Å; A487-H491 PolarHBondContact O-N 3.2Å; A487-H491 PolarHBondContact O-ND1 3.3Å; A487-Q542 HydrophobicContact CB-CG 4.07Å
488L90.7Very high88.8Confident5 Ų533.4 Ų33.43%0.02618%0.176CC..Hα-helixtrans-58.5-47.2176.5174.6149.9000111.7L436 I439 I455 K484 L485 C490 H491 A492 M498L436-L488 HydrophobicContact CD2-CD1 4.38Å; L436-L488 VanDerWaalsContact O-CD1 3.3Å; L436-L488 WeakPolarHBondContact O-CD1 3.48Å; I439-L488 HydrophobicContact CB-CD1 3.89Å; I439-L488 HydrophobicContact CG2-CD1 3.77Å; I455-L488 HydrophobicContact CD1-CD2 3.78Å; K484-L488 WeakPolarHBondContact O-CB 3.04Å; K484-L488 PolarHBondContact O-N 2.99Å; L485-L488 WeakPolarHBondContact O-CB 3.37Å; L485-L488 PolarHBondContact O-N 2.88Å; L488-C490 PolarHBondContact O-N 3Å; L488-H491 PolarHBondContact O-N 2.99Å; L488-H491 VanDerWaalsContact O-N 3.16Å; L488-A492 PolarHBondContact O-N 3.26Å; L488-M498 HydrophobicContact CD2-SD 4.12Å
489L91Very high88.7Confident0 Ų030.9 Ų30.90%017%0.166CC..Hα-helixtrans-62.6-32.3178.2-63.7174.8000112.2I455 L459 L485 V486 A487 A492 M498 L502I455-L489 HydrophobicContact CG2-CD2 3.78Å; L459-L489 HydrophobicContact CD1-CD1 4.16Å; L459-L489 HydrophobicContact CD2-CD1 4.23Å; L485-L489 HydrophobicContact CG-CD1 4.39Å; L485-L489 WeakPolarHBondContact O-CG 3.42Å; L485-L489 PolarHBondContact O-N 3.35Å; V486-L489 PolarHBondContact O-N 3.48Å; A487-L489 PolarHBondContact O-N 2.72Å; L489-A492 WeakPolarHBondContact O-CB 3.35Å; L489-A492 PolarHBondContact O-N 3.02Å; L489-M498 HydrophobicContact CD2-CB 3.73Å; L489-M498 HydrophobicContact CD2-CG 4.1Å; L489-L502 HydrophobicContact CB-CB 4.01Å; L489-L502 HydrophobicContact CB-CD1 4.3Å; L489-L502 HydrophobicContact CB-CD2 4.4Å; L489-L502 HydrophobicContact CB-CG 4.47Å; L489-L502 HydrophobicContact CD1-CB 4.38Å; L489-L502 HydrophobicContact CD1-CD1 4.44Å
490C89.3Confident88.7Confident1 Ų134.1 Ų34.11%0.00719%0.185CC..Hα-helixtrans-70.3-29.6177.3-173.90000113.5V486 A487 L488 L502 L543 G549V486-C490 WeakPolarHBondContact O-CB 3.43Å; V486-C490 PolarHBondContact O-N 2.86Å; A487-C490 WeakPolarHBondContact O-CB 3.43Å; A487-C490 PolarHBondContact O-N 3.2Å; A487-C490 VanDerWaalsContact O-N 3.15Å; L488-C490 PolarHBondContact O-N 3Å; C490-L502 HydrophobicContact CB-CD2 4.22Å; C490-L543 HydrophobicContact CB-CD2 3.62Å; C490-G549 WeakPolarHBondContact SG-CA 3.47Å; C490-G549 PolarHBondContact SG-N 3.37Å
491H86.6Confident88.8Confident109 Ų10931.2 Ų31.251%0.50518%0.175SC..Hα-helixtrans-86.1-9.7177.8-68.983.6000113.1A487 L488 H546A487-H491 PolarHBondContact O-N 3.2Å; A487-H491 PolarHBondContact O-ND1 3.3Å; L488-H491 PolarHBondContact O-N 2.99Å; L488-H491 VanDerWaalsContact O-N 3.16Å; H491-H546 AromaticContact CE1-CD2 3.99Å; H491-H546 AromaticContact CE1-CE1 3.35Å; H491-H546 PolarHBondContact CE1-CE1 2.81Å; H491-H546 AromaticContact CE1-CG 3.96Å; H491-H546 AromaticContact CE1-ND1 3.56Å; H491-H546 AromaticContact CE1-NE2 3.61Å; H491-H546 AromaticContact NE2-CE1 3.69Å; H491-H546 AromaticContact NE2-ND1 3.63Å
492A86.3Confident88.9Confident3 Ų331 Ų313%0.02517%0.173CC..SBendtrans-65.6152.2176.700000111.5L488 L489 S496 M498L488-A492 PolarHBondContact O-N 3.26Å; L489-A492 WeakPolarHBondContact O-CB 3.35Å; L489-A492 PolarHBondContact O-N 3.02Å; A492-S496 WeakPolarHBondContact CB-OG 3.34Å; A492-M498 HydrophobicContact CB-CB 3.63Å; A492-M498 HydrophobicContact CB-CG 4.5Å; A492-M498 HydrophobicContact CB-SD 4.25Å
493P83.8Confident88.8Confident70 Ų7035.1 Ų35.146%0.45519%0.189SC..  trans-55.6143.4179-21.430.1000112D495 S496 R499P493-D495 PolarHBondContact O-N 3.23Å; P493-D495 VanDerWaalsContact O-N 3.08Å; P493-S496 WeakPolarHBondContact O-CB 3.46Å; P493-S496 PolarHBondContact O-N 3.29Å; P493-S496 PolarHBondContact O-OG 3.11Å; P493-R499 WeakPolarHBondContact O-CG 3.4Å
494C77.3Confident88.8Confident65 Ų6539.2 Ų39.244%0.43921%0.208SC..THydrogen-bonded Turntrans-50.7-37.8-173.2-71.10000115R499C494-R499 WeakPolarHBondContact O-CB 3.43Å; C494-R499 PolarHBondContact SG-NH2 3.39Å; C494-R499 VanDerWaalsContact SG-NH2 3.39Å
495D81Confident89Confident161 Ų16138 Ų3886%0.86120%0.203SC*.THydrogen-bonded Turntrans-98.310.3-177.8-56.3-40.4000113.4P493P493-D495 PolarHBondContact O-N 3.23Å; P493-D495 VanDerWaalsContact O-N 3.08Å
496S86.1Confident88.9Confident14 Ų1438 Ų3810%0.09820%0.203CC..SBendtrans-75.1153.5178.169.50000111.9A492 P493 M498 R499 V500A492-S496 WeakPolarHBondContact CB-OG 3.34Å; P493-S496 WeakPolarHBondContact O-CB 3.46Å; P493-S496 PolarHBondContact O-N 3.29Å; P493-S496 PolarHBondContact O-OG 3.11Å; S496-M498 PolarHBondContact O-N 3.22Å; S496-R499 PolarHBondContact O-N 2.97Å; S496-R499 PolarHBondContact OG-N 3.15Å; S496-V500 PolarHBondContact O-N 3.29Å
497L87.9Confident88.7Confident93 Ų9342.4 Ų42.449%0.48723%0.227SC..Hα-helixtrans-57.6-31.9173.8-164.1150.3000111.5I452 R499 V500 L501I452-L497 HydrophobicContact CG2-CD2 3.73Å; L497-R499 PolarHBondContact O-N 3.16Å; L497-V500 WeakPolarHBondContact O-CB 3.33Å; L497-V500 PolarHBondContact O-N 2.63Å; L497-L501 HydrophobicContact CD2-CD1 3.64Å; L497-L501 HydrophobicContact CD2-CD2 4.39Å; L497-L501 HydrophobicContact CD2-CG 3.83Å; L497-L501 WeakPolarHBondContact O-CG 3.14Å; L497-L501 PolarHBondContact O-N 3.4Å
498M89.2Confident88.7Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-62.9-40.1175.6-68.2-174.1-176.800113H446 I452 I455 L488 L489 A492 S496 V500 L501 L502H446-M498 HydrophobicContact CB-CE 4.47Å; H446-M498 HydrophobicContact CB-SD 4.2Å; I452-M498 HydrophobicContact CG1-CE 3.98Å; I455-M498 HydrophobicContact CD1-CE 3.27Å; I455-M498 HydrophobicContact CD1-SD 3.96Å; L488-M498 HydrophobicContact CD2-SD 4.12Å; L489-M498 HydrophobicContact CD2-CB 3.73Å; L489-M498 HydrophobicContact CD2-CG 4.1Å; A492-M498 HydrophobicContact CB-CB 3.63Å; A492-M498 HydrophobicContact CB-CG 4.5Å; A492-M498 HydrophobicContact CB-SD 4.25Å; S496-M498 PolarHBondContact O-N 3.22Å; M498-V500 VanDerWaalsContact C-N 3.35Å; M498-L501 WeakPolarHBondContact O-CB 3.42Å; M498-L501 PolarHBondContact O-N 2.98Å; M498-L502 PolarHBondContact O-N 3.22Å
499R88.6Confident88.5Confident5 Ų544.9 Ų44.92%0.01924%0.236CC..Hα-helixtrans-65.9-37.2173.5-91.1-83-124.6-1655.5112P493 C494 S496 L497 L502 R503 N548 E552P493-R499 WeakPolarHBondContact O-CG 3.4Å; C494-R499 WeakPolarHBondContact O-CB 3.43Å; C494-R499 PolarHBondContact SG-NH2 3.39Å; C494-R499 VanDerWaalsContact SG-NH2 3.39Å; S496-R499 PolarHBondContact O-N 2.97Å; S496-R499 PolarHBondContact OG-N 3.15Å; L497-R499 PolarHBondContact O-N 3.16Å; R499-L502 WeakPolarHBondContact O-CB 3.47Å; R499-L502 PolarHBondContact O-N 2.9Å; R499-R503 PolarHBondContact O-N 3.16Å; R499-N548 PolarHBondContact NH1-O 3.43Å; R499-E552 IonicContact CZ-OE1 3.48Å; R499-E552 IonicContact NE-OE1 3.56Å; R499-E552 PolarHBondContact NE-OE1 3.06Å; R499-E552 IonicContact NH1-OE1 3.29Å; R499-E552 PolarHBondContact NH1-OE1 3.13Å; R499-E552 VanDerWaalsContact NH1-OE1 3.08Å; R499-E552 IonicContact NH2-OE1 3.16Å
500V91Very high88.2Confident67 Ų6745.4 Ų45.441%0.40624%0.239SC..Hα-helixtrans-62.3-45173.2179.80000110.8S496 L497 M498 L502 R503 E504S496-V500 PolarHBondContact O-N 3.29Å; L497-V500 WeakPolarHBondContact O-CB 3.33Å; L497-V500 PolarHBondContact O-N 2.63Å; M498-V500 VanDerWaalsContact C-N 3.35Å; V500-L502 VanDerWaalsContact C-N 3.3Å; V500-L502 PolarHBondContact O-N 3.13Å; V500-R503 PolarHBondContact O-N 3.42Å; V500-R503 VanDerWaalsContact O-N 3.17Å; V500-E504 WeakPolarHBondContact O-CG 3.46Å; V500-E504 PolarHBondContact O-N 3.3Å
501L92.4Very high87.9Confident13 Ų1347.1 Ų47.17%0.06826%0.257CS..Hα-helixtrans-60.2-38.8176-70173000112.4I455 V456 L459 L497 M498 F505I455-L501 HydrophobicContact CG2-CD1 4.24Å; V456-L501 HydrophobicContact CG2-CD1 3.64Å; V456-L501 HydrophobicContact CG2-CD2 4.11Å; L459-L501 HydrophobicContact CD2-CB 3.78Å; L459-L501 HydrophobicContact CD2-CD2 4.45Å; L497-L501 HydrophobicContact CD2-CD1 3.64Å; L497-L501 HydrophobicContact CD2-CD2 4.39Å; L497-L501 HydrophobicContact CD2-CG 3.83Å; L497-L501 WeakPolarHBondContact O-CG 3.14Å; L497-L501 PolarHBondContact O-N 3.4Å; M498-L501 WeakPolarHBondContact O-CB 3.42Å; M498-L501 PolarHBondContact O-N 2.98Å; L501-F505 VanDerWaalsContact O-CB 3.3Å; L501-F505 WeakPolarHBondContact O-CB 3.37Å; L501-F505 PolarHBondContact O-N 2.88Å
502L93.3Very high87.6Confident0 Ų042.6 Ų42.60%024%0.237CC..Hα-helixtrans-61.9-47.2174-178.661.1000111.5V486 L489 C490 M498 R499 V500 E504 F505 L506 L543 E552V486-L502 HydrophobicContact CG1-CD1 4.03Å; L489-L502 HydrophobicContact CB-CB 4.01Å; L489-L502 HydrophobicContact CB-CD1 4.3Å; L489-L502 HydrophobicContact CB-CD2 4.4Å; L489-L502 HydrophobicContact CB-CG 4.47Å; L489-L502 HydrophobicContact CD1-CB 4.38Å; L489-L502 HydrophobicContact CD1-CD1 4.44Å; C490-L502 HydrophobicContact CB-CD2 4.22Å; M498-L502 PolarHBondContact O-N 3.22Å; R499-L502 WeakPolarHBondContact O-CB 3.47Å; R499-L502 PolarHBondContact O-N 2.9Å; V500-L502 VanDerWaalsContact C-N 3.3Å; V500-L502 PolarHBondContact O-N 3.13Å; L502-E504 PolarHBondContact O-N 3.34Å; L502-F505 WeakPolarHBondContact O-CB 3.44Å; L502-F505 PolarHBondContact O-N 3.2Å; L502-L506 HydrophobicContact CD1-CD1 4.38Å; L502-L506 HydrophobicContact CD1-CG 4.26Å; L502-L506 HydrophobicContact CG-CD1 4.19Å; L502-L506 HydrophobicContact CG-CG 4.45Å; L502-L506 WeakPolarHBondContact O-CG 3.27Å; L502-L506 PolarHBondContact O-N 2.97Å; L502-L543 HydrophobicContact CD1-CD1 4.26Å; L502-L543 HydrophobicContact CD1-CD2 4.36Å; L502-L543 HydrophobicContact CD2-CD2 4.32Å; L502-E552 HydrophobicContact CD2-CG 4.34Å
503R92.1Very high87.1Confident87 Ų8742.8 Ų42.833%0.32824%0.237SC..Hα-helixtrans-61.2-44.5178.4-73.9177.4-176.6158.89.5112R499 V500 F505 L506 N507 E552R499-R503 PolarHBondContact O-N 3.16Å; V500-R503 PolarHBondContact O-N 3.42Å; V500-R503 VanDerWaalsContact O-N 3.17Å; R503-F505 VanDerWaalsContact C-N 3.32Å; R503-F505 PolarHBondContact O-N 2.94Å; R503-L506 PolarHBondContact O-N 3.44Å; R503-N507 WeakPolarHBondContact O-CB 3.34Å; R503-N507 PolarHBondContact O-N 3.37Å; R503-N507 PolarHBondContact O-ND2 3.47Å; R503-E552 WeakPolarHBondContact CD-OE2 3.48Å; R503-E552 WeakPolarHBondContact CG-OE2 3.23Å; R503-E552 IonicContact CZ-OE1 3.73Å; R503-E552 IonicContact CZ-OE2 3.7Å; R503-E552 IonicContact NE-OE1 2.81Å; R503-E552 PolarHBondContact NE-OE1 2.95Å; R503-E552 IonicContact NE-OE2 2.77Å; R503-E552 PolarHBondContact NE-OE2 2.94Å; R503-E552 IonicContact NH2-OE1 3.69Å; R503-E552 PolarHBondContact NH2-OE1 2.82Å; R503-E552 IonicContact NH2-OE2 2.79Å
504E92.5Very high86.7Confident87 Ų8740.7 Ų40.741%0.40722%0.224SC..Hα-helixtrans-59.9-44.2175.1-73.7-178.4-175.600111.8V500 L502 N507 Q508V500-E504 WeakPolarHBondContact O-CG 3.46Å; V500-E504 PolarHBondContact O-N 3.3Å; L502-E504 PolarHBondContact O-N 3.34Å; E504-N507 PolarHBondContact O-N 3.37Å; E504-Q508 WeakPolarHBondContact O-CG 3.3Å; E504-Q508 PolarHBondContact O-N 2.71Å; E504-Q508 VanDerWaalsContact O-N 3.08Å
505F93.7Very high86.2Confident1 Ų141 Ų410%0.00423%0.225CC..Hα-helixtrans-62.8-46.3177.5176.6-111000112L459 F462 K463 V486 L501 L502 R503 N507 Q508 I509 Y536 M539L459-F505 HydrophobicContact CD1-CB 4.24Å; L459-F505 HydrophobicContact CD1-CD1 4.42Å; L459-F505 HydrophobicContact CD1-CD2 3.88Å; L459-F505 HydrophobicContact CD1-CE2 4.31Å; L459-F505 HydrophobicContact CD1-CG 3.93Å; L459-F505 HydrophobicContact CD2-CB 4.39Å; F462-F505 HydrophobicContact CB-CE2 4.4Å; F462-F505 WeakPolarHBondContact O-CE2 3.49Å; K463-F505 HydrophobicContact CG-CD2 4.21Å; V486-F505 HydrophobicContact CG2-CD1 4.35Å; V486-F505 HydrophobicContact CG2-CE1 3.79Å; L501-F505 VanDerWaalsContact O-CB 3.3Å; L501-F505 WeakPolarHBondContact O-CB 3.37Å; L501-F505 PolarHBondContact O-N 2.88Å; L502-F505 WeakPolarHBondContact O-CB 3.44Å; L502-F505 PolarHBondContact O-N 3.2Å; R503-F505 VanDerWaalsContact C-N 3.32Å; R503-F505 PolarHBondContact O-N 2.94Å; F505-N507 PolarHBondContact O-N 2.91Å; F505-Q508 WeakPolarHBondContact O-CB 3.5Å; F505-Q508 PolarHBondContact O-N 3.02Å; F505-I509 HydrophobicContact CD1-CD1 3.94Å; F505-I509 HydrophobicContact CE1-CD1 3.35Å; F505-I509 HydrophobicContact CE1-CG1 4.39Å; F505-I509 HydrophobicContact CE2-CD1 4.12Å; F505-I509 HydrophobicContact CE2-CG1 4.44Å; F505-I509 HydrophobicContact CZ-CD1 3.47Å; F505-I509 VanDerWaalsContact CZ-CD1 3.47Å; F505-I509 HydrophobicContact CZ-CG1 4.25Å; F505-I509 PolarHBondContact O-N 3.16Å; F505-Y536 HydrophobicContact CE2-CE1 4.42Å; F505-Y536 HydrophobicContact CZ-CD1 4.38Å; F505-Y536 HydrophobicContact CZ-CE1 4.25Å; F505-M539 HydrophobicContact CE1-SD 4.43Å; F505-M539 HydrophobicContact CZ-SD 4.02Å
506L91.4Very high85.6Confident2 Ų240.7 Ų40.71%0.0122%0.219CC..Hα-helixtrans-61.8-42.6176.4-71.2179.3000111.7L502 R503 Q508 I509 T510 L543 E552 L553 A556 I558L502-L506 HydrophobicContact CD1-CD1 4.38Å; L502-L506 HydrophobicContact CD1-CG 4.26Å; L502-L506 HydrophobicContact CG-CD1 4.19Å; L502-L506 HydrophobicContact CG-CG 4.45Å; L502-L506 WeakPolarHBondContact O-CG 3.27Å; L502-L506 PolarHBondContact O-N 2.97Å; R503-L506 PolarHBondContact O-N 3.44Å; L506-Q508 VanDerWaalsContact C-N 3.28Å; L506-Q508 PolarHBondContact O-N 3.39Å; L506-I509 CarbonylContact O-C 3.37Å; L506-I509 WeakPolarHBondContact O-CB 3.48Å; L506-I509 PolarHBondContact O-N 3.06Å; L506-I509 VanDerWaalsContact O-N 3.1Å; L506-T510 PolarHBondContact O-N 3.41Å; L506-T510 PolarHBondContact O-OG1 3.08Å; L506-L543 HydrophobicContact CD1-CD1 4.26Å; L506-L543 HydrophobicContact CD2-CD1 3.72Å; L506-L543 HydrophobicContact CG-CD1 4.44Å; L506-E552 HydrophobicContact CD1-CB 3.88Å; L506-L553 HydrophobicContact CD1-CD2 4.35Å; L506-L553 HydrophobicContact CD2-CD2 3.92Å; L506-A556 HydrophobicContact CB-CB 3.83Å; L506-A556 HydrophobicContact CD1-CB 4.34Å; L506-I558 HydrophobicContact CB-CD1 4.4Å; L506-I558 HydrophobicContact CD2-CD1 3.94Å
507N89.9Confident84.8Confident95 Ų9542.7 Ų42.751%0.50823%0.228SC..Hα-helixtrans-60.5-37.4176-72.4-22.1000112.4R503 E504 F505 T510 G511R503-N507 WeakPolarHBondContact O-CB 3.34Å; R503-N507 PolarHBondContact O-N 3.37Å; R503-N507 PolarHBondContact O-ND2 3.47Å; E504-N507 PolarHBondContact O-N 3.37Å; F505-N507 PolarHBondContact O-N 2.91Å; N507-T510 PolarHBondContact O-N 3.35Å; N507-G511 PolarHBondContact O-N 2.68Å
508Q89.3Confident83.7Confident66 Ų6638.7 Ų38.731%0.30821%0.207SC..Hα-helixtrans-67.6-40174-68.7176.323.100112.1P464 E504 F505 L506 G511 L512P464-Q508 HydrophobicContact CG-CB 3.92Å; E504-Q508 WeakPolarHBondContact O-CG 3.3Å; E504-Q508 PolarHBondContact O-N 2.71Å; E504-Q508 VanDerWaalsContact O-N 3.08Å; F505-Q508 WeakPolarHBondContact O-CB 3.5Å; F505-Q508 PolarHBondContact O-N 3.02Å; L506-Q508 VanDerWaalsContact C-N 3.28Å; L506-Q508 PolarHBondContact O-N 3.39Å; Q508-G511 PolarHBondContact O-N 3.42Å; Q508-L512 PolarHBondContact O-N 3.43Å
509I86.6Confident82.5Confident3 Ų345.3 Ų45.32%0.01524%0.238CC..Hα-helixtrans-62.3-44.4172.9-71.6178.6000110.3P464 F505 L506 G511 L512 L513 Y536 I540P464-I509 HydrophobicContact CG-CG1 4.15Å; F505-I509 HydrophobicContact CD1-CD1 3.94Å; F505-I509 HydrophobicContact CE1-CD1 3.35Å; F505-I509 HydrophobicContact CE1-CG1 4.39Å; F505-I509 HydrophobicContact CE2-CD1 4.12Å; F505-I509 HydrophobicContact CE2-CG1 4.44Å; F505-I509 HydrophobicContact CZ-CD1 3.47Å; F505-I509 VanDerWaalsContact CZ-CD1 3.47Å; F505-I509 HydrophobicContact CZ-CG1 4.25Å; F505-I509 PolarHBondContact O-N 3.16Å; L506-I509 CarbonylContact O-C 3.37Å; L506-I509 WeakPolarHBondContact O-CB 3.48Å; L506-I509 PolarHBondContact O-N 3.06Å; L506-I509 VanDerWaalsContact O-N 3.1Å; I509-G511 PolarHBondContact O-N 3.49Å; I509-L512 WeakPolarHBondContact O-CA 3.46Å; I509-L512 VanDerWaalsContact O-CB 3.28Å; I509-L512 WeakPolarHBondContact O-CB 3.47Å; I509-L512 PolarHBondContact O-N 3.21Å; I509-L513 HydrophobicContact CG2-CD1 3.74Å; I509-L513 HydrophobicContact CG2-CG 4.28Å; I509-L513 WeakPolarHBondContact O-CG 3.45Å; I509-L513 PolarHBondContact O-N 2.94Å; I509-Y536 HydrophobicContact CD1-CD1 4.05Å; I509-Y536 HydrophobicContact CG1-CD1 4.38Å; I509-I540 HydrophobicContact CG2-CD1 4.01Å
510T84.2Confident81.4Confident12 Ų1252 Ų527%0.07427%0.274CS..Hα-helixtrans-59.2-36.9175.8-510000111.3L506 N507 L513 A556 I558 R561L506-T510 PolarHBondContact O-N 3.41Å; L506-T510 PolarHBondContact O-OG1 3.08Å; N507-T510 PolarHBondContact O-N 3.35Å; T510-L513 PolarHBondContact O-N 2.91Å; T510-A556 WeakPolarHBondContact CG2-O 3.34Å; T510-A556 PolarHBondContact OG1-O 3.3Å; T510-A556 VanDerWaalsContact OG1-O 3.13Å; T510-I558 VanDerWaalsContact OG1-CG1 3.29Å; T510-I558 WeakPolarHBondContact OG1-CG1 3.45Å; T510-R561 VanDerWaalsContact CG2-CZ 3.42Å; T510-R561 PolarHBondContact O-NH1 3.41Å
511G83.1Confident80.2Confident37 Ų3749.4 Ų49.438%0.38126%0.261SS..Hα-helixtrans-65.1-38.6171.800000113.5N507 Q508 I509 L513 S514 N517N507-G511 PolarHBondContact O-N 2.68Å; Q508-G511 PolarHBondContact O-N 3.42Å; I509-G511 PolarHBondContact O-N 3.49Å; G511-L513 VanDerWaalsContact C-N 3.28Å; G511-L513 PolarHBondContact O-N 3.08Å; G511-S514 PolarHBondContact O-N 3.29Å; G511-S514 PolarHBondContact O-OG 3.17Å; G511-S514 VanDerWaalsContact O-OG 3.06Å; G511-N517 PolarHBondContact O-ND2 3.39Å
512L79.3Confident78.9Confident14 Ų1450.4 Ų50.47%0.07327%0.268CS..Hα-helixtrans-65.6-32.2175.5-162.878.2000112.3P464 Q508 I509 S514 N517 P522 L523 Y536P464-L512 HydrophobicContact CB-CD1 4.04Å; P464-L512 HydrophobicContact CB-CD2 4.36Å; Q508-L512 PolarHBondContact O-N 3.43Å; I509-L512 WeakPolarHBondContact O-CA 3.46Å; I509-L512 VanDerWaalsContact O-CB 3.28Å; I509-L512 WeakPolarHBondContact O-CB 3.47Å; I509-L512 PolarHBondContact O-N 3.21Å; L512-S514 VanDerWaalsContact C-N 3.26Å; L512-S514 PolarHBondContact O-N 2.89Å; L512-N517 WeakPolarHBondContact O-CB 3.42Å; L512-P522 HydrophobicContact CD1-CG 3.52Å; L512-P522 HydrophobicContact CG-CG 4.47Å; L512-L523 HydrophobicContact CB-CD1 4.47Å; L512-L523 HydrophobicContact CD2-CD1 3.66Å; L512-L523 HydrophobicContact CD2-CD2 3.99Å; L512-L523 HydrophobicContact CD2-CG 3.81Å; L512-L523 HydrophobicContact CG-CD1 3.72Å; L512-L523 HydrophobicContact CG-CG 3.97Å; L512-Y536 HydrophobicContact CD2-CD2 4.05Å; L512-Y536 HydrophobicContact CD2-CE2 4.13Å
513L76.1Confident77.7Confident7 Ų750.7 Ų50.74%0.03727%0.27CS..THydrogen-bonded Turntrans-82.27.6-179-70.8171.9000113.7I509 T510 G511 L523 F537 I540 F565I509-L513 HydrophobicContact CG2-CD1 3.74Å; I509-L513 HydrophobicContact CG2-CG 4.28Å; I509-L513 WeakPolarHBondContact O-CG 3.45Å; I509-L513 PolarHBondContact O-N 2.94Å; T510-L513 PolarHBondContact O-N 2.91Å; G511-L513 VanDerWaalsContact C-N 3.28Å; G511-L513 PolarHBondContact O-N 3.08Å; L513-L523 HydrophobicContact CD2-CD1 3.91Å; L513-F537 HydrophobicContact CD2-CE1 4.07Å; L513-F537 HydrophobicContact CD2-CZ 3.95Å; L513-I540 HydrophobicContact CD1-CD1 4.34Å; L513-F565 HydrophobicContact CB-CE1 3.8Å; L513-F565 HydrophobicContact CB-CZ 4.22Å; L513-F565 HydrophobicContact CD1-CE1 4.28Å; L513-F565 HydrophobicContact CD1-CZ 4.11Å; L513-F565 HydrophobicContact CD2-CE1 3.67Å; L513-F565 HydrophobicContact CD2-CZ 4.27Å; L513-F565 HydrophobicContact CG-CE1 4.09Å; L513-F565 HydrophobicContact CG-CZ 4.41Å
514S75.4Confident76.7Confident26 Ų2648.1 Ų48.118%0.18226%0.262CS..SBendtrans-69.2145.7174.366.40000111.3G511 L512 E516 N517 L518G511-S514 PolarHBondContact O-N 3.29Å; G511-S514 PolarHBondContact O-OG 3.17Å; G511-S514 VanDerWaalsContact O-OG 3.06Å; L512-S514 VanDerWaalsContact C-N 3.26Å; L512-S514 PolarHBondContact O-N 2.89Å; S514-E516 PolarHBondContact O-N 3.5Å; S514-E516 VanDerWaalsContact O-N 3.12Å; S514-N517 PolarHBondContact O-N 3.32Å; S514-N517 PolarHBondContact OG-ND2 3.14Å; S514-N517 VanDerWaalsContact OG-ND2 3.09Å; S514-L518 WeakPolarHBondContact O-CG 3.32Å; S514-L518 PolarHBondContact O-N 2.88Å
515P67.3Low75.4Confident72 Ų7248.9 Ų48.947%0.46827%0.266SS..Hα-helixtrans-54.7-37.3-173.319.4-32.2000113.6N517 L518 E519P515-N517 VanDerWaalsContact C-N 3.3Å; P515-N517 PolarHBondContact O-N 3Å; P515-L518 WeakPolarHBondContact O-CB 3.31Å; P515-L518 PolarHBondContact O-N 2.84Å; P515-L518 VanDerWaalsContact O-N 3.09Å; P515-E519 PolarHBondContact O-N 3.35Å
516E68.8Low74.2Confident154 Ų15458.8 Ų58.872%0.7230%0.304SS*.Hα-helixtrans-59.4-38.3177-61.2177.4-179.200113S514 L518 N520S514-E516 PolarHBondContact O-N 3.5Å; S514-E516 VanDerWaalsContact O-N 3.12Å; E516-L518 VanDerWaalsContact C-N 3.34Å; E516-N520 PolarHBondContact O-N 3.06Å
517N69.2Low73.3Confident56 Ų5662.1 Ų62.130%0.29932%0.321SS..Hα-helixtrans-79.9-16.8178.8-76-38.6000112.9G511 L512 S514 P515 G521G511-N517 PolarHBondContact O-ND2 3.39Å; L512-N517 WeakPolarHBondContact O-CB 3.42Å; S514-N517 PolarHBondContact O-N 3.32Å; S514-N517 PolarHBondContact OG-ND2 3.14Å; S514-N517 VanDerWaalsContact OG-ND2 3.09Å; P515-N517 VanDerWaalsContact C-N 3.3Å; P515-N517 PolarHBondContact O-N 3Å; N517-G521 CarbonylContact O-C 3.58Å; N517-G521 WeakPolarHBondContact O-CA 3.38Å; N517-G521 PolarHBondContact O-N 3.18Å
518L65.4Low72.6Confident8 Ų857.6 Ų57.64%0.04230%0.297CS..Hα-helixtrans-80.9-32.3176.3-50.3-176.3000111.7S514 P515 E516 L523 F565 I569S514-L518 WeakPolarHBondContact O-CG 3.32Å; S514-L518 PolarHBondContact O-N 2.88Å; P515-L518 WeakPolarHBondContact O-CB 3.31Å; P515-L518 PolarHBondContact O-N 2.84Å; P515-L518 VanDerWaalsContact O-N 3.09Å; E516-L518 VanDerWaalsContact C-N 3.34Å; L518-L523 HydrophobicContact CD2-CB 4.13Å; L518-L523 HydrophobicContact CD2-CD1 3.94Å; L518-F565 HydrophobicContact CD1-CD1 3.9Å; L518-I569 HydrophobicContact CB-CD1 4Å; L518-I569 HydrophobicContact CD1-CD1 3.71Å; L518-I569 HydrophobicContact CD2-CD1 3.07Å; L518-I569 HydrophobicContact CG-CD1 3.69Å
519E63.5Low71.7Confident139 Ų13957.4 Ų57.465%0.6530%0.296SS*.Hα-helixtrans-83.7-46.9-179.9-67-173.4169.200112.3P515P515-E519 PolarHBondContact O-N 3.35Å
520N64Low71.1Confident146 Ų14661 Ų6178%0.78132%0.321SS*.SBendtrans-122.40-172.7-64.9-47.5000113.9E516E516-N520 PolarHBondContact O-N 3.06Å
521G67Low71Confident12 Ų1261.2 Ų61.212%0.12432%0.322CS..SBendtrans-96.6-168.8-175.500000114N517 L523 N524N517-G521 CarbonylContact O-C 3.58Å; N517-G521 WeakPolarHBondContact O-CA 3.38Å; N517-G521 PolarHBondContact O-N 3.18Å; G521-L523 PolarHBondContact O-N 2.85Å; G521-L523 VanDerWaalsContact O-N 3.12Å; G521-N524 WeakPolarHBondContact O-CB 3.45Å; G521-N524 PolarHBondContact O-N 3.21Å; G521-N524 VanDerWaalsContact O-N 3.08Å; G521-N524 PolarHBondContact O-ND2 2.92Å
522P64.6Low71.1Confident34 Ų3459.5 Ų59.522%0.22130%0.304CS..THydrogen-bonded Turntrans-69.3-6.8-175.830.7-37.7000114L512L512-P522 HydrophobicContact CD1-CG 3.52Å; L512-P522 HydrophobicContact CG-CG 4.47Å
523L68.7Low71.3Confident6 Ų658.9 Ų58.93%0.03130%0.301CS..THydrogen-bonded Turntrans-103.817.1174.1-64.2-178.9000112.3L512 L513 L518 G521 I528 A533 I569L512-L523 HydrophobicContact CB-CD1 4.47Å; L512-L523 HydrophobicContact CD2-CD1 3.66Å; L512-L523 HydrophobicContact CD2-CD2 3.99Å; L512-L523 HydrophobicContact CD2-CG 3.81Å; L512-L523 HydrophobicContact CG-CD1 3.72Å; L512-L523 HydrophobicContact CG-CG 3.97Å; L513-L523 HydrophobicContact CD2-CD1 3.91Å; L518-L523 HydrophobicContact CD2-CB 4.13Å; L518-L523 HydrophobicContact CD2-CD1 3.94Å; G521-L523 PolarHBondContact O-N 2.85Å; G521-L523 VanDerWaalsContact O-N 3.12Å; L523-I528 HydrophobicContact CB-CD1 4.31Å; L523-I528 HydrophobicContact CD2-CD1 3.97Å; L523-I528 HydrophobicContact CD2-CG1 4.3Å; L523-A533 HydrophobicContact CD2-CB 3.81Å; L523-I569 HydrophobicContact CB-CD1 4.34Å
524N70.6Confident71.6Confident33 Ų3359.7 Ų59.718%0.17631%0.305CS..SBendtrans-59.2156.9173.575.146.8000111G521 R526 D527 I528G521-N524 WeakPolarHBondContact O-CB 3.45Å; G521-N524 PolarHBondContact O-N 3.21Å; G521-N524 VanDerWaalsContact O-N 3.08Å; G521-N524 PolarHBondContact O-ND2 2.92Å; N524-R526 PolarHBondContact O-N 3.42Å; N524-R526 VanDerWaalsContact O-N 3.14Å; N524-R526 PolarHBondContact OD1-N 3.32Å; N524-R526 VanDerWaalsContact OD1-N 3.12Å; N524-D527 PolarHBondContact ND2-OD2 3.02Å; N524-D527 PolarHBondContact O-N 3.14Å; N524-D527 VanDerWaalsContact OD1-CB 3.3Å; N524-D527 WeakPolarHBondContact OD1-CB 3.46Å; N524-D527 VanDerWaalsContact OD1-CG 3.31Å; N524-D527 PolarHBondContact OD1-N 2.89Å; N524-D527 PolarHBondContact OD1-OD2 3.05Å; N524-I528 WeakPolarHBondContact O-CB 3.37Å; N524-I528 PolarHBondContact O-N 3.44Å
525E65.9Low72.2Confident103 Ų10359 Ų5948%0.48130%0.3SS..Hα-helixtrans-56.9-33.7-173.1178.4176.3-173.100114Q529 L568E525-Q529 WeakPolarHBondContact O-CG 3.32Å; E525-L568 HydrophobicContact CB-CD1 4.24Å; E525-L568 HydrophobicContact CB-CD2 3.97Å; E525-L568 HydrophobicContact CG-CD1 3.67Å; E525-L568 HydrophobicContact CG-CD2 3.72Å; E525-L568 HydrophobicContact CG-CG 4.33Å; E525-L568 VanDerWaalsContact OE1-CD1 3.28Å; E525-L568 WeakPolarHBondContact OE1-CD1 3.31Å; E525-L568 WeakPolarHBondContact OE2-CD1 3.29Å
526R68.6Low73.2Confident210 Ų21055.9 Ų55.979%0.79228%0.278SS*.Hα-helixtrans-78.5-41.6-177.4-67.4-175.9179.2175.40.7111.7N524N524-R526 PolarHBondContact O-N 3.42Å; N524-R526 VanDerWaalsContact O-N 3.14Å; N524-R526 PolarHBondContact OD1-N 3.32Å; N524-R526 VanDerWaalsContact OD1-N 3.12Å
527D70.9Confident74Confident72 Ų7248.9 Ų48.939%0.38525%0.246SC..Hα-helixtrans-76.7-36.1-177.7-67.8-22.3000110.7N524 Q529 C530 T531N524-D527 PolarHBondContact ND2-OD2 3.02Å; N524-D527 PolarHBondContact O-N 3.14Å; N524-D527 VanDerWaalsContact OD1-CB 3.3Å; N524-D527 WeakPolarHBondContact OD1-CB 3.46Å; N524-D527 VanDerWaalsContact OD1-CG 3.31Å; N524-D527 PolarHBondContact OD1-N 2.89Å; N524-D527 PolarHBondContact OD1-OD2 3.05Å; D527-Q529 VanDerWaalsContact C-N 3.27Å; D527-Q529 PolarHBondContact O-N 2.89Å; D527-C530 PolarHBondContact O-N 3.23Å; D527-C530 VanDerWaalsContact O-N 3.13Å; D527-T531 HydrophobicContact CB-CG2 4.4Å; D527-T531 VanDerWaalsContact O-CB 3.24Å; D527-T531 WeakPolarHBondContact O-CB 3.32Å; D527-T531 WeakPolarHBondContact O-CG2 3.38Å; D527-T531 PolarHBondContact O-N 2.9Å; D527-T531 PolarHBondContact O-OG1 3.02Å
528I75.2Confident74.8Confident0 Ų046.3 Ų46.30%023%0.232CC..Hα-helixtrans-65.8-30.2-178.2-149.7169000113L253 L523 N524 C530 I534 F537L253-I528 HydrophobicContact CD2-CG2 4.36Å; L523-I528 HydrophobicContact CB-CD1 4.31Å; L523-I528 HydrophobicContact CD2-CD1 3.97Å; L523-I528 HydrophobicContact CD2-CG1 4.3Å; N524-I528 WeakPolarHBondContact O-CB 3.37Å; N524-I528 PolarHBondContact O-N 3.44Å; I528-C530 VanDerWaalsContact C-N 3.32Å; I528-I534 HydrophobicContact CG1-CB 4.27Å; I528-I534 WeakPolarHBondContact O-CB 3.14Å; I528-F537 HydrophobicContact CD1-CE2 3.85Å
529Q72Confident76Confident61 Ų6146 Ų4629%0.28523%0.23SC..Hα-helixtrans-75.3-24.6177.7-69-175.918.800112.7L253 E525 D527L253-Q529 HydrophobicContact CB-CG 4.03Å; L253-Q529 HydrophobicContact CD2-CG 4.49Å; E525-Q529 WeakPolarHBondContact O-CG 3.32Å; D527-Q529 VanDerWaalsContact C-N 3.27Å; D527-Q529 PolarHBondContact O-N 2.89Å
530C72.4Confident77.2Confident80 Ų8039.9 Ų39.954%0.54120%0.202SC..Hα-helixtrans-112.9-2.8-171.2-64.60000113.5T472 D527 I528T472-C530 WeakPolarHBondContact CA-O 3.41Å; D527-C530 PolarHBondContact O-N 3.23Å; D527-C530 VanDerWaalsContact O-N 3.13Å; I528-C530 VanDerWaalsContact C-N 3.32Å
531T82.6Confident78.2Confident16 Ų1633.3 Ų33.310%0.09817%0.167CC..SBendtrans-123.2159.3-176.465.40000112.2L471 T472 D527 A533 I534L471-T531 CarbonylContact O-C 3.58Å; L471-T531 VanDerWaalsContact O-CA 3.31Å; L471-T531 WeakPolarHBondContact O-CA 3.21Å; T472-T531 HydrophobicContact CG2-CG2 4.26Å; D527-T531 HydrophobicContact CB-CG2 4.4Å; D527-T531 VanDerWaalsContact O-CB 3.24Å; D527-T531 WeakPolarHBondContact O-CB 3.32Å; D527-T531 WeakPolarHBondContact O-CG2 3.38Å; D527-T531 PolarHBondContact O-N 2.9Å; D527-T531 PolarHBondContact O-OG1 3.02Å; T531-A533 PolarHBondContact O-N 3.46Å; T531-A533 WeakPolarHBondContact OG1-CB 3.48Å; T531-I534 WeakPolarHBondContact O-CG2 3.45Å
532A85.6Confident79.2Confident0 Ų033.7 Ų33.70%017%0.166CC..G310 helixtrans-64.4-8.9175.400000114F468 L471 F475 I534 D535F468-A532 HydrophobicContact CD1-CB 4.39Å; F468-A532 HydrophobicContact CD2-CB 4.11Å; F468-A532 HydrophobicContact CE1-CB 3.99Å; F468-A532 VanDerWaalsContact CE1-O 3.27Å; F468-A532 WeakPolarHBondContact CE1-O 3.33Å; F468-A532 HydrophobicContact CE2-CB 3.69Å; F468-A532 HydrophobicContact CG-CB 4.45Å; F468-A532 HydrophobicContact CZ-CB 3.63Å; F468-A532 WeakPolarHBondContact CZ-O 3.4Å; F468-A532 WeakPolarHBondContact O-CB 3.29Å; L471-A532 HydrophobicContact CB-CB 4.07Å; L471-A532 PolarHBondContact O-N 3.31Å; F475-A532 HydrophobicContact CB-CB 3.57Å; F475-A532 HydrophobicContact CD1-CB 3.85Å; F475-A532 HydrophobicContact CD2-CB 3.55Å; F475-A532 HydrophobicContact CE1-CB 4.41Å; F475-A532 HydrophobicContact CE2-CB 4.16Å; F475-A532 HydrophobicContact CG-CB 3.37Å; A532-I534 PolarHBondContact O-N 3.1Å; A532-I534 VanDerWaalsContact O-N 3.16Å; A532-D535 PolarHBondContact O-N 2.87Å
533A84.6Confident80.2Confident2 Ų232.2 Ų32.22%0.01716%0.156CC..G310 helixtrans-59.9-25.3179.100000112.8R469 L523 T531 D535 Y536R469-A533 HydrophobicContact CB-CB 4.4Å; L523-A533 HydrophobicContact CD2-CB 3.81Å; T531-A533 PolarHBondContact O-N 3.46Å; T531-A533 WeakPolarHBondContact OG1-CB 3.48Å; A533-D535 PolarHBondContact O-N 3.49Å; A533-Y536 HydrophobicContact CB-CD2 4.28Å; A533-Y536 HydrophobicContact CB-CE2 4.32Å; A533-Y536 WeakPolarHBondContact O-CD2 3.34Å; A533-Y536 PolarHBondContact O-N 2.82Å
534I82.3Confident80.9Confident24 Ų2433.5 Ų33.512%0.12317%0.165CC..G310 helixtrans-56.7-32.1172.4-166171.8000112.8L253 F257 F475 I528 T531 A532 Y536 F537L253-I534 HydrophobicContact CD1-CD1 3.49Å; L253-I534 VanDerWaalsContact CD1-CD1 3.49Å; L253-I534 HydrophobicContact CD1-CG1 4.26Å; F257-I534 HydrophobicContact CE2-CD1 4.04Å; F257-I534 HydrophobicContact CZ-CD1 4Å; F475-I534 HydrophobicContact CE2-CG2 4.26Å; F475-I534 HydrophobicContact CZ-CG2 4.43Å; I528-I534 HydrophobicContact CG1-CB 4.27Å; I528-I534 WeakPolarHBondContact O-CB 3.14Å; T531-I534 WeakPolarHBondContact O-CG2 3.45Å; A532-I534 PolarHBondContact O-N 3.1Å; A532-I534 VanDerWaalsContact O-N 3.16Å; I534-Y536 PolarHBondContact O-N 3.48Å; I534-F537 WeakPolarHBondContact O-CB 3.37Å; I534-F537 WeakPolarHBondContact O-CD2 3.34Å; I534-F537 PolarHBondContact O-N 3.14Å; I534-F537 VanDerWaalsContact O-N 3.15Å
535D87.2Confident81.4Confident11 Ų1133.5 Ų33.56%0.05916%0.164CC..Hα-helixtrans-80.2-2.7-175.1-78.2-36.6000113.7F468 F475 S479 A532 A533 F537 S538 M539F468-D535 HydrophobicContact CZ-CB 4.08Å; F475-D535 WeakPolarHBondContact CD2-OD2 3.49Å; F475-D535 WeakPolarHBondContact CE2-OD2 3.47Å; S479-D535 WeakPolarHBondContact CB-OD2 3.35Å; S479-D535 WeakPolarHBondContact OG-CB 3.42Å; S479-D535 VanDerWaalsContact OG-CG 3.31Å; S479-D535 PolarHBondContact OG-OD2 3.18Å; A532-D535 PolarHBondContact O-N 2.87Å; A533-D535 PolarHBondContact O-N 3.49Å; D535-F537 PolarHBondContact O-N 3.43Å; D535-S538 WeakPolarHBondContact O-CB 3.35Å; D535-S538 PolarHBondContact O-N 3.27Å; D535-S538 VanDerWaalsContact O-N 3.11Å; D535-S538 PolarHBondContact OD1-OG 3.05Å; D535-M539 WeakPolarHBondContact O-CG 3.37Å; D535-M539 PolarHBondContact O-N 3.46Å
536Y88.4Confident82.2Confident6 Ų630.9 Ų30.92%0.02415%0.152CC..Hα-helixtrans-60.1-34.5162.6-71.3-57.9000111.3F462 K463 F468 R469 F505 I509 L512 A533 I534 S538 M539 I540F462-Y536 VanDerWaalsContact O-CE1 3.23Å; F462-Y536 WeakPolarHBondContact O-CE1 3.1Å; F462-Y536 PolarHBondContact O-OH 2.92Å; K463-Y536 PolarHBondContact O-OH 3.42Å; F468-Y536 HydrophobicContact CD1-CE1 4.16Å; F468-Y536 HydrophobicContact CD1-CE2 4.41Å; F468-Y536 AromaticContact CD1-CZ 3.87Å; F468-Y536 HydrophobicContact CE1-CE1 4.42Å; R469-Y536 HydrophobicContact CB-CE2 4.33Å; F505-Y536 HydrophobicContact CE2-CE1 4.42Å; F505-Y536 HydrophobicContact CZ-CD1 4.38Å; F505-Y536 HydrophobicContact CZ-CE1 4.25Å; I509-Y536 HydrophobicContact CD1-CD1 4.05Å; I509-Y536 HydrophobicContact CG1-CD1 4.38Å; L512-Y536 HydrophobicContact CD2-CD2 4.05Å; L512-Y536 HydrophobicContact CD2-CE2 4.13Å; A533-Y536 HydrophobicContact CB-CD2 4.28Å; A533-Y536 HydrophobicContact CB-CE2 4.32Å; A533-Y536 WeakPolarHBondContact O-CD2 3.34Å; A533-Y536 PolarHBondContact O-N 2.82Å; I534-Y536 PolarHBondContact O-N 3.48Å; Y536-S538 VanDerWaalsContact C-N 3.33Å; Y536-M539 HydrophobicContact CD1-SD 4.19Å; Y536-M539 PolarHBondContact O-N 3.25Å; Y536-I540 WeakPolarHBondContact O-CG1 3.45Å; Y536-I540 PolarHBondContact O-N 2.99Å
537F85Confident82.8Confident8 Ų828.9 Ų28.94%0.03515%0.151CC..Hα-helixtrans-66.6-35.9173.2-65.4-73.5000112L513 I528 I534 D535 M539 I540 L541 I569 V572 W573L513-F537 HydrophobicContact CD2-CE1 4.07Å; L513-F537 HydrophobicContact CD2-CZ 3.95Å; I528-F537 HydrophobicContact CD1-CE2 3.85Å; I534-F537 WeakPolarHBondContact O-CB 3.37Å; I534-F537 WeakPolarHBondContact O-CD2 3.34Å; I534-F537 PolarHBondContact O-N 3.14Å; I534-F537 VanDerWaalsContact O-N 3.15Å; D535-F537 PolarHBondContact O-N 3.43Å; F537-M539 VanDerWaalsContact C-N 3.32Å; F537-M539 PolarHBondContact O-N 3.31Å; F537-I540 HydrophobicContact CD1-CD1 4.44Å; F537-I540 PolarHBondContact O-N 3.45Å; F537-L541 WeakPolarHBondContact O-CB 3.42Å; F537-L541 PolarHBondContact O-N 3.14Å; F537-I569 HydrophobicContact CE1-CG2 3.92Å; F537-I569 HydrophobicContact CZ-CG1 4.24Å; F537-I569 HydrophobicContact CZ-CG2 3.66Å; F537-V572 HydrophobicContact CD2-CG1 4.09Å; F537-V572 HydrophobicContact CE2-CG1 4.4Å; F537-V572 HydrophobicContact CG-CG1 4.2Å; F537-W573 AromaticContact CD1-CD1 3.72Å; F537-W573 AromaticContact CE1-CD1 3.69Å
538S86.8Confident83.5Confident1 Ų128.8 Ų28.81%0.00715%0.15CC..Hα-helixtrans-62.4-39173.3-550000111.4L381 D535 Y536 L541 Q542L381-S538 WeakPolarHBondContact CD1-O 3.42Å; D535-S538 WeakPolarHBondContact O-CB 3.35Å; D535-S538 PolarHBondContact O-N 3.27Å; D535-S538 VanDerWaalsContact O-N 3.11Å; D535-S538 PolarHBondContact OD1-OG 3.05Å; Y536-S538 VanDerWaalsContact C-N 3.33Å; S538-L541 PolarHBondContact O-N 2.89Å; S538-Q542 PolarHBondContact O-N 3.32Å
539M89.9Confident83.9Confident2 Ų228.8 Ų28.81%0.0115%0.15CC..Hα-helixtrans-68.8-40.4175.6-63.6178.1-159.700112.7F462 F468 V486 F505 D535 Y536 F537 L541 Q542 L543F462-M539 HydrophobicContact CD1-CE 3.69Å; F462-M539 HydrophobicContact CE1-CE 4.07Å; F462-M539 HydrophobicContact CG-CE 4.47Å; F468-M539 HydrophobicContact CD1-CE 4.49Å; F468-M539 HydrophobicContact CE1-CE 3.83Å; F468-M539 HydrophobicContact CZ-CE 4.01Å; V486-M539 HydrophobicContact CG2-CB 4.35Å; V486-M539 HydrophobicContact CG2-CG 4.48Å; V486-M539 HydrophobicContact CG2-SD 4.3Å; F505-M539 HydrophobicContact CE1-SD 4.43Å; F505-M539 HydrophobicContact CZ-SD 4.02Å; D535-M539 WeakPolarHBondContact O-CG 3.37Å; D535-M539 PolarHBondContact O-N 3.46Å; Y536-M539 HydrophobicContact CD1-SD 4.19Å; Y536-M539 PolarHBondContact O-N 3.25Å; F537-M539 VanDerWaalsContact C-N 3.32Å; F537-M539 PolarHBondContact O-N 3.31Å; M539-L541 VanDerWaalsContact C-N 3.33Å; M539-Q542 PolarHBondContact O-N 3.02Å; M539-L543 PolarHBondContact O-N 2.97Å
540I88Confident84.3Confident10 Ų1029.3 Ų29.35%0.05116%0.155CC..Hα-helixtrans-62.2-44.3173.8-66.4165.8000110.1I509 L513 Y536 F537 Q542 L543 S544 L553 I558I509-I540 HydrophobicContact CG2-CD1 4.01Å; L513-I540 HydrophobicContact CD1-CD1 4.34Å; Y536-I540 WeakPolarHBondContact O-CG1 3.45Å; Y536-I540 PolarHBondContact O-N 2.99Å; F537-I540 HydrophobicContact CD1-CD1 4.44Å; F537-I540 PolarHBondContact O-N 3.45Å; I540-Q542 VanDerWaalsContact C-N 3.31Å; I540-Q542 PolarHBondContact O-N 2.91Å; I540-L543 WeakPolarHBondContact O-CB 3.48Å; I540-L543 PolarHBondContact O-N 3.23Å; I540-S544 PolarHBondContact O-N 3.08Å; I540-S544 VanDerWaalsContact O-N 3.11Å; I540-L553 HydrophobicContact CG2-CD1 4.23Å; I540-L553 HydrophobicContact CG2-CD2 4.06Å; I540-I558 HydrophobicContact CG2-CG2 4.5Å
541L85.9Confident85Confident9 Ų929.7 Ų29.75%0.04715%0.151CC..Hα-helixtrans-59.4-43.5176.3177.766.9000111.2V378 L381 L382 F537 S538 M539 L543 S544 F545 V576 V580V378-L541 HydrophobicContact CB-CD2 4.33Å; V378-L541 HydrophobicContact CG1-CD2 3.5Å; L381-L541 HydrophobicContact CB-CD2 4.34Å; L382-L541 HydrophobicContact CD2-CD1 4.3Å; L382-L541 HydrophobicContact CD2-CD2 4.38Å; L382-L541 HydrophobicContact CG-CD2 4.09Å; F537-L541 WeakPolarHBondContact O-CB 3.42Å; F537-L541 PolarHBondContact O-N 3.14Å; S538-L541 PolarHBondContact O-N 2.89Å; M539-L541 VanDerWaalsContact C-N 3.33Å; L541-L543 VanDerWaalsContact C-N 3.28Å; L541-L543 PolarHBondContact O-N 3.12Å; L541-S544 WeakPolarHBondContact O-CB 3.19Å; L541-S544 PolarHBondContact O-N 3.26Å; L541-S544 PolarHBondContact O-OG 3.27Å; L541-F545 HydrophobicContact CD1-CE1 4.03Å; L541-F545 HydrophobicContact CD1-CZ 3.94Å; L541-F545 HydrophobicContact CD2-CZ 4.17Å; L541-F545 HydrophobicContact CG-CE1 4.32Å; L541-F545 HydrophobicContact CG-CE2 4.18Å; L541-F545 HydrophobicContact CG-CZ 3.74Å; L541-F545 PolarHBondContact O-N 2.64Å; L541-V576 HydrophobicContact CD1-CG1 4.27Å; L541-V576 HydrophobicContact CD2-CG1 4.34Å; L541-V580 HydrophobicContact CD1-CG2 4.33Å
542Q87.6Confident85.2Confident20 Ų2029 Ų299%0.09315%0.147CC..Hα-helixtrans-58.7-39.3177.9-176.961.333.700112.3C483 A487 S538 M539 I540 S544 H546C483-Q542 HydrophobicContact CB-CB 4.32Å; C483-Q542 HydrophobicContact CB-CG 4.25Å; A487-Q542 HydrophobicContact CB-CG 4.07Å; S538-Q542 PolarHBondContact O-N 3.32Å; M539-Q542 PolarHBondContact O-N 3.02Å; I540-Q542 VanDerWaalsContact C-N 3.31Å; I540-Q542 PolarHBondContact O-N 2.91Å; Q542-S544 VanDerWaalsContact C-N 3.33Å; Q542-H546 PolarHBondContact O-CD2 3.11Å
543L86.1Confident85.2Confident2 Ų229.1 Ų29.11%0.0115%0.147CC..Hα-helixtrans-66.6-35.6174.9-73.6171.6000112.6V486 C490 L502 L506 M539 I540 L541 F545 H546 G549 L553V486-L543 HydrophobicContact CG1-CD1 3.48Å; V486-L543 VanDerWaalsContact CG1-CD1 3.48Å; V486-L543 HydrophobicContact CG1-CD2 3.37Å; V486-L543 HydrophobicContact CG1-CG 3.26Å; C490-L543 HydrophobicContact CB-CD2 3.62Å; L502-L543 HydrophobicContact CD1-CD1 4.26Å; L502-L543 HydrophobicContact CD1-CD2 4.36Å; L502-L543 HydrophobicContact CD2-CD2 4.32Å; L506-L543 HydrophobicContact CD1-CD1 4.26Å; L506-L543 HydrophobicContact CD2-CD1 3.72Å; L506-L543 HydrophobicContact CG-CD1 4.44Å; M539-L543 PolarHBondContact O-N 2.97Å; I540-L543 WeakPolarHBondContact O-CB 3.48Å; I540-L543 PolarHBondContact O-N 3.23Å; L541-L543 VanDerWaalsContact C-N 3.28Å; L541-L543 PolarHBondContact O-N 3.12Å; L543-F545 PolarHBondContact O-N 3.38Å; L543-H546 PolarHBondContact O-N 3.39Å; L543-G549 WeakPolarHBondContact O-CA 3.29Å; L543-L553 HydrophobicContact CB-CD1 3.88Å; L543-L553 HydrophobicContact CB-CD2 4.5Å; L543-L553 HydrophobicContact CB-CG 4.19Å; L543-L553 HydrophobicContact CD1-CD2 3.98Å; L543-L553 HydrophobicContact CD1-CG 4.35Å
544S84.1Confident85.1Confident34 Ų3435.1 Ų35.124%0.23818%0.175CC..Hα-helixtrans-65.1-18.4-177.675.80000113.6I540 L541 Q542 H546I540-S544 PolarHBondContact O-N 3.08Å; I540-S544 VanDerWaalsContact O-N 3.11Å; L541-S544 WeakPolarHBondContact O-CB 3.19Å; L541-S544 PolarHBondContact O-N 3.26Å; L541-S544 PolarHBondContact O-OG 3.27Å; Q542-S544 VanDerWaalsContact C-N 3.33Å; S544-H546 PolarHBondContact O-N 3.21Å
545F80.9Confident85.3Confident33 Ų3340 Ų4015%0.14520%0.198CC..THydrogen-bonded Turntrans-74.2-11.8174.2-62.4-36.7000114.1L381 L382 H385 L541 L543L381-F545 HydrophobicContact CB-CE2 4.13Å; L382-F545 HydrophobicContact CD2-CE1 4.02Å; L382-F545 HydrophobicContact CD2-CZ 3.97Å; L382-F545 HydrophobicContact CG-CZ 4.48Å; H385-F545 HydrophobicContact CB-CD1 4.41Å; H385-F545 HydrophobicContact CB-CD2 4.33Å; H385-F545 HydrophobicContact CB-CE1 4.19Å; H385-F545 HydrophobicContact CB-CE2 4.09Å; H385-F545 HydrophobicContact CB-CG 4.5Å; H385-F545 HydrophobicContact CB-CZ 4.02Å; H385-F545 AromaticContact CD2-CD1 3.68Å; H385-F545 AromaticContact CD2-CE1 3.9Å; H385-F545 AromaticContact CE1-CD1 3.84Å; H385-F545 AromaticContact CE1-CG 3.77Å; H385-F545 AromaticContact CG-CD1 3.73Å; H385-F545 AromaticContact CG-CE1 3.93Å; H385-F545 AromaticContact CG-CG 3.87Å; H385-F545 AromaticContact ND1-CD1 3.83Å; H385-F545 AromaticContact ND1-CD2 3.97Å; H385-F545 AromaticContact ND1-CG 3.57Å; H385-F545 AromaticContact NE2-CD1 3.75Å; L541-F545 HydrophobicContact CD1-CE1 4.03Å; L541-F545 HydrophobicContact CD1-CZ 3.94Å; L541-F545 HydrophobicContact CD2-CZ 4.17Å; L541-F545 HydrophobicContact CG-CE1 4.32Å; L541-F545 HydrophobicContact CG-CE2 4.18Å; L541-F545 HydrophobicContact CG-CZ 3.74Å; L541-F545 PolarHBondContact O-N 2.64Å; L543-F545 PolarHBondContact O-N 3.38Å
546H82.5Confident85.1Confident48 Ų4840.1 Ų40.122%0.22220%0.2CC..SBendtrans-116.9135.4-177.2-57.2-69000110.4H491 Q542 L543 S544 N548 G549 L550H491-H546 AromaticContact CE1-CD2 3.99Å; H491-H546 AromaticContact CE1-CE1 3.35Å; H491-H546 PolarHBondContact CE1-CE1 2.81Å; H491-H546 AromaticContact CE1-CG 3.96Å; H491-H546 AromaticContact CE1-ND1 3.56Å; H491-H546 AromaticContact CE1-NE2 3.61Å; H491-H546 AromaticContact NE2-CE1 3.69Å; H491-H546 AromaticContact NE2-ND1 3.63Å; Q542-H546 PolarHBondContact O-CD2 3.11Å; L543-H546 PolarHBondContact O-N 3.39Å; S544-H546 PolarHBondContact O-N 3.21Å; H546-N548 VanDerWaalsContact C-N 3.31Å; H546-N548 PolarHBondContact O-N 3.06Å; H546-G549 WeakPolarHBondContact O-CA 3.28Å; H546-G549 PolarHBondContact O-N 2.9Å; H546-L550 PolarHBondContact O-N 3.48Å
547E81Confident84.7Confident167 Ų16740.7 Ų40.778%0.7821%0.208SC*.Hα-helixtrans-56.6-45.3178.5-65.1-174.8166.700112G549 L550 L551E547-G549 PolarHBondContact O-N 3.37Å; E547-L550 PolarHBondContact O-N 3.01Å; E547-L551 PolarHBondContact O-N 3.29Å; E547-L551 VanDerWaalsContact O-N 3.14Å
548N84.7Confident84.4Confident70 Ų7040.4 Ų40.437%0.37421%0.206SC..Hα-helixtrans-61.5-29.8175.2-76.6-17000113.1R499 H546 E552R499-N548 PolarHBondContact NH1-O 3.43Å; H546-N548 VanDerWaalsContact C-N 3.31Å; H546-N548 PolarHBondContact O-N 3.06Å; N548-E552 WeakPolarHBondContact O-CG 3.34Å; N548-E552 PolarHBondContact O-N 3.42Å
549G83.8Confident83.7Confident0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-76.8-41.3179.100000111.1C490 L543 H546 E547 L551 E552 L553C490-G549 WeakPolarHBondContact SG-CA 3.47Å; C490-G549 PolarHBondContact SG-N 3.37Å; L543-G549 WeakPolarHBondContact O-CA 3.29Å; H546-G549 WeakPolarHBondContact O-CA 3.28Å; H546-G549 PolarHBondContact O-N 2.9Å; E547-G549 PolarHBondContact O-N 3.37Å; G549-L551 VanDerWaalsContact C-N 3.31Å; G549-L551 PolarHBondContact O-N 2.86Å; G549-E552 PolarHBondContact O-N 3.11Å; G549-L553 WeakPolarHBondContact O-CB 3.17Å; G549-L553 VanDerWaalsContact O-CG 3.29Å; G549-L553 WeakPolarHBondContact O-CG 3.48Å; G549-L553 PolarHBondContact O-N 3.22Å
550L81.8Confident82.8Confident72 Ų7247.1 Ų47.138%0.37725%0.249SC..Hα-helixtrans-57.7-42.7172.9-72.4169.7000112H546 E547 E552 L553 Q554H546-L550 PolarHBondContact O-N 3.48Å; E547-L550 PolarHBondContact O-N 3.01Å; L550-E552 PolarHBondContact O-N 3.41Å; L550-L553 PolarHBondContact O-N 2.77Å; L550-Q554 WeakPolarHBondContact O-CB 3.44Å; L550-Q554 PolarHBondContact O-N 3.26Å
551L85.8Confident81.7Confident88 Ų8850.1 Ų50.146%0.46126%0.26SS..Hα-helixtrans-61.2-43.7176.3-69.3173.8000112.2E547 G549 Q554 Q555E547-L551 PolarHBondContact O-N 3.29Å; E547-L551 VanDerWaalsContact O-N 3.14Å; G549-L551 VanDerWaalsContact C-N 3.31Å; G549-L551 PolarHBondContact O-N 2.86Å; L551-Q554 PolarHBondContact O-N 3.49Å; L551-Q555 WeakPolarHBondContact O-CG 3.43Å; L551-Q555 PolarHBondContact O-N 3.35Å
552E86.7Confident80.3Confident3 Ų353.9 Ų53.91%0.01428%0.277CS..Hα-helixtrans-69.4-38.2177.7-64.7-65.2161.500112.2R499 L502 R503 L506 N548 G549 L550 Q554 Q555 A556R499-E552 IonicContact CZ-OE1 3.48Å; R499-E552 IonicContact NE-OE1 3.56Å; R499-E552 PolarHBondContact NE-OE1 3.06Å; R499-E552 IonicContact NH1-OE1 3.29Å; R499-E552 PolarHBondContact NH1-OE1 3.13Å; R499-E552 VanDerWaalsContact NH1-OE1 3.08Å; R499-E552 IonicContact NH2-OE1 3.16Å; L502-E552 HydrophobicContact CD2-CG 4.34Å; R503-E552 WeakPolarHBondContact CD-OE2 3.48Å; R503-E552 WeakPolarHBondContact CG-OE2 3.23Å; R503-E552 IonicContact CZ-OE1 3.73Å; R503-E552 IonicContact CZ-OE2 3.7Å; R503-E552 IonicContact NE-OE1 2.81Å; R503-E552 PolarHBondContact NE-OE1 2.95Å; R503-E552 IonicContact NE-OE2 2.77Å; R503-E552 PolarHBondContact NE-OE2 2.94Å; R503-E552 IonicContact NH2-OE1 3.69Å; R503-E552 PolarHBondContact NH2-OE1 2.82Å; R503-E552 IonicContact NH2-OE2 2.79Å; L506-E552 HydrophobicContact CD1-CB 3.88Å; N548-E552 WeakPolarHBondContact O-CG 3.34Å; N548-E552 PolarHBondContact O-N 3.42Å; G549-E552 PolarHBondContact O-N 3.11Å; L550-E552 PolarHBondContact O-N 3.41Å; E552-Q554 VanDerWaalsContact C-N 3.28Å; E552-Q554 PolarHBondContact O-N 2.94Å; E552-Q555 PolarHBondContact O-N 3.24Å; E552-A556 VanDerWaalsContact O-CB 3.31Å; E552-A556 WeakPolarHBondContact O-CB 3.37Å; E552-A556 PolarHBondContact O-N 3.37Å
553L85.6Confident78.6Confident1 Ų161 Ų611%0.00531%0.31CS..Hα-helixtrans-63.1-36.1174.3-71.6175.5000111.8L506 I540 L543 G549 L550 G557 I558 L559L506-L553 HydrophobicContact CD1-CD2 4.35Å; L506-L553 HydrophobicContact CD2-CD2 3.92Å; I540-L553 HydrophobicContact CG2-CD1 4.23Å; I540-L553 HydrophobicContact CG2-CD2 4.06Å; L543-L553 HydrophobicContact CB-CD1 3.88Å; L543-L553 HydrophobicContact CB-CD2 4.5Å; L543-L553 HydrophobicContact CB-CG 4.19Å; L543-L553 HydrophobicContact CD1-CD2 3.98Å; L543-L553 HydrophobicContact CD1-CG 4.35Å; G549-L553 WeakPolarHBondContact O-CB 3.17Å; G549-L553 VanDerWaalsContact O-CG 3.29Å; G549-L553 WeakPolarHBondContact O-CG 3.48Å; G549-L553 PolarHBondContact O-N 3.22Å; L550-L553 PolarHBondContact O-N 2.77Å; L553-G557 PolarHBondContact O-N 2.9Å; L553-I558 HydrophobicContact CD2-CB 4.5Å; L553-I558 HydrophobicContact CD2-CD1 3.76Å; L553-I558 PolarHBondContact O-N 3.48Å; L553-I558 VanDerWaalsContact O-N 3.11Å; L553-L559 HydrophobicContact CB-CD1 4.33Å; L553-L559 HydrophobicContact CB-CG 4.17Å
554Q82.7Confident76.9Confident128 Ų12865.9 Ų65.960%0.59834%0.336SS*.Hα-helixtrans-67.9-46.2173.7-171.4178.2-2.700111.3L550 L551 E552 A556 G557 L559L550-Q554 WeakPolarHBondContact O-CB 3.44Å; L550-Q554 PolarHBondContact O-N 3.26Å; L551-Q554 PolarHBondContact O-N 3.49Å; E552-Q554 VanDerWaalsContact C-N 3.28Å; E552-Q554 PolarHBondContact O-N 2.94Å; Q554-A556 VanDerWaalsContact C-N 3.32Å; Q554-A556 PolarHBondContact O-N 3.17Å; Q554-G557 PolarHBondContact O-N 3.05Å; Q554-L559 HydrophobicContact CB-CD1 4.13Å
555Q85.9Confident75.3Confident128 Ų12865 Ų6560%0.59833%0.328SS*.Hα-helixtrans-62.9-37.3177.6-73.6177.917.400112.4L551 E552 G557L551-Q555 WeakPolarHBondContact O-CG 3.43Å; L551-Q555 PolarHBondContact O-N 3.35Å; E552-Q555 PolarHBondContact O-N 3.24Å; Q555-G557 PolarHBondContact O-N 2.85Å
556A84.7Confident73.8Confident12 Ų1265.3 Ų65.310%0.09933%0.334CS..THydrogen-bonded Turntrans-73.1-4175.500000113.7L506 T510 E552 Q554 I558L506-A556 HydrophobicContact CB-CB 3.83Å; L506-A556 HydrophobicContact CD1-CB 4.34Å; T510-A556 WeakPolarHBondContact CG2-O 3.34Å; T510-A556 PolarHBondContact OG1-O 3.3Å; T510-A556 VanDerWaalsContact OG1-O 3.13Å; E552-A556 VanDerWaalsContact O-CB 3.31Å; E552-A556 WeakPolarHBondContact O-CB 3.37Å; E552-A556 PolarHBondContact O-N 3.37Å; Q554-A556 VanDerWaalsContact C-N 3.32Å; Q554-A556 PolarHBondContact O-N 3.17Å; A556-I558 VanDerWaalsContact C-N 3.27Å; A556-I558 HydrophobicContact CB-CD1 4.11Å; A556-I558 HydrophobicContact CB-CG1 4.16Å; A556-I558 PolarHBondContact O-N 3.42Å
557G79.6Confident71.9Confident19 Ų1969.8 Ų69.820%0.19636%0.359CS..THydrogen-bonded Turntrans71.514.9178.800000114.8L553 Q554 Q555 S560 R561L553-G557 PolarHBondContact O-N 2.9Å; Q554-G557 PolarHBondContact O-N 3.05Å; Q555-G557 PolarHBondContact O-N 2.85Å; G557-S560 WeakPolarHBondContact CA-OG 3.24Å; G557-S560 PolarHBondContact O-OG 3.46Å; G557-R561 WeakPolarHBondContact O-CG 3.2Å
558I78.2Confident70.2Confident1 Ų163.8 Ų63.81%0.00533%0.332CS..THydrogen-bonded Turntrans-72-41.7-177.4-64.8171.6000110.3L506 T510 I540 L553 A556 S560 R561L506-I558 HydrophobicContact CB-CD1 4.4Å; L506-I558 HydrophobicContact CD2-CD1 3.94Å; T510-I558 VanDerWaalsContact OG1-CG1 3.29Å; T510-I558 WeakPolarHBondContact OG1-CG1 3.45Å; I540-I558 HydrophobicContact CG2-CG2 4.5Å; L553-I558 HydrophobicContact CD2-CB 4.5Å; L553-I558 HydrophobicContact CD2-CD1 3.76Å; L553-I558 PolarHBondContact O-N 3.48Å; L553-I558 VanDerWaalsContact O-N 3.11Å; A556-I558 VanDerWaalsContact C-N 3.27Å; A556-I558 HydrophobicContact CB-CD1 4.11Å; A556-I558 HydrophobicContact CB-CG1 4.16Å; A556-I558 PolarHBondContact O-N 3.42Å; I558-S560 PolarHBondContact O-N 3.37Å; I558-R561 PolarHBondContact O-N 2.93Å
559L72.4Confident68.5Low57 Ų5760.5 Ų60.530%0.29831%0.314SS..G310 helixtrans-68.3-33.5-179.5-62.7177.7000112.9L553 Q554 R561 W573L553-L559 HydrophobicContact CB-CD1 4.33Å; L553-L559 HydrophobicContact CB-CG 4.17Å; Q554-L559 HydrophobicContact CB-CD1 4.13Å; L559-R561 VanDerWaalsContact C-N 3.28Å; L559-R561 PolarHBondContact O-N 2.8Å; L559-W573 HydrophobicContact CD2-CH2 3.96Å; L559-W573 HydrophobicContact CD2-CZ2 4.23Å
560S70.3Confident66.9Low87 Ų8764.9 Ų64.961%0.60833%0.334SS*.G310 helixtrans-72.7-18.3179.143.70000113.7G557 I558 Q562G557-S560 WeakPolarHBondContact CA-OG 3.24Å; G557-S560 PolarHBondContact O-OG 3.46Å; I558-S560 PolarHBondContact O-N 3.37Å; S560-Q562 VanDerWaalsContact C-N 3.29Å; S560-Q562 PolarHBondContact O-N 3.29Å
561R65.4Low65.3Low74 Ų7465.1 Ų65.128%0.27934%0.335SS..G310 helixtrans-84.59.2-176.4-79.6-173.1-179.9-173.36.3115T510 G557 I558 L559 H563 D564 F565T510-R561 VanDerWaalsContact CG2-CZ 3.42Å; T510-R561 PolarHBondContact O-NH1 3.41Å; G557-R561 WeakPolarHBondContact O-CG 3.2Å; I558-R561 PolarHBondContact O-N 2.93Å; L559-R561 VanDerWaalsContact C-N 3.28Å; L559-R561 PolarHBondContact O-N 2.8Å; R561-H563 PolarHBondContact O-N 3.3Å; R561-D564 PolarHBondContact O-N 3Å; R561-F565 HydrophobicContact CB-CE2 3.89Å; R561-F565 HydrophobicContact CB-CZ 4.19Å; R561-F565 WeakPolarHBondContact O-CD2 3.4Å; R561-F565 VanDerWaalsContact O-CE2 3.25Å; R561-F565 WeakPolarHBondContact O-CE2 3.47Å
562Q56.7Low63.8Low87 Ų8761.1 Ų61.141%0.40731%0.314SS..G310 helixtrans-50.6-32.6178.7-80.2-179.512.500113.9S560 F570 W573S560-Q562 VanDerWaalsContact C-N 3.29Å; S560-Q562 PolarHBondContact O-N 3.29Å; Q562-F570 WeakPolarHBondContact O-CD2 3.43Å; Q562-W573 HydrophobicContact CG-CE3 3.89Å; Q562-W573 HydrophobicContact CG-CH2 3.92Å; Q562-W573 HydrophobicContact CG-CZ3 3.39Å
563H51.5Low62.3Low171 Ų17162 Ų6279%0.79232%0.317SS*.G310 helixtrans-81.4-19.3-179.3-64.2-65000114.5R561R561-H563 PolarHBondContact O-N 3.3Å
564D50.6Low60.9Low103 Ų10364.3 Ų64.355%0.55133%0.331SS*.THydrogen-bonded Turntrans-95.6-5.3-172.1-63.8-24.4000113.3R561R561-D564 PolarHBondContact O-N 3Å
565F51.3Low59.6Low16 Ų1660.9 Ų60.97%0.0731%0.314CS..SBendtrans-74.7134.1-178.5-74-66.1000111.5L513 L518 R561 I569 F570L513-F565 HydrophobicContact CB-CE1 3.8Å; L513-F565 HydrophobicContact CB-CZ 4.22Å; L513-F565 HydrophobicContact CD1-CE1 4.28Å; L513-F565 HydrophobicContact CD1-CZ 4.11Å; L513-F565 HydrophobicContact CD2-CE1 3.67Å; L513-F565 HydrophobicContact CD2-CZ 4.27Å; L513-F565 HydrophobicContact CG-CE1 4.09Å; L513-F565 HydrophobicContact CG-CZ 4.41Å; L518-F565 HydrophobicContact CD1-CD1 3.9Å; R561-F565 HydrophobicContact CB-CE2 3.89Å; R561-F565 HydrophobicContact CB-CZ 4.19Å; R561-F565 WeakPolarHBondContact O-CD2 3.4Å; R561-F565 VanDerWaalsContact O-CE2 3.25Å; R561-F565 WeakPolarHBondContact O-CE2 3.47Å; F565-I569 HydrophobicContact CB-CB 4.26Å; F565-I569 HydrophobicContact CB-CG2 4.07Å; F565-I569 HydrophobicContact CD1-CB 3.98Å; F565-I569 HydrophobicContact CD1-CG2 3.2Å; F565-I569 HydrophobicContact CE1-CG2 3.73Å; F565-I569 HydrophobicContact CG-CB 4.41Å; F565-I569 HydrophobicContact CG-CG2 3.72Å; F565-F570 HydrophobicContact CB-CB 4.22Å
566S49.9Very low57.9Low40 Ų4055.3 Ų55.328%0.2829%0.289SS..  trans-52.3147.7167.473.90000109.6L568 I569 F570S566-L568 PolarHBondContact O-N 2.97Å; S566-I569 PolarHBondContact O-N 3.1Å; S566-F570 PolarHBondContact O-N 2.97Å
567L42.2Very low56.1Low141 Ų14156.4 Ų56.474%0.73830%0.295SS*.Hα-helixtrans-47.3-30.3-173.8-129.3149.3000113L571L567-L571 HydrophobicContact CD2-CD1 4.29Å; L567-L571 WeakPolarHBondContact O-CB 3.25Å; L567-L571 WeakPolarHBondContact O-CD1 3.36Å; L567-L571 WeakPolarHBondContact O-CG 3.45Å; L567-L571 PolarHBondContact O-N 3.2Å
568L43.8Very low54.4Low41 Ų4157.3 Ų57.322%0.21530%0.298CS..Hα-helixtrans-78.2-42.5179.4-144.4116.2000114.1L253 E525 S566 L571 V572L253-L568 HydrophobicContact CD2-CD2 3.77Å; E525-L568 HydrophobicContact CB-CD1 4.24Å; E525-L568 HydrophobicContact CB-CD2 3.97Å; E525-L568 HydrophobicContact CG-CD1 3.67Å; E525-L568 HydrophobicContact CG-CD2 3.72Å; E525-L568 HydrophobicContact CG-CG 4.33Å; E525-L568 VanDerWaalsContact OE1-CD1 3.28Å; E525-L568 WeakPolarHBondContact OE1-CD1 3.31Å; E525-L568 WeakPolarHBondContact OE2-CD1 3.29Å; S566-L568 PolarHBondContact O-N 2.97Å; L568-L571 CarbonylContact O-C 3.54Å; L568-L571 WeakPolarHBondContact O-CA 3.43Å; L568-L571 WeakPolarHBondContact O-CB 3.02Å; L568-L571 PolarHBondContact O-N 2.99Å; L568-L571 VanDerWaalsContact O-N 3.14Å; L568-V572 WeakPolarHBondContact O-CG2 3.06Å; L568-V572 PolarHBondContact O-N 3.08Å
569I50.6Low52.8Low2 Ų259.2 Ų59.21%0.0131%0.309CS..Hα-helixtrans-75-33.6174.3-72.2165.4000109.9L518 L523 F537 F565 S566 L571 V572 W573L518-I569 HydrophobicContact CB-CD1 4Å; L518-I569 HydrophobicContact CD1-CD1 3.71Å; L518-I569 HydrophobicContact CD2-CD1 3.07Å; L518-I569 HydrophobicContact CG-CD1 3.69Å; L523-I569 HydrophobicContact CB-CD1 4.34Å; F537-I569 HydrophobicContact CE1-CG2 3.92Å; F537-I569 HydrophobicContact CZ-CG1 4.24Å; F537-I569 HydrophobicContact CZ-CG2 3.66Å; F565-I569 HydrophobicContact CB-CB 4.26Å; F565-I569 HydrophobicContact CB-CG2 4.07Å; F565-I569 HydrophobicContact CD1-CB 3.98Å; F565-I569 HydrophobicContact CD1-CG2 3.2Å; F565-I569 HydrophobicContact CE1-CG2 3.73Å; F565-I569 HydrophobicContact CG-CB 4.41Å; F565-I569 HydrophobicContact CG-CG2 3.72Å; S566-I569 PolarHBondContact O-N 3.1Å; I569-L571 PolarHBondContact O-N 3.33Å; I569-V572 PolarHBondContact O-N 3Å; I569-W573 WeakPolarHBondContact O-CB 3.48Å; I569-W573 PolarHBondContact O-N 3.44Å
570F50.2Low51.2Low92 Ų9258.9 Ų58.940%0.40431%0.31SS..Hα-helixtrans-57.2-40.6164.4-172.6-100.5000110.6Q562 F565 S566 V574Q562-F570 WeakPolarHBondContact O-CD2 3.43Å; F565-F570 HydrophobicContact CB-CB 4.22Å; S566-F570 PolarHBondContact O-N 2.97Å; F570-V574 HydrophobicContact CD1-CG2 3.74Å; F570-V574 HydrophobicContact CD2-CG2 4Å; F570-V574 HydrophobicContact CE1-CG2 3.48Å; F570-V574 VanDerWaalsContact CE1-CG2 3.48Å; F570-V574 HydrophobicContact CE2-CG2 3.73Å; F570-V574 HydrophobicContact CG-CG2 4.01Å; F570-V574 HydrophobicContact CZ-CG2 3.47Å; F570-V574 VanDerWaalsContact CZ-CG2 3.47Å; F570-V574 WeakPolarHBondContact O-CA 3.5Å; F570-V574 WeakPolarHBondContact O-CB 3.41Å; F570-V574 WeakPolarHBondContact O-CG2 3.28Å; F570-V574 PolarHBondContact O-N 3.07Å
571L47.9Very low49.6Very low77 Ų7758.8 Ų58.840%0.40331%0.305SS..Hα-helixtrans-67.4-37.8173.9-80.6163.8000113.5L567 L568 I569 K575L567-L571 HydrophobicContact CD2-CD1 4.29Å; L567-L571 WeakPolarHBondContact O-CB 3.25Å; L567-L571 WeakPolarHBondContact O-CD1 3.36Å; L567-L571 WeakPolarHBondContact O-CG 3.45Å; L567-L571 PolarHBondContact O-N 3.2Å; L568-L571 CarbonylContact O-C 3.54Å; L568-L571 WeakPolarHBondContact O-CA 3.43Å; L568-L571 WeakPolarHBondContact O-CB 3.02Å; L568-L571 PolarHBondContact O-N 2.99Å; L568-L571 VanDerWaalsContact O-N 3.14Å; I569-L571 PolarHBondContact O-N 3.33Å; L571-K575 WeakPolarHBondContact O-CA 3.46Å; L571-K575 WeakPolarHBondContact O-CB 3.33Å; L571-K575 WeakPolarHBondContact O-CG 3.46Å; L571-K575 PolarHBondContact O-N 3.04Å
572V53.3Low48.2Very low3 Ų360.3 Ų60.32%0.01832%0.319CS..Hα-helixtrans-65.7-51.9173.1-177.80000109.8L253 F537 L568 I569 V574 K575 V576L253-V572 HydrophobicContact CD1-CB 4.49Å; L253-V572 HydrophobicContact CD1-CG1 4.21Å; L253-V572 HydrophobicContact CD1-CG2 3.54Å; L253-V572 HydrophobicContact CD2-CG2 3.5Å; L253-V572 VanDerWaalsContact CD2-CG2 3.5Å; L253-V572 HydrophobicContact CG-CG2 3.8Å; F537-V572 HydrophobicContact CD2-CG1 4.09Å; F537-V572 HydrophobicContact CE2-CG1 4.4Å; F537-V572 HydrophobicContact CG-CG1 4.2Å; L568-V572 WeakPolarHBondContact O-CG2 3.06Å; L568-V572 PolarHBondContact O-N 3.08Å; I569-V572 PolarHBondContact O-N 3Å; V572-V574 PolarHBondContact O-N 2.75Å; V572-K575 PolarHBondContact O-N 3.31Å; V572-V576 HydrophobicContact CG1-CG2 4.21Å; V572-V576 VanDerWaalsContact O-CB 3.25Å; V572-V576 WeakPolarHBondContact O-CB 3.3Å; V572-V576 WeakPolarHBondContact O-CG2 3.49Å; V572-V576 PolarHBondContact O-N 3.18Å
573W56.5Low47.3Very low21 Ų2159.9 Ų59.98%0.0832%0.317CS..Hα-helixtrans-64.3-39.8-177.9-137.882.2000110.6F537 L559 Q562 I569 V576 T577F537-W573 AromaticContact CD1-CD1 3.72Å; F537-W573 AromaticContact CE1-CD1 3.69Å; L559-W573 HydrophobicContact CD2-CH2 3.96Å; L559-W573 HydrophobicContact CD2-CZ2 4.23Å; Q562-W573 HydrophobicContact CG-CE3 3.89Å; Q562-W573 HydrophobicContact CG-CH2 3.92Å; Q562-W573 HydrophobicContact CG-CZ3 3.39Å; I569-W573 WeakPolarHBondContact O-CB 3.48Å; I569-W573 PolarHBondContact O-N 3.44Å; W573-V576 PolarHBondContact O-N 2.79Å; W573-T577 HydrophobicContact CD2-CG2 3.97Å; W573-T577 HydrophobicContact CE3-CG2 3.5Å; W573-T577 HydrophobicContact CH2-CG2 4.13Å; W573-T577 HydrophobicContact CZ3-CG2 3.54Å; W573-T577 WeakPolarHBondContact O-CA 3.35Å; W573-T577 WeakPolarHBondContact O-CB 3.2Å; W573-T577 VanDerWaalsContact O-CG2 3.24Å; W573-T577 WeakPolarHBondContact O-CG2 3.38Å; W573-T577 PolarHBondContact O-N 2.75Å; W573-T577 PolarHBondContact O-OG1 3.25Å
574V54.6Low46.3Very low51 Ų5156 Ų5631%0.30931%0.309SS..Hα-helixtrans-71.9-40172.3171.30000111.7F570 V572 V576 T577 S578F570-V574 HydrophobicContact CD1-CG2 3.74Å; F570-V574 HydrophobicContact CD2-CG2 4Å; F570-V574 HydrophobicContact CE1-CG2 3.48Å; F570-V574 VanDerWaalsContact CE1-CG2 3.48Å; F570-V574 HydrophobicContact CE2-CG2 3.73Å; F570-V574 HydrophobicContact CG-CG2 4.01Å; F570-V574 HydrophobicContact CZ-CG2 3.47Å; F570-V574 VanDerWaalsContact CZ-CG2 3.47Å; F570-V574 WeakPolarHBondContact O-CA 3.5Å; F570-V574 WeakPolarHBondContact O-CB 3.41Å; F570-V574 WeakPolarHBondContact O-CG2 3.28Å; F570-V574 PolarHBondContact O-N 3.07Å; V572-V574 PolarHBondContact O-N 2.75Å; V574-V576 PolarHBondContact O-N 3.42Å; V574-T577 PolarHBondContact O-N 3.26Å; V574-S578 WeakPolarHBondContact O-CA 3.5Å; V574-S578 WeakPolarHBondContact O-CB 3.03Å; V574-S578 PolarHBondContact O-N 2.74Å; V574-S578 PolarHBondContact O-OG 3.06Å
575K55.8Low45.3Very low56 Ų5655.6 Ų55.624%0.24331%0.31CS..Hα-helixtrans-64.3-30.5173.4-77.7178.1-175.7-175.40111.6L253 R255 L571 V572 V579L253-K575 PolarHBondContact O-NZ 3.08Å; R255-K575 PolarHBondContact O-NZ 3.12Å; L571-K575 WeakPolarHBondContact O-CA 3.46Å; L571-K575 WeakPolarHBondContact O-CB 3.33Å; L571-K575 WeakPolarHBondContact O-CG 3.46Å; L571-K575 PolarHBondContact O-N 3.04Å; V572-K575 PolarHBondContact O-N 3.31Å; K575-V579 VanDerWaalsContact O-CG2 3.31Å; K575-V579 WeakPolarHBondContact O-CG2 3.35Å
576V50.9Low44.2Very low10 Ų1063.7 Ų63.76%0.06134%0.34CS..Hα-helixtrans-82.5-40.9177173.60000111.5F257 V378 L541 V572 W573 V574F257-V576 HydrophobicContact CE1-CG2 4.38Å; V378-V576 HydrophobicContact CG1-CB 4.4Å; V378-V576 HydrophobicContact CG1-CG1 3.88Å; V378-V576 HydrophobicContact CG1-CG2 3.89Å; V378-V576 HydrophobicContact CG2-CG2 4.38Å; L541-V576 HydrophobicContact CD1-CG1 4.27Å; L541-V576 HydrophobicContact CD2-CG1 4.34Å; V572-V576 HydrophobicContact CG1-CG2 4.21Å; V572-V576 VanDerWaalsContact O-CB 3.25Å; V572-V576 WeakPolarHBondContact O-CB 3.3Å; V572-V576 WeakPolarHBondContact O-CG2 3.49Å; V572-V576 PolarHBondContact O-N 3.18Å; W573-V576 PolarHBondContact O-N 2.79Å; V574-V576 PolarHBondContact O-N 3.42Å
577T46.3Very low43.1Very low36 Ų3667.3 Ų67.322%0.22136%0.356CS..Hα-helixtrans-90-27.5-176.457.60000114.4W573 V574 V579 V580 T581W573-T577 HydrophobicContact CD2-CG2 3.97Å; W573-T577 HydrophobicContact CE3-CG2 3.5Å; W573-T577 HydrophobicContact CH2-CG2 4.13Å; W573-T577 HydrophobicContact CZ3-CG2 3.54Å; W573-T577 WeakPolarHBondContact O-CA 3.35Å; W573-T577 WeakPolarHBondContact O-CB 3.2Å; W573-T577 VanDerWaalsContact O-CG2 3.24Å; W573-T577 WeakPolarHBondContact O-CG2 3.38Å; W573-T577 PolarHBondContact O-N 2.75Å; W573-T577 PolarHBondContact O-OG1 3.25Å; V574-T577 PolarHBondContact O-N 3.26Å; T577-V579 PolarHBondContact O-N 2.99Å; T577-V580 CarbonylContact O-C 3.53Å; T577-V580 WeakPolarHBondContact O-CA 3.15Å; T577-V580 WeakPolarHBondContact O-CB 3.39Å; T577-V580 PolarHBondContact O-N 3.39Å; T577-T581 PolarHBondContact O-N 3.39Å; T577-T581 PolarHBondContact O-OG1 3.09Å; T577-T581 VanDerWaalsContact O-OG1 3.11Å
578S43.9Very low42.4Very low37 Ų3765.9 Ų65.926%0.25935%0.353SS..Hα-helixtrans-63.7-24.7171.266.90000112.2V574 V580 T581 N582V574-S578 WeakPolarHBondContact O-CA 3.5Å; V574-S578 WeakPolarHBondContact O-CB 3.03Å; V574-S578 PolarHBondContact O-N 2.74Å; V574-S578 PolarHBondContact O-OG 3.06Å; S578-V580 VanDerWaalsContact C-N 3.33Å; S578-T581 WeakPolarHBondContact CA-OG1 3.3Å; S578-N582 VanDerWaalsContact O-CB 3.27Å; S578-N582 WeakPolarHBondContact O-CB 3.25Å; S578-N582 PolarHBondContact O-N 3.02Å; S578-N582 PolarHBondContact O-ND2 3.39Å
579V45.2Very low41.7Very low41 Ų4169.7 Ų69.725%0.24837%0.372CS..Hα-helixtrans-69.9-34.5170178.90000110.6L382 K575 T577L382-V579 HydrophobicContact CD1-CB 4.37Å; L382-V579 HydrophobicContact CD1-CG1 3.77Å; K575-V579 VanDerWaalsContact O-CG2 3.31Å; K575-V579 WeakPolarHBondContact O-CG2 3.35Å; T577-V579 PolarHBondContact O-N 2.99Å
580V39.3Very low40.5Very low51 Ų5177 Ų7731%0.30941%0.411SS..Hα-helixtrans-79.3-34.7178-177.60000112L382 L541 T577 S578L382-V580 HydrophobicContact CD2-CG2 4.15Å; L541-V580 HydrophobicContact CD1-CG2 4.33Å; T577-V580 CarbonylContact O-C 3.53Å; T577-V580 WeakPolarHBondContact O-CA 3.15Å; T577-V580 WeakPolarHBondContact O-CB 3.39Å; T577-V580 PolarHBondContact O-N 3.39Å; S578-V580 VanDerWaalsContact C-N 3.33Å
581T36.7Very low39.5Very low84 Ų8484.2 Ų84.252%0.51545%0.447SS..Hα-helixtrans-93.1-23.3-174.5570000114.9T577 S578 S584T577-T581 PolarHBondContact O-N 3.39Å; T577-T581 PolarHBondContact O-OG1 3.09Å; T577-T581 VanDerWaalsContact O-OG1 3.11Å; S578-T581 WeakPolarHBondContact CA-OG1 3.3Å; T581-S584 PolarHBondContact O-OG 3.3Å; T581-S584 VanDerWaalsContact O-OG 3.04Å
582N35.6Very low39.1Very low107 Ų10784.6 Ų84.657%0.57245%0.449SS*.THydrogen-bonded Turntrans-80.7-15.1175.7-85-45.9000114S578 R586S578-N582 VanDerWaalsContact O-CB 3.27Å; S578-N582 WeakPolarHBondContact O-CB 3.25Å; S578-N582 PolarHBondContact O-N 3.02Å; S578-N582 PolarHBondContact O-ND2 3.39Å; N582-R586 PolarHBondContact O-N 3.34Å
583E38.2Very low38.3Very low77 Ų7788.8 Ų88.836%0.3647%0.471SS..THydrogen-bonded Turntrans-90.8-18.6179.1-90.5-171.6167.100115V585 R586 L587E583-V585 PolarHBondContact O-N 3.06Å; E583-V585 VanDerWaalsContact O-N 3.13Å; E583-R586 PolarHBondContact O-N 3.09Å; E583-R586 VanDerWaalsContact O-N 3.09Å; E583-L587 HydrophobicContact CB-CD1 4.49Å; E583-L587 PolarHBondContact O-N 2.94Å
584S29.5Very low37.3Very low90 Ų9092.6 Ų92.663%0.62949%0.493SS*.THydrogen-bonded Turntrans-63.5-14.4163.952.40000112.6T581 T588T581-S584 PolarHBondContact O-OG 3.3Å; T581-S584 VanDerWaalsContact O-OG 3.04Å; S584-T588 PolarHBondContact O-OG1 3.12Å
585V29.1Very low36.3Very low94 Ų9495.1 Ų95.157%0.5750%0.504SS*.THydrogen-bonded Turntrans-101.9-14.2173.8-178.10000112.9E583E583-V585 PolarHBondContact O-N 3.06Å; E583-V585 VanDerWaalsContact O-N 3.13Å
586R28.6Very low35.1Very low186 Ų18697.5 Ų97.570%0.70252%0.52SS*.THydrogen-bonded Turntrans-105.3-24.8179.6-82.6-174.4170-177.6-1.7114.9N582 E583 T588 I589N582-R586 PolarHBondContact O-N 3.34Å; E583-R586 PolarHBondContact O-N 3.09Å; E583-R586 VanDerWaalsContact O-N 3.09Å; R586-T588 PolarHBondContact O-N 3.3Å; R586-I589 PolarHBondContact O-N 3.26Å; R586-I589 VanDerWaalsContact O-N 3.15Å
587L27.8Very low34Very low116 Ų116103.3 Ų103.361%0.60755%0.551SS**THydrogen-bonded Turntrans-74.2-7.5174.2-73.8166.6000113.4E583E583-L587 HydrophobicContact CB-CD1 4.49Å; E583-L587 PolarHBondContact O-N 2.94Å
588T27Very low33.2Very low111 Ų111108.1 Ų108.168%0.68157%0.574SS**THydrogen-bonded Turntrans-92.34.2168.616.70000114.2S584 R586S584-T588 PolarHBondContact O-OG1 3.12Å; R586-T588 PolarHBondContact O-N 3.3Å
589I29.2Very low32.3Very low121 Ų121113.6 Ų113.662%0.62160%0.599SS**SBendtrans-112.2-4179.2-61.5176.9000112.4R586R586-I589 PolarHBondContact O-N 3.26Å; R586-I589 VanDerWaalsContact O-N 3.15Å
590N25.4Very low31.3Very low155 Ų155119.7 Ų119.783%0.82963%0.628SS**  trans-128.235.3175.3-82.1-24.9000113.5
591Q28.7Very low30.5Very low244 Ų244125.9 Ų125.9100%1.1466%0.657SS**  trans-110.70143.4-74.8-173.6-9.100106.9

Retrieved 591 of 591 residues in 485.1 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).