A0A087YJ13_POEFO Loading...

COP9 signalosome complex subunit 3

AlphaFold DB , UniProt , Accession A0A087YJ13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 aa.

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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
1M42.6Very low61Low182 Ų18271 Ų7190%0.89739%0.394SS*.  0-44.30-79.5-166.1-86.400112.1S3 A4M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.34Å; M1-A4 PolarHBondContact O-N 3.44Å
2A47Very low61.7Low57 Ų5765.1 Ų65.147%0.47136%0.361SS..Hα-helixtrans-59.8-35169.400000114.1A4 L5 E6A2-A4 VanDerWaalsContact C-N 3.3Å; A2-A4 PolarHBondContact O-N 3.11Å; A2-L5 PolarHBondContact O-N 3.43Å; A2-E6 WeakPolarHBondContact O-CG 3.38Å; A2-E6 PolarHBondContact O-N 3.5Å; A2-E6 VanDerWaalsContact O-N 3.07Å
3S59.2Low62.3Low70 Ų7068.4 Ų68.449%0.4937%0.365SS..Hα-helixtrans-62-30.3-179.466.30000114.8M1 Q7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.34Å; S3-Q7 VanDerWaalsContact O-CB 3.3Å; S3-Q7 WeakPolarHBondContact O-CB 3.41Å; S3-Q7 WeakPolarHBondContact O-CG 3.43Å; S3-Q7 PolarHBondContact O-N 2.61Å
4A60.7Low63Low42 Ų4271.1 Ų71.135%0.34737%0.374SS..Hα-helixtrans-76.5-33.2-179.100000111.9M1 A2 F8M1-A4 PolarHBondContact O-N 3.44Å; A2-A4 VanDerWaalsContact C-N 3.3Å; A2-A4 PolarHBondContact O-N 3.11Å; A4-F8 WeakPolarHBondContact O-CB 3.49Å; A4-F8 PolarHBondContact O-N 2.97Å
5L62.1Low63.2Low10 Ų1067.6 Ų67.65%0.05236%0.356CS..Hα-helixtrans-73.7-40.8174-73.4171.2000111.6A2 Q7 F8 V9 L35 N38 H41A2-L5 PolarHBondContact O-N 3.43Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-F8 WeakPolarHBondContact O-CB 3.34Å; L5-F8 PolarHBondContact O-N 3.33Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 2.79Å; L5-L35 HydrophobicContact CD2-CD2 3.79Å; L5-N38 HydrophobicContact CD1-CB 3.47Å; L5-N38 VanDerWaalsContact CD1-CB 3.47Å; L5-N38 HydrophobicContact CD2-CB 4.38Å; L5-N38 HydrophobicContact CG-CB 4.23Å; L5-H41 HydrophobicContact CD1-CB 3.99Å
6E63.5Low63.3Low120 Ų12064.5 Ų64.556%0.56134%0.341SS*.Hα-helixtrans-63.8-39.6174.3-71.5169.7-177.300111.2A2 V9 N10A2-E6 WeakPolarHBondContact O-CG 3.38Å; A2-E6 PolarHBondContact O-N 3.5Å; A2-E6 VanDerWaalsContact O-N 3.07Å; E6-V9 PolarHBondContact O-N 2.86Å; E6-N10 WeakPolarHBondContact O-CB 3.45Å; E6-N10 PolarHBondContact O-N 2.73Å; E6-N10 PolarHBondContact O-ND2 3.49Å; E6-N10 VanDerWaalsContact O-ND2 3.16Å
7Q65.3Low63.4Low122 Ų12266.1 Ų66.157%0.5737%0.366SS*.Hα-helixtrans-63.4-39.7170.8-78.3177.4-11.400112.3S3 L5 N10 N11S3-Q7 VanDerWaalsContact O-CB 3.3Å; S3-Q7 WeakPolarHBondContact O-CB 3.41Å; S3-Q7 WeakPolarHBondContact O-CG 3.43Å; S3-Q7 PolarHBondContact O-N 2.61Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; Q7-N10 PolarHBondContact O-N 3.24Å; Q7-N11 VanDerWaalsContact O-CB 3.28Å; Q7-N11 WeakPolarHBondContact O-CB 3.47Å; Q7-N11 PolarHBondContact O-N 3.45Å; Q7-N11 PolarHBondContact O-ND2 3.13Å
8F67.6Low63.5Low14 Ų1468.4 Ų68.46%0.06137%0.373CS..Hα-helixtrans-60.7-49.3173.8177.6-98.4000111.5A4 L5 N10 N11 V12 L27 S31 L35A4-F8 WeakPolarHBondContact O-CB 3.49Å; A4-F8 PolarHBondContact O-N 2.97Å; L5-F8 WeakPolarHBondContact O-CB 3.34Å; L5-F8 PolarHBondContact O-N 3.33Å; F8-N10 VanDerWaalsContact C-N 3.35Å; F8-N10 PolarHBondContact O-N 3.15Å; F8-N11 PolarHBondContact O-N 3.43Å; F8-V12 HydrophobicContact CD1-CG2 4.13Å; F8-V12 HydrophobicContact CD2-CG2 4.34Å; F8-V12 HydrophobicContact CE1-CG2 3.81Å; F8-V12 HydrophobicContact CE2-CG2 4.02Å; F8-V12 HydrophobicContact CG-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.76Å; F8-V12 WeakPolarHBondContact O-CB 3.38Å; F8-V12 WeakPolarHBondContact O-CG2 3.34Å; F8-V12 PolarHBondContact O-N 2.94Å; F8-L27 HydrophobicContact CD2-CD2 3.4Å; F8-L27 HydrophobicContact CE2-CD2 3.45Å; F8-L27 VanDerWaalsContact CE2-CD2 3.45Å; F8-S31 WeakPolarHBondContact CE2-OG 3.41Å; F8-L35 HydrophobicContact CD1-CD2 4.32Å; F8-L35 HydrophobicContact CE1-CD1 4.39Å; F8-L35 HydrophobicContact CE1-CD2 4.24Å; F8-L35 HydrophobicContact CZ-CD1 4.2Å
9V67.1Low63.4Low11 Ų1167.4 Ų67.47%0.06738%0.381CS..Hα-helixtrans-61.8-42.1178.3174.70000111.7L5 E6 V12 R13 V45 L49L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 2.79Å; E6-V9 PolarHBondContact O-N 2.86Å; V9-V12 PolarHBondContact O-N 2.94Å; V9-R13 WeakPolarHBondContact O-CG 3.29Å; V9-R13 PolarHBondContact O-N 2.88Å; V9-V45 HydrophobicContact CG2-CB 4.32Å; V9-V45 HydrophobicContact CG2-CG1 3.52Å; V9-V45 HydrophobicContact CG2-CG2 4.11Å; V9-L49 HydrophobicContact CG1-CD2 4.28Å; V9-L49 HydrophobicContact CG1-CG 4.41Å; V9-L49 HydrophobicContact CG2-CD1 4.45Å
10N69.1Low63.5Low88 Ų8868.2 Ų68.247%0.47138%0.381SS..Hα-helixtrans-67.2-38.9177.8-70.3-25.1000112.2E6 Q7 F8 R13 Q14E6-N10 WeakPolarHBondContact O-CB 3.45Å; E6-N10 PolarHBondContact O-N 2.73Å; E6-N10 PolarHBondContact O-ND2 3.49Å; E6-N10 VanDerWaalsContact O-ND2 3.16Å; Q7-N10 PolarHBondContact O-N 3.24Å; F8-N10 VanDerWaalsContact C-N 3.35Å; F8-N10 PolarHBondContact O-N 3.15Å; N10-R13 PolarHBondContact O-N 3.3Å; N10-Q14 WeakPolarHBondContact O-CB 3.49Å; N10-Q14 PolarHBondContact O-N 3.36Å
11N67.3Low63.4Low65 Ų6565.9 Ų65.935%0.34837%0.368SS..Hα-helixtrans-67-40.5174.8-71.2-16.6000111.5Q7 F8 R13 Q14 L15 L27Q7-N11 VanDerWaalsContact O-CB 3.28Å; Q7-N11 WeakPolarHBondContact O-CB 3.47Å; Q7-N11 PolarHBondContact O-N 3.45Å; Q7-N11 PolarHBondContact O-ND2 3.13Å; F8-N11 PolarHBondContact O-N 3.43Å; N11-R13 VanDerWaalsContact C-N 3.33Å; N11-R13 PolarHBondContact O-N 3.27Å; N11-Q14 PolarHBondContact O-N 3.28Å; N11-L15 VanDerWaalsContact O-CB 3.26Å; N11-L15 WeakPolarHBondContact O-CB 3.43Å; N11-L15 VanDerWaalsContact O-CG 3.23Å; N11-L15 WeakPolarHBondContact O-CG 3.48Å; N11-L15 PolarHBondContact O-N 2.97Å; N11-L27 HydrophobicContact CB-CD1 4.1Å
12V69.1Low64.6Low0 Ų062 Ų620%036%0.355CS..Hα-helixtrans-62.9-41.2176172.50000110.5F8 V9 S16 L24 L49 H54F8-V12 HydrophobicContact CD1-CG2 4.13Å; F8-V12 HydrophobicContact CD2-CG2 4.34Å; F8-V12 HydrophobicContact CE1-CG2 3.81Å; F8-V12 HydrophobicContact CE2-CG2 4.02Å; F8-V12 HydrophobicContact CG-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.76Å; F8-V12 WeakPolarHBondContact O-CB 3.38Å; F8-V12 WeakPolarHBondContact O-CG2 3.34Å; F8-V12 PolarHBondContact O-N 2.94Å; V9-V12 PolarHBondContact O-N 2.94Å; V12-S16 WeakPolarHBondContact O-CB 3.39Å; V12-S16 PolarHBondContact O-N 3.41Å; V12-L24 HydrophobicContact CB-CD1 4.18Å; V12-L24 HydrophobicContact CG1-CD1 4.25Å; V12-L24 HydrophobicContact CG2-CD1 3.88Å; V12-L49 HydrophobicContact CB-CD2 4.42Å; V12-L49 HydrophobicContact CG1-CD2 3.82Å; V12-H54 HydrophobicContact CG1-CB 3.9Å
13R69.7Low65.5Low108 Ų10864 Ų6441%0.40835%0.354SS..Hα-helixtrans-64.6-45.1173.8-73.8172.8177.1-177.1-1.9113.3V9 N10 N11 A17 A48 H54V9-R13 WeakPolarHBondContact O-CG 3.29Å; V9-R13 PolarHBondContact O-N 2.88Å; N10-R13 PolarHBondContact O-N 3.3Å; N11-R13 VanDerWaalsContact C-N 3.33Å; N11-R13 PolarHBondContact O-N 3.27Å; R13-A17 VanDerWaalsContact O-CB 3.3Å; R13-A17 WeakPolarHBondContact O-CB 3.44Å; R13-A17 PolarHBondContact O-N 3.26Å; R13-A48 PolarHBondContact NH2-O 2.85Å; R13-H54 VanDerWaalsContact CA-NE2 3.34Å; R13-H54 WeakPolarHBondContact CA-NE2 3.4Å; R13-H54 WeakPolarHBondContact CG-NE2 3.45Å
14Q71.2Confident65.8Low107 Ų10760.8 Ų60.850%0.533%0.331SS..Hα-helixtrans-67.9-43.9-178.7-172174.510.400111.9N10 N11 A17 Q18N10-Q14 WeakPolarHBondContact O-CB 3.49Å; N10-Q14 PolarHBondContact O-N 3.36Å; N11-Q14 PolarHBondContact O-N 3.28Å; Q14-A17 PolarHBondContact O-N 2.94Å; Q14-Q18 WeakPolarHBondContact O-CB 3.32Å; Q14-Q18 WeakPolarHBondContact O-CG 3.29Å; Q14-Q18 PolarHBondContact O-N 3.05Å
15L67.2Low66Low18 Ų1859.9 Ų59.99%0.09432%0.322CS..Hα-helixtrans-72.3-33.7179.9-69.1169.9000112.3N11 Q18 G19 Q20 Q23 L24 L27N11-L15 VanDerWaalsContact O-CB 3.26Å; N11-L15 WeakPolarHBondContact O-CB 3.43Å; N11-L15 VanDerWaalsContact O-CG 3.23Å; N11-L15 WeakPolarHBondContact O-CG 3.48Å; N11-L15 PolarHBondContact O-N 2.97Å; L15-Q18 PolarHBondContact O-N 2.82Å; L15-G19 PolarHBondContact O-N 3.4Å; L15-G19 VanDerWaalsContact O-N 3.11Å; L15-Q20 HydrophobicContact CD2-CB 4.25Å; L15-Q20 PolarHBondContact O-N 3.23Å; L15-Q23 HydrophobicContact CD2-CB 4.4Å; L15-L24 HydrophobicContact CB-CD1 4.12Å; L15-L24 HydrophobicContact CD1-CD1 4.05Å; L15-L27 HydrophobicContact CD1-CD1 3.88Å
16S64.2Low66.3Low18 Ų1864.4 Ų64.413%0.12634%0.343CS..Hα-helixtrans-64.7-47.3171.5-177.70000111.3V12 Q18 G19 E53V12-S16 WeakPolarHBondContact O-CB 3.39Å; V12-S16 PolarHBondContact O-N 3.41Å; S16-Q18 PolarHBondContact O-N 2.99Å; S16-G19 PolarHBondContact O-N 2.96Å; S16-G19 VanDerWaalsContact O-N 3.15Å; S16-E53 PolarHBondContact OG-O 3.42Å
17A65.6Low66.5Low92 Ų9260.8 Ų60.876%0.7633%0.328SS*.Hα-helixtrans-63.7-25175.900000113.7R13 Q14R13-A17 VanDerWaalsContact O-CB 3.3Å; R13-A17 WeakPolarHBondContact O-CB 3.44Å; R13-A17 PolarHBondContact O-N 3.26Å; Q14-A17 PolarHBondContact O-N 2.94Å
18Q64.8Low66.5Low107 Ų10755.4 Ų55.450%0.530%0.302SS..THydrogen-bonded Turntrans-92-5.9178.4-71.7175.23.700113.9Q14 L15 S16 Q20Q14-Q18 WeakPolarHBondContact O-CB 3.32Å; Q14-Q18 WeakPolarHBondContact O-CG 3.29Å; Q14-Q18 PolarHBondContact O-N 3.05Å; L15-Q18 PolarHBondContact O-N 2.82Å; S16-Q18 PolarHBondContact O-N 2.99Å; Q18-Q20 PolarHBondContact O-N 3.38Å
19G62.3Low66.5Low50 Ų5060.2 Ų60.252%0.51533%0.329SS..THydrogen-bonded Turntrans68.711.3-17900000115.1L15 S16 M21L15-G19 PolarHBondContact O-N 3.4Å; L15-G19 VanDerWaalsContact O-N 3.11Å; S16-G19 PolarHBondContact O-N 2.96Å; S16-G19 VanDerWaalsContact O-N 3.15Å; G19-M21 VanDerWaalsContact C-N 3.29Å; G19-M21 PolarHBondContact O-N 3.1Å
20Q65.2Low66.5Low83 Ų8366.7 Ų66.739%0.38836%0.356SS..  trans-85.369.1-179.4-69.8-171.7-3.800111.4L15 Q18 T22 Q23 L24L15-Q20 HydrophobicContact CD2-CB 4.25Å; L15-Q20 PolarHBondContact O-N 3.23Å; Q18-Q20 PolarHBondContact O-N 3.38Å; Q20-T22 VanDerWaalsContact C-N 3.34Å; Q20-T22 PolarHBondContact O-N 2.88Å; Q20-Q23 PolarHBondContact O-N 3.38Å; Q20-Q23 VanDerWaalsContact OE1-CD 3.28Å; Q20-Q23 VanDerWaalsContact OE1-OE1 3.05Å; Q20-L24 PolarHBondContact O-N 2.88Å
21M61.4Low66.1Low19 Ų1962.8 Ų62.89%0.09434%0.336CS..Hα-helixtrans-62.7-32.9-174.8-64.2-87.6144.400113.7G19 L24 C25 H92 Y95G19-M21 VanDerWaalsContact C-N 3.29Å; G19-M21 PolarHBondContact O-N 3.1Å; M21-L24 WeakPolarHBondContact O-CB 3.48Å; M21-L24 PolarHBondContact O-N 3.43Å; M21-C25 PolarHBondContact O-N 2.91Å; M21-C25 PolarHBondContact O-SG 3.31Å; M21-C25 VanDerWaalsContact O-SG 3.35Å; M21-H92 WeakPolarHBondContact CE-CD2 3.4Å; M21-H92 WeakPolarHBondContact CE-NE2 3.26Å; M21-H92 HydrophobicContact SD-CB 4.19Å; M21-H92 PolarHBondContact SD-CD2 3.28Å; M21-Y95 HydrophobicContact CB-CD1 4.32Å; M21-Y95 HydrophobicContact CB-CD2 3.93Å; M21-Y95 HydrophobicContact CB-CE2 4.2Å; M21-Y95 HydrophobicContact CB-CG 4Å; M21-Y95 HydrophobicContact CG-CD2 4.07Å; M21-Y95 HydrophobicContact CG-CE2 4.08Å; M21-Y95 HydrophobicContact SD-CD2 4.25Å
22T67.1Low65.8Low102 Ų10260.9 Ų60.963%0.62633%0.332SS*.Hα-helixtrans-70.1-41.6-178.150.20000112.7Q20 L24 C25 E26Q20-T22 VanDerWaalsContact C-N 3.34Å; Q20-T22 PolarHBondContact O-N 2.88Å; T22-L24 VanDerWaalsContact C-N 3.26Å; T22-L24 PolarHBondContact O-N 2.89Å; T22-C25 PolarHBondContact O-N 2.79Å; T22-E26 PolarHBondContact O-N 3.03Å
23Q65.3Low65.4Low97 Ų9768 Ų6845%0.45337%0.365SS..Hα-helixtrans-66.8-32.6174.4-66.1-177.612.600111.2L15 Q20 E26 L27L15-Q23 HydrophobicContact CD2-CB 4.4Å; Q20-Q23 PolarHBondContact O-N 3.38Å; Q20-Q23 VanDerWaalsContact OE1-CD 3.28Å; Q20-Q23 VanDerWaalsContact OE1-OE1 3.05Å; Q23-E26 PolarHBondContact O-N 3.39Å; Q23-L27 WeakPolarHBondContact O-CB 3.17Å; Q23-L27 PolarHBondContact O-N 3.5Å
24L66.8Low65Low3 Ų367.1 Ų67.12%0.01637%0.368CS..Hα-helixtrans-65.2-42174.1-167.165.3000111.7V12 L15 Q20 M21 T22 E26 L27 I28 L56V12-L24 HydrophobicContact CB-CD1 4.18Å; V12-L24 HydrophobicContact CG1-CD1 4.25Å; V12-L24 HydrophobicContact CG2-CD1 3.88Å; L15-L24 HydrophobicContact CB-CD1 4.12Å; L15-L24 HydrophobicContact CD1-CD1 4.05Å; Q20-L24 PolarHBondContact O-N 2.88Å; M21-L24 WeakPolarHBondContact O-CB 3.48Å; M21-L24 PolarHBondContact O-N 3.43Å; T22-L24 VanDerWaalsContact C-N 3.26Å; T22-L24 PolarHBondContact O-N 2.89Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.47Å; L24-L27 PolarHBondContact O-N 3.33Å; L24-I28 HydrophobicContact CG-CD1 4.17Å; L24-I28 WeakPolarHBondContact O-CB 3.36Å; L24-I28 WeakPolarHBondContact O-CD1 3.41Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.42Å; L24-I28 PolarHBondContact O-N 3.47Å; L24-L56 HydrophobicContact CB-CD2 4.24Å; L24-L56 HydrophobicContact CD2-CB 4.01Å; L24-L56 HydrophobicContact CD2-CD2 3.87Å; L24-L56 HydrophobicContact CG-CD2 3.94Å
25C64.1Low64.5Low23 Ų2362.1 Ų62.116%0.15535%0.345CS..Hα-helixtrans-60-42.6173.2-65.90000112.2M21 T22 I28 N29 Y95M21-C25 PolarHBondContact O-N 2.91Å; M21-C25 PolarHBondContact O-SG 3.31Å; M21-C25 VanDerWaalsContact O-SG 3.35Å; T22-C25 PolarHBondContact O-N 2.79Å; C25-I28 PolarHBondContact O-N 2.95Å; C25-N29 PolarHBondContact O-N 2.94Å; C25-Y95 PolarHBondContact SG-O 2.94Å; C25-Y95 VanDerWaalsContact SG-O 3.39Å
26E68.4Low64.2Low105 Ų10563.6 Ų63.649%0.49136%0.359SS..Hα-helixtrans-67.3-39.4178.9-162.4-174.6157.800112T22 Q23 L24 I28 N29 K30T22-E26 PolarHBondContact O-N 3.03Å; Q23-E26 PolarHBondContact O-N 3.39Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.47Å; E26-I28 VanDerWaalsContact C-N 3.32Å; E26-N29 PolarHBondContact O-N 3.4Å; E26-K30 WeakPolarHBondContact O-CG 3.4Å; E26-K30 PolarHBondContact O-N 2.94Å; E26-K30 VanDerWaalsContact O-N 3.08Å; E26-K30 IonicContact OE1-NZ 2.75Å; E26-K30 PolarHBondContact OE1-NZ 3.35Å
27L66.9Low64Low45 Ų4570.1 Ų70.124%0.23639%0.385CS..Hα-helixtrans-65.5-38.2176.1-157.7152.3000110.8F8 N11 L15 Q23 L24 K30 S31F8-L27 HydrophobicContact CD2-CD2 3.4Å; F8-L27 HydrophobicContact CE2-CD2 3.45Å; F8-L27 VanDerWaalsContact CE2-CD2 3.45Å; N11-L27 HydrophobicContact CB-CD1 4.1Å; L15-L27 HydrophobicContact CD1-CD1 3.88Å; Q23-L27 WeakPolarHBondContact O-CB 3.17Å; Q23-L27 PolarHBondContact O-N 3.5Å; L24-L27 PolarHBondContact O-N 3.33Å; L27-K30 PolarHBondContact O-N 3.33Å; L27-S31 WeakPolarHBondContact O-CB 3.45Å; L27-S31 PolarHBondContact O-N 3.39Å; L27-S31 PolarHBondContact O-OG 3.41Å
28I67.3Low63.8Low8 Ų866.9 Ų66.94%0.04136%0.355CS..Hα-helixtrans-62.6-48.6175-76.7167000111.4L24 C25 E26 K30 S31 G32 L56 A60L24-I28 HydrophobicContact CG-CD1 4.17Å; L24-I28 WeakPolarHBondContact O-CB 3.36Å; L24-I28 WeakPolarHBondContact O-CD1 3.41Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.42Å; L24-I28 PolarHBondContact O-N 3.47Å; C25-I28 PolarHBondContact O-N 2.95Å; E26-I28 VanDerWaalsContact C-N 3.32Å; I28-K30 VanDerWaalsContact C-N 3.27Å; I28-K30 PolarHBondContact O-N 2.91Å; I28-S31 WeakPolarHBondContact CA-OG 3.47Å; I28-S31 PolarHBondContact O-N 3.22Å; I28-S31 VanDerWaalsContact O-N 3.1Å; I28-S31 PolarHBondContact O-OG 3.45Å; I28-G32 PolarHBondContact O-N 2.91Å; I28-L56 HydrophobicContact CD1-CB 3.76Å; I28-L56 HydrophobicContact CD1-CD2 3.5Å; I28-L56 VanDerWaalsContact CD1-CD2 3.5Å; I28-L56 HydrophobicContact CD1-CG 3.31Å; I28-L56 WeakPolarHBondContact CD1-O 3.45Å; I28-A60 HydrophobicContact CB-CB 4.4Å; I28-A60 HydrophobicContact CD1-CB 4.49Å; I28-A60 HydrophobicContact CG1-CB 4.18Å; I28-A60 HydrophobicContact CG2-CB 3.5Å
29N66.9Low63.4Low115 Ų11564.5 Ų64.562%0.61535%0.346SS*.Hα-helixtrans-59.6-37.8177.2-75.5-16.5000112.3C25 E26C25-N29 PolarHBondContact O-N 2.94Å; E26-N29 PolarHBondContact O-N 3.4Å
30K67.5Low63.2Low147 Ų14766.7 Ų66.764%0.63935%0.353SS*.Hα-helixtrans-75.7-27.6176.5-74.1171.8173.31660113.5E26 L27 I28E26-K30 WeakPolarHBondContact O-CG 3.4Å; E26-K30 PolarHBondContact O-N 2.94Å; E26-K30 VanDerWaalsContact O-N 3.08Å; E26-K30 IonicContact OE1-NZ 2.75Å; E26-K30 PolarHBondContact OE1-NZ 3.35Å; L27-K30 PolarHBondContact O-N 3.33Å; I28-K30 VanDerWaalsContact C-N 3.27Å; I28-K30 PolarHBondContact O-N 2.91Å
31S60.6Low62.9Low6 Ų667.4 Ų67.44%0.04236%0.356CS..Hα-helixtrans-84.5-11.6-175.470.30000115F8 L27 I28 E33 L34 L35F8-S31 WeakPolarHBondContact CE2-OG 3.41Å; L27-S31 WeakPolarHBondContact O-CB 3.45Å; L27-S31 PolarHBondContact O-N 3.39Å; L27-S31 PolarHBondContact O-OG 3.41Å; I28-S31 WeakPolarHBondContact CA-OG 3.47Å; I28-S31 PolarHBondContact O-N 3.22Å; I28-S31 VanDerWaalsContact O-N 3.1Å; I28-S31 PolarHBondContact O-OG 3.45Å; S31-E33 VanDerWaalsContact C-N 3.3Å; S31-E33 PolarHBondContact O-N 3.47Å; S31-L34 PolarHBondContact O-N 3.47Å; S31-L35 WeakPolarHBondContact O-CG 3.19Å; S31-L35 PolarHBondContact O-N 3.26Å
32G60.3Low62.9Low26 Ų2666.5 Ų66.527%0.26835%0.352SS..Hα-helixtrans-53.9-41.4-176.900000114I28 L34 A36I28-G32 PolarHBondContact O-N 2.91Å; G32-L34 PolarHBondContact O-N 3.19Å; G32-A36 WeakPolarHBondContact O-CB 3.22Å; G32-A36 PolarHBondContact O-N 3.4Å; G32-A36 VanDerWaalsContact O-N 3.08Å
33E60.6Low62.6Low148 Ų14865.4 Ų65.469%0.69234%0.342SS*.Hα-helixtrans-70.9-27.9177.6-66.3-168.116900113.9S31 K37S31-E33 VanDerWaalsContact C-N 3.3Å; S31-E33 PolarHBondContact O-N 3.47Å; E33-K37 WeakPolarHBondContact O-CD 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.39Å
34L61.3Low62.4Low91 Ų9165.7 Ų65.748%0.47635%0.351SS..Hα-helixtrans-80.1-35.4178.8-69.4172.6000111.5S31 G32 K37 N38S31-L34 PolarHBondContact O-N 3.47Å; G32-L34 PolarHBondContact O-N 3.19Å; L34-K37 PolarHBondContact O-N 3.39Å; L34-N38 PolarHBondContact O-ND2 2.99Å
35L60.8Low62Low2 Ų266.2 Ų66.21%0.0135%0.354CS..Hα-helixtrans-69-40.4174.4-66.7172.8000111.1L5 F8 S31 K37 N38 L42 A60 V61 V64L5-L35 HydrophobicContact CD2-CD2 3.79Å; F8-L35 HydrophobicContact CD1-CD2 4.32Å; F8-L35 HydrophobicContact CE1-CD1 4.39Å; F8-L35 HydrophobicContact CE1-CD2 4.24Å; F8-L35 HydrophobicContact CZ-CD1 4.2Å; S31-L35 WeakPolarHBondContact O-CG 3.19Å; S31-L35 PolarHBondContact O-N 3.26Å; L35-K37 PolarHBondContact O-N 3.04Å; L35-N38 PolarHBondContact O-N 3.37Å; L35-L42 HydrophobicContact CB-CD2 4.42Å; L35-L42 HydrophobicContact CD2-CD2 3.74Å; L35-A60 HydrophobicContact CD1-CB 4.42Å; L35-V61 HydrophobicContact CD1-CG2 4.13Å; L35-V61 HydrophobicContact CD2-CG2 4.11Å; L35-V64 HydrophobicContact CB-CG1 4.32Å; L35-V64 HydrophobicContact CB-CG2 4.35Å
36A60.3Low61.8Low48 Ų4866.5 Ų66.540%0.39735%0.353SS..Hα-helixtrans-61.3-26.9177.300000113.5G32 L39 V64G32-A36 WeakPolarHBondContact O-CB 3.22Å; G32-A36 PolarHBondContact O-N 3.4Å; G32-A36 VanDerWaalsContact O-N 3.08Å; A36-L39 WeakPolarHBondContact O-CG 3.24Å; A36-V64 HydrophobicContact CB-CG1 4Å
37K61.1Low61.4Low155 Ų15564.9 Ų64.967%0.67437%0.365SS*.THydrogen-bonded Turntrans-84-16.9-179.3-72172.1-175169.70114.2E33 L34 L35E33-K37 WeakPolarHBondContact O-CD 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.39Å; L34-K37 PolarHBondContact O-N 3.39Å; L35-K37 PolarHBondContact O-N 3.04Å
38N60.9Low61.1Low24 Ų2464.7 Ų64.713%0.12837%0.37CS..  trans-12752-171.3-62.4-70.2000112.9L5 L34 L35 S40 H41L5-N38 HydrophobicContact CD1-CB 3.47Å; L5-N38 VanDerWaalsContact CD1-CB 3.47Å; L5-N38 HydrophobicContact CD2-CB 4.38Å; L5-N38 HydrophobicContact CG-CB 4.23Å; L34-N38 PolarHBondContact O-ND2 2.99Å; L35-N38 PolarHBondContact O-N 3.37Å; N38-S40 PolarHBondContact O-N 3.22Å; N38-H41 PolarHBondContact O-N 3.35Å
39L56.7Low60.8Low58 Ų5864.8 Ų64.830%0.30437%0.371SS..G310 helixtrans-63.2-35.2-170.8-64.8155.1000114.5A36 H41 L42 M68A36-L39 WeakPolarHBondContact O-CG 3.24Å; L39-H41 VanDerWaalsContact C-N 3.26Å; L39-H41 PolarHBondContact O-N 2.98Å; L39-L42 HydrophobicContact CD2-CD1 3.92Å; L39-L42 PolarHBondContact O-N 2.8Å; L39-M68 HydrophobicContact CD1-CE 3.8Å; L39-M68 HydrophobicContact CD1-SD 3.37Å; L39-M68 WeakPolarHBondContact CD1-SD 3.42Å; L39-M68 HydrophobicContact CD2-CE 4.08Å; L39-M68 HydrophobicContact CD2-CG 4.2Å; L39-M68 HydrophobicContact CD2-SD 3.57Å; L39-M68 VanDerWaalsContact CD2-SD 3.57Å; L39-M68 HydrophobicContact CG-CE 4.43Å; L39-M68 HydrophobicContact CG-SD 4.09Å
40S57.5Low60.4Low95 Ų9563.3 Ų63.366%0.66436%0.363SS*.G310 helixtrans-68.5-21.6-177.951.70000114.1N38N38-S40 PolarHBondContact O-N 3.22Å
41H60.1Low60.1Low99 Ų9958.3 Ų58.346%0.45834%0.343SS..G310 helixtrans-99.9-4.6-179.5-61.9-67.4000112.7L5 N38 L39 D43 T44 V45L5-H41 HydrophobicContact CD1-CB 3.99Å; N38-H41 PolarHBondContact O-N 3.35Å; L39-H41 VanDerWaalsContact C-N 3.26Å; L39-H41 PolarHBondContact O-N 2.98Å; H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 PolarHBondContact O-N 3.45Å; H41-T44 WeakPolarHBondContact O-CB 3.43Å; H41-T44 PolarHBondContact O-N 3.46Å; H41-V45 WeakPolarHBondContact O-CG2 3.15Å; H41-V45 PolarHBondContact O-N 3.23Å
42L61.5Low60Low0 Ų063.1 Ų63.10%036%0.364CS..Hα-helixtrans-67-32.2-177.8-67.8177.2000112.7L35 L39 V45 L46 V61 K65L35-L42 HydrophobicContact CB-CD2 4.42Å; L35-L42 HydrophobicContact CD2-CD2 3.74Å; L39-L42 HydrophobicContact CD2-CD1 3.92Å; L39-L42 PolarHBondContact O-N 2.8Å; L42-V45 PolarHBondContact O-N 2.94Å; L42-L46 WeakPolarHBondContact O-CB 3.17Å; L42-L46 PolarHBondContact O-N 3.01Å; L42-V61 HydrophobicContact CB-CG1 3.95Å; L42-V61 HydrophobicContact CD1-CG1 4.25Å; L42-V61 HydrophobicContact CD2-CG1 3.97Å; L42-V61 HydrophobicContact CD2-CG2 4.24Å; L42-V61 HydrophobicContact CG-CG1 4.27Å; L42-K65 HydrophobicContact CD1-CG 4.06Å
43D59.3Low59.8Low79 Ų7967.2 Ų67.242%0.42238%0.376SS..Hα-helixtrans-69.8-34.3174.3-75.7-56.4000112.5H41 L46 G47 K65 Q80H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 PolarHBondContact O-N 3.45Å; D43-L46 PolarHBondContact O-N 2.94Å; D43-G47 PolarHBondContact O-N 3.17Å; D43-K65 IonicContact OD1-NZ 2.77Å; D43-K65 PolarHBondContact OD1-NZ 3.28Å; D43-K65 IonicContact OD2-NZ 2.78Å; D43-K65 PolarHBondContact OD2-NZ 2.88Å; D43-Q80 PolarHBondContact OD1-NE2 3.31Å
44T61.1Low59.8Low103 Ų10360.6 Ų60.663%0.63235%0.346SS*.Hα-helixtrans-68.5-37.9172.4-45.40000111.3H41 A48H41-T44 WeakPolarHBondContact O-CB 3.43Å; H41-T44 PolarHBondContact O-N 3.46Å; T44-A48 PolarHBondContact O-N 3.06Å
45V59.9Low59.9Low14 Ų1456.2 Ų56.29%0.08532%0.323CS..Hα-helixtrans-67.1-42.2174167.50000111.2V9 H41 L42 G47 A48 L49V9-V45 HydrophobicContact CG2-CB 4.32Å; V9-V45 HydrophobicContact CG2-CG1 3.52Å; V9-V45 HydrophobicContact CG2-CG2 4.11Å; H41-V45 WeakPolarHBondContact O-CG2 3.15Å; H41-V45 PolarHBondContact O-N 3.23Å; L42-V45 PolarHBondContact O-N 2.94Å; V45-G47 VanDerWaalsContact C-N 3.34Å; V45-G47 PolarHBondContact O-N 2.93Å; V45-A48 PolarHBondContact O-N 3.19Å; V45-A48 VanDerWaalsContact O-N 3.11Å; V45-L49 HydrophobicContact CG1-CD1 3.58Å; V45-L49 VanDerWaalsContact O-CD1 3.31Å; V45-L49 WeakPolarHBondContact O-CD1 3.43Å; V45-L49 WeakPolarHBondContact O-CG 3.17Å; V45-L49 PolarHBondContact O-N 2.69Å
46L59.7Low59.9Low28 Ų2856.2 Ų56.215%0.14732%0.323CS..Hα-helixtrans-61.3-41.7176.3-148.277.5000111.5L42 D43 A48 L49 V58 V61 Q80L42-L46 WeakPolarHBondContact O-CB 3.17Å; L42-L46 PolarHBondContact O-N 3.01Å; D43-L46 PolarHBondContact O-N 2.94Å; L46-A48 PolarHBondContact O-N 3.26Å; L46-L49 PolarHBondContact O-N 2.79Å; L46-V58 HydrophobicContact CD1-CB 4.39Å; L46-V58 HydrophobicContact CD1-CG1 3.83Å; L46-V58 HydrophobicContact CD1-CG2 4.31Å; L46-V61 HydrophobicContact CD1-CB 4.37Å; L46-V61 HydrophobicContact CD1-CG1 3.98Å; L46-Q80 HydrophobicContact CD2-CB 4.47Å; L46-Q80 HydrophobicContact CD2-CG 4.19Å
47G60.3Low59.8Low72 Ų7253.9 Ų53.974%0.74230%0.304SS*.Hα-helixtrans-70.2-17.7175.800000114.4D43 V45D43-G47 PolarHBondContact O-N 3.17Å; V45-G47 VanDerWaalsContact C-N 3.34Å; V45-G47 PolarHBondContact O-N 2.93Å
48A59.3Low60.1Low41 Ų4146.7 Ų46.734%0.33927%0.272SS..Hα-helixtrans-90.3-12.9175.700000113R13 T44 V45 L46R13-A48 PolarHBondContact NH2-O 2.85Å; T44-A48 PolarHBondContact O-N 3.06Å; V45-A48 PolarHBondContact O-N 3.19Å; V45-A48 VanDerWaalsContact O-N 3.11Å; L46-A48 PolarHBondContact O-N 3.26Å
49L61.1Low60.2Low10 Ų1045.5 Ų45.55%0.05227%0.266CS..SBendtrans-102.9129.2-177.1-74.1154.2000109.9V9 V12 V45 L46 H54 V58V9-L49 HydrophobicContact CG1-CD2 4.28Å; V9-L49 HydrophobicContact CG1-CG 4.41Å; V9-L49 HydrophobicContact CG2-CD1 4.45Å; V12-L49 HydrophobicContact CB-CD2 4.42Å; V12-L49 HydrophobicContact CG1-CD2 3.82Å; V45-L49 HydrophobicContact CG1-CD1 3.58Å; V45-L49 VanDerWaalsContact O-CD1 3.31Å; V45-L49 WeakPolarHBondContact O-CD1 3.43Å; V45-L49 WeakPolarHBondContact O-CG 3.17Å; V45-L49 PolarHBondContact O-N 2.69Å; L46-L49 PolarHBondContact O-N 2.79Å; L49-H54 HydrophobicContact CB-CB 4.23Å; L49-H54 HydrophobicContact CD2-CB 3.53Å; L49-H54 HydrophobicContact CG-CB 4.48Å; L49-V58 HydrophobicContact CB-CG2 4Å
50D58.8Low60.5Low83 Ų8343 Ų4344%0.44425%0.254SS..  trans-72.1129.2168.6-168-27.1000109.6Q52 E53 H54D50-Q52 VanDerWaalsContact C-N 3.27Å; D50-Q52 PolarHBondContact O-N 2.8Å; D50-Q52 PolarHBondContact OD1-N 3.3Å; D50-E53 HydrophobicContact CB-CB 4.33Å; D50-H54 PolarHBondContact N-ND1 3.03Å; D50-H54 WeakPolarHBondContact O-CA 3.41Å; D50-H54 VanDerWaalsContact O-CB 3.32Å; D50-H54 WeakPolarHBondContact O-CB 3.34Å; D50-H54 PolarHBondContact O-N 3.29Å; D50-H54 PolarHBondContact O-ND1 3.48Å
51I61.4Low60.9Low43 Ų4338.5 Ų38.522%0.22122%0.223CC..THydrogen-bonded Turntrans-65.3-29.8-178.6-59.7167.7000111.6S55 L83 F84 T87I51-S55 WeakPolarHBondContact O-CA 3.31Å; I51-S55 VanDerWaalsContact O-CB 3.3Å; I51-S55 WeakPolarHBondContact O-CB 3.24Å; I51-S55 PolarHBondContact O-N 3.24Å; I51-L83 HydrophobicContact CD1-CD2 3.92Å; I51-L83 HydrophobicContact CD1-CG 4.07Å; I51-F84 HydrophobicContact CG2-CD2 3.78Å; I51-F84 HydrophobicContact CG2-CE2 4.29Å; I51-T87 WeakPolarHBondContact CG2-OG1 3.47Å
52Q58.3Low61.3Low106 Ų10633.9 Ų33.950%0.49520%0.201SC..THydrogen-bonded Turntrans-79-44.3-179.9-71.9-110.7-41.600112.1D50 T87D50-Q52 VanDerWaalsContact C-N 3.27Å; D50-Q52 PolarHBondContact O-N 2.8Å; D50-Q52 PolarHBondContact OD1-N 3.3Å; Q52-T87 PolarHBondContact NE2-O 2.89Å
53E56.2Low61.5Low112 Ų11236.9 Ų36.952%0.52321%0.214SC..THydrogen-bonded Turntrans-86.3-30.4-176.3-62.5-174162.600112.5S16 D50S16-E53 PolarHBondContact OG-O 3.42Å; D50-E53 HydrophobicContact CB-CB 4.33Å
54H61.3Low61.8Low9 Ų934.1 Ų34.14%0.04220%0.2CC..SBendtrans-120.929-173.8-46.590.2000112.9V12 R13 L49 D50 L56 G57 V58V12-H54 HydrophobicContact CG1-CB 3.9Å; R13-H54 VanDerWaalsContact CA-NE2 3.34Å; R13-H54 WeakPolarHBondContact CA-NE2 3.4Å; R13-H54 WeakPolarHBondContact CG-NE2 3.45Å; L49-H54 HydrophobicContact CB-CB 4.23Å; L49-H54 HydrophobicContact CD2-CB 3.53Å; L49-H54 HydrophobicContact CG-CB 4.48Å; D50-H54 PolarHBondContact N-ND1 3.03Å; D50-H54 WeakPolarHBondContact O-CA 3.41Å; D50-H54 VanDerWaalsContact O-CB 3.32Å; D50-H54 WeakPolarHBondContact O-CB 3.34Å; D50-H54 PolarHBondContact O-N 3.29Å; D50-H54 PolarHBondContact O-ND1 3.48Å; H54-L56 PolarHBondContact O-N 3.1Å; H54-G57 PolarHBondContact O-N 3.46Å; H54-V58 PolarHBondContact O-N 2.92Å; H54-V58 VanDerWaalsContact O-N 3.09Å
55S62.8Low61.9Low0 Ų030.5 Ų30.50%018%0.176CC..Hα-helixtrans-46.8-38.2179.746.40000113.5I51 V58 L59 F84 C88 H92I51-S55 WeakPolarHBondContact O-CA 3.31Å; I51-S55 VanDerWaalsContact O-CB 3.3Å; I51-S55 WeakPolarHBondContact O-CB 3.24Å; I51-S55 PolarHBondContact O-N 3.24Å; S55-V58 PolarHBondContact O-N 3.42Å; S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 VanDerWaalsContact O-CG 3.27Å; S55-L59 WeakPolarHBondContact O-CG 3.33Å; S55-L59 PolarHBondContact O-N 3.4Å; S55-F84 WeakPolarHBondContact O-CE2 3.4Å; S55-C88 WeakPolarHBondContact CB-SG 2.98Å; S55-H92 VanDerWaalsContact OG-CB 3.25Å; S55-H92 WeakPolarHBondContact OG-CB 3.37Å; S55-H92 PolarHBondContact OG-ND1 3.17Å
56L60.6Low62.2Low1 Ų130.3 Ų30.31%0.00517%0.174CC..Hα-helixtrans-67-41.3179.9-147.965.2000113.7L24 I28 H54 L59 A60 A96L24-L56 HydrophobicContact CB-CD2 4.24Å; L24-L56 HydrophobicContact CD2-CB 4.01Å; L24-L56 HydrophobicContact CD2-CD2 3.87Å; L24-L56 HydrophobicContact CG-CD2 3.94Å; I28-L56 HydrophobicContact CD1-CB 3.76Å; I28-L56 HydrophobicContact CD1-CD2 3.5Å; I28-L56 VanDerWaalsContact CD1-CD2 3.5Å; I28-L56 HydrophobicContact CD1-CG 3.31Å; I28-L56 WeakPolarHBondContact CD1-O 3.45Å; H54-L56 PolarHBondContact O-N 3.1Å; L56-L59 HydrophobicContact CD1-CD1 4.33Å; L56-L59 WeakPolarHBondContact O-CB 3.37Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-A60 PolarHBondContact O-N 3.33Å; L56-A60 VanDerWaalsContact O-N 3.11Å; L56-A96 HydrophobicContact CD1-CB 3.24Å; L56-A96 HydrophobicContact CD2-CB 4.46Å; L56-A96 HydrophobicContact CG-CB 4.17Å
57G58.5Low62.4Low0 Ų032.8 Ų32.80%019%0.194CC..Hα-helixtrans-69.3-38.717600000111.6H54 A60 V61H54-G57 PolarHBondContact O-N 3.46Å; G57-A60 PolarHBondContact O-N 3.36Å; G57-V61 VanDerWaalsContact O-CG2 3.3Å; G57-V61 WeakPolarHBondContact O-CG2 3.31Å; G57-V61 PolarHBondContact O-N 3.21Å; G57-V61 VanDerWaalsContact O-N 3.12Å
58V66.1Low62.6Low3 Ų332.4 Ų32.42%0.01817%0.173CC..Hα-helixtrans-64.1-41.6174.5173.30000111.1L46 L49 H54 S55 V61 L62 F84L46-V58 HydrophobicContact CD1-CB 4.39Å; L46-V58 HydrophobicContact CD1-CG1 3.83Å; L46-V58 HydrophobicContact CD1-CG2 4.31Å; L49-V58 HydrophobicContact CB-CG2 4Å; H54-V58 PolarHBondContact O-N 2.92Å; H54-V58 VanDerWaalsContact O-N 3.09Å; S55-V58 PolarHBondContact O-N 3.42Å; V58-V61 PolarHBondContact O-N 3.35Å; V58-L62 HydrophobicContact CG1-CD1 3.83Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CB 3.19Å; V58-L62 VanDerWaalsContact O-CG 3.31Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3.39Å; V58-F84 HydrophobicContact CB-CD2 4.11Å; V58-F84 HydrophobicContact CB-CE2 4.12Å; V58-F84 HydrophobicContact CG1-CD2 3.39Å; V58-F84 HydrophobicContact CG1-CE2 3.89Å; V58-F84 HydrophobicContact CG1-CG 4.2Å
59L64.4Low62.4Low0 Ų036.9 Ų36.90%020%0.199CC..Hα-helixtrans-58.5-48.4174-82.5166.3000112.9S55 L56 V61 L62 F63 F84 I93 F100 L103S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 VanDerWaalsContact O-CG 3.27Å; S55-L59 WeakPolarHBondContact O-CG 3.33Å; S55-L59 PolarHBondContact O-N 3.4Å; L56-L59 HydrophobicContact CD1-CD1 4.33Å; L56-L59 WeakPolarHBondContact O-CB 3.37Å; L56-L59 PolarHBondContact O-N 3.49Å; L59-V61 VanDerWaalsContact C-N 3.31Å; L59-V61 PolarHBondContact O-N 3.06Å; L59-L62 PolarHBondContact O-N 3.49Å; L59-F63 VanDerWaalsContact O-CB 3.25Å; L59-F63 WeakPolarHBondContact O-CB 3.27Å; L59-F63 PolarHBondContact O-N 3.2Å; L59-F84 HydrophobicContact CB-CZ 4.5Å; L59-F84 HydrophobicContact CD1-CE1 4.24Å; L59-F84 HydrophobicContact CD1-CZ 3.68Å; L59-F84 HydrophobicContact CD2-CD1 4.07Å; L59-F84 HydrophobicContact CD2-CE1 3.19Å; L59-F84 HydrophobicContact CD2-CE2 4.4Å; L59-F84 HydrophobicContact CD2-CZ 3.42Å; L59-F84 VanDerWaalsContact CD2-CZ 3.42Å; L59-F84 HydrophobicContact CG-CE1 3.61Å; L59-F84 HydrophobicContact CG-CE2 3.96Å; L59-F84 HydrophobicContact CG-CZ 3.2Å; L59-I93 HydrophobicContact CD1-CG1 4.33Å; L59-F100 HydrophobicContact CD1-CD2 3.85Å; L59-F100 HydrophobicContact CD2-CD2 3.63Å; L59-F100 HydrophobicContact CD2-CE2 4.28Å; L59-F100 HydrophobicContact CD2-CG 4.47Å; L59-F100 HydrophobicContact CG-CD2 4.37Å; L59-L103 HydrophobicContact CD2-CD2 3.61Å
60A62.3Low62.1Low6 Ų642.6 Ų42.65%0.0523%0.229CC..Hα-helixtrans-59.9-43.9179.200000111.6I28 L35 L56 G57 F63 V64I28-A60 HydrophobicContact CB-CB 4.4Å; I28-A60 HydrophobicContact CD1-CB 4.49Å; I28-A60 HydrophobicContact CG1-CB 4.18Å; I28-A60 HydrophobicContact CG2-CB 3.5Å; L35-A60 HydrophobicContact CD1-CB 4.42Å; L56-A60 PolarHBondContact O-N 3.33Å; L56-A60 VanDerWaalsContact O-N 3.11Å; G57-A60 PolarHBondContact O-N 3.36Å; A60-F63 PolarHBondContact O-N 3.07Å; A60-V64 VanDerWaalsContact O-CG2 3.28Å; A60-V64 WeakPolarHBondContact O-CG2 3.39Å; A60-V64 PolarHBondContact O-N 3.38Å
61V67.2Low62.2Low0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-64.6-46177.5170.90000111.3L35 L42 L46 G57 V58 L59 V64 K65L35-V61 HydrophobicContact CD1-CG2 4.13Å; L35-V61 HydrophobicContact CD2-CG2 4.11Å; L42-V61 HydrophobicContact CB-CG1 3.95Å; L42-V61 HydrophobicContact CD1-CG1 4.25Å; L42-V61 HydrophobicContact CD2-CG1 3.97Å; L42-V61 HydrophobicContact CD2-CG2 4.24Å; L42-V61 HydrophobicContact CG-CG1 4.27Å; L46-V61 HydrophobicContact CD1-CB 4.37Å; L46-V61 HydrophobicContact CD1-CG1 3.98Å; G57-V61 VanDerWaalsContact O-CG2 3.3Å; G57-V61 WeakPolarHBondContact O-CG2 3.31Å; G57-V61 PolarHBondContact O-N 3.21Å; G57-V61 VanDerWaalsContact O-N 3.12Å; V58-V61 PolarHBondContact O-N 3.35Å; L59-V61 VanDerWaalsContact C-N 3.31Å; L59-V61 PolarHBondContact O-N 3.06Å; V61-V64 PolarHBondContact O-N 3.4Å; V61-K65 WeakPolarHBondContact O-CG 3.21Å; V61-K65 PolarHBondContact O-N 3.03Å
62L66.6Low62Low1 Ų143.8 Ų43.81%0.00524%0.242CC..Hα-helixtrans-63.7-44.5177.5-72.6171.4000111.2V58 L59 V64 K65 F66 L77 Q80 V81 F84 L103V58-L62 HydrophobicContact CG1-CD1 3.83Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CB 3.19Å; V58-L62 VanDerWaalsContact O-CG 3.31Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3.39Å; L59-L62 PolarHBondContact O-N 3.49Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-V64 PolarHBondContact O-N 3.04Å; L62-K65 WeakPolarHBondContact O-CB 3.44Å; L62-K65 PolarHBondContact O-N 3.12Å; L62-K65 VanDerWaalsContact O-N 3.09Å; L62-F66 VanDerWaalsContact O-CD2 3.28Å; L62-F66 WeakPolarHBondContact O-CD2 3.49Å; L62-F66 PolarHBondContact O-N 3.44Å; L62-L77 HydrophobicContact CD2-CD1 3.73Å; L62-Q80 HydrophobicContact CD2-CB 4.32Å; L62-V81 HydrophobicContact CD1-CG2 4.32Å; L62-V81 HydrophobicContact CD2-CG2 4.21Å; L62-F84 HydrophobicContact CD1-CB 3.95Å; L62-F84 HydrophobicContact CD1-CD1 4.28Å; L62-F84 HydrophobicContact CD1-CD2 4.39Å; L62-F84 HydrophobicContact CD1-CG 3.9Å; L62-L103 HydrophobicContact CB-CD1 4.25Å; L62-L103 HydrophobicContact CB-CD2 4.33Å
63F65.9Low62.5Low63 Ų6343.9 Ų43.928%0.27625%0.246SC..Hα-helixtrans-58.4-45.2177.4-175-102.9000112L59 A60 K65 F66 S67 L103 Q106L59-F63 VanDerWaalsContact O-CB 3.25Å; L59-F63 WeakPolarHBondContact O-CB 3.27Å; L59-F63 PolarHBondContact O-N 3.2Å; A60-F63 PolarHBondContact O-N 3.07Å; F63-K65 VanDerWaalsContact C-N 3.34Å; F63-K65 PolarHBondContact O-N 3.05Å; F63-F66 PolarHBondContact O-N 3.23Å; F63-S67 PolarHBondContact O-N 3.29Å; F63-L103 HydrophobicContact CD2-CB 4.11Å; F63-Q106 HydrophobicContact CE2-CG 4.24Å
64V65.4Low63.2Low22 Ų2239 Ų3913%0.13322%0.223CC..Hα-helixtrans-63.4-38174.8172.30000111.7L35 A36 A60 V61 L62 S67L35-V64 HydrophobicContact CB-CG1 4.32Å; L35-V64 HydrophobicContact CB-CG2 4.35Å; A36-V64 HydrophobicContact CB-CG1 4Å; A60-V64 VanDerWaalsContact O-CG2 3.28Å; A60-V64 WeakPolarHBondContact O-CG2 3.39Å; A60-V64 PolarHBondContact O-N 3.38Å; V61-V64 PolarHBondContact O-N 3.4Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-V64 PolarHBondContact O-N 3.04Å; V64-S67 PolarHBondContact O-N 3.05Å
65K65.1Low63.9Low26 Ų2642.6 Ų42.611%0.11324%0.24CC..Hα-helixtrans-64.8-36.8174.7-75.5-169179.9-168.20112.9L42 D43 V61 L62 F63 M68 L77L42-K65 HydrophobicContact CD1-CG 4.06Å; D43-K65 IonicContact OD1-NZ 2.77Å; D43-K65 PolarHBondContact OD1-NZ 3.28Å; D43-K65 IonicContact OD2-NZ 2.78Å; D43-K65 PolarHBondContact OD2-NZ 2.88Å; V61-K65 WeakPolarHBondContact O-CG 3.21Å; V61-K65 PolarHBondContact O-N 3.03Å; L62-K65 WeakPolarHBondContact O-CB 3.44Å; L62-K65 PolarHBondContact O-N 3.12Å; L62-K65 VanDerWaalsContact O-N 3.09Å; F63-K65 VanDerWaalsContact C-N 3.34Å; F63-K65 PolarHBondContact O-N 3.05Å; K65-M68 WeakPolarHBondContact O-CB 3.46Å; K65-M68 WeakPolarHBondContact O-CG 3.36Å; K65-L77 HydrophobicContact CB-CD1 4.04Å; K65-L77 HydrophobicContact CB-CD2 4.33Å; K65-L77 HydrophobicContact CD-CD1 3.79Å
66F65.4Low64.6Low10 Ų1046.4 Ų46.44%0.04426%0.263CS..Hα-helixtrans-76.2-24.9175.2-83.8-81.2000113.4L62 F63 M68 I71 F74 L77 V81 L103 Q106 L107L62-F66 VanDerWaalsContact O-CD2 3.28Å; L62-F66 WeakPolarHBondContact O-CD2 3.49Å; L62-F66 PolarHBondContact O-N 3.44Å; F63-F66 PolarHBondContact O-N 3.23Å; F66-M68 PolarHBondContact O-N 3.36Å; F66-I71 HydrophobicContact CD1-CD1 4.03Å; F66-I71 HydrophobicContact CE1-CD1 4.37Å; F66-F74 HydrophobicContact CE1-CD2 4.5Å; F66-F74 HydrophobicContact CE1-CE2 4.02Å; F66-L77 HydrophobicContact CD1-CD2 4.17Å; F66-L77 HydrophobicContact CD2-CD2 3.95Å; F66-L77 HydrophobicContact CD2-CG 4.32Å; F66-L77 HydrophobicContact CE1-CD2 3.85Å; F66-L77 HydrophobicContact CE1-CG 4.35Å; F66-L77 HydrophobicContact CE2-CD1 3.94Å; F66-L77 HydrophobicContact CE2-CD2 3.55Å; F66-L77 HydrophobicContact CE2-CG 3.52Å; F66-L77 HydrophobicContact CG-CD2 4.23Å; F66-L77 HydrophobicContact CZ-CD1 4.46Å; F66-L77 HydrophobicContact CZ-CD2 3.53Å; F66-L77 HydrophobicContact CZ-CG 3.56Å; F66-V81 HydrophobicContact CD2-CG2 4.4Å; F66-V81 HydrophobicContact CE2-CG2 3.28Å; F66-V81 HydrophobicContact CZ-CG2 3.69Å; F66-L103 HydrophobicContact CD2-CD1 3.48Å; F66-L103 VanDerWaalsContact CD2-CD1 3.48Å; F66-L103 HydrophobicContact CE2-CD1 4.02Å; F66-L103 HydrophobicContact CG-CD1 4.2Å; F66-Q106 HydrophobicContact CB-CB 4.14Å; F66-L107 HydrophobicContact CE1-CD1 4.14Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å
67S62.9Low65.3Low81 Ų8146.8 Ų46.857%0.56627%0.265SS*.THydrogen-bonded Turntrans-71.5-3.3174.4-165.80000113.5F63 V64F63-S67 PolarHBondContact O-N 3.29Å; V64-S67 PolarHBondContact O-N 3.05Å
68M64.3Low66.3Low63 Ų6346.8 Ų46.831%0.3127%0.265SS..SBendtrans-71.7134.7176.9-70.3-105-7600111.9L39 K65 F66 N70L39-M68 HydrophobicContact CD1-CE 3.8Å; L39-M68 HydrophobicContact CD1-SD 3.37Å; L39-M68 WeakPolarHBondContact CD1-SD 3.42Å; L39-M68 HydrophobicContact CD2-CE 4.08Å; L39-M68 HydrophobicContact CD2-CG 4.2Å; L39-M68 HydrophobicContact CD2-SD 3.57Å; L39-M68 VanDerWaalsContact CD2-SD 3.57Å; L39-M68 HydrophobicContact CG-CE 4.43Å; L39-M68 HydrophobicContact CG-SD 4.09Å; K65-M68 WeakPolarHBondContact O-CB 3.46Å; K65-M68 WeakPolarHBondContact O-CG 3.36Å; F66-M68 PolarHBondContact O-N 3.36Å; M68-N70 PolarHBondContact O-N 3.48Å
69P55.5Low66.9Low135 Ų13549.3 Ų49.388%0.87728%0.283SS*.SBendtrans-70-11.6179.225.8-32.6000114.3
70N55.3Low67.5Low130 Ų13051.7 Ų51.770%0.69529%0.294SS*.  trans-145.3114.6175.3-154.48.6000109.8M68 P72M68-N70 PolarHBondContact O-N 3.48Å; N70-P72 WeakPolarHBondContact O-CD 3.48Å
71I61.5Low68.3Low45 Ų4551.5 Ų51.523%0.23129%0.292CS..  trans-98.996.6-179.8-54.5170.8000107.7F66 D73 F74 L77F66-I71 HydrophobicContact CD1-CD1 4.03Å; F66-I71 HydrophobicContact CE1-CD1 4.37Å; I71-D73 VanDerWaalsContact C-N 3.27Å; I71-D73 PolarHBondContact O-N 3.1Å; I71-F74 HydrophobicContact CD1-CD2 4.09Å; I71-F74 HydrophobicContact CG2-CB 4.05Å; I71-L77 HydrophobicContact CD1-CD2 4.34Å; I71-L77 HydrophobicContact CG2-CD2 3.8Å
72P56.8Low69Low106 Ų10655.8 Ų55.869%0.68831%0.312SS*.THydrogen-bonded Turntrans-64.3-28.7-176.121.6-31.2000113.4N70N70-P72 WeakPolarHBondContact O-CD 3.48Å
73D67.6Low69.7Low109 Ų10960.2 Ų60.258%0.58334%0.335SS*.THydrogen-bonded Turntrans-129.766.6-179.9-65.7-56.6000112.2I71 E75 T76 L77I71-D73 VanDerWaalsContact C-N 3.27Å; I71-D73 PolarHBondContact O-N 3.1Å; D73-E75 PolarHBondContact O-N 2.75Å; D73-T76 HydrophobicContact CB-CG2 4.46Å; D73-T76 VanDerWaalsContact CB-OG1 3.31Å; D73-T76 WeakPolarHBondContact CB-OG1 3.26Å; D73-T76 PolarHBondContact O-N 2.89Å; D73-T76 PolarHBondContact O-OG1 3.25Å; D73-L77 PolarHBondContact O-N 3.36Å
74F71Confident70.3Confident10 Ų1057.3 Ų57.34%0.04432%0.322CS..Hα-helixtrans-59.5-33.3-179.9-178.1-82.6000113.1F66 I71 L77 F78 A110 L111 R114F66-F74 HydrophobicContact CE1-CD2 4.5Å; F66-F74 HydrophobicContact CE1-CE2 4.02Å; I71-F74 HydrophobicContact CD1-CD2 4.09Å; I71-F74 HydrophobicContact CG2-CB 4.05Å; F74-L77 PolarHBondContact O-N 3.48Å; F74-F78 HydrophobicContact CD1-CB 4.04Å; F74-F78 HydrophobicContact CE1-CB 3.9Å; F74-F78 AromaticContact CE1-CD2 3.87Å; F74-F78 HydrophobicContact CE1-CD2 3.87Å; F74-F78 HydrophobicContact CE1-CG 4.14Å; F74-F78 HydrophobicContact CZ-CD2 4.13Å; F74-F78 WeakPolarHBondContact O-CB 3.36Å; F74-F78 PolarHBondContact O-N 3.42Å; F74-A110 HydrophobicContact CE2-CB 3.74Å; F74-A110 HydrophobicContact CZ-CB 4.4Å; F74-L111 HydrophobicContact CE1-CD2 4.21Å; F74-L111 HydrophobicContact CZ-CD2 3.94Å; F74-L111 HydrophobicContact CZ-CG 4.42Å; F74-R114 VanDerWaalsContact CE1-NH1 3.34Å
75E77.8Confident71Confident84 Ų8456.4 Ų56.439%0.39332%0.317SS..Hα-helixtrans-69-39-175.1-168.662.7-15200112.2D73 S79 R119D73-E75 PolarHBondContact O-N 2.75Å; E75-S79 WeakPolarHBondContact O-CB 3.43Å; E75-S79 PolarHBondContact O-N 3.4Å; E75-S79 PolarHBondContact O-OG 3Å; E75-R119 VanDerWaalsContact CD-NH1 3.33Å; E75-R119 IonicContact OE1-CZ 2.73Å; E75-R119 VanDerWaalsContact OE1-CZ 3.24Å; E75-R119 IonicContact OE1-NH1 2.69Å; E75-R119 PolarHBondContact OE1-NH1 2.91Å; E75-R119 IonicContact OE1-NH2 3.67Å; E75-R119 PolarHBondContact OE1-NH2 3.28Å; E75-R119 IonicContact OE2-NH1 2.71Å; E75-R119 PolarHBondContact OE2-NH1 3.43Å
76T77.2Confident71.7Confident79 Ų7957.9 Ų57.949%0.48533%0.33SS..Hα-helixtrans-70.5-43175.860.70000110.1D73 F78 S79 Q80D73-T76 HydrophobicContact CB-CG2 4.46Å; D73-T76 VanDerWaalsContact CB-OG1 3.31Å; D73-T76 WeakPolarHBondContact CB-OG1 3.26Å; D73-T76 PolarHBondContact O-N 2.89Å; D73-T76 PolarHBondContact O-OG1 3.25Å; T76-F78 PolarHBondContact O-N 3.45Å; T76-S79 WeakPolarHBondContact O-CB 3.33Å; T76-S79 PolarHBondContact O-N 3.03Å; T76-Q80 WeakPolarHBondContact O-CG 3.46Å; T76-Q80 PolarHBondContact O-N 3.29Å
77L74.8Confident72.3Confident9 Ų959.6 Ų59.65%0.04734%0.342CS..Hα-helixtrans-62.4-42.2176.2-175.963.5000112.1L62 K65 F66 I71 D73 F74 S79 Q80 V81L62-L77 HydrophobicContact CD2-CD1 3.73Å; K65-L77 HydrophobicContact CB-CD1 4.04Å; K65-L77 HydrophobicContact CB-CD2 4.33Å; K65-L77 HydrophobicContact CD-CD1 3.79Å; F66-L77 HydrophobicContact CD1-CD2 4.17Å; F66-L77 HydrophobicContact CD2-CD2 3.95Å; F66-L77 HydrophobicContact CD2-CG 4.32Å; F66-L77 HydrophobicContact CE1-CD2 3.85Å; F66-L77 HydrophobicContact CE1-CG 4.35Å; F66-L77 HydrophobicContact CE2-CD1 3.94Å; F66-L77 HydrophobicContact CE2-CD2 3.55Å; F66-L77 HydrophobicContact CE2-CG 3.52Å; F66-L77 HydrophobicContact CG-CD2 4.23Å; F66-L77 HydrophobicContact CZ-CD1 4.46Å; F66-L77 HydrophobicContact CZ-CD2 3.53Å; F66-L77 HydrophobicContact CZ-CG 3.56Å; I71-L77 HydrophobicContact CD1-CD2 4.34Å; I71-L77 HydrophobicContact CG2-CD2 3.8Å; D73-L77 PolarHBondContact O-N 3.36Å; F74-L77 PolarHBondContact O-N 3.48Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-S79 PolarHBondContact O-N 3.13Å; L77-Q80 WeakPolarHBondContact O-CB 3.33Å; L77-Q80 PolarHBondContact O-N 2.96Å; L77-V81 WeakPolarHBondContact O-CG2 3.34Å; L77-V81 PolarHBondContact O-N 3.11Å
78F78.9Confident72.7Confident1 Ų155.8 Ų55.80%0.00432%0.315CS..Hα-helixtrans-61.9-42.5175.4-177.6-92.5000111.4F74 T76 Q80 V81 Q82 L107 L111 R119 I123F74-F78 HydrophobicContact CD1-CB 4.04Å; F74-F78 HydrophobicContact CE1-CB 3.9Å; F74-F78 AromaticContact CE1-CD2 3.87Å; F74-F78 HydrophobicContact CE1-CD2 3.87Å; F74-F78 HydrophobicContact CE1-CG 4.14Å; F74-F78 HydrophobicContact CZ-CD2 4.13Å; F74-F78 WeakPolarHBondContact O-CB 3.36Å; F74-F78 PolarHBondContact O-N 3.42Å; T76-F78 PolarHBondContact O-N 3.45Å; F78-Q80 VanDerWaalsContact C-N 3.32Å; F78-Q80 PolarHBondContact O-N 3.12Å; F78-V81 PolarHBondContact O-N 3.47Å; F78-Q82 WeakPolarHBondContact O-CB 3.5Å; F78-Q82 PolarHBondContact O-N 2.83Å; F78-L107 HydrophobicContact CD2-CD1 3.9Å; F78-L107 HydrophobicContact CE2-CD1 4.11Å; F78-L111 HydrophobicContact CD2-CD2 4.34Å; F78-L111 HydrophobicContact CE2-CD1 4.26Å; F78-L111 HydrophobicContact CE2-CD2 3.93Å; F78-R119 HydrophobicContact CE1-CB 4.26Å; F78-R119 HydrophobicContact CZ-CB 3.74Å; F78-I123 HydrophobicContact CE1-CD1 3.72Å; F78-I123 HydrophobicContact CE2-CD1 3.69Å; F78-I123 HydrophobicContact CZ-CD1 3.17Å; F78-I123 HydrophobicContact CZ-CG1 4.48Å
79S80Confident73Confident56 Ų5655.2 Ų55.239%0.39231%0.313SS..Hα-helixtrans-64-38.3175.6-57.10000111.8E75 T76 L77 Q82 L83E75-S79 WeakPolarHBondContact O-CB 3.43Å; E75-S79 PolarHBondContact O-N 3.4Å; E75-S79 PolarHBondContact O-OG 3Å; T76-S79 WeakPolarHBondContact O-CB 3.33Å; T76-S79 PolarHBondContact O-N 3.03Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-S79 PolarHBondContact O-N 3.13Å; S79-Q82 PolarHBondContact O-N 3.05Å; S79-L83 WeakPolarHBondContact O-CB 3.31Å; S79-L83 PolarHBondContact O-N 2.92Å
80Q76.1Confident73.5Confident50 Ų5049.4 Ų49.423%0.23428%0.277CS..Hα-helixtrans-63.6-43.7173.4-72.3175.9-4.700111.8D43 L46 L62 T76 L77 F78 L83 F84D43-Q80 PolarHBondContact OD1-NE2 3.31Å; L46-Q80 HydrophobicContact CD2-CB 4.47Å; L46-Q80 HydrophobicContact CD2-CG 4.19Å; L62-Q80 HydrophobicContact CD2-CB 4.32Å; T76-Q80 WeakPolarHBondContact O-CG 3.46Å; T76-Q80 PolarHBondContact O-N 3.29Å; L77-Q80 WeakPolarHBondContact O-CB 3.33Å; L77-Q80 PolarHBondContact O-N 2.96Å; F78-Q80 VanDerWaalsContact C-N 3.32Å; F78-Q80 PolarHBondContact O-N 3.12Å; Q80-L83 PolarHBondContact O-N 3.33Å; Q80-F84 VanDerWaalsContact O-CB 3.29Å; Q80-F84 WeakPolarHBondContact O-CB 3.33Å; Q80-F84 PolarHBondContact O-N 2.82Å
81V79.4Confident74.2Confident1 Ų148.5 Ų48.51%0.00627%0.269CS..Hα-helixtrans-64.1-43.5175174.10000111.4L62 F66 L77 F78 L83 F84 I85 L107L62-V81 HydrophobicContact CD1-CG2 4.32Å; L62-V81 HydrophobicContact CD2-CG2 4.21Å; F66-V81 HydrophobicContact CD2-CG2 4.4Å; F66-V81 HydrophobicContact CE2-CG2 3.28Å; F66-V81 HydrophobicContact CZ-CG2 3.69Å; L77-V81 WeakPolarHBondContact O-CG2 3.34Å; L77-V81 PolarHBondContact O-N 3.11Å; F78-V81 PolarHBondContact O-N 3.47Å; V81-L83 VanDerWaalsContact C-N 3.34Å; V81-L83 PolarHBondContact O-N 3.26Å; V81-F84 WeakPolarHBondContact O-CB 3.26Å; V81-F84 PolarHBondContact O-N 2.84Å; V81-I85 HydrophobicContact CG1-CG1 4.04Å; V81-I85 WeakPolarHBondContact O-CG1 3.29Å; V81-I85 PolarHBondContact O-N 2.76Å; V81-L107 HydrophobicContact CG1-CD2 4.1Å
82Q81.8Confident74.6Confident90 Ų9047.5 Ų47.542%0.42126%0.264SS..Hα-helixtrans-59.9-46.8178.1-177.4178.3-8.200111.1F78 S79 F84 I85 S86 I123F78-Q82 WeakPolarHBondContact O-CB 3.5Å; F78-Q82 PolarHBondContact O-N 2.83Å; S79-Q82 PolarHBondContact O-N 3.05Å; Q82-F84 VanDerWaalsContact C-N 3.32Å; Q82-F84 PolarHBondContact O-N 3.22Å; Q82-I85 PolarHBondContact O-N 2.73Å; Q82-S86 WeakPolarHBondContact O-CB 3.43Å; Q82-S86 PolarHBondContact O-N 3.17Å; Q82-S86 PolarHBondContact O-OG 2.82Å; Q82-I123 HydrophobicContact CB-CD1 3.87Å; Q82-I123 HydrophobicContact CG-CD1 4.01Å; Q82-I123 HydrophobicContact CG-CG1 4.23Å
83L80.3Confident75.3Confident94 Ų9442.6 Ų42.649%0.49223%0.231SC..Hα-helixtrans-59.8-46.4175.4-177.165.5000110.5I51 S79 Q80 V81 S86 T87I51-L83 HydrophobicContact CD1-CD2 3.92Å; I51-L83 HydrophobicContact CD1-CG 4.07Å; S79-L83 WeakPolarHBondContact O-CB 3.31Å; S79-L83 PolarHBondContact O-N 2.92Å; Q80-L83 PolarHBondContact O-N 3.33Å; V81-L83 VanDerWaalsContact C-N 3.34Å; V81-L83 PolarHBondContact O-N 3.26Å; L83-S86 PolarHBondContact O-N 2.84Å; L83-S86 PolarHBondContact O-OG 3.02Å; L83-T87 HydrophobicContact CD1-CG2 4.2Å; L83-T87 PolarHBondContact O-N 3.35Å; L83-T87 PolarHBondContact O-OG1 3.14Å
84F79.5Confident75.5Confident2 Ų242 Ų421%0.00922%0.221CC..Hα-helixtrans-56.7-55177.7173.4-94.1000112.1I51 S55 V58 L59 L62 Q80 V81 Q82 S86 T87 C88 F100I51-F84 HydrophobicContact CG2-CD2 3.78Å; I51-F84 HydrophobicContact CG2-CE2 4.29Å; S55-F84 WeakPolarHBondContact O-CE2 3.4Å; V58-F84 HydrophobicContact CB-CD2 4.11Å; V58-F84 HydrophobicContact CB-CE2 4.12Å; V58-F84 HydrophobicContact CG1-CD2 3.39Å; V58-F84 HydrophobicContact CG1-CE2 3.89Å; V58-F84 HydrophobicContact CG1-CG 4.2Å; L59-F84 HydrophobicContact CB-CZ 4.5Å; L59-F84 HydrophobicContact CD1-CE1 4.24Å; L59-F84 HydrophobicContact CD1-CZ 3.68Å; L59-F84 HydrophobicContact CD2-CD1 4.07Å; L59-F84 HydrophobicContact CD2-CE1 3.19Å; L59-F84 HydrophobicContact CD2-CE2 4.4Å; L59-F84 HydrophobicContact CD2-CZ 3.42Å; L59-F84 VanDerWaalsContact CD2-CZ 3.42Å; L59-F84 HydrophobicContact CG-CE1 3.61Å; L59-F84 HydrophobicContact CG-CE2 3.96Å; L59-F84 HydrophobicContact CG-CZ 3.2Å; L62-F84 HydrophobicContact CD1-CB 3.95Å; L62-F84 HydrophobicContact CD1-CD1 4.28Å; L62-F84 HydrophobicContact CD1-CD2 4.39Å; L62-F84 HydrophobicContact CD1-CG 3.9Å; Q80-F84 VanDerWaalsContact O-CB 3.29Å; Q80-F84 WeakPolarHBondContact O-CB 3.33Å; Q80-F84 PolarHBondContact O-N 2.82Å; V81-F84 WeakPolarHBondContact O-CB 3.26Å; V81-F84 PolarHBondContact O-N 2.84Å; Q82-F84 VanDerWaalsContact C-N 3.32Å; Q82-F84 PolarHBondContact O-N 3.22Å; F84-S86 VanDerWaalsContact C-N 3.26Å; F84-S86 PolarHBondContact O-N 3.32Å; F84-T87 PolarHBondContact O-N 3.35Å; F84-C88 HydrophobicContact CD2-CB 4.47Å; F84-C88 HydrophobicContact CE1-CB 4.08Å; F84-C88 HydrophobicContact CE2-CB 3.96Å; F84-C88 HydrophobicContact CZ-CB 3.69Å; F84-C88 WeakPolarHBondContact CZ-SG 3.22Å; F84-C88 WeakPolarHBondContact O-CB 2.9Å; F84-C88 PolarHBondContact O-N 3.29Å; F84-F100 HydrophobicContact CE1-CD2 4.4Å; F84-F100 HydrophobicContact CE1-CE2 4.01Å
85I79.8Confident75.5Confident4 Ų446.7 Ų46.72%0.02124%0.239CC..Hα-helixtrans-61.6-35.7-178.8-63-65.8000111.6V81 Q82 F100 I123 Q126 A127V81-I85 HydrophobicContact CG1-CG1 4.04Å; V81-I85 WeakPolarHBondContact O-CG1 3.29Å; V81-I85 PolarHBondContact O-N 2.76Å; Q82-I85 PolarHBondContact O-N 2.73Å; I85-F100 HydrophobicContact CD1-CE2 3.56Å; I85-F100 HydrophobicContact CD1-CZ 3.47Å; I85-F100 VanDerWaalsContact CD1-CZ 3.47Å; I85-I123 HydrophobicContact CB-CG2 4.09Å; I85-I123 HydrophobicContact CG1-CG2 3.92Å; I85-I123 HydrophobicContact CG2-CG2 4.1Å; I85-Q126 HydrophobicContact CG2-CB 3.84Å; I85-A127 HydrophobicContact CD1-CB 4.23Å; I85-A127 HydrophobicContact CG2-CB 4.04Å
86S80.4Confident75.3Confident57 Ų5743 Ų4340%0.39922%0.224SC..Hα-helixtrans-70.7-33.4178.870.40000113.9Q82 L83 F84Q82-S86 WeakPolarHBondContact O-CB 3.43Å; Q82-S86 PolarHBondContact O-N 3.17Å; Q82-S86 PolarHBondContact O-OG 2.82Å; L83-S86 PolarHBondContact O-N 2.84Å; L83-S86 PolarHBondContact O-OG 3.02Å; F84-S86 VanDerWaalsContact C-N 3.26Å; F84-S86 PolarHBondContact O-N 3.32Å
87T77.6Confident75.2Confident46 Ų4639.8 Ų39.828%0.28220%0.203SC..Hα-helixtrans-108.3-7.4-172.353.80000114I51 Q52 L83 F84I51-T87 WeakPolarHBondContact CG2-OG1 3.47Å; Q52-T87 PolarHBondContact NE2-O 2.89Å; L83-T87 HydrophobicContact CD1-CG2 4.2Å; L83-T87 PolarHBondContact O-N 3.35Å; L83-T87 PolarHBondContact O-OG1 3.14Å; F84-T87 PolarHBondContact O-N 3.35Å
88C71.2Confident75.3Confident1 Ų143 Ų431%0.00722%0.22CC..  trans-65.8144.7-176.4-174.10000113.5S55 F84 I93 K130S55-C88 WeakPolarHBondContact CB-SG 2.98Å; F84-C88 HydrophobicContact CD2-CB 4.47Å; F84-C88 HydrophobicContact CE1-CB 4.08Å; F84-C88 HydrophobicContact CE2-CB 3.96Å; F84-C88 HydrophobicContact CZ-CB 3.69Å; F84-C88 WeakPolarHBondContact CZ-SG 3.22Å; F84-C88 WeakPolarHBondContact O-CB 2.9Å; F84-C88 PolarHBondContact O-N 3.29Å; C88-I93 HydrophobicContact CB-CD1 4Å; C88-I93 WeakPolarHBondContact SG-CD1 3.45Å; C88-I93 WeakPolarHBondContact SG-CG1 3.38Å; C88-K130 PolarHBondContact O-NZ 3.46Å
89N69.6Low75.2Confident51 Ų5143.7 Ų43.727%0.27323%0.225SC..  trans-77.2118.5169.2-172.9-5.6000111E91 H92N89-E91 VanDerWaalsContact C-N 3.27Å; N89-E91 PolarHBondContact O-N 3.44Å; N89-E91 PolarHBondContact OD1-N 2.96Å; N89-E91 VanDerWaalsContact OD1-N 3.07Å; N89-H92 PolarHBondContact O-N 2.85Å
90G67.6Low75.3Confident12 Ų1241.1 Ų41.112%0.12421%0.207CC..Hα-helixtrans-65.5-24.4-179.400000114.1I93 R94G90-I93 PolarHBondContact O-N 3.06Å; G90-R94 WeakPolarHBondContact O-CG 3.36Å; G90-R94 PolarHBondContact O-N 3.46Å
91E69.9Low75.6Confident112 Ų11238.9 Ų38.952%0.52320%0.197SC..Hα-helixtrans-68.7-39.8-179.2-168.5167.7-170.900112.2N89 R94 Y95N89-E91 VanDerWaalsContact C-N 3.27Å; N89-E91 PolarHBondContact O-N 3.44Å; N89-E91 PolarHBondContact OD1-N 2.96Å; N89-E91 VanDerWaalsContact OD1-N 3.07Å; E91-R94 PolarHBondContact O-N 3.17Å; E91-Y95 VanDerWaalsContact O-CD2 3.31Å; E91-Y95 WeakPolarHBondContact O-CD2 3.33Å
92H68.9Low75.7Confident24 Ų2439.5 Ų39.511%0.11120%0.204CC..Hα-helixtrans-72.2-33.7176.9-60.3174.5000112.1M21 S55 N89 R94 Y95M21-H92 WeakPolarHBondContact CE-CD2 3.4Å; M21-H92 WeakPolarHBondContact CE-NE2 3.26Å; M21-H92 HydrophobicContact SD-CB 4.19Å; M21-H92 PolarHBondContact SD-CD2 3.28Å; S55-H92 VanDerWaalsContact OG-CB 3.25Å; S55-H92 WeakPolarHBondContact OG-CB 3.37Å; S55-H92 PolarHBondContact OG-ND1 3.17Å; N89-H92 PolarHBondContact O-N 2.85Å; H92-R94 PolarHBondContact O-N 2.98Å; H92-Y95 PolarHBondContact O-N 3.33Å
93I71.9Confident75.8Confident2 Ų235.3 Ų35.31%0.0118%0.184CC..Hα-helixtrans-61.5-33.6177.6-65.9165.5000110.9L59 C88 G90 Y95 A96 T97 F100 K130 M131L59-I93 HydrophobicContact CD1-CG1 4.33Å; C88-I93 HydrophobicContact CB-CD1 4Å; C88-I93 WeakPolarHBondContact SG-CD1 3.45Å; C88-I93 WeakPolarHBondContact SG-CG1 3.38Å; G90-I93 PolarHBondContact O-N 3.06Å; I93-Y95 PolarHBondContact O-N 2.85Å; I93-A96 CarbonylContact O-C 3.59Å; I93-A96 PolarHBondContact O-N 2.89Å; I93-A96 VanDerWaalsContact O-N 3.08Å; I93-T97 PolarHBondContact O-N 3.21Å; I93-T97 VanDerWaalsContact O-N 3.1Å; I93-F100 HydrophobicContact CB-CD2 4.39Å; I93-F100 HydrophobicContact CD1-CD2 4.01Å; I93-F100 HydrophobicContact CD1-CE2 3.55Å; I93-F100 HydrophobicContact CD1-CZ 4.16Å; I93-F100 HydrophobicContact CG1-CD2 3.91Å; I93-F100 HydrophobicContact CG1-CE2 3.99Å; I93-F100 HydrophobicContact CG2-CB 3.98Å; I93-F100 HydrophobicContact CG2-CD1 4.06Å; I93-F100 HydrophobicContact CG2-CD2 3.56Å; I93-F100 HydrophobicContact CG2-CE1 4.43Å; I93-F100 HydrophobicContact CG2-CE2 4.01Å; I93-F100 HydrophobicContact CG2-CG 3.59Å; I93-F100 HydrophobicContact CG2-CZ 4.41Å; I93-K130 HydrophobicContact CD1-CB 4.22Å; I93-M131 HydrophobicContact CG2-CG 4.15Å
94R72.8Confident76.1Confident97 Ų9731 Ų3137%0.36616%0.162SC..Hα-helixtrans-60-31.1179.1-69.4168.5-176.4179.7-5.1112.9G90 E91 H92G90-R94 WeakPolarHBondContact O-CG 3.36Å; G90-R94 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 3.17Å; H92-R94 PolarHBondContact O-N 2.98Å
95Y70.3Confident76.5Confident108 Ų10832.3 Ų32.342%0.42417%0.168SC..Hα-helixtrans-78.9-22178.4-66.2-77.6000113.6M21 C25 E91 H92 I93 N173M21-Y95 HydrophobicContact CB-CD1 4.32Å; M21-Y95 HydrophobicContact CB-CD2 3.93Å; M21-Y95 HydrophobicContact CB-CE2 4.2Å; M21-Y95 HydrophobicContact CB-CG 4Å; M21-Y95 HydrophobicContact CG-CD2 4.07Å; M21-Y95 HydrophobicContact CG-CE2 4.08Å; M21-Y95 HydrophobicContact SD-CD2 4.25Å; C25-Y95 PolarHBondContact SG-O 2.94Å; C25-Y95 VanDerWaalsContact SG-O 3.39Å; E91-Y95 VanDerWaalsContact O-CD2 3.31Å; E91-Y95 WeakPolarHBondContact O-CD2 3.33Å; H92-Y95 PolarHBondContact O-N 3.33Å; I93-Y95 PolarHBondContact O-N 2.85Å; Y95-N173 PolarHBondContact O-ND2 3.24Å; Y95-N173 VanDerWaalsContact O-ND2 3.14Å
96A73.3Confident76.7Confident8 Ų835.6 Ų35.67%0.06618%0.183CC..THydrogen-bonded Turntrans-13156.9175.100000111.9L56 I93 D98 T99 F100L56-A96 HydrophobicContact CD1-CB 3.24Å; L56-A96 HydrophobicContact CD2-CB 4.46Å; L56-A96 HydrophobicContact CG-CB 4.17Å; I93-A96 CarbonylContact O-C 3.59Å; I93-A96 PolarHBondContact O-N 2.89Å; I93-A96 VanDerWaalsContact O-N 3.08Å; A96-D98 PolarHBondContact O-N 3.04Å; A96-T99 WeakPolarHBondContact CB-OG1 3.02Å; A96-T99 PolarHBondContact O-OG1 3.26Å; A96-F100 WeakPolarHBondContact O-CB 3.44Å; A96-F100 PolarHBondContact O-N 3.41Å
97T75.1Confident76.9Confident10 Ų1033.1 Ų33.16%0.06117%0.165CC..Hα-helixtrans-60.6-33.5173.539.10000112.2I93 F100 A101 M131 E172I93-T97 PolarHBondContact O-N 3.21Å; I93-T97 VanDerWaalsContact O-N 3.1Å; T97-F100 PolarHBondContact O-N 3.02Å; T97-A101 WeakPolarHBondContact O-CB 3.49Å; T97-A101 PolarHBondContact O-N 3.33Å; T97-M131 HydrophobicContact CG2-CE 4.09Å; T97-E172 VanDerWaalsContact OG1-CA 3.27Å; T97-E172 WeakPolarHBondContact OG1-CA 3.4Å
98D77.8Confident77.4Confident76 Ų7630.9 Ų30.941%0.40615%0.152SC..Hα-helixtrans-58.3-58176.3179.718.7000112.8A96 F100 A101 G102 A175A96-D98 PolarHBondContact O-N 3.04Å; D98-F100 VanDerWaalsContact C-N 3.29Å; D98-F100 PolarHBondContact O-N 3.17Å; D98-A101 PolarHBondContact O-N 3.43Å; D98-G102 PolarHBondContact O-N 3.44Å; D98-A175 HydrophobicContact CB-CB 3.98Å; D98-A175 WeakPolarHBondContact OD1-CB 3.23Å
99T75.7Confident78.1Confident17 Ų1734.4 Ų34.410%0.10417%0.171CC..Hα-helixtrans-67.5-31.6-179.256.20000112.4A96 L103A96-T99 WeakPolarHBondContact CB-OG1 3.02Å; A96-T99 PolarHBondContact O-OG1 3.26Å; T99-L103 WeakPolarHBondContact O-CB 3.48Å; T99-L103 PolarHBondContact O-N 3.3Å
100F82.1Confident78.9Confident2 Ų232.8 Ų32.81%0.00916%0.164CC..Hα-helixtrans-69.5-46.2175.9-171.8-82.8000112.3L59 F84 I85 I93 A96 T97 D98 L103 C104 A127 M131L59-F100 HydrophobicContact CD1-CD2 3.85Å; L59-F100 HydrophobicContact CD2-CD2 3.63Å; L59-F100 HydrophobicContact CD2-CE2 4.28Å; L59-F100 HydrophobicContact CD2-CG 4.47Å; L59-F100 HydrophobicContact CG-CD2 4.37Å; F84-F100 HydrophobicContact CE1-CD2 4.4Å; F84-F100 HydrophobicContact CE1-CE2 4.01Å; I85-F100 HydrophobicContact CD1-CE2 3.56Å; I85-F100 HydrophobicContact CD1-CZ 3.47Å; I85-F100 VanDerWaalsContact CD1-CZ 3.47Å; I93-F100 HydrophobicContact CB-CD2 4.39Å; I93-F100 HydrophobicContact CD1-CD2 4.01Å; I93-F100 HydrophobicContact CD1-CE2 3.55Å; I93-F100 HydrophobicContact CD1-CZ 4.16Å; I93-F100 HydrophobicContact CG1-CD2 3.91Å; I93-F100 HydrophobicContact CG1-CE2 3.99Å; I93-F100 HydrophobicContact CG2-CB 3.98Å; I93-F100 HydrophobicContact CG2-CD1 4.06Å; I93-F100 HydrophobicContact CG2-CD2 3.56Å; I93-F100 HydrophobicContact CG2-CE1 4.43Å; I93-F100 HydrophobicContact CG2-CE2 4.01Å; I93-F100 HydrophobicContact CG2-CG 3.59Å; I93-F100 HydrophobicContact CG2-CZ 4.41Å; A96-F100 WeakPolarHBondContact O-CB 3.44Å; A96-F100 PolarHBondContact O-N 3.41Å; T97-F100 PolarHBondContact O-N 3.02Å; D98-F100 VanDerWaalsContact C-N 3.29Å; D98-F100 PolarHBondContact O-N 3.17Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.39Å; F100-C104 PolarHBondContact O-N 3.18Å; F100-C104 PolarHBondContact O-SG 3.34Å; F100-A127 HydrophobicContact CE1-CB 3.84Å; F100-A127 HydrophobicContact CZ-CB 3.83Å; F100-M131 HydrophobicContact CD1-CE 3.76Å; F100-M131 HydrophobicContact CD1-CG 3.57Å; F100-M131 HydrophobicContact CD1-SD 3.27Å; F100-M131 WeakPolarHBondContact CD1-SD 3.37Å; F100-M131 HydrophobicContact CE1-CE 4.44Å; F100-M131 HydrophobicContact CE1-CG 3.37Å; F100-M131 HydrophobicContact CE1-SD 3.39Å; F100-M131 WeakPolarHBondContact CE1-SD 3.44Å; F100-M131 HydrophobicContact CG-SD 4.47Å; F100-M131 HydrophobicContact CZ-CG 4.25Å
101A83.1Confident79.7Confident2 Ų232.3 Ų32.32%0.01716%0.159CC..Hα-helixtrans-61.9-45.5174.100000110.7T97 D98 L103 C104 H105 M131 E172T97-A101 WeakPolarHBondContact O-CB 3.49Å; T97-A101 PolarHBondContact O-N 3.33Å; D98-A101 PolarHBondContact O-N 3.43Å; A101-L103 VanDerWaalsContact C-N 3.31Å; A101-L103 PolarHBondContact O-N 3.45Å; A101-C104 WeakPolarHBondContact O-CA 3.25Å; A101-C104 WeakPolarHBondContact O-CB 3.38Å; A101-C104 PolarHBondContact O-N 3.1Å; A101-H105 PolarHBondContact O-CD2 2.84Å; A101-H105 VanDerWaalsContact O-CG 3.29Å; A101-H105 PolarHBondContact O-N 3.06Å; A101-M131 HydrophobicContact CB-CE 4.35Å; A101-E172 WeakPolarHBondContact CB-OE2 3.23Å
102G81.9Confident80.6Confident15 Ų1529.2 Ų29.216%0.15515%0.147CC..Hα-helixtrans-54.4-44.6173.300000112.7D98 C104 H105 Q106D98-G102 PolarHBondContact O-N 3.44Å; G102-C104 VanDerWaalsContact C-N 3.35Å; G102-C104 PolarHBondContact O-N 3.13Å; G102-H105 PolarHBondContact O-N 3.39Å; G102-Q106 VanDerWaalsContact O-CG 3.3Å; G102-Q106 WeakPolarHBondContact O-CG 3.26Å; G102-Q106 PolarHBondContact O-N 3.43Å
103L83.8Confident81.5Confident1 Ų135.9 Ų35.91%0.00518%0.179CC..Hα-helixtrans-61.9-42.9176.117966.3000111.6L59 L62 F63 F66 T99 F100 A101 Q106 L107L59-L103 HydrophobicContact CD2-CD2 3.61Å; L62-L103 HydrophobicContact CB-CD1 4.25Å; L62-L103 HydrophobicContact CB-CD2 4.33Å; F63-L103 HydrophobicContact CD2-CB 4.11Å; F66-L103 HydrophobicContact CD2-CD1 3.48Å; F66-L103 VanDerWaalsContact CD2-CD1 3.48Å; F66-L103 HydrophobicContact CE2-CD1 4.02Å; F66-L103 HydrophobicContact CG-CD1 4.2Å; T99-L103 WeakPolarHBondContact O-CB 3.48Å; T99-L103 PolarHBondContact O-N 3.3Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.39Å; A101-L103 VanDerWaalsContact C-N 3.31Å; A101-L103 PolarHBondContact O-N 3.45Å; L103-Q106 PolarHBondContact O-N 3.07Å; L103-L107 VanDerWaalsContact O-CB 3.3Å; L103-L107 WeakPolarHBondContact O-CB 3.35Å; L103-L107 PolarHBondContact O-N 2.93Å
104C86.4Confident82Confident4 Ų441.6 Ų41.63%0.02720%0.2CC..Hα-helixtrans-62.2-45.1176.2-65.30000111.4F100 A101 G102 Q106 L107 T108 L124 V141F100-C104 PolarHBondContact O-N 3.18Å; F100-C104 PolarHBondContact O-SG 3.34Å; A101-C104 WeakPolarHBondContact O-CA 3.25Å; A101-C104 WeakPolarHBondContact O-CB 3.38Å; A101-C104 PolarHBondContact O-N 3.1Å; G102-C104 VanDerWaalsContact C-N 3.35Å; G102-C104 PolarHBondContact O-N 3.13Å; C104-Q106 PolarHBondContact O-N 2.85Å; C104-L107 WeakPolarHBondContact O-CB 3.47Å; C104-L107 PolarHBondContact O-N 3.43Å; C104-T108 WeakPolarHBondContact O-CB 3.23Å; C104-T108 PolarHBondContact O-N 2.6Å; C104-T108 PolarHBondContact O-OG1 2.89Å; C104-L124 HydrophobicContact CB-CD2 3.94Å; C104-V141 HydrophobicContact CB-CG1 3.97Å; C104-V141 HydrophobicContact CB-CG2 3.77Å
105H87.4Confident82.6Confident29 Ų2945.7 Ų45.713%0.13422%0.221CC..Hα-helixtrans-61.2-44.2176.6-65.4-43.7000112.5A101 G102 T108 N109 S140 D144 H180A101-H105 PolarHBondContact O-CD2 2.84Å; A101-H105 VanDerWaalsContact O-CG 3.29Å; A101-H105 PolarHBondContact O-N 3.06Å; G102-H105 PolarHBondContact O-N 3.39Å; H105-T108 WeakPolarHBondContact O-CB 3.43Å; H105-T108 PolarHBondContact O-N 2.77Å; H105-N109 VanDerWaalsContact O-CG 3.29Å; H105-N109 PolarHBondContact O-N 3.23Å; H105-N109 PolarHBondContact O-ND2 3.01Å; H105-S140 WeakPolarHBondContact NE2-CB 3.43Å; H105-S140 PolarHBondContact NE2-OG 3.42Å; H105-D144 VanDerWaalsContact CA-OD2 3.25Å; H105-D144 WeakPolarHBondContact CA-OD2 3.46Å; H105-D144 IonicContact CE1-OD1 3.57Å; H105-D144 IonicContact CE1-OD2 3.61Å; H105-D144 IonicContact CG-OD2 2.71Å; H105-D144 PolarHBondContact N-OD2 3.01Å; H105-D144 IonicContact ND1-OD1 2.7Å; H105-D144 PolarHBondContact ND1-OD1 3.38Å; H105-D144 VanDerWaalsContact ND1-OD1 3.12Å; H105-D144 IonicContact ND1-OD2 3.15Å; H105-D144 PolarHBondContact ND1-OD2 3.2Å; H105-H180 AromaticContact CE1-CD2 3.67Å; H105-H180 AromaticContact CE1-CE1 3.98Å; H105-H180 AromaticContact CE1-NE2 3.54Å; H105-H180 AromaticContact ND1-NE2 3.99Å; H105-H180 AromaticContact NE2-CE1 3.69Å; H105-H180 AromaticContact NE2-NE2 3.67Å
106Q83.8Confident83.2Confident74 Ų7445 Ų4535%0.34622%0.221SC..Hα-helixtrans-65.7-41.6176.7-68.3-62.5-16.600111.8F63 F66 G102 L103 C104 T108 N109 A110F63-Q106 HydrophobicContact CE2-CG 4.24Å; F66-Q106 HydrophobicContact CB-CB 4.14Å; G102-Q106 VanDerWaalsContact O-CG 3.3Å; G102-Q106 WeakPolarHBondContact O-CG 3.26Å; G102-Q106 PolarHBondContact O-N 3.43Å; L103-Q106 PolarHBondContact O-N 3.07Å; C104-Q106 PolarHBondContact O-N 2.85Å; Q106-T108 VanDerWaalsContact C-N 3.34Å; Q106-T108 PolarHBondContact O-N 3.26Å; Q106-N109 PolarHBondContact O-N 3.01Å; Q106-A110 WeakPolarHBondContact O-CB 3.31Å; Q106-A110 PolarHBondContact O-N 2.82Å
107L85.2Confident83.6Confident4 Ų445.3 Ų45.32%0.02122%0.223CC..Hα-helixtrans-60.3-45174.3179.866.6000111.1F66 F78 V81 L103 C104 A110 L111 I123F66-L107 HydrophobicContact CE1-CD1 4.14Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å; F78-L107 HydrophobicContact CD2-CD1 3.9Å; F78-L107 HydrophobicContact CE2-CD1 4.11Å; V81-L107 HydrophobicContact CG1-CD2 4.1Å; L103-L107 VanDerWaalsContact O-CB 3.3Å; L103-L107 WeakPolarHBondContact O-CB 3.35Å; L103-L107 PolarHBondContact O-N 2.93Å; C104-L107 WeakPolarHBondContact O-CB 3.47Å; C104-L107 PolarHBondContact O-N 3.43Å; L107-A110 PolarHBondContact O-N 3.27Å; L107-L111 HydrophobicContact CD1-CD1 4.24Å; L107-L111 HydrophobicContact CD1-CG 4.36Å; L107-L111 HydrophobicContact CG-CD1 4.02Å; L107-L111 WeakPolarHBondContact O-CB 3.15Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.27Å; L107-I123 HydrophobicContact CD2-CG2 4.31Å
108T87.8Confident84.2Confident0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-58.3-53.4176.5-61.10000110.5C104 H105 Q106 A110 L111 V112 D144 L148C104-T108 WeakPolarHBondContact O-CB 3.23Å; C104-T108 PolarHBondContact O-N 2.6Å; C104-T108 PolarHBondContact O-OG1 2.89Å; H105-T108 WeakPolarHBondContact O-CB 3.43Å; H105-T108 PolarHBondContact O-N 2.77Å; Q106-T108 VanDerWaalsContact C-N 3.34Å; Q106-T108 PolarHBondContact O-N 3.26Å; T108-A110 VanDerWaalsContact C-N 3.35Å; T108-A110 PolarHBondContact O-N 3.32Å; T108-L111 PolarHBondContact O-N 3.09Å; T108-V112 HydrophobicContact CG2-CG2 4.45Å; T108-V112 VanDerWaalsContact O-CG2 3.25Å; T108-V112 WeakPolarHBondContact O-CG2 3.45Å; T108-V112 PolarHBondContact O-N 3.34Å; T108-D144 HydrophobicContact CG2-CB 3.87Å; T108-D144 WeakPolarHBondContact OG1-CB 3.26Å; T108-D144 PolarHBondContact OG1-OD2 2.99Å; T108-D144 VanDerWaalsContact OG1-OD2 3.05Å; T108-L148 HydrophobicContact CG2-CD2 3.89Å; T108-L148 HydrophobicContact CG2-CG 4.07Å
109N87.1Confident84.4Confident75 Ų7550.9 Ų50.940%0.40124%0.244SC..Hα-helixtrans-57.8-45.8179.2-70.2-30.7000112.1H105 Q106 L111 V112 E113H105-N109 VanDerWaalsContact O-CG 3.29Å; H105-N109 PolarHBondContact O-N 3.23Å; H105-N109 PolarHBondContact O-ND2 3.01Å; Q106-N109 PolarHBondContact O-N 3.01Å; N109-L111 VanDerWaalsContact C-N 3.35Å; N109-L111 PolarHBondContact O-N 3.03Å; N109-V112 PolarHBondContact O-N 3.35Å; N109-E113 WeakPolarHBondContact O-CG 3.48Å; N109-E113 PolarHBondContact O-N 2.99Å
110A84.6Confident84.7Confident16 Ų1650.1 Ų50.113%0.13224%0.239CC..Hα-helixtrans-63.9-38.1178.700000112.6F74 Q106 L107 T108 R114F74-A110 HydrophobicContact CE2-CB 3.74Å; F74-A110 HydrophobicContact CZ-CB 4.4Å; Q106-A110 WeakPolarHBondContact O-CB 3.31Å; Q106-A110 PolarHBondContact O-N 2.82Å; L107-A110 PolarHBondContact O-N 3.27Å; T108-A110 VanDerWaalsContact C-N 3.35Å; T108-A110 PolarHBondContact O-N 3.32Å; A110-R114 WeakPolarHBondContact O-CB 3.36Å; A110-R114 VanDerWaalsContact O-CG 3.23Å; A110-R114 WeakPolarHBondContact O-CG 3.24Å; A110-R114 PolarHBondContact O-N 3.45Å; A110-R114 VanDerWaalsContact O-N 3.07Å
111L85.8Confident84.9Confident2 Ų250.2 Ų50.21%0.0124%0.24CC..Hα-helixtrans-69-34.7175.5-72.1171.9000112.7F74 F78 L107 T108 N109 K115 Q116 L148F74-L111 HydrophobicContact CE1-CD2 4.21Å; F74-L111 HydrophobicContact CZ-CD2 3.94Å; F74-L111 HydrophobicContact CZ-CG 4.42Å; F78-L111 HydrophobicContact CD2-CD2 4.34Å; F78-L111 HydrophobicContact CE2-CD1 4.26Å; F78-L111 HydrophobicContact CE2-CD2 3.93Å; L107-L111 HydrophobicContact CD1-CD1 4.24Å; L107-L111 HydrophobicContact CD1-CG 4.36Å; L107-L111 HydrophobicContact CG-CD1 4.02Å; L107-L111 WeakPolarHBondContact O-CB 3.15Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.27Å; T108-L111 PolarHBondContact O-N 3.09Å; N109-L111 VanDerWaalsContact C-N 3.35Å; N109-L111 PolarHBondContact O-N 3.03Å; L111-K115 PolarHBondContact O-N 3.12Å; L111-K115 VanDerWaalsContact O-N 3.09Å; L111-Q116 PolarHBondContact O-N 2.94Å; L111-Q116 VanDerWaalsContact O-N 3.12Å; L111-L148 HydrophobicContact CB-CD2 4.33Å; L111-L148 HydrophobicContact CD1-CD1 4.16Å
112V88.1Confident85Confident47 Ų4754.5 Ų54.529%0.28527%0.266SS..Hα-helixtrans-65.9-47.7175172.60000110.5T108 N109 R114 K115 L148 L151T108-V112 HydrophobicContact CG2-CG2 4.45Å; T108-V112 VanDerWaalsContact O-CG2 3.25Å; T108-V112 WeakPolarHBondContact O-CG2 3.45Å; T108-V112 PolarHBondContact O-N 3.34Å; N109-V112 PolarHBondContact O-N 3.35Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 3.25Å; V112-K115 PolarHBondContact O-N 3.41Å; V112-K115 VanDerWaalsContact O-N 3.17Å; V112-L148 HydrophobicContact CG2-CD2 3.97Å; V112-L151 HydrophobicContact CB-CD1 4.28Å; V112-L151 HydrophobicContact CG1-CD1 3.9Å; V112-L151 HydrophobicContact CG2-CD1 3.52Å
113E87.3Confident85.2Confident165 Ų16554 Ų5477%0.77126%0.259SS*.Hα-helixtrans-60.6-39.3177-73.3-176.3173.200112.3N109 K115N109-E113 WeakPolarHBondContact O-CG 3.48Å; N109-E113 PolarHBondContact O-N 2.99Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 3.19Å
114R83.9Confident85.3Confident122 Ų12254 Ų5446%0.4626%0.259SS..THydrogen-bonded Turntrans-83.3-0.7179.7-62.3-179.599.3-133.83.6114.2F74 A110 V112 Q116F74-R114 VanDerWaalsContact CE1-NH1 3.34Å; A110-R114 WeakPolarHBondContact O-CB 3.36Å; A110-R114 VanDerWaalsContact O-CG 3.23Å; A110-R114 WeakPolarHBondContact O-CG 3.24Å; A110-R114 PolarHBondContact O-N 3.45Å; A110-R114 VanDerWaalsContact O-N 3.07Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 3.25Å; R114-Q116 VanDerWaalsContact C-N 3.26Å; R114-Q116 PolarHBondContact O-N 3.49Å
115K84.2Confident85.4Confident183 Ų18357.6 Ų57.680%0.79627%0.274SS*.THydrogen-bonded Turntrans58.228.4179.2-55.8179.9178.8176.40114.9L111 V112 E113 P117L111-K115 PolarHBondContact O-N 3.12Å; L111-K115 VanDerWaalsContact O-N 3.09Å; V112-K115 PolarHBondContact O-N 3.41Å; V112-K115 VanDerWaalsContact O-N 3.17Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 3.19Å; K115-P117 WeakPolarHBondContact O-CD 3.43Å
116Q82.9Confident85.2Confident93 Ų9359.7 Ų59.744%0.43528%0.284SS..  trans-120.454.4177.4-67.4-175.9-23.500113L111 R114 L118L111-Q116 PolarHBondContact O-N 2.94Å; L111-Q116 VanDerWaalsContact O-N 3.12Å; R114-Q116 VanDerWaalsContact C-N 3.26Å; R114-Q116 PolarHBondContact O-N 3.49Å; Q116-L118 VanDerWaalsContact C-N 3.3Å; Q116-L118 PolarHBondContact O-N 3.1Å
117P82.7Confident85.3Confident15 Ų1556.1 Ų56.110%0.09727%0.268CS..Hα-helixtrans-68.8-23.2-172.128.6-36.4000114.3K115 R119 G120 L148 L151 A152K115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-R119 VanDerWaalsContact C-N 3.34Å; P117-R119 PolarHBondContact O-N 3.47Å; P117-G120 PolarHBondContact O-N 3.12Å; P117-L148 HydrophobicContact CB-CB 4.21Å; P117-L148 HydrophobicContact CB-CD2 3.72Å; P117-L151 HydrophobicContact CB-CB 4.28Å; P117-L151 HydrophobicContact CG-CB 3.98Å; P117-A152 HydrophobicContact CB-CB 4.39Å; P117-A152 HydrophobicContact CG-CB 3.95Å
118L86.5Confident85.3Confident105 Ų10556 Ų5655%0.5527%0.267SS..Hα-helixtrans-63.2-36.1-172.8-173.365.9000113.3Q116 G120 V121 A152 C154Q116-L118 VanDerWaalsContact C-N 3.3Å; Q116-L118 PolarHBondContact O-N 3.1Å; L118-G120 VanDerWaalsContact C-N 3.29Å; L118-G120 PolarHBondContact O-N 3.15Å; L118-V121 PolarHBondContact O-N 3.12Å; L118-A152 HydrophobicContact CB-CB 4.3Å; L118-A152 HydrophobicContact CD1-CB 4.17Å; L118-C154 HydrophobicContact CD1-CB 4.13Å
119R82.4Confident85.2Confident98 Ų9859.6 Ų59.637%0.3729%0.286SS..Hα-helixtrans-67.7-31.4179.4-64.4178.369.2-1773.2112E75 F78 P117E75-R119 VanDerWaalsContact CD-NH1 3.33Å; E75-R119 IonicContact OE1-CZ 2.73Å; E75-R119 VanDerWaalsContact OE1-CZ 3.24Å; E75-R119 IonicContact OE1-NH1 2.69Å; E75-R119 PolarHBondContact OE1-NH1 2.91Å; E75-R119 IonicContact OE1-NH2 3.67Å; E75-R119 PolarHBondContact OE1-NH2 3.28Å; E75-R119 IonicContact OE2-NH1 2.71Å; E75-R119 PolarHBondContact OE2-NH1 3.43Å; F78-R119 HydrophobicContact CE1-CB 4.26Å; F78-R119 HydrophobicContact CZ-CB 3.74Å; P117-R119 VanDerWaalsContact C-N 3.34Å; P117-R119 PolarHBondContact O-N 3.47Å
120G82.6Confident84.9Confident0 Ų059.7 Ų59.70%028%0.283CS..Hα-helixtrans-73.4-26.5-179.600000114P117 L118 V122 I123 L124P117-G120 PolarHBondContact O-N 3.12Å; L118-G120 VanDerWaalsContact C-N 3.29Å; L118-G120 PolarHBondContact O-N 3.15Å; G120-V122 PolarHBondContact O-N 3.09Å; G120-I123 PolarHBondContact O-N 3.17Å; G120-I123 VanDerWaalsContact O-N 3.16Å; G120-L124 WeakPolarHBondContact O-CG 3.47Å; G120-L124 PolarHBondContact O-N 3.05Å
121V86.6Confident84.5Confident5 Ų559.1 Ų59.13%0.0328%0.278CS..Hα-helixtrans-58.7-44.9-176.5175.30000112.2L118 I123 K125 L145 L148 C149 P157L118-V121 PolarHBondContact O-N 3.12Å; V121-I123 VanDerWaalsContact C-N 3.33Å; V121-I123 PolarHBondContact O-N 3.43Å; V121-K125 WeakPolarHBondContact O-CB 3.35Å; V121-K125 PolarHBondContact O-N 2.86Å; V121-L145 HydrophobicContact CB-CD1 4.49Å; V121-L145 HydrophobicContact CG1-CD1 3.9Å; V121-L145 WeakPolarHBondContact O-CD1 3.48Å; V121-L148 HydrophobicContact CG2-CB 3.91Å; V121-C149 VanDerWaalsContact CG1-SG 3.55Å; V121-P157 HydrophobicContact CG1-CB 3.92Å; V121-P157 HydrophobicContact CG1-CG 3.63Å
122V85.1Confident84.1Confident91 Ų9160.4 Ų60.455%0.55228%0.284SS*.Hα-helixtrans-67.5-37.5180-179.40000111.1G120 Q126G120-V122 PolarHBondContact O-N 3.09Å; V122-Q126 WeakPolarHBondContact O-CG 3.42Å; V122-Q126 PolarHBondContact O-N 3.45Å
123I84.4Confident83.2Confident4 Ų463.1 Ų63.12%0.02130%0.295CS..Hα-helixtrans-69.8-48.1-180-59.5178.3000110.3F78 Q82 I85 L107 G120 V121 K125 Q126 A127F78-I123 HydrophobicContact CE1-CD1 3.72Å; F78-I123 HydrophobicContact CE2-CD1 3.69Å; F78-I123 HydrophobicContact CZ-CD1 3.17Å; F78-I123 HydrophobicContact CZ-CG1 4.48Å; Q82-I123 HydrophobicContact CB-CD1 3.87Å; Q82-I123 HydrophobicContact CG-CD1 4.01Å; Q82-I123 HydrophobicContact CG-CG1 4.23Å; I85-I123 HydrophobicContact CB-CG2 4.09Å; I85-I123 HydrophobicContact CG1-CG2 3.92Å; I85-I123 HydrophobicContact CG2-CG2 4.1Å; L107-I123 HydrophobicContact CD2-CG2 4.31Å; G120-I123 PolarHBondContact O-N 3.17Å; G120-I123 VanDerWaalsContact O-N 3.16Å; V121-I123 VanDerWaalsContact C-N 3.33Å; V121-I123 PolarHBondContact O-N 3.43Å; I123-K125 VanDerWaalsContact C-N 3.28Å; I123-K125 PolarHBondContact O-N 3.36Å; I123-Q126 WeakPolarHBondContact O-CB 3.02Å; I123-Q126 PolarHBondContact O-N 2.87Å; I123-Q126 VanDerWaalsContact O-N 3.14Å; I123-A127 PolarHBondContact O-N 3.37Å
124L86.6Confident82.3Confident1 Ų160.4 Ų60.41%0.00529%0.285CS..Hα-helixtrans-63.8-35.2178.6-69.9-171.3000112.1C104 G120 Q126 A127 I128 V141 D144 L145 L148C104-L124 HydrophobicContact CB-CD2 3.94Å; G120-L124 WeakPolarHBondContact O-CG 3.47Å; G120-L124 PolarHBondContact O-N 3.05Å; L124-Q126 PolarHBondContact O-N 2.63Å; L124-A127 WeakPolarHBondContact O-CB 3.44Å; L124-A127 PolarHBondContact O-N 2.9Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 3.07Å; L124-V141 HydrophobicContact CB-CG1 4.39Å; L124-V141 HydrophobicContact CD2-CG1 3.88Å; L124-D144 HydrophobicContact CD1-CB 3.8Å; L124-L145 HydrophobicContact CB-CD1 4.01Å; L124-L148 HydrophobicContact CD1-CD1 3.45Å; L124-L148 VanDerWaalsContact CD1-CD1 3.45Å; L124-L148 HydrophobicContact CD1-CG 4.15Å; L124-L148 HydrophobicContact CG-CD1 4.18Å
125K88.1Confident81.5Confident80 Ų8058.8 Ų58.835%0.34829%0.289SS..Hα-helixtrans-56.3-50.6171.3171.3168.7-174.3-175.70111.5V121 I123 A127 I128 D129 F161V121-K125 WeakPolarHBondContact O-CB 3.35Å; V121-K125 PolarHBondContact O-N 2.86Å; I123-K125 VanDerWaalsContact C-N 3.28Å; I123-K125 PolarHBondContact O-N 3.36Å; K125-A127 VanDerWaalsContact C-N 3.29Å; K125-A127 PolarHBondContact O-N 2.88Å; K125-I128 PolarHBondContact O-N 2.89Å; K125-D129 PolarHBondContact O-N 3.47Å; K125-F161 HydrophobicContact CB-CE2 4.28Å; K125-F161 HydrophobicContact CD-CE2 3.94Å; K125-F161 HydrophobicContact CD-CZ 4.25Å; K125-F161 HydrophobicContact CG-CE2 3.71Å; K125-F161 HydrophobicContact CG-CZ 3.72Å
126Q84.3Confident80.8Confident73 Ų7352 Ų5234%0.34126%0.261SS..Hα-helixtrans-63.7-36.8177.5-69.2174.3-10.900111.8I85 V122 I123 L124 D129 K130I85-Q126 HydrophobicContact CG2-CB 3.84Å; V122-Q126 WeakPolarHBondContact O-CG 3.42Å; V122-Q126 PolarHBondContact O-N 3.45Å; I123-Q126 WeakPolarHBondContact O-CB 3.02Å; I123-Q126 PolarHBondContact O-N 2.87Å; I123-Q126 VanDerWaalsContact O-N 3.14Å; L124-Q126 PolarHBondContact O-N 2.63Å; Q126-D129 PolarHBondContact O-N 3.22Å; Q126-K130 VanDerWaalsContact O-CG 3.23Å; Q126-K130 WeakPolarHBondContact O-CG 3.4Å; Q126-K130 PolarHBondContact O-N 2.93Å; Q126-K130 VanDerWaalsContact O-N 3.14Å
127A84.9Confident80.8Confident0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-62.6-45.6176.800000111.6I85 F100 I123 L124 K125 K130 M131I85-A127 HydrophobicContact CD1-CB 4.23Å; I85-A127 HydrophobicContact CG2-CB 4.04Å; F100-A127 HydrophobicContact CE1-CB 3.84Å; F100-A127 HydrophobicContact CZ-CB 3.83Å; I123-A127 PolarHBondContact O-N 3.37Å; L124-A127 WeakPolarHBondContact O-CB 3.44Å; L124-A127 PolarHBondContact O-N 2.9Å; K125-A127 VanDerWaalsContact C-N 3.29Å; K125-A127 PolarHBondContact O-N 2.88Å; A127-K130 PolarHBondContact O-N 3.21Å; A127-M131 WeakPolarHBondContact O-CG 3.49Å; A127-M131 PolarHBondContact O-N 3.29Å
128I86.1Confident80.9Confident0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-60-47.8175.4-70.3161.7000110.7L124 K125 K130 M131 Q132 V141 H142 L145 F161L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 3.07Å; K125-I128 PolarHBondContact O-N 2.89Å; I128-K130 PolarHBondContact O-N 3.02Å; I128-K130 VanDerWaalsContact O-N 3.14Å; I128-M131 PolarHBondContact O-N 3.39Å; I128-M131 VanDerWaalsContact O-N 3.09Å; I128-Q132 WeakPolarHBondContact O-CG 3.35Å; I128-Q132 PolarHBondContact O-N 2.94Å; I128-V141 HydrophobicContact CD1-CG1 4.23Å; I128-V141 HydrophobicContact CG1-CB 4.01Å; I128-V141 HydrophobicContact CG1-CG1 3.81Å; I128-H142 VanDerWaalsContact CG2-CE1 3.42Å; I128-H142 WeakPolarHBondContact CG2-CE1 3.25Å; I128-H142 VanDerWaalsContact CG2-NE2 3.35Å; I128-H142 WeakPolarHBondContact CG2-NE2 3.22Å; I128-L145 HydrophobicContact CD1-CB 3.96Å; I128-L145 HydrophobicContact CD1-CD2 3.73Å; I128-L145 HydrophobicContact CD1-CG 4.37Å; I128-F161 HydrophobicContact CB-CE1 4.45Å; I128-F161 HydrophobicContact CG2-CD1 4Å; I128-F161 HydrophobicContact CG2-CE1 3.7Å; I128-F161 HydrophobicContact CG2-CZ 4.44Å
129D84.4Confident80.9Confident77 Ų7743.3 Ų43.341%0.41222%0.217SC..Hα-helixtrans-59.1-27.9179.4-71.5-27.9000112.7K125 Q126 Q132K125-D129 PolarHBondContact O-N 3.47Å; Q126-D129 PolarHBondContact O-N 3.22Å; D129-Q132 PolarHBondContact OD1-NE2 2.84Å; D129-Q132 VanDerWaalsContact OD1-NE2 3.13Å
130K81Confident81.1Confident76 Ų7638.6 Ų38.633%0.3320%0.199SC..Hα-helixtrans-86.1-29.9177.3-67.5-73.5-176.4164.20113.7C88 I93 Q126 A127 I128C88-K130 PolarHBondContact O-NZ 3.46Å; I93-K130 HydrophobicContact CD1-CB 4.22Å; Q126-K130 VanDerWaalsContact O-CG 3.23Å; Q126-K130 WeakPolarHBondContact O-CG 3.4Å; Q126-K130 PolarHBondContact O-N 2.93Å; Q126-K130 VanDerWaalsContact O-N 3.14Å; A127-K130 PolarHBondContact O-N 3.21Å; I128-K130 PolarHBondContact O-N 3.02Å; I128-K130 VanDerWaalsContact O-N 3.14Å
131M77.4Confident81.3Confident4 Ų438.6 Ų38.62%0.0220%0.199CC..Hα-helixtrans-79.6-39.6179.3-71.7-173.987.800112.6I93 T97 F100 A101 A127 I128 M133 T139 V141 E172I93-M131 HydrophobicContact CG2-CG 4.15Å; T97-M131 HydrophobicContact CG2-CE 4.09Å; F100-M131 HydrophobicContact CD1-CE 3.76Å; F100-M131 HydrophobicContact CD1-CG 3.57Å; F100-M131 HydrophobicContact CD1-SD 3.27Å; F100-M131 WeakPolarHBondContact CD1-SD 3.37Å; F100-M131 HydrophobicContact CE1-CE 4.44Å; F100-M131 HydrophobicContact CE1-CG 3.37Å; F100-M131 HydrophobicContact CE1-SD 3.39Å; F100-M131 WeakPolarHBondContact CE1-SD 3.44Å; F100-M131 HydrophobicContact CG-SD 4.47Å; F100-M131 HydrophobicContact CZ-CG 4.25Å; A101-M131 HydrophobicContact CB-CE 4.35Å; A127-M131 WeakPolarHBondContact O-CG 3.49Å; A127-M131 PolarHBondContact O-N 3.29Å; I128-M131 PolarHBondContact O-N 3.39Å; I128-M131 VanDerWaalsContact O-N 3.09Å; M131-M133 PolarHBondContact O-N 3.22Å; M131-T139 HydrophobicContact CB-CG2 4.26Å; M131-V141 HydrophobicContact SD-CG2 3.7Å; M131-E172 HydrophobicContact CE-CG 4.45Å; M131-E172 WeakPolarHBondContact CE-OE1 3.46Å
132Q76.5Confident81.5Confident29 Ų2938.5 Ų38.514%0.13620%0.198CC..  trans-67.8130.6-175.868.9-174.8-17.800111I128 D129I128-Q132 WeakPolarHBondContact O-CG 3.35Å; I128-Q132 PolarHBondContact O-N 2.94Å; D129-Q132 PolarHBondContact OD1-NE2 2.84Å; D129-Q132 VanDerWaalsContact OD1-NE2 3.13Å
133M69Low81.8Confident104 Ų10434.2 Ų34.251%0.51217%0.173SC..SBendtrans-79.4-39.9169.7-63.7-162.680.100110.7M131M131-M133 PolarHBondContact O-N 3.22Å
134N68.2Low82.1Confident108 Ų10834.5 Ų34.558%0.57817%0.174SC*.SBendtrans-130.1151.7176.6-64-32000108.2N136 Q137N134-N136 PolarHBondContact O-N 3.41Å; N134-Q137 PolarHBondContact O-N 3.18Å
135T66.8Low82.4Confident88 Ų8834.5 Ų34.554%0.5417%0.174SC..THydrogen-bonded Turntrans-59.6-6.8178.251.40000114.6
136N71.3Confident82.6Confident40 Ų4030.9 Ų30.921%0.21416%0.159CC..THydrogen-bonded Turntrans-101.57.7-173.6-56.1-8.4000112.8N134 M166 M167 D168N134-N136 PolarHBondContact O-N 3.41Å; N136-M166 CarbonylContact O-C 3.19Å; N136-M166 WeakPolarHBondContact O-CA 3.47Å; N136-M166 WeakPolarHBondContact O-CB 3.44Å; N136-M167 PolarHBondContact O-N 2.92Å; N136-D168 PolarHBondContact O-N 3.02Å
137Q81.6Confident83Confident27 Ų2729.4 Ų29.413%0.12615%0.152CC..EExtended strand (participates in β ladder)trans-96.9121.4-178.8-74.4-177.4-31.400112.1N134 T139 H142 D168N134-Q137 PolarHBondContact O-N 3.18Å; Q137-T139 PolarHBondContact O-N 2.85Å; Q137-H142 PolarHBondContact O-CE1 2.85Å; Q137-D168 CarbonylContact C-O 3.56Å; Q137-D168 WeakPolarHBondContact CA-O 3.09Å; Q137-D168 HydrophobicContact CG-CB 4.36Å
138L84.5Confident83.3Confident3 Ų329.4 Ų29.42%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-83.1111.1171.4-174.965.4000109.9H142 M166 D168 C170 F181 Y184 Y185L138-H142 HydrophobicContact CD1-CB 3.88Å; L138-M166 HydrophobicContact CB-CB 4.17Å; L138-M166 HydrophobicContact CB-SD 3.92Å; L138-M166 HydrophobicContact CD1-SD 3.57Å; L138-M166 VanDerWaalsContact CD1-SD 3.57Å; L138-M166 HydrophobicContact CG-SD 4.37Å; L138-D168 PolarHBondContact N-O 2.87Å; L138-C170 PolarHBondContact O-N 3.11Å; L138-F181 HydrophobicContact CD2-CD2 3.71Å; L138-F181 HydrophobicContact CD2-CE2 4.02Å; L138-Y184 HydrophobicContact CD1-CD1 3.53Å; L138-Y184 HydrophobicContact CD1-CD2 4.04Å; L138-Y184 HydrophobicContact CD1-CE1 3.48Å; L138-Y184 VanDerWaalsContact CD1-CE1 3.48Å; L138-Y184 HydrophobicContact CD1-CE2 4Å; L138-Y184 HydrophobicContact CD1-CG 3.79Å; L138-Y184 HydrophobicContact CD2-CD1 3.98Å; L138-Y184 HydrophobicContact CD2-CE1 4.32Å; L138-Y184 HydrophobicContact CG-CD1 4.42Å; L138-Y185 HydrophobicContact CD2-CE2 4.14Å
139T86Confident83.6Confident1 Ų129.4 Ų29.41%0.00615%0.152CC..  trans-97159.217270.10000111.2M131 Q137 V141 H142 C170M131-T139 HydrophobicContact CB-CG2 4.26Å; Q137-T139 PolarHBondContact O-N 2.85Å; T139-V141 PolarHBondContact O-N 3.29Å; T139-H142 PolarHBondContact N-ND1 3.09Å; T139-H142 VanDerWaalsContact N-ND1 3.12Å; T139-H142 WeakPolarHBondContact O-CB 3.47Å; T139-H142 PolarHBondContact O-N 2.89Å; T139-H142 PolarHBondContact O-ND1 3.38Å; T139-H142 PolarHBondContact OG1-CE1 2.64Å; T139-H142 PolarHBondContact OG1-ND1 3.23Å; T139-C170 HydrophobicContact CG2-CB 3.91Å
140S87.4Confident84Confident0 Ų027.7 Ų27.70%014%0.143CC..THydrogen-bonded Turntrans-60.2-33.1178.359.20000112.2H105 H142 A143 E172H105-S140 WeakPolarHBondContact NE2-CB 3.43Å; H105-S140 PolarHBondContact NE2-OG 3.42Å; S140-H142 PolarHBondContact O-N 3.48Å; S140-A143 WeakPolarHBondContact O-CB 3.36Å; S140-A143 PolarHBondContact O-N 2.87Å; S140-A143 VanDerWaalsContact O-N 3.07Å; S140-E172 VanDerWaalsContact CB-OE2 3.29Å; S140-E172 WeakPolarHBondContact CB-OE2 3.41Å; S140-E172 VanDerWaalsContact OG-CD 3.23Å; S140-E172 PolarHBondContact OG-OE1 2.9Å; S140-E172 VanDerWaalsContact OG-OE1 3.12Å; S140-E172 PolarHBondContact OG-OE2 3.14Å
141V88Confident84.5Confident0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-62.9-21.6179.2-171.30000113.2C104 L124 I128 M131 T139 A143 D144 L145C104-V141 HydrophobicContact CB-CG1 3.97Å; C104-V141 HydrophobicContact CB-CG2 3.77Å; L124-V141 HydrophobicContact CB-CG1 4.39Å; L124-V141 HydrophobicContact CD2-CG1 3.88Å; I128-V141 HydrophobicContact CD1-CG1 4.23Å; I128-V141 HydrophobicContact CG1-CB 4.01Å; I128-V141 HydrophobicContact CG1-CG1 3.81Å; M131-V141 HydrophobicContact SD-CG2 3.7Å; T139-V141 PolarHBondContact O-N 3.29Å; V141-A143 VanDerWaalsContact C-N 3.26Å; V141-A143 PolarHBondContact O-N 2.76Å; V141-D144 WeakPolarHBondContact O-CB 3.45Å; V141-D144 PolarHBondContact O-N 2.87Å; V141-L145 PolarHBondContact O-N 2.84Å
142H89.9Confident85Confident2 Ų229.7 Ų29.71%0.00916%0.161CC..Hα-helixtrans-62.7-35.2173.3-7387.5000112.3I128 Q137 L138 T139 S140 C146 F161 M166 Y184I128-H142 VanDerWaalsContact CG2-CE1 3.42Å; I128-H142 WeakPolarHBondContact CG2-CE1 3.25Å; I128-H142 VanDerWaalsContact CG2-NE2 3.35Å; I128-H142 WeakPolarHBondContact CG2-NE2 3.22Å; Q137-H142 PolarHBondContact O-CE1 2.85Å; L138-H142 HydrophobicContact CD1-CB 3.88Å; T139-H142 PolarHBondContact N-ND1 3.09Å; T139-H142 VanDerWaalsContact N-ND1 3.12Å; T139-H142 WeakPolarHBondContact O-CB 3.47Å; T139-H142 PolarHBondContact O-N 2.89Å; T139-H142 PolarHBondContact O-ND1 3.38Å; T139-H142 PolarHBondContact OG1-CE1 2.64Å; T139-H142 PolarHBondContact OG1-ND1 3.23Å; S140-H142 PolarHBondContact O-N 3.48Å; H142-C146 PolarHBondContact O-N 3.19Å; H142-C146 VanDerWaalsContact O-N 3.13Å; H142-C146 PolarHBondContact O-SG 3.29Å; H142-F161 AromaticContact NE2-CD1 3.91Å; H142-M166 WeakPolarHBondContact NE2-CE 3.43Å; H142-Y184 HydrophobicContact CB-CD2 3.58Å; H142-Y184 HydrophobicContact CB-CE2 3.71Å; H142-Y184 HydrophobicContact CB-CG 4.43Å
143A91.3Very high85.7Confident2 Ų236.7 Ų36.72%0.01719%0.191CC..Hα-helixtrans-64.9-43.8176.800000111S140 V141 C146 Q147 H180 C183S140-A143 WeakPolarHBondContact O-CB 3.36Å; S140-A143 PolarHBondContact O-N 2.87Å; S140-A143 VanDerWaalsContact O-N 3.07Å; V141-A143 VanDerWaalsContact C-N 3.26Å; V141-A143 PolarHBondContact O-N 2.76Å; A143-C146 PolarHBondContact O-N 3.01Å; A143-Q147 PolarHBondContact O-N 2.81Å; A143-H180 HydrophobicContact CB-CB 4.23Å; A143-H180 WeakPolarHBondContact CB-O 3.46Å; A143-C183 HydrophobicContact CB-CB 4.06Å
144D91.1Very high86.8Confident9 Ų934 Ų345%0.04818%0.182CC..Hα-helixtrans-62.9-44.4177.2-74.14.4000112.3H105 T108 L124 V141 C146 Q147 L148H105-D144 VanDerWaalsContact CA-OD2 3.25Å; H105-D144 WeakPolarHBondContact CA-OD2 3.46Å; H105-D144 IonicContact CE1-OD1 3.57Å; H105-D144 IonicContact CE1-OD2 3.61Å; H105-D144 IonicContact CG-OD2 2.71Å; H105-D144 PolarHBondContact N-OD2 3.01Å; H105-D144 IonicContact ND1-OD1 2.7Å; H105-D144 PolarHBondContact ND1-OD1 3.38Å; H105-D144 VanDerWaalsContact ND1-OD1 3.12Å; H105-D144 IonicContact ND1-OD2 3.15Å; H105-D144 PolarHBondContact ND1-OD2 3.2Å; T108-D144 HydrophobicContact CG2-CB 3.87Å; T108-D144 WeakPolarHBondContact OG1-CB 3.26Å; T108-D144 PolarHBondContact OG1-OD2 2.99Å; T108-D144 VanDerWaalsContact OG1-OD2 3.05Å; L124-D144 HydrophobicContact CD1-CB 3.8Å; V141-D144 WeakPolarHBondContact O-CB 3.45Å; V141-D144 PolarHBondContact O-N 2.87Å; D144-C146 VanDerWaalsContact C-N 3.28Å; D144-C146 PolarHBondContact O-N 3.05Å; D144-Q147 WeakPolarHBondContact O-CB 3.29Å; D144-Q147 PolarHBondContact O-N 2.72Å; D144-Q147 VanDerWaalsContact O-N 3.14Å; D144-L148 WeakPolarHBondContact O-CG 3.31Å; D144-L148 PolarHBondContact O-N 3.35Å
145L92Very high87.8Confident2 Ų231 Ų311%0.0116%0.164CC..Hα-helixtrans-56.5-46.6175.318071000110.5V121 L124 I128 V141 Q147 L148 C149 F161V121-L145 HydrophobicContact CB-CD1 4.49Å; V121-L145 HydrophobicContact CG1-CD1 3.9Å; V121-L145 WeakPolarHBondContact O-CD1 3.48Å; L124-L145 HydrophobicContact CB-CD1 4.01Å; I128-L145 HydrophobicContact CD1-CB 3.96Å; I128-L145 HydrophobicContact CD1-CD2 3.73Å; I128-L145 HydrophobicContact CD1-CG 4.37Å; V141-L145 PolarHBondContact O-N 2.84Å; L145-Q147 VanDerWaalsContact C-N 3.35Å; L145-L148 PolarHBondContact O-N 3.18Å; L145-C149 WeakPolarHBondContact O-CB 3.33Å; L145-C149 PolarHBondContact O-N 3.35Å; L145-C149 PolarHBondContact O-SG 2.96Å; L145-F161 HydrophobicContact CD2-CD2 3.62Å; L145-F161 HydrophobicContact CD2-CE2 4.04Å; L145-F161 HydrophobicContact CD2-CG 4.29Å
146C92.2Very high88.8Confident3 Ų334.8 Ų34.82%0.0217%0.172CC..Hα-helixtrans-63.4-41.2177.5-65.70000111.6H142 A143 D144 C149 L150 Y187 I191H142-C146 PolarHBondContact O-N 3.19Å; H142-C146 VanDerWaalsContact O-N 3.13Å; H142-C146 PolarHBondContact O-SG 3.29Å; A143-C146 PolarHBondContact O-N 3.01Å; D144-C146 VanDerWaalsContact C-N 3.28Å; D144-C146 PolarHBondContact O-N 3.05Å; C146-C149 PolarHBondContact O-N 3.09Å; C146-L150 VanDerWaalsContact O-CB 3.26Å; C146-L150 WeakPolarHBondContact O-CB 3.36Å; C146-L150 PolarHBondContact O-N 3.43Å; C146-Y187 HydrophobicContact CB-CD2 4.39Å; C146-I191 HydrophobicContact CB-CD1 3.95Å
147Q93.2Very high89.5Confident43 Ų4334.9 Ų34.920%0.20118%0.176CC..Hα-helixtrans-61.2-48.1177.1-168.9-173.62100111.9A143 D144 L145 L150 L151 Y187A143-Q147 PolarHBondContact O-N 2.81Å; D144-Q147 WeakPolarHBondContact O-CB 3.29Å; D144-Q147 PolarHBondContact O-N 2.72Å; D144-Q147 VanDerWaalsContact O-N 3.14Å; L145-Q147 VanDerWaalsContact C-N 3.35Å; Q147-L150 PolarHBondContact O-N 3.05Å; Q147-L151 HydrophobicContact CG-CD1 4.34Å; Q147-L151 WeakPolarHBondContact O-CG 3.35Å; Q147-L151 PolarHBondContact O-N 3.24Å; Q147-Y187 HydrophobicContact CB-CD2 3.98Å; Q147-Y187 HydrophobicContact CB-CE2 3.77Å; Q147-Y187 HydrophobicContact CG-CE2 3.97Å
148L91.7Very high89.8Confident0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-63.4-43.7177.9-67.6-170.2000111.6T108 L111 V112 P117 V121 L124 D144 L145 L150 L151 A152T108-L148 HydrophobicContact CG2-CD2 3.89Å; T108-L148 HydrophobicContact CG2-CG 4.07Å; L111-L148 HydrophobicContact CB-CD2 4.33Å; L111-L148 HydrophobicContact CD1-CD1 4.16Å; V112-L148 HydrophobicContact CG2-CD2 3.97Å; P117-L148 HydrophobicContact CB-CB 4.21Å; P117-L148 HydrophobicContact CB-CD2 3.72Å; V121-L148 HydrophobicContact CG2-CB 3.91Å; L124-L148 HydrophobicContact CD1-CD1 3.45Å; L124-L148 VanDerWaalsContact CD1-CD1 3.45Å; L124-L148 HydrophobicContact CD1-CG 4.15Å; L124-L148 HydrophobicContact CG-CD1 4.18Å; D144-L148 WeakPolarHBondContact O-CG 3.31Å; D144-L148 PolarHBondContact O-N 3.35Å; L145-L148 PolarHBondContact O-N 3.18Å; L148-L150 VanDerWaalsContact C-N 3.3Å; L148-L150 PolarHBondContact O-N 3.46Å; L148-L151 PolarHBondContact O-N 3.44Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.38Å; L148-A152 PolarHBondContact O-N 3.4Å
149C92.1Very high90Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-62.9-38.1177.8-69.10000112V121 L145 C146 K153 C154 A158V121-C149 VanDerWaalsContact CG1-SG 3.55Å; L145-C149 WeakPolarHBondContact O-CB 3.33Å; L145-C149 PolarHBondContact O-N 3.35Å; L145-C149 PolarHBondContact O-SG 2.96Å; C146-C149 PolarHBondContact O-N 3.09Å; C149-K153 PolarHBondContact O-N 3.43Å; C149-C154 WeakPolarHBondContact CB-O 3.34Å; C149-C154 PolarHBondContact O-N 2.98Å; C149-C154 VanDerWaalsContact O-N 3.09Å; C149-A158 HydrophobicContact CB-CB 4.26Å
150L91.9Very high90.1Very high41 Ų4137.8 Ų37.822%0.21520%0.195CC..Hα-helixtrans-66.3-43.6178.5-168.366.5000111.6C146 Q147 L148 K153 F155 Y187 M190 I191C146-L150 VanDerWaalsContact O-CB 3.26Å; C146-L150 WeakPolarHBondContact O-CB 3.36Å; C146-L150 PolarHBondContact O-N 3.43Å; Q147-L150 PolarHBondContact O-N 3.05Å; L148-L150 VanDerWaalsContact C-N 3.3Å; L148-L150 PolarHBondContact O-N 3.46Å; L150-K153 PolarHBondContact O-N 3.17Å; L150-F155 HydrophobicContact CD1-CE1 4.08Å; L150-Y187 HydrophobicContact CD2-CD1 3.93Å; L150-Y187 HydrophobicContact CD2-CG 4.45Å; L150-M190 HydrophobicContact CD1-CB 4.07Å; L150-M190 HydrophobicContact CD1-CE 4.37Å; L150-M190 HydrophobicContact CD2-CB 4.37Å; L150-M190 HydrophobicContact CD2-CE 3.88Å; L150-M190 HydrophobicContact CD2-SD 3.88Å; L150-I191 HydrophobicContact CD1-CG1 4.36Å
151L91.6Very high90.1Very high92 Ų9238.6 Ų38.648%0.48220%0.199SC..Hα-helixtrans-70.2-39.1177-69.4169.9000112.6V112 P117 Q147 L148 K153V112-L151 HydrophobicContact CB-CD1 4.28Å; V112-L151 HydrophobicContact CG1-CD1 3.9Å; V112-L151 HydrophobicContact CG2-CD1 3.52Å; P117-L151 HydrophobicContact CB-CB 4.28Å; P117-L151 HydrophobicContact CG-CB 3.98Å; Q147-L151 HydrophobicContact CG-CD1 4.34Å; Q147-L151 WeakPolarHBondContact O-CG 3.35Å; Q147-L151 PolarHBondContact O-N 3.24Å; L148-L151 PolarHBondContact O-N 3.44Å; L151-K153 PolarHBondContact O-N 3.14Å
152A89.4Confident90.1Very high30 Ų3038.6 Ų38.625%0.24820%0.199CC..Hα-helixtrans-72.9-10.217600000113.3P117 L118 L148 C154P117-A152 HydrophobicContact CB-CB 4.39Å; P117-A152 HydrophobicContact CG-CB 3.95Å; L118-A152 HydrophobicContact CB-CB 4.3Å; L118-A152 HydrophobicContact CD1-CB 4.17Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.38Å; L148-A152 PolarHBondContact O-N 3.4Å; A152-C154 HydrophobicContact CB-CB 4.43Å; A152-C154 PolarHBondContact O-N 2.77Å
153K90.8Very high89.9Confident176 Ų17643.9 Ų43.977%0.76522%0.224SC*.THydrogen-bonded Turntrans54.230.1-172.3-56.8-178.3178.6178.60113.3C149 L150 L151C149-K153 PolarHBondContact O-N 3.43Å; L150-K153 PolarHBondContact O-N 3.17Å; L151-K153 PolarHBondContact O-N 3.14Å
154C91.1Very high89.6Confident48 Ų4846.3 Ų46.332%0.32424%0.238SC..  trans-120.595.2-179.9-172.50000109.6L118 C149 A152L118-C154 HydrophobicContact CD1-CB 4.13Å; C149-C154 WeakPolarHBondContact CB-O 3.34Å; C149-C154 PolarHBondContact O-N 2.98Å; C149-C154 VanDerWaalsContact O-N 3.09Å; A152-C154 HydrophobicContact CB-CB 4.43Å; A152-C154 PolarHBondContact O-N 2.77Å
155F90.7Very high89.2Confident45 Ų4549.2 Ų49.220%0.19725%0.254CS..  trans-88-26.3-171.3-52.8-37.9000114.1L150 P157 A158 I191 L195L150-F155 HydrophobicContact CD1-CE1 4.08Å; F155-P157 VanDerWaalsContact C-CD 3.45Å; F155-A158 PolarHBondContact O-N 3.44Å; F155-A158 VanDerWaalsContact O-N 3.09Å; F155-I191 HydrophobicContact CB-CG2 3.87Å; F155-I191 HydrophobicContact CD1-CG1 4Å; F155-I191 HydrophobicContact CD1-CG2 4.28Å; F155-I191 HydrophobicContact CE1-CG1 4.46Å; F155-I191 HydrophobicContact CG-CG2 4.1Å; F155-L195 HydrophobicContact CB-CD1 4.15Å; F155-L195 HydrophobicContact CB-CD2 4.21Å; F155-L195 HydrophobicContact CB-CG 4.27Å; F155-L195 HydrophobicContact CD2-CD2 3.95Å; F155-L195 HydrophobicContact CD2-CG 4.05Å
156K88.3Confident88.6Confident166 Ų16650.1 Ų50.172%0.72226%0.258SS*.THydrogen-bonded Turntrans-55.1-40.5-173-164.8147.6-177.469.90115.4A158K156-A158 VanDerWaalsContact C-N 3.29Å; K156-A158 PolarHBondContact O-N 3.33Å
157P85.3Confident87.9Confident43 Ų4354.2 Ų54.228%0.27928%0.278SS..THydrogen-bonded Turntrans-71.4-19.2179.626.3-33.7000114.3V121 F155V121-P157 HydrophobicContact CG1-CB 3.92Å; V121-P157 HydrophobicContact CG1-CG 3.63Å; F155-P157 VanDerWaalsContact C-CD 3.45Å
158A87.5Confident87.2Confident1 Ų156.4 Ų56.41%0.00829%0.291CS..THydrogen-bonded Turntrans-86.7-20.7179.500000113.6C149 F155 K156 P160 F161 L162 I191C149-A158 HydrophobicContact CB-CB 4.26Å; F155-A158 PolarHBondContact O-N 3.44Å; F155-A158 VanDerWaalsContact O-N 3.09Å; K156-A158 VanDerWaalsContact C-N 3.29Å; K156-A158 PolarHBondContact O-N 3.33Å; A158-P160 VanDerWaalsContact C-CD 3.45Å; A158-F161 PolarHBondContact O-N 3.32Å; A158-F161 VanDerWaalsContact O-N 3.17Å; A158-L162 HydrophobicContact CB-CD1 4.14Å; A158-L162 PolarHBondContact O-N 3.42Å; A158-I191 HydrophobicContact CB-CD1 4.47Å
159L88.8Confident86.8Confident24 Ų2459.3 Ų59.313%0.12631%0.306CS..Hα-helixtrans-55.9-42.8-176-68.7170.3000114.5F161 L162 E163 Y192 L195L159-F161 PolarHBondContact O-N 2.95Å; L159-F161 VanDerWaalsContact O-N 3.12Å; L159-L162 PolarHBondContact O-N 3.08Å; L159-E163 WeakPolarHBondContact O-CB 3.18Å; L159-E163 WeakPolarHBondContact O-CG 3.45Å; L159-E163 PolarHBondContact O-N 3.4Å; L159-Y192 HydrophobicContact CD2-CE1 4.04Å; L159-L195 HydrophobicContact CD1-CD1 3.93Å; L159-L195 HydrophobicContact CD2-CD1 3.31Å; L159-L195 HydrophobicContact CG-CD1 4.03Å
160P89Confident86.2Confident66 Ų6660.3 Ų60.343%0.42931%0.313SS..Hα-helixtrans-58.7-29.9-179.4-25.435.8000113.7A158 V164A158-P160 VanDerWaalsContact C-CD 3.45Å; P160-V164 WeakPolarHBondContact O-CG2 3.24Å
161F86.1Confident85.1Confident17 Ų1765.9 Ų65.98%0.07534%0.335CS..Hα-helixtrans-83.5-33.4177.3-60-75.5000112.1K125 I128 H142 L145 A158 L159 M166 Y184K125-F161 HydrophobicContact CB-CE2 4.28Å; K125-F161 HydrophobicContact CD-CE2 3.94Å; K125-F161 HydrophobicContact CD-CZ 4.25Å; K125-F161 HydrophobicContact CG-CE2 3.71Å; K125-F161 HydrophobicContact CG-CZ 3.72Å; I128-F161 HydrophobicContact CB-CE1 4.45Å; I128-F161 HydrophobicContact CG2-CD1 4Å; I128-F161 HydrophobicContact CG2-CE1 3.7Å; I128-F161 HydrophobicContact CG2-CZ 4.44Å; H142-F161 AromaticContact NE2-CD1 3.91Å; L145-F161 HydrophobicContact CD2-CD2 3.62Å; L145-F161 HydrophobicContact CD2-CE2 4.04Å; L145-F161 HydrophobicContact CD2-CG 4.29Å; A158-F161 PolarHBondContact O-N 3.32Å; A158-F161 VanDerWaalsContact O-N 3.17Å; L159-F161 PolarHBondContact O-N 2.95Å; L159-F161 VanDerWaalsContact O-N 3.12Å; F161-M166 HydrophobicContact CB-CE 4.34Å; F161-M166 VanDerWaalsContact O-CE 3.22Å; F161-M166 WeakPolarHBondContact O-CE 3.47Å; F161-Y184 PolarHBondContact O-OH 2.9Å
162L87.6Confident83.9Confident0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-79.9-22.7-179.8-70.4170.1000113.6A158 L159 V164 Y184 I191 Y192 F204A158-L162 HydrophobicContact CB-CD1 4.14Å; A158-L162 PolarHBondContact O-N 3.42Å; L159-L162 PolarHBondContact O-N 3.08Å; L162-V164 VanDerWaalsContact C-N 3.34Å; L162-Y184 HydrophobicContact CD2-CE2 3.68Å; L162-I191 HydrophobicContact CD1-CB 4.18Å; L162-I191 HydrophobicContact CD1-CD1 3.86Å; L162-I191 HydrophobicContact CD1-CG2 3.85Å; L162-Y192 HydrophobicContact CB-CE2 3.84Å; L162-Y192 WeakPolarHBondContact CB-OH 3.33Å; L162-Y192 PolarHBondContact O-OH 3.13Å; L162-F204 HydrophobicContact CD2-CE1 3.63Å; L162-F204 HydrophobicContact CD2-CZ 4.07Å; L162-F204 WeakPolarHBondContact O-CZ 3.27Å
163E86.7Confident82.7Confident113 Ų11366 Ų6653%0.52833%0.332SS..SBendtrans-79.2-21.6179.4-76.5176.2-179.500112.2L159 Y192L159-E163 WeakPolarHBondContact O-CB 3.18Å; L159-E163 WeakPolarHBondContact O-CG 3.45Å; L159-E163 PolarHBondContact O-N 3.4Å; E163-Y192 WeakPolarHBondContact CA-OH 3.38Å; E163-Y192 PolarHBondContact N-OH 3.18Å
164V85.8Confident81.6Confident54 Ų5460.9 Ų60.933%0.32733%0.329SS..SBendtrans-84.5120.3176.7-179.40000109.6P160 L162 M166P160-V164 WeakPolarHBondContact O-CG2 3.24Å; L162-V164 VanDerWaalsContact C-N 3.34Å; V164-M166 HydrophobicContact CG1-CG 4.49Å; V164-M166 PolarHBondContact O-N 3.32Å
165D81.8Confident80.3Confident69 Ų6960.3 Ų60.337%0.36933%0.328SS..  trans-75.890.5173-66.7-51.1000109.5R200D165-R200 VanDerWaalsContact CG-NH1 3.34Å; D165-R200 IonicContact OD1-CZ 3.29Å; D165-R200 IonicContact OD1-NH1 2.72Å; D165-R200 PolarHBondContact OD1-NH1 3.46Å; D165-R200 IonicContact OD1-NH2 2.87Å; D165-R200 IonicContact OD2-CZ 2.82Å; D165-R200 IonicContact OD2-NH1 2.76Å; D165-R200 PolarHBondContact OD2-NH1 3.44Å; D165-R200 VanDerWaalsContact OD2-NH1 3.15Å; D165-R200 IonicContact OD2-NH2 2.85Å; D165-R200 PolarHBondContact OD2-NH2 2.85Å
166M79.6Confident79.7Confident21 Ų2160.1 Ų60.110%0.10333%0.326CS..  trans-67.3134.4179.1-63.7168.4-173.100110.9N136 L138 H142 F161 V164N136-M166 CarbonylContact O-C 3.19Å; N136-M166 WeakPolarHBondContact O-CA 3.47Å; N136-M166 WeakPolarHBondContact O-CB 3.44Å; L138-M166 HydrophobicContact CB-CB 4.17Å; L138-M166 HydrophobicContact CB-SD 3.92Å; L138-M166 HydrophobicContact CD1-SD 3.57Å; L138-M166 VanDerWaalsContact CD1-SD 3.57Å; L138-M166 HydrophobicContact CG-SD 4.37Å; H142-M166 WeakPolarHBondContact NE2-CE 3.43Å; F161-M166 HydrophobicContact CB-CE 4.34Å; F161-M166 VanDerWaalsContact O-CE 3.22Å; F161-M166 WeakPolarHBondContact O-CE 3.47Å; V164-M166 HydrophobicContact CG1-CG 4.49Å; V164-M166 PolarHBondContact O-N 3.32Å
167M76.3Confident79.5Confident90 Ų9055.3 Ų55.344%0.44331%0.308SS..  trans-105.9-30.6-172.7-62.5-171.7-6300113.3N136 K389 M393N136-M167 PolarHBondContact O-N 2.92Å; M167-K389 HydrophobicContact CE-CB 4.19Å; M167-K389 HydrophobicContact CE-CD 3.83Å; M167-K389 HydrophobicContact CE-CG 3.93Å; M167-K389 HydrophobicContact SD-CB 4.26Å; M167-K389 HydrophobicContact SD-CD 3.98Å; M167-K389 HydrophobicContact SD-CG 4.41Å; M167-M393 HydrophobicContact SD-SD 4.34Å
168D79.9Confident79.5Confident89 Ų8956 Ų5648%0.47632%0.318SS..EExtended strand (participates in β ladder)trans-113.7145.5-176.7-172.423.3000110.6N136 Q137 L138N136-D168 PolarHBondContact O-N 3.02Å; Q137-D168 CarbonylContact C-O 3.56Å; Q137-D168 WeakPolarHBondContact CA-O 3.09Å; Q137-D168 HydrophobicContact CG-CB 4.36Å; L138-D168 PolarHBondContact N-O 2.87Å
169I83.2Confident79.6Confident61 Ų6162 Ų6231%0.31334%0.344SS..EExtended strand (participates in β ladder)trans-104.6118.8178.2-59.8173.6000107.6K171 Y176 F181I169-K171 PolarHBondContact O-N 3.43Å; I169-Y176 HydrophobicContact CG2-CD1 3.82Å; I169-Y176 HydrophobicContact CG2-CD2 3.94Å; I169-Y176 HydrophobicContact CG2-CE1 3.56Å; I169-Y176 HydrophobicContact CG2-CE2 3.69Å; I169-Y176 HydrophobicContact CG2-CG 4.01Å; I169-Y176 VanDerWaalsContact CG2-CZ 3.49Å; I169-F181 HydrophobicContact CD1-CD2 3.8Å; I169-F181 HydrophobicContact CD1-CE2 3.79Å
170C78.2Confident79.6Confident20 Ų2062.8 Ų62.814%0.13535%0.347CS..  trans-66.7111.1174-170.10000108.6L138 T139 E172 Y176L138-C170 PolarHBondContact O-N 3.11Å; T139-C170 HydrophobicContact CG2-CB 3.91Å; C170-E172 HydrophobicContact CB-CG 4.45Å; C170-E172 PolarHBondContact O-N 2.88Å; C170-Y176 VanDerWaalsContact O-CD2 3.27Å; C170-Y176 WeakPolarHBondContact O-CD2 3.46Å
171K69.5Low79.7Confident159 Ų15961.2 Ų61.269%0.69133%0.333SS*.  trans-73.6-8.3-175.6-65.8-178.5-177.91730114I169 N173 G174 A175I169-K171 PolarHBondContact O-N 3.43Å; K171-N173 VanDerWaalsContact C-N 3.33Å; K171-N173 PolarHBondContact O-N 2.84Å; K171-G174 WeakPolarHBondContact O-CA 3.49Å; K171-G174 PolarHBondContact O-N 3.14Å; K171-A175 PolarHBondContact O-N 3.5Å
172E66.9Low80Confident3 Ų361 Ų611%0.01433%0.333CS..G310 helixtrans46.250.3176.6-58.6-175.215100113.5T97 A101 M131 S140 C170 G174 A175T97-E172 VanDerWaalsContact OG1-CA 3.27Å; T97-E172 WeakPolarHBondContact OG1-CA 3.4Å; A101-E172 WeakPolarHBondContact CB-OE2 3.23Å; M131-E172 HydrophobicContact CE-CG 4.45Å; M131-E172 WeakPolarHBondContact CE-OE1 3.46Å; S140-E172 VanDerWaalsContact CB-OE2 3.29Å; S140-E172 WeakPolarHBondContact CB-OE2 3.41Å; S140-E172 VanDerWaalsContact OG-CD 3.23Å; S140-E172 PolarHBondContact OG-OE1 2.9Å; S140-E172 VanDerWaalsContact OG-OE1 3.12Å; S140-E172 PolarHBondContact OG-OE2 3.14Å; C170-E172 HydrophobicContact CB-CG 4.45Å; C170-E172 PolarHBondContact O-N 2.88Å; E172-G174 PolarHBondContact O-N 3.48Å; E172-A175 HydrophobicContact CB-CB 4.21Å; E172-A175 VanDerWaalsContact O-CB 3.31Å; E172-A175 WeakPolarHBondContact O-CB 3.36Å; E172-A175 PolarHBondContact O-N 2.94Å
173N64.8Low80.3Confident120 Ų12062 Ų6264%0.64234%0.339SS*.G310 helixtrans54.222.3-175.3-62.3-24.7000115.4Y95 K171Y95-N173 PolarHBondContact O-ND2 3.24Å; Y95-N173 VanDerWaalsContact O-ND2 3.14Å; K171-N173 VanDerWaalsContact C-N 3.33Å; K171-N173 PolarHBondContact O-N 2.84Å
174G67.1Low80.6Confident69 Ų6956.8 Ų56.871%0.71132%0.315SS*.G310 helixtrans102.5-1.5-179.100000114.9K171 E172 Y176K171-G174 WeakPolarHBondContact O-CA 3.49Å; K171-G174 PolarHBondContact O-N 3.14Å; E172-G174 PolarHBondContact O-N 3.48Å; G174-Y176 VanDerWaalsContact C-N 3.28Å; G174-Y176 PolarHBondContact O-N 3.41Å
175A64.3Low81Confident36 Ų3655.1 Ų55.130%0.29830%0.303SS..THydrogen-bonded Turntrans-79.5-5.3-178.700000114.6D98 K171 E172 D177D98-A175 HydrophobicContact CB-CB 3.98Å; D98-A175 WeakPolarHBondContact OD1-CB 3.23Å; K171-A175 PolarHBondContact O-N 3.5Å; E172-A175 HydrophobicContact CB-CB 4.21Å; E172-A175 VanDerWaalsContact O-CB 3.31Å; E172-A175 WeakPolarHBondContact O-CB 3.36Å; E172-A175 PolarHBondContact O-N 2.94Å; A175-D177 PolarHBondContact O-N 3.22Å; A175-D177 VanDerWaalsContact O-N 3.08Å
176Y77.1Confident81.7Confident42 Ų4253.1 Ų53.117%0.16529%0.29CS..  trans-73.6102.5-176.8-164.6-85.6000112.3I169 C170 G174 F181I169-Y176 HydrophobicContact CG2-CD1 3.82Å; I169-Y176 HydrophobicContact CG2-CD2 3.94Å; I169-Y176 HydrophobicContact CG2-CE1 3.56Å; I169-Y176 HydrophobicContact CG2-CE2 3.69Å; I169-Y176 HydrophobicContact CG2-CG 4.01Å; I169-Y176 VanDerWaalsContact CG2-CZ 3.49Å; C170-Y176 VanDerWaalsContact O-CD2 3.27Å; C170-Y176 WeakPolarHBondContact O-CD2 3.46Å; G174-Y176 VanDerWaalsContact C-N 3.28Å; G174-Y176 PolarHBondContact O-N 3.41Å; Y176-F181 HydrophobicContact CE1-CB 4.01Å
177D83.4Confident82.5Confident64 Ų6454.3 Ų54.334%0.34229%0.294SS..  trans-76.8138.9171.4-169.58.6000111.5A175 K179 H180A175-D177 PolarHBondContact O-N 3.22Å; A175-D177 VanDerWaalsContact O-N 3.08Å; D177-K179 PolarHBondContact O-N 3.21Å; D177-K179 VanDerWaalsContact O-N 3.12Å; D177-K179 PolarHBondContact OD1-N 2.97Å; D177-K179 WeakPolarHBondContact OD2-CB 3.34Å; D177-K179 VanDerWaalsContact OD2-CD 3.24Å; D177-K179 WeakPolarHBondContact OD2-CD 3.46Å; D177-K179 WeakPolarHBondContact OD2-CG 3.45Å; D177-K179 IonicContact OD2-NZ 2.69Å; D177-H180 PolarHBondContact O-N 2.88Å
178A86.6Confident83.3Confident58 Ų5850 Ų5048%0.47927%0.273SS..Hα-helixtrans-59.2-23.9175.200000112.5H180 F181 L182A178-H180 VanDerWaalsContact C-N 3.31Å; A178-H180 PolarHBondContact O-N 3.33Å; A178-F181 WeakPolarHBondContact O-CB 3.42Å; A178-F181 PolarHBondContact O-N 3.37Å; A178-L182 WeakPolarHBondContact O-CG 3.43Å; A178-L182 PolarHBondContact O-N 2.93Å; A178-L182 VanDerWaalsContact O-N 3.09Å
179K88.5Confident84.1Confident128 Ų12845.8 Ų45.856%0.55725%0.25SS*.Hα-helixtrans-62.1-36.8173.8-64.7-178.9-161.4146.50112.6D177 F181 L182 C183D177-K179 PolarHBondContact O-N 3.21Å; D177-K179 VanDerWaalsContact O-N 3.12Å; D177-K179 PolarHBondContact OD1-N 2.97Å; D177-K179 WeakPolarHBondContact OD2-CB 3.34Å; D177-K179 VanDerWaalsContact OD2-CD 3.24Å; D177-K179 WeakPolarHBondContact OD2-CD 3.46Å; D177-K179 WeakPolarHBondContact OD2-CG 3.45Å; D177-K179 IonicContact OD2-NZ 2.69Å; K179-F181 VanDerWaalsContact C-N 3.33Å; K179-F181 PolarHBondContact O-N 3.32Å; K179-L182 PolarHBondContact O-N 3.22Å; K179-C183 VanDerWaalsContact O-CB 3.3Å; K179-C183 WeakPolarHBondContact O-CB 3.43Å; K179-C183 PolarHBondContact O-N 3.02Å; K179-C183 PolarHBondContact O-SG 3.37Å; K179-C183 VanDerWaalsContact O-SG 3.32Å
180H89.6Confident84.6Confident39 Ų3945.3 Ų45.318%0.18125%0.247CC..Hα-helixtrans-65.9-39.6179-58.1117.3000110.9H105 A143 D177 A178 C183 Y184H105-H180 AromaticContact CE1-CD2 3.67Å; H105-H180 AromaticContact CE1-CE1 3.98Å; H105-H180 AromaticContact CE1-NE2 3.54Å; H105-H180 AromaticContact ND1-NE2 3.99Å; H105-H180 AromaticContact NE2-CE1 3.69Å; H105-H180 AromaticContact NE2-NE2 3.67Å; A143-H180 HydrophobicContact CB-CB 4.23Å; A143-H180 WeakPolarHBondContact CB-O 3.46Å; D177-H180 PolarHBondContact O-N 2.88Å; A178-H180 VanDerWaalsContact C-N 3.31Å; A178-H180 PolarHBondContact O-N 3.33Å; H180-C183 PolarHBondContact O-N 3.48Å; H180-Y184 WeakPolarHBondContact O-CB 3.45Å; H180-Y184 PolarHBondContact O-N 2.94Å
181F91Very high85.4Confident33 Ų3344.3 Ų44.315%0.14524%0.241CC..Hα-helixtrans-58.4-51.4171.6-174.8-87000111.5L138 I169 Y176 A178 K179 C183 Y184 Y185 T211L138-F181 HydrophobicContact CD2-CD2 3.71Å; L138-F181 HydrophobicContact CD2-CE2 4.02Å; I169-F181 HydrophobicContact CD1-CD2 3.8Å; I169-F181 HydrophobicContact CD1-CE2 3.79Å; Y176-F181 HydrophobicContact CE1-CB 4.01Å; A178-F181 WeakPolarHBondContact O-CB 3.42Å; A178-F181 PolarHBondContact O-N 3.37Å; K179-F181 VanDerWaalsContact C-N 3.33Å; K179-F181 PolarHBondContact O-N 3.32Å; F181-C183 VanDerWaalsContact C-N 3.34Å; F181-C183 PolarHBondContact O-N 3.21Å; F181-Y184 PolarHBondContact O-N 2.8Å; F181-Y185 AromaticContact CD1-CD2 3.9Å; F181-Y185 HydrophobicContact CD1-CD2 3.9Å; F181-Y185 HydrophobicContact CD1-CE2 4.24Å; F181-Y185 HydrophobicContact CD2-CD2 4.26Å; F181-Y185 AromaticContact CD2-CE2 3.9Å; F181-Y185 HydrophobicContact CD2-CE2 3.9Å; F181-Y185 AromaticContact CE1-CD2 3.57Å; F181-Y185 HydrophobicContact CE1-CD2 3.57Å; F181-Y185 AromaticContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE2-CD2 4Å; F181-Y185 AromaticContact CE2-CE2 3.34Å; F181-Y185 HydrophobicContact CE2-CE2 3.34Å; F181-Y185 HydrophobicContact CG-CD2 4.22Å; F181-Y185 HydrophobicContact CG-CE2 4.33Å; F181-Y185 AromaticContact CZ-CD2 3.64Å; F181-Y185 HydrophobicContact CZ-CD2 3.64Å; F181-Y185 AromaticContact CZ-CE2 3.2Å; F181-Y185 HydrophobicContact CZ-CE2 3.2Å; F181-Y185 WeakPolarHBondContact O-CD2 3.45Å; F181-Y185 PolarHBondContact O-N 2.9Å; F181-Y185 VanDerWaalsContact O-N 3.12Å; F181-T211 HydrophobicContact CD1-CG2 4.28Å; F181-T211 HydrophobicContact CE1-CG2 4.43Å; F181-T211 VanDerWaalsContact CE1-OG1 3.26Å; F181-T211 WeakPolarHBondContact CE1-OG1 3.37Å
182L92.6Very high86.7Confident13 Ų1336.9 Ų36.97%0.06821%0.208CC..Hα-helixtrans-60.4-43.3178.8-70.5172000111.9A178 K179 Y186 A208 T211 I219 M220A178-L182 WeakPolarHBondContact O-CG 3.43Å; A178-L182 PolarHBondContact O-N 2.93Å; A178-L182 VanDerWaalsContact O-N 3.09Å; K179-L182 PolarHBondContact O-N 3.22Å; L182-Y186 WeakPolarHBondContact O-CB 3.27Å; L182-Y186 PolarHBondContact O-N 3.33Å; L182-A208 VanDerWaalsContact CD2-O 3.28Å; L182-A208 WeakPolarHBondContact CD2-O 3.24Å; L182-T211 HydrophobicContact CD2-CG2 4.14Å; L182-I219 HydrophobicContact CB-CB 4.31Å; L182-I219 HydrophobicContact CB-CD1 4.11Å; L182-I219 HydrophobicContact CB-CG2 3.88Å; L182-M220 HydrophobicContact CD1-CG 4.26Å; L182-M220 HydrophobicContact CD2-CG 3.74Å; L182-M220 HydrophobicContact CD2-SD 4.43Å
183C93.3Very high88Confident20 Ų2037.3 Ų37.314%0.13521%0.211CC..Hα-helixtrans-64.4-43.2177.4-77.30000111.9A143 K179 H180 F181 Y186 Y187A143-C183 HydrophobicContact CB-CB 4.06Å; K179-C183 VanDerWaalsContact O-CB 3.3Å; K179-C183 WeakPolarHBondContact O-CB 3.43Å; K179-C183 PolarHBondContact O-N 3.02Å; K179-C183 PolarHBondContact O-SG 3.37Å; K179-C183 VanDerWaalsContact O-SG 3.32Å; H180-C183 PolarHBondContact O-N 3.48Å; F181-C183 VanDerWaalsContact C-N 3.34Å; F181-C183 PolarHBondContact O-N 3.21Å; C183-Y186 PolarHBondContact O-N 2.93Å; C183-Y187 HydrophobicContact CB-CD2 4.01Å; C183-Y187 HydrophobicContact CB-CE2 3.64Å; C183-Y187 WeakPolarHBondContact O-CB 3.41Å; C183-Y187 WeakPolarHBondContact O-CD2 3.5Å; C183-Y187 PolarHBondContact O-N 3.49Å
184Y93.5Very high89.3Confident4 Ų433.9 Ų33.92%0.01620%0.204CC..Hα-helixtrans-57.3-53.8176.9172.5-107.2000111.4L138 H142 F161 L162 H180 F181 Y186 G188 F204L138-Y184 HydrophobicContact CD1-CD1 3.53Å; L138-Y184 HydrophobicContact CD1-CD2 4.04Å; L138-Y184 HydrophobicContact CD1-CE1 3.48Å; L138-Y184 VanDerWaalsContact CD1-CE1 3.48Å; L138-Y184 HydrophobicContact CD1-CE2 4Å; L138-Y184 HydrophobicContact CD1-CG 3.79Å; L138-Y184 HydrophobicContact CD2-CD1 3.98Å; L138-Y184 HydrophobicContact CD2-CE1 4.32Å; L138-Y184 HydrophobicContact CG-CD1 4.42Å; H142-Y184 HydrophobicContact CB-CD2 3.58Å; H142-Y184 HydrophobicContact CB-CE2 3.71Å; H142-Y184 HydrophobicContact CB-CG 4.43Å; F161-Y184 PolarHBondContact O-OH 2.9Å; L162-Y184 HydrophobicContact CD2-CE2 3.68Å; H180-Y184 WeakPolarHBondContact O-CB 3.45Å; H180-Y184 PolarHBondContact O-N 2.94Å; F181-Y184 PolarHBondContact O-N 2.8Å; Y184-Y186 PolarHBondContact O-N 2.77Å; Y184-G188 WeakPolarHBondContact O-CA 3.47Å; Y184-G188 PolarHBondContact O-N 3.45Å; Y184-F204 HydrophobicContact CE1-CE1 4.11Å
185Y94.7Very high90.6Very high20 Ų2034.3 Ų34.38%0.07819%0.19CC..Hα-helixtrans-67.9-38.1-179.3-80.4-77.4000112.6L138 F181 G189 F204 Q207L138-Y185 HydrophobicContact CD2-CE2 4.14Å; F181-Y185 AromaticContact CD1-CD2 3.9Å; F181-Y185 HydrophobicContact CD1-CD2 3.9Å; F181-Y185 HydrophobicContact CD1-CE2 4.24Å; F181-Y185 HydrophobicContact CD2-CD2 4.26Å; F181-Y185 AromaticContact CD2-CE2 3.9Å; F181-Y185 HydrophobicContact CD2-CE2 3.9Å; F181-Y185 AromaticContact CE1-CD2 3.57Å; F181-Y185 HydrophobicContact CE1-CD2 3.57Å; F181-Y185 AromaticContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE2-CD2 4Å; F181-Y185 AromaticContact CE2-CE2 3.34Å; F181-Y185 HydrophobicContact CE2-CE2 3.34Å; F181-Y185 HydrophobicContact CG-CD2 4.22Å; F181-Y185 HydrophobicContact CG-CE2 4.33Å; F181-Y185 AromaticContact CZ-CD2 3.64Å; F181-Y185 HydrophobicContact CZ-CD2 3.64Å; F181-Y185 AromaticContact CZ-CE2 3.2Å; F181-Y185 HydrophobicContact CZ-CE2 3.2Å; F181-Y185 WeakPolarHBondContact O-CD2 3.45Å; F181-Y185 PolarHBondContact O-N 2.9Å; F181-Y185 VanDerWaalsContact O-N 3.12Å; Y185-G189 PolarHBondContact O-N 3.43Å; Y185-F204 HydrophobicContact CD1-CB 4.45Å; Y185-F204 AromaticContact CD1-CD1 3.71Å; Y185-F204 HydrophobicContact CD1-CD1 3.71Å; Y185-F204 HydrophobicContact CD1-CE1 4.07Å; Y185-F204 HydrophobicContact CD1-CG 4.12Å; Y185-F204 HydrophobicContact CE1-CD1 4.37Å; Y185-F204 HydrophobicContact CE1-CE1 4.35Å; Y185-Q207 HydrophobicContact CD1-CB 3.57Å; Y185-Q207 HydrophobicContact CD1-CG 4.25Å; Y185-Q207 HydrophobicContact CE1-CB 3.63Å; Y185-Q207 HydrophobicContact CE1-CG 3.9Å; Y185-Q207 HydrophobicContact CG-CB 4.07Å
186Y95.9Very high91.9Very high27 Ų2739.7 Ų39.711%0.10621%0.206CC..Hα-helixtrans-66.8-48.7177.1175.9-112.1000112.5L182 C183 Y184 G189 M190 Y205 I219 E222 A223 K226L182-Y186 WeakPolarHBondContact O-CB 3.27Å; L182-Y186 PolarHBondContact O-N 3.33Å; C183-Y186 PolarHBondContact O-N 2.93Å; Y184-Y186 PolarHBondContact O-N 2.77Å; Y186-G189 PolarHBondContact O-N 3.37Å; Y186-M190 HydrophobicContact CD1-SD 4.24Å; Y186-M190 HydrophobicContact CE1-SD 3.53Å; Y186-M190 VanDerWaalsContact CE1-SD 3.53Å; Y186-M190 HydrophobicContact CE2-CG 4.42Å; Y186-M190 HydrophobicContact CE2-SD 4.23Å; Y186-M190 VanDerWaalsContact CZ-SD 3.51Å; Y186-M190 WeakPolarHBondContact O-CG 3.43Å; Y186-M190 PolarHBondContact O-N 3.09Å; Y186-Y205 HydrophobicContact CD2-CD1 4.33Å; Y186-Y205 HydrophobicContact CD2-CE1 4.01Å; Y186-Y205 HydrophobicContact CE2-CE1 4.31Å; Y186-I219 HydrophobicContact CD1-CG2 4.09Å; Y186-I219 HydrophobicContact CG-CG2 3.87Å; Y186-E222 HydrophobicContact CE2-CB 3.71Å; Y186-A223 HydrophobicContact CD2-CB 3.81Å; Y186-A223 HydrophobicContact CE2-CB 4.46Å; Y186-K226 HydrophobicContact CE2-CD 3.98Å; Y186-K226 PolarHBondContact OH-NZ 3.43Å
187Y95.4Very high92.8Very high45 Ų4540.9 Ų40.918%0.17622%0.215CC..Hα-helixtrans-69-39.2178.3-60.5-29.8000111.7C146 Q147 L150 C183 G189 M190 I191C146-Y187 HydrophobicContact CB-CD2 4.39Å; Q147-Y187 HydrophobicContact CB-CD2 3.98Å; Q147-Y187 HydrophobicContact CB-CE2 3.77Å; Q147-Y187 HydrophobicContact CG-CE2 3.97Å; L150-Y187 HydrophobicContact CD2-CD1 3.93Å; L150-Y187 HydrophobicContact CD2-CG 4.45Å; C183-Y187 HydrophobicContact CB-CD2 4.01Å; C183-Y187 HydrophobicContact CB-CE2 3.64Å; C183-Y187 WeakPolarHBondContact O-CB 3.41Å; C183-Y187 WeakPolarHBondContact O-CD2 3.5Å; C183-Y187 PolarHBondContact O-N 3.49Å; Y187-G189 VanDerWaalsContact C-N 3.33Å; Y187-G189 PolarHBondContact O-N 3.38Å; Y187-M190 HydrophobicContact CD1-SD 4.5Å; Y187-M190 WeakPolarHBondContact O-CB 3.28Å; Y187-M190 PolarHBondContact O-N 3.2Å; Y187-M190 VanDerWaalsContact O-N 3.14Å; Y187-I191 VanDerWaalsContact O-CG1 3.31Å; Y187-I191 WeakPolarHBondContact O-CG1 3.25Å; Y187-I191 PolarHBondContact O-N 2.88Å
188G94.3Very high93.3Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-58.1-44.617100000111.8Y184 M190 I191 Y192Y184-G188 WeakPolarHBondContact O-CA 3.47Å; Y184-G188 PolarHBondContact O-N 3.45Å; G188-M190 VanDerWaalsContact C-N 3.34Å; G188-M190 PolarHBondContact O-N 3.09Å; G188-I191 PolarHBondContact O-N 3.39Å; G188-Y192 VanDerWaalsContact O-CD2 3.27Å; G188-Y192 WeakPolarHBondContact O-CD2 3.42Å; G188-Y192 PolarHBondContact O-N 3.07Å
189G95.5Very high93.6Very high0 Ų043.8 Ų43.80%022%0.217CC..Hα-helixtrans-57.9-43.2172.100000112.6Y185 Y186 Y187 Y192 T193 Y205Y185-G189 PolarHBondContact O-N 3.43Å; Y186-G189 PolarHBondContact O-N 3.37Å; Y187-G189 VanDerWaalsContact C-N 3.33Å; Y187-G189 PolarHBondContact O-N 3.38Å; G189-Y192 PolarHBondContact O-N 3.26Å; G189-T193 WeakPolarHBondContact O-CB 3.46Å; G189-T193 PolarHBondContact O-N 2.99Å; G189-T193 PolarHBondContact O-OG1 3.36Å; G189-Y205 VanDerWaalsContact C-CZ 3.44Å; G189-Y205 PolarHBondContact O-OH 2.79Å
190M95Very high93.9Very high51 Ų5141.2 Ų41.225%0.25120%0.203SC..Hα-helixtrans-65.7-39.9176-71-1776900112.7L150 Y186 Y187 G188 T193 G194 Y205 K226L150-M190 HydrophobicContact CD1-CB 4.07Å; L150-M190 HydrophobicContact CD1-CE 4.37Å; L150-M190 HydrophobicContact CD2-CB 4.37Å; L150-M190 HydrophobicContact CD2-CE 3.88Å; L150-M190 HydrophobicContact CD2-SD 3.88Å; Y186-M190 HydrophobicContact CD1-SD 4.24Å; Y186-M190 HydrophobicContact CE1-SD 3.53Å; Y186-M190 VanDerWaalsContact CE1-SD 3.53Å; Y186-M190 HydrophobicContact CE2-CG 4.42Å; Y186-M190 HydrophobicContact CE2-SD 4.23Å; Y186-M190 VanDerWaalsContact CZ-SD 3.51Å; Y186-M190 WeakPolarHBondContact O-CG 3.43Å; Y186-M190 PolarHBondContact O-N 3.09Å; Y187-M190 HydrophobicContact CD1-SD 4.5Å; Y187-M190 WeakPolarHBondContact O-CB 3.28Å; Y187-M190 PolarHBondContact O-N 3.2Å; Y187-M190 VanDerWaalsContact O-N 3.14Å; G188-M190 VanDerWaalsContact C-N 3.34Å; G188-M190 PolarHBondContact O-N 3.09Å; M190-T193 PolarHBondContact O-N 3.41Å; M190-G194 PolarHBondContact O-N 3.25Å; M190-Y205 WeakPolarHBondContact CA-OH 3.3Å; M190-Y205 PolarHBondContact N-OH 2.88Å; M190-K226 HydrophobicContact CG-CD 4.17Å
191I95.1Very high94.2Very high0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-61.2-50.8176.2-72.7165.5000110C146 L150 F155 A158 L162 Y187 G188 T193 G194 L195C146-I191 HydrophobicContact CB-CD1 3.95Å; L150-I191 HydrophobicContact CD1-CG1 4.36Å; F155-I191 HydrophobicContact CB-CG2 3.87Å; F155-I191 HydrophobicContact CD1-CG1 4Å; F155-I191 HydrophobicContact CD1-CG2 4.28Å; F155-I191 HydrophobicContact CE1-CG1 4.46Å; F155-I191 HydrophobicContact CG-CG2 4.1Å; A158-I191 HydrophobicContact CB-CD1 4.47Å; L162-I191 HydrophobicContact CD1-CB 4.18Å; L162-I191 HydrophobicContact CD1-CD1 3.86Å; L162-I191 HydrophobicContact CD1-CG2 3.85Å; Y187-I191 VanDerWaalsContact O-CG1 3.31Å; Y187-I191 WeakPolarHBondContact O-CG1 3.25Å; Y187-I191 PolarHBondContact O-N 2.88Å; G188-I191 PolarHBondContact O-N 3.39Å; I191-T193 VanDerWaalsContact C-N 3.31Å; I191-T193 PolarHBondContact O-N 3.31Å; I191-G194 PolarHBondContact O-N 2.92Å; I191-G194 VanDerWaalsContact O-N 3.12Å; I191-L195 HydrophobicContact CG2-CD1 4.11Å; I191-L195 WeakPolarHBondContact O-CG 3.25Å; I191-L195 PolarHBondContact O-N 3.33Å
192Y95.6Very high94.4Very high2 Ų238.2 Ų38.21%0.00819%0.19CC..Hα-helixtrans-63.5-37.3177.2-78.6-58.2000112.6L159 L162 E163 G188 G189 G194 L195 K196 N197 R200 F204L159-Y192 HydrophobicContact CD2-CE1 4.04Å; L162-Y192 HydrophobicContact CB-CE2 3.84Å; L162-Y192 WeakPolarHBondContact CB-OH 3.33Å; L162-Y192 PolarHBondContact O-OH 3.13Å; E163-Y192 WeakPolarHBondContact CA-OH 3.38Å; E163-Y192 PolarHBondContact N-OH 3.18Å; G188-Y192 VanDerWaalsContact O-CD2 3.27Å; G188-Y192 WeakPolarHBondContact O-CD2 3.42Å; G188-Y192 PolarHBondContact O-N 3.07Å; G189-Y192 PolarHBondContact O-N 3.26Å; Y192-G194 VanDerWaalsContact C-N 3.32Å; Y192-G194 PolarHBondContact O-N 3.16Å; Y192-L195 CarbonylContact O-C 3.45Å; Y192-L195 PolarHBondContact O-N 3.18Å; Y192-K196 PolarHBondContact O-N 3.42Å; Y192-K196 VanDerWaalsContact O-N 3.15Å; Y192-N197 HydrophobicContact CD1-CB 3.98Å; Y192-N197 PolarHBondContact O-N 2.96Å; Y192-R200 HydrophobicContact CD1-CB 3.93Å; Y192-R200 HydrophobicContact CD2-CB 3.93Å; Y192-R200 HydrophobicContact CE1-CB 4Å; Y192-R200 HydrophobicContact CE1-CG 4.41Å; Y192-R200 HydrophobicContact CE2-CB 4Å; Y192-R200 HydrophobicContact CG-CB 3.88Å; Y192-F204 AromaticContact CD2-CD2 3.98Å; Y192-F204 HydrophobicContact CD2-CD2 3.98Å; Y192-F204 HydrophobicContact CD2-CE2 4.11Å; Y192-F204 HydrophobicContact CD2-CG 4.27Å; Y192-F204 HydrophobicContact CD2-CZ 4.49Å; Y192-F204 AromaticContact CE2-CD2 3.87Å; Y192-F204 HydrophobicContact CE2-CD2 3.87Å; Y192-F204 HydrophobicContact CE2-CE1 4.31Å; Y192-F204 AromaticContact CE2-CE2 3.51Å; Y192-F204 HydrophobicContact CE2-CE2 3.51Å; Y192-F204 HydrophobicContact CE2-CG 4.43Å; Y192-F204 AromaticContact CE2-CZ 3.76Å; Y192-F204 HydrophobicContact CE2-CZ 3.76Å
193T95Very high94.5Very high12 Ų1241.4 Ų41.47%0.07420%0.202CC..Hα-helixtrans-61.9-42173.3-53.90000110.9G189 M190 I191 L195 K196 F198 A201 Y205 V230 L294G189-T193 WeakPolarHBondContact O-CB 3.46Å; G189-T193 PolarHBondContact O-N 2.99Å; G189-T193 PolarHBondContact O-OG1 3.36Å; M190-T193 PolarHBondContact O-N 3.41Å; I191-T193 VanDerWaalsContact C-N 3.31Å; I191-T193 PolarHBondContact O-N 3.31Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 3.26Å; T193-K196 PolarHBondContact O-N 3.01Å; T193-K196 VanDerWaalsContact O-N 3.12Å; T193-F198 HydrophobicContact CG2-CE1 4.39Å; T193-A201 WeakPolarHBondContact OG1-CB 3.5Å; T193-Y205 WeakPolarHBondContact OG1-CE2 3.47Å; T193-Y205 PolarHBondContact OG1-OH 3.14Å; T193-V230 HydrophobicContact CG2-CG2 4.22Å; T193-L294 HydrophobicContact CG2-CD1 4.12Å; T193-L294 HydrophobicContact CG2-CD2 3.43Å; T193-L294 VanDerWaalsContact CG2-CD2 3.43Å; T193-L294 HydrophobicContact CG2-CG 4.41Å
194G92.5Very high94.6Very high48 Ų4840.7 Ų40.750%0.49520%0.196SC..Hα-helixtrans-65.2-32.6176.600000113.4M190 I191 Y192 K196M190-G194 PolarHBondContact O-N 3.25Å; I191-G194 PolarHBondContact O-N 2.92Å; I191-G194 VanDerWaalsContact O-N 3.12Å; Y192-G194 VanDerWaalsContact C-N 3.32Å; Y192-G194 PolarHBondContact O-N 3.16Å; G194-K196 VanDerWaalsContact C-N 3.26Å; G194-K196 PolarHBondContact O-N 2.92Å
195L92.9Very high94.7Very high78 Ų7840.5 Ų40.541%0.40820%0.196SC..THydrogen-bonded Turntrans-82.81.8174.3-66.3171.3000113.6F155 L159 I191 Y192 T193 N197F155-L195 HydrophobicContact CB-CD1 4.15Å; F155-L195 HydrophobicContact CB-CD2 4.21Å; F155-L195 HydrophobicContact CB-CG 4.27Å; F155-L195 HydrophobicContact CD2-CD2 3.95Å; F155-L195 HydrophobicContact CD2-CG 4.05Å; L159-L195 HydrophobicContact CD1-CD1 3.93Å; L159-L195 HydrophobicContact CD2-CD1 3.31Å; L159-L195 HydrophobicContact CG-CD1 4.03Å; I191-L195 HydrophobicContact CG2-CD1 4.11Å; I191-L195 WeakPolarHBondContact O-CG 3.25Å; I191-L195 PolarHBondContact O-N 3.33Å; Y192-L195 CarbonylContact O-C 3.45Å; Y192-L195 PolarHBondContact O-N 3.18Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 3.26Å; L195-N197 PolarHBondContact O-N 2.96Å
196K92.7Very high94.7Very high149 Ų14941.5 Ų41.565%0.64820%0.201SC*.THydrogen-bonded Turntrans57.719.4-173.2-57-177.8178.7-179.60114.5Y192 T193 G194 F198Y192-K196 PolarHBondContact O-N 3.42Å; Y192-K196 VanDerWaalsContact O-N 3.15Å; T193-K196 PolarHBondContact O-N 3.01Å; T193-K196 VanDerWaalsContact O-N 3.12Å; G194-K196 VanDerWaalsContact C-N 3.26Å; G194-K196 PolarHBondContact O-N 2.92Å; K196-F198 VanDerWaalsContact C-N 3.28Å; K196-F198 HydrophobicContact CB-CE2 4Å; K196-F198 HydrophobicContact CB-CZ 4.18Å; K196-F198 HydrophobicContact CG-CZ 4.32Å; K196-F198 WeakPolarHBondContact O-CD2 3.35Å; K196-F198 PolarHBondContact O-N 3.39Å; K196-F198 VanDerWaalsContact O-N 3.1Å
197N94.8Very high94.5Very high67 Ų6742 Ų4236%0.35821%0.205SC..  trans-84.877.7168.8-171.5-20.7000108.7Y192 L195 E199 R200 A201Y192-N197 HydrophobicContact CD1-CB 3.98Å; Y192-N197 PolarHBondContact O-N 2.96Å; L195-N197 PolarHBondContact O-N 2.96Å; N197-E199 VanDerWaalsContact C-N 3.29Å; N197-E199 PolarHBondContact O-N 3.1Å; N197-R200 PolarHBondContact OD1-N 3.42Å; N197-A201 WeakPolarHBondContact O-CB 3.32Å; N197-A201 PolarHBondContact O-N 2.96Å; N197-A201 VanDerWaalsContact O-N 3.08Å
198F94.4Very high94.4Very high35 Ų3539.9 Ų39.915%0.15420%0.196CC..Hα-helixtrans-68.3-26.6-173.4-62.6-65.4000113.5T193 K196 L202 V230 I233 L234T193-F198 HydrophobicContact CG2-CE1 4.39Å; K196-F198 VanDerWaalsContact C-N 3.28Å; K196-F198 HydrophobicContact CB-CE2 4Å; K196-F198 HydrophobicContact CB-CZ 4.18Å; K196-F198 HydrophobicContact CG-CZ 4.32Å; K196-F198 WeakPolarHBondContact O-CD2 3.35Å; K196-F198 PolarHBondContact O-N 3.39Å; K196-F198 VanDerWaalsContact O-N 3.1Å; F198-L202 WeakPolarHBondContact O-CB 3.3Å; F198-L202 PolarHBondContact O-N 3.38Å; F198-V230 HydrophobicContact CB-CG1 4.02Å; F198-V230 HydrophobicContact CD1-CG1 4.09Å; F198-V230 HydrophobicContact CD1-CG2 4.43Å; F198-V230 WeakPolarHBondContact O-CG1 3.44Å; F198-I233 HydrophobicContact CD1-CG2 4.35Å; F198-I233 HydrophobicContact CD2-CG2 4.11Å; F198-I233 HydrophobicContact CE1-CD1 4.36Å; F198-I233 HydrophobicContact CE1-CG2 4.2Å; F198-I233 HydrophobicContact CE2-CG2 3.95Å; F198-I233 HydrophobicContact CG-CG2 4.3Å; F198-I233 HydrophobicContact CZ-CG2 4Å; F198-L234 HydrophobicContact CB-CB 4.26Å; F198-L234 HydrophobicContact CB-CD1 4.24Å; F198-L234 HydrophobicContact CB-CD2 4.45Å
199E93.8Very high94.3Very high149 Ų14939.9 Ų39.970%0.69620%0.196SC*.Hα-helixtrans-65.6-54.7179.4-174.7177.2-178.800111.1N197 A201 L202 Y203 L234N197-E199 VanDerWaalsContact C-N 3.29Å; N197-E199 PolarHBondContact O-N 3.1Å; E199-A201 VanDerWaalsContact C-N 3.34Å; E199-A201 PolarHBondContact O-N 3.16Å; E199-L202 PolarHBondContact O-N 3.23Å; E199-Y203 PolarHBondContact O-N 3.17Å; E199-L234 HydrophobicContact CB-CD2 4.31Å
200R94.1Very high94.1Very high73 Ų7340.4 Ų40.428%0.27520%0.2SC..Hα-helixtrans-65.7-37.3174.5-78.4-63.8-166.8171.75.4111.9D165 Y192 N197 L202 Y203 F204D165-R200 VanDerWaalsContact CG-NH1 3.34Å; D165-R200 IonicContact OD1-CZ 3.29Å; D165-R200 IonicContact OD1-NH1 2.72Å; D165-R200 PolarHBondContact OD1-NH1 3.46Å; D165-R200 IonicContact OD1-NH2 2.87Å; D165-R200 IonicContact OD2-CZ 2.82Å; D165-R200 IonicContact OD2-NH1 2.76Å; D165-R200 PolarHBondContact OD2-NH1 3.44Å; D165-R200 VanDerWaalsContact OD2-NH1 3.15Å; D165-R200 IonicContact OD2-NH2 2.85Å; D165-R200 PolarHBondContact OD2-NH2 2.85Å; Y192-R200 HydrophobicContact CD1-CB 3.93Å; Y192-R200 HydrophobicContact CD2-CB 3.93Å; Y192-R200 HydrophobicContact CE1-CB 4Å; Y192-R200 HydrophobicContact CE1-CG 4.41Å; Y192-R200 HydrophobicContact CE2-CB 4Å; Y192-R200 HydrophobicContact CG-CB 3.88Å; N197-R200 PolarHBondContact OD1-N 3.42Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-L202 PolarHBondContact O-N 3.12Å; R200-Y203 PolarHBondContact O-N 3.04Å; R200-F204 VanDerWaalsContact O-CD2 3.25Å; R200-F204 WeakPolarHBondContact O-CD2 3.18Å; R200-F204 PolarHBondContact O-N 3.26Å
201A95.7Very high93.8Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-58.1-43.5175.700000112.3T193 N197 E199 F204 Y205 V230T193-A201 WeakPolarHBondContact OG1-CB 3.5Å; N197-A201 WeakPolarHBondContact O-CB 3.32Å; N197-A201 PolarHBondContact O-N 2.96Å; N197-A201 VanDerWaalsContact O-N 3.08Å; E199-A201 VanDerWaalsContact C-N 3.34Å; E199-A201 PolarHBondContact O-N 3.16Å; A201-F204 PolarHBondContact O-N 3.5Å; A201-Y205 HydrophobicContact CB-CE2 4.24Å; A201-Y205 WeakPolarHBondContact O-CD2 3.16Å; A201-Y205 PolarHBondContact O-N 3.03Å; A201-V230 HydrophobicContact CB-CG1 4.34Å
202L95.6Very high93.6Very high9 Ų944.7 Ų44.75%0.04723%0.231CC..Hα-helixtrans-63.3-46179.5-171.966.1000111.4F198 E199 R200 F204 Y205 E206 Y227 V230 L234 H235F198-L202 WeakPolarHBondContact O-CB 3.3Å; F198-L202 PolarHBondContact O-N 3.38Å; E199-L202 PolarHBondContact O-N 3.23Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-L202 PolarHBondContact O-N 3.12Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 2.94Å; L202-Y205 PolarHBondContact O-N 3.22Å; L202-E206 WeakPolarHBondContact O-CB 3.33Å; L202-E206 PolarHBondContact O-N 3.23Å; L202-Y227 HydrophobicContact CD1-CD2 3.43Å; L202-Y227 VanDerWaalsContact CD1-CD2 3.43Å; L202-Y227 HydrophobicContact CD1-CE2 3.48Å; L202-Y227 VanDerWaalsContact CD1-CE2 3.48Å; L202-Y227 HydrophobicContact CD1-CG 4.15Å; L202-Y227 HydrophobicContact CG-CD2 4.32Å; L202-Y227 HydrophobicContact CG-CE2 4.06Å; L202-V230 HydrophobicContact CB-CG1 4.04Å; L202-V230 HydrophobicContact CD1-CB 4.49Å; L202-V230 HydrophobicContact CD1-CG1 4.3Å; L202-L234 HydrophobicContact CD2-CD2 4.21Å; L202-H235 WeakPolarHBondContact CD2-NE2 3.43Å
203Y94.8Very high93.1Very high81 Ų8145.9 Ų45.932%0.31824%0.241SC..Hα-helixtrans-56.3-46.8174.6172.8-101.5000111.7E199 R200 Y205 E206 Q207E199-Y203 PolarHBondContact O-N 3.17Å; R200-Y203 PolarHBondContact O-N 3.04Å; Y203-Y205 PolarHBondContact O-N 2.91Å; Y203-E206 WeakPolarHBondContact O-CB 3.11Å; Y203-E206 PolarHBondContact O-N 3.48Å; Y203-Q207 HydrophobicContact CD1-CG 4.41Å; Y203-Q207 HydrophobicContact CD2-CG 4.39Å; Y203-Q207 HydrophobicContact CE1-CG 3.97Å; Y203-Q207 HydrophobicContact CE2-CG 3.96Å; Y203-Q207 VanDerWaalsContact CE2-NE2 3.29Å; Y203-Q207 WeakPolarHBondContact O-CG 3.15Å; Y203-Q207 PolarHBondContact O-N 2.86Å
204F95.2Very high92.6Very high4 Ų454.4 Ų54.42%0.01828%0.282CS..Hα-helixtrans-62.9-43.5-180-91.3-110.8000112.5L162 Y184 Y185 Y192 R200 A201 L202 E206 Q207 A208L162-F204 HydrophobicContact CD2-CE1 3.63Å; L162-F204 HydrophobicContact CD2-CZ 4.07Å; L162-F204 WeakPolarHBondContact O-CZ 3.27Å; Y184-F204 HydrophobicContact CE1-CE1 4.11Å; Y185-F204 HydrophobicContact CD1-CB 4.45Å; Y185-F204 AromaticContact CD1-CD1 3.71Å; Y185-F204 HydrophobicContact CD1-CD1 3.71Å; Y185-F204 HydrophobicContact CD1-CE1 4.07Å; Y185-F204 HydrophobicContact CD1-CG 4.12Å; Y185-F204 HydrophobicContact CE1-CD1 4.37Å; Y185-F204 HydrophobicContact CE1-CE1 4.35Å; Y192-F204 AromaticContact CD2-CD2 3.98Å; Y192-F204 HydrophobicContact CD2-CD2 3.98Å; Y192-F204 HydrophobicContact CD2-CE2 4.11Å; Y192-F204 HydrophobicContact CD2-CG 4.27Å; Y192-F204 HydrophobicContact CD2-CZ 4.49Å; Y192-F204 AromaticContact CE2-CD2 3.87Å; Y192-F204 HydrophobicContact CE2-CD2 3.87Å; Y192-F204 HydrophobicContact CE2-CE1 4.31Å; Y192-F204 AromaticContact CE2-CE2 3.51Å; Y192-F204 HydrophobicContact CE2-CE2 3.51Å; Y192-F204 HydrophobicContact CE2-CG 4.43Å; Y192-F204 AromaticContact CE2-CZ 3.76Å; Y192-F204 HydrophobicContact CE2-CZ 3.76Å; R200-F204 VanDerWaalsContact O-CD2 3.25Å; R200-F204 WeakPolarHBondContact O-CD2 3.18Å; R200-F204 PolarHBondContact O-N 3.26Å; A201-F204 PolarHBondContact O-N 3.5Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 2.94Å; F204-E206 VanDerWaalsContact C-N 3.33Å; F204-Q207 PolarHBondContact O-N 2.91Å; F204-A208 PolarHBondContact O-N 3.28Å; F204-A208 VanDerWaalsContact O-N 3.13Å
205Y95.9Very high92.3Very high1 Ų155.6 Ų55.60%0.00429%0.288CS..Hα-helixtrans-66-37.1174.5-64.1-54.7000112.1Y186 G189 M190 T193 A201 L202 Y203 A208 I209 A223 K226 V230Y186-Y205 HydrophobicContact CD2-CD1 4.33Å; Y186-Y205 HydrophobicContact CD2-CE1 4.01Å; Y186-Y205 HydrophobicContact CE2-CE1 4.31Å; G189-Y205 VanDerWaalsContact C-CZ 3.44Å; G189-Y205 PolarHBondContact O-OH 2.79Å; M190-Y205 WeakPolarHBondContact CA-OH 3.3Å; M190-Y205 PolarHBondContact N-OH 2.88Å; T193-Y205 WeakPolarHBondContact OG1-CE2 3.47Å; T193-Y205 PolarHBondContact OG1-OH 3.14Å; A201-Y205 HydrophobicContact CB-CE2 4.24Å; A201-Y205 WeakPolarHBondContact O-CD2 3.16Å; A201-Y205 PolarHBondContact O-N 3.03Å; L202-Y205 PolarHBondContact O-N 3.22Å; Y203-Y205 PolarHBondContact O-N 2.91Å; Y205-A208 PolarHBondContact O-N 3.48Å; Y205-I209 WeakPolarHBondContact O-CD1 3.39Å; Y205-I209 WeakPolarHBondContact O-CG1 3.42Å; Y205-I209 PolarHBondContact O-N 3.48Å; Y205-I209 VanDerWaalsContact O-N 3.14Å; Y205-A223 HydrophobicContact CD1-CB 4.16Å; Y205-K226 HydrophobicContact CD1-CB 4.31Å; Y205-K226 HydrophobicContact CD2-CB 4.3Å; Y205-K226 HydrophobicContact CE1-CB 3.85Å; Y205-K226 HydrophobicContact CE1-CD 4.02Å; Y205-K226 HydrophobicContact CE2-CB 3.86Å; Y205-K226 WeakPolarHBondContact OH-CD 3.39Å; Y205-V230 HydrophobicContact CD2-CG2 4.45Å; Y205-V230 HydrophobicContact CE2-CG2 3.96Å
206E94.8Very high92.1Very high41 Ų4154.8 Ų54.819%0.19229%0.286CS..Hα-helixtrans-58.9-48.4175.5-169.7176.6168.400111.2L202 Y203 F204 A208 I209 T210 Y227 L241 P242L202-E206 WeakPolarHBondContact O-CB 3.33Å; L202-E206 PolarHBondContact O-N 3.23Å; Y203-E206 WeakPolarHBondContact O-CB 3.11Å; Y203-E206 PolarHBondContact O-N 3.48Å; F204-E206 VanDerWaalsContact C-N 3.33Å; E206-A208 VanDerWaalsContact C-N 3.32Å; E206-A208 PolarHBondContact O-N 3.35Å; E206-I209 PolarHBondContact O-N 3.22Å; E206-T210 HydrophobicContact CG-CG2 4.31Å; E206-T210 WeakPolarHBondContact O-CG2 3.43Å; E206-T210 PolarHBondContact O-N 2.84Å; E206-T210 PolarHBondContact O-OG1 3.19Å; E206-Y227 HydrophobicContact CB-CD2 4.37Å; E206-Y227 HydrophobicContact CB-CE2 3.97Å; E206-Y227 HydrophobicContact CG-CE2 4.33Å; E206-L241 HydrophobicContact CG-CD2 4.23Å; E206-P242 VanDerWaalsContact OE1-CD 3.24Å; E206-P242 WeakPolarHBondContact OE1-CD 3.29Å; E206-P242 WeakPolarHBondContact OE1-CG 3.32Å
207Q92.4Very high92Very high38 Ų3849 Ų4918%0.17826%0.264CS..Hα-helixtrans-61.5-37177.3-63.8-47.6-43.600113Y185 Y203 F204 I209 T210 T211Y185-Q207 HydrophobicContact CD1-CB 3.57Å; Y185-Q207 HydrophobicContact CD1-CG 4.25Å; Y185-Q207 HydrophobicContact CE1-CB 3.63Å; Y185-Q207 HydrophobicContact CE1-CG 3.9Å; Y185-Q207 HydrophobicContact CG-CB 4.07Å; Y203-Q207 HydrophobicContact CD1-CG 4.41Å; Y203-Q207 HydrophobicContact CD2-CG 4.39Å; Y203-Q207 HydrophobicContact CE1-CG 3.97Å; Y203-Q207 HydrophobicContact CE2-CG 3.96Å; Y203-Q207 VanDerWaalsContact CE2-NE2 3.29Å; Y203-Q207 WeakPolarHBondContact O-CG 3.15Å; Y203-Q207 PolarHBondContact O-N 2.86Å; F204-Q207 PolarHBondContact O-N 2.91Å; Q207-I209 VanDerWaalsContact C-N 3.27Å; Q207-I209 PolarHBondContact O-N 2.75Å; Q207-T210 WeakPolarHBondContact CA-OG1 3.49Å; Q207-T210 PolarHBondContact O-OG1 3Å; Q207-T211 PolarHBondContact O-N 2.85Å; Q207-T211 PolarHBondContact O-OG1 3.48Å; Q207-T211 VanDerWaalsContact O-OG1 3.11Å
208A93.4Very high91.8Very high0 Ų053.5 Ų53.50%028%0.283CS..Hα-helixtrans-64.5-31.8174.200000112.6L182 F204 Y205 E206 T211 A223L182-A208 VanDerWaalsContact CD2-O 3.28Å; L182-A208 WeakPolarHBondContact CD2-O 3.24Å; F204-A208 PolarHBondContact O-N 3.28Å; F204-A208 VanDerWaalsContact O-N 3.13Å; Y205-A208 PolarHBondContact O-N 3.48Å; E206-A208 VanDerWaalsContact C-N 3.32Å; E206-A208 PolarHBondContact O-N 3.35Å; A208-T211 PolarHBondContact O-OG1 3.48Å; A208-A223 HydrophobicContact CB-CB 4.02Å
209I91.8Very high91.7Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-84.9-32.5-178.1-61.3153.7000111.6Y205 E206 Q207 T211 A223 Y224 Y227 L241 V249Y205-I209 WeakPolarHBondContact O-CD1 3.39Å; Y205-I209 WeakPolarHBondContact O-CG1 3.42Å; Y205-I209 PolarHBondContact O-N 3.48Å; Y205-I209 VanDerWaalsContact O-N 3.14Å; E206-I209 PolarHBondContact O-N 3.22Å; Q207-I209 VanDerWaalsContact C-N 3.27Å; Q207-I209 PolarHBondContact O-N 2.75Å; I209-T211 PolarHBondContact O-N 3.42Å; I209-A223 HydrophobicContact CG1-CB 4.34Å; I209-Y224 HydrophobicContact CD1-CD2 3.96Å; I209-Y224 HydrophobicContact CG1-CD2 4.41Å; I209-Y224 HydrophobicContact CG2-CD2 4.3Å; I209-Y227 HydrophobicContact CD1-CD1 4.32Å; I209-Y227 HydrophobicContact CD1-CD2 4.05Å; I209-Y227 HydrophobicContact CD1-CG 3.76Å; I209-L241 HydrophobicContact CD1-CD2 4.39Å; I209-L241 HydrophobicContact CG2-CD1 3.85Å; I209-L241 HydrophobicContact CG2-CD2 4.31Å; I209-V249 HydrophobicContact CG2-CG1 3.84Å; I209-V249 HydrophobicContact CG2-CG2 3.91Å
210T90.6Very high91.7Very high11 Ų1146.4 Ų46.47%0.06725%0.251CS..Hα-helixtrans-73.5-11.2179.355.70000113.8E206 Q207 P212 P242 Y244 T245E206-T210 HydrophobicContact CG-CG2 4.31Å; E206-T210 WeakPolarHBondContact O-CG2 3.43Å; E206-T210 PolarHBondContact O-N 2.84Å; E206-T210 PolarHBondContact O-OG1 3.19Å; Q207-T210 WeakPolarHBondContact CA-OG1 3.49Å; Q207-T210 PolarHBondContact O-OG1 3Å; T210-P212 WeakPolarHBondContact O-CD 3.44Å; T210-P242 HydrophobicContact CG2-CG 4.04Å; T210-Y244 HydrophobicContact CG2-CD2 4.34Å; T210-Y244 HydrophobicContact CG2-CE2 3.57Å; T210-T245 HydrophobicContact CG2-CG2 3.78Å
211T89.3Confident91.6Very high19 Ų1943.7 Ų43.712%0.11724%0.242CC..SBendtrans-55.7125.8178.3-55.60000110.9F181 L182 Q207 A208 I209 A213 S246F181-T211 HydrophobicContact CD1-CG2 4.28Å; F181-T211 HydrophobicContact CE1-CG2 4.43Å; F181-T211 VanDerWaalsContact CE1-OG1 3.26Å; F181-T211 WeakPolarHBondContact CE1-OG1 3.37Å; L182-T211 HydrophobicContact CD2-CG2 4.14Å; Q207-T211 PolarHBondContact O-N 2.85Å; Q207-T211 PolarHBondContact O-OG1 3.48Å; Q207-T211 VanDerWaalsContact O-OG1 3.11Å; A208-T211 PolarHBondContact O-OG1 3.48Å; I209-T211 PolarHBondContact O-N 3.42Å; T211-A213 PolarHBondContact O-N 3.29Å; T211-S246 PolarHBondContact O-OG 2.9Å
212P89.4Confident91.6Very high122 Ų12245.4 Ų45.479%0.79225%0.25SC*.  trans-58.7120.7175.9-26.235.7000111.5T210 S246T210-P212 WeakPolarHBondContact O-CD 3.44Å; P212-S246 VanDerWaalsContact CA-OG 3.27Å; P212-S246 WeakPolarHBondContact CA-OG 3.35Å
213A86.7Confident91.6Very high27 Ų2745 Ų4522%0.22325%0.247CC..  trans-142.9134-174.600000111.8T211 M220 S246 I248T211-A213 PolarHBondContact O-N 3.29Å; A213-M220 HydrophobicContact CB-CE 4.06Å; A213-M220 HydrophobicContact CB-SD 3.81Å; A213-S246 PolarHBondContact N-OG 2.88Å; A213-I248 HydrophobicContact CB-CD1 3.71Å; A213-I248 HydrophobicContact CB-CG1 4.3Å
214M84.8Confident91.6Very high190 Ų19042 Ų4294%0.93624%0.236SC*.SBendtrans-92.8-25.2173.1-68-63.1-166.300112.5
215A86.3Confident91.7Very high74 Ų7442.5 Ų42.561%0.61224%0.238SC*.SBendtrans-120.8148179.700000110.7
216V86.9Confident91.7Very high61 Ų6142.8 Ų42.837%0.3724%0.239SC..  trans-76.7126.3177-1790000109.2I248 F252 I253V216-I248 HydrophobicContact CG2-CB 4.24Å; V216-I248 HydrophobicContact CG2-CD1 4.21Å; V216-F252 HydrophobicContact CG2-CB 3.65Å; V216-F252 HydrophobicContact CG2-CD2 4.05Å; V216-F252 HydrophobicContact CG2-CG 4.09Å; V216-I253 HydrophobicContact CG1-CD1 4.41Å; V216-I253 HydrophobicContact CG1-CG1 3.96Å
217S90.6Very high91.8Very high28 Ų2840.9 Ų40.920%0.19623%0.23CC..  trans-103.7148.917071.90000110.9I219 M220 L221S217-I219 PolarHBondContact O-N 3.38Å; S217-M220 PolarHBondContact O-N 2.97Å; S217-M220 VanDerWaalsContact OG-CG 3.24Å; S217-M220 WeakPolarHBondContact OG-CG 3.49Å; S217-M220 PolarHBondContact OG-N 3.05Å; S217-L221 PolarHBondContact O-N 3.29Å
218H91.1Very high91.9Very high160 Ų16039.1 Ų39.174%0.74122%0.222SC*.Hα-helixtrans-62-30.9173.4-70.9-74.2000112.1L221 E222H218-L221 PolarHBondContact O-N 2.75Å; H218-E222 PolarHBondContact O-N 3.39Å
219I93.6Very high92.1Very high34 Ų3439.1 Ų39.117%0.17422%0.222CC..Hα-helixtrans-62.4-48.4178.3-52.9160.9000110L182 Y186 S217 L221 E222 A223L182-I219 HydrophobicContact CB-CB 4.31Å; L182-I219 HydrophobicContact CB-CD1 4.11Å; L182-I219 HydrophobicContact CB-CG2 3.88Å; Y186-I219 HydrophobicContact CD1-CG2 4.09Å; Y186-I219 HydrophobicContact CG-CG2 3.87Å; S217-I219 PolarHBondContact O-N 3.38Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.28Å; I219-E222 PolarHBondContact O-N 3.13Å; I219-A223 VanDerWaalsContact O-CB 3.29Å; I219-A223 WeakPolarHBondContact O-CB 3.3Å; I219-A223 PolarHBondContact O-N 2.81Å
220M92.3Very high92.3Very high1 Ų139.1 Ų39.11%0.00522%0.222CC..Hα-helixtrans-63.3-38.8176.9-71.1175.781.100112.2L182 A213 S217 A223 Y224 I248 V249 I253L182-M220 HydrophobicContact CD1-CG 4.26Å; L182-M220 HydrophobicContact CD2-CG 3.74Å; L182-M220 HydrophobicContact CD2-SD 4.43Å; A213-M220 HydrophobicContact CB-CE 4.06Å; A213-M220 HydrophobicContact CB-SD 3.81Å; S217-M220 PolarHBondContact O-N 2.97Å; S217-M220 VanDerWaalsContact OG-CG 3.24Å; S217-M220 WeakPolarHBondContact OG-CG 3.49Å; S217-M220 PolarHBondContact OG-N 3.05Å; M220-A223 PolarHBondContact O-N 3.49Å; M220-Y224 WeakPolarHBondContact O-CB 3.49Å; M220-Y224 PolarHBondContact O-N 2.98Å; M220-I248 HydrophobicContact CE-CD1 4.01Å; M220-I248 HydrophobicContact SD-CD1 4.14Å; M220-V249 HydrophobicContact CE-CG2 4.09Å; M220-I253 HydrophobicContact CB-CD1 3.87Å
221L93.3Very high92.5Very high16 Ų1638.6 Ų38.68%0.08422%0.219CC..Hα-helixtrans-65.9-44.3179-179.4149.2000111.7S217 H218 I219 Y224 K225 I253 L256S217-L221 PolarHBondContact O-N 3.29Å; H218-L221 PolarHBondContact O-N 2.75Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.28Å; L221-Y224 PolarHBondContact O-N 3.44Å; L221-K225 HydrophobicContact CD2-CD 4Å; L221-K225 VanDerWaalsContact CD2-NZ 3.3Å; L221-K225 WeakPolarHBondContact O-CG 3.38Å; L221-K225 PolarHBondContact O-N 3.22Å; L221-K225 VanDerWaalsContact O-N 3.09Å; L221-I253 HydrophobicContact CB-CG2 4.35Å; L221-I253 HydrophobicContact CG-CG2 4.4Å; L221-L256 HydrophobicContact CD1-CB 3.8Å; L221-L256 HydrophobicContact CD1-CD1 3.72Å; L221-L256 HydrophobicContact CD1-CG 4.39Å
222E94.9Very high92.8Very high37 Ų3737.7 Ų37.717%0.17321%0.213CC..Hα-helixtrans-68.6-37.4175.1-73.2-57.6136.800112.8Y186 H218 I219 Y224 K225 K226Y186-E222 HydrophobicContact CE2-CB 3.71Å; H218-E222 PolarHBondContact O-N 3.39Å; I219-E222 PolarHBondContact O-N 3.13Å; E222-Y224 VanDerWaalsContact C-N 3.33Å; E222-K225 PolarHBondContact O-N 3.19Å; E222-K225 IonicContact OE1-NZ 3.9Å; E222-K225 PolarHBondContact OE1-NZ 2.94Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 2.94Å; E222-K226 VanDerWaalsContact O-N 3.09Å; E222-K226 IonicContact OE2-NZ 2.77Å; E222-K226 PolarHBondContact OE2-NZ 3.42Å
223A95.4Very high93Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-60-44.4172.400000111Y186 Y205 A208 I209 I219 M220 K226 Y227Y186-A223 HydrophobicContact CD2-CB 3.81Å; Y186-A223 HydrophobicContact CE2-CB 4.46Å; Y205-A223 HydrophobicContact CD1-CB 4.16Å; A208-A223 HydrophobicContact CB-CB 4.02Å; I209-A223 HydrophobicContact CG1-CB 4.34Å; I219-A223 VanDerWaalsContact O-CB 3.29Å; I219-A223 WeakPolarHBondContact O-CB 3.3Å; I219-A223 PolarHBondContact O-N 2.81Å; M220-A223 PolarHBondContact O-N 3.49Å; A223-K226 PolarHBondContact O-N 3.2Å; A223-Y227 VanDerWaalsContact O-CB 3.29Å; A223-Y227 WeakPolarHBondContact O-CB 3.44Å; A223-Y227 PolarHBondContact O-N 3.38Å
224Y95.6Very high93.3Very high18 Ų1835.2 Ų35.27%0.07119%0.189CC..Hα-helixtrans-63.2-42.9178.3-171.9-107000113I209 M220 L221 E222 K226 Y227 I228 L241 V249 I253 S257 H261I209-Y224 HydrophobicContact CD1-CD2 3.96Å; I209-Y224 HydrophobicContact CG1-CD2 4.41Å; I209-Y224 HydrophobicContact CG2-CD2 4.3Å; M220-Y224 WeakPolarHBondContact O-CB 3.49Å; M220-Y224 PolarHBondContact O-N 2.98Å; L221-Y224 PolarHBondContact O-N 3.44Å; E222-Y224 VanDerWaalsContact C-N 3.33Å; Y224-K226 PolarHBondContact O-N 3.12Å; Y224-Y227 WeakPolarHBondContact O-CB 3.5Å; Y224-Y227 PolarHBondContact O-N 2.8Å; Y224-I228 HydrophobicContact CD1-CD1 4Å; Y224-I228 HydrophobicContact CE1-CD1 3.61Å; Y224-I228 HydrophobicContact CE1-CG1 4.46Å; Y224-I228 WeakPolarHBondContact O-CG1 3.28Å; Y224-I228 PolarHBondContact O-N 3.31Å; Y224-I228 VanDerWaalsContact O-N 3.09Å; Y224-L241 HydrophobicContact CD2-CD1 4.24Å; Y224-L241 HydrophobicContact CE2-CD1 3.68Å; Y224-V249 HydrophobicContact CD2-CG1 4.13Å; Y224-V249 HydrophobicContact CE2-CG1 4.09Å; Y224-I253 HydrophobicContact CD1-CG2 3.61Å; Y224-I253 HydrophobicContact CE1-CG2 4.39Å; Y224-I253 HydrophobicContact CG-CG2 3.75Å; Y224-S257 WeakPolarHBondContact CD1-OG 3.4Å; Y224-S257 VanDerWaalsContact CE1-OG 3.31Å; Y224-S257 WeakPolarHBondContact CE1-OG 3.45Å; Y224-H261 AromaticContact CE1-NE2 3.36Å; Y224-H261 WeakPolarHBondContact CE1-NE2 3.34Å; Y224-H261 AromaticContact CZ-CE1 3.93Å; Y224-H261 AromaticContact CZ-NE2 3.67Å; Y224-H261 PolarHBondContact OH-CE1 3.05Å; Y224-H261 PolarHBondContact OH-NE2 3.27Å; Y224-H261 VanDerWaalsContact OH-NE2 3.16Å
225K95.9Very high93.5Very high14 Ų1430.8 Ų30.86%0.06117%0.166CC..Hα-helixtrans-58.2-47.8174-70.5171.1176.9175.30111.5L221 E222 I228 L229 Y260 D289L221-K225 HydrophobicContact CD2-CD 4Å; L221-K225 VanDerWaalsContact CD2-NZ 3.3Å; L221-K225 WeakPolarHBondContact O-CG 3.38Å; L221-K225 PolarHBondContact O-N 3.22Å; L221-K225 VanDerWaalsContact O-N 3.09Å; E222-K225 PolarHBondContact O-N 3.19Å; E222-K225 IonicContact OE1-NZ 3.9Å; E222-K225 PolarHBondContact OE1-NZ 2.94Å; K225-I228 PolarHBondContact O-N 3.19Å; K225-L229 WeakPolarHBondContact O-CG 3.31Å; K225-L229 PolarHBondContact O-N 3.4Å; K225-Y260 HydrophobicContact CB-CD1 4.08Å; K225-Y260 HydrophobicContact CB-CD2 4.3Å; K225-Y260 HydrophobicContact CB-CE1 3.78Å; K225-Y260 HydrophobicContact CB-CE2 4.03Å; K225-Y260 HydrophobicContact CB-CG 4.33Å; K225-Y260 HydrophobicContact CD-CD2 4.29Å; K225-Y260 HydrophobicContact CD-CE2 3.57Å; K225-Y260 HydrophobicContact CG-CD1 4.42Å; K225-Y260 HydrophobicContact CG-CD2 3.75Å; K225-Y260 HydrophobicContact CG-CE1 4.21Å; K225-Y260 HydrophobicContact CG-CE2 3.51Å; K225-Y260 HydrophobicContact CG-CG 4.21Å; K225-D289 WeakPolarHBondContact CD-OD2 3.31Å; K225-D289 VanDerWaalsContact CE-OD2 3.23Å; K225-D289 WeakPolarHBondContact CE-OD2 3.44Å; K225-D289 IonicContact NZ-OD1 3.56Å; K225-D289 PolarHBondContact NZ-OD1 3.39Å; K225-D289 IonicContact NZ-OD2 3.44Å; K225-D289 PolarHBondContact NZ-OD2 3.26Å
226K96.3Very high93.7Very high8 Ų827.8 Ų27.84%0.03514%0.142CC..Hα-helixtrans-70.2-34.2179.8-69.2-179-179.964.60112.4Y186 M190 Y205 E222 A223 Y224 I228 L229 V230 N291 L294Y186-K226 HydrophobicContact CE2-CD 3.98Å; Y186-K226 PolarHBondContact OH-NZ 3.43Å; M190-K226 HydrophobicContact CG-CD 4.17Å; Y205-K226 HydrophobicContact CD1-CB 4.31Å; Y205-K226 HydrophobicContact CD2-CB 4.3Å; Y205-K226 HydrophobicContact CE1-CB 3.85Å; Y205-K226 HydrophobicContact CE1-CD 4.02Å; Y205-K226 HydrophobicContact CE2-CB 3.86Å; Y205-K226 WeakPolarHBondContact OH-CD 3.39Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 2.94Å; E222-K226 VanDerWaalsContact O-N 3.09Å; E222-K226 IonicContact OE2-NZ 2.77Å; E222-K226 PolarHBondContact OE2-NZ 3.42Å; A223-K226 PolarHBondContact O-N 3.2Å; Y224-K226 PolarHBondContact O-N 3.12Å; K226-I228 VanDerWaalsContact C-N 3.35Å; K226-I228 PolarHBondContact O-N 3.12Å; K226-L229 PolarHBondContact O-N 3.29Å; K226-V230 WeakPolarHBondContact O-CB 3.32Å; K226-V230 WeakPolarHBondContact O-CG2 3.31Å; K226-V230 PolarHBondContact O-N 2.83Å; K226-N291 WeakPolarHBondContact CE-OD1 3.29Å; K226-N291 PolarHBondContact NZ-OD1 3.09Å; K226-L294 HydrophobicContact CG-CD1 4.29Å
227Y96.8Very high93.9Very high1 Ų131.4 Ų31.40%0.00415%0.153CC..Hα-helixtrans-57.6-45.4171.6175.5-91.9000111.8L202 E206 I209 A223 Y224 L229 S231 V238 Q239 L241L202-Y227 HydrophobicContact CD1-CD2 3.43Å; L202-Y227 VanDerWaalsContact CD1-CD2 3.43Å; L202-Y227 HydrophobicContact CD1-CE2 3.48Å; L202-Y227 VanDerWaalsContact CD1-CE2 3.48Å; L202-Y227 HydrophobicContact CD1-CG 4.15Å; L202-Y227 HydrophobicContact CG-CD2 4.32Å; L202-Y227 HydrophobicContact CG-CE2 4.06Å; E206-Y227 HydrophobicContact CB-CD2 4.37Å; E206-Y227 HydrophobicContact CB-CE2 3.97Å; E206-Y227 HydrophobicContact CG-CE2 4.33Å; I209-Y227 HydrophobicContact CD1-CD1 4.32Å; I209-Y227 HydrophobicContact CD1-CD2 4.05Å; I209-Y227 HydrophobicContact CD1-CG 3.76Å; A223-Y227 VanDerWaalsContact O-CB 3.29Å; A223-Y227 WeakPolarHBondContact O-CB 3.44Å; A223-Y227 PolarHBondContact O-N 3.38Å; Y224-Y227 WeakPolarHBondContact O-CB 3.5Å; Y224-Y227 PolarHBondContact O-N 2.8Å; Y227-L229 PolarHBondContact O-N 2.92Å; Y227-S231 VanDerWaalsContact O-CB 3.26Å; Y227-S231 WeakPolarHBondContact O-CB 3.35Å; Y227-S231 PolarHBondContact O-N 2.91Å; Y227-S231 PolarHBondContact O-OG 3.14Å; Y227-V238 HydrophobicContact CE1-CG1 4.33Å; Y227-Q239 WeakPolarHBondContact CE1-O 3.23Å; Y227-Q239 VanDerWaalsContact OH-CB 3.32Å; Y227-Q239 WeakPolarHBondContact OH-CB 3.43Å; Y227-Q239 PolarHBondContact OH-O 3.13Å; Y227-L241 HydrophobicContact CD1-CD2 4.47Å; Y227-L241 HydrophobicContact CE1-CD2 3.83Å; Y227-L241 HydrophobicContact CE1-CG 4.15Å; Y227-L241 HydrophobicContact CE2-CD2 4.03Å
228I95.8Very high94Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-60.8-47.3175.4-67168.4000110.4Y224 K225 K226 S231 L232 V238 A264Y224-I228 HydrophobicContact CD1-CD1 4Å; Y224-I228 HydrophobicContact CE1-CD1 3.61Å; Y224-I228 HydrophobicContact CE1-CG1 4.46Å; Y224-I228 WeakPolarHBondContact O-CG1 3.28Å; Y224-I228 PolarHBondContact O-N 3.31Å; Y224-I228 VanDerWaalsContact O-N 3.09Å; K225-I228 PolarHBondContact O-N 3.19Å; K226-I228 VanDerWaalsContact C-N 3.35Å; K226-I228 PolarHBondContact O-N 3.12Å; I228-S231 WeakPolarHBondContact CA-OG 3.18Å; I228-S231 PolarHBondContact O-OG 3.3Å; I228-L232 HydrophobicContact CG2-CD1 4.16Å; I228-L232 VanDerWaalsContact O-CG 3.25Å; I228-L232 WeakPolarHBondContact O-CG 3.35Å; I228-L232 PolarHBondContact O-N 3.47Å; I228-V238 HydrophobicContact CG1-CG1 4.38Å; I228-V238 HydrophobicContact CG2-CG2 3.98Å; I228-A264 HydrophobicContact CG2-CB 4.35Å
229L96.2Very high94Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-63.7-47.9-178.8-65.7170.8000112.4K225 K226 Y227 L232 I233 Y260 L263 N291 L294 V295 C298K225-L229 WeakPolarHBondContact O-CG 3.31Å; K225-L229 PolarHBondContact O-N 3.4Å; K226-L229 PolarHBondContact O-N 3.29Å; Y227-L229 PolarHBondContact O-N 2.92Å; L229-L232 PolarHBondContact O-N 3.44Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.34Å; L229-Y260 HydrophobicContact CD1-CD1 4.17Å; L229-Y260 HydrophobicContact CD1-CE1 3.68Å; L229-Y260 HydrophobicContact CD2-CD1 4.08Å; L229-Y260 HydrophobicContact CD2-CE1 4.26Å; L229-Y260 HydrophobicContact CG-CD1 3.95Å; L229-Y260 HydrophobicContact CG-CE1 3.99Å; L229-L263 HydrophobicContact CD2-CD2 3.61Å; L229-N291 HydrophobicContact CD1-CB 3.88Å; L229-L294 HydrophobicContact CB-CB 4.3Å; L229-L294 HydrophobicContact CD1-CB 3.81Å; L229-L294 HydrophobicContact CD1-CD1 4.2Å; L229-V295 HydrophobicContact CD1-CG2 4.26Å; L229-V295 HydrophobicContact CD2-CG2 3.72Å; L229-C298 PolarHBondContact O-SG 3.27Å
230V96.6Very high93.9Very high0 Ų033.6 Ų33.60%016%0.162CC..Hα-helixtrans-66.8-39.1-179.6173.70000111.2T193 F198 A201 L202 Y205 K226 L232 I233 L234T193-V230 HydrophobicContact CG2-CG2 4.22Å; F198-V230 HydrophobicContact CB-CG1 4.02Å; F198-V230 HydrophobicContact CD1-CG1 4.09Å; F198-V230 HydrophobicContact CD1-CG2 4.43Å; F198-V230 WeakPolarHBondContact O-CG1 3.44Å; A201-V230 HydrophobicContact CB-CG1 4.34Å; L202-V230 HydrophobicContact CB-CG1 4.04Å; L202-V230 HydrophobicContact CD1-CB 4.49Å; L202-V230 HydrophobicContact CD1-CG1 4.3Å; Y205-V230 HydrophobicContact CD2-CG2 4.45Å; Y205-V230 HydrophobicContact CE2-CG2 3.96Å; K226-V230 WeakPolarHBondContact O-CB 3.32Å; K226-V230 WeakPolarHBondContact O-CG2 3.31Å; K226-V230 PolarHBondContact O-N 2.83Å; V230-L232 VanDerWaalsContact C-N 3.34Å; V230-L232 PolarHBondContact O-N 3.18Å; V230-I233 PolarHBondContact O-N 2.97Å; V230-L234 WeakPolarHBondContact O-CB 3.22Å; V230-L234 PolarHBondContact O-N 2.79Å
231S95.3Very high93.8Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-64.5-37.5174.656.70000112.6Y227 I228 I233 H235 G236 K237Y227-S231 VanDerWaalsContact O-CB 3.26Å; Y227-S231 WeakPolarHBondContact O-CB 3.35Å; Y227-S231 PolarHBondContact O-N 2.91Å; Y227-S231 PolarHBondContact O-OG 3.14Å; I228-S231 WeakPolarHBondContact CA-OG 3.18Å; I228-S231 PolarHBondContact O-OG 3.3Å; S231-I233 VanDerWaalsContact C-N 3.35Å; S231-H235 PolarHBondContact O-N 3.32Å; S231-G236 PolarHBondContact O-N 3.43Å; S231-K237 CarbonylContact C-O 3.54Å; S231-K237 VanDerWaalsContact O-O 3.1Å
232L94.4Very high93.7Very high1 Ų135.8 Ų35.81%0.00518%0.175CC..Hα-helixtrans-64-38.9172.8-71.2176.9000112.3I228 L229 V230 G236 V238 L263 A264 Y267I228-L232 HydrophobicContact CG2-CD1 4.16Å; I228-L232 VanDerWaalsContact O-CG 3.25Å; I228-L232 WeakPolarHBondContact O-CG 3.35Å; I228-L232 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 3.44Å; V230-L232 VanDerWaalsContact C-N 3.34Å; V230-L232 PolarHBondContact O-N 3.18Å; L232-G236 VanDerWaalsContact O-CA 3.23Å; L232-G236 WeakPolarHBondContact O-CA 3.44Å; L232-G236 PolarHBondContact O-N 3.41Å; L232-V238 HydrophobicContact CD2-CG2 4.07Å; L232-V238 HydrophobicContact CG-CG2 4.32Å; L232-L263 HydrophobicContact CD1-CD2 4.22Å; L232-A264 HydrophobicContact CD1-CB 4.22Å; L232-A264 HydrophobicContact CD2-CB 4.22Å; L232-Y267 HydrophobicContact CB-CE2 4.4Å; L232-Y267 HydrophobicContact CD1-CD2 4.38Å; L232-Y267 HydrophobicContact CD1-CG 4.49Å; L232-Y267 HydrophobicContact CD2-CD1 3.83Å; L232-Y267 HydrophobicContact CD2-CD2 4.34Å; L232-Y267 HydrophobicContact CD2-CE1 4.35Å; L232-Y267 HydrophobicContact CD2-CG 3.84Å; L232-Y267 PolarHBondContact O-OH 3.23Å
233I94.2Very high93.4Very high28 Ų2844 Ų4414%0.14421%0.21CC..Hα-helixtrans-68-48.3177.7-67.4162.5000110.8F198 L229 V230 S231 Q297 C298F198-I233 HydrophobicContact CD1-CG2 4.35Å; F198-I233 HydrophobicContact CD2-CG2 4.11Å; F198-I233 HydrophobicContact CE1-CD1 4.36Å; F198-I233 HydrophobicContact CE1-CG2 4.2Å; F198-I233 HydrophobicContact CE2-CG2 3.95Å; F198-I233 HydrophobicContact CG-CG2 4.3Å; F198-I233 HydrophobicContact CZ-CG2 4Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.34Å; V230-I233 PolarHBondContact O-N 2.97Å; S231-I233 VanDerWaalsContact C-N 3.35Å; I233-Q297 HydrophobicContact CD1-CB 3.74Å; I233-Q297 HydrophobicContact CG1-CB 4.29Å; I233-C298 HydrophobicContact CG1-CB 4.49Å
234L93.5Very high93.1Very high68 Ų6851.1 Ų51.136%0.35624%0.238SC..Hα-helixtrans-79.8-48.5-172.2-177.162.4000113.4F198 E199 L202 V230F198-L234 HydrophobicContact CB-CB 4.26Å; F198-L234 HydrophobicContact CB-CD1 4.24Å; F198-L234 HydrophobicContact CB-CD2 4.45Å; E199-L234 HydrophobicContact CB-CD2 4.31Å; L202-L234 HydrophobicContact CD2-CD2 4.21Å; V230-L234 WeakPolarHBondContact O-CB 3.22Å; V230-L234 PolarHBondContact O-N 2.79Å
235H89.5Confident92.8Very high97 Ų9751.6 Ų51.645%0.44924%0.243SC..Hα-helixtrans-106.8-8.6-172.3-62.5-56.8000113.5L202 S231 K237L202-H235 WeakPolarHBondContact CD2-NE2 3.43Å; S231-H235 PolarHBondContact O-N 3.32Å; H235-K237 HydrophobicContact CB-CG 4.39Å; H235-K237 PolarHBondContact O-N 3.43Å
236G88.8Confident92.5Very high11 Ų1151.6 Ų51.611%0.11325%0.245CC..SBendtrans68.611.6-17600000114.4S231 L232 Y267 K305S231-G236 PolarHBondContact O-N 3.43Å; L232-G236 VanDerWaalsContact O-CA 3.23Å; L232-G236 WeakPolarHBondContact O-CA 3.44Å; L232-G236 PolarHBondContact O-N 3.41Å; G236-Y267 WeakPolarHBondContact O-CE1 3.36Å; G236-K305 PolarHBondContact O-NZ 3.46Å
237K91.8Very high92.1Very high137 Ų13759 Ų5960%0.59628%0.279SS*.SBendtrans-157157.6175.863.6179.5179.7178.30109.2S231 H235 Q239S231-K237 CarbonylContact C-O 3.54Å; S231-K237 VanDerWaalsContact O-O 3.1Å; H235-K237 HydrophobicContact CB-CG 4.39Å; H235-K237 PolarHBondContact O-N 3.43Å; K237-Q239 PolarHBondContact O-N 3.33Å
238V92.4Very high91.8Very high39 Ų3959.7 Ų59.724%0.23628%0.283CS..PPolyproline II helixtrans-72.4124.2175.2-1760000109.5Y227 I228 L232 A264Y227-V238 HydrophobicContact CE1-CG1 4.33Å; I228-V238 HydrophobicContact CG1-CG1 4.38Å; I228-V238 HydrophobicContact CG2-CG2 3.98Å; L232-V238 HydrophobicContact CD2-CG2 4.07Å; L232-V238 HydrophobicContact CG-CG2 4.32Å; V238-A264 HydrophobicContact CG2-CB 3.53Å
239Q92.1Very high91.3Very high71 Ų7159.9 Ų59.933%0.33228%0.284SS..PPolyproline II helixtrans-71.3135.9177.7-178.460.329.300109.7Y227 K237 L241Y227-Q239 WeakPolarHBondContact CE1-O 3.23Å; Y227-Q239 VanDerWaalsContact OH-CB 3.32Å; Y227-Q239 WeakPolarHBondContact OH-CB 3.43Å; Y227-Q239 PolarHBondContact OH-O 3.13Å; K237-Q239 PolarHBondContact O-N 3.33Å; Q239-L241 PolarHBondContact O-N 3.21Å
240Q90.6Very high90.9Very high158 Ų15862.3 Ų62.374%0.73831%0.309SS*.PPolyproline II helixtrans-70129.7179.9-67.1-61.8-3400109.6
241L89.8Confident90.6Very high40 Ų4071.3 Ų71.321%0.20934%0.343CS..PPolyproline II helixtrans-72151.6176-73.6174.3000111E206 I209 Y224 Y227 Q239 T245 V249E206-L241 HydrophobicContact CG-CD2 4.23Å; I209-L241 HydrophobicContact CD1-CD2 4.39Å; I209-L241 HydrophobicContact CG2-CD1 3.85Å; I209-L241 HydrophobicContact CG2-CD2 4.31Å; Y224-L241 HydrophobicContact CD2-CD1 4.24Å; Y224-L241 HydrophobicContact CE2-CD1 3.68Å; Y227-L241 HydrophobicContact CD1-CD2 4.47Å; Y227-L241 HydrophobicContact CE1-CD2 3.83Å; Y227-L241 HydrophobicContact CE1-CG 4.15Å; Y227-L241 HydrophobicContact CE2-CD2 4.03Å; Q239-L241 PolarHBondContact O-N 3.21Å; L241-T245 HydrophobicContact CB-CG2 3.92Å; L241-T245 HydrophobicContact CD1-CG2 4.35Å; L241-V249 HydrophobicContact CD1-CG1 4.28Å
242P91.6Very high90.4Very high24 Ų2475.8 Ų75.816%0.15636%0.363CS..PPolyproline II helixtrans-60.3151.7176-23.633.5000113.4E206 T210 Y244 T245E206-P242 VanDerWaalsContact OE1-CD 3.24Å; E206-P242 WeakPolarHBondContact OE1-CD 3.29Å; E206-P242 WeakPolarHBondContact OE1-CG 3.32Å; T210-P242 HydrophobicContact CG2-CG 4.04Å; P242-Y244 HydrophobicContact CB-CD1 3.58Å; P242-Y244 HydrophobicContact CB-CD2 4.47Å; P242-Y244 HydrophobicContact CB-CE1 3.17Å; P242-Y244 HydrophobicContact CB-CE2 4.16Å; P242-Y244 HydrophobicContact CB-CG 4.21Å; P242-Y244 VanDerWaalsContact CB-CZ 3.48Å; P242-Y244 HydrophobicContact CG-CE1 3.92Å; P242-Y244 PolarHBondContact O-N 3.21Å; P242-Y244 VanDerWaalsContact O-N 3.16Å; P242-T245 WeakPolarHBondContact O-CG2 3.44Å; P242-T245 PolarHBondContact O-N 3.35Å; P242-T245 PolarHBondContact O-OG1 3.28Å; P242-T245 VanDerWaalsContact O-OG1 3.05Å
243K88.7Confident90.2Very high209 Ų20975.8 Ų75.891%0.90936%0.362SS*.THydrogen-bonded Turntrans-63.4-23.6-178.9-69.9-175.7179.2178.50114.1T245K243-T245 VanDerWaalsContact C-N 3.26Å; K243-T245 PolarHBondContact O-N 3.25Å
244Y90.1Very high90Very high150 Ų15079.5 Ų79.559%0.58838%0.378SS*.THydrogen-bonded Turntrans-82.42.4-179.260.4-98.4000113.5T210 P242T210-Y244 HydrophobicContact CG2-CD2 4.34Å; T210-Y244 HydrophobicContact CG2-CE2 3.57Å; P242-Y244 HydrophobicContact CB-CD1 3.58Å; P242-Y244 HydrophobicContact CB-CD2 4.47Å; P242-Y244 HydrophobicContact CB-CE1 3.17Å; P242-Y244 HydrophobicContact CB-CE2 4.16Å; P242-Y244 HydrophobicContact CB-CG 4.21Å; P242-Y244 VanDerWaalsContact CB-CZ 3.48Å; P242-Y244 HydrophobicContact CG-CE1 3.92Å; P242-Y244 PolarHBondContact O-N 3.21Å; P242-Y244 VanDerWaalsContact O-N 3.16Å
245T89.7Confident90Very high27 Ų2780 Ų8017%0.16639%0.385CS..SBendtrans-60.6142.4174.152.10000112.1T210 L241 P242 K243 Q247T210-T245 HydrophobicContact CG2-CG2 3.78Å; L241-T245 HydrophobicContact CB-CG2 3.92Å; L241-T245 HydrophobicContact CD1-CG2 4.35Å; P242-T245 WeakPolarHBondContact O-CG2 3.44Å; P242-T245 PolarHBondContact O-N 3.35Å; P242-T245 PolarHBondContact O-OG1 3.28Å; P242-T245 VanDerWaalsContact O-OG1 3.05Å; K243-T245 VanDerWaalsContact C-N 3.26Å; K243-T245 PolarHBondContact O-N 3.25Å; T245-Q247 PolarHBondContact O-N 2.91Å
246S88.5Confident90.1Very high15 Ų1580.9 Ų80.911%0.10539%0.392CS..  trans-54.2135.6179.5-63.30000113T211 P212 A213 I248 V249T211-S246 PolarHBondContact O-OG 2.9Å; P212-S246 VanDerWaalsContact CA-OG 3.27Å; P212-S246 WeakPolarHBondContact CA-OG 3.35Å; A213-S246 PolarHBondContact N-OG 2.88Å; S246-I248 PolarHBondContact O-N 3.07Å; S246-I248 VanDerWaalsContact O-N 3.08Å; S246-V249 WeakPolarHBondContact O-CB 3.41Å; S246-V249 WeakPolarHBondContact O-CG2 3.49Å; S246-V249 PolarHBondContact O-N 3.3Å
247Q88.2Confident90.3Very high163 Ų16380.4 Ų80.476%0.76239%0.387SS*.Hα-helixtrans-57.8-28.5-178.9-65.2-62.4-33.800113.3T245 V249 G250 R251T245-Q247 PolarHBondContact O-N 2.91Å; Q247-V249 PolarHBondContact O-N 3.47Å; Q247-G250 PolarHBondContact O-N 2.96Å; Q247-R251 WeakPolarHBondContact O-CB 3.5Å; Q247-R251 PolarHBondContact O-N 3.41Å; Q247-R251 VanDerWaalsContact O-N 3.07Å
248I89.4Confident90.4Very high16 Ų1678.5 Ų78.58%0.08238%0.383CS..Hα-helixtrans-59.1-28.8175.958.2137.6000113.2A213 V216 M220 S246 F252 I253A213-I248 HydrophobicContact CB-CD1 3.71Å; A213-I248 HydrophobicContact CB-CG1 4.3Å; V216-I248 HydrophobicContact CG2-CB 4.24Å; V216-I248 HydrophobicContact CG2-CD1 4.21Å; M220-I248 HydrophobicContact CE-CD1 4.01Å; M220-I248 HydrophobicContact SD-CD1 4.14Å; S246-I248 PolarHBondContact O-N 3.07Å; S246-I248 VanDerWaalsContact O-N 3.08Å; I248-F252 HydrophobicContact CB-CD2 4.21Å; I248-F252 HydrophobicContact CG2-CD2 4.28Å; I248-F252 HydrophobicContact CG2-CE2 4.49Å; I248-F252 WeakPolarHBondContact O-CB 3.44Å; I248-F252 PolarHBondContact O-N 3.38Å; I248-I253 HydrophobicContact CD1-CD1 4.46Å; I248-I253 PolarHBondContact O-N 3.44Å
249V86.8Confident90.5Very high4 Ų477.1 Ų77.12%0.02438%0.376CS..Iπ-helixtrans-65.4-49.3-179.8-178.90000109.4I209 M220 Y224 L241 S246 Q247 I253 K254I209-V249 HydrophobicContact CG2-CG1 3.84Å; I209-V249 HydrophobicContact CG2-CG2 3.91Å; M220-V249 HydrophobicContact CE-CG2 4.09Å; Y224-V249 HydrophobicContact CD2-CG1 4.13Å; Y224-V249 HydrophobicContact CE2-CG1 4.09Å; L241-V249 HydrophobicContact CD1-CG1 4.28Å; S246-V249 WeakPolarHBondContact O-CB 3.41Å; S246-V249 WeakPolarHBondContact O-CG2 3.49Å; S246-V249 PolarHBondContact O-N 3.3Å; Q247-V249 PolarHBondContact O-N 3.47Å; V249-I253 HydrophobicContact CB-CD1 4.42Å; V249-I253 HydrophobicContact CG1-CB 4.45Å; V249-I253 HydrophobicContact CG2-CD1 4.1Å; V249-I253 WeakPolarHBondContact O-CB 3.33Å; V249-I253 PolarHBondContact O-N 2.87Å; V249-K254 PolarHBondContact O-N 3.15Å
250G87.4Confident90.7Very high50 Ų5073.8 Ų73.852%0.51536%0.361SS..Iπ-helixtrans-69.4-38.9178.100000113.3Q247Q247-G250 PolarHBondContact O-N 2.96Å
251R89.3Confident90.8Very high190 Ų19068.1 Ų68.172%0.71733%0.334SS*.Iπ-helixtrans-80.1-37.6-173.4-170.5174.9-179.9176.90.4114Q247 P255Q247-R251 WeakPolarHBondContact O-CB 3.5Å; Q247-R251 PolarHBondContact O-N 3.41Å; Q247-R251 VanDerWaalsContact O-N 3.07Å; R251-P255 WeakPolarHBondContact O-CG 3.35Å
252F91.4Very high91.1Very high94 Ų9468.3 Ų68.341%0.41233%0.334SS..Iπ-helixtrans-121-46.4-171.8-60.5-72.6000113.1V216 I248 P255 L256V216-F252 HydrophobicContact CG2-CB 3.65Å; V216-F252 HydrophobicContact CG2-CD2 4.05Å; V216-F252 HydrophobicContact CG2-CG 4.09Å; I248-F252 HydrophobicContact CB-CD2 4.21Å; I248-F252 HydrophobicContact CG2-CD2 4.28Å; I248-F252 HydrophobicContact CG2-CE2 4.49Å; I248-F252 WeakPolarHBondContact O-CB 3.44Å; I248-F252 PolarHBondContact O-N 3.38Å; F252-P255 VanDerWaalsContact O-CD 3.24Å; F252-P255 WeakPolarHBondContact O-CD 3.37Å; F252-P255 VanDerWaalsContact O-CG 3.27Å; F252-P255 WeakPolarHBondContact O-CG 3.4Å; F252-L256 WeakPolarHBondContact O-CB 3.45Å; F252-L256 WeakPolarHBondContact O-CD1 3.44Å; F252-L256 WeakPolarHBondContact O-CG 3.3Å; F252-L256 PolarHBondContact O-N 2.92Å
253I90.3Very high91.2Very high0 Ų067.2 Ų67.20%033%0.327CS..Iπ-helixtrans-67.3-46.3-175.6-57.6-176.3000110.6V216 M220 L221 Y224 I248 V249 L256 S257V216-I253 HydrophobicContact CG1-CD1 4.41Å; V216-I253 HydrophobicContact CG1-CG1 3.96Å; M220-I253 HydrophobicContact CB-CD1 3.87Å; L221-I253 HydrophobicContact CB-CG2 4.35Å; L221-I253 HydrophobicContact CG-CG2 4.4Å; Y224-I253 HydrophobicContact CD1-CG2 3.61Å; Y224-I253 HydrophobicContact CE1-CG2 4.39Å; Y224-I253 HydrophobicContact CG-CG2 3.75Å; I248-I253 HydrophobicContact CD1-CD1 4.46Å; I248-I253 PolarHBondContact O-N 3.44Å; V249-I253 HydrophobicContact CB-CD1 4.42Å; V249-I253 HydrophobicContact CG1-CB 4.45Å; V249-I253 HydrophobicContact CG2-CD1 4.1Å; V249-I253 WeakPolarHBondContact O-CB 3.33Å; V249-I253 PolarHBondContact O-N 2.87Å; I253-L256 PolarHBondContact O-N 3.33Å; I253-L256 VanDerWaalsContact O-N 3.14Å; I253-S257 PolarHBondContact O-N 3.32Å; I253-S257 PolarHBondContact O-OG 2.76Å; I253-S257 VanDerWaalsContact O-OG 3.07Å
254K90.6Very high91.5Very high107 Ų10758 Ų5847%0.46529%0.29SS..Hα-helixtrans-52.9-52.2179-166.5-178.9-176.81770113.9V249 S257 H261V249-K254 PolarHBondContact O-N 3.15Å; K254-S257 PolarHBondContact O-N 3.19Å; K254-S257 PolarHBondContact O-OG 3.21Å; K254-H261 WeakPolarHBondContact CG-NE2 3.24Å
255P92.8Very high91.7Very high79 Ų7957.4 Ų57.451%0.51329%0.292SS..Hα-helixtrans-68.8-31.6177.224.9-33.5000113.2R251 F252 S257 N258R251-P255 WeakPolarHBondContact O-CG 3.35Å; F252-P255 VanDerWaalsContact O-CD 3.24Å; F252-P255 WeakPolarHBondContact O-CD 3.37Å; F252-P255 VanDerWaalsContact O-CG 3.27Å; F252-P255 WeakPolarHBondContact O-CG 3.4Å; P255-S257 VanDerWaalsContact C-N 3.27Å; P255-S257 PolarHBondContact O-N 3.03Å; P255-N258 WeakPolarHBondContact O-CB 3.26Å; P255-N258 PolarHBondContact O-N 2.71Å
256L91.8Very high91.9Very high115 Ų11556.8 Ų56.860%0.60229%0.288SS*.Hα-helixtrans-67.6-27.8176-71.2169.4000112.6L221 F252 I253L221-L256 HydrophobicContact CD1-CB 3.8Å; L221-L256 HydrophobicContact CD1-CD1 3.72Å; L221-L256 HydrophobicContact CD1-CG 4.39Å; F252-L256 WeakPolarHBondContact O-CB 3.45Å; F252-L256 WeakPolarHBondContact O-CD1 3.44Å; F252-L256 WeakPolarHBondContact O-CG 3.3Å; F252-L256 PolarHBondContact O-N 2.92Å; I253-L256 PolarHBondContact O-N 3.33Å; I253-L256 VanDerWaalsContact O-N 3.14Å
257S92.6Very high92.2Very high1 Ų156.1 Ų56.11%0.00728%0.284CS..THydrogen-bonded Turntrans-99.230175.962.10000113.5Y224 I253 K254 P255 A259 Y260 H261Y224-S257 WeakPolarHBondContact CD1-OG 3.4Å; Y224-S257 VanDerWaalsContact CE1-OG 3.31Å; Y224-S257 WeakPolarHBondContact CE1-OG 3.45Å; I253-S257 PolarHBondContact O-N 3.32Å; I253-S257 PolarHBondContact O-OG 2.76Å; I253-S257 VanDerWaalsContact O-OG 3.07Å; K254-S257 PolarHBondContact O-N 3.19Å; K254-S257 PolarHBondContact O-OG 3.21Å; P255-S257 VanDerWaalsContact C-N 3.27Å; P255-S257 PolarHBondContact O-N 3.03Å; S257-A259 VanDerWaalsContact C-N 3.28Å; S257-A259 PolarHBondContact O-N 3.1Å; S257-Y260 WeakPolarHBondContact O-CB 3.35Å; S257-Y260 PolarHBondContact O-N 3.35Å; S257-H261 PolarHBondContact O-N 2.9Å
258N94.1Very high92.4Very high96 Ų9652 Ų5251%0.51327%0.273SS..Hα-helixtrans-55-38.8-174.6-171.356.9000113.9P255 Y260 H261 E262P255-N258 WeakPolarHBondContact O-CB 3.26Å; P255-N258 PolarHBondContact O-N 2.71Å; N258-Y260 PolarHBondContact O-N 2.99Å; N258-H261 PolarHBondContact O-N 3.31Å; N258-E262 PolarHBondContact O-N 3.48Å
259A94.8Very high92.6Very high10 Ų1054.6 Ų54.68%0.08329%0.289CS..Hα-helixtrans-58.1-32.9177.800000113.1S257 L263 H282 T285S257-A259 VanDerWaalsContact C-N 3.28Å; S257-A259 PolarHBondContact O-N 3.1Å; A259-L263 WeakPolarHBondContact O-CB 3.14Å; A259-L263 PolarHBondContact O-N 3.48Å; A259-H282 HydrophobicContact CB-CB 4.28Å; A259-T285 HydrophobicContact CB-CG2 4.27Å
260Y95.6Very high92.8Very high2 Ų256 Ų561%0.00830%0.297CS..Hα-helixtrans-77.5-31.1177.6-64.8-98.7000111.9K225 L229 S257 N258 L263 A264 F286 D289 N291K225-Y260 HydrophobicContact CB-CD1 4.08Å; K225-Y260 HydrophobicContact CB-CD2 4.3Å; K225-Y260 HydrophobicContact CB-CE1 3.78Å; K225-Y260 HydrophobicContact CB-CE2 4.03Å; K225-Y260 HydrophobicContact CB-CG 4.33Å; K225-Y260 HydrophobicContact CD-CD2 4.29Å; K225-Y260 HydrophobicContact CD-CE2 3.57Å; K225-Y260 HydrophobicContact CG-CD1 4.42Å; K225-Y260 HydrophobicContact CG-CD2 3.75Å; K225-Y260 HydrophobicContact CG-CE1 4.21Å; K225-Y260 HydrophobicContact CG-CE2 3.51Å; K225-Y260 HydrophobicContact CG-CG 4.21Å; L229-Y260 HydrophobicContact CD1-CD1 4.17Å; L229-Y260 HydrophobicContact CD1-CE1 3.68Å; L229-Y260 HydrophobicContact CD2-CD1 4.08Å; L229-Y260 HydrophobicContact CD2-CE1 4.26Å; L229-Y260 HydrophobicContact CG-CD1 3.95Å; L229-Y260 HydrophobicContact CG-CE1 3.99Å; S257-Y260 WeakPolarHBondContact O-CB 3.35Å; S257-Y260 PolarHBondContact O-N 3.35Å; N258-Y260 PolarHBondContact O-N 2.99Å; Y260-L263 WeakPolarHBondContact O-CB 3.49Å; Y260-A264 PolarHBondContact O-N 3.31Å; Y260-F286 HydrophobicContact CD1-CE1 4.03Å; Y260-F286 HydrophobicContact CD2-CE1 4.35Å; Y260-F286 AromaticContact CE1-CD1 3.93Å; Y260-F286 HydrophobicContact CE1-CD1 3.93Å; Y260-F286 AromaticContact CE1-CE1 3.81Å; Y260-F286 HydrophobicContact CE1-CE1 3.81Å; Y260-F286 HydrophobicContact CE2-CD1 4.29Å; Y260-F286 HydrophobicContact CE2-CE1 4.13Å; Y260-F286 HydrophobicContact CG-CE1 4.3Å; Y260-F286 AromaticContact CZ-CD1 3.75Å; Y260-F286 AromaticContact CZ-CE1 3.87Å; Y260-D289 VanDerWaalsContact CE2-OD2 3.26Å; Y260-D289 WeakPolarHBondContact CE2-OD2 3.42Å; Y260-D289 VanDerWaalsContact OH-CB 3.26Å; Y260-D289 WeakPolarHBondContact OH-CB 3.44Å; Y260-D289 PolarHBondContact OH-OD2 2.93Å; Y260-N291 PolarHBondContact OH-ND2 3.12Å; Y260-N291 VanDerWaalsContact OH-ND2 3.11Å
261H94.4Very high93Very high39 Ų3956.2 Ų56.218%0.18129%0.286CS..Hα-helixtrans-72.4-41171.5-76.1-66.1000112.6Y224 K254 S257 N258 L263 A264 Q265Y224-H261 AromaticContact CE1-NE2 3.36Å; Y224-H261 WeakPolarHBondContact CE1-NE2 3.34Å; Y224-H261 AromaticContact CZ-CE1 3.93Å; Y224-H261 AromaticContact CZ-NE2 3.67Å; Y224-H261 PolarHBondContact OH-CE1 3.05Å; Y224-H261 PolarHBondContact OH-NE2 3.27Å; Y224-H261 VanDerWaalsContact OH-NE2 3.16Å; K254-H261 WeakPolarHBondContact CG-NE2 3.24Å; S257-H261 PolarHBondContact O-N 2.9Å; N258-H261 PolarHBondContact O-N 3.31Å; H261-L263 PolarHBondContact O-N 3.21Å; H261-A264 PolarHBondContact O-N 3.14Å; H261-Q265 WeakPolarHBondContact O-CB 3.24Å; H261-Q265 PolarHBondContact O-N 3.4Å
262E94.9Very high93.1Very high43 Ų4347.2 Ų47.220%0.20125%0.252CS..Hα-helixtrans-59.5-40.6172.2-161.5178.8167.600109.6N258 Q265 V266 L278 K281 H282N258-E262 PolarHBondContact O-N 3.48Å; E262-Q265 PolarHBondContact O-N 2.83Å; E262-V266 WeakPolarHBondContact O-CG2 3.33Å; E262-V266 PolarHBondContact O-N 3.43Å; E262-L278 HydrophobicContact CB-CD2 4.29Å; E262-L278 VanDerWaalsContact CD-CD1 3.47Å; E262-L278 HydrophobicContact CG-CD1 3.71Å; E262-L278 HydrophobicContact CG-CD2 4.11Å; E262-L278 WeakPolarHBondContact OE1-CD1 3.33Å; E262-K281 IonicContact OE1-NZ 3.73Å; E262-K281 PolarHBondContact OE1-NZ 3.19Å; E262-K281 IonicContact OE2-NZ 3.01Å; E262-H282 IonicContact OE1-NE2 2.82Å; E262-H282 IonicContact OE2-CD2 3.86Å; E262-H282 IonicContact OE2-CE1 2.76Å; E262-H282 IonicContact OE2-NE2 3.97Å; E262-H282 PolarHBondContact OE2-NE2 3.32Å
263L94.6Very high93.1Very high1 Ų145.4 Ų45.41%0.00526%0.255CS..Hα-helixtrans-58.8-49.2172.5-171.380.8000111.9L229 L232 A259 Y260 H261 Q265 V266 Y267 L275 L278 V279 F286 V295L229-L263 HydrophobicContact CD2-CD2 3.61Å; L232-L263 HydrophobicContact CD1-CD2 4.22Å; A259-L263 WeakPolarHBondContact O-CB 3.14Å; A259-L263 PolarHBondContact O-N 3.48Å; Y260-L263 WeakPolarHBondContact O-CB 3.49Å; H261-L263 PolarHBondContact O-N 3.21Å; L263-Q265 VanDerWaalsContact C-N 3.31Å; L263-Q265 PolarHBondContact O-N 2.89Å; L263-V266 PolarHBondContact O-N 3.23Å; L263-Y267 VanDerWaalsContact O-CB 3.29Å; L263-Y267 WeakPolarHBondContact O-CB 3.48Å; L263-Y267 PolarHBondContact O-N 3.5Å; L263-L275 HydrophobicContact CD1-CD1 3.53Å; L263-L275 HydrophobicContact CD1-CG 4.31Å; L263-L275 HydrophobicContact CG-CD1 4.13Å; L263-L278 VanDerWaalsContact CA-CD2 3.45Å; L263-L278 HydrophobicContact CB-CD2 4.18Å; L263-L278 HydrophobicContact CD1-CD2 4.21Å; L263-V279 HydrophobicContact CD1-CG2 3.81Å; L263-F286 HydrophobicContact CD1-CZ 4.43Å; L263-F286 HydrophobicContact CD2-CZ 4.5Å; L263-V295 HydrophobicContact CD1-CG1 4.39Å; L263-V295 HydrophobicContact CD2-CG1 4.47Å
264A94.3Very high93.2Very high16 Ų1649.6 Ų49.613%0.13227%0.274CS..Hα-helixtrans-63.4-35.7177.300000112.9I228 L232 V238 Y260 H261 Y267 S268I228-A264 HydrophobicContact CG2-CB 4.35Å; L232-A264 HydrophobicContact CD1-CB 4.22Å; L232-A264 HydrophobicContact CD2-CB 4.22Å; V238-A264 HydrophobicContact CG2-CB 3.53Å; Y260-A264 PolarHBondContact O-N 3.31Å; H261-A264 PolarHBondContact O-N 3.14Å; A264-Y267 WeakPolarHBondContact O-CB 3.28Å; A264-Y267 PolarHBondContact O-N 3.34Å; A264-S268 PolarHBondContact O-N 3.46Å; A264-S268 VanDerWaalsContact O-N 3.13Å
265Q94.3Very high93.3Very high137 Ų13744.5 Ų44.564%0.6425%0.252SS*.Hα-helixtrans-66.3-48.9176.8-175.4176.2-0.200111H261 E262 L263 Y267 S268H261-Q265 WeakPolarHBondContact O-CB 3.24Å; H261-Q265 PolarHBondContact O-N 3.4Å; E262-Q265 PolarHBondContact O-N 2.83Å; L263-Q265 VanDerWaalsContact C-N 3.31Å; L263-Q265 PolarHBondContact O-N 2.89Å; Q265-Y267 VanDerWaalsContact C-N 3.3Å; Q265-Y267 PolarHBondContact O-N 3.13Å; Q265-S268 WeakPolarHBondContact O-CB 3.37Å; Q265-S268 PolarHBondContact O-N 2.69Å; Q265-S268 VanDerWaalsContact O-N 3.1Å; Q265-S268 PolarHBondContact O-OG 3.06Å
266V94.6Very high93.3Very high14 Ų1446.7 Ų46.79%0.08525%0.25CS..Hα-helixtrans-65-35.9175.1176.10000111E262 L263 S268 T269 E274 L275 L278E262-V266 WeakPolarHBondContact O-CG2 3.33Å; E262-V266 PolarHBondContact O-N 3.43Å; L263-V266 PolarHBondContact O-N 3.23Å; V266-S268 PolarHBondContact O-N 2.89Å; V266-T269 PolarHBondContact O-N 3.37Å; V266-T269 VanDerWaalsContact O-N 3.07Å; V266-T269 PolarHBondContact O-OG1 3.14Å; V266-E274 HydrophobicContact CG1-CB 3.95Å; V266-E274 HydrophobicContact CG1-CG 3.7Å; V266-L275 HydrophobicContact CB-CD1 4.12Å; V266-L275 HydrophobicContact CG1-CB 4.03Å; V266-L275 HydrophobicContact CG1-CD1 3.91Å; V266-L278 HydrophobicContact CB-CD2 4.14Å; V266-L278 HydrophobicContact CG2-CD2 3.87Å
267Y94.3Very high93.4Very high2 Ų245.1 Ų45.11%0.00825%0.249CC..Hα-helixtrans-58.3-32.6173.9-162.2-81.4000112.4L232 G236 L263 A264 Q265 T269 N270 L275 C298 S301 L302 K305L232-Y267 HydrophobicContact CB-CE2 4.4Å; L232-Y267 HydrophobicContact CD1-CD2 4.38Å; L232-Y267 HydrophobicContact CD1-CG 4.49Å; L232-Y267 HydrophobicContact CD2-CD1 3.83Å; L232-Y267 HydrophobicContact CD2-CD2 4.34Å; L232-Y267 HydrophobicContact CD2-CE1 4.35Å; L232-Y267 HydrophobicContact CD2-CG 3.84Å; L232-Y267 PolarHBondContact O-OH 3.23Å; G236-Y267 WeakPolarHBondContact O-CE1 3.36Å; L263-Y267 VanDerWaalsContact O-CB 3.29Å; L263-Y267 WeakPolarHBondContact O-CB 3.48Å; L263-Y267 PolarHBondContact O-N 3.5Å; A264-Y267 WeakPolarHBondContact O-CB 3.28Å; A264-Y267 PolarHBondContact O-N 3.34Å; Q265-Y267 VanDerWaalsContact C-N 3.3Å; Q265-Y267 PolarHBondContact O-N 3.13Å; Y267-T269 VanDerWaalsContact C-N 3.32Å; Y267-T269 PolarHBondContact O-N 3.45Å; Y267-N270 PolarHBondContact O-N 2.83Å; Y267-L275 HydrophobicContact CD2-CD2 3.88Å; Y267-L275 HydrophobicContact CE2-CD2 4.44Å; Y267-C298 HydrophobicContact CE2-CB 4.41Å; Y267-C298 WeakPolarHBondContact CE2-O 3.35Å; Y267-S301 PolarHBondContact OH-OG 3.03Å; Y267-L302 HydrophobicContact CD1-CD1 3.99Å; Y267-L302 HydrophobicContact CD2-CB 4.34Å; Y267-L302 HydrophobicContact CD2-CD1 4.11Å; Y267-L302 HydrophobicContact CE1-CD1 3.78Å; Y267-L302 HydrophobicContact CE2-CB 3.72Å; Y267-L302 HydrophobicContact CE2-CD1 3.91Å; Y267-L302 HydrophobicContact CE2-CG 4.35Å; Y267-L302 HydrophobicContact CG-CD1 4.14Å; Y267-L302 PolarHBondContact OH-N 2.83Å; Y267-K305 HydrophobicContact CE1-CD 3.84Å
268S92.6Very high93.4Very high76 Ų7645.6 Ų45.653%0.53125%0.251SS..Hα-helixtrans-70-24.7178.6800000113.8A264 Q265 V266 N270A264-S268 PolarHBondContact O-N 3.46Å; A264-S268 VanDerWaalsContact O-N 3.13Å; Q265-S268 WeakPolarHBondContact O-CB 3.37Å; Q265-S268 PolarHBondContact O-N 2.69Å; Q265-S268 VanDerWaalsContact O-N 3.1Å; Q265-S268 PolarHBondContact O-OG 3.06Å; V266-S268 PolarHBondContact O-N 2.89Å; S268-N270 PolarHBondContact O-N 3.12Å; S268-N270 PolarHBondContact O-ND2 3.26Å
269T92.6Very high93.4Very high71 Ų7142 Ų4244%0.43623%0.233SC..Hα-helixtrans-72.8-18.2176.274.80000112V266 Y267 N271 E274V266-T269 PolarHBondContact O-N 3.37Å; V266-T269 VanDerWaalsContact O-N 3.07Å; V266-T269 PolarHBondContact O-OG1 3.14Å; Y267-T269 VanDerWaalsContact C-N 3.32Å; Y267-T269 PolarHBondContact O-N 3.45Å; T269-N271 PolarHBondContact O-N 3.01Å; T269-N271 PolarHBondContact OG1-N 2.78Å; T269-E274 PolarHBondContact OG1-OE2 3.36Å; T269-E274 VanDerWaalsContact OG1-OE2 3.12Å
270N91.4Very high93.3Very high34 Ų3446.9 Ų46.918%0.18226%0.257CS..THydrogen-bonded Turntrans65.620-178.1-43-88.9000114.5Y267 S268 P272 K305 N306 R309Y267-N270 PolarHBondContact O-N 2.83Å; S268-N270 PolarHBondContact O-N 3.12Å; S268-N270 PolarHBondContact O-ND2 3.26Å; N270-P272 WeakPolarHBondContact O-CD 3.48Å; N270-K305 PolarHBondContact OD1-NZ 3.39Å; N270-N306 PolarHBondContact O-ND2 3.32Å; N270-R309 PolarHBondContact ND2-NH1 3.11Å; N270-R309 PolarHBondContact OD1-NH1 2.84Å; N270-R309 VanDerWaalsContact OD1-NH1 3.17Å
271N92.2Very high93.3Very high53 Ų5353.3 Ų53.328%0.28329%0.285SS..  trans-97.3107.8179.2-171.2-16.7000111.3T269 A273 E274 L275 Q327T269-N271 PolarHBondContact O-N 3.01Å; T269-N271 PolarHBondContact OG1-N 2.78Å; N271-A273 PolarHBondContact O-N 3.33Å; N271-A273 PolarHBondContact OD1-N 3.33Å; N271-E274 HydrophobicContact CB-CB 3.97Å; N271-E274 PolarHBondContact O-N 3.15Å; N271-E274 PolarHBondContact OD1-N 3.43Å; N271-L275 PolarHBondContact O-N 2.71Å; N271-L275 VanDerWaalsContact O-N 3.1Å; N271-Q327 PolarHBondContact OD1-OE1 2.97Å
272P91Very high93.3Very high1 Ų153 Ų531%0.00628%0.284CS..Hα-helixtrans-71.3-28.7-176.328.7-34.4000113.4N270 R276 L302 Y303 Q327N270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-R276 WeakPolarHBondContact O-CB 3.31Å; P272-R276 PolarHBondContact O-N 2.81Å; P272-L302 HydrophobicContact CB-CD2 4.23Å; P272-Y303 HydrophobicContact CB-CD1 4.31Å; P272-Y303 HydrophobicContact CB-CE1 3.62Å; P272-Y303 HydrophobicContact CB-CE2 4.19Å; P272-Y303 HydrophobicContact CG-CD1 4.46Å; P272-Y303 HydrophobicContact CG-CE1 3.75Å; P272-Q327 HydrophobicContact CG-CB 4Å; P272-Q327 HydrophobicContact CG-CG 4.38Å; P272-Q327 VanDerWaalsContact CG-OE1 3.3Å
273A91.2Very high93.2Very high56 Ų5654.6 Ų54.646%0.46329%0.294SS..Hα-helixtrans-67.9-42.7176.800000111.6N271 R276 S277N271-A273 PolarHBondContact O-N 3.33Å; N271-A273 PolarHBondContact OD1-N 3.33Å; A273-R276 PolarHBondContact O-N 3.49Å; A273-S277 PolarHBondContact O-N 3.41Å
274E92.8Very high93.2Very high88 Ų8862.6 Ų62.641%0.41133%0.331SS..Hα-helixtrans-64.4-43.9175.2-166.8-179.6-167.800111V266 T269 N271 R276 S277 L278V266-E274 HydrophobicContact CG1-CB 3.95Å; V266-E274 HydrophobicContact CG1-CG 3.7Å; T269-E274 PolarHBondContact OG1-OE2 3.36Å; T269-E274 VanDerWaalsContact OG1-OE2 3.12Å; N271-E274 HydrophobicContact CB-CB 3.97Å; N271-E274 PolarHBondContact O-N 3.15Å; N271-E274 PolarHBondContact OD1-N 3.43Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.94Å; E274-S277 WeakPolarHBondContact O-CB 3.22Å; E274-S277 PolarHBondContact O-N 3Å; E274-L278 PolarHBondContact O-N 3.44Å
275L92.2Very high93.2Very high1 Ų163.6 Ų63.61%0.00534%0.335CS..Hα-helixtrans-60.7-42.3176-166.868.8000111.3L263 V266 Y267 N271 L278 V279 L299 L302L263-L275 HydrophobicContact CD1-CD1 3.53Å; L263-L275 HydrophobicContact CD1-CG 4.31Å; L263-L275 HydrophobicContact CG-CD1 4.13Å; V266-L275 HydrophobicContact CB-CD1 4.12Å; V266-L275 HydrophobicContact CG1-CB 4.03Å; V266-L275 HydrophobicContact CG1-CD1 3.91Å; Y267-L275 HydrophobicContact CD2-CD2 3.88Å; Y267-L275 HydrophobicContact CE2-CD2 4.44Å; N271-L275 PolarHBondContact O-N 2.71Å; N271-L275 VanDerWaalsContact O-N 3.1Å; L275-L278 PolarHBondContact O-N 3.28Å; L275-V279 VanDerWaalsContact O-CG2 3.27Å; L275-V279 WeakPolarHBondContact O-CG2 3.46Å; L275-V279 PolarHBondContact O-N 3.5Å; L275-L299 HydrophobicContact CB-CD1 4.17Å; L275-L299 HydrophobicContact CD2-CD1 3.83Å; L275-L299 HydrophobicContact CG-CD1 4.2Å; L275-L302 HydrophobicContact CB-CD2 4.2Å; L275-L302 HydrophobicContact CD2-CB 4.32Å; L275-L302 HydrophobicContact CD2-CD2 3.62Å
276R92.6Very high93.2Very high125 Ų12557.1 Ų57.147%0.47231%0.305SS..Hα-helixtrans-63.1-42176.5-169.3-178.6-63.5-178.2-0.7112.1P272 A273 E274 L278 V279 N280 Y303P272-R276 WeakPolarHBondContact O-CB 3.31Å; P272-R276 PolarHBondContact O-N 2.81Å; A273-R276 PolarHBondContact O-N 3.49Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.94Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-V279 PolarHBondContact O-N 3.09Å; R276-N280 VanDerWaalsContact O-CG 3.3Å; R276-N280 PolarHBondContact O-N 3.06Å; R276-N280 PolarHBondContact O-ND2 3.27Å; R276-Y303 PolarHBondContact NH2-OH 2.99Å
277S93.9Very high93.2Very high81 Ų8159.9 Ų59.957%0.56632%0.322SS*.Hα-helixtrans-60.1-44.3174.8-175.10000111.5A273 E274 N280 K281A273-S277 PolarHBondContact O-N 3.41Å; E274-S277 WeakPolarHBondContact O-CB 3.22Å; E274-S277 PolarHBondContact O-N 3Å; S277-N280 PolarHBondContact O-N 3.43Å; S277-K281 PolarHBondContact O-N 3.39Å
278L93.9Very high93.2Very high11 Ų1168.4 Ų68.46%0.05835%0.354CS..Hα-helixtrans-65.1-41.8177.7-170.978.4000112.6E262 L263 V266 E274 L275 R276 N280 K281 H282E262-L278 HydrophobicContact CB-CD2 4.29Å; E262-L278 VanDerWaalsContact CD-CD1 3.47Å; E262-L278 HydrophobicContact CG-CD1 3.71Å; E262-L278 HydrophobicContact CG-CD2 4.11Å; E262-L278 WeakPolarHBondContact OE1-CD1 3.33Å; L263-L278 VanDerWaalsContact CA-CD2 3.45Å; L263-L278 HydrophobicContact CB-CD2 4.18Å; L263-L278 HydrophobicContact CD1-CD2 4.21Å; V266-L278 HydrophobicContact CB-CD2 4.14Å; V266-L278 HydrophobicContact CG2-CD2 3.87Å; E274-L278 PolarHBondContact O-N 3.44Å; L275-L278 PolarHBondContact O-N 3.28Å; R276-L278 VanDerWaalsContact C-N 3.34Å; L278-N280 VanDerWaalsContact C-N 3.26Å; L278-N280 PolarHBondContact O-N 3.27Å; L278-K281 HydrophobicContact CD1-CD 4.17Å; L278-K281 WeakPolarHBondContact O-CB 3.26Å; L278-K281 PolarHBondContact O-N 3.07Å; L278-H282 PolarHBondContact O-N 3.04Å
279V93.3Very high93.2Very high22 Ų2265.5 Ų65.513%0.13333%0.333CS..Hα-helixtrans-60.2-40175.7171.20000110.8L263 L275 R276 N283 V295L263-V279 HydrophobicContact CD1-CG2 3.81Å; L275-V279 VanDerWaalsContact O-CG2 3.27Å; L275-V279 WeakPolarHBondContact O-CG2 3.46Å; L275-V279 PolarHBondContact O-N 3.5Å; R276-V279 PolarHBondContact O-N 3.09Å; V279-N283 WeakPolarHBondContact O-CA 3.29Å; V279-N283 WeakPolarHBondContact O-CB 3.32Å; V279-N283 PolarHBondContact O-N 2.97Å; V279-V295 HydrophobicContact CB-CG1 4.29Å; V279-V295 HydrophobicContact CG1-CG1 3.82Å; V279-V295 HydrophobicContact CG2-CG1 3.45Å; V279-V295 VanDerWaalsContact CG2-CG1 3.45Å
280N93.8Very high93.2Very high111 Ų11168.9 Ų68.959%0.59435%0.348SS*.Hα-helixtrans-67.4-41.2175-68.3-21000112.1R276 S277 L278 H282 N283R276-N280 VanDerWaalsContact O-CG 3.3Å; R276-N280 PolarHBondContact O-N 3.06Å; R276-N280 PolarHBondContact O-ND2 3.27Å; S277-N280 PolarHBondContact O-N 3.43Å; L278-N280 VanDerWaalsContact C-N 3.26Å; L278-N280 PolarHBondContact O-N 3.27Å; N280-H282 PolarHBondContact O-N 2.95Å; N280-N283 WeakPolarHBondContact O-CB 3.47Å; N280-N283 PolarHBondContact O-N 3.33Å
281K94.9Very high93.2Very high137 Ų13767.4 Ų67.460%0.59634%0.34SS*.Hα-helixtrans-58.7-43.3176.8178.1-172171.7-169.20112.4E262 S277 L278E262-K281 IonicContact OE1-NZ 3.73Å; E262-K281 PolarHBondContact OE1-NZ 3.19Å; E262-K281 IonicContact OE2-NZ 3.01Å; S277-K281 PolarHBondContact O-N 3.39Å; L278-K281 HydrophobicContact CD1-CD 4.17Å; L278-K281 WeakPolarHBondContact O-CB 3.26Å; L278-K281 PolarHBondContact O-N 3.07Å
282H94.4Very high93.2Very high34 Ų3467.2 Ų67.216%0.15734%0.341CS..THydrogen-bonded Turntrans-103.118.5-177.6-70.7-67.1000113.7A259 E262 L278 N280 E284 T285 F286A259-H282 HydrophobicContact CB-CB 4.28Å; E262-H282 IonicContact OE1-NE2 2.82Å; E262-H282 IonicContact OE2-CD2 3.86Å; E262-H282 IonicContact OE2-CE1 2.76Å; E262-H282 IonicContact OE2-NE2 3.97Å; E262-H282 PolarHBondContact OE2-NE2 3.32Å; L278-H282 PolarHBondContact O-N 3.04Å; N280-H282 PolarHBondContact O-N 2.95Å; H282-E284 VanDerWaalsContact C-N 3.29Å; H282-E284 PolarHBondContact O-N 3.04Å; H282-T285 WeakPolarHBondContact O-CB 3.28Å; H282-T285 PolarHBondContact O-N 3.17Å; H282-F286 HydrophobicContact CB-CD2 4.13Å; H282-F286 HydrophobicContact CB-CE2 3.61Å; H282-F286 HydrophobicContact CB-CZ 4.15Å; H282-F286 WeakPolarHBondContact O-CD2 3.1Å; H282-F286 PolarHBondContact O-N 3.37Å; H282-F286 VanDerWaalsContact O-N 3.13Å
283N93.2Very high93.3Very high76 Ų7669.1 Ų69.141%0.40636%0.361SS..Hα-helixtrans-58.6-38.9-173.3-173.337.6000113V279 N280 T285 F286 T287V279-N283 WeakPolarHBondContact O-CA 3.29Å; V279-N283 WeakPolarHBondContact O-CB 3.32Å; V279-N283 PolarHBondContact O-N 2.97Å; N280-N283 WeakPolarHBondContact O-CB 3.47Å; N280-N283 PolarHBondContact O-N 3.33Å; N283-T285 VanDerWaalsContact C-N 3.33Å; N283-T285 PolarHBondContact O-N 3.25Å; N283-F286 PolarHBondContact O-N 3.45Å; N283-T287 WeakPolarHBondContact O-CB 3.37Å; N283-T287 PolarHBondContact O-N 2.85Å; N283-T287 PolarHBondContact O-OG1 3.49Å
284E94.4Very high93.4Very high169 Ų16967.5 Ų67.579%0.7935%0.345SS*.Hα-helixtrans-61-42176.6-64.8-179-178.200111.8H282 T287 R288H282-E284 VanDerWaalsContact C-N 3.29Å; H282-E284 PolarHBondContact O-N 3.04Å; E284-T287 PolarHBondContact O-N 3.09Å; E284-R288 VanDerWaalsContact O-CB 3.31Å; E284-R288 WeakPolarHBondContact O-CB 3.22Å; E284-R288 PolarHBondContact O-N 3.34Å
285T94.1Very high93.5Very high36 Ų3663.4 Ų63.422%0.22133%0.326CS..Hα-helixtrans-63.1-47.9177.1-56.80000111.1A259 H282 N283 T287 R288 D289A259-T285 HydrophobicContact CB-CG2 4.27Å; H282-T285 WeakPolarHBondContact O-CB 3.28Å; H282-T285 PolarHBondContact O-N 3.17Å; N283-T285 VanDerWaalsContact C-N 3.33Å; N283-T285 PolarHBondContact O-N 3.25Å; T285-T287 VanDerWaalsContact C-N 3.31Å; T285-T287 PolarHBondContact O-N 3.22Å; T285-R288 PolarHBondContact O-N 3.38Å; T285-D289 WeakPolarHBondContact O-CB 3.5Å; T285-D289 PolarHBondContact O-N 3.11Å
286F93.6Very high93.5Very high2 Ų270.6 Ų70.61%0.00936%0.357CS..Hα-helixtrans-67-33179.5-62.1-52.9000112.9Y260 L263 H282 N283 N290 N291 T292 V295Y260-F286 HydrophobicContact CD1-CE1 4.03Å; Y260-F286 HydrophobicContact CD2-CE1 4.35Å; Y260-F286 AromaticContact CE1-CD1 3.93Å; Y260-F286 HydrophobicContact CE1-CD1 3.93Å; Y260-F286 AromaticContact CE1-CE1 3.81Å; Y260-F286 HydrophobicContact CE1-CE1 3.81Å; Y260-F286 HydrophobicContact CE2-CD1 4.29Å; Y260-F286 HydrophobicContact CE2-CE1 4.13Å; Y260-F286 HydrophobicContact CG-CE1 4.3Å; Y260-F286 AromaticContact CZ-CD1 3.75Å; Y260-F286 AromaticContact CZ-CE1 3.87Å; L263-F286 HydrophobicContact CD1-CZ 4.43Å; L263-F286 HydrophobicContact CD2-CZ 4.5Å; H282-F286 HydrophobicContact CB-CD2 4.13Å; H282-F286 HydrophobicContact CB-CE2 3.61Å; H282-F286 HydrophobicContact CB-CZ 4.15Å; H282-F286 WeakPolarHBondContact O-CD2 3.1Å; H282-F286 PolarHBondContact O-N 3.37Å; H282-F286 VanDerWaalsContact O-N 3.13Å; N283-F286 PolarHBondContact O-N 3.45Å; F286-N290 PolarHBondContact O-N 3.03Å; F286-N291 PolarHBondContact O-N 3.28Å; F286-T292 HydrophobicContact CB-CG2 4Å; F286-V295 HydrophobicContact CB-CG2 4.29Å; F286-V295 HydrophobicContact CD1-CG2 3.63Å; F286-V295 HydrophobicContact CD2-CG1 4.31Å; F286-V295 HydrophobicContact CD2-CG2 4.28Å; F286-V295 HydrophobicContact CE1-CG2 3.95Å; F286-V295 HydrophobicContact CE2-CG1 4.3Å; F286-V295 HydrophobicContact CG-CG2 3.82Å; F286-V295 HydrophobicContact CZ-CG2 4.41Å
287T94.4Very high93.6Very high71 Ų7167.6 Ų67.644%0.43635%0.348SS..Hα-helixtrans-70.4-45176.3-55.60000110.9N283 E284 T285 D289 N290 T292N283-T287 WeakPolarHBondContact O-CB 3.37Å; N283-T287 PolarHBondContact O-N 2.85Å; N283-T287 PolarHBondContact O-OG1 3.49Å; E284-T287 PolarHBondContact O-N 3.09Å; T285-T287 VanDerWaalsContact C-N 3.31Å; T285-T287 PolarHBondContact O-N 3.22Å; T287-D289 VanDerWaalsContact C-N 3.25Å; T287-D289 PolarHBondContact O-N 3.35Å; T287-N290 PolarHBondContact O-N 3.02Å; T287-T292 WeakPolarHBondContact OG1-CG2 3.27Å
288R94.7Very high93.5Very high181 Ų18163.8 Ų63.868%0.68332%0.321SS*.Hα-helixtrans-58.2-38.9174.6-177.8177.563-165.9-4.9112.2E284 T285 N290E284-R288 VanDerWaalsContact O-CB 3.31Å; E284-R288 WeakPolarHBondContact O-CB 3.22Å; E284-R288 PolarHBondContact O-N 3.34Å; T285-R288 PolarHBondContact O-N 3.38Å; R288-N290 PolarHBondContact O-N 3.45Å
289D92.4Very high93.5Very high15 Ų1564.6 Ų64.68%0.0833%0.326CS..THydrogen-bonded Turntrans-80.4-1.8178.7-63.3-15.6000113.5K225 Y260 T285 T287 N291K225-D289 WeakPolarHBondContact CD-OD2 3.31Å; K225-D289 VanDerWaalsContact CE-OD2 3.23Å; K225-D289 WeakPolarHBondContact CE-OD2 3.44Å; K225-D289 IonicContact NZ-OD1 3.56Å; K225-D289 PolarHBondContact NZ-OD1 3.39Å; K225-D289 IonicContact NZ-OD2 3.44Å; K225-D289 PolarHBondContact NZ-OD2 3.26Å; Y260-D289 VanDerWaalsContact CE2-OD2 3.26Å; Y260-D289 WeakPolarHBondContact CE2-OD2 3.42Å; Y260-D289 VanDerWaalsContact OH-CB 3.26Å; Y260-D289 WeakPolarHBondContact OH-CB 3.44Å; Y260-D289 PolarHBondContact OH-OD2 2.93Å; T285-D289 WeakPolarHBondContact O-CB 3.5Å; T285-D289 PolarHBondContact O-N 3.11Å; T287-D289 VanDerWaalsContact C-N 3.25Å; T287-D289 PolarHBondContact O-N 3.35Å; D289-N291 VanDerWaalsContact O-CG 3.22Å; D289-N291 PolarHBondContact O-N 3.45Å; D289-N291 PolarHBondContact O-ND2 3.49Å; D289-N291 PolarHBondContact O-OD1 3.03Å
290N93.2Very high93.4Very high143 Ų14365.7 Ų65.777%0.76533%0.334SS*.THydrogen-bonded Turntrans56.329.3-176-60.9-70.6000114.8F286 T287 R288F286-N290 PolarHBondContact O-N 3.03Å; T287-N290 PolarHBondContact O-N 3.02Å; R288-N290 PolarHBondContact O-N 3.45Å
291N91.8Very high93.4Very high3 Ų360.9 Ų60.92%0.01631%0.31CS..  trans-111.28.9-175.2-61.2-32.4000113.4K226 L229 Y260 F286 D289 G293 L294 V295K226-N291 WeakPolarHBondContact CE-OD1 3.29Å; K226-N291 PolarHBondContact NZ-OD1 3.09Å; L229-N291 HydrophobicContact CD1-CB 3.88Å; Y260-N291 PolarHBondContact OH-ND2 3.12Å; Y260-N291 VanDerWaalsContact OH-ND2 3.11Å; F286-N291 PolarHBondContact O-N 3.28Å; D289-N291 VanDerWaalsContact O-CG 3.22Å; D289-N291 PolarHBondContact O-N 3.45Å; D289-N291 PolarHBondContact O-ND2 3.49Å; D289-N291 PolarHBondContact O-OD1 3.03Å; N291-G293 VanDerWaalsContact C-N 3.27Å; N291-G293 PolarHBondContact O-N 3.16Å; N291-L294 PolarHBondContact O-N 3.05Å; N291-V295 PolarHBondContact O-N 2.96Å; N291-V295 VanDerWaalsContact O-N 3.14Å
292T92.1Very high93.3Very high48 Ų4854.4 Ų54.429%0.29428%0.281SS..Hα-helixtrans-55.7-37.7-175.950.80000113.8F286 T287 L294 V295 K296F286-T292 HydrophobicContact CB-CG2 4Å; T287-T292 WeakPolarHBondContact OG1-CG2 3.27Å; T292-L294 VanDerWaalsContact C-N 3.35Å; T292-L294 PolarHBondContact O-N 3.4Å; T292-V295 PolarHBondContact O-N 3.35Å; T292-K296 WeakPolarHBondContact O-CG 3.36Å; T292-K296 PolarHBondContact O-N 3.24Å
293G91.8Very high93.2Very high42 Ų4253.4 Ų53.443%0.43328%0.276SS..Hα-helixtrans-61.3-42.617700000112.5N291 K296 Q297N291-G293 VanDerWaalsContact C-N 3.27Å; N291-G293 PolarHBondContact O-N 3.16Å; G293-K296 PolarHBondContact O-N 2.91Å; G293-Q297 WeakPolarHBondContact O-CG 3.45Å; G293-Q297 PolarHBondContact O-N 3.18Å
294L94Very high93.1Very high22 Ų2251.7 Ų51.712%0.11527%0.265CS..Hα-helixtrans-69.5-38.6178.6-63.3177.3000111.7T193 K226 L229 N291 T292 K296 Q297 C298T193-L294 HydrophobicContact CG2-CD1 4.12Å; T193-L294 HydrophobicContact CG2-CD2 3.43Å; T193-L294 VanDerWaalsContact CG2-CD2 3.43Å; T193-L294 HydrophobicContact CG2-CG 4.41Å; K226-L294 HydrophobicContact CG-CD1 4.29Å; L229-L294 HydrophobicContact CB-CB 4.3Å; L229-L294 HydrophobicContact CD1-CB 3.81Å; L229-L294 HydrophobicContact CD1-CD1 4.2Å; N291-L294 PolarHBondContact O-N 3.05Å; T292-L294 VanDerWaalsContact C-N 3.35Å; T292-L294 PolarHBondContact O-N 3.4Å; L294-K296 VanDerWaalsContact C-N 3.3Å; L294-K296 PolarHBondContact O-N 3.4Å; L294-Q297 CarbonylContact O-C 3.59Å; L294-Q297 WeakPolarHBondContact O-CA 3.39Å; L294-Q297 WeakPolarHBondContact O-CB 3.34Å; L294-Q297 PolarHBondContact O-N 2.68Å; L294-C298 PolarHBondContact O-N 3.22Å; L294-C298 PolarHBondContact O-SG 2.88Å
295V94.4Very high93Very high2 Ų245.8 Ų45.81%0.01224%0.237CC..Hα-helixtrans-61.5-39.9174.7177.60000111.3L229 L263 V279 F286 N291 T292 Q297 C298 L299L229-V295 HydrophobicContact CD1-CG2 4.26Å; L229-V295 HydrophobicContact CD2-CG2 3.72Å; L263-V295 HydrophobicContact CD1-CG1 4.39Å; L263-V295 HydrophobicContact CD2-CG1 4.47Å; V279-V295 HydrophobicContact CB-CG1 4.29Å; V279-V295 HydrophobicContact CG1-CG1 3.82Å; V279-V295 HydrophobicContact CG2-CG1 3.45Å; V279-V295 VanDerWaalsContact CG2-CG1 3.45Å; F286-V295 HydrophobicContact CB-CG2 4.29Å; F286-V295 HydrophobicContact CD1-CG2 3.63Å; F286-V295 HydrophobicContact CD2-CG1 4.31Å; F286-V295 HydrophobicContact CD2-CG2 4.28Å; F286-V295 HydrophobicContact CE1-CG2 3.95Å; F286-V295 HydrophobicContact CE2-CG1 4.3Å; F286-V295 HydrophobicContact CG-CG2 3.82Å; F286-V295 HydrophobicContact CZ-CG2 4.41Å; N291-V295 PolarHBondContact O-N 2.96Å; N291-V295 VanDerWaalsContact O-N 3.14Å; T292-V295 PolarHBondContact O-N 3.35Å; V295-Q297 VanDerWaalsContact C-N 3.32Å; V295-C298 WeakPolarHBondContact O-CB 3.27Å; V295-C298 PolarHBondContact O-N 3.08Å; V295-L299 PolarHBondContact O-N 2.7Å; V295-L299 VanDerWaalsContact O-N 3.07Å
296K93.1Very high92.9Very high151 Ų15145 Ų4566%0.65723%0.231SC*.Hα-helixtrans-64.1-37.9172.5-71179.4179.9-178.20111.9T292 G293 L294 C298 L299 S300T292-K296 WeakPolarHBondContact O-CG 3.36Å; T292-K296 PolarHBondContact O-N 3.24Å; G293-K296 PolarHBondContact O-N 2.91Å; L294-K296 VanDerWaalsContact C-N 3.3Å; L294-K296 PolarHBondContact O-N 3.4Å; K296-C298 VanDerWaalsContact C-N 3.35Å; K296-L299 WeakPolarHBondContact O-CB 3.3Å; K296-L299 PolarHBondContact O-N 3.18Å; K296-S300 PolarHBondContact O-N 3.34Å
297Q93.4Very high92.8Very high63 Ų6344.9 Ų44.929%0.29423%0.231SC..Hα-helixtrans-63.7-39.5172.9-71.11808.200111.6I233 G293 L294 V295 L299 S300 S301I233-Q297 HydrophobicContact CD1-CB 3.74Å; I233-Q297 HydrophobicContact CG1-CB 4.29Å; G293-Q297 WeakPolarHBondContact O-CG 3.45Å; G293-Q297 PolarHBondContact O-N 3.18Å; L294-Q297 CarbonylContact O-C 3.59Å; L294-Q297 WeakPolarHBondContact O-CA 3.39Å; L294-Q297 WeakPolarHBondContact O-CB 3.34Å; L294-Q297 PolarHBondContact O-N 2.68Å; V295-Q297 VanDerWaalsContact C-N 3.32Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.03Å; Q297-S300 WeakPolarHBondContact CA-OG 3.25Å; Q297-S300 CarbonylContact O-C 3.55Å; Q297-S300 PolarHBondContact O-N 2.92Å; Q297-S300 VanDerWaalsContact O-N 3.12Å; Q297-S300 PolarHBondContact O-OG 3.11Å; Q297-S301 PolarHBondContact O-N 3.21Å; Q297-S301 PolarHBondContact O-OG 2.74Å
298C93.8Very high92.6Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-57.9-42.2171.5-59.70000111.5L229 I233 Y267 L294 V295 K296 S300 S301 L302L229-C298 PolarHBondContact O-SG 3.27Å; I233-C298 HydrophobicContact CG1-CB 4.49Å; Y267-C298 HydrophobicContact CE2-CB 4.41Å; Y267-C298 WeakPolarHBondContact CE2-O 3.35Å; L294-C298 PolarHBondContact O-N 3.22Å; L294-C298 PolarHBondContact O-SG 2.88Å; V295-C298 WeakPolarHBondContact O-CB 3.27Å; V295-C298 PolarHBondContact O-N 3.08Å; K296-C298 VanDerWaalsContact C-N 3.35Å; C298-S300 VanDerWaalsContact C-N 3.33Å; C298-S300 PolarHBondContact O-N 3.3Å; C298-S301 WeakPolarHBondContact CA-OG 3.44Å; C298-S301 PolarHBondContact O-N 3.39Å; C298-S301 PolarHBondContact O-OG 3.32Å; C298-L302 PolarHBondContact O-N 3.14Å
299L92.4Very high92.4Very high29 Ų2942.5 Ų42.515%0.15222%0.217CC..Hα-helixtrans-61.5-43.4175.9-173.667.4000111.3L275 V295 K296 Q297 L302 Y303L275-L299 HydrophobicContact CB-CD1 4.17Å; L275-L299 HydrophobicContact CD2-CD1 3.83Å; L275-L299 HydrophobicContact CG-CD1 4.2Å; V295-L299 PolarHBondContact O-N 2.7Å; V295-L299 VanDerWaalsContact O-N 3.07Å; K296-L299 WeakPolarHBondContact O-CB 3.3Å; K296-L299 PolarHBondContact O-N 3.18Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.03Å; L299-L302 WeakPolarHBondContact O-CB 3.41Å; L299-L302 PolarHBondContact O-N 3.44Å; L299-Y303 HydrophobicContact CD1-CE2 4.28Å; L299-Y303 HydrophobicContact CG-CE2 4.01Å; L299-Y303 WeakPolarHBondContact O-CD2 3.19Å; L299-Y303 PolarHBondContact O-N 3.2Å
300S91.9Very high92.2Very high45 Ų4542.5 Ų42.532%0.31522%0.217SC..Hα-helixtrans-65.1-38.5176.372.40000113K296 Q297 C298 L302 Y303 K304K296-S300 PolarHBondContact O-N 3.34Å; Q297-S300 WeakPolarHBondContact CA-OG 3.25Å; Q297-S300 CarbonylContact O-C 3.55Å; Q297-S300 PolarHBondContact O-N 2.92Å; Q297-S300 VanDerWaalsContact O-N 3.12Å; Q297-S300 PolarHBondContact O-OG 3.11Å; C298-S300 VanDerWaalsContact C-N 3.33Å; C298-S300 PolarHBondContact O-N 3.3Å; S300-L302 VanDerWaalsContact C-N 3.27Å; S300-L302 PolarHBondContact O-N 2.91Å; S300-Y303 PolarHBondContact O-N 2.81Å; S300-K304 PolarHBondContact O-N 3.38Å; S300-K304 VanDerWaalsContact O-N 3.1Å
301S93.3Very high92Very high10 Ų1038.3 Ų38.37%0.0720%0.197CC..Hα-helixtrans-68.6-28.4177.168.70000111.6Y267 Q297 C298 K304 K305Y267-S301 PolarHBondContact OH-OG 3.03Å; Q297-S301 PolarHBondContact O-N 3.21Å; Q297-S301 PolarHBondContact O-OG 2.74Å; C298-S301 WeakPolarHBondContact CA-OG 3.44Å; C298-S301 PolarHBondContact O-N 3.39Å; C298-S301 PolarHBondContact O-OG 3.32Å; S301-K304 PolarHBondContact O-N 2.88Å; S301-K305 VanDerWaalsContact O-CB 3.26Å; S301-K305 WeakPolarHBondContact O-CB 3.47Å; S301-K305 PolarHBondContact O-N 3.46Å
302L93.1Very high91.8Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-65.5-43173.8-171.963.3000111.6Y267 P272 L275 C298 L299 S300 K305 N306Y267-L302 HydrophobicContact CD1-CD1 3.99Å; Y267-L302 HydrophobicContact CD2-CB 4.34Å; Y267-L302 HydrophobicContact CD2-CD1 4.11Å; Y267-L302 HydrophobicContact CE1-CD1 3.78Å; Y267-L302 HydrophobicContact CE2-CB 3.72Å; Y267-L302 HydrophobicContact CE2-CD1 3.91Å; Y267-L302 HydrophobicContact CE2-CG 4.35Å; Y267-L302 HydrophobicContact CG-CD1 4.14Å; Y267-L302 PolarHBondContact OH-N 2.83Å; P272-L302 HydrophobicContact CB-CD2 4.23Å; L275-L302 HydrophobicContact CB-CD2 4.2Å; L275-L302 HydrophobicContact CD2-CB 4.32Å; L275-L302 HydrophobicContact CD2-CD2 3.62Å; C298-L302 PolarHBondContact O-N 3.14Å; L299-L302 WeakPolarHBondContact O-CB 3.41Å; L299-L302 PolarHBondContact O-N 3.44Å; S300-L302 VanDerWaalsContact C-N 3.27Å; S300-L302 PolarHBondContact O-N 2.91Å; L302-K305 HydrophobicContact CD1-CD 4.44Å; L302-K305 PolarHBondContact O-N 3.39Å; L302-N306 PolarHBondContact O-N 2.88Å
303Y92.6Very high91.7Very high14 Ų1449.1 Ų49.16%0.05525%0.248CC..Hα-helixtrans-61.2-47.7174-72.9-69.3000111.1P272 R276 L299 S300 K305 N306 I307 V326 L328P272-Y303 HydrophobicContact CB-CD1 4.31Å; P272-Y303 HydrophobicContact CB-CE1 3.62Å; P272-Y303 HydrophobicContact CB-CE2 4.19Å; P272-Y303 HydrophobicContact CG-CD1 4.46Å; P272-Y303 HydrophobicContact CG-CE1 3.75Å; R276-Y303 PolarHBondContact NH2-OH 2.99Å; L299-Y303 HydrophobicContact CD1-CE2 4.28Å; L299-Y303 HydrophobicContact CG-CE2 4.01Å; L299-Y303 WeakPolarHBondContact O-CD2 3.19Å; L299-Y303 PolarHBondContact O-N 3.2Å; S300-Y303 PolarHBondContact O-N 2.81Å; Y303-K305 VanDerWaalsContact C-N 3.33Å; Y303-K305 PolarHBondContact O-N 3.09Å; Y303-N306 PolarHBondContact O-N 3Å; Y303-N306 VanDerWaalsContact O-N 3.17Å; Y303-I307 WeakPolarHBondContact O-CG1 3.49Å; Y303-I307 PolarHBondContact O-N 2.91Å; Y303-V326 HydrophobicContact CD1-CG1 3.75Å; Y303-V326 WeakPolarHBondContact CE1-O 3.32Å; Y303-L328 HydrophobicContact CD1-CD2 3.78Å; Y303-L328 HydrophobicContact CE1-CD2 3.83Å; Y303-L328 HydrophobicContact CG-CD2 4.45Å
304K91.6Very high91.6Very high40 Ų4050.2 Ų50.217%0.17424%0.24CC..Hα-helixtrans-56.3-45.4174.9-71.9-179.9161.5-1510111.8S300 S301 N306 I307 Q308 M341 D344 E346S300-K304 PolarHBondContact O-N 3.38Å; S300-K304 VanDerWaalsContact O-N 3.1Å; S301-K304 PolarHBondContact O-N 2.88Å; K304-N306 PolarHBondContact O-N 3.45Å; K304-I307 PolarHBondContact O-N 3.43Å; K304-Q308 WeakPolarHBondContact O-CG 3.37Å; K304-Q308 PolarHBondContact O-N 2.94Å; K304-M341 HydrophobicContact CB-CE 3.88Å; K304-M341 HydrophobicContact CB-SD 4.2Å; K304-M341 HydrophobicContact CD-CG 4.5Å; K304-M341 HydrophobicContact CG-CE 4.21Å; K304-M341 HydrophobicContact CG-CG 4.05Å; K304-M341 HydrophobicContact CG-SD 3.98Å; K304-M341 WeakPolarHBondContact O-CE 3.24Å; K304-D344 IonicContact NZ-OD2 3.71Å; K304-D344 PolarHBondContact NZ-OD2 3.18Å; K304-E346 WeakPolarHBondContact CD-OE2 3.07Å; K304-E346 WeakPolarHBondContact CE-OE2 3.18Å; K304-E346 IonicContact NZ-OE1 3.93Å; K304-E346 PolarHBondContact NZ-OE1 3.41Å; K304-E346 IonicContact NZ-OE2 3.12Å; K304-E346 PolarHBondContact NZ-OE2 3.47Å
305K91.4Very high91.4Very high45 Ų4555.5 Ų55.520%0.19627%0.268CS..Hα-helixtrans-61.3-42.6176.2-179.5-176.4175.1-169.70112.3G236 Y267 N270 S301 L302 Y303 I307 Q308 R309G236-K305 PolarHBondContact O-NZ 3.46Å; Y267-K305 HydrophobicContact CE1-CD 3.84Å; N270-K305 PolarHBondContact OD1-NZ 3.39Å; S301-K305 VanDerWaalsContact O-CB 3.26Å; S301-K305 WeakPolarHBondContact O-CB 3.47Å; S301-K305 PolarHBondContact O-N 3.46Å; L302-K305 HydrophobicContact CD1-CD 4.44Å; L302-K305 PolarHBondContact O-N 3.39Å; Y303-K305 VanDerWaalsContact C-N 3.33Å; Y303-K305 PolarHBondContact O-N 3.09Å; K305-I307 VanDerWaalsContact C-N 3.31Å; K305-I307 PolarHBondContact O-N 3.37Å; K305-Q308 PolarHBondContact O-N 2.97Å; K305-R309 WeakPolarHBondContact O-CG 3.28Å; K305-R309 PolarHBondContact O-N 2.81Å
306N91.8Very high91.2Very high19 Ų1958.6 Ų58.610%0.10229%0.287CS..Hα-helixtrans-63.8-38.8177.5-77.6-4000111.4N270 L302 Y303 K304 R309 L310 V326N270-N306 PolarHBondContact O-ND2 3.32Å; L302-N306 PolarHBondContact O-N 2.88Å; Y303-N306 PolarHBondContact O-N 3Å; Y303-N306 VanDerWaalsContact O-N 3.17Å; K304-N306 PolarHBondContact O-N 3.45Å; N306-R309 PolarHBondContact O-N 2.95Å; N306-L310 PolarHBondContact O-N 3.37Å; N306-V326 HydrophobicContact CB-CG1 4.19Å; N306-V326 HydrophobicContact CB-CG2 4.32Å
307I90.9Very high91.2Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-66.1-46.3174.1-63.9165.1000110.9Y303 K304 K305 R309 L310 M322 V326 Y337 M341 I347Y303-I307 WeakPolarHBondContact O-CG1 3.49Å; Y303-I307 PolarHBondContact O-N 2.91Å; K304-I307 PolarHBondContact O-N 3.43Å; K305-I307 VanDerWaalsContact C-N 3.31Å; K305-I307 PolarHBondContact O-N 3.37Å; I307-R309 PolarHBondContact O-N 3.12Å; I307-R309 VanDerWaalsContact O-N 3.17Å; I307-L310 VanDerWaalsContact O-CB 3.31Å; I307-L310 WeakPolarHBondContact O-CB 3.29Å; I307-L310 PolarHBondContact O-N 3.42Å; I307-M322 HydrophobicContact CG2-SD 4.49Å; I307-V326 HydrophobicContact CG1-CG1 4.12Å; I307-V326 HydrophobicContact CG1-CG2 3.95Å; I307-Y337 HydrophobicContact CD1-CD1 4.36Å; I307-Y337 HydrophobicContact CD1-CG 4.21Å; I307-M341 HydrophobicContact CB-CE 4.16Å; I307-M341 HydrophobicContact CB-SD 3.92Å; I307-M341 HydrophobicContact CD1-SD 3.73Å; I307-M341 HydrophobicContact CG1-SD 4.44Å; I307-M341 HydrophobicContact CG2-CE 4.15Å; I307-M341 HydrophobicContact CG2-SD 3.82Å; I307-I347 HydrophobicContact CG2-CD1 4.3Å
308Q90.3Very high91.2Very high73 Ų7350.3 Ų50.334%0.34125%0.254SS..Hα-helixtrans-59-26.8175.2-76.6177-18.800113.4K304 K305 L310 T311 M341 E346 I347K304-Q308 WeakPolarHBondContact O-CG 3.37Å; K304-Q308 PolarHBondContact O-N 2.94Å; K305-Q308 PolarHBondContact O-N 2.97Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-T311 PolarHBondContact O-OG1 2.9Å; Q308-M341 HydrophobicContact CG-CE 3.75Å; Q308-E346 PolarHBondContact NE2-O 3.06Å; Q308-E346 VanDerWaalsContact NE2-O 3.17Å; Q308-I347 HydrophobicContact CG-CG2 3.72Å
309R90.2Very high91.1Very high128 Ų12850.9 Ų50.948%0.48326%0.257SS..Hα-helixtrans-72-28.5174.1-72.7173.665.6152.81.8112.6N270 K305 N306 I307 T311 K312 T313N270-R309 PolarHBondContact ND2-NH1 3.11Å; N270-R309 PolarHBondContact OD1-NH1 2.84Å; N270-R309 VanDerWaalsContact OD1-NH1 3.17Å; K305-R309 WeakPolarHBondContact O-CG 3.28Å; K305-R309 PolarHBondContact O-N 2.81Å; N306-R309 PolarHBondContact O-N 2.95Å; I307-R309 PolarHBondContact O-N 3.12Å; I307-R309 VanDerWaalsContact O-N 3.17Å; R309-T311 VanDerWaalsContact C-N 3.3Å; R309-K312 PolarHBondContact O-N 2.78Å; R309-T313 PolarHBondContact O-OG1 3.03Å
310L90.2Very high91.2Very high15 Ų1554 Ų548%0.07927%0.272CS..Hα-helixtrans-67.9-32.5178.1-61.5171.5000111.2N306 I307 Q308 K312 T313 F314 L317 M322 V326 F360N306-L310 PolarHBondContact O-N 3.37Å; I307-L310 VanDerWaalsContact O-CB 3.31Å; I307-L310 WeakPolarHBondContact O-CB 3.29Å; I307-L310 PolarHBondContact O-N 3.42Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 3.49Å; L310-T313 PolarHBondContact O-N 3.21Å; L310-T313 PolarHBondContact O-OG1 3.35Å; L310-F314 HydrophobicContact CB-CD2 4.31Å; L310-F314 HydrophobicContact CD2-CD2 4.01Å; L310-F314 HydrophobicContact CD2-CE2 4.05Å; L310-F314 PolarHBondContact O-N 3.12Å; L310-L317 HydrophobicContact CB-CD2 4.38Å; L310-L317 HydrophobicContact CD1-CD2 3.77Å; L310-L317 HydrophobicContact CD2-CD2 4.3Å; L310-L317 HydrophobicContact CG-CD2 4.38Å; L310-M322 HydrophobicContact CD1-CG 3.88Å; L310-V326 HydrophobicContact CD1-CG2 3.83Å; L310-F360 HydrophobicContact CB-CE2 4.27Å; L310-F360 HydrophobicContact CB-CZ 4.19Å
311T88.2Confident91.2Very high56 Ų5655.8 Ų55.834%0.34428%0.277SS..Hα-helixtrans-61.7-27.1176.873.30000112.9Q308 R309 T313 I347 F360Q308-T311 PolarHBondContact O-OG1 2.9Å; R309-T311 VanDerWaalsContact C-N 3.3Å; T311-T313 VanDerWaalsContact C-N 3.33Å; T311-I347 HydrophobicContact CG2-CG2 4.44Å; T311-F360 HydrophobicContact CG2-CD1 3.52Å; T311-F360 HydrophobicContact CG2-CE1 3.73Å; T311-F360 HydrophobicContact CG2-CG 4Å; T311-F360 HydrophobicContact CG2-CZ 4.36Å
312K87.6Confident91.1Very high182 Ų18255.3 Ų55.379%0.79127%0.274SS*.THydrogen-bonded Turntrans-78.2-15.6178.1-60.7-171.4177.4-173.40114.1R309 L310R309-K312 PolarHBondContact O-N 2.78Å; L310-K312 PolarHBondContact O-N 3.49Å
313T90.5Very high91.1Very high96 Ų9655.4 Ų55.459%0.58928%0.275SS*.THydrogen-bonded Turntrans-123.2-22-171.144.50000113.1R309 L310 T311R309-T313 PolarHBondContact O-OG1 3.03Å; L310-T313 PolarHBondContact O-N 3.21Å; L310-T313 PolarHBondContact O-OG1 3.35Å; T311-T313 VanDerWaalsContact C-N 3.33Å
314F88.9Confident91.1Very high64 Ų6458.2 Ų58.228%0.28130%0.296SS..  trans-126.4139.7-178.1-61-79.8000110L310 L317 R325 F360L310-F314 HydrophobicContact CB-CD2 4.31Å; L310-F314 HydrophobicContact CD2-CD2 4.01Å; L310-F314 HydrophobicContact CD2-CE2 4.05Å; L310-F314 PolarHBondContact O-N 3.12Å; F314-L317 HydrophobicContact CB-CB 4.32Å; F314-L317 HydrophobicContact CD1-CD1 4.06Å; F314-L317 HydrophobicContact CE1-CD1 4.49Å; F314-L317 HydrophobicContact CG-CD1 4.17Å; F314-R325 VanDerWaalsContact CE1-NH1 3.31Å; F314-F360 HydrophobicContact CB-CD2 4.38Å; F314-F360 HydrophobicContact CB-CE2 4.28Å; F314-F360 VanDerWaalsContact O-CD2 3.24Å; F314-F360 WeakPolarHBondContact O-CD2 3.35Å
315L89.9Confident91Very high133 Ų13362.5 Ų62.570%0.69631%0.311SS*.SBendtrans-90.8-42.2167.3-17668.5000110.7C359 F360L315-C359 CarbonylContact O-C 3.54Å; L315-F360 WeakPolarHBondContact CD1-O 3.34Å; L315-F360 PolarHBondContact O-N 3.02Å
316T90.1Very high91Very high68 Ų6860.4 Ų60.442%0.41730%0.303SS..EExtended strand (participates in β ladder)trans-131.9134.3176.2-51.90000108.9M357 V358T316-M357 HydrophobicContact CG2-CB 4.09Å; T316-M357 HydrophobicContact CG2-CE 4.3Å; T316-M357 HydrophobicContact CG2-CG 4.4Å; T316-M357 HydrophobicContact CG2-SD 4.38Å; T316-V358 CarbonylContact C-O 3.59Å; T316-V358 WeakPolarHBondContact CA-O 3.4Å
317L92.9Very high90.9Very high7 Ų763.9 Ų63.94%0.03732%0.318CS..EExtended strand (participates in β ladder)trans-142.5138-178-172.368.4000110.8L310 F314 D321 M322 V358 F360L310-L317 HydrophobicContact CB-CD2 4.38Å; L310-L317 HydrophobicContact CD1-CD2 3.77Å; L310-L317 HydrophobicContact CD2-CD2 4.3Å; L310-L317 HydrophobicContact CG-CD2 4.38Å; F314-L317 HydrophobicContact CB-CB 4.32Å; F314-L317 HydrophobicContact CD1-CD1 4.06Å; F314-L317 HydrophobicContact CE1-CD1 4.49Å; F314-L317 HydrophobicContact CG-CD1 4.17Å; L317-D321 HydrophobicContact CD1-CB 3.88Å; L317-D321 HydrophobicContact CG-CB 4.28Å; L317-M322 HydrophobicContact CD2-CB 3.96Å; L317-M322 HydrophobicContact CD2-CE 4.28Å; L317-M322 HydrophobicContact CD2-CG 4.47Å; L317-V358 PolarHBondContact N-O 2.61Å; L317-V358 PolarHBondContact O-N 2.69Å; L317-F360 HydrophobicContact CB-CE2 4.12Å
318S94.1Very high90.9Very high32 Ų3264.9 Ų64.922%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-66.9144.7174-1800000111.6Q320 D321 M322 G356 M357S318-Q320 PolarHBondContact O-N 3.21Å; S318-Q320 PolarHBondContact OG-N 2.99Å; S318-D321 PolarHBondContact O-N 3.23Å; S318-M322 WeakPolarHBondContact O-CB 3.42Å; S318-M322 PolarHBondContact O-N 3.5Å; S318-G356 WeakPolarHBondContact CA-O 3.14Å; S318-G356 PolarHBondContact OG-O 2.81Å; S318-M357 WeakPolarHBondContact CA-SD 3.31Å; S318-M357 PolarHBondContact N-SD 2.77Å; S318-M357 VanDerWaalsContact N-SD 3.45Å
319L92.2Very high90.8Very high12 Ų1266.4 Ų66.46%0.06334%0.342CS..Hα-helixtrans-58.1-32.9173.3-74.2167.8000112.3A323 P331 A334 E335 G356 V358L319-A323 WeakPolarHBondContact O-CB 3.48Å; L319-A323 PolarHBondContact O-N 3.08Å; L319-P331 HydrophobicContact CB-CB 3.79Å; L319-A334 HydrophobicContact CD2-CB 4.23Å; L319-E335 HydrophobicContact CD1-CB 4.3Å; L319-E335 HydrophobicContact CD2-CB 4.06Å; L319-G356 PolarHBondContact N-O 3.22Å; L319-V358 HydrophobicContact CD2-CG2 3.45Å; L319-V358 VanDerWaalsContact CD2-CG2 3.45Å; L319-V358 HydrophobicContact CG-CG2 3.99Å
320Q92.9Very high90.8Very high96 Ų9661 Ų6145%0.44933%0.326SS..Hα-helixtrans-70.4-42.5178.2-17460.737.900111.9S318 M322 A323 S324S318-Q320 PolarHBondContact O-N 3.21Å; S318-Q320 PolarHBondContact OG-N 2.99Å; Q320-M322 VanDerWaalsContact C-N 3.34Å; Q320-A323 PolarHBondContact O-N 3.48Å; Q320-S324 WeakPolarHBondContact O-CB 3.27Å; Q320-S324 PolarHBondContact O-N 3.5Å; Q320-S324 PolarHBondContact O-OG 3.38Å
321D91.9Very high90.8Very high81 Ų8162.5 Ų62.543%0.43334%0.337SS..Hα-helixtrans-67.8-38.7177.2-72.1-18000111.1L317 S318 S324 R325L317-D321 HydrophobicContact CD1-CB 3.88Å; L317-D321 HydrophobicContact CG-CB 4.28Å; S318-D321 PolarHBondContact O-N 3.23Å; D321-S324 PolarHBondContact O-N 3.44Å; D321-R325 WeakPolarHBondContact O-CB 3.49Å; D321-R325 WeakPolarHBondContact O-CG 3.39Å; D321-R325 PolarHBondContact O-N 2.87Å
322M91.7Very high91Very high0 Ų066.9 Ų66.90%035%0.354CS..Hα-helixtrans-59.9-49.8173.1-173.7-179.9-59.400111I307 L310 L317 S318 Q320 S324 R325 V326 A334 V338 V358 F360I307-M322 HydrophobicContact CG2-SD 4.49Å; L310-M322 HydrophobicContact CD1-CG 3.88Å; L317-M322 HydrophobicContact CD2-CB 3.96Å; L317-M322 HydrophobicContact CD2-CE 4.28Å; L317-M322 HydrophobicContact CD2-CG 4.47Å; S318-M322 WeakPolarHBondContact O-CB 3.42Å; S318-M322 PolarHBondContact O-N 3.5Å; Q320-M322 VanDerWaalsContact C-N 3.34Å; M322-S324 VanDerWaalsContact C-N 3.3Å; M322-S324 PolarHBondContact O-N 2.94Å; M322-R325 PolarHBondContact O-N 3.42Å; M322-V326 HydrophobicContact CG-CG2 4.27Å; M322-V326 VanDerWaalsContact O-CB 3.32Å; M322-V326 WeakPolarHBondContact O-CB 3.3Å; M322-V326 VanDerWaalsContact O-CG2 3.29Å; M322-V326 WeakPolarHBondContact O-CG2 3.25Å; M322-V326 PolarHBondContact O-N 2.62Å; M322-A334 HydrophobicContact CB-CB 4.48Å; M322-A334 HydrophobicContact CG-CB 4.34Å; M322-A334 HydrophobicContact SD-CB 4.21Å; M322-V338 HydrophobicContact CE-CG2 3.99Å; M322-V338 HydrophobicContact SD-CG2 3.49Å; M322-V338 WeakPolarHBondContact SD-CG2 3.42Å; M322-V358 HydrophobicContact CE-CB 3.79Å; M322-V358 HydrophobicContact CE-CG1 4Å; M322-V358 HydrophobicContact CE-CG2 3.69Å; M322-F360 HydrophobicContact CE-CE1 4.35Å; M322-F360 HydrophobicContact CE-CZ 3.68Å
323A92.9Very high91.1Very high2 Ų262.1 Ų62.12%0.01733%0.334CS..Hα-helixtrans-58.5-43.8178.200000111.7L319 Q320 Q327 L328 G330 A334L319-A323 WeakPolarHBondContact O-CB 3.48Å; L319-A323 PolarHBondContact O-N 3.08Å; Q320-A323 PolarHBondContact O-N 3.48Å; A323-Q327 WeakPolarHBondContact O-CA 3.4Å; A323-Q327 PolarHBondContact O-N 3.08Å; A323-L328 HydrophobicContact CB-CB 4.21Å; A323-L328 PolarHBondContact O-N 2.93Å; A323-G330 WeakPolarHBondContact CB-O 3.32Å; A323-A334 HydrophobicContact CB-CB 4.21Å
324S92.4Very high91.2Very high73 Ų7357.5 Ų57.551%0.5131%0.306SS..Hα-helixtrans-64.6-43.8179.9-55.40000112.4Q320 D321 M322Q320-S324 WeakPolarHBondContact O-CB 3.27Å; Q320-S324 PolarHBondContact O-N 3.5Å; Q320-S324 PolarHBondContact O-OG 3.38Å; D321-S324 PolarHBondContact O-N 3.44Å; M322-S324 VanDerWaalsContact C-N 3.3Å; M322-S324 PolarHBondContact O-N 2.94Å
325R90.3Very high91.3Very high130 Ų13057 Ų5749%0.49131%0.305SS..Hα-helixtrans-73.8-34-179.5-73.2-176.5179.1158.7-1.5113.7F314 D321 M322 Q327F314-R325 VanDerWaalsContact CE1-NH1 3.31Å; D321-R325 WeakPolarHBondContact O-CB 3.49Å; D321-R325 WeakPolarHBondContact O-CG 3.39Å; D321-R325 PolarHBondContact O-N 2.87Å; M322-R325 PolarHBondContact O-N 3.42Å; R325-Q327 VanDerWaalsContact C-N 3.31Å
326V91Very high91.5Very high2 Ų257 Ų571%0.01230%0.299CS..Hα-helixtrans-87.5-6.2180-178.70000111.6Y303 N306 I307 L310 M322 L328Y303-V326 HydrophobicContact CD1-CG1 3.75Å; Y303-V326 WeakPolarHBondContact CE1-O 3.32Å; N306-V326 HydrophobicContact CB-CG1 4.19Å; N306-V326 HydrophobicContact CB-CG2 4.32Å; I307-V326 HydrophobicContact CG1-CG1 4.12Å; I307-V326 HydrophobicContact CG1-CG2 3.95Å; L310-V326 HydrophobicContact CD1-CG2 3.83Å; M322-V326 HydrophobicContact CG-CG2 4.27Å; M322-V326 VanDerWaalsContact O-CB 3.32Å; M322-V326 WeakPolarHBondContact O-CB 3.3Å; M322-V326 VanDerWaalsContact O-CG2 3.29Å; M322-V326 WeakPolarHBondContact O-CG2 3.25Å; M322-V326 PolarHBondContact O-N 2.62Å; V326-L328 HydrophobicContact CB-CD1 4.38Å; V326-L328 HydrophobicContact CB-CG 4.24Å; V326-L328 HydrophobicContact CG1-CD1 4.12Å; V326-L328 HydrophobicContact CG1-CD2 4.42Å; V326-L328 HydrophobicContact CG1-CG 3.95Å
327Q90.5Very high91.6Very high92 Ų9256.7 Ų56.743%0.4329%0.29SS..THydrogen-bonded Turntrans60.544.5-176.6-52.6177.4-100112.6N271 P272 A323 R325N271-Q327 PolarHBondContact OD1-OE1 2.97Å; P272-Q327 HydrophobicContact CG-CB 4Å; P272-Q327 HydrophobicContact CG-CG 4.38Å; P272-Q327 VanDerWaalsContact CG-OE1 3.3Å; A323-Q327 WeakPolarHBondContact O-CA 3.4Å; A323-Q327 PolarHBondContact O-N 3.08Å; R325-Q327 VanDerWaalsContact C-N 3.31Å
328L90.6Very high91.6Very high20 Ų2056.3 Ų56.311%0.10529%0.288CS..  trans-89.7159.5170-61.5173.2000110.2Y303 A323 V326 G330 E333 A334 Y337Y303-L328 HydrophobicContact CD1-CD2 3.78Å; Y303-L328 HydrophobicContact CE1-CD2 3.83Å; Y303-L328 HydrophobicContact CG-CD2 4.45Å; A323-L328 HydrophobicContact CB-CB 4.21Å; A323-L328 PolarHBondContact O-N 2.93Å; V326-L328 HydrophobicContact CB-CD1 4.38Å; V326-L328 HydrophobicContact CB-CG 4.24Å; V326-L328 HydrophobicContact CG1-CD1 4.12Å; V326-L328 HydrophobicContact CG1-CD2 4.42Å; V326-L328 HydrophobicContact CG1-CG 3.95Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-G330 PolarHBondContact O-N 3.4Å; L328-E333 HydrophobicContact CB-CB 4.35Å; L328-A334 HydrophobicContact CD1-CB 3.93Å; L328-Y337 HydrophobicContact CD1-CD2 4.04Å; L328-Y337 HydrophobicContact CD2-CD2 4.01Å; L328-Y337 HydrophobicContact CD2-CE2 3.75Å
329S87.7Confident91.5Very high105 Ų10559.4 Ų59.473%0.73430%0.302SS*.SBendtrans-71.3-20.4-175.263.60000113.9E333S329-E333 WeakPolarHBondContact CB-OE2 3.41Å; S329-E333 PolarHBondContact N-OE2 3.42Å; S329-E333 PolarHBondContact OG-OE2 3.2Å
330G90.9Very high91.6Very high14 Ų1463.5 Ų63.514%0.14432%0.321CS..SBendtrans178.9-179.817800000114.1A323 L328 Q332 E333 A334A323-G330 WeakPolarHBondContact CB-O 3.32Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-G330 PolarHBondContact O-N 3.4Å; G330-Q332 VanDerWaalsContact C-N 3.28Å; G330-Q332 PolarHBondContact O-N 2.69Å; G330-E333 PolarHBondContact O-N 3.38Å; G330-A334 PolarHBondContact O-N 2.83Å
331P90.6Very high91.5Very high48 Ų4859 Ų5931%0.31230%0.299SS..Hα-helixtrans-67-29.1-17526.7-33.3000112.5L319 A334 E335L319-P331 HydrophobicContact CB-CB 3.79Å; P331-A334 PolarHBondContact O-N 3.4Å; P331-E335 WeakPolarHBondContact O-CB 3.47Å; P331-E335 PolarHBondContact O-N 3.19Å
332Q91.1Very high91.4Very high148 Ų14857.9 Ų57.969%0.69229%0.293SS*.Hα-helixtrans-65.3-38176.7-64.5175.5-0.900112.4G330 K336G330-Q332 VanDerWaalsContact C-N 3.28Å; G330-Q332 PolarHBondContact O-N 2.69Å; Q332-K336 WeakPolarHBondContact O-CG 3.39Å; Q332-K336 PolarHBondContact O-N 3.36Å; Q332-K336 VanDerWaalsContact O-N 3.15Å
333E90.8Very high91.4Very high81 Ų8165 Ų6538%0.37933%0.326SS..Hα-helixtrans-70.2-41.4173.8-78.3-164.5146.900111L328 S329 G330 E335 K336 Y337L328-E333 HydrophobicContact CB-CB 4.35Å; S329-E333 WeakPolarHBondContact CB-OE2 3.41Å; S329-E333 PolarHBondContact N-OE2 3.42Å; S329-E333 PolarHBondContact OG-OE2 3.2Å; G330-E333 PolarHBondContact O-N 3.38Å; E333-E335 VanDerWaalsContact C-N 3.3Å; E333-E335 PolarHBondContact O-N 3.33Å; E333-K336 PolarHBondContact O-N 3.43Å; E333-Y337 WeakPolarHBondContact O-CD2 3.3Å; E333-Y337 PolarHBondContact O-N 3.23Å
334A91.2Very high91.2Very high0 Ų069.6 Ų69.60%035%0.35CS..Hα-helixtrans-57.9-44.4175.400000111.4L319 M322 A323 L328 G330 P331 K336 Y337 V338L319-A334 HydrophobicContact CD2-CB 4.23Å; M322-A334 HydrophobicContact CB-CB 4.48Å; M322-A334 HydrophobicContact CG-CB 4.34Å; M322-A334 HydrophobicContact SD-CB 4.21Å; A323-A334 HydrophobicContact CB-CB 4.21Å; L328-A334 HydrophobicContact CD1-CB 3.93Å; G330-A334 PolarHBondContact O-N 2.83Å; P331-A334 PolarHBondContact O-N 3.4Å; A334-K336 PolarHBondContact O-N 3.49Å; A334-Y337 PolarHBondContact O-N 3.26Å; A334-V338 VanDerWaalsContact O-CG2 3.29Å; A334-V338 WeakPolarHBondContact O-CG2 3.48Å; A334-V338 PolarHBondContact O-N 3.05Å
335E92.4Very high91Very high54 Ų5468.1 Ų68.125%0.25235%0.347SS..Hα-helixtrans-60.2-45.9176.3-170.4179.5178.500112L319 P331 E333 Y337 V338 L339 I351 Q353L319-E335 HydrophobicContact CD1-CB 4.3Å; L319-E335 HydrophobicContact CD2-CB 4.06Å; P331-E335 WeakPolarHBondContact O-CB 3.47Å; P331-E335 PolarHBondContact O-N 3.19Å; E333-E335 VanDerWaalsContact C-N 3.3Å; E333-E335 PolarHBondContact O-N 3.33Å; E335-Y337 PolarHBondContact O-N 3.07Å; E335-V338 PolarHBondContact O-N 3.34Å; E335-L339 WeakPolarHBondContact O-CB 3.4Å; E335-L339 PolarHBondContact O-N 2.9Å; E335-I351 HydrophobicContact CG-CD1 4.13Å; E335-I351 HydrophobicContact CG-CG2 4.23Å; E335-Q353 PolarHBondContact OE1-NE2 3.1Å
336K92.6Very high90.8Very high131 Ų13165.5 Ų65.557%0.5734%0.34SS*.Hα-helixtrans-60-44.7175.9-73.8176.1-177.9178.90112.3Q332 E333 A334 L339 H340Q332-K336 WeakPolarHBondContact O-CG 3.39Å; Q332-K336 PolarHBondContact O-N 3.36Å; Q332-K336 VanDerWaalsContact O-N 3.15Å; E333-K336 PolarHBondContact O-N 3.43Å; A334-K336 PolarHBondContact O-N 3.49Å; K336-L339 PolarHBondContact O-N 3.44Å; K336-H340 PolarHBondContact O-CD2 3.32Å; K336-H340 PolarHBondContact O-N 3.34Å
337Y92.6Very high90.8Very high62 Ų6265.8 Ų65.824%0.24334%0.342CS..Hα-helixtrans-61.8-47177.3-92.4-80000111.4I307 L328 E333 A334 E335 L339 H340 M341I307-Y337 HydrophobicContact CD1-CD1 4.36Å; I307-Y337 HydrophobicContact CD1-CG 4.21Å; L328-Y337 HydrophobicContact CD1-CD2 4.04Å; L328-Y337 HydrophobicContact CD2-CD2 4.01Å; L328-Y337 HydrophobicContact CD2-CE2 3.75Å; E333-Y337 WeakPolarHBondContact O-CD2 3.3Å; E333-Y337 PolarHBondContact O-N 3.23Å; A334-Y337 PolarHBondContact O-N 3.26Å; E335-Y337 PolarHBondContact O-N 3.07Å; Y337-L339 VanDerWaalsContact C-N 3.34Å; Y337-L339 PolarHBondContact O-N 3.32Å; Y337-H340 PolarHBondContact O-N 3.09Å; Y337-M341 WeakPolarHBondContact O-CB 3.15Å; Y337-M341 WeakPolarHBondContact O-CG 3.39Å; Y337-M341 PolarHBondContact O-N 3.45Å
338V92.4Very high90.8Very high0 Ų066.1 Ų66.10%034%0.34CS..Hα-helixtrans-61.6-44.1178.6173.20000110.8M322 A334 E335 H340 M341 I342 I347 A349 I351 V358M322-V338 HydrophobicContact CE-CG2 3.99Å; M322-V338 HydrophobicContact SD-CG2 3.49Å; M322-V338 WeakPolarHBondContact SD-CG2 3.42Å; A334-V338 VanDerWaalsContact O-CG2 3.29Å; A334-V338 WeakPolarHBondContact O-CG2 3.48Å; A334-V338 PolarHBondContact O-N 3.05Å; E335-V338 PolarHBondContact O-N 3.34Å; V338-H340 PolarHBondContact O-N 3.44Å; V338-M341 PolarHBondContact O-N 3.22Å; V338-I342 HydrophobicContact CG1-CD1 3.72Å; V338-I342 HydrophobicContact CG1-CG1 4.39Å; V338-I342 WeakPolarHBondContact O-CD1 3.27Å; V338-I342 VanDerWaalsContact O-CG1 3.24Å; V338-I342 WeakPolarHBondContact O-CG1 3.46Å; V338-I342 PolarHBondContact O-N 3.18Å; V338-I347 HydrophobicContact CG1-CD1 4.14Å; V338-A349 HydrophobicContact CG1-CB 4.44Å; V338-I351 HydrophobicContact CB-CD1 4.26Å; V338-I351 HydrophobicContact CG1-CD1 3.84Å; V338-I351 HydrophobicContact CG1-CG1 3.8Å; V338-V358 HydrophobicContact CG1-CG1 4.06Å; V338-V358 HydrophobicContact CG2-CG2 4.42Å
339L93.1Very high90.8Very high96 Ų9665.8 Ų65.850%0.50334%0.34SS..Hα-helixtrans-59.1-49.3177.8-177.165.8000112E335 K336 Y337 M341 I342 E343 I351E335-L339 WeakPolarHBondContact O-CB 3.4Å; E335-L339 PolarHBondContact O-N 2.9Å; K336-L339 PolarHBondContact O-N 3.44Å; Y337-L339 VanDerWaalsContact C-N 3.34Å; Y337-L339 PolarHBondContact O-N 3.32Å; L339-M341 VanDerWaalsContact C-N 3.33Å; L339-M341 PolarHBondContact O-N 3.1Å; L339-I342 PolarHBondContact O-N 2.87Å; L339-E343 PolarHBondContact O-N 3.26Å; L339-I351 HydrophobicContact CB-CD1 4.32Å
340H92.9Very high90.9Very high99 Ų9963.7 Ų63.746%0.45833%0.325SS..Hα-helixtrans-63.4-38.7177.6-72.7-49.5000112.5K336 Y337 V338 I342 E343 D344K336-H340 PolarHBondContact O-CD2 3.32Å; K336-H340 PolarHBondContact O-N 3.34Å; Y337-H340 PolarHBondContact O-N 3.09Å; V338-H340 PolarHBondContact O-N 3.44Å; H340-I342 VanDerWaalsContact C-N 3.31Å; H340-I342 PolarHBondContact O-N 2.98Å; H340-E343 IonicContact ND1-OE2 3.63Å; H340-E343 PolarHBondContact O-N 3.07Å; H340-D344 VanDerWaalsContact O-CB 3.31Å; H340-D344 WeakPolarHBondContact O-CB 3.47Å; H340-D344 VanDerWaalsContact O-CG 3.27Å; H340-D344 PolarHBondContact O-N 3.03Å
341M91.2Very high91Very high0 Ų064.9 Ų64.90%033%0.328CS..Hα-helixtrans-69-29.1177.4-68.4177.475.600112.7K304 I307 Q308 Y337 V338 L339 G345 E346 I347K304-M341 HydrophobicContact CB-CE 3.88Å; K304-M341 HydrophobicContact CB-SD 4.2Å; K304-M341 HydrophobicContact CD-CG 4.5Å; K304-M341 HydrophobicContact CG-CE 4.21Å; K304-M341 HydrophobicContact CG-CG 4.05Å; K304-M341 HydrophobicContact CG-SD 3.98Å; K304-M341 WeakPolarHBondContact O-CE 3.24Å; I307-M341 HydrophobicContact CB-CE 4.16Å; I307-M341 HydrophobicContact CB-SD 3.92Å; I307-M341 HydrophobicContact CD1-SD 3.73Å; I307-M341 HydrophobicContact CG1-SD 4.44Å; I307-M341 HydrophobicContact CG2-CE 4.15Å; I307-M341 HydrophobicContact CG2-SD 3.82Å; Q308-M341 HydrophobicContact CG-CE 3.75Å; Y337-M341 WeakPolarHBondContact O-CB 3.15Å; Y337-M341 WeakPolarHBondContact O-CG 3.39Å; Y337-M341 PolarHBondContact O-N 3.45Å; V338-M341 PolarHBondContact O-N 3.22Å; L339-M341 VanDerWaalsContact C-N 3.33Å; L339-M341 PolarHBondContact O-N 3.1Å; M341-G345 PolarHBondContact O-N 3.31Å; M341-E346 HydrophobicContact CB-CB 4.31Å; M341-E346 HydrophobicContact CE-CB 4.47Å; M341-E346 WeakPolarHBondContact CG-OE2 3.46Å; M341-E346 PolarHBondContact O-N 3.38Å; M341-I347 HydrophobicContact CB-CD1 3.61Å; M341-I347 HydrophobicContact CB-CG1 3.64Å; M341-I347 HydrophobicContact CE-CD1 4.32Å; M341-I347 HydrophobicContact CE-CG2 3.52Å; M341-I347 PolarHBondContact O-N 3.08Å; M341-I347 HydrophobicContact SD-CD1 4.22Å
342I91.4Very high91Very high59 Ų5965.4 Ų65.430%0.30333%0.328SS..Hα-helixtrans-71.6-45.2172.1-66.5160.8000110.1V338 L339 H340 G345 I347 A349 I351V338-I342 HydrophobicContact CG1-CD1 3.72Å; V338-I342 HydrophobicContact CG1-CG1 4.39Å; V338-I342 WeakPolarHBondContact O-CD1 3.27Å; V338-I342 VanDerWaalsContact O-CG1 3.24Å; V338-I342 WeakPolarHBondContact O-CG1 3.46Å; V338-I342 PolarHBondContact O-N 3.18Å; L339-I342 PolarHBondContact O-N 2.87Å; H340-I342 VanDerWaalsContact C-N 3.31Å; H340-I342 PolarHBondContact O-N 2.98Å; I342-G345 PolarHBondContact O-N 3.25Å; I342-G345 VanDerWaalsContact O-N 3.11Å; I342-I347 HydrophobicContact CG1-CD1 4.41Å; I342-I347 HydrophobicContact CG1-CG1 4.03Å; I342-A349 HydrophobicContact CD1-CB 4.21Å; I342-A349 WeakPolarHBondContact CD1-O 3.27Å; I342-A349 HydrophobicContact CG1-CB 4.32Å; I342-I351 HydrophobicContact CD1-CD1 4.4Å; I342-I351 HydrophobicContact CD1-CG1 4.32Å
343E91.5Very high90.8Very high148 Ų14865.4 Ų65.469%0.69233%0.328SS*.Hα-helixtrans-62.6-42.3178.6-172.2179.4-168.800112.1L339 H340 G345L339-E343 PolarHBondContact O-N 3.26Å; H340-E343 IonicContact ND1-OE2 3.63Å; H340-E343 PolarHBondContact O-N 3.07Å; E343-G345 PolarHBondContact O-N 2.9Å
344D87.9Confident90.6Very high99 Ų9971 Ų7153%0.52935%0.351SS..THydrogen-bonded Turntrans-72.9-8.2175.7-70.1-23.3000112.8K304 H340 E346K304-D344 IonicContact NZ-OD2 3.71Å; K304-D344 PolarHBondContact NZ-OD2 3.18Å; H340-D344 VanDerWaalsContact O-CB 3.31Å; H340-D344 WeakPolarHBondContact O-CB 3.47Å; H340-D344 VanDerWaalsContact O-CG 3.27Å; H340-D344 PolarHBondContact O-N 3.03Å; D344-E346 VanDerWaalsContact C-N 3.32Å; D344-E346 HydrophobicContact CB-CG 3.93Å; D344-E346 PolarHBondContact O-N 3.25Å
345G87.6Confident90.3Very high43 Ų4376.5 Ų76.544%0.44338%0.381SS..THydrogen-bonded Turntrans71.619.9-177.700000114.9M341 I342 E343M341-G345 PolarHBondContact O-N 3.31Å; I342-G345 PolarHBondContact O-N 3.25Å; I342-G345 VanDerWaalsContact O-N 3.11Å; E343-G345 PolarHBondContact O-N 2.9Å
346E87.6Confident90.2Very high74 Ų7475 Ų7535%0.34638%0.379SS..SBendtrans-83.5-23.1-177.5-66.3177160.800113.7K304 Q308 M341 D344K304-E346 WeakPolarHBondContact CD-OE2 3.07Å; K304-E346 WeakPolarHBondContact CE-OE2 3.18Å; K304-E346 IonicContact NZ-OE1 3.93Å; K304-E346 PolarHBondContact NZ-OE1 3.41Å; K304-E346 IonicContact NZ-OE2 3.12Å; K304-E346 PolarHBondContact NZ-OE2 3.47Å; Q308-E346 PolarHBondContact NE2-O 3.06Å; Q308-E346 VanDerWaalsContact NE2-O 3.17Å; M341-E346 HydrophobicContact CB-CB 4.31Å; M341-E346 HydrophobicContact CE-CB 4.47Å; M341-E346 WeakPolarHBondContact CG-OE2 3.46Å; M341-E346 PolarHBondContact O-N 3.38Å; D344-E346 VanDerWaalsContact C-N 3.32Å; D344-E346 HydrophobicContact CB-CG 3.93Å; D344-E346 PolarHBondContact O-N 3.25Å
347I89.9Confident90.1Very high9 Ų972 Ų725%0.04637%0.368CS..  trans-140.3149.4173.565-177000111I307 Q308 T311 V338 M341 I342 A349I307-I347 HydrophobicContact CG2-CD1 4.3Å; Q308-I347 HydrophobicContact CG-CG2 3.72Å; T311-I347 HydrophobicContact CG2-CG2 4.44Å; V338-I347 HydrophobicContact CG1-CD1 4.14Å; M341-I347 HydrophobicContact CB-CD1 3.61Å; M341-I347 HydrophobicContact CB-CG1 3.64Å; M341-I347 HydrophobicContact CE-CD1 4.32Å; M341-I347 HydrophobicContact CE-CG2 3.52Å; M341-I347 PolarHBondContact O-N 3.08Å; M341-I347 HydrophobicContact SD-CD1 4.22Å; I342-I347 HydrophobicContact CG1-CD1 4.41Å; I342-I347 HydrophobicContact CG1-CG1 4.03Å; I347-A349 HydrophobicContact CD1-CB 4.22Å; I347-A349 HydrophobicContact CG1-CB 4.36Å
348Y89.8Confident90.1Very high98 Ų9869 Ų6938%0.38436%0.357SS..  trans-101.7101.7169.5-60.1-82.3000108.4H361 N363 P364Y348-H361 WeakPolarHBondContact CB-O 3.44Å; Y348-H361 PolarHBondContact O-N 2.98Å; Y348-H361 VanDerWaalsContact O-O 3.12Å; Y348-N363 HydrophobicContact CD2-CB 4.45Å; Y348-N363 WeakPolarHBondContact CD2-OD1 3.15Å; Y348-N363 HydrophobicContact CE2-CB 4.24Å; Y348-N363 WeakPolarHBondContact CE2-OD1 3.17Å; Y348-P364 HydrophobicContact CD1-CG 4Å; Y348-P364 HydrophobicContact CE1-CG 3.77Å
349A90.6Very high89.9Confident14 Ų1470.9 Ų70.912%0.11637%0.369CS..EExtended strand (participates in β ladder)trans-147.6158.9-178.600000110.9V338 I342 I347 V358 C359 F360V338-A349 HydrophobicContact CG1-CB 4.44Å; I342-A349 HydrophobicContact CD1-CB 4.21Å; I342-A349 WeakPolarHBondContact CD1-O 3.27Å; I342-A349 HydrophobicContact CG1-CB 4.32Å; I347-A349 HydrophobicContact CD1-CB 4.22Å; I347-A349 HydrophobicContact CG1-CB 4.36Å; A349-V358 HydrophobicContact CB-CG1 4.05Å; A349-C359 CarbonylContact C-O 3.48Å; A349-C359 VanDerWaalsContact CA-O 3.22Å; A349-C359 WeakPolarHBondContact CA-O 3.41Å; A349-F360 HydrophobicContact CB-CD1 3.81Å; A349-F360 HydrophobicContact CB-CE1 4.29Å
350S90.8Very high89.9Confident60 Ų6066.6 Ų66.642%0.4235%0.346SS..EExtended strand (participates in β ladder)trans-125.9141.5172.9-176.80000110.1C359 H361S350-C359 PolarHBondContact N-O 3.36Å; S350-C359 PolarHBondContact O-N 3.23Å; S350-H361 WeakPolarHBondContact CB-NE2 3.38Å
351I92.1Very high89.6Confident40 Ų4067 Ų6721%0.20535%0.348CS..EExtended strand (participates in β ladder)trans-104.3121.8-177.7-54.1173.2000108.4E335 V338 L339 I342 Q353E335-I351 HydrophobicContact CG-CD1 4.13Å; E335-I351 HydrophobicContact CG-CG2 4.23Å; V338-I351 HydrophobicContact CB-CD1 4.26Å; V338-I351 HydrophobicContact CG1-CD1 3.84Å; V338-I351 HydrophobicContact CG1-CG1 3.8Å; L339-I351 HydrophobicContact CB-CD1 4.32Å; I342-I351 HydrophobicContact CD1-CD1 4.4Å; I342-I351 HydrophobicContact CD1-CG1 4.32Å; I351-Q353 HydrophobicContact CG2-CG 4.3Å
352N91.1Very high88.8Confident58 Ų5874.4 Ų74.431%0.3139%0.388SS..EExtended strand (participates in β ladder)trans-103.399.8170.7-176.3-11.7000109.6K354 D355 G356 M357N352-K354 VanDerWaalsContact C-N 3.32Å; N352-K354 PolarHBondContact O-N 2.86Å; N352-K354 PolarHBondContact OD1-N 3.31Å; N352-K354 VanDerWaalsContact OD1-N 3.11Å; N352-D355 PolarHBondContact ND2-OD2 3.02Å; N352-D355 PolarHBondContact OD1-N 3.02Å; N352-G356 PolarHBondContact O-N 2.87Å; N352-M357 PolarHBondContact N-O 3.32Å; N352-M357 PolarHBondContact O-N 3.15Å; N352-M357 VanDerWaalsContact O-N 3.13Å
353Q87.6Confident88Confident148 Ų14876.5 Ų76.569%0.69240%0.4SS*.THydrogen-bonded Turntrans-68.3-26.8-178.8-73.1-178.3-14.300113.8E335 I351E335-Q353 PolarHBondContact OE1-NE2 3.1Å; I351-Q353 HydrophobicContact CG2-CG 4.3Å
354K86.9Confident87Confident199 Ų19973.8 Ų73.887%0.86540%0.395SS*.THydrogen-bonded Turntrans-68.1-40.7-179.7-68.3-175178.8-179.50111.5N352N352-K354 VanDerWaalsContact C-N 3.32Å; N352-K354 PolarHBondContact O-N 2.86Å; N352-K354 PolarHBondContact OD1-N 3.31Å; N352-K354 VanDerWaalsContact OD1-N 3.11Å
355D84.8Confident86.4Confident115 Ų11572.7 Ų72.762%0.61539%0.387SS*.THydrogen-bonded Turntrans-99-7.4-176.6-57.1-40.2000112.6N352 M357N352-D355 PolarHBondContact ND2-OD2 3.02Å; N352-D355 PolarHBondContact OD1-N 3.02Å; D355-M357 VanDerWaalsContact C-N 3.33Å; D355-M357 HydrophobicContact CB-CG 4.05Å; D355-M357 PolarHBondContact O-N 3.42Å
356G89.8Confident86.1Confident22 Ų2278.6 Ų78.623%0.22740%0.4CS..THydrogen-bonded Turntrans66.433.5-17800000113.3S318 L319 N352S318-G356 WeakPolarHBondContact CA-O 3.14Å; S318-G356 PolarHBondContact OG-O 2.81Å; L319-G356 PolarHBondContact N-O 3.22Å; N352-G356 PolarHBondContact O-N 2.87Å
357M90.7Very high85.8Confident69 Ų6983.3 Ų83.334%0.3442%0.416SS..EExtended strand (participates in β ladder)trans-118.6146.5-172.1-66.2-66.7-131.400112T316 S318 N352 D355T316-M357 HydrophobicContact CG2-CB 4.09Å; T316-M357 HydrophobicContact CG2-CE 4.3Å; T316-M357 HydrophobicContact CG2-CG 4.4Å; T316-M357 HydrophobicContact CG2-SD 4.38Å; S318-M357 WeakPolarHBondContact CA-SD 3.31Å; S318-M357 PolarHBondContact N-SD 2.77Å; S318-M357 VanDerWaalsContact N-SD 3.45Å; N352-M357 PolarHBondContact N-O 3.32Å; N352-M357 PolarHBondContact O-N 3.15Å; N352-M357 VanDerWaalsContact O-N 3.13Å; D355-M357 VanDerWaalsContact C-N 3.33Å; D355-M357 HydrophobicContact CB-CG 4.05Å; D355-M357 PolarHBondContact O-N 3.42Å
358V91.8Very high85.6Confident0 Ų088.5 Ų88.50%044%0.444CS..EExtended strand (participates in β ladder)trans-109.1122.9169.6-177.90000108.4T316 L317 L319 M322 V338 A349 F360T316-V358 CarbonylContact C-O 3.59Å; T316-V358 WeakPolarHBondContact CA-O 3.4Å; L317-V358 PolarHBondContact N-O 2.61Å; L317-V358 PolarHBondContact O-N 2.69Å; L319-V358 HydrophobicContact CD2-CG2 3.45Å; L319-V358 VanDerWaalsContact CD2-CG2 3.45Å; L319-V358 HydrophobicContact CG-CG2 3.99Å; M322-V358 HydrophobicContact CE-CB 3.79Å; M322-V358 HydrophobicContact CE-CG1 4Å; M322-V358 HydrophobicContact CE-CG2 3.69Å; V338-V358 HydrophobicContact CG1-CG1 4.06Å; V338-V358 HydrophobicContact CG2-CG2 4.42Å; A349-V358 HydrophobicContact CB-CG1 4.05Å; V358-F360 HydrophobicContact CG1-CD1 4.2Å; V358-F360 HydrophobicContact CG1-CE1 3.78Å; V358-F360 HydrophobicContact CG1-CZ 4.07Å
359C89.9Confident85.5Confident38 Ų3887.2 Ų87.226%0.25744%0.444SS..EExtended strand (participates in β ladder)trans-101.3117.6174.7-65.40000108.9L315 A349 S350L315-C359 CarbonylContact O-C 3.54Å; A349-C359 CarbonylContact C-O 3.48Å; A349-C359 VanDerWaalsContact CA-O 3.22Å; A349-C359 WeakPolarHBondContact CA-O 3.41Å; S350-C359 PolarHBondContact N-O 3.36Å; S350-C359 PolarHBondContact O-N 3.23Å
360F91.3Very high85.5Confident6 Ų691.1 Ų91.13%0.02647%0.468CS..EExtended strand (participates in β ladder)trans-83.3140.8174.3-58.7-63.8000110L310 T311 F314 L315 L317 M322 A349 V358L310-F360 HydrophobicContact CB-CE2 4.27Å; L310-F360 HydrophobicContact CB-CZ 4.19Å; T311-F360 HydrophobicContact CG2-CD1 3.52Å; T311-F360 HydrophobicContact CG2-CE1 3.73Å; T311-F360 HydrophobicContact CG2-CG 4Å; T311-F360 HydrophobicContact CG2-CZ 4.36Å; F314-F360 HydrophobicContact CB-CD2 4.38Å; F314-F360 HydrophobicContact CB-CE2 4.28Å; F314-F360 VanDerWaalsContact O-CD2 3.24Å; F314-F360 WeakPolarHBondContact O-CD2 3.35Å; L315-F360 WeakPolarHBondContact CD1-O 3.34Å; L315-F360 PolarHBondContact O-N 3.02Å; L317-F360 HydrophobicContact CB-CE2 4.12Å; M322-F360 HydrophobicContact CE-CE1 4.35Å; M322-F360 HydrophobicContact CE-CZ 3.68Å; A349-F360 HydrophobicContact CB-CD1 3.81Å; A349-F360 HydrophobicContact CB-CE1 4.29Å; V358-F360 HydrophobicContact CG1-CD1 4.2Å; V358-F360 HydrophobicContact CG1-CE1 3.78Å; V358-F360 HydrophobicContact CG1-CZ 4.07Å
361H86.9Confident85.4Confident107 Ų10791.3 Ų91.350%0.49547%0.473SS..  trans-121.2152.3178.2-59-55000109.2Y348 S350Y348-H361 WeakPolarHBondContact CB-O 3.44Å; Y348-H361 PolarHBondContact O-N 2.98Å; Y348-H361 VanDerWaalsContact O-O 3.12Å; S350-H361 WeakPolarHBondContact CB-NE2 3.38Å
362D74.3Confident85.2Confident156 Ų15690.6 Ų90.683%0.83447%0.469SS*.  trans-76.3159.4168.6-82-32000110.8
363N74.6Confident85.2Confident103 Ų10392.8 Ų92.855%0.55148%0.48SS*.  trans-48.9128.1178.1-73.58000110.5Y348 E365Y348-N363 HydrophobicContact CD2-CB 4.45Å; Y348-N363 WeakPolarHBondContact CD2-OD1 3.15Å; Y348-N363 HydrophobicContact CE2-CB 4.24Å; Y348-N363 WeakPolarHBondContact CE2-OD1 3.17Å; N363-E365 PolarHBondContact O-N 3.29Å
364P71.3Confident85.4Confident91 Ų9191.5 Ų91.559%0.59147%0.474SS*.SBendtrans-71.8-15.4-176.627.9-34.3000113.3Y348 K366Y348-P364 HydrophobicContact CD1-CG 4Å; Y348-P364 HydrophobicContact CE1-CG 3.77Å; P364-K366 PolarHBondContact O-N 3.5Å
365E75.8Confident85.5Confident77 Ų7787.8 Ų87.836%0.3646%0.458SS..  trans-72.4109.2-177.4-160.583.8-126.900111.3N363 Y367 N369 M372N363-E365 PolarHBondContact O-N 3.29Å; E365-Y367 VanDerWaalsContact C-N 3.33Å; E365-N369 PolarHBondContact OE1-ND2 3.2Å; E365-M372 HydrophobicContact CG-CG 4.19Å; E365-M372 HydrophobicContact CG-SD 4.17Å; E365-M372 WeakPolarHBondContact OE1-CG 3.07Å
366K80Confident85.9Confident167 Ų16787 Ų8773%0.72645%0.453SS*.  trans-91.79.7175.7-66.5-174.5178.8-179.20113.7P364 N368P364-K366 PolarHBondContact O-N 3.5Å; K366-N368 PolarHBondContact O-N 3.45Å; K366-N368 VanDerWaalsContact O-N 3.1Å
367Y82.3Confident86Confident172 Ų17288.9 Ų88.968%0.67546%0.457SS*.SBendtrans59.316.4-179.7-58.4-83.5000116E365 M372E365-Y367 VanDerWaalsContact C-N 3.33Å; Y367-M372 HydrophobicContact CD1-CE 3.69Å; Y367-M372 HydrophobicContact CD1-CG 4.44Å; Y367-M372 HydrophobicContact CD1-SD 4.16Å; Y367-M372 HydrophobicContact CE1-CE 4.08Å; Y367-M372 HydrophobicContact CE1-SD 4.49Å
368N86.1Confident86.1Confident119 Ų11991.2 Ų91.264%0.63647%0.467SS*.  trans-109.46.6-177.163.4-11.3000113.4K366K366-N368 PolarHBondContact O-N 3.45Å; K366-N368 VanDerWaalsContact O-N 3.1Å
369N88Confident86.1Confident71 Ų7195.4 Ų95.438%0.3849%0.487SS..SBendtrans-86.1148.9-177-67.3-29.6000111.5E365 A371 M372 L373E365-N369 PolarHBondContact OE1-ND2 3.2Å; N369-A371 HydrophobicContact CB-CB 4.44Å; N369-A371 PolarHBondContact O-N 3.45Å; N369-M372 WeakPolarHBondContact O-CB 3.25Å; N369-M372 PolarHBondContact O-N 3.43Å; N369-L373 PolarHBondContact O-N 2.89Å
370P89.6Confident86.3Confident95 Ų9598.2 Ų98.262%0.61750%0.498SS*.Hα-helixtrans-60-25.8171.625-34.1000112.7M372 L373 H374P370-M372 VanDerWaalsContact C-N 3.29Å; P370-M372 PolarHBondContact O-N 3.16Å; P370-L373 WeakPolarHBondContact O-CB 3.17Å; P370-L373 PolarHBondContact O-N 2.88Å; P370-H374 PolarHBondContact O-CD2 2.96Å; P370-H374 PolarHBondContact O-N 3.27Å
371A88.3Confident86.5Confident64 Ų64103.2 Ų103.253%0.52952%0.524SS..Hα-helixtrans-61.2-36.3172.200000112.6N369 H374 K375N369-A371 HydrophobicContact CB-CB 4.44Å; N369-A371 PolarHBondContact O-N 3.45Å; A371-H374 PolarHBondContact O-N 3.43Å; A371-K375 WeakPolarHBondContact O-CB 3.42Å; A371-K375 PolarHBondContact O-N 2.92Å
372M88.6Confident86.6Confident26 Ų26103.5 Ų103.513%0.12852%0.524CS..Hα-helixtrans-71.9-36176.2-77.7-62.4-42.100112E365 Y367 N369 P370 K375 I376E365-M372 HydrophobicContact CG-CG 4.19Å; E365-M372 HydrophobicContact CG-SD 4.17Å; E365-M372 WeakPolarHBondContact OE1-CG 3.07Å; Y367-M372 HydrophobicContact CD1-CE 3.69Å; Y367-M372 HydrophobicContact CD1-CG 4.44Å; Y367-M372 HydrophobicContact CD1-SD 4.16Å; Y367-M372 HydrophobicContact CE1-CE 4.08Å; Y367-M372 HydrophobicContact CE1-SD 4.49Å; N369-M372 WeakPolarHBondContact O-CB 3.25Å; N369-M372 PolarHBondContact O-N 3.43Å; P370-M372 VanDerWaalsContact C-N 3.29Å; P370-M372 PolarHBondContact O-N 3.16Å; M372-K375 HydrophobicContact CE-CD 4.36Å; M372-K375 PolarHBondContact O-N 3.49Å; M372-K375 HydrophobicContact SD-CD 4.26Å; M372-I376 VanDerWaalsContact O-CG1 3.28Å; M372-I376 WeakPolarHBondContact O-CG1 3.49Å; M372-I376 PolarHBondContact O-N 2.97Å
373L90.3Very high87.5Confident103 Ų103100 Ų10054%0.53951%0.51SS..Hα-helixtrans-59.5-50.3171.2-178.565.5000110.6N369 P370 K375 I376 D377N369-L373 PolarHBondContact O-N 2.89Å; P370-L373 WeakPolarHBondContact O-CB 3.17Å; P370-L373 PolarHBondContact O-N 2.88Å; L373-K375 VanDerWaalsContact C-N 3.3Å; L373-K375 PolarHBondContact O-N 3.4Å; L373-I376 PolarHBondContact O-N 3.39Å; L373-I376 VanDerWaalsContact O-N 3.15Å; L373-D377 PolarHBondContact O-N 2.87Å
374H91.6Very high88.4Confident121 Ų12199 Ų9956%0.5650%0.504SS*.Hα-helixtrans-59.3-38.8176-79.6-59.3000113.3P370 A371 D377 Q378P370-H374 PolarHBondContact O-CD2 2.96Å; P370-H374 PolarHBondContact O-N 3.27Å; A371-H374 PolarHBondContact O-N 3.43Å; H374-D377 PolarHBondContact O-N 3.2Å; H374-Q378 WeakPolarHBondContact O-CB 3.35Å; H374-Q378 VanDerWaalsContact O-CG 3.3Å; H374-Q378 WeakPolarHBondContact O-CG 3.31Å; H374-Q378 PolarHBondContact O-N 3.49Å
375K90.1Very high89.3Confident121 Ų12199.9 Ų99.953%0.52650%0.501SS..Hα-helixtrans-64.4-43.3175.7-172.8175.3-178.91770111.5A371 M372 L373 Q378 E379A371-K375 WeakPolarHBondContact O-CB 3.42Å; A371-K375 PolarHBondContact O-N 2.92Å; M372-K375 HydrophobicContact CE-CD 4.36Å; M372-K375 PolarHBondContact O-N 3.49Å; M372-K375 HydrophobicContact SD-CD 4.26Å; L373-K375 VanDerWaalsContact C-N 3.3Å; L373-K375 PolarHBondContact O-N 3.4Å; K375-Q378 PolarHBondContact O-N 2.89Å; K375-E379 WeakPolarHBondContact O-CG 3.44Å; K375-E379 PolarHBondContact O-N 3.26Å
376I92.3Very high90Very high100 Ų100100.9 Ų100.951%0.51351%0.508SS..Hα-helixtrans-63.2-45176.1-69.7166.4000110.3M372 L373 Q378 E379 M380M372-I376 VanDerWaalsContact O-CG1 3.28Å; M372-I376 WeakPolarHBondContact O-CG1 3.49Å; M372-I376 PolarHBondContact O-N 2.97Å; L373-I376 PolarHBondContact O-N 3.39Å; L373-I376 VanDerWaalsContact O-N 3.15Å; I376-Q378 VanDerWaalsContact C-N 3.32Å; I376-Q378 PolarHBondContact O-N 3Å; I376-E379 PolarHBondContact O-N 2.91Å; I376-M380 VanDerWaalsContact O-CB 3.28Å; I376-M380 WeakPolarHBondContact O-CB 3.44Å; I376-M380 PolarHBondContact O-N 3.47Å
377D93.4Very high90.5Very high60 Ų6096.5 Ų96.532%0.32149%0.492SS..Hα-helixtrans-60-42.3177.4-70.5-22.9000111.5L373 H374 M380 L381L373-D377 PolarHBondContact O-N 2.87Å; H374-D377 PolarHBondContact O-N 3.2Å; D377-M380 PolarHBondContact O-N 3.29Å; D377-L381 VanDerWaalsContact O-CG 3.31Å; D377-L381 WeakPolarHBondContact O-CG 3.28Å; D377-L381 PolarHBondContact O-N 2.99Å
378Q92.4Very high90.9Very high118 Ų11893.4 Ų93.455%0.55148%0.484SS*.Hα-helixtrans-64.4-45.5176.2-75.5177-1.900112.7H374 K375 I376 M380 L381 K382H374-Q378 WeakPolarHBondContact O-CB 3.35Å; H374-Q378 VanDerWaalsContact O-CG 3.3Å; H374-Q378 WeakPolarHBondContact O-CG 3.31Å; H374-Q378 PolarHBondContact O-N 3.49Å; K375-Q378 PolarHBondContact O-N 2.89Å; I376-Q378 VanDerWaalsContact C-N 3.32Å; I376-Q378 PolarHBondContact O-N 3Å; Q378-M380 VanDerWaalsContact C-N 3.32Å; Q378-L381 PolarHBondContact O-N 3.41Å; Q378-K382 WeakPolarHBondContact O-CG 3.44Å; Q378-K382 PolarHBondContact O-N 2.98Å; Q378-K382 VanDerWaalsContact O-N 3.1Å
379E91.9Very high90.9Very high88 Ų8890.2 Ų90.241%0.41147%0.465SS..Hα-helixtrans-66.3-35.9176.6-66.9-55.9125.200111.5K375 I376 K382 C383K375-E379 WeakPolarHBondContact O-CG 3.44Å; K375-E379 PolarHBondContact O-N 3.26Å; I376-E379 PolarHBondContact O-N 2.91Å; E379-K382 PolarHBondContact O-N 3.06Å; E379-K382 IonicContact OE1-NZ 3.01Å; E379-K382 PolarHBondContact OE1-NZ 3.04Å; E379-K382 IonicContact OE2-NZ 3.24Å; E379-C383 PolarHBondContact O-N 3.35Å; E379-C383 PolarHBondContact O-SG 3.35Å; E379-C383 VanDerWaalsContact O-SG 3.38Å
380M93.4Very high91Very high97 Ų9791.2 Ų91.248%0.47847%0.469SS..Hα-helixtrans-63.3-43.9173.7-174.6178.967.400111.5I376 D377 Q378 K382 C383 I384I376-M380 VanDerWaalsContact O-CB 3.28Å; I376-M380 WeakPolarHBondContact O-CB 3.44Å; I376-M380 PolarHBondContact O-N 3.47Å; D377-M380 PolarHBondContact O-N 3.29Å; Q378-M380 VanDerWaalsContact C-N 3.32Å; M380-K382 VanDerWaalsContact C-N 3.33Å; M380-K382 PolarHBondContact O-N 3.14Å; M380-C383 WeakPolarHBondContact O-CB 3.17Å; M380-C383 PolarHBondContact O-N 3.35Å; M380-I384 HydrophobicContact CG-CD1 4.08Å; M380-I384 WeakPolarHBondContact O-CG1 3.3Å; M380-I384 PolarHBondContact O-N 3.35Å
381L94.4Very high91Very high111 Ų11191.6 Ų91.658%0.58146%0.461SS*.Hα-helixtrans-60.8-40.3175.6-74.5171.1000112.2D377 Q378 C383 I384 E385D377-L381 VanDerWaalsContact O-CG 3.31Å; D377-L381 WeakPolarHBondContact O-CG 3.28Å; D377-L381 PolarHBondContact O-N 2.99Å; Q378-L381 PolarHBondContact O-N 3.41Å; L381-C383 VanDerWaalsContact C-N 3.35Å; L381-I384 PolarHBondContact O-N 3.39Å; L381-E385 PolarHBondContact O-N 3.3Å
382K90.5Very high90.9Very high113 Ų11391.4 Ų91.449%0.49146%0.456SS..Hα-helixtrans-62.2-41.7173.7-68.9173.7-174.2170.10112Q378 E379 M380 E385 L386Q378-K382 WeakPolarHBondContact O-CG 3.44Å; Q378-K382 PolarHBondContact O-N 2.98Å; Q378-K382 VanDerWaalsContact O-N 3.1Å; E379-K382 PolarHBondContact O-N 3.06Å; E379-K382 IonicContact OE1-NZ 3.01Å; E379-K382 PolarHBondContact OE1-NZ 3.04Å; E379-K382 IonicContact OE2-NZ 3.24Å; M380-K382 VanDerWaalsContact C-N 3.33Å; M380-K382 PolarHBondContact O-N 3.14Å; K382-E385 PolarHBondContact O-N 3.11Å; K382-L386 WeakPolarHBondContact O-CB 3.14Å; K382-L386 PolarHBondContact O-N 3.41Å
383C92.5Very high90.8Very high82 Ų8293.5 Ų93.555%0.55447%0.466SS*.Hα-helixtrans-64.4-40.2175.7-71.40000112.2E379 M380 L381 L386 D387E379-C383 PolarHBondContact O-N 3.35Å; E379-C383 PolarHBondContact O-SG 3.35Å; E379-C383 VanDerWaalsContact O-SG 3.38Å; M380-C383 WeakPolarHBondContact O-CB 3.17Å; M380-C383 PolarHBondContact O-N 3.35Å; L381-C383 VanDerWaalsContact C-N 3.35Å; C383-L386 PolarHBondContact O-N 3.03Å; C383-D387 WeakPolarHBondContact O-CB 3.42Å; C383-D387 PolarHBondContact O-N 3.35Å
384I93.8Very high90.6Very high83 Ų8393.5 Ų93.543%0.42647%0.467SS..Hα-helixtrans-63.1-45.4174.9-67.8164.3000110.3M380 L381 L386 D387 E388M380-I384 HydrophobicContact CG-CD1 4.08Å; M380-I384 WeakPolarHBondContact O-CG1 3.3Å; M380-I384 PolarHBondContact O-N 3.35Å; L381-I384 PolarHBondContact O-N 3.39Å; I384-L386 VanDerWaalsContact C-N 3.29Å; I384-L386 PolarHBondContact O-N 3.08Å; I384-D387 PolarHBondContact O-N 3Å; I384-E388 WeakPolarHBondContact O-CG 3.41Å; I384-E388 PolarHBondContact O-N 3.15Å
385E89.7Confident90.5Very high109 Ų10994 Ų9451%0.50947%0.47SS..Hα-helixtrans-61.1-39.7176.7-168.1-170.8155.800111.8L381 K382 K389L381-E385 PolarHBondContact O-N 3.3Å; K382-E385 PolarHBondContact O-N 3.11Å; E385-K389 WeakPolarHBondContact O-CG 3.23Å; E385-K389 PolarHBondContact O-N 3.23Å; E385-K389 VanDerWaalsContact OE1-CE 3.26Å; E385-K389 WeakPolarHBondContact OE1-CE 3.48Å; E385-K389 IonicContact OE1-NZ 2.68Å; E385-K389 PolarHBondContact OE1-NZ 3.39Å
386L89.9Confident90.2Very high98 Ų9894.8 Ų94.851%0.51348%0.475SS..Hα-helixtrans-65.5-40.8175.1-176.662.8000112.1K382 C383 I384 K389 L390K382-L386 WeakPolarHBondContact O-CB 3.14Å; K382-L386 PolarHBondContact O-N 3.41Å; C383-L386 PolarHBondContact O-N 3.03Å; I384-L386 VanDerWaalsContact C-N 3.29Å; I384-L386 PolarHBondContact O-N 3.08Å; L386-K389 PolarHBondContact O-N 3.46Å; L386-L390 HydrophobicContact CG-CD1 4.21Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.3Å; L386-L390 PolarHBondContact O-N 2.87Å
387D91.9Very high89.8Confident75 Ų7594.2 Ų94.240%0.40147%0.472SS..Hα-helixtrans-63.6-43.6176.9-176.366.7000111.9C383 I384 K389 L390 K391C383-D387 WeakPolarHBondContact O-CB 3.42Å; C383-D387 PolarHBondContact O-N 3.35Å; I384-D387 PolarHBondContact O-N 3Å; D387-K389 VanDerWaalsContact C-N 3.33Å; D387-K389 PolarHBondContact O-N 3.01Å; D387-L390 WeakPolarHBondContact O-CB 3.16Å; D387-L390 PolarHBondContact O-N 2.9Å; D387-K391 WeakPolarHBondContact O-CG 3.34Å; D387-K391 PolarHBondContact O-N 3.37Å; D387-K391 WeakPolarHBondContact OD2-CE 3.33Å; D387-K391 IonicContact OD2-NZ 3.59Å; D387-K391 PolarHBondContact OD2-NZ 3.34Å
388E90.6Very high89.4Confident107 Ų10794.7 Ų94.750%0.548%0.477SS..Hα-helixtrans-63.5-38.7174.8-69.6-60.2128.900111.9I384 K391 S392I384-E388 WeakPolarHBondContact O-CG 3.41Å; I384-E388 PolarHBondContact O-N 3.15Å; E388-K391 PolarHBondContact O-N 3.22Å; E388-K391 IonicContact OE1-NZ 3Å; E388-K391 PolarHBondContact OE1-NZ 3.3Å; E388-S392 PolarHBondContact O-N 3.03Å
389K86.1Confident89.1Confident53 Ų5394.2 Ų94.223%0.2348%0.482CS..Hα-helixtrans-63.7-42.4172.2-73.6172.1-175.7170.70112M167 E385 L386 D387 S392 M393M167-K389 HydrophobicContact CE-CB 4.19Å; M167-K389 HydrophobicContact CE-CD 3.83Å; M167-K389 HydrophobicContact CE-CG 3.93Å; M167-K389 HydrophobicContact SD-CB 4.26Å; M167-K389 HydrophobicContact SD-CD 3.98Å; M167-K389 HydrophobicContact SD-CG 4.41Å; E385-K389 WeakPolarHBondContact O-CG 3.23Å; E385-K389 PolarHBondContact O-N 3.23Å; E385-K389 VanDerWaalsContact OE1-CE 3.26Å; E385-K389 WeakPolarHBondContact OE1-CE 3.48Å; E385-K389 IonicContact OE1-NZ 2.68Å; E385-K389 PolarHBondContact OE1-NZ 3.39Å; L386-K389 PolarHBondContact O-N 3.46Å; D387-K389 VanDerWaalsContact C-N 3.33Å; D387-K389 PolarHBondContact O-N 3.01Å; K389-S392 PolarHBondContact O-N 3.5Å; K389-M393 WeakPolarHBondContact O-CG 3.32Å; K389-M393 PolarHBondContact O-N 2.92Å
390L89.2Confident88.6Confident91 Ų9193.3 Ų93.348%0.47648%0.48SS..Hα-helixtrans-61.9-43.2176.5-75.1165.4000111.7L386 D387 S392 M393 D394L386-L390 HydrophobicContact CG-CD1 4.21Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.3Å; L386-L390 PolarHBondContact O-N 2.87Å; D387-L390 WeakPolarHBondContact O-CB 3.16Å; D387-L390 PolarHBondContact O-N 2.9Å; L390-S392 PolarHBondContact O-N 3.41Å; L390-M393 HydrophobicContact CD2-CE 3.7Å; L390-M393 HydrophobicContact CG-CE 4.24Å; L390-M393 PolarHBondContact O-N 2.78Å; L390-D394 WeakPolarHBondContact O-CB 3.26Å; L390-D394 PolarHBondContact O-N 3.49Å
391K89.7Confident87.6Confident104 Ų10493.2 Ų93.245%0.45249%0.487SS..Hα-helixtrans-60.3-43.6174-73.8167.5177.8151.40112.2D387 E388 M393 D394 Q395D387-K391 WeakPolarHBondContact O-CG 3.34Å; D387-K391 PolarHBondContact O-N 3.37Å; D387-K391 WeakPolarHBondContact OD2-CE 3.33Å; D387-K391 IonicContact OD2-NZ 3.59Å; D387-K391 PolarHBondContact OD2-NZ 3.34Å; E388-K391 PolarHBondContact O-N 3.22Å; E388-K391 IonicContact OE1-NZ 3Å; E388-K391 PolarHBondContact OE1-NZ 3.3Å; K391-M393 VanDerWaalsContact C-N 3.35Å; K391-M393 PolarHBondContact O-N 2.88Å; K391-D394 PolarHBondContact O-N 3.34Å; K391-Q395 WeakPolarHBondContact O-CB 3.32Å; K391-Q395 PolarHBondContact O-N 2.95Å
392S87Confident86.4Confident59 Ų5994.6 Ų94.641%0.41349%0.49SS..Hα-helixtrans-61-43.9176.3-171.20000111.6E388 K389 L390 Q395 E396E388-S392 PolarHBondContact O-N 3.03Å; K389-S392 PolarHBondContact O-N 3.5Å; L390-S392 PolarHBondContact O-N 3.41Å; S392-Q395 PolarHBondContact O-N 3.37Å; S392-E396 PolarHBondContact O-N 3.26Å
393M85.4Confident85.3Confident70 Ų7093.8 Ų93.835%0.34549%0.487SS..Hα-helixtrans-65.7-40.9177.1-71-173.8-65.800112.1M167 K389 L390 K391 Q395 E396 I397M167-M393 HydrophobicContact SD-SD 4.34Å; K389-M393 WeakPolarHBondContact O-CG 3.32Å; K389-M393 PolarHBondContact O-N 2.92Å; L390-M393 HydrophobicContact CD2-CE 3.7Å; L390-M393 HydrophobicContact CG-CE 4.24Å; L390-M393 PolarHBondContact O-N 2.78Å; K391-M393 VanDerWaalsContact C-N 3.35Å; K391-M393 PolarHBondContact O-N 2.88Å; M393-Q395 VanDerWaalsContact C-N 3.34Å; M393-Q395 PolarHBondContact O-N 3.18Å; M393-E396 PolarHBondContact O-N 3.28Å; M393-I397 VanDerWaalsContact O-CG1 3.3Å; M393-I397 WeakPolarHBondContact O-CG1 3.42Å; M393-I397 PolarHBondContact O-N 3.4Å
394D87.2Confident84.2Confident103 Ų10392.8 Ų92.855%0.55148%0.478SS*.Hα-helixtrans-63.8-39.6176.6-171.456.4000111.9L390 K391 I397 T398L390-D394 WeakPolarHBondContact O-CB 3.26Å; L390-D394 PolarHBondContact O-N 3.49Å; K391-D394 PolarHBondContact O-N 3.34Å; D394-I397 PolarHBondContact O-N 2.98Å; D394-T398 WeakPolarHBondContact O-CB 3.3Å; D394-T398 PolarHBondContact O-N 3.46Å; D394-T398 PolarHBondContact O-OG1 3.33Å
395Q88.1Confident82.8Confident133 Ų13396 Ų9662%0.62149%0.491SS*.Hα-helixtrans-62.2-45.6173.4-173.4178.51.400111.6K391 S392 M393 I397 T398 V399K391-Q395 WeakPolarHBondContact O-CB 3.32Å; K391-Q395 PolarHBondContact O-N 2.95Å; S392-Q395 PolarHBondContact O-N 3.37Å; M393-Q395 VanDerWaalsContact C-N 3.34Å; M393-Q395 PolarHBondContact O-N 3.18Å; Q395-I397 PolarHBondContact O-N 3.24Å; Q395-T398 PolarHBondContact O-N 3.48Å; Q395-V399 VanDerWaalsContact O-CG2 3.26Å; Q395-V399 WeakPolarHBondContact O-CG2 3.24Å; Q395-V399 PolarHBondContact O-N 2.68Å
396E84.4Confident81.6Confident137 Ų13798.7 Ų98.764%0.6450%0.501SS*.Hα-helixtrans-61.7-41.8176.7-75.8-177.8-171.500112.5S392 M393 V399 N400S392-E396 PolarHBondContact O-N 3.26Å; M393-E396 PolarHBondContact O-N 3.28Å; E396-V399 PolarHBondContact O-N 3.48Å; E396-N400 PolarHBondContact O-N 3Å
397I85.3Confident80.3Confident87 Ų8797.3 Ų97.345%0.44650%0.5SS..Hα-helixtrans-64.5-42.6176-67.8166.8000110.6M393 D394 Q395 V399 N400 F403M393-I397 VanDerWaalsContact O-CG1 3.3Å; M393-I397 WeakPolarHBondContact O-CG1 3.42Å; M393-I397 PolarHBondContact O-N 3.4Å; D394-I397 PolarHBondContact O-N 2.98Å; Q395-I397 PolarHBondContact O-N 3.24Å; I397-V399 VanDerWaalsContact C-N 3.34Å; I397-V399 PolarHBondContact O-N 3.47Å; I397-N400 VanDerWaalsContact O-CB 3.25Å; I397-N400 WeakPolarHBondContact O-CB 3.38Å; I397-N400 PolarHBondContact O-N 3.14Å; I397-N400 VanDerWaalsContact O-N 3.14Å; I397-F403 HydrophobicContact CG2-CD1 4.3Å; I397-F403 HydrophobicContact CG2-CD2 3.94Å; I397-F403 HydrophobicContact CG2-CE1 4.49Å; I397-F403 HydrophobicContact CG2-CE2 4.16Å; I397-F403 HydrophobicContact CG2-CG 4.02Å; I397-F403 HydrophobicContact CG2-CZ 4.42Å; I397-F403 WeakPolarHBondContact O-CB 3.26Å
398T83.6Confident78.8Confident71 Ų71100.7 Ų100.744%0.43652%0.515SS..Hα-helixtrans-65-36.8-179.4-61.50000112.2D394 Q395 N400 V404D394-T398 WeakPolarHBondContact O-CB 3.3Å; D394-T398 PolarHBondContact O-N 3.46Å; D394-T398 PolarHBondContact O-OG1 3.33Å; Q395-T398 PolarHBondContact O-N 3.48Å; T398-N400 VanDerWaalsContact C-N 3.26Å; T398-N400 PolarHBondContact O-N 3.45Å; T398-V404 VanDerWaalsContact O-CG2 3.24Å; T398-V404 WeakPolarHBondContact O-CG2 3.25Å
399V85.6Confident77Confident107 Ų10798.2 Ų98.265%0.64852%0.519SS*.Hα-helixtrans-76.6-14.7177.9177.10000111.8Q395 E396 I397 P401Q395-V399 VanDerWaalsContact O-CG2 3.26Å; Q395-V399 WeakPolarHBondContact O-CG2 3.24Å; Q395-V399 PolarHBondContact O-N 2.68Å; E396-V399 PolarHBondContact O-N 3.48Å; I397-V399 VanDerWaalsContact C-N 3.34Å; I397-V399 PolarHBondContact O-N 3.47Å; V399-P401 WeakPolarHBondContact O-CD 3.48Å
400N81.7Confident75.2Confident70 Ų70100.8 Ų100.837%0.37454%0.543SS..  trans-67.6120.3-177.8-169.8-31.4000111.4E396 I397 T398 Q402 F403 V404E396-N400 PolarHBondContact O-N 3Å; I397-N400 VanDerWaalsContact O-CB 3.25Å; I397-N400 WeakPolarHBondContact O-CB 3.38Å; I397-N400 PolarHBondContact O-N 3.14Å; I397-N400 VanDerWaalsContact O-N 3.14Å; T398-N400 VanDerWaalsContact C-N 3.26Å; T398-N400 PolarHBondContact O-N 3.45Å; N400-Q402 PolarHBondContact O-N 3Å; N400-Q402 VanDerWaalsContact O-N 3.13Å; N400-Q402 PolarHBondContact OD1-N 3.21Å; N400-Q402 VanDerWaalsContact OD1-N 3.15Å; N400-F403 HydrophobicContact CB-CB 4.25Å; N400-F403 WeakPolarHBondContact O-CA 3.4Å; N400-F403 WeakPolarHBondContact O-CB 3.5Å; N400-F403 PolarHBondContact O-N 3.48Å; N400-V404 PolarHBondContact O-N 2.96Å
401P72.3Confident73.1Confident94 Ų94105 Ų10561%0.6156%0.56SS**Hα-helixtrans-61.2-29-174.624-35000113.4V399 V404 Q405V399-P401 WeakPolarHBondContact O-CD 3.48Å; P401-V404 PolarHBondContact O-N 3.15Å; P401-Q405 WeakPolarHBondContact O-CB 3.39Å; P401-Q405 PolarHBondContact O-N 3.13Å
402Q69.3Low70.8Confident141 Ų141108.5 Ų108.566%0.65958%0.578SS**Hα-helixtrans-71.3-32.5176.4-65.2-174.3-14.600112.4N400 K406N400-Q402 PolarHBondContact O-N 3Å; N400-Q402 VanDerWaalsContact O-N 3.13Å; N400-Q402 PolarHBondContact OD1-N 3.21Å; N400-Q402 VanDerWaalsContact OD1-N 3.15Å; Q402-K406 PolarHBondContact O-N 2.88Å
403F67.6Low68.8Low96 Ų96113.8 Ų113.842%0.42160%0.602SS.*Hα-helixtrans-72.2-45.4172.9-175.4-100.2000110.1I397 N400 Q405 K406 S407I397-F403 HydrophobicContact CG2-CD1 4.3Å; I397-F403 HydrophobicContact CG2-CD2 3.94Å; I397-F403 HydrophobicContact CG2-CE1 4.49Å; I397-F403 HydrophobicContact CG2-CE2 4.16Å; I397-F403 HydrophobicContact CG2-CG 4.02Å; I397-F403 HydrophobicContact CG2-CZ 4.42Å; I397-F403 WeakPolarHBondContact O-CB 3.26Å; N400-F403 HydrophobicContact CB-CB 4.25Å; N400-F403 WeakPolarHBondContact O-CA 3.4Å; N400-F403 WeakPolarHBondContact O-CB 3.5Å; N400-F403 PolarHBondContact O-N 3.48Å; F403-Q405 PolarHBondContact O-N 2.86Å; F403-K406 PolarHBondContact O-N 2.89Å; F403-S407 VanDerWaalsContact O-CB 3.25Å; F403-S407 WeakPolarHBondContact O-CB 3.4Å; F403-S407 PolarHBondContact O-N 3.24Å; F403-S407 PolarHBondContact O-OG 3.44Å
404V69.2Low66.7Low61 Ų61118 Ų11837%0.3763%0.626SS.*Hα-helixtrans-58.5-44.3175.4178.90000111.7T398 N400 P401 S407 M408T398-V404 VanDerWaalsContact O-CG2 3.24Å; T398-V404 WeakPolarHBondContact O-CG2 3.25Å; N400-V404 PolarHBondContact O-N 2.96Å; P401-V404 PolarHBondContact O-N 3.15Å; V404-S407 PolarHBondContact O-N 2.85Å; V404-M408 HydrophobicContact CG1-CG 4.44Å; V404-M408 HydrophobicContact CG1-SD 4.03Å; V404-M408 VanDerWaalsContact O-CB 3.29Å; V404-M408 WeakPolarHBondContact O-CB 3.29Å; V404-M408 WeakPolarHBondContact O-CG 3.25Å; V404-M408 PolarHBondContact O-N 2.83Å
405Q64.8Low64.5Low149 Ų149120 Ų12070%0.69664%0.641SS**Hα-helixtrans-63.3-40.8176.4-107.7179.6-15.400113.3P401 F403 G409P401-Q405 WeakPolarHBondContact O-CB 3.39Å; P401-Q405 PolarHBondContact O-N 3.13Å; F403-Q405 PolarHBondContact O-N 2.86Å; Q405-G409 WeakPolarHBondContact O-CA 3.38Å; Q405-G409 PolarHBondContact O-N 3.41Å
406K65.3Low62.3Low167 Ų167117 Ų11773%0.72665%0.646SS**Hα-helixtrans-72.4-37.2177.6-79.6-174.7175.9-179.30112.6Q402 F403 S410Q402-K406 PolarHBondContact O-N 2.88Å; F403-K406 PolarHBondContact O-N 2.89Å; K406-S410 PolarHBondContact O-OG 3.31Å; K406-S410 VanDerWaalsContact O-OG 3.13Å
407S61.9Low60Low69 Ų69116.3 Ų116.348%0.48366%0.657SS.*Hα-helixtrans-70.5-33.5178.1-60.50000112F403 V404F403-S407 VanDerWaalsContact O-CB 3.25Å; F403-S407 WeakPolarHBondContact O-CB 3.4Å; F403-S407 PolarHBondContact O-N 3.24Å; F403-S407 PolarHBondContact O-OG 3.44Å; V404-S407 PolarHBondContact O-N 2.85Å
408M60.1Low57.7Low145 Ų145121.3 Ų121.371%0.71468%0.675SS**Hα-helixtrans-86.1-28.1174.1-72.3-170.346.500114V404 S410V404-M408 HydrophobicContact CG1-CG 4.44Å; V404-M408 HydrophobicContact CG1-SD 4.03Å; V404-M408 VanDerWaalsContact O-CB 3.29Å; V404-M408 WeakPolarHBondContact O-CB 3.29Å; V404-M408 WeakPolarHBondContact O-CG 3.25Å; V404-M408 PolarHBondContact O-N 2.83Å; M408-S410 VanDerWaalsContact C-N 3.28Å; M408-S410 PolarHBondContact O-N 3.13Å
409G53.3Low55.3Low56 Ų56124.5 Ų124.558%0.57770%0.695SS**THydrogen-bonded Turntrans-829-175.700000115.8Q405Q405-G409 WeakPolarHBondContact O-CA 3.38Å; Q405-G409 PolarHBondContact O-N 3.41Å
410S48.1Very low52.8Low106 Ų106124.3 Ų124.374%0.74170%0.698SS**THydrogen-bonded Turntrans-97.713.7177.9-58.70000113.6K406 M408K406-S410 PolarHBondContact O-OG 3.31Å; K406-S410 VanDerWaalsContact O-OG 3.13Å; M408-S410 VanDerWaalsContact C-N 3.28Å; M408-S410 PolarHBondContact O-N 3.13Å
411Q45Very low50.4Low179 Ų179126.4 Ų126.484%0.83672%0.719SS**SBendtrans-114.3-2.6-177.6-105.21801.500116.3
412E42.6Very low48.6Very low179 Ų179132.9 Ų132.984%0.83673%0.732SS**SBendtrans-1090.9-171.7-75.4-166.2148.800117.3
413D43.5Very low46.9Very low170 Ų170135.4 Ų135.491%0.90977%0.766SS**SBendtrans-103.612.1-177-79.8-25.8000116
414D42.1Very low45.9Very low159 Ų159137.4 Ų137.485%0.8578%0.783SS**SBendtrans-128.421.9179.7-145.47.5000115.3
415V41.5Very low44.7Very low143 Ų143141.4 Ų141.487%0.86781%0.805SS**SBendtrans-136.472.8174.7-166.20000110.8
416G41.7Very low43.6Very low71 Ų71141 Ų14173%0.73281%0.811SS**SBendtrans-171.534.6-178.300000118.4
417S35.2Very low42.3Very low123 Ų123139.5 Ų139.586%0.8682%0.816SS**  trans-163.266.6161.1-86.40000112.8
418K37.2Very low41.1Very low192 Ų192143.9 Ų143.984%0.83584%0.837SS**  trans-140.3129.1155.8-79.3-167.3178.9172.60110.2
419T33Very low39.8Very low137 Ų137143.8 Ų143.884%0.8485%0.845SS**  trans76.9131.1164.270.90000115.4
420S32.9Very low38.8Very low103 Ų103150.1 Ų150.172%0.7286%0.864SS**  cis-161.7158.314.2-81.10000107.3
421S31.8Very low38.1Very low115 Ų115153.5 Ų153.580%0.80487%0.873SS**  -177.6138.879.9-56.70000111.8
422Y34.8Very low37.6Very low229 Ų229151.3 Ų151.390%0.89888%0.876SS**  trans-52.1137.4158.7-98.6-103.6000112.4
423S34.6Very low37.1Very low195 Ų195148.8 Ų148.8100%1.36488%0.88SS**  trans-158.70134.1-73.40000108.7

Retrieved 423 of 423 residues in 584.1 ms (Link to these results)

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