A0A077ZB65_TRITR Loading...

Programmed cell death protein 6

AlphaFold DB , UniProt , Accession A0A077ZB65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M35Very low69.4Low201 Ų201102.6 Ų102.699%0.9953%0.532SS*.  0132.90-88.8148.813300106.8S3M1-S3 PolarHBondContact O-N 3.21Å
2A44.7Very low70.1Confident96 Ų9697.2 Ų97.279%0.79350%0.503SS*.PPolyproline II helixtrans-54.213717000000108.4V4A2-V4 PolarHBondContact O-N 3.27Å
3S56.1Low70.8Confident103 Ų10390.2 Ų90.272%0.7247%0.467SS*.PPolyproline II helixtrans-54.6128.117249.90000107.7M1 D5M1-S3 PolarHBondContact O-N 3.21Å; S3-D5 PolarHBondContact O-N 3.4Å
4V63Low71.9Confident55 Ų5592.6 Ų92.633%0.33347%0.474SS..PPolyproline II helixtrans-64127175.9-171.40000106.6A2 R6 F8 L9A2-V4 PolarHBondContact O-N 3.27Å; V4-R6 PolarHBondContact O-N 3.33Å; V4-F8 HydrophobicContact CG1-CD1 3.82Å; V4-F8 HydrophobicContact CG1-CE1 4.43Å; V4-L9 HydrophobicContact CB-CD1 3.93Å; V4-L9 HydrophobicContact CB-CG 4.2Å; V4-L9 HydrophobicContact CG1-CD1 3.84Å; V4-L9 HydrophobicContact CG1-CD2 3.76Å; V4-L9 HydrophobicContact CG1-CG 3.53Å
5D78.5Confident72.4Confident95 Ų9591.8 Ų91.851%0.50848%0.481SS..PPolyproline II helixtrans-58.9122.4-179.3-1806000109.4S3 K7 F8 L9S3-D5 PolarHBondContact O-N 3.4Å; D5-K7 PolarHBondContact O-N 2.96Å; D5-K7 VanDerWaalsContact O-N 3.13Å; D5-K7 PolarHBondContact OD1-N 2.93Å; D5-F8 HydrophobicContact CB-CB 4.09Å; D5-F8 WeakPolarHBondContact O-CA 3.43Å; D5-F8 WeakPolarHBondContact O-CB 3.46Å; D5-F8 PolarHBondContact O-N 2.78Å; D5-L9 PolarHBondContact O-N 3.26Å
6R79.2Confident72.8Confident157 Ų15786.6 Ų86.659%0.59245%0.454SS*.Hα-helixtrans-54.1-33.9178.6-171.9177.8-174.3-115.11.6111.4V4 L9 M10 F109 E110V4-R6 PolarHBondContact O-N 3.33Å; R6-L9 PolarHBondContact O-N 2.85Å; R6-M10 WeakPolarHBondContact O-CB 3.34Å; R6-M10 PolarHBondContact O-N 3.26Å; R6-F109 HydrophobicContact CG-CE1 3.85Å; R6-F109 HydrophobicContact CG-CZ 3.89Å; R6-E110 IonicContact NH2-OE1 3.77Å
7K83.7Confident73.5Confident155 Ų15582.3 Ų82.367%0.67443%0.431SS*.Hα-helixtrans-66.9-41.6176.2-68.5-178.1179.4177.70112D5 M10 Q11D5-K7 PolarHBondContact O-N 2.96Å; D5-K7 VanDerWaalsContact O-N 3.13Å; D5-K7 PolarHBondContact OD1-N 2.93Å; K7-M10 PolarHBondContact O-N 2.76Å; K7-Q11 WeakPolarHBondContact O-CG 3.37Å; K7-Q11 PolarHBondContact O-N 3.35Å
8F82.5Confident74Confident88 Ų8887.4 Ų87.439%0.38644%0.444SS..Hα-helixtrans-62.8-46.9175.2173.3-102.5000110.7V4 D5 M10 Q11 I12 W116V4-F8 HydrophobicContact CG1-CD1 3.82Å; V4-F8 HydrophobicContact CG1-CE1 4.43Å; D5-F8 HydrophobicContact CB-CB 4.09Å; D5-F8 WeakPolarHBondContact O-CA 3.43Å; D5-F8 WeakPolarHBondContact O-CB 3.46Å; D5-F8 PolarHBondContact O-N 2.78Å; F8-M10 VanDerWaalsContact C-N 3.29Å; F8-M10 PolarHBondContact O-N 3.39Å; F8-Q11 WeakPolarHBondContact O-CB 3.38Å; F8-Q11 PolarHBondContact O-N 2.98Å; F8-Q11 VanDerWaalsContact O-N 3.13Å; F8-I12 HydrophobicContact CD1-CG1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 4.47Å; F8-I12 HydrophobicContact CE1-CG1 4.01Å; F8-I12 HydrophobicContact CE2-CD1 4.02Å; F8-I12 HydrophobicContact CE2-CG1 4.28Å; F8-I12 HydrophobicContact CZ-CD1 3.87Å; F8-I12 HydrophobicContact CZ-CG1 3.92Å; F8-I12 WeakPolarHBondContact O-CG1 3.12Å; F8-I12 PolarHBondContact O-N 3.23Å; F8-W116 AromaticContact CE1-CZ2 3.93Å; F8-W116 HydrophobicContact CE1-CZ2 3.93Å; F8-W116 HydrophobicContact CZ-CZ2 4.39Å
9L74.7Confident74.7Confident0 Ų088.5 Ų88.50%045%0.451CS..Hα-helixtrans-61.9-37.3176.3-72.4176.8000112.8V4 D5 R6 Q11 I12 F13 F109 Y113 W116V4-L9 HydrophobicContact CB-CD1 3.93Å; V4-L9 HydrophobicContact CB-CG 4.2Å; V4-L9 HydrophobicContact CG1-CD1 3.84Å; V4-L9 HydrophobicContact CG1-CD2 3.76Å; V4-L9 HydrophobicContact CG1-CG 3.53Å; D5-L9 PolarHBondContact O-N 3.26Å; R6-L9 PolarHBondContact O-N 2.85Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-I12 PolarHBondContact O-N 2.81Å; L9-F13 WeakPolarHBondContact O-CB 3.27Å; L9-F13 PolarHBondContact O-N 2.85Å; L9-F109 HydrophobicContact CB-CE2 4.11Å; L9-F109 HydrophobicContact CB-CZ 4.06Å; L9-Y113 HydrophobicContact CD1-CD2 3.19Å; L9-Y113 HydrophobicContact CD1-CE2 3.58Å; L9-Y113 HydrophobicContact CD1-CG 4.27Å; L9-W116 HydrophobicContact CD2-CB 4.05Å; L9-W116 HydrophobicContact CD2-CD2 3.87Å; L9-W116 HydrophobicContact CD2-CG 3.47Å; L9-W116 VanDerWaalsContact CD2-CG 3.47Å
10M82.1Confident75.4Confident53 Ų5386.9 Ų86.926%0.26146%0.458SS..Hα-helixtrans-63.9-39.3175.2-171.662.968.300111.6R6 K7 F8 F13 Q14 F109R6-M10 WeakPolarHBondContact O-CB 3.34Å; R6-M10 PolarHBondContact O-N 3.26Å; K7-M10 PolarHBondContact O-N 2.76Å; F8-M10 VanDerWaalsContact C-N 3.29Å; F8-M10 PolarHBondContact O-N 3.39Å; M10-F13 PolarHBondContact O-N 2.81Å; M10-Q14 WeakPolarHBondContact O-CB 3.21Å; M10-Q14 VanDerWaalsContact O-CG 3.22Å; M10-Q14 WeakPolarHBondContact O-CG 3.46Å; M10-Q14 PolarHBondContact O-N 3.46Å; M10-Q14 HydrophobicContact SD-CG 4.5Å; M10-F109 VanDerWaalsContact CA-CE2 3.47Å; M10-F109 HydrophobicContact CB-CE2 3.94Å; M10-F109 HydrophobicContact CB-CZ 4.23Å; M10-F109 HydrophobicContact CE-CB 4.43Å; M10-F109 HydrophobicContact CE-CD1 3.69Å; M10-F109 HydrophobicContact CE-CD2 3.47Å; M10-F109 VanDerWaalsContact CE-CD2 3.47Å; M10-F109 HydrophobicContact CE-CE1 3.72Å; M10-F109 HydrophobicContact CE-CE2 3.54Å; M10-F109 HydrophobicContact CE-CG 3.55Å; M10-F109 HydrophobicContact CE-CZ 3.65Å; M10-F109 HydrophobicContact SD-CD2 3.72Å; M10-F109 HydrophobicContact SD-CE2 3.87Å; M10-F109 HydrophobicContact SD-CG 4.29Å
11Q83.4Confident75.9Confident126 Ų12686.7 Ų86.759%0.58946%0.457SS*.Hα-helixtrans-63.8-41.6174.5-72.3172.8-1400111.9K7 F8 L9 S15K7-Q11 WeakPolarHBondContact O-CG 3.37Å; K7-Q11 PolarHBondContact O-N 3.35Å; F8-Q11 WeakPolarHBondContact O-CB 3.38Å; F8-Q11 PolarHBondContact O-N 2.98Å; F8-Q11 VanDerWaalsContact O-N 3.13Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; Q11-S15 WeakPolarHBondContact O-CB 3.26Å; Q11-S15 PolarHBondContact O-N 3.17Å; Q11-S15 VanDerWaalsContact O-N 3.07Å
12I78.8Confident78.3Confident37 Ų3778.8 Ų78.819%0.1943%0.427CS..Hα-helixtrans-65-49.5174.8-56.3-55.2000110F8 L9 Q14 S15 V16 F112 W116F8-I12 HydrophobicContact CD1-CG1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 4.47Å; F8-I12 HydrophobicContact CE1-CG1 4.01Å; F8-I12 HydrophobicContact CE2-CD1 4.02Å; F8-I12 HydrophobicContact CE2-CG1 4.28Å; F8-I12 HydrophobicContact CZ-CD1 3.87Å; F8-I12 HydrophobicContact CZ-CG1 3.92Å; F8-I12 WeakPolarHBondContact O-CG1 3.12Å; F8-I12 PolarHBondContact O-N 3.23Å; L9-I12 PolarHBondContact O-N 2.81Å; I12-Q14 VanDerWaalsContact C-N 3.3Å; I12-Q14 PolarHBondContact O-N 2.95Å; I12-S15 WeakPolarHBondContact O-CA 3.39Å; I12-S15 WeakPolarHBondContact O-CB 3.38Å; I12-S15 PolarHBondContact O-N 3.13Å; I12-S15 PolarHBondContact O-OG 2.76Å; I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-V16 WeakPolarHBondContact O-CG2 3.5Å; I12-V16 PolarHBondContact O-N 3.41Å; I12-F112 HydrophobicContact CB-CE1 4.13Å; I12-F112 HydrophobicContact CB-CZ 4.28Å; I12-F112 HydrophobicContact CG2-CE1 3.96Å; I12-F112 HydrophobicContact CG2-CZ 3.61Å; I12-W116 HydrophobicContact CB-CZ3 4.43Å; I12-W116 HydrophobicContact CG1-CH2 4.16Å; I12-W116 HydrophobicContact CG1-CZ3 4.32Å; I12-W116 HydrophobicContact CG2-CE3 3.97Å; I12-W116 HydrophobicContact CG2-CH2 4.19Å; I12-W116 HydrophobicContact CG2-CZ3 3.55Å
13F79Confident80.1Confident7 Ų777.8 Ų77.83%0.03141%0.406CS..Hα-helixtrans-50.7-52.1178.4-177.5-87.4000111L9 M10 S15 V16 D17 G22 I24 F109 F112L9-F13 WeakPolarHBondContact O-CB 3.27Å; L9-F13 PolarHBondContact O-N 2.85Å; M10-F13 PolarHBondContact O-N 2.81Å; F13-S15 PolarHBondContact O-N 3.24Å; F13-V16 PolarHBondContact O-N 3.25Å; F13-D17 HydrophobicContact CD1-CB 4.28Å; F13-D17 HydrophobicContact CE1-CB 3.99Å; F13-D17 WeakPolarHBondContact O-CB 3.44Å; F13-D17 PolarHBondContact O-N 3.27Å; F13-G22 WeakPolarHBondContact CZ-O 3.39Å; F13-I24 HydrophobicContact CD2-CD1 3.39Å; F13-I24 HydrophobicContact CD2-CG1 4.18Å; F13-I24 HydrophobicContact CE2-CD1 3.38Å; F13-I24 HydrophobicContact CE2-CG1 3.72Å; F13-I24 HydrophobicContact CG-CD1 4.13Å; F13-I24 HydrophobicContact CZ-CD1 4.09Å; F13-I24 HydrophobicContact CZ-CG1 3.96Å; F13-F109 HydrophobicContact CB-CD2 3.85Å; F13-F109 HydrophobicContact CB-CE2 4.15Å; F13-F109 HydrophobicContact CD1-CD2 4.43Å; F13-F109 HydrophobicContact CD2-CB 4.41Å; F13-F109 AromaticContact CD2-CD2 4Å; F13-F109 HydrophobicContact CD2-CD2 4Å; F13-F109 HydrophobicContact CE2-CB 4.37Å; F13-F109 AromaticContact CG-CD2 3.82Å; F13-F109 HydrophobicContact CG-CD2 3.82Å; F13-F112 HydrophobicContact CB-CD1 4Å; F13-F112 HydrophobicContact CB-CE1 4.19Å; F13-F112 HydrophobicContact CB-CG 4.43Å; F13-F112 HydrophobicContact CD2-CB 3.5Å; F13-F112 VanDerWaalsContact CD2-CB 3.5Å; F13-F112 AromaticContact CD2-CD1 3.95Å; F13-F112 HydrophobicContact CD2-CD1 3.95Å; F13-F112 AromaticContact CD2-CD2 4Å; F13-F112 HydrophobicContact CD2-CD2 4Å; F13-F112 AromaticContact CD2-CG 3.55Å; F13-F112 HydrophobicContact CD2-CG 3.55Å; F13-F112 HydrophobicContact CE2-CB 3.91Å; F13-F112 HydrophobicContact CE2-CG 4.33Å; F13-F112 HydrophobicContact CG-CG 4.49Å
14Q86.2Confident81Confident123 Ų12372.9 Ų72.958%0.57537%0.372SS*.Hα-helixtrans-64.1-24.4178-71173.2-14.100113.8M10 I12 V16M10-Q14 WeakPolarHBondContact O-CB 3.21Å; M10-Q14 VanDerWaalsContact O-CG 3.22Å; M10-Q14 WeakPolarHBondContact O-CG 3.46Å; M10-Q14 PolarHBondContact O-N 3.46Å; M10-Q14 HydrophobicContact SD-CG 4.5Å; I12-Q14 VanDerWaalsContact C-N 3.3Å; I12-Q14 PolarHBondContact O-N 2.95Å; Q14-V16 VanDerWaalsContact C-N 3.34Å
15S79.5Confident81.6Confident81 Ų8172.1 Ų72.157%0.56637%0.369SS*.Hα-helixtrans-78.1-22.6173.577.70000112.9Q11 I12 F13Q11-S15 WeakPolarHBondContact O-CB 3.26Å; Q11-S15 PolarHBondContact O-N 3.17Å; Q11-S15 VanDerWaalsContact O-N 3.07Å; I12-S15 WeakPolarHBondContact O-CA 3.39Å; I12-S15 WeakPolarHBondContact O-CB 3.38Å; I12-S15 PolarHBondContact O-N 3.13Å; I12-S15 PolarHBondContact O-OG 2.76Å; F13-S15 PolarHBondContact O-N 3.24Å
16V78.2Confident81.2Confident8 Ų870.1 Ų70.15%0.04837%0.365CS..Hα-helixtrans-90.9-41.9178.6178.50000111.2I12 F13 Q14 R18 I24 E28 A32 F112I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-V16 WeakPolarHBondContact O-CG2 3.5Å; I12-V16 PolarHBondContact O-N 3.41Å; F13-V16 PolarHBondContact O-N 3.25Å; Q14-V16 VanDerWaalsContact C-N 3.34Å; V16-R18 WeakPolarHBondContact O-CG 3.36Å; V16-R18 PolarHBondContact O-N 3.35Å; V16-I24 HydrophobicContact CB-CD1 3.84Å; V16-I24 HydrophobicContact CB-CG1 4.31Å; V16-I24 HydrophobicContact CG1-CB 4.42Å; V16-I24 HydrophobicContact CG1-CD1 3.68Å; V16-I24 HydrophobicContact CG1-CG1 3.91Å; V16-I24 HydrophobicContact CG1-CG2 3.64Å; V16-E28 HydrophobicContact CG1-CB 4.35Å; V16-E28 WeakPolarHBondContact O-CB 3.23Å; V16-A32 HydrophobicContact CB-CB 4.03Å; V16-A32 HydrophobicContact CG1-CB 3.55Å; V16-A32 HydrophobicContact CG2-CB 3.44Å; V16-A32 VanDerWaalsContact CG2-CB 3.44Å; V16-F112 HydrophobicContact CG2-CE2 4.43Å; V16-F112 HydrophobicContact CG2-CZ 4.47Å
17D84.3Confident80.8Confident14 Ų1467.5 Ų67.58%0.07537%0.367CS..  trans-68.587.1172.4178.210.7000109.6F13 D19 G20 N21 G22 I24F13-D17 HydrophobicContact CD1-CB 4.28Å; F13-D17 HydrophobicContact CE1-CB 3.99Å; F13-D17 WeakPolarHBondContact O-CB 3.44Å; F13-D17 PolarHBondContact O-N 3.27Å; D17-D19 VanDerWaalsContact OD1-OD1 3.12Å; D17-G20 VanDerWaalsContact OD1-CA 3.24Å; D17-G20 WeakPolarHBondContact OD1-CA 3.37Å; D17-G20 PolarHBondContact OD1-N 2.98Å; D17-N21 PolarHBondContact OD1-N 3.18Å; D17-N21 VanDerWaalsContact OD1-N 3.11Å; D17-G22 VanDerWaalsContact OD2-CA 3.28Å; D17-G22 WeakPolarHBondContact OD2-CA 3.42Å; D17-G22 PolarHBondContact OD2-N 3.24Å; D17-I24 HydrophobicContact CB-CG1 4.19Å
18R83.8Confident80.4Confident174 Ų17460.8 Ų60.866%0.65734%0.338SS*.SBendtrans-79-31.1-169.7-73.7-176.3-177.61721.7111.9V16 E28V16-R18 WeakPolarHBondContact O-CG 3.36Å; V16-R18 PolarHBondContact O-N 3.35Å; R18-E28 HydrophobicContact CB-CG 4.37Å; R18-E28 PolarHBondContact N-OE1 3.23Å
19D86.8Confident80Confident108 Ų10856.9 Ų56.958%0.57832%0.321SS*.SBendtrans-87.4-13176.673.67.2000112.5D17 N21 E28D17-D19 VanDerWaalsContact OD1-OD1 3.12Å; D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 VanDerWaalsContact CG-ND2 3.25Å; D19-N21 WeakPolarHBondContact OD1-CB 3.37Å; D19-N21 PolarHBondContact OD1-N 2.83Å; D19-N21 PolarHBondContact OD1-ND2 3.38Å; D19-N21 PolarHBondContact OD1-OD1 3.41Å; D19-N21 PolarHBondContact OD2-ND2 3.35Å; D19-E28 PolarHBondContact N-OE1 3.19Å
20G87.9Confident79.5Confident57 Ų5759.1 Ų59.159%0.58833%0.332SS*.  trans74.422.8175.100000112.9D17 G22D17-G20 VanDerWaalsContact OD1-CA 3.24Å; D17-G20 WeakPolarHBondContact OD1-CA 3.37Å; D17-G20 PolarHBondContact OD1-N 2.98Å; G20-G22 VanDerWaalsContact C-N 3.27Å; G20-G22 PolarHBondContact O-N 3.18Å
21N86.9Confident78.7Confident82 Ų8257.4 Ų57.444%0.43933%0.328SS..SBendtrans-80.6-7-176.474.321.9000112.8D17 D19 Q23D17-N21 PolarHBondContact OD1-N 3.18Å; D17-N21 VanDerWaalsContact OD1-N 3.11Å; D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 VanDerWaalsContact CG-ND2 3.25Å; D19-N21 WeakPolarHBondContact OD1-CB 3.37Å; D19-N21 PolarHBondContact OD1-N 2.83Å; D19-N21 PolarHBondContact OD1-ND2 3.38Å; D19-N21 PolarHBondContact OD1-OD1 3.41Å; D19-N21 PolarHBondContact OD2-ND2 3.35Å; N21-Q23 VanDerWaalsContact OD1-CA 3.24Å; N21-Q23 WeakPolarHBondContact OD1-CA 3.49Å; N21-Q23 VanDerWaalsContact OD1-CB 3.22Å; N21-Q23 WeakPolarHBondContact OD1-CB 3.43Å; N21-Q23 PolarHBondContact OD1-N 3.41Å; N21-Q23 PolarHBondContact OD1-O 2.86Å
22G85.4Confident78Confident36 Ų3653.7 Ų53.737%0.37132%0.319SS..SBendtrans84.99.8-17800000114.7F13 D17 G20F13-G22 WeakPolarHBondContact CZ-O 3.39Å; D17-G22 VanDerWaalsContact OD2-CA 3.28Å; D17-G22 WeakPolarHBondContact OD2-CA 3.42Å; D17-G22 PolarHBondContact OD2-N 3.24Å; G20-G22 VanDerWaalsContact C-N 3.27Å; G20-G22 PolarHBondContact O-N 3.18Å
23Q82.7Confident77.2Confident74 Ų7453.2 Ų53.235%0.34632%0.316SS..  trans-139.1125.5-176.5-61.3-179.516.600110.1N21 S25 T106N21-Q23 VanDerWaalsContact OD1-CA 3.24Å; N21-Q23 WeakPolarHBondContact OD1-CA 3.49Å; N21-Q23 VanDerWaalsContact OD1-CB 3.22Å; N21-Q23 WeakPolarHBondContact OD1-CB 3.43Å; N21-Q23 PolarHBondContact OD1-N 3.41Å; N21-Q23 PolarHBondContact OD1-O 2.86Å; Q23-S25 PolarHBondContact O-N 3.48Å; Q23-T106 HydrophobicContact CB-CG2 4.23Å; Q23-T106 VanDerWaalsContact OE1-CG2 3.31Å; Q23-T106 PolarHBondContact OE1-OG1 2.91Å
24I74.7Confident76Confident1 Ų155.3 Ų55.31%0.00533%0.332CS..BIsolated β-bridgetrans-89.2113.1178-66.1167000109.2F13 V16 D17 E28 L29 V107 F112F13-I24 HydrophobicContact CD2-CD1 3.39Å; F13-I24 HydrophobicContact CD2-CG1 4.18Å; F13-I24 HydrophobicContact CE2-CD1 3.38Å; F13-I24 HydrophobicContact CE2-CG1 3.72Å; F13-I24 HydrophobicContact CG-CD1 4.13Å; F13-I24 HydrophobicContact CZ-CD1 4.09Å; F13-I24 HydrophobicContact CZ-CG1 3.96Å; V16-I24 HydrophobicContact CB-CD1 3.84Å; V16-I24 HydrophobicContact CB-CG1 4.31Å; V16-I24 HydrophobicContact CG1-CB 4.42Å; V16-I24 HydrophobicContact CG1-CD1 3.68Å; V16-I24 HydrophobicContact CG1-CG1 3.91Å; V16-I24 HydrophobicContact CG1-CG2 3.64Å; D17-I24 HydrophobicContact CB-CG1 4.19Å; I24-E28 HydrophobicContact CG2-CB 3.97Å; I24-L29 HydrophobicContact CG2-CB 3.84Å; I24-V107 HydrophobicContact CB-CB 4.16Å; I24-V107 PolarHBondContact N-O 2.73Å; I24-V107 PolarHBondContact O-N 3.3Å; I24-F112 HydrophobicContact CD1-CD2 3.38Å; I24-F112 HydrophobicContact CD1-CE2 3.68Å; I24-F112 HydrophobicContact CD1-CG 4.18Å
25S74.8Confident74.2Confident38 Ų3852.5 Ų52.527%0.26632%0.321SS..  trans-72.4161.9171.565.90000112.3Q23 T27 E28 L29Q23-S25 PolarHBondContact O-N 3.48Å; S25-T27 PolarHBondContact O-N 2.92Å; S25-E28 WeakPolarHBondContact CB-OE2 3.22Å; S25-E28 PolarHBondContact N-OE2 2.8Å; S25-E28 PolarHBondContact O-N 3.47Å; S25-E28 VanDerWaalsContact O-N 3.09Å; S25-E28 WeakPolarHBondContact OG-CG 3.16Å; S25-E28 PolarHBondContact OG-N 3.42Å; S25-E28 PolarHBondContact OG-OE2 2.89Å; S25-L29 PolarHBondContact O-N 3.06Å
26A70.9Confident72.1Confident53 Ų5352.2 Ų52.244%0.43833%0.331SS..Hα-helixtrans-55.2-34.5173.700000112.9Q30A26-Q30 VanDerWaalsContact O-CB 3.24Å; A26-Q30 WeakPolarHBondContact O-CB 3.45Å; A26-Q30 PolarHBondContact O-N 3.11Å
27T71.3Confident70.6Confident103 Ų10353.4 Ų53.463%0.63234%0.34SS*.Hα-helixtrans-67.8-42177.2-55.10000111.8S25 G31S25-T27 PolarHBondContact O-N 2.92Å; T27-G31 PolarHBondContact O-N 3.36Å
28E74.8Confident68.6Low13 Ų1365.4 Ų65.46%0.06138%0.384CS..Hα-helixtrans-67.6-44.4177-76.2166.8131.400111.4V16 R18 D19 I24 S25 Q30 G31 A32V16-E28 HydrophobicContact CG1-CB 4.35Å; V16-E28 WeakPolarHBondContact O-CB 3.23Å; R18-E28 HydrophobicContact CB-CG 4.37Å; R18-E28 PolarHBondContact N-OE1 3.23Å; D19-E28 PolarHBondContact N-OE1 3.19Å; I24-E28 HydrophobicContact CG2-CB 3.97Å; S25-E28 WeakPolarHBondContact CB-OE2 3.22Å; S25-E28 PolarHBondContact N-OE2 2.8Å; S25-E28 PolarHBondContact O-N 3.47Å; S25-E28 VanDerWaalsContact O-N 3.09Å; S25-E28 WeakPolarHBondContact OG-CG 3.16Å; S25-E28 PolarHBondContact OG-N 3.42Å; S25-E28 PolarHBondContact OG-OE2 2.89Å; E28-Q30 PolarHBondContact O-N 3.36Å; E28-G31 PolarHBondContact O-N 3.16Å; E28-A32 WeakPolarHBondContact O-CB 3.41Å; E28-A32 PolarHBondContact O-N 3.49Å
29L73Confident67.4Low6 Ų660.4 Ų60.43%0.03137%0.373CS..Hα-helixtrans-61.4-44.6175.8-174.956.6000111.6I24 S25 G31 A32 L33 V46 L115I24-L29 HydrophobicContact CG2-CB 3.84Å; S25-L29 PolarHBondContact O-N 3.06Å; L29-G31 VanDerWaalsContact C-N 3.29Å; L29-G31 PolarHBondContact O-N 2.91Å; L29-A32 PolarHBondContact O-N 3.13Å; L29-L33 HydrophobicContact CD1-CD1 3.75Å; L29-L33 HydrophobicContact CD1-CG 3.97Å; L29-L33 HydrophobicContact CG-CD1 3.81Å; L29-L33 HydrophobicContact CG-CG 4.39Å; L29-L33 WeakPolarHBondContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.12Å; L29-L33 PolarHBondContact O-N 2.92Å; L29-V46 HydrophobicContact CD2-CG1 3.83Å; L29-V46 HydrophobicContact CG-CG1 4.28Å; L29-L115 HydrophobicContact CD1-CD2 3.76Å; L29-L115 HydrophobicContact CD2-CD2 3.75Å; L29-L115 HydrophobicContact CG-CD2 4.43Å
30Q65.7Low66.1Low47 Ų4758.8 Ų58.822%0.2237%0.368CS..Hα-helixtrans-59.2-42.1174.9-177.7-177.462.500111.7A26 E28 S34 P40 F41 V46A26-Q30 VanDerWaalsContact O-CB 3.24Å; A26-Q30 WeakPolarHBondContact O-CB 3.45Å; A26-Q30 PolarHBondContact O-N 3.11Å; E28-Q30 PolarHBondContact O-N 3.36Å; Q30-S34 PolarHBondContact O-N 3.17Å; Q30-P40 HydrophobicContact CG-CB 4.04Å; Q30-F41 HydrophobicContact CG-CB 4.11Å; Q30-F41 WeakPolarHBondContact CG-O 3.48Å; Q30-F41 PolarHBondContact NE2-O 3.33Å; Q30-V46 HydrophobicContact CB-CG2 4.41Å
31G65.1Low64.9Low18 Ų1856.2 Ų56.219%0.18634%0.341CS..Hα-helixtrans-63.5-41.9176.700000112.5T27 E28 L29 S34T27-G31 PolarHBondContact O-N 3.36Å; E28-G31 PolarHBondContact O-N 3.16Å; L29-G31 VanDerWaalsContact C-N 3.29Å; L29-G31 PolarHBondContact O-N 2.91Å; G31-S34 PolarHBondContact O-OG 3.29Å
32A67.4Low63.9Low47 Ų4753.5 Ų53.539%0.38833%0.326SS..Hα-helixtrans-72.5-34.2179.900000113.7V16 E28 L29 S34V16-A32 HydrophobicContact CB-CB 4.03Å; V16-A32 HydrophobicContact CG1-CB 3.55Å; V16-A32 HydrophobicContact CG2-CB 3.44Å; V16-A32 VanDerWaalsContact CG2-CB 3.44Å; E28-A32 WeakPolarHBondContact O-CB 3.41Å; E28-A32 PolarHBondContact O-N 3.49Å; L29-A32 PolarHBondContact O-N 3.13Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3Å
33L62.4Low63.1Low27 Ų2754.7 Ų54.714%0.14133%0.332CS..THydrogen-bonded Turntrans-81.7-4.5177.9-64.9173.5000113.6L29 N35 F41 I119L29-L33 HydrophobicContact CD1-CD1 3.75Å; L29-L33 HydrophobicContact CD1-CG 3.97Å; L29-L33 HydrophobicContact CG-CD1 3.81Å; L29-L33 HydrophobicContact CG-CG 4.39Å; L29-L33 WeakPolarHBondContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.12Å; L29-L33 PolarHBondContact O-N 2.92Å; L33-N35 PolarHBondContact O-N 3.37Å; L33-F41 HydrophobicContact CB-CB 4.12Å; L33-F41 HydrophobicContact CB-CD2 3.44Å; L33-F41 VanDerWaalsContact CB-CD2 3.44Å; L33-F41 HydrophobicContact CB-CE2 3.85Å; L33-F41 HydrophobicContact CB-CG 3.82Å; L33-F41 HydrophobicContact CD1-CD2 4.47Å; L33-F41 HydrophobicContact CD1-CE1 4.33Å; L33-F41 HydrophobicContact CD1-CE2 4.27Å; L33-F41 HydrophobicContact CD1-CZ 4.22Å; L33-F41 WeakPolarHBondContact O-CD2 3.49Å; L33-I119 HydrophobicContact CD1-CD1 4.28Å; L33-I119 HydrophobicContact CD2-CD1 3.55Å; L33-I119 HydrophobicContact CD2-CG1 4.15Å; L33-I119 HydrophobicContact CD2-CG2 3.98Å; L33-I119 HydrophobicContact CG-CD1 4.45Å
34S54.2Low62.3Low51 Ų5153.3 Ų53.336%0.35733%0.326SS..  trans-61.7120.9178.869.10000111.1Q30 G31 A32 G36Q30-S34 PolarHBondContact O-N 3.17Å; G31-S34 PolarHBondContact O-OG 3.29Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3Å; S34-G36 PolarHBondContact O-N 2.97Å
35N47.5Very low61.8Low64 Ų6453.3 Ų53.334%0.34233%0.326SS..  trans-80.738.2-167.163.88.5000114.4L33 S37L33-N35 PolarHBondContact O-N 3.37Å; N35-S37 PolarHBondContact O-N 3.38Å; N35-S37 PolarHBondContact OD1-N 2.87Å; N35-S37 PolarHBondContact OD1-OG 3.34Å
36G36.2Very low61.3Low76 Ų7651.7 Ų51.778%0.78432%0.315SS*.SBendtrans69.2-4.4-179.400000114.7S34S34-G36 PolarHBondContact O-N 2.97Å
37S47.7Very low61Low33 Ų3353.5 Ų53.523%0.23131%0.31CS..SBendtrans-85.5137.915872.60000108.2N35 V39 K203N35-S37 PolarHBondContact O-N 3.38Å; N35-S37 PolarHBondContact OD1-N 2.87Å; N35-S37 PolarHBondContact OD1-OG 3.34Å; S37-V39 PolarHBondContact O-N 2.86Å; S37-K203 PolarHBondContact OG-NZ 2.9Å; S37-K203 VanDerWaalsContact OG-NZ 3.1Å
38W42.3Very low60.5Low265 Ų26549 Ų49100%1.00428%0.282SS*.SBendtrans-62.415.8179.1-64.492.4000114.3
39V58.3Low59.7Low70 Ų7048.9 Ų48.942%0.42428%0.282SS..SBendtrans-97.9122.8178.3-176.20000108S37S37-V39 PolarHBondContact O-N 2.86Å
40P58.8Low58.9Low74 Ų7451 Ų5148%0.48129%0.292SS..PPolyproline II helixtrans-56139.8174.2-23.532.7000111.5Q30 N42Q30-P40 HydrophobicContact CG-CB 4.04Å; P40-N42 PolarHBondContact O-N 3.34Å
41F63.1Low58.2Low3 Ų351.1 Ų51.11%0.01330%0.298CS..PPolyproline II helixtrans-52.6140.6171.6-168.1-81.9000109.2Q30 L33 A43 T45 V46 L49 F204 D205 I208Q30-F41 HydrophobicContact CG-CB 4.11Å; Q30-F41 WeakPolarHBondContact CG-O 3.48Å; Q30-F41 PolarHBondContact NE2-O 3.33Å; L33-F41 HydrophobicContact CB-CB 4.12Å; L33-F41 HydrophobicContact CB-CD2 3.44Å; L33-F41 VanDerWaalsContact CB-CD2 3.44Å; L33-F41 HydrophobicContact CB-CE2 3.85Å; L33-F41 HydrophobicContact CB-CG 3.82Å; L33-F41 HydrophobicContact CD1-CD2 4.47Å; L33-F41 HydrophobicContact CD1-CE1 4.33Å; L33-F41 HydrophobicContact CD1-CE2 4.27Å; L33-F41 HydrophobicContact CD1-CZ 4.22Å; L33-F41 WeakPolarHBondContact O-CD2 3.49Å; F41-A43 PolarHBondContact O-N 3.41Å; F41-T45 HydrophobicContact CE1-CG2 3.58Å; F41-T45 HydrophobicContact CZ-CG2 3.99Å; F41-V46 HydrophobicContact CD1-CG2 3.48Å; F41-V46 VanDerWaalsContact CD1-CG2 3.48Å; F41-V46 HydrophobicContact CE1-CG2 3.93Å; F41-V46 HydrophobicContact CG-CG2 4.45Å; F41-L49 HydrophobicContact CE1-CD1 4.48Å; F41-L49 HydrophobicContact CZ-CD1 4.39Å; F41-F204 HydrophobicContact CE2-CD1 4.08Å; F41-F204 HydrophobicContact CE2-CE1 4.26Å; F41-D205 WeakPolarHBondContact CA-OD2 3.34Å; F41-D205 HydrophobicContact CD1-CB 3.95Å; F41-D205 HydrophobicContact CD2-CB 3.25Å; F41-D205 HydrophobicContact CE1-CB 3.84Å; F41-D205 HydrophobicContact CE2-CB 3.13Å; F41-D205 HydrophobicContact CG-CB 3.7Å; F41-D205 HydrophobicContact CZ-CB 3.44Å; F41-D205 VanDerWaalsContact CZ-CB 3.44Å; F41-I208 HydrophobicContact CZ-CD1 4.33Å
42N66Low57.6Low25 Ų2552.6 Ų52.613%0.13430%0.3CS..  trans-53.7113-176.9-171.2-28.1000111P40 E44 T45 V46 D205 H209P40-N42 PolarHBondContact O-N 3.34Å; N42-E44 PolarHBondContact O-N 2.69Å; N42-E44 VanDerWaalsContact OD1-CB 3.26Å; N42-E44 WeakPolarHBondContact OD1-CB 3.48Å; N42-E44 PolarHBondContact OD1-N 3.4Å; N42-T45 WeakPolarHBondContact CB-OG1 3.49Å; N42-T45 WeakPolarHBondContact O-CA 3.31Å; N42-T45 WeakPolarHBondContact O-CB 3.35Å; N42-T45 PolarHBondContact O-N 2.92Å; N42-V46 PolarHBondContact O-N 3.23Å; N42-D205 PolarHBondContact N-OD2 3.07Å; N42-H209 PolarHBondContact ND2-ND1 2.66Å
43A68.9Low56.7Low60 Ų6052.1 Ų52.150%0.49629%0.289SS..Hα-helixtrans-58.1-34.1-176.900000111.6F41 V46 R47F41-A43 PolarHBondContact O-N 3.41Å; A43-V46 WeakPolarHBondContact O-CB 3.4Å; A43-V46 PolarHBondContact O-N 3.19Å; A43-R47 PolarHBondContact O-N 2.75Å
44E65.6Low55.5Low46 Ų4654 Ų5422%0.21530%0.299CS..Hα-helixtrans-68.1-41.9178.1-16238.7-117.900110.7N42 V46 R47 I48 L248N42-E44 PolarHBondContact O-N 2.69Å; N42-E44 VanDerWaalsContact OD1-CB 3.26Å; N42-E44 WeakPolarHBondContact OD1-CB 3.48Å; N42-E44 PolarHBondContact OD1-N 3.4Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 3.05Å; E44-R47 PolarHBondContact O-N 3.04Å; E44-R47 IonicContact OE1-CZ 2.61Å; E44-R47 VanDerWaalsContact OE1-CZ 3.3Å; E44-R47 IonicContact OE1-NE 3.36Å; E44-R47 PolarHBondContact OE1-NE 2.74Å; E44-R47 IonicContact OE1-NH2 2.73Å; E44-R47 PolarHBondContact OE1-NH2 2.72Å; E44-R47 IonicContact OE2-NE 3.3Å; E44-R47 PolarHBondContact OE2-NE 2.86Å; E44-I48 HydrophobicContact CG-CD1 3.99Å; E44-I48 WeakPolarHBondContact O-CB 3.27Å; E44-I48 VanDerWaalsContact O-CD1 3.26Å; E44-I48 WeakPolarHBondContact O-CD1 3.4Å; E44-I48 WeakPolarHBondContact O-CG1 3.19Å; E44-I48 PolarHBondContact O-N 2.79Å; E44-I48 WeakPolarHBondContact OE1-CG1 3.33Å; E44-L248 HydrophobicContact CG-CB 4.1Å; E44-L248 VanDerWaalsContact OE1-CA 3.27Å; E44-L248 WeakPolarHBondContact OE1-CA 3.41Å; E44-L248 VanDerWaalsContact OE2-OXT 3.13Å
45T64.4Low54.9Low1 Ų157.8 Ų57.81%0.00631%0.306CS..Hα-helixtrans-59-45.3171.3-52.30000111F41 N42 R47 I48 L49 D205 I208 H209F41-T45 HydrophobicContact CE1-CG2 3.58Å; F41-T45 HydrophobicContact CZ-CG2 3.99Å; N42-T45 WeakPolarHBondContact CB-OG1 3.49Å; N42-T45 WeakPolarHBondContact O-CA 3.31Å; N42-T45 WeakPolarHBondContact O-CB 3.35Å; N42-T45 PolarHBondContact O-N 2.92Å; T45-R47 VanDerWaalsContact C-N 3.34Å; T45-R47 PolarHBondContact O-N 3.2Å; T45-I48 PolarHBondContact O-N 3.31Å; T45-L49 HydrophobicContact CG2-CD1 4.18Å; T45-L49 HydrophobicContact CG2-CG 4.07Å; T45-L49 VanDerWaalsContact O-CB 3.32Å; T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 WeakPolarHBondContact O-CG 3.29Å; T45-L49 PolarHBondContact O-N 3.01Å; T45-D205 PolarHBondContact OG1-O 2.84Å; T45-I208 HydrophobicContact CG2-CB 4.04Å; T45-I208 HydrophobicContact CG2-CG2 3.6Å; T45-H209 HydrophobicContact CG2-CB 4.5Å; T45-H209 VanDerWaalsContact OG1-CB 3.28Å; T45-H209 WeakPolarHBondContact OG1-CB 3.35Å; T45-H209 PolarHBondContact OG1-ND1 3.06Å
46V64.9Low54.6Low4 Ų458.1 Ų58.12%0.02431%0.308CS..Hα-helixtrans-56.7-49.6176.4-178.20000110.8L29 Q30 F41 N42 A43 E44 I48 L49 I50L29-V46 HydrophobicContact CD2-CG1 3.83Å; L29-V46 HydrophobicContact CG-CG1 4.28Å; Q30-V46 HydrophobicContact CB-CG2 4.41Å; F41-V46 HydrophobicContact CD1-CG2 3.48Å; F41-V46 VanDerWaalsContact CD1-CG2 3.48Å; F41-V46 HydrophobicContact CE1-CG2 3.93Å; F41-V46 HydrophobicContact CG-CG2 4.45Å; N42-V46 PolarHBondContact O-N 3.23Å; A43-V46 WeakPolarHBondContact O-CB 3.4Å; A43-V46 PolarHBondContact O-N 3.19Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 3.05Å; V46-I48 VanDerWaalsContact C-N 3.34Å; V46-I48 PolarHBondContact O-N 3.14Å; V46-L49 PolarHBondContact O-N 2.66Å; V46-I50 HydrophobicContact CG1-CD1 3.87Å; V46-I50 VanDerWaalsContact O-CG1 3.28Å; V46-I50 WeakPolarHBondContact O-CG1 3.39Å; V46-I50 PolarHBondContact O-N 3.45Å
47R64.2Low54.5Low91 Ų9159.4 Ų59.434%0.34330%0.296SS..Hα-helixtrans-61-42.3-179.4-162.4-170.569.467.67.4112A43 E44 T45 I50 S51 N247 L248A43-R47 PolarHBondContact O-N 2.75Å; E44-R47 PolarHBondContact O-N 3.04Å; E44-R47 IonicContact OE1-CZ 2.61Å; E44-R47 VanDerWaalsContact OE1-CZ 3.3Å; E44-R47 IonicContact OE1-NE 3.36Å; E44-R47 PolarHBondContact OE1-NE 2.74Å; E44-R47 IonicContact OE1-NH2 2.73Å; E44-R47 PolarHBondContact OE1-NH2 2.72Å; E44-R47 IonicContact OE2-NE 3.3Å; E44-R47 PolarHBondContact OE2-NE 2.86Å; T45-R47 VanDerWaalsContact C-N 3.34Å; T45-R47 PolarHBondContact O-N 3.2Å; R47-I50 PolarHBondContact O-N 3.42Å; R47-S51 VanDerWaalsContact O-CB 3.27Å; R47-S51 WeakPolarHBondContact O-CB 3.5Å; R47-S51 PolarHBondContact O-N 3.37Å; R47-N247 VanDerWaalsContact NH2-C 3.26Å; R47-N247 PolarHBondContact NH2-O 3.21Å; R47-L248 PolarHBondContact NE-OXT 2.92Å; R47-L248 PolarHBondContact NH2-OXT 2.84Å
48I60.3Low53.8Low9 Ų962 Ų625%0.04631%0.314CS..Hα-helixtrans-68.9-41.7177.6-66.1160.1000111.4E44 T45 V46 I50 S51 K52 V212 L248E44-I48 HydrophobicContact CG-CD1 3.99Å; E44-I48 WeakPolarHBondContact O-CB 3.27Å; E44-I48 VanDerWaalsContact O-CD1 3.26Å; E44-I48 WeakPolarHBondContact O-CD1 3.4Å; E44-I48 WeakPolarHBondContact O-CG1 3.19Å; E44-I48 PolarHBondContact O-N 2.79Å; E44-I48 WeakPolarHBondContact OE1-CG1 3.33Å; T45-I48 PolarHBondContact O-N 3.31Å; V46-I48 VanDerWaalsContact C-N 3.34Å; V46-I48 PolarHBondContact O-N 3.14Å; I48-I50 PolarHBondContact O-N 3.06Å; I48-S51 PolarHBondContact O-N 3.46Å; I48-K52 HydrophobicContact CG2-CD 3.68Å; I48-K52 HydrophobicContact CG2-CG 4.29Å; I48-K52 WeakPolarHBondContact O-CB 3.43Å; I48-K52 PolarHBondContact O-N 2.91Å; I48-V212 HydrophobicContact CG2-CB 4.33Å; I48-V212 HydrophobicContact CG2-CG1 3.31Å; I48-L248 HydrophobicContact CD1-CD2 3.2Å; I48-L248 HydrophobicContact CG1-CD2 4.1Å
49L58.4Low53.7Low9 Ų951.7 Ų51.75%0.04729%0.29CS..Hα-helixtrans-59.2-42.3177.1-74.6-171.8000110.4F41 T45 V46 F53 Y118 I208F41-L49 HydrophobicContact CE1-CD1 4.48Å; F41-L49 HydrophobicContact CZ-CD1 4.39Å; T45-L49 HydrophobicContact CG2-CD1 4.18Å; T45-L49 HydrophobicContact CG2-CG 4.07Å; T45-L49 VanDerWaalsContact O-CB 3.32Å; T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 WeakPolarHBondContact O-CG 3.29Å; T45-L49 PolarHBondContact O-N 3.01Å; V46-L49 PolarHBondContact O-N 2.66Å; L49-F53 WeakPolarHBondContact O-CB 3.2Å; L49-F53 PolarHBondContact O-N 3.49Å; L49-Y118 HydrophobicContact CD1-CE1 4.21Å; L49-Y118 HydrophobicContact CD2-CD1 4.48Å; L49-Y118 HydrophobicContact CD2-CE1 3.3Å; L49-Y118 WeakPolarHBondContact CD2-OH 3.35Å; L49-Y118 HydrophobicContact CG-CE1 4.2Å; L49-I208 HydrophobicContact CD1-CG2 4.24Å; L49-I208 HydrophobicContact CD2-CG2 3.64Å; L49-I208 HydrophobicContact CG-CG2 4.22Å
50I55.4Low52.7Low50 Ų5050.1 Ų50.126%0.25629%0.288SS..Hα-helixtrans-63.6-54.1172.3-64.1165.5000109.7V46 R47 I48 F53 L54V46-I50 HydrophobicContact CG1-CD1 3.87Å; V46-I50 VanDerWaalsContact O-CG1 3.28Å; V46-I50 WeakPolarHBondContact O-CG1 3.39Å; V46-I50 PolarHBondContact O-N 3.45Å; R47-I50 PolarHBondContact O-N 3.42Å; I48-I50 PolarHBondContact O-N 3.06Å; I50-F53 PolarHBondContact O-N 3.31Å; I50-L54 HydrophobicContact CG2-CD1 4.04Å; I50-L54 VanDerWaalsContact O-CG 3.23Å; I50-L54 WeakPolarHBondContact O-CG 3.45Å; I50-L54 PolarHBondContact O-N 2.93Å; I50-L54 VanDerWaalsContact O-N 3.15Å
51S51.7Low51.8Low50 Ų5052.7 Ų52.735%0.3529%0.292SS..Hα-helixtrans-65.5-43.6-172.5-179.70000115.5R47 I48 L54 Y55R47-S51 VanDerWaalsContact O-CB 3.27Å; R47-S51 WeakPolarHBondContact O-CB 3.5Å; R47-S51 PolarHBondContact O-N 3.37Å; I48-S51 PolarHBondContact O-N 3.46Å; S51-L54 WeakPolarHBondContact O-CB 3.27Å; S51-L54 PolarHBondContact O-N 3.12Å; S51-Y55 PolarHBondContact O-N 3.07Å; S51-Y55 VanDerWaalsContact O-N 3.14Å
52K51.9Low50.3Low49 Ų4957.3 Ų57.321%0.21333%0.33CS..Hα-helixtrans-73.8-31.9-179.2-89.4173162.9-83.60113I48 L54 Y55 L56 V212I48-K52 HydrophobicContact CG2-CD 3.68Å; I48-K52 HydrophobicContact CG2-CG 4.29Å; I48-K52 WeakPolarHBondContact O-CB 3.43Å; I48-K52 PolarHBondContact O-N 2.91Å; K52-L54 VanDerWaalsContact C-N 3.3Å; K52-Y55 PolarHBondContact O-N 3Å; K52-L56 WeakPolarHBondContact O-CG 3.46Å; K52-L56 PolarHBondContact O-N 2.61Å; K52-V212 HydrophobicContact CD-CG1 3.18Å
53F47.8Very low48.7Very low38 Ų3861.6 Ų61.617%0.16735%0.353CS..Hα-helixtrans-64.7-40.2173.5-164.8-85.7000110.4L49 I50 Y55 L56 L57 F99 A114 Y118L49-F53 WeakPolarHBondContact O-CB 3.2Å; L49-F53 PolarHBondContact O-N 3.49Å; I50-F53 PolarHBondContact O-N 3.31Å; F53-Y55 PolarHBondContact O-N 2.84Å; F53-L56 PolarHBondContact O-N 3.36Å; F53-L57 HydrophobicContact CD1-CD1 3.77Å; F53-L57 HydrophobicContact CD1-CG 4.26Å; F53-L57 HydrophobicContact CE1-CD1 3.16Å; F53-L57 HydrophobicContact CE1-CG 3.87Å; F53-L57 HydrophobicContact CZ-CD1 3.93Å; F53-L57 HydrophobicContact CZ-CG 4.38Å; F53-L57 WeakPolarHBondContact O-CG 3.43Å; F53-L57 PolarHBondContact O-N 2.99Å; F53-L57 VanDerWaalsContact O-N 3.14Å; F53-F99 HydrophobicContact CD1-CD1 4.42Å; F53-F99 AromaticContact CD1-CD2 3.35Å; F53-F99 HydrophobicContact CD1-CD2 3.35Å; F53-F99 AromaticContact CD1-CE2 3.65Å; F53-F99 HydrophobicContact CD1-CE2 3.65Å; F53-F99 AromaticContact CD1-CG 3.82Å; F53-F99 HydrophobicContact CD1-CG 3.82Å; F53-F99 HydrophobicContact CD1-CZ 4.18Å; F53-F99 AromaticContact CE1-CD2 3.1Å; F53-F99 HydrophobicContact CE1-CD2 3.1Å; F53-F99 HydrophobicContact CE1-CE1 4.38Å; F53-F99 AromaticContact CE1-CE2 2.94Å; F53-F99 HydrophobicContact CE1-CE2 2.94Å; F53-F99 AromaticContact CE1-CG 4Å; F53-F99 HydrophobicContact CE1-CG 4Å; F53-F99 AromaticContact CE1-CZ 3.6Å; F53-F99 HydrophobicContact CE1-CZ 3.6Å; F53-F99 HydrophobicContact CZ-CD2 4.26Å; F53-F99 AromaticContact CZ-CE2 3.72Å; F53-F99 HydrophobicContact CZ-CE2 3.72Å; F53-F99 HydrophobicContact CZ-CZ 4.1Å; F53-A114 HydrophobicContact CE1-CB 4.48Å; F53-A114 HydrophobicContact CZ-CB 4.01Å; F53-Y118 HydrophobicContact CD2-CD2 4.01Å; F53-Y118 HydrophobicContact CD2-CE2 4.43Å; F53-Y118 HydrophobicContact CD2-CG 4.35Å; F53-Y118 HydrophobicContact CE2-CD2 4.16Å; F53-Y118 HydrophobicContact CE2-CG 4.46Å
54L38.6Very low46.7Very low67 Ų6762.4 Ų62.435%0.35137%0.367SS..Hα-helixtrans-60.6-38.6170.9-66.4167.5000113.2I50 S51 K52 S58 F99I50-L54 HydrophobicContact CG2-CD1 4.04Å; I50-L54 VanDerWaalsContact O-CG 3.23Å; I50-L54 WeakPolarHBondContact O-CG 3.45Å; I50-L54 PolarHBondContact O-N 2.93Å; I50-L54 VanDerWaalsContact O-N 3.15Å; S51-L54 WeakPolarHBondContact O-CB 3.27Å; S51-L54 PolarHBondContact O-N 3.12Å; K52-L54 VanDerWaalsContact C-N 3.3Å; L54-S58 VanDerWaalsContact O-CB 3.27Å; L54-S58 WeakPolarHBondContact O-CB 3.44Å; L54-S58 PolarHBondContact O-N 3.23Å; L54-S58 PolarHBondContact O-OG 2.67Å; L54-F99 HydrophobicContact CD2-CB 3.72Å
55Y41Very low44.9Very low130 Ų13070.3 Ų70.351%0.5140%0.396SS..Hα-helixtrans-71.6-39.4178.7-173.4-95.3000113.2S51 K52 F53 L57 S58 G60S51-Y55 PolarHBondContact O-N 3.07Å; S51-Y55 VanDerWaalsContact O-N 3.14Å; K52-Y55 PolarHBondContact O-N 3Å; F53-Y55 PolarHBondContact O-N 2.84Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-S58 PolarHBondContact O-OG 3.21Å; Y55-G60 PolarHBondContact OH-O 3.38Å
56L40.3Very low43Very low71 Ų7173.6 Ų73.637%0.37243%0.43SS..Hα-helixtrans-70-30.8178.9-71.6170.1000112.1K52 F53K52-L56 WeakPolarHBondContact O-CG 3.46Å; K52-L56 PolarHBondContact O-N 2.61Å; F53-L56 PolarHBondContact O-N 3.36Å
57L34.2Very low41.2Very low103 Ų10379.5 Ų79.554%0.53947%0.466SS..Hα-helixtrans-86.1-29.9177.6-70-171.1000114.7F53 Y55 G59 F99F53-L57 HydrophobicContact CD1-CD1 3.77Å; F53-L57 HydrophobicContact CD1-CG 4.26Å; F53-L57 HydrophobicContact CE1-CD1 3.16Å; F53-L57 HydrophobicContact CE1-CG 3.87Å; F53-L57 HydrophobicContact CZ-CD1 3.93Å; F53-L57 HydrophobicContact CZ-CG 4.38Å; F53-L57 WeakPolarHBondContact O-CG 3.43Å; F53-L57 PolarHBondContact O-N 2.99Å; F53-L57 VanDerWaalsContact O-N 3.14Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; L57-G59 PolarHBondContact O-N 2.89Å; L57-F99 HydrophobicContact CD1-CD2 3.99Å; L57-F99 HydrophobicContact CD1-CE2 4.27Å
58S34.3Very low39.3Very low87 Ų8782.4 Ų82.461%0.60849%0.488SS*.THydrogen-bonded Turntrans-70.84177.757.10000114.1L54 Y55 G60L54-S58 VanDerWaalsContact O-CB 3.27Å; L54-S58 WeakPolarHBondContact O-CB 3.44Å; L54-S58 PolarHBondContact O-N 3.23Å; L54-S58 PolarHBondContact O-OG 2.67Å; Y55-S58 PolarHBondContact O-OG 3.21Å; S58-G60 PolarHBondContact O-N 3.39Å
59G39.9Very low37.7Very low49 Ų4988.7 Ų88.751%0.50552%0.52SS..THydrogen-bonded Turntrans62.330.8-179.900000112.6L57 F61 A62L57-G59 PolarHBondContact O-N 2.89Å; G59-F61 CarbonylContact O-C 3.55Å; G59-F61 PolarHBondContact O-N 2.96Å; G59-A62 PolarHBondContact O-N 3.29Å
60G37.1Very low36.2Very low36 Ų3694.8 Ų94.837%0.37155%0.551SS.*  trans-55.6-1.2-176.600000116.4Y55 S58Y55-G60 PolarHBondContact OH-O 3.38Å; S58-G60 PolarHBondContact O-N 3.39Å
61F38.6Very low35Very low129 Ų129103.4 Ų103.457%0.56658%0.581SS**  trans-94.364.7157.9-91.3-103.3000110.9G59 L63G59-F61 CarbonylContact O-C 3.55Å; G59-F61 PolarHBondContact O-N 2.96Å; F61-L63 HydrophobicContact CD1-CD1 3.43Å; F61-L63 VanDerWaalsContact CD1-CD1 3.43Å; F61-L63 HydrophobicContact CD1-CD2 4.44Å; F61-L63 HydrophobicContact CD1-CG 3.54Å; F61-L63 HydrophobicContact CE1-CD1 3.67Å; F61-L63 HydrophobicContact CE1-CG 4.05Å; F61-L63 PolarHBondContact O-N 3.31Å
62A32.4Very low33.8Very low99 Ų99110.5 Ų110.582%0.81860%0.601SS**  trans-74.560.9152.800000108.8G59 G64G59-A62 PolarHBondContact O-N 3.29Å; A62-G64 PolarHBondContact O-N 3.43Å
63L31.9Very low32.8Very low116 Ų116113.9 Ų113.961%0.60763%0.628SS**  trans-69.7121.2162.5-73.3-177.8000106.8F61 Y65F61-L63 HydrophobicContact CD1-CD1 3.43Å; F61-L63 VanDerWaalsContact CD1-CD1 3.43Å; F61-L63 HydrophobicContact CD1-CD2 4.44Å; F61-L63 HydrophobicContact CD1-CG 3.54Å; F61-L63 HydrophobicContact CE1-CD1 3.67Å; F61-L63 HydrophobicContact CE1-CG 4.05Å; F61-L63 PolarHBondContact O-N 3.31Å; L63-Y65 PolarHBondContact O-N 2.91Å
64G27.4Very low31.9Very low77 Ų77119 Ų11979%0.79466%0.656SS**SBendtrans-65.257.4-179.300000114.8A62A62-G64 PolarHBondContact O-N 3.43Å
65Y27.4Very low31.5Very low211 Ų211123.8 Ų123.883%0.82768%0.681SS**  trans-133.3107.6170.3-68.2-79000108.7L63L63-Y65 PolarHBondContact O-N 2.91Å
66G25.7Very low30.9Very low70 Ų70121.1 Ų121.172%0.72269%0.693SS**  trans-57.4147.3172.800000111.9
67V25.8Very low30.4Very low129 Ų129123.5 Ų123.578%0.78271%0.705SS**  trans54.393.7157.9-169.60000114.8
68L26Very low30.1Very low152 Ų152130 Ų13080%0.79672%0.723SS**  trans-126.869.5152.7-135.7113.9000110.6I70L68-I70 WeakPolarHBondContact CD2-O 3.31Å
69I25.9Very low29.8Very low141 Ų141133.5 Ų133.572%0.72374%0.735SS**  trans-61.7132.2140-61.6172000105.1
70I26.6Very low29.7Very low137 Ų137135.1 Ų135.170%0.70373%0.731SS**  trans96.497.7170.7-46.9153000115.5L68L68-I70 WeakPolarHBondContact CD2-O 3.31Å
71R29.6Very low29.4Very low230 Ų230138 Ų13887%0.86874%0.738SS**  -175.270125.7-101.7-176.8-172.7-121.33.5112.8
72Y27.6Very low29Very low200 Ų200135.3 Ų135.378%0.78474%0.74SS**  trans-92117.9142.8-78.9-85.9000107L74Y72-L74 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 3.34Å
73P31Very low29.1Very low120 Ų120135.7 Ų135.778%0.77973%0.731SS**  trans-70.697.2160.117.8-7.4000106.6L75P73-L75 PolarHBondContact O-N 3.38Å
74L28.8Very low29.2Very low144 Ų144133.7 Ų133.775%0.75472%0.724SS**  trans-55.7102.6169.5-70.6167.2000108.9Y72 G76Y72-L74 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 3.34Å; L74-G76 VanDerWaalsContact C-N 3.34Å; L74-G76 PolarHBondContact O-N 2.72Å
75L29.6Very low29.3Very low168 Ų168135 Ų13588%0.8871%0.712SS**  trans-65.195.9160-87.5154.5000108P73 I77P73-L75 PolarHBondContact O-N 3.38Å; L75-I77 PolarHBondContact O-N 2.85Å
76G28.4Very low29.5Very low74 Ų74130.9 Ų130.976%0.76370%0.702SS**SBendtrans77.15.5142.500000120.3L74 R78L74-G76 VanDerWaalsContact C-N 3.34Å; L74-G76 PolarHBondContact O-N 2.72Å; G76-R78 PolarHBondContact O-N 3.04Å
77I30.3Very low29.9Very low122 Ų122131.6 Ų131.663%0.62670%0.701SS**  trans-92.295.1-178.9-52.8178.7000110.8L75 I80L75-I77 PolarHBondContact O-N 2.85Å; I77-I80 HydrophobicContact CG2-CD1 4.27Å; I77-I80 HydrophobicContact CG2-CG1 3.99Å
78R27.8Very low30.4Very low239 Ų239129.1 Ų129.190%0.90269%0.694SS**  trans-74.1132.4161.9-67.9-178.7172.5-146.9-1.9108G76G76-R78 PolarHBondContact O-N 3.04Å
79N28.6Very low30.8Very low160 Ų160128.4 Ų128.486%0.85669%0.685SS**  trans78.182.4-176.9-88.8-40.5000116.6
80I36.4Very low31.3Very low83 Ų83128 Ų12843%0.42669%0.685SS.*  trans-112.2104.8154.5-62.9-179.2000106.1I77 T84 L85I77-I80 HydrophobicContact CG2-CD1 4.27Å; I77-I80 HydrophobicContact CG2-CG1 3.99Å; I80-T84 HydrophobicContact CG2-CG2 3.8Å; I80-L85 HydrophobicContact CG2-CD1 4.38Å
81N32.1Very low31.8Very low96 Ų96130.1 Ų130.151%0.51369%0.691SS.*  trans-73155.5173.551.44.9000110.3V83 T84 L85N81-V83 PolarHBondContact O-N 3.2Å; N81-T84 PolarHBondContact O-N 3.2Å; N81-T84 PolarHBondContact OD1-OG1 3.01Å; N81-L85 PolarHBondContact O-N 2.88Å
82A30.2Very low31.7Very low74 Ų74124.1 Ų124.161%0.61268%0.683SS**Hα-helixtrans-51.4-26.7-175.300000113.9L85 M86A82-L85 PolarHBondContact O-N 3.2Å; A82-M86 WeakPolarHBondContact O-CB 3.5Å; A82-M86 WeakPolarHBondContact O-CG 3.2Å; A82-M86 PolarHBondContact O-N 3.29Å
83V33.6Very low32.4Very low106 Ų106123 Ų12364%0.64269%0.685SS**Hα-helixtrans-67.6-33.1176.4179.40000113N81 M86 A87N81-V83 PolarHBondContact O-N 3.2Å; V83-M86 PolarHBondContact O-N 2.96Å; V83-A87 PolarHBondContact O-N 2.94Å
84T34.5Very low32.5Very low75 Ų75124.3 Ų124.346%0.4668%0.684SS.*Hα-helixtrans-78.4-29.7176.7-54.80000111.6I80 N81 A88I80-T84 HydrophobicContact CG2-CG2 3.8Å; N81-T84 PolarHBondContact O-N 3.2Å; N81-T84 PolarHBondContact OD1-OG1 3.01Å; T84-A88 PolarHBondContact O-N 3.43Å
85L29.9Very low32.8Very low103 Ų103124.2 Ų124.254%0.53969%0.685SS.*Hα-helixtrans-71.2-39.6169-141.390000110.6I80 N81 A82 A87 A88 F89I80-L85 HydrophobicContact CG2-CD1 4.38Å; N81-L85 PolarHBondContact O-N 2.88Å; A82-L85 PolarHBondContact O-N 3.2Å; L85-A87 PolarHBondContact O-N 3.14Å; L85-A88 PolarHBondContact O-N 2.99Å; L85-A88 VanDerWaalsContact O-N 3.11Å; L85-F89 HydrophobicContact CD2-CE2 4.48Å; L85-F89 HydrophobicContact CG-CD2 4.27Å; L85-F89 HydrophobicContact CG-CE2 4.34Å; L85-F89 WeakPolarHBondContact O-CD2 3.45Å; L85-F89 PolarHBondContact O-N 2.93Å; L85-F89 VanDerWaalsContact O-N 3.13Å
86M30.4Very low32.8Very low126 Ų126120.8 Ų120.862%0.62167%0.671SS**Hα-helixtrans-65.4-36.5176.4-68.3-124.2-90.500111.9A82 V83 A88 F89 D90A82-M86 WeakPolarHBondContact O-CB 3.5Å; A82-M86 WeakPolarHBondContact O-CG 3.2Å; A82-M86 PolarHBondContact O-N 3.29Å; V83-M86 PolarHBondContact O-N 2.96Å; M86-A88 PolarHBondContact O-N 2.69Å; M86-F89 CarbonylContact O-C 3.42Å; M86-F89 PolarHBondContact O-N 2.95Å; M86-D90 VanDerWaalsContact O-CB 3.31Å; M86-D90 WeakPolarHBondContact O-CB 3.06Å; M86-D90 PolarHBondContact O-N 2.73Å
87A35.4Very low33.3Very low84 Ų84122.3 Ų122.369%0.69466%0.662SS**Hα-helixtrans-67.3-20.6172.400000114.4V83 L85V83-A87 PolarHBondContact O-N 2.94Å; L85-A87 PolarHBondContact O-N 3.14Å
88A34.9Very low33.7Very low77 Ų77120.2 Ų120.264%0.63665%0.65SS**Hα-helixtrans-88.1-12.1172.500000112.9T84 L85 M86T84-A88 PolarHBondContact O-N 3.43Å; L85-A88 PolarHBondContact O-N 2.99Å; L85-A88 VanDerWaalsContact O-N 3.11Å; M86-A88 PolarHBondContact O-N 2.69Å
89F35.9Very low34.6Very low137 Ų137109.5 Ų109.560%0.60161%0.61SS**Hα-helixtrans-120.4-1.2-178.9-79.5-78.1000114.3L85 M86 H91 C92L85-F89 HydrophobicContact CD2-CE2 4.48Å; L85-F89 HydrophobicContact CG-CD2 4.27Å; L85-F89 HydrophobicContact CG-CE2 4.34Å; L85-F89 WeakPolarHBondContact O-CD2 3.45Å; L85-F89 PolarHBondContact O-N 2.93Å; L85-F89 VanDerWaalsContact O-N 3.13Å; M86-F89 CarbonylContact O-C 3.42Å; M86-F89 PolarHBondContact O-N 2.95Å; F89-H91 PolarHBondContact O-N 2.95Å; F89-C92 PolarHBondContact O-N 3.41Å; F89-C92 VanDerWaalsContact O-N 3.1Å
90D35.4Very low35.6Very low134 Ų134103.5 Ų103.572%0.71758%0.578SS**THydrogen-bonded Turntrans-74.319.3176.9-129.713.9000114M86M86-D90 VanDerWaalsContact O-CB 3.31Å; M86-D90 WeakPolarHBondContact O-CB 3.06Å; M86-D90 PolarHBondContact O-N 2.73Å
91H37.5Very low35.9Very low181 Ų181103.4 Ų103.484%0.83858%0.578SS**THydrogen-bonded Turntrans-124.123.7166.3-82.3-17.7000112.4F89 E93F89-H91 PolarHBondContact O-N 2.95Å; H91-E93 PolarHBondContact O-N 2.86Å
92C28.1Very low36.9Very low103 Ų103104 Ų10470%0.69658%0.582SS**  trans-83.283.8168.2-1400000110.4F89F89-C92 PolarHBondContact O-N 3.41Å; F89-C92 VanDerWaalsContact O-N 3.1Å
93E40.8Very low38.1Very low178 Ų178103.5 Ų103.583%0.83258%0.583SS**  trans-114.9100.9143.8-77.3-172.4162.200105.2H91H91-E93 PolarHBondContact O-N 2.86Å
94L33.4Very low39.5Very low146 Ų146101.5 Ų101.576%0.76457%0.569SS**  68.99898.2-80.2153.9000112.1
95N34.7Very low40.9Very low143 Ų143100.6 Ų100.677%0.76558%0.575SS**  trans3399.5132.3-169.234000116.2
96T30Very low42.6Very low95 Ų9596.8 Ų96.858%0.58356%0.556SS**  167.8129.2129.328.80000107.2M98T96-M98 WeakPolarHBondContact O-CG 3.35Å
97D38.8Very low44.4Very low107 Ų10791.1 Ų91.157%0.57253%0.528SS*.  trans30.3123.6143.5-39.9-38.6000115N101D97-N101 VanDerWaalsContact CA-OD1 3.29Å; D97-N101 WeakPolarHBondContact CA-OD1 3.37Å; D97-N101 HydrophobicContact CB-CB 3.56Å; D97-N101 WeakPolarHBondContact CB-ND2 3.15Å; D97-N101 WeakPolarHBondContact CB-OD1 3.44Å; D97-N101 PolarHBondContact O-ND2 2.78Å; D97-N101 PolarHBondContact O-OD1 3.41Å
98M39.4Very low46.1Very low77 Ų7789.7 Ų89.738%0.37951%0.509SS..  trans-143.317-178.8-88.1-16176.900122.6T96 N101 E110 E111T96-M98 WeakPolarHBondContact O-CG 3.35Å; M98-N101 VanDerWaalsContact CA-OD1 3.23Å; M98-N101 WeakPolarHBondContact CA-OD1 3.49Å; M98-N101 PolarHBondContact N-OD1 3.3Å; M98-E110 HydrophobicContact CE-CB 4.1Å; M98-E110 WeakPolarHBondContact CE-O 3.39Å; M98-E111 WeakPolarHBondContact O-CA 3.46Å; M98-E111 VanDerWaalsContact O-CB 3.27Å; M98-E111 WeakPolarHBondContact O-CB 3.44Å; M98-E111 WeakPolarHBondContact O-CG 3.44Å
99F46.8Very low48Very low14 Ų1487.1 Ų87.16%0.06148%0.483CS..SBendtrans-139.4-13.3174.8-86.4-82000117.8F53 L54 L57 N101 E111 A114 L115F53-F99 HydrophobicContact CD1-CD1 4.42Å; F53-F99 AromaticContact CD1-CD2 3.35Å; F53-F99 HydrophobicContact CD1-CD2 3.35Å; F53-F99 AromaticContact CD1-CE2 3.65Å; F53-F99 HydrophobicContact CD1-CE2 3.65Å; F53-F99 AromaticContact CD1-CG 3.82Å; F53-F99 HydrophobicContact CD1-CG 3.82Å; F53-F99 HydrophobicContact CD1-CZ 4.18Å; F53-F99 AromaticContact CE1-CD2 3.1Å; F53-F99 HydrophobicContact CE1-CD2 3.1Å; F53-F99 HydrophobicContact CE1-CE1 4.38Å; F53-F99 AromaticContact CE1-CE2 2.94Å; F53-F99 HydrophobicContact CE1-CE2 2.94Å; F53-F99 AromaticContact CE1-CG 4Å; F53-F99 HydrophobicContact CE1-CG 4Å; F53-F99 AromaticContact CE1-CZ 3.6Å; F53-F99 HydrophobicContact CE1-CZ 3.6Å; F53-F99 HydrophobicContact CZ-CD2 4.26Å; F53-F99 AromaticContact CZ-CE2 3.72Å; F53-F99 HydrophobicContact CZ-CE2 3.72Å; F53-F99 HydrophobicContact CZ-CZ 4.1Å; L54-F99 HydrophobicContact CD2-CB 3.72Å; L57-F99 HydrophobicContact CD1-CD2 3.99Å; L57-F99 HydrophobicContact CD1-CE2 4.27Å; F99-N101 PolarHBondContact N-OD1 3.23Å; F99-E111 WeakPolarHBondContact CA-OE1 3.22Å; F99-E111 HydrophobicContact CD1-CB 3.75Å; F99-E111 HydrophobicContact CE1-CB 3.83Å; F99-E111 WeakPolarHBondContact CE1-O 3.26Å; F99-E111 HydrophobicContact CG-CB 4.28Å; F99-E111 HydrophobicContact CZ-CB 4.36Å; F99-E111 WeakPolarHBondContact CZ-O 3.38Å; F99-E111 PolarHBondContact N-OE1 3.47Å; F99-A114 HydrophobicContact CE2-CB 3.54Å; F99-A114 HydrophobicContact CZ-CB 3.3Å; F99-L115 HydrophobicContact CE1-CB 3.64Å; F99-L115 HydrophobicContact CZ-CB 4.27Å; F99-L115 VanDerWaalsContact CZ-N 3.33Å
100D49Very low49.6Very low35 Ų3585.3 Ų85.319%0.18748%0.477CS..  trans-170.669.3165.5179.28.1000105.9N102 G103 D104 G105 E111D100-N102 PolarHBondContact O-N 2.7Å; D100-N102 PolarHBondContact OD1-OD1 2.85Å; D100-G103 VanDerWaalsContact CG-C 3.44Å; D100-G103 VanDerWaalsContact CG-N 3.3Å; D100-G103 PolarHBondContact O-N 3.33Å; D100-G103 VanDerWaalsContact OD1-C 3.24Å; D100-G103 WeakPolarHBondContact OD1-CA 3.43Å; D100-G103 PolarHBondContact OD1-N 3.27Å; D100-G103 WeakPolarHBondContact OD2-CA 3.28Å; D100-D104 PolarHBondContact OD1-N 2.81Å; D100-D104 PolarHBondContact OD2-N 3.38Å; D100-G105 PolarHBondContact OD2-N 2.87Å; D100-E111 WeakPolarHBondContact CA-OE1 3.49Å; D100-E111 PolarHBondContact N-OE1 3.28Å
101N43.5Very low51.1Low80 Ų8079 Ų7943%0.42844%0.443SS..THydrogen-bonded Turntrans-62.8-16.1-169.6-60.8-13.1000113.8D97 M98 F99D97-N101 VanDerWaalsContact CA-OD1 3.29Å; D97-N101 WeakPolarHBondContact CA-OD1 3.37Å; D97-N101 HydrophobicContact CB-CB 3.56Å; D97-N101 WeakPolarHBondContact CB-ND2 3.15Å; D97-N101 WeakPolarHBondContact CB-OD1 3.44Å; D97-N101 PolarHBondContact O-ND2 2.78Å; D97-N101 PolarHBondContact O-OD1 3.41Å; M98-N101 VanDerWaalsContact CA-OD1 3.23Å; M98-N101 WeakPolarHBondContact CA-OD1 3.49Å; M98-N101 PolarHBondContact N-OD1 3.3Å; F99-N101 PolarHBondContact N-OD1 3.23Å
102N52.9Low52.6Low110 Ų11070.7 Ų70.759%0.58840%0.404SS*.THydrogen-bonded Turntrans-111.1-4.8-17855.6-24.3000113.1D100 D104D100-N102 PolarHBondContact O-N 2.7Å; D100-N102 PolarHBondContact OD1-OD1 2.85Å; N102-D104 VanDerWaalsContact C-N 3.34Å; N102-D104 VanDerWaalsContact ND2-CG 3.35Å; N102-D104 PolarHBondContact ND2-OD2 3Å; N102-D104 PolarHBondContact OD1-OD2 2.83Å
103G54.3Low54.5Low62 Ų6270.3 Ų70.364%0.63939%0.389SS*.SBendtrans71.922-179.400000114.4D100D100-G103 VanDerWaalsContact CG-C 3.44Å; D100-G103 VanDerWaalsContact CG-N 3.3Å; D100-G103 PolarHBondContact O-N 3.33Å; D100-G103 VanDerWaalsContact OD1-C 3.24Å; D100-G103 WeakPolarHBondContact OD1-CA 3.43Å; D100-G103 PolarHBondContact OD1-N 3.27Å; D100-G103 WeakPolarHBondContact OD2-CA 3.28Å
104D64.6Low55.6Low65 Ų6562.9 Ų62.935%0.34836%0.358SS..  trans-80-12.4-177.378.616.5000115.7D100 N102 T106D100-D104 PolarHBondContact OD1-N 2.81Å; D100-D104 PolarHBondContact OD2-N 3.38Å; N102-D104 VanDerWaalsContact C-N 3.34Å; N102-D104 VanDerWaalsContact ND2-CG 3.35Å; N102-D104 PolarHBondContact ND2-OD2 3Å; N102-D104 PolarHBondContact OD1-OD2 2.83Å; D104-T106 WeakPolarHBondContact OD1-CA 3.05Å; D104-T106 WeakPolarHBondContact OD1-CB 3.34Å; D104-T106 PolarHBondContact OD1-N 2.82Å; D104-T106 PolarHBondContact OD1-OG1 3.47Å; D104-T106 PolarHBondContact OD2-OG1 3.31Å
105G63.3Low57.2Low56 Ų5656.5 Ų56.558%0.57732%0.324SS*.SBendtrans79.818.4177.700000115.4D100D100-G105 PolarHBondContact OD2-N 2.87Å
106T65.7Low58.8Low23 Ų2352.8 Ų52.814%0.14130%0.3CS..  trans-124.1170.8179.575.90000112.7Q23 D104Q23-T106 HydrophobicContact CB-CG2 4.23Å; Q23-T106 VanDerWaalsContact OE1-CG2 3.31Å; Q23-T106 PolarHBondContact OE1-OG1 2.91Å; D104-T106 WeakPolarHBondContact OD1-CA 3.05Å; D104-T106 WeakPolarHBondContact OD1-CB 3.34Å; D104-T106 PolarHBondContact OD1-N 2.82Å; D104-T106 PolarHBondContact OD1-OG1 3.47Å; D104-T106 PolarHBondContact OD2-OG1 3.31Å
107V67.3Low60.5Low7 Ų753.9 Ų53.94%0.04230%0.296CS..BIsolated β-bridgetrans-121109.8179.8178.80000109.9I24 E111 F112 L115I24-V107 HydrophobicContact CB-CB 4.16Å; I24-V107 PolarHBondContact N-O 2.73Å; I24-V107 PolarHBondContact O-N 3.3Å; V107-E111 VanDerWaalsContact CA-OE2 3.29Å; V107-E111 WeakPolarHBondContact CA-OE2 3.3Å; V107-E111 HydrophobicContact CG1-CB 3.68Å; V107-F112 HydrophobicContact CG1-CB 4.19Å; V107-L115 HydrophobicContact CG1-CD2 4.24Å
108N72.6Confident61.7Low53 Ų5350.2 Ų50.228%0.28328%0.275SS..  trans-79.4178.6173.176.559.5000112E110 E111 F112N108-E110 PolarHBondContact O-N 2.88Å; N108-E110 PolarHBondContact OD1-N 3.4Å; N108-E111 PolarHBondContact N-OE2 2.72Å; N108-E111 WeakPolarHBondContact ND2-CG 3.26Å; N108-E111 PolarHBondContact ND2-OE1 2.73Å; N108-E111 PolarHBondContact ND2-OE2 3.1Å; N108-E111 VanDerWaalsContact ND2-OE2 3.14Å; N108-E111 PolarHBondContact O-N 3.16Å; N108-E111 WeakPolarHBondContact OD1-CG 3.49Å; N108-E111 PolarHBondContact OD1-N 2.83Å; N108-F112 WeakPolarHBondContact O-CB 3.47Å; N108-F112 PolarHBondContact O-N 3.15Å
109F74.9Confident63Low24 Ų2447.4 Ų47.411%0.10526%0.261CS..Hα-helixtrans-62-39.4-174.2-177.7-102.4000114.9R6 L9 M10 F13 E111 F112 Y113R6-F109 HydrophobicContact CG-CE1 3.85Å; R6-F109 HydrophobicContact CG-CZ 3.89Å; L9-F109 HydrophobicContact CB-CE2 4.11Å; L9-F109 HydrophobicContact CB-CZ 4.06Å; M10-F109 VanDerWaalsContact CA-CE2 3.47Å; M10-F109 HydrophobicContact CB-CE2 3.94Å; M10-F109 HydrophobicContact CB-CZ 4.23Å; M10-F109 HydrophobicContact CE-CB 4.43Å; M10-F109 HydrophobicContact CE-CD1 3.69Å; M10-F109 HydrophobicContact CE-CD2 3.47Å; M10-F109 VanDerWaalsContact CE-CD2 3.47Å; M10-F109 HydrophobicContact CE-CE1 3.72Å; M10-F109 HydrophobicContact CE-CE2 3.54Å; M10-F109 HydrophobicContact CE-CG 3.55Å; M10-F109 HydrophobicContact CE-CZ 3.65Å; M10-F109 HydrophobicContact SD-CD2 3.72Å; M10-F109 HydrophobicContact SD-CE2 3.87Å; M10-F109 HydrophobicContact SD-CG 4.29Å; F13-F109 HydrophobicContact CB-CD2 3.85Å; F13-F109 HydrophobicContact CB-CE2 4.15Å; F13-F109 HydrophobicContact CD1-CD2 4.43Å; F13-F109 HydrophobicContact CD2-CB 4.41Å; F13-F109 AromaticContact CD2-CD2 4Å; F13-F109 HydrophobicContact CD2-CD2 4Å; F13-F109 HydrophobicContact CE2-CB 4.37Å; F13-F109 AromaticContact CG-CD2 3.82Å; F13-F109 HydrophobicContact CG-CD2 3.82Å; F109-E111 VanDerWaalsContact C-N 3.3Å; F109-F112 WeakPolarHBondContact O-CB 3.1Å; F109-F112 PolarHBondContact O-N 3.2Å; F109-Y113 PolarHBondContact O-N 2.81Å
110E69.6Low63.9Low99 Ų9949 Ų4946%0.46327%0.272SS..Hα-helixtrans-69-37.1-178.8-63-58149.300110.3R6 M98 N108 Y113R6-E110 IonicContact NH2-OE1 3.77Å; M98-E110 HydrophobicContact CE-CB 4.1Å; M98-E110 WeakPolarHBondContact CE-O 3.39Å; N108-E110 PolarHBondContact O-N 2.88Å; N108-E110 PolarHBondContact OD1-N 3.4Å; E110-Y113 WeakPolarHBondContact O-CB 3.37Å; E110-Y113 PolarHBondContact O-N 3.47Å
111E65.1Low64.7Low2 Ų248.8 Ų48.81%0.00927%0.271CS..Hα-helixtrans-65.6-46.8173-47.9-176.4140.700109M98 F99 D100 V107 N108 F109 Y113 A114 L115M98-E111 WeakPolarHBondContact O-CA 3.46Å; M98-E111 VanDerWaalsContact O-CB 3.27Å; M98-E111 WeakPolarHBondContact O-CB 3.44Å; M98-E111 WeakPolarHBondContact O-CG 3.44Å; F99-E111 WeakPolarHBondContact CA-OE1 3.22Å; F99-E111 HydrophobicContact CD1-CB 3.75Å; F99-E111 HydrophobicContact CE1-CB 3.83Å; F99-E111 WeakPolarHBondContact CE1-O 3.26Å; F99-E111 HydrophobicContact CG-CB 4.28Å; F99-E111 HydrophobicContact CZ-CB 4.36Å; F99-E111 WeakPolarHBondContact CZ-O 3.38Å; F99-E111 PolarHBondContact N-OE1 3.47Å; D100-E111 WeakPolarHBondContact CA-OE1 3.49Å; D100-E111 PolarHBondContact N-OE1 3.28Å; V107-E111 VanDerWaalsContact CA-OE2 3.29Å; V107-E111 WeakPolarHBondContact CA-OE2 3.3Å; V107-E111 HydrophobicContact CG1-CB 3.68Å; N108-E111 PolarHBondContact N-OE2 2.72Å; N108-E111 WeakPolarHBondContact ND2-CG 3.26Å; N108-E111 PolarHBondContact ND2-OE1 2.73Å; N108-E111 PolarHBondContact ND2-OE2 3.1Å; N108-E111 VanDerWaalsContact ND2-OE2 3.14Å; N108-E111 PolarHBondContact O-N 3.16Å; N108-E111 WeakPolarHBondContact OD1-CG 3.49Å; N108-E111 PolarHBondContact OD1-N 2.83Å; F109-E111 VanDerWaalsContact C-N 3.3Å; E111-Y113 PolarHBondContact O-N 3.22Å; E111-A114 PolarHBondContact O-N 3.02Å; E111-L115 PolarHBondContact O-N 3.06Å
112F69.7Low65.9Low5 Ų545.3 Ų45.32%0.02225%0.252CS..Hα-helixtrans-54.4-32.5178.7-172.5-101.5000114.1I12 F13 V16 I24 V107 N108 F109 A114 L115 W116I12-F112 HydrophobicContact CB-CE1 4.13Å; I12-F112 HydrophobicContact CB-CZ 4.28Å; I12-F112 HydrophobicContact CG2-CE1 3.96Å; I12-F112 HydrophobicContact CG2-CZ 3.61Å; F13-F112 HydrophobicContact CB-CD1 4Å; F13-F112 HydrophobicContact CB-CE1 4.19Å; F13-F112 HydrophobicContact CB-CG 4.43Å; F13-F112 HydrophobicContact CD2-CB 3.5Å; F13-F112 VanDerWaalsContact CD2-CB 3.5Å; F13-F112 AromaticContact CD2-CD1 3.95Å; F13-F112 HydrophobicContact CD2-CD1 3.95Å; F13-F112 AromaticContact CD2-CD2 4Å; F13-F112 HydrophobicContact CD2-CD2 4Å; F13-F112 AromaticContact CD2-CG 3.55Å; F13-F112 HydrophobicContact CD2-CG 3.55Å; F13-F112 HydrophobicContact CE2-CB 3.91Å; F13-F112 HydrophobicContact CE2-CG 4.33Å; F13-F112 HydrophobicContact CG-CG 4.49Å; V16-F112 HydrophobicContact CG2-CE2 4.43Å; V16-F112 HydrophobicContact CG2-CZ 4.47Å; I24-F112 HydrophobicContact CD1-CD2 3.38Å; I24-F112 HydrophobicContact CD1-CE2 3.68Å; I24-F112 HydrophobicContact CD1-CG 4.18Å; V107-F112 HydrophobicContact CG1-CB 4.19Å; N108-F112 WeakPolarHBondContact O-CB 3.47Å; N108-F112 PolarHBondContact O-N 3.15Å; F109-F112 WeakPolarHBondContact O-CB 3.1Å; F109-F112 PolarHBondContact O-N 3.2Å; F112-A114 PolarHBondContact O-N 2.84Å; F112-L115 HydrophobicContact CD2-CD2 4.41Å; F112-L115 PolarHBondContact O-N 3.28Å; F112-W116 HydrophobicContact CE1-CB 4.29Å; F112-W116 HydrophobicContact CE1-CE3 4.26Å; F112-W116 AromaticContact CZ-CE3 4Å; F112-W116 HydrophobicContact CZ-CE3 4Å; F112-W116 WeakPolarHBondContact O-CB 3.39Å; F112-W116 PolarHBondContact O-N 3.41Å
113Y68.8Low66.6Low95 Ų9541.6 Ų41.637%0.37323%0.233SC..Hα-helixtrans-56.2-51.1175.8179.8-91.5000112.5L9 F109 E110 E111 W116 K117L9-Y113 HydrophobicContact CD1-CD2 3.19Å; L9-Y113 HydrophobicContact CD1-CE2 3.58Å; L9-Y113 HydrophobicContact CD1-CG 4.27Å; F109-Y113 PolarHBondContact O-N 2.81Å; E110-Y113 WeakPolarHBondContact O-CB 3.37Å; E110-Y113 PolarHBondContact O-N 3.47Å; E111-Y113 PolarHBondContact O-N 3.22Å; Y113-W116 PolarHBondContact O-N 2.89Å; Y113-K117 PolarHBondContact O-N 3.35Å
114A64.3Low67.3Low23 Ų2340.5 Ų40.519%0.1922%0.216CC..Hα-helixtrans-76.5-30.8-177.300000112F53 F99 E111 F112 K117 Y118F53-A114 HydrophobicContact CE1-CB 4.48Å; F53-A114 HydrophobicContact CZ-CB 4.01Å; F99-A114 HydrophobicContact CE2-CB 3.54Å; F99-A114 HydrophobicContact CZ-CB 3.3Å; E111-A114 PolarHBondContact O-N 3.02Å; F112-A114 PolarHBondContact O-N 2.84Å; A114-K117 PolarHBondContact O-N 3.03Å; A114-Y118 WeakPolarHBondContact O-CB 3.45Å; A114-Y118 PolarHBondContact O-N 3.01Å
115L65.6Low67.5Low11 Ų1137.5 Ų37.56%0.05820%0.2CC..Hα-helixtrans-63.4-45.4170.5172.364.5000111.1L29 F99 V107 E111 F112 K117 Y118 I119L29-L115 HydrophobicContact CD1-CD2 3.76Å; L29-L115 HydrophobicContact CD2-CD2 3.75Å; L29-L115 HydrophobicContact CG-CD2 4.43Å; F99-L115 HydrophobicContact CE1-CB 3.64Å; F99-L115 HydrophobicContact CZ-CB 4.27Å; F99-L115 VanDerWaalsContact CZ-N 3.33Å; V107-L115 HydrophobicContact CG1-CD2 4.24Å; E111-L115 PolarHBondContact O-N 3.06Å; F112-L115 HydrophobicContact CD2-CD2 4.41Å; F112-L115 PolarHBondContact O-N 3.28Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.23Å; L115-Y118 WeakPolarHBondContact O-CB 3.27Å; L115-Y118 PolarHBondContact O-N 2.97Å; L115-I119 HydrophobicContact CD1-CD1 3.67Å; L115-I119 HydrophobicContact CD1-CG1 4.09Å; L115-I119 HydrophobicContact CD2-CD1 4.45Å; L115-I119 HydrophobicContact CG-CD1 3.67Å; L115-I119 HydrophobicContact CG-CG1 4.49Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3.31Å
116W68.8Low68Low65 Ų6535.2 Ų35.225%0.24617%0.174CC..Hα-helixtrans-59.2-44.9176.2176.8-92000111.5F8 L9 I12 F112 Y113 Y118 I119 T120F8-W116 AromaticContact CE1-CZ2 3.93Å; F8-W116 HydrophobicContact CE1-CZ2 3.93Å; F8-W116 HydrophobicContact CZ-CZ2 4.39Å; L9-W116 HydrophobicContact CD2-CB 4.05Å; L9-W116 HydrophobicContact CD2-CD2 3.87Å; L9-W116 HydrophobicContact CD2-CG 3.47Å; L9-W116 VanDerWaalsContact CD2-CG 3.47Å; I12-W116 HydrophobicContact CB-CZ3 4.43Å; I12-W116 HydrophobicContact CG1-CH2 4.16Å; I12-W116 HydrophobicContact CG1-CZ3 4.32Å; I12-W116 HydrophobicContact CG2-CE3 3.97Å; I12-W116 HydrophobicContact CG2-CH2 4.19Å; I12-W116 HydrophobicContact CG2-CZ3 3.55Å; F112-W116 HydrophobicContact CE1-CB 4.29Å; F112-W116 HydrophobicContact CE1-CE3 4.26Å; F112-W116 AromaticContact CZ-CE3 4Å; F112-W116 HydrophobicContact CZ-CE3 4Å; F112-W116 WeakPolarHBondContact O-CB 3.39Å; F112-W116 PolarHBondContact O-N 3.41Å; Y113-W116 PolarHBondContact O-N 2.89Å; W116-Y118 VanDerWaalsContact C-N 3.34Å; W116-Y118 PolarHBondContact O-N 3.29Å; W116-I119 PolarHBondContact O-N 3.46Å; W116-T120 PolarHBondContact NE1-OG1 3.48Å; W116-T120 VanDerWaalsContact O-CB 3.26Å; W116-T120 WeakPolarHBondContact O-CB 3.39Å; W116-T120 PolarHBondContact O-N 3.23Å; W116-T120 PolarHBondContact O-OG1 2.87Å
117K66Low68.6Low118 Ų11841.5 Ų41.551%0.51320%0.195SC..Hα-helixtrans-58.6-48.3175.7-174.4179.7177.1-175.10110.9Y113 A114 L115 I119 T120 D121Y113-K117 PolarHBondContact O-N 3.35Å; A114-K117 PolarHBondContact O-N 3.03Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.23Å; K117-I119 PolarHBondContact O-N 2.84Å; K117-T120 WeakPolarHBondContact O-CB 3.31Å; K117-T120 PolarHBondContact O-N 3.17Å; K117-D121 WeakPolarHBondContact O-CB 3.29Å; K117-D121 PolarHBondContact O-N 3Å
118Y63.5Low69.2Low30 Ų3045.9 Ų45.912%0.11822%0.218CC..Hα-helixtrans-60.6-45.7178.4179.2-89.7000112.8L49 F53 A114 L115 W116 D121 W122 L161L49-Y118 HydrophobicContact CD1-CE1 4.21Å; L49-Y118 HydrophobicContact CD2-CD1 4.48Å; L49-Y118 HydrophobicContact CD2-CE1 3.3Å; L49-Y118 WeakPolarHBondContact CD2-OH 3.35Å; L49-Y118 HydrophobicContact CG-CE1 4.2Å; F53-Y118 HydrophobicContact CD2-CD2 4.01Å; F53-Y118 HydrophobicContact CD2-CE2 4.43Å; F53-Y118 HydrophobicContact CD2-CG 4.35Å; F53-Y118 HydrophobicContact CE2-CD2 4.16Å; F53-Y118 HydrophobicContact CE2-CG 4.46Å; A114-Y118 WeakPolarHBondContact O-CB 3.45Å; A114-Y118 PolarHBondContact O-N 3.01Å; L115-Y118 WeakPolarHBondContact O-CB 3.27Å; L115-Y118 PolarHBondContact O-N 2.97Å; W116-Y118 VanDerWaalsContact C-N 3.34Å; W116-Y118 PolarHBondContact O-N 3.29Å; Y118-D121 PolarHBondContact O-N 3.45Å; Y118-W122 AromaticContact CD1-CD1 3.68Å; Y118-W122 AromaticContact CE1-CD1 3.22Å; Y118-W122 HydrophobicContact CE1-CG 4.41Å; Y118-W122 AromaticContact CE1-NE1 3.35Å; Y118-W122 AromaticContact CE2-CD1 3.78Å; Y118-W122 AromaticContact CE2-NE1 3.34Å; Y118-W122 VanDerWaalsContact CE2-NE1 3.34Å; Y118-W122 AromaticContact CZ-CD1 3.33Å; Y118-W122 AromaticContact CZ-NE1 2.91Å; Y118-W122 VanDerWaalsContact O-CD1 3.31Å; Y118-W122 PolarHBondContact O-N 3.34Å; Y118-W122 PolarHBondContact OH-NE1 3.02Å; Y118-L161 HydrophobicContact CE2-CD1 3.79Å; Y118-L161 WeakPolarHBondContact OH-CD1 3.27Å
119I65.8Low69.7Low18 Ų1844 Ų449%0.09221%0.208CC..Hα-helixtrans-64.4-42176.5-68.2158.8000110.9L33 L115 W116 K117 D121 W122 T123L33-I119 HydrophobicContact CD1-CD1 4.28Å; L33-I119 HydrophobicContact CD2-CD1 3.55Å; L33-I119 HydrophobicContact CD2-CG1 4.15Å; L33-I119 HydrophobicContact CD2-CG2 3.98Å; L33-I119 HydrophobicContact CG-CD1 4.45Å; L115-I119 HydrophobicContact CD1-CD1 3.67Å; L115-I119 HydrophobicContact CD1-CG1 4.09Å; L115-I119 HydrophobicContact CD2-CD1 4.45Å; L115-I119 HydrophobicContact CG-CD1 3.67Å; L115-I119 HydrophobicContact CG-CG1 4.49Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3.31Å; W116-I119 PolarHBondContact O-N 3.46Å; K117-I119 PolarHBondContact O-N 2.84Å; I119-D121 VanDerWaalsContact C-N 3.27Å; I119-D121 PolarHBondContact O-N 3.26Å; I119-W122 PolarHBondContact O-N 3.44Å; I119-T123 WeakPolarHBondContact O-CB 3.35Å; I119-T123 PolarHBondContact O-N 3.41Å; I119-T123 PolarHBondContact O-OG1 3.45Å
120T66.1Low70.1Confident47 Ų4743.2 Ų43.229%0.28820%0.204SC..Hα-helixtrans-61.3-40.8177.8-620000111.1W116 K117 T123 S124W116-T120 PolarHBondContact NE1-OG1 3.48Å; W116-T120 VanDerWaalsContact O-CB 3.26Å; W116-T120 WeakPolarHBondContact O-CB 3.39Å; W116-T120 PolarHBondContact O-N 3.23Å; W116-T120 PolarHBondContact O-OG1 2.87Å; K117-T120 WeakPolarHBondContact O-CB 3.31Å; K117-T120 PolarHBondContact O-N 3.17Å; T120-T123 PolarHBondContact O-N 3.25Å; T120-S124 PolarHBondContact O-N 3.44Å; T120-S124 PolarHBondContact O-OG 3.35Å
121D66Low70.7Confident31 Ų3146.4 Ų46.417%0.16621%0.212CC..Hα-helixtrans-63.6-52.5176.8-74.6-15000110.2K117 Y118 I119 T123 S124 T125 M165K117-D121 WeakPolarHBondContact O-CB 3.29Å; K117-D121 PolarHBondContact O-N 3Å; Y118-D121 PolarHBondContact O-N 3.45Å; I119-D121 VanDerWaalsContact C-N 3.27Å; I119-D121 PolarHBondContact O-N 3.26Å; D121-T123 VanDerWaalsContact C-N 3.3Å; D121-T123 PolarHBondContact O-N 3.33Å; D121-S124 WeakPolarHBondContact O-CA 3.47Å; D121-S124 WeakPolarHBondContact O-CB 3.32Å; D121-S124 PolarHBondContact O-N 3.17Å; D121-T125 PolarHBondContact O-N 2.9Å; D121-M165 HydrophobicContact CB-CE 3.42Å; D121-M165 VanDerWaalsContact CB-CE 3.42Å; D121-M165 HydrophobicContact CB-CG 4.05Å; D121-M165 HydrophobicContact CB-SD 3.74Å; D121-M165 VanDerWaalsContact OD1-CE 3.31Å; D121-M165 WeakPolarHBondContact OD1-CE 3.23Å
122W68.1Low71.7Confident8 Ų851.1 Ų51.13%0.0324%0.237CC..Hα-helixtrans-59.3-38.2175.6-85.5108000114.2Y118 I119 S124 T125 F126 L161 F164 F204 F207 I208 C211Y118-W122 AromaticContact CD1-CD1 3.68Å; Y118-W122 AromaticContact CE1-CD1 3.22Å; Y118-W122 HydrophobicContact CE1-CG 4.41Å; Y118-W122 AromaticContact CE1-NE1 3.35Å; Y118-W122 AromaticContact CE2-CD1 3.78Å; Y118-W122 AromaticContact CE2-NE1 3.34Å; Y118-W122 VanDerWaalsContact CE2-NE1 3.34Å; Y118-W122 AromaticContact CZ-CD1 3.33Å; Y118-W122 AromaticContact CZ-NE1 2.91Å; Y118-W122 VanDerWaalsContact O-CD1 3.31Å; Y118-W122 PolarHBondContact O-N 3.34Å; Y118-W122 PolarHBondContact OH-NE1 3.02Å; I119-W122 PolarHBondContact O-N 3.44Å; W122-S124 VanDerWaalsContact C-N 3.28Å; W122-S124 PolarHBondContact O-N 3.15Å; W122-T125 HydrophobicContact CE3-CG2 3.94Å; W122-T125 HydrophobicContact CZ3-CG2 4.01Å; W122-T125 WeakPolarHBondContact O-CB 3.36Å; W122-T125 PolarHBondContact O-N 2.79Å; W122-F126 WeakPolarHBondContact O-CB 3.46Å; W122-F126 PolarHBondContact O-N 3.41Å; W122-L161 HydrophobicContact CH2-CD2 3.66Å; W122-L161 HydrophobicContact CZ2-CB 4.3Å; W122-L161 HydrophobicContact CZ2-CD1 3.49Å; W122-L161 VanDerWaalsContact CZ2-CD1 3.49Å; W122-L161 HydrophobicContact CZ2-CD2 3.27Å; W122-L161 HydrophobicContact CZ2-CG 3.83Å; W122-F164 HydrophobicContact CH2-CD1 4.46Å; W122-F164 HydrophobicContact CZ3-CD1 4.35Å; W122-F164 HydrophobicContact CZ3-CE1 4.29Å; W122-F204 HydrophobicContact CB-CE2 4.3Å; W122-F204 HydrophobicContact CB-CZ 4.18Å; W122-F207 HydrophobicContact CE3-CE1 4.48Å; W122-F207 HydrophobicContact CZ3-CE1 4.13Å; W122-I208 HydrophobicContact CB-CD1 4.07Å; W122-I208 HydrophobicContact CB-CG1 4.32Å; W122-I208 HydrophobicContact CD2-CG1 4.21Å; W122-I208 HydrophobicContact CE3-CG1 4.26Å; W122-I208 HydrophobicContact CG-CD1 4.33Å; W122-I208 HydrophobicContact CG-CG1 4.26Å; W122-C211 HydrophobicContact CH2-CB 3.5Å; W122-C211 VanDerWaalsContact CH2-CB 3.5Å; W122-C211 HydrophobicContact CZ2-CB 4.43Å; W122-C211 HydrophobicContact CZ3-CB 3.96Å
123T68.9Low72.3Confident31 Ų3156.8 Ų56.819%0.1927%0.268CS..Hα-helixtrans-61.6-41.4175.3-57.10000110.6I119 T120 D121 F126 R127 F204I119-T123 WeakPolarHBondContact O-CB 3.35Å; I119-T123 PolarHBondContact O-N 3.41Å; I119-T123 PolarHBondContact O-OG1 3.45Å; T120-T123 PolarHBondContact O-N 3.25Å; D121-T123 VanDerWaalsContact C-N 3.3Å; D121-T123 PolarHBondContact O-N 3.33Å; T123-F126 PolarHBondContact O-N 3.26Å; T123-R127 VanDerWaalsContact CG2-CZ 3.43Å; T123-R127 WeakPolarHBondContact O-CG 3.42Å; T123-R127 PolarHBondContact O-N 3.47Å; T123-F204 WeakPolarHBondContact OG1-CZ 3.48Å
124S68.5Low73Confident40 Ų4055.2 Ų55.228%0.2827%0.271SS..Hα-helixtrans-65.8-40.9176.5-57.20000111.7T120 D121 W122 N128T120-S124 PolarHBondContact O-N 3.44Å; T120-S124 PolarHBondContact O-OG 3.35Å; D121-S124 WeakPolarHBondContact O-CA 3.47Å; D121-S124 WeakPolarHBondContact O-CB 3.32Å; D121-S124 PolarHBondContact O-N 3.17Å; W122-S124 VanDerWaalsContact C-N 3.28Å; W122-S124 PolarHBondContact O-N 3.15Å; S124-N128 VanDerWaalsContact O-CG 3.3Å; S124-N128 PolarHBondContact O-N 2.81Å; S124-N128 PolarHBondContact O-ND2 3.21Å; S124-N128 VanDerWaalsContact O-ND2 3.14Å
125T68.7Low73.9Confident1 Ų156 Ų561%0.00628%0.282CS..Hα-helixtrans-60.9-49173.4-79.80000111.9D121 W122 R127 N128 F129 F164 M165 L168 F207D121-T125 PolarHBondContact O-N 2.9Å; W122-T125 HydrophobicContact CE3-CG2 3.94Å; W122-T125 HydrophobicContact CZ3-CG2 4.01Å; W122-T125 WeakPolarHBondContact O-CB 3.36Å; W122-T125 PolarHBondContact O-N 2.79Å; T125-R127 VanDerWaalsContact C-N 3.35Å; T125-R127 PolarHBondContact O-N 3Å; T125-N128 WeakPolarHBondContact O-CB 3.42Å; T125-N128 PolarHBondContact O-N 3.46Å; T125-N128 VanDerWaalsContact O-N 3.1Å; T125-F129 HydrophobicContact CG2-CD2 4.18Å; T125-F129 HydrophobicContact CG2-CE2 3.77Å; T125-F129 VanDerWaalsContact O-CD2 3.31Å; T125-F129 WeakPolarHBondContact O-CD2 3.25Å; T125-F129 PolarHBondContact O-N 2.7Å; T125-F164 HydrophobicContact CG2-CD1 3.91Å; T125-F164 HydrophobicContact CG2-CE1 3.37Å; T125-F164 HydrophobicContact CG2-CZ 4.41Å; T125-M165 PolarHBondContact OG1-SD 2.93Å; T125-L168 HydrophobicContact CG2-CD1 4.23Å; T125-F207 HydrophobicContact CG2-CE1 4.25Å
126F74.7Confident74.9Confident9 Ų956.5 Ų56.54%0.03929%0.286CS..Hα-helixtrans-59.4-46.8-179.7-178.2-89.2000111.1W122 T123 N128 F129 D130 I137 F204 F207W122-F126 WeakPolarHBondContact O-CB 3.46Å; W122-F126 PolarHBondContact O-N 3.41Å; T123-F126 PolarHBondContact O-N 3.26Å; F126-N128 PolarHBondContact O-N 2.79Å; F126-F129 WeakPolarHBondContact O-CA 3.48Å; F126-F129 PolarHBondContact O-N 3.42Å; F126-D130 HydrophobicContact CD1-CB 4.13Å; F126-D130 HydrophobicContact CE1-CB 3.88Å; F126-D130 PolarHBondContact O-N 3.28Å; F126-I137 HydrophobicContact CD2-CD1 3.45Å; F126-I137 VanDerWaalsContact CD2-CD1 3.45Å; F126-I137 HydrophobicContact CD2-CG1 4.07Å; F126-I137 HydrophobicContact CE2-CB 4.44Å; F126-I137 HydrophobicContact CE2-CD1 3.36Å; F126-I137 HydrophobicContact CE2-CG1 3.53Å; F126-I137 HydrophobicContact CG-CD1 4.31Å; F126-I137 HydrophobicContact CZ-CD1 4.16Å; F126-I137 HydrophobicContact CZ-CG1 3.85Å; F126-F204 HydrophobicContact CB-CD2 3.62Å; F126-F204 HydrophobicContact CB-CE2 3.79Å; F126-F204 HydrophobicContact CD1-CD2 4.11Å; F126-F204 HydrophobicContact CD2-CB 4.3Å; F126-F204 AromaticContact CD2-CD2 3.69Å; F126-F204 HydrophobicContact CD2-CD2 3.69Å; F126-F204 HydrophobicContact CD2-CG 4.49Å; F126-F204 HydrophobicContact CE2-CB 4.12Å; F126-F204 HydrophobicContact CE2-CD2 4.35Å; F126-F204 AromaticContact CG-CD2 3.54Å; F126-F204 HydrophobicContact CG-CD2 3.54Å; F126-F204 HydrophobicContact CG-CE2 4.23Å; F126-F204 HydrophobicContact CZ-CB 4.24Å; F126-F207 HydrophobicContact CD2-CB 3.96Å; F126-F207 AromaticContact CD2-CD1 3.73Å; F126-F207 HydrophobicContact CD2-CD1 3.73Å; F126-F207 HydrophobicContact CD2-CE1 4.48Å; F126-F207 AromaticContact CD2-CG 3.96Å; F126-F207 HydrophobicContact CD2-CG 3.96Å; F126-F207 HydrophobicContact CE2-CB 3.94Å; F126-F207 HydrophobicContact CE2-CG 4.3Å
127R78Confident75.7Confident155 Ų15553.4 Ų53.459%0.58527%0.274SS*.Hα-helixtrans-62.1-24.9176.2-72.3-179.9-172.4142.51.9114.1T123 T125 F129T123-R127 VanDerWaalsContact CG2-CZ 3.43Å; T123-R127 WeakPolarHBondContact O-CG 3.42Å; T123-R127 PolarHBondContact O-N 3.47Å; T125-R127 VanDerWaalsContact C-N 3.35Å; T125-R127 PolarHBondContact O-N 3Å; R127-F129 VanDerWaalsContact C-N 3.26Å
128N78.6Confident76.8Confident99 Ų9949.9 Ų49.953%0.52926%0.261SS..Hα-helixtrans-72.5-23.1173.3-71.7-37.4000112.4S124 T125 F126 L168S124-N128 VanDerWaalsContact O-CG 3.3Å; S124-N128 PolarHBondContact O-N 2.81Å; S124-N128 PolarHBondContact O-ND2 3.21Å; S124-N128 VanDerWaalsContact O-ND2 3.14Å; T125-N128 WeakPolarHBondContact O-CB 3.42Å; T125-N128 PolarHBondContact O-N 3.46Å; T125-N128 VanDerWaalsContact O-N 3.1Å; F126-N128 PolarHBondContact O-N 2.79Å; N128-L168 HydrophobicContact CB-CD1 4.21Å
129F83.2Confident78Confident13 Ų1352 Ų526%0.05727%0.271CS..Hα-helixtrans-96.9-36.7178.2-63.2-53.8000113.3T125 F126 R127 R131 I137 E141 A145 A148 F164 L168 F207T125-F129 HydrophobicContact CG2-CD2 4.18Å; T125-F129 HydrophobicContact CG2-CE2 3.77Å; T125-F129 VanDerWaalsContact O-CD2 3.31Å; T125-F129 WeakPolarHBondContact O-CD2 3.25Å; T125-F129 PolarHBondContact O-N 2.7Å; F126-F129 WeakPolarHBondContact O-CA 3.48Å; F126-F129 PolarHBondContact O-N 3.42Å; R127-F129 VanDerWaalsContact C-N 3.26Å; F129-R131 PolarHBondContact O-N 3.43Å; F129-I137 HydrophobicContact CB-CD1 4.04Å; F129-I137 HydrophobicContact CB-CG1 4.48Å; F129-E141 WeakPolarHBondContact O-CB 3.33Å; F129-E141 VanDerWaalsContact O-CG 3.23Å; F129-E141 WeakPolarHBondContact O-CG 3.41Å; F129-A145 HydrophobicContact CB-CB 4.34Å; F129-A145 HydrophobicContact CD1-CB 3.82Å; F129-A145 HydrophobicContact CD2-CB 3.74Å; F129-A145 VanDerWaalsContact CE1-CA 3.49Å; F129-A145 HydrophobicContact CE1-CB 4.03Å; F129-A145 HydrophobicContact CE2-CB 3.92Å; F129-A145 HydrophobicContact CG-CB 3.69Å; F129-A145 HydrophobicContact CZ-CB 4.08Å; F129-A148 HydrophobicContact CE1-CB 3.76Å; F129-A148 HydrophobicContact CZ-CB 3.66Å; F129-F164 HydrophobicContact CE2-CE1 4.06Å; F129-F164 AromaticContact CE2-CZ 3.84Å; F129-F164 HydrophobicContact CE2-CZ 3.84Å; F129-F164 HydrophobicContact CZ-CE1 4.47Å; F129-F164 AromaticContact CZ-CZ 3.87Å; F129-F164 HydrophobicContact CZ-CZ 3.87Å; F129-L168 HydrophobicContact CZ-CD1 4.37Å; F129-L168 HydrophobicContact CZ-CD2 3.87Å; F129-F207 HydrophobicContact CD2-CE1 4.23Å; F129-F207 AromaticContact CD2-CZ 3.68Å; F129-F207 HydrophobicContact CD2-CZ 3.68Å; F129-F207 AromaticContact CE2-CZ 3.98Å; F129-F207 HydrophobicContact CE2-CZ 3.98Å
130D83.6Confident79.1Confident7 Ų756.3 Ų56.34%0.03729%0.294CS..  trans-70.275.7169.5178.514.6000109.6F126 D132 N133 S134 G135 E141F126-D130 HydrophobicContact CD1-CB 4.13Å; F126-D130 HydrophobicContact CE1-CB 3.88Å; F126-D130 PolarHBondContact O-N 3.28Å; D130-D132 VanDerWaalsContact C-N 3.3Å; D130-D132 PolarHBondContact O-N 3.37Å; D130-D132 VanDerWaalsContact OD1-OD1 3.05Å; D130-N133 PolarHBondContact O-N 3.14Å; D130-N133 VanDerWaalsContact OD1-CA 3.23Å; D130-N133 WeakPolarHBondContact OD1-CA 3.28Å; D130-N133 PolarHBondContact OD1-N 3.01Å; D130-S134 PolarHBondContact OD1-N 3.43Å; D130-S134 PolarHBondContact OD1-OG 3.44Å; D130-G135 VanDerWaalsContact OD2-CA 3.23Å; D130-G135 WeakPolarHBondContact OD2-CA 3.5Å; D130-G135 PolarHBondContact OD2-N 2.99Å; D130-E141 WeakPolarHBondContact CA-OE1 3.23Å
131R82.8Confident80.2Confident166 Ų16654.5 Ų54.563%0.62628%0.283SS*.THydrogen-bonded Turntrans-72.1-27.6-171.2-72.8-176.1-177.9162.56111.9F129 E141 N144F129-R131 PolarHBondContact O-N 3.43Å; R131-E141 PolarHBondContact N-OE1 2.94Å; R131-N144 PolarHBondContact NH1-ND2 3.33Å
132D85Confident81.3Confident101 Ų10153 Ų5354%0.5428%0.275SS..THydrogen-bonded Turntrans-89.9-5177.474.3-3.4000113.3D130 S134D130-D132 VanDerWaalsContact C-N 3.3Å; D130-D132 PolarHBondContact O-N 3.37Å; D130-D132 VanDerWaalsContact OD1-OD1 3.05Å; D132-S134 PolarHBondContact O-N 3.27Å; D132-S134 WeakPolarHBondContact OD1-CB 3.49Å; D132-S134 PolarHBondContact OD1-N 3.15Å; D132-S134 PolarHBondContact OD1-OG 3.49Å
133N83.4Confident82.2Confident124 Ų12453.7 Ų53.766%0.66328%0.282SS*.  trans58.432.8-175.7-54.6-82.7000112.8D130 G135D130-N133 PolarHBondContact O-N 3.14Å; D130-N133 VanDerWaalsContact OD1-CA 3.23Å; D130-N133 WeakPolarHBondContact OD1-CA 3.28Å; D130-N133 PolarHBondContact OD1-N 3.01Å; N133-G135 PolarHBondContact O-N 3.21Å
134S84.4Confident83Confident62 Ų6254.8 Ų54.843%0.43429%0.287SS..  trans-67.6-16.4175.5660000112.8D130 D132 S136D130-S134 PolarHBondContact OD1-N 3.43Å; D130-S134 PolarHBondContact OD1-OG 3.44Å; D132-S134 PolarHBondContact O-N 3.27Å; D132-S134 WeakPolarHBondContact OD1-CB 3.49Å; D132-S134 PolarHBondContact OD1-N 3.15Å; D132-S134 PolarHBondContact OD1-OG 3.49Å; S134-S136 VanDerWaalsContact C-N 3.26Å; S134-S136 PolarHBondContact OG-N 2.88Å; S134-S136 PolarHBondContact OG-O 2.79Å; S134-S136 PolarHBondContact OG-OG 3Å
135G82.3Confident83.7Confident41 Ų4152.9 Ų52.942%0.42327%0.273SS..SBendtrans79.610-17000000112.8D130 N133D130-G135 VanDerWaalsContact OD2-CA 3.23Å; D130-G135 WeakPolarHBondContact OD2-CA 3.5Å; D130-G135 PolarHBondContact OD2-N 2.99Å; N133-G135 PolarHBondContact O-N 3.21Å
136S85.9Confident84.4Confident20 Ų2052.9 Ų52.914%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-142.3157.4-179.468.20000110.6S134 N201S134-S136 VanDerWaalsContact C-N 3.26Å; S134-S136 PolarHBondContact OG-N 2.88Å; S134-S136 PolarHBondContact OG-O 2.79Å; S134-S136 PolarHBondContact OG-OG 3Å; S136-N201 WeakPolarHBondContact OG-CB 3.17Å
137I85.8Confident84.6Confident0 Ų053.8 Ų53.80%028%0.278CS..EExtended strand (participates in β ladder)trans-106.4115.3178.6-74.1175000109.2F126 F129 E141 L142 N201 V202 F207F126-I137 HydrophobicContact CD2-CD1 3.45Å; F126-I137 VanDerWaalsContact CD2-CD1 3.45Å; F126-I137 HydrophobicContact CD2-CG1 4.07Å; F126-I137 HydrophobicContact CE2-CB 4.44Å; F126-I137 HydrophobicContact CE2-CD1 3.36Å; F126-I137 HydrophobicContact CE2-CG1 3.53Å; F126-I137 HydrophobicContact CG-CD1 4.31Å; F126-I137 HydrophobicContact CZ-CD1 4.16Å; F126-I137 HydrophobicContact CZ-CG1 3.85Å; F129-I137 HydrophobicContact CB-CD1 4.04Å; F129-I137 HydrophobicContact CB-CG1 4.48Å; I137-E141 WeakPolarHBondContact CA-OE2 3.48Å; I137-E141 HydrophobicContact CB-CB 4.43Å; I137-E141 HydrophobicContact CG2-CB 3.75Å; I137-L142 HydrophobicContact CG2-CB 3.79Å; I137-L142 HydrophobicContact CG2-CD1 4.37Å; I137-L142 VanDerWaalsContact CG2-N 3.29Å; I137-N201 CarbonylContact O-C 3.2Å; I137-N201 WeakPolarHBondContact O-CA 3.39Å; I137-V202 HydrophobicContact CB-CB 4.35Å; I137-V202 PolarHBondContact N-O 2.75Å; I137-V202 PolarHBondContact O-N 3.41Å; I137-F207 HydrophobicContact CD1-CB 4.18Å; I137-F207 HydrophobicContact CD1-CD1 4.03Å; I137-F207 HydrophobicContact CD1-CD2 3.35Å; I137-F207 HydrophobicContact CD1-CE1 4.23Å; I137-F207 HydrophobicContact CD1-CE2 3.6Å; I137-F207 HydrophobicContact CD1-CG 3.57Å; I137-F207 HydrophobicContact CD1-CZ 4.03Å
138D89.6Confident84.4Confident45 Ų4547 Ų4724%0.24126%0.255CS..  trans-76178.9175.584.215.9000112.6N140 E141 L142 N201D138-N140 VanDerWaalsContact C-N 3.32Å; D138-N140 PolarHBondContact O-N 2.95Å; D138-N140 VanDerWaalsContact OD1-CA 3.29Å; D138-N140 WeakPolarHBondContact OD1-CA 3.31Å; D138-N140 VanDerWaalsContact OD1-CB 3.31Å; D138-N140 WeakPolarHBondContact OD1-CB 3.42Å; D138-N140 PolarHBondContact OD1-N 2.64Å; D138-E141 PolarHBondContact N-OE2 3.29Å; D138-E141 PolarHBondContact O-N 2.76Å; D138-E141 WeakPolarHBondContact OD1-CG 3.49Å; D138-E141 PolarHBondContact OD1-N 3.06Å; D138-L142 WeakPolarHBondContact O-CB 3.43Å; D138-L142 PolarHBondContact O-N 3.18Å; D138-N201 WeakPolarHBondContact CA-OD1 3.29Å; D138-N201 WeakPolarHBondContact CB-OD1 3.46Å
139K88.5Confident84.1Confident73 Ų7342.4 Ų42.432%0.31723%0.23SC..Hα-helixtrans-57.7-39.5178.5-172.8174.9-175.8176.60113.7A143 E188 L191K139-A143 PolarHBondContact O-N 3.05Å; K139-E188 IonicContact NZ-OE1 3.52Å; K139-E188 PolarHBondContact NZ-OE1 3.35Å; K139-L191 HydrophobicContact CB-CD1 3.72Å; K139-L191 HydrophobicContact CD-CD1 4.21Å; K139-L191 HydrophobicContact CG-CD1 3.77Å
140N88.4Confident83.4Confident110 Ų11041.8 Ų41.859%0.58823%0.228SC*.Hα-helixtrans-74.9-42-178.3-60.4-53.1000111.1D138 L142 A143 N144D138-N140 VanDerWaalsContact C-N 3.32Å; D138-N140 PolarHBondContact O-N 2.95Å; D138-N140 VanDerWaalsContact OD1-CA 3.29Å; D138-N140 WeakPolarHBondContact OD1-CA 3.31Å; D138-N140 VanDerWaalsContact OD1-CB 3.31Å; D138-N140 WeakPolarHBondContact OD1-CB 3.42Å; D138-N140 PolarHBondContact OD1-N 2.64Å; N140-L142 VanDerWaalsContact C-N 3.32Å; N140-A143 PolarHBondContact O-N 3.19Å; N140-N144 PolarHBondContact O-N 2.9Å; N140-N144 PolarHBondContact O-ND2 2.87Å
141E90.3Very high82.5Confident9 Ų945.4 Ų45.44%0.04224%0.241CC..Hα-helixtrans-63.3-41.4174.6-66.3177.5141.800110.5F129 D130 R131 I137 D138 A143 N144 A145F129-E141 WeakPolarHBondContact O-CB 3.33Å; F129-E141 VanDerWaalsContact O-CG 3.23Å; F129-E141 WeakPolarHBondContact O-CG 3.41Å; D130-E141 WeakPolarHBondContact CA-OE1 3.23Å; R131-E141 PolarHBondContact N-OE1 2.94Å; I137-E141 WeakPolarHBondContact CA-OE2 3.48Å; I137-E141 HydrophobicContact CB-CB 4.43Å; I137-E141 HydrophobicContact CG2-CB 3.75Å; D138-E141 PolarHBondContact N-OE2 3.29Å; D138-E141 PolarHBondContact O-N 2.76Å; D138-E141 WeakPolarHBondContact OD1-CG 3.49Å; D138-E141 PolarHBondContact OD1-N 3.06Å; E141-A143 PolarHBondContact O-N 3.31Å; E141-N144 WeakPolarHBondContact O-CB 3Å; E141-N144 PolarHBondContact O-N 2.73Å; E141-A145 WeakPolarHBondContact O-CB 3.41Å; E141-A145 PolarHBondContact O-N 2.76Å
142L89.4Confident81.3Confident0 Ų038.1 Ų38.10%021%0.214CC..Hα-helixtrans-61-45.6173.7-176.362.2000111.5I137 D138 N140 N144 A145 M146 Y187 L190 L191 V202 L210I137-L142 HydrophobicContact CG2-CB 3.79Å; I137-L142 HydrophobicContact CG2-CD1 4.37Å; I137-L142 VanDerWaalsContact CG2-N 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.43Å; D138-L142 PolarHBondContact O-N 3.18Å; N140-L142 VanDerWaalsContact C-N 3.32Å; L142-N144 VanDerWaalsContact C-N 3.3Å; L142-N144 PolarHBondContact O-N 3Å; L142-A145 WeakPolarHBondContact O-CB 3.44Å; L142-A145 PolarHBondContact O-N 3.43Å; L142-A145 VanDerWaalsContact O-N 3.16Å; L142-M146 HydrophobicContact CD1-CE 4.01Å; L142-M146 HydrophobicContact CD1-CG 4.34Å; L142-M146 HydrophobicContact CG-CG 4.45Å; L142-M146 VanDerWaalsContact O-CG 3.32Å; L142-M146 WeakPolarHBondContact O-CG 3.48Å; L142-M146 PolarHBondContact O-N 2.92Å; L142-Y187 HydrophobicContact CG-CD1 4.47Å; L142-L190 HydrophobicContact CD2-CB 4.18Å; L142-L191 HydrophobicContact CD2-CD2 3.78Å; L142-L191 HydrophobicContact CD2-CG 3.83Å; L142-V202 HydrophobicContact CD2-CG2 4.44Å; L142-L210 HydrophobicContact CD1-CD2 3.5Å
143A86.9Confident80.1Confident22 Ų2233.9 Ų33.918%0.18219%0.192CC..Hα-helixtrans-59.6-42.6176.800000111.8K139 N140 E141 M146 I147 Y187K139-A143 PolarHBondContact O-N 3.05Å; N140-A143 PolarHBondContact O-N 3.19Å; E141-A143 PolarHBondContact O-N 3.31Å; A143-M146 PolarHBondContact O-N 2.86Å; A143-I147 WeakPolarHBondContact O-CD1 3.24Å; A143-I147 VanDerWaalsContact O-CG1 3.25Å; A143-I147 WeakPolarHBondContact O-CG1 3.37Å; A143-I147 PolarHBondContact O-N 2.94Å; A143-Y187 HydrophobicContact CB-CD1 4.41Å; A143-Y187 HydrophobicContact CB-CD2 4.43Å; A143-Y187 HydrophobicContact CB-CE1 4.01Å; A143-Y187 HydrophobicContact CB-CE2 4.02Å
144N84.6Confident79Confident54 Ų5432.4 Ų32.429%0.28918%0.183SC..Hα-helixtrans-62.8-42.6174.2-70.9-53.6000112R131 N140 E141 L142 I147 A148R131-N144 PolarHBondContact NH1-ND2 3.33Å; N140-N144 PolarHBondContact O-N 2.9Å; N140-N144 PolarHBondContact O-ND2 2.87Å; E141-N144 WeakPolarHBondContact O-CB 3Å; E141-N144 PolarHBondContact O-N 2.73Å; L142-N144 VanDerWaalsContact C-N 3.3Å; L142-N144 PolarHBondContact O-N 3Å; N144-I147 PolarHBondContact O-N 2.99Å; N144-A148 PolarHBondContact O-N 2.99Å
145A83.4Confident77.3Confident0 Ų031.8 Ų31.80%019%0.187CC..Hα-helixtrans-61.8-45.2177.900000112F129 E141 L142 A148 F149 F207F129-A145 HydrophobicContact CB-CB 4.34Å; F129-A145 HydrophobicContact CD1-CB 3.82Å; F129-A145 HydrophobicContact CD2-CB 3.74Å; F129-A145 VanDerWaalsContact CE1-CA 3.49Å; F129-A145 HydrophobicContact CE1-CB 4.03Å; F129-A145 HydrophobicContact CE2-CB 3.92Å; F129-A145 HydrophobicContact CG-CB 3.69Å; F129-A145 HydrophobicContact CZ-CB 4.08Å; E141-A145 WeakPolarHBondContact O-CB 3.41Å; E141-A145 PolarHBondContact O-N 2.76Å; L142-A145 WeakPolarHBondContact O-CB 3.44Å; L142-A145 PolarHBondContact O-N 3.43Å; L142-A145 VanDerWaalsContact O-N 3.16Å; A145-A148 WeakPolarHBondContact O-CB 3.33Å; A145-A148 PolarHBondContact O-N 2.92Å; A145-F149 VanDerWaalsContact O-CB 3.31Å; A145-F149 WeakPolarHBondContact O-CB 3.2Å; A145-F149 PolarHBondContact O-N 2.93Å; A145-F207 HydrophobicContact CB-CE2 3.64Å; A145-F207 HydrophobicContact CB-CZ 3.89Å
146M83.6Confident75.6Confident0 Ų035.8 Ų35.80%019%0.193CC..Hα-helixtrans-67.1-38.6178.5-64.2-55.898.200112.3L142 A143 A148 F149 G150 Y180 F182 Y187 L190 F207 L210 L214L142-M146 HydrophobicContact CD1-CE 4.01Å; L142-M146 HydrophobicContact CD1-CG 4.34Å; L142-M146 HydrophobicContact CG-CG 4.45Å; L142-M146 VanDerWaalsContact O-CG 3.32Å; L142-M146 WeakPolarHBondContact O-CG 3.48Å; L142-M146 PolarHBondContact O-N 2.92Å; A143-M146 PolarHBondContact O-N 2.86Å; M146-A148 VanDerWaalsContact C-N 3.31Å; M146-A148 PolarHBondContact O-N 3.23Å; M146-F149 PolarHBondContact O-N 3.43Å; M146-G150 PolarHBondContact O-N 2.92Å; M146-Y180 WeakPolarHBondContact O-CB 3.41Å; M146-Y180 WeakPolarHBondContact O-CD2 3.14Å; M146-F182 HydrophobicContact CB-CD2 4.11Å; M146-F182 HydrophobicContact CB-CE2 4.16Å; M146-F182 HydrophobicContact CG-CD2 4.24Å; M146-F182 HydrophobicContact CG-CE2 4.24Å; M146-F182 HydrophobicContact SD-CE2 4.36Å; M146-Y187 HydrophobicContact CB-CE1 3.83Å; M146-Y187 HydrophobicContact CG-CD1 4.42Å; M146-Y187 HydrophobicContact CG-CE1 3.77Å; M146-L190 HydrophobicContact CG-CD1 4.34Å; M146-L190 HydrophobicContact SD-CD1 4.35Å; M146-F207 HydrophobicContact CE-CE2 4.21Å; M146-L210 HydrophobicContact CE-CD2 4.08Å; M146-L210 HydrophobicContact CE-CG 4.45Å; M146-L210 HydrophobicContact SD-CD2 4.39Å; M146-L214 HydrophobicContact CE-CD1 4.1Å; M146-L214 HydrophobicContact SD-CD1 3.15Å; M146-L214 WeakPolarHBondContact SD-CD1 3.16Å
147I78.7Confident73.8Confident29 Ų2937.6 Ų37.615%0.14922%0.215CC..Hα-helixtrans-62.3-42.4173.8-70166.5000110.3A143 N144 R151 G179 Y180A143-I147 WeakPolarHBondContact O-CD1 3.24Å; A143-I147 VanDerWaalsContact O-CG1 3.25Å; A143-I147 WeakPolarHBondContact O-CG1 3.37Å; A143-I147 PolarHBondContact O-N 2.94Å; N144-I147 PolarHBondContact O-N 2.99Å; I147-R151 WeakPolarHBondContact O-CG 3.39Å; I147-R151 PolarHBondContact O-N 3.46Å; I147-G179 WeakPolarHBondContact O-CA 3.48Å; I147-Y180 VanDerWaalsContact CG1-O 3.28Å; I147-Y180 WeakPolarHBondContact CG1-O 3.16Å
148A74.4Confident72Confident12 Ų1239.7 Ų39.710%0.09923%0.225CC..Hα-helixtrans-64-44.717500000111.3F129 N144 A145 M146 G150 R151 L152 L168F129-A148 HydrophobicContact CE1-CB 3.76Å; F129-A148 HydrophobicContact CZ-CB 3.66Å; N144-A148 PolarHBondContact O-N 2.99Å; A145-A148 WeakPolarHBondContact O-CB 3.33Å; A145-A148 PolarHBondContact O-N 2.92Å; M146-A148 VanDerWaalsContact C-N 3.31Å; M146-A148 PolarHBondContact O-N 3.23Å; A148-G150 PolarHBondContact O-N 3.45Å; A148-R151 WeakPolarHBondContact O-CB 3.09Å; A148-R151 PolarHBondContact O-N 3.45Å; A148-L152 WeakPolarHBondContact O-CD1 3.32Å; A148-L152 PolarHBondContact O-N 3.48Å; A148-L168 HydrophobicContact CB-CD2 4.21Å
149F72.8Confident70.1Confident3 Ų340.5 Ų40.51%0.01323%0.233CC..Hα-helixtrans-57.6-46177.9-160.8-102.6000112.8A145 M146 R151 L152 L153 F164 Y180 C211 L214 Q215A145-F149 VanDerWaalsContact O-CB 3.31Å; A145-F149 WeakPolarHBondContact O-CB 3.2Å; A145-F149 PolarHBondContact O-N 2.93Å; M146-F149 PolarHBondContact O-N 3.43Å; F149-R151 PolarHBondContact O-N 2.8Å; F149-L152 WeakPolarHBondContact O-CB 3.28Å; F149-L152 PolarHBondContact O-N 3.29Å; F149-L152 VanDerWaalsContact O-N 3.17Å; F149-L153 HydrophobicContact CD1-CD1 3.93Å; F149-L153 HydrophobicContact CE1-CD1 3.45Å; F149-L153 VanDerWaalsContact CE1-CD1 3.45Å; F149-L153 HydrophobicContact CE1-CG 4.33Å; F149-L153 HydrophobicContact CZ-CD1 4.11Å; F149-L153 PolarHBondContact O-N 2.82Å; F149-L153 VanDerWaalsContact O-N 3.15Å; F149-F164 VanDerWaalsContact CA-CE2 3.41Å; F149-F164 HydrophobicContact CB-CE2 3.96Å; F149-F164 HydrophobicContact CB-CZ 4.3Å; F149-F164 AromaticContact CD2-CD2 3.77Å; F149-F164 HydrophobicContact CD2-CD2 3.77Å; F149-F164 HydrophobicContact CD2-CE1 4.25Å; F149-F164 AromaticContact CD2-CE2 3.56Å; F149-F164 HydrophobicContact CD2-CE2 3.56Å; F149-F164 HydrophobicContact CD2-CG 4.4Å; F149-F164 AromaticContact CD2-CZ 3.79Å; F149-F164 HydrophobicContact CD2-CZ 3.79Å; F149-F164 HydrophobicContact CE2-CD2 4.34Å; F149-F164 HydrophobicContact CG-CE2 4.2Å; F149-Y180 HydrophobicContact CD1-CD2 4.2Å; F149-Y180 AromaticContact CD1-CE2 3.8Å; F149-Y180 HydrophobicContact CD1-CE2 3.8Å; F149-Y180 HydrophobicContact CE1-CE2 4.49Å; F149-C211 HydrophobicContact CE2-CB 4.01Å; F149-C211 HydrophobicContact CZ-CB 4.4Å; F149-C211 VanDerWaalsContact CZ-O 3.23Å; F149-C211 WeakPolarHBondContact CZ-O 3.42Å; F149-L214 HydrophobicContact CD1-CB 4.38Å; F149-L214 HydrophobicContact CE1-CB 3.81Å; F149-Q215 HydrophobicContact CZ-CB 4.03Å
150G67.8Low68.4Low0 Ų040.7 Ų40.70%024%0.238CC..Hα-helixtrans-67.5-34.7178.600000113.9M146 A148 L152 L153 D154M146-G150 PolarHBondContact O-N 2.92Å; A148-G150 PolarHBondContact O-N 3.45Å; G150-L152 PolarHBondContact O-N 3.44Å; G150-L153 PolarHBondContact O-N 3.1Å; G150-D154 VanDerWaalsContact O-CB 3.3Å; G150-D154 WeakPolarHBondContact O-CB 3.23Å; G150-D154 VanDerWaalsContact O-CG 3.3Å; G150-D154 PolarHBondContact O-N 2.89Å
151R65.1Low66.6Low83 Ų8336 Ų3631%0.31321%0.212SC..Hα-helixtrans-57.4-37.3173.8-71.1166.4-164.8-156.35.7111.7I147 A148 F149 G155 F176 R178I147-R151 WeakPolarHBondContact O-CG 3.39Å; I147-R151 PolarHBondContact O-N 3.46Å; A148-R151 WeakPolarHBondContact O-CB 3.09Å; A148-R151 PolarHBondContact O-N 3.45Å; F149-R151 PolarHBondContact O-N 2.8Å; R151-G155 PolarHBondContact O-N 3.2Å; R151-F176 PolarHBondContact NH2-O 3.33Å; R151-R178 WeakPolarHBondContact CG-O 3.5Å
152L57.9Low64.8Low13 Ų1337.1 Ų37.17%0.06823%0.227CC..Hα-helixtrans-76.3-37.9-175.1-88.7143.9000112.3A148 F149 G150 L163 F164 V167 L168A148-L152 WeakPolarHBondContact O-CD1 3.32Å; A148-L152 PolarHBondContact O-N 3.48Å; F149-L152 WeakPolarHBondContact O-CB 3.28Å; F149-L152 PolarHBondContact O-N 3.29Å; F149-L152 VanDerWaalsContact O-N 3.17Å; G150-L152 PolarHBondContact O-N 3.44Å; L152-L163 VanDerWaalsContact CD2-O 3.31Å; L152-L163 WeakPolarHBondContact CD2-O 3.4Å; L152-F164 HydrophobicContact CB-CD2 3.77Å; L152-F164 HydrophobicContact CB-CE2 4.38Å; L152-F164 HydrophobicContact CD1-CB 4.37Å; L152-F164 HydrophobicContact CD1-CD2 3.07Å; L152-F164 HydrophobicContact CD1-CE2 3.34Å; L152-F164 HydrophobicContact CD1-CG 3.97Å; L152-F164 WeakPolarHBondContact CD1-O 3.46Å; L152-F164 HydrophobicContact CG-CD2 3.84Å; L152-F164 HydrophobicContact CG-CE2 4.39Å; L152-V167 HydrophobicContact CD1-CB 4.22Å; L152-V167 HydrophobicContact CD2-CB 3.46Å; L152-V167 VanDerWaalsContact CD2-CB 3.46Å; L152-V167 HydrophobicContact CD2-CG1 4.29Å; L152-V167 HydrophobicContact CD2-CG2 3.47Å; L152-V167 VanDerWaalsContact CD2-CG2 3.47Å; L152-V167 HydrophobicContact CG-CB 4.07Å; L152-L168 HydrophobicContact CD1-CD2 4.14Å
153L59.7Low62.8Low12 Ų1238.9 Ų38.96%0.06324%0.236CC..Hα-helixtrans-71.7-49.5172-64.6-179.2000110.5F149 G150 G155 G157 Y180 T218 R222F149-L153 HydrophobicContact CD1-CD1 3.93Å; F149-L153 HydrophobicContact CE1-CD1 3.45Å; F149-L153 VanDerWaalsContact CE1-CD1 3.45Å; F149-L153 HydrophobicContact CE1-CG 4.33Å; F149-L153 HydrophobicContact CZ-CD1 4.11Å; F149-L153 PolarHBondContact O-N 2.82Å; F149-L153 VanDerWaalsContact O-N 3.15Å; G150-L153 PolarHBondContact O-N 3.1Å; L153-G155 PolarHBondContact O-N 3.25Å; L153-G157 PolarHBondContact O-N 3.46Å; L153-Y180 HydrophobicContact CD1-CE2 4.04Å; L153-Y180 WeakPolarHBondContact CD1-OH 3.31Å; L153-T218 HydrophobicContact CB-CG2 4.43Å; L153-T218 HydrophobicContact CD1-CG2 3.77Å; L153-R222 VanDerWaalsContact C-NH1 3.3Å; L153-R222 VanDerWaalsContact O-CZ 3.25Å; L153-R222 PolarHBondContact O-NH1 3.31Å; L153-R222 PolarHBondContact O-NH2 2.94Å
154D59.3Low61.2Low92 Ų9238.1 Ų38.149%0.49223%0.229SC..Hα-helixtrans-69.1-30.3-173.7-69.3-18000113.6G150 F156 R222G150-D154 VanDerWaalsContact O-CB 3.3Å; G150-D154 WeakPolarHBondContact O-CB 3.23Å; G150-D154 VanDerWaalsContact O-CG 3.3Å; G150-D154 PolarHBondContact O-N 2.89Å; D154-F156 VanDerWaalsContact C-N 3.34Å; D154-F156 PolarHBondContact O-N 3.17Å; D154-R222 IonicContact OD1-CZ 3.95Å; D154-R222 IonicContact OD1-NH2 2.72Å; D154-R222 PolarHBondContact OD1-NH2 3.24Å
155G49.1Very low59.5Low49 Ų4937.9 Ų37.951%0.50523%0.227SC..Hα-helixtrans-73.8-22.4-173.600000114.7R151 L153R151-G155 PolarHBondContact O-N 3.2Å; L153-G155 PolarHBondContact O-N 3.25Å
156F47.3Very low57.9Low125 Ų12544.6 Ų44.655%0.54826%0.261SS..Hα-helixtrans-146.3-8.7-163.8-62.6-81.5000116.6D154 I158 L163D154-F156 VanDerWaalsContact C-N 3.34Å; D154-F156 PolarHBondContact O-N 3.17Å; F156-I158 HydrophobicContact CB-CB 4.12Å; F156-I158 HydrophobicContact CB-CD1 3.25Å; F156-I158 HydrophobicContact CB-CG1 3.5Å; F156-I158 VanDerWaalsContact CB-CG1 3.5Å; F156-I158 HydrophobicContact CD1-CD1 4.26Å; F156-I158 HydrophobicContact CG-CD1 3.86Å; F156-I158 WeakPolarHBondContact O-CG1 3.41Å; F156-I158 PolarHBondContact O-N 2.99Å; F156-L163 HydrophobicContact CD2-CD2 4.26Å; F156-L163 HydrophobicContact CG-CD2 4.37Å
157G47.5Very low56.2Low58 Ų5847.8 Ų47.860%0.59828%0.281SS*.  trans62.625.2-173.600000112.8L153 P159L153-G157 PolarHBondContact O-N 3.46Å; G157-P159 WeakPolarHBondContact O-CD 3.01Å
158I48.4Very low54.8Low44 Ų4447.2 Ų47.223%0.22628%0.278CS..  trans-94.2119.6-170.5-70.2171.5000110F156 D160 L163F156-I158 HydrophobicContact CB-CB 4.12Å; F156-I158 HydrophobicContact CB-CD1 3.25Å; F156-I158 HydrophobicContact CB-CG1 3.5Å; F156-I158 VanDerWaalsContact CB-CG1 3.5Å; F156-I158 HydrophobicContact CD1-CD1 4.26Å; F156-I158 HydrophobicContact CG-CD1 3.86Å; F156-I158 WeakPolarHBondContact O-CG1 3.41Å; F156-I158 PolarHBondContact O-N 2.99Å; I158-D160 HydrophobicContact CG2-CB 3.82Å; I158-D160 PolarHBondContact O-N 3.41Å; I158-L163 HydrophobicContact CD1-CD1 4Å; I158-L163 HydrophobicContact CD1-CD2 3.31Å; I158-L163 HydrophobicContact CD1-CG 4.11Å; I158-L163 HydrophobicContact CG2-CB 4.08Å
159P49.9Very low53.7Low62 Ų6251.4 Ų51.440%0.40330%0.304SS..  trans-81.53.8174.732.5-33.9000113.1G157 Q215G157-P159 WeakPolarHBondContact O-CD 3.01Å; P159-Q215 PolarHBondContact O-NE2 3.48Å
160D52.4Low52.4Low77 Ų7763 Ų6341%0.41235%0.348SS..  trans-99.3131.2-175-174.513.9000113.1I158 G162I158-D160 HydrophobicContact CG2-CB 3.82Å; I158-D160 PolarHBondContact O-N 3.41Å; D160-G162 VanDerWaalsContact C-N 3.28Å; D160-G162 PolarHBondContact OD1-N 2.88Å
161L50.1Low51.2Low11 Ų1168.7 Ų68.76%0.05839%0.388CS..Hα-helixtrans-69.1-24.9173.7-67.1166.9000112.4Y118 W122 L163 F164 M165Y118-L161 HydrophobicContact CE2-CD1 3.79Å; Y118-L161 WeakPolarHBondContact OH-CD1 3.27Å; W122-L161 HydrophobicContact CH2-CD2 3.66Å; W122-L161 HydrophobicContact CZ2-CB 4.3Å; W122-L161 HydrophobicContact CZ2-CD1 3.49Å; W122-L161 VanDerWaalsContact CZ2-CD1 3.49Å; W122-L161 HydrophobicContact CZ2-CD2 3.27Å; W122-L161 HydrophobicContact CZ2-CG 3.83Å; L161-L163 PolarHBondContact O-N 2.95Å; L161-F164 WeakPolarHBondContact O-CA 3.18Å; L161-F164 WeakPolarHBondContact O-CB 3.09Å; L161-F164 PolarHBondContact O-N 3.02Å; L161-M165 PolarHBondContact O-N 2.91Å
162G51.7Low50Low34 Ų3468.3 Ų68.335%0.35141%0.41SS..Hα-helixtrans-58.2-31.1176.300000112.8D160D160-G162 VanDerWaalsContact C-N 3.28Å; D160-G162 PolarHBondContact OD1-N 2.88Å
163L48.9Very low48.9Very low36 Ų3672 Ų7219%0.18845%0.45CS..Hα-helixtrans-80.6-28.4173.8-125.798.2000113.1L152 F156 I158 L161 M165 L166 V167L152-L163 VanDerWaalsContact CD2-O 3.31Å; L152-L163 WeakPolarHBondContact CD2-O 3.4Å; F156-L163 HydrophobicContact CD2-CD2 4.26Å; F156-L163 HydrophobicContact CG-CD2 4.37Å; I158-L163 HydrophobicContact CD1-CD1 4Å; I158-L163 HydrophobicContact CD1-CD2 3.31Å; I158-L163 HydrophobicContact CD1-CG 4.11Å; I158-L163 HydrophobicContact CG2-CB 4.08Å; L161-L163 PolarHBondContact O-N 2.95Å; L163-M165 PolarHBondContact O-N 3.21Å; L163-L166 PolarHBondContact O-N 3.46Å; L163-V167 HydrophobicContact CD2-CG2 4.28Å; L163-V167 PolarHBondContact O-N 3.47Å
164F52.5Low48.2Very low7 Ų774 Ų743%0.03147%0.474CS..Hα-helixtrans-52-46176.8-174.5-114.5000110.3W122 T125 F129 F149 L152 L161 L166 L168W122-F164 HydrophobicContact CH2-CD1 4.46Å; W122-F164 HydrophobicContact CZ3-CD1 4.35Å; W122-F164 HydrophobicContact CZ3-CE1 4.29Å; T125-F164 HydrophobicContact CG2-CD1 3.91Å; T125-F164 HydrophobicContact CG2-CE1 3.37Å; T125-F164 HydrophobicContact CG2-CZ 4.41Å; F129-F164 HydrophobicContact CE2-CE1 4.06Å; F129-F164 AromaticContact CE2-CZ 3.84Å; F129-F164 HydrophobicContact CE2-CZ 3.84Å; F129-F164 HydrophobicContact CZ-CE1 4.47Å; F129-F164 AromaticContact CZ-CZ 3.87Å; F129-F164 HydrophobicContact CZ-CZ 3.87Å; F149-F164 VanDerWaalsContact CA-CE2 3.41Å; F149-F164 HydrophobicContact CB-CE2 3.96Å; F149-F164 HydrophobicContact CB-CZ 4.3Å; F149-F164 AromaticContact CD2-CD2 3.77Å; F149-F164 HydrophobicContact CD2-CD2 3.77Å; F149-F164 HydrophobicContact CD2-CE1 4.25Å; F149-F164 AromaticContact CD2-CE2 3.56Å; F149-F164 HydrophobicContact CD2-CE2 3.56Å; F149-F164 HydrophobicContact CD2-CG 4.4Å; F149-F164 AromaticContact CD2-CZ 3.79Å; F149-F164 HydrophobicContact CD2-CZ 3.79Å; F149-F164 HydrophobicContact CE2-CD2 4.34Å; F149-F164 HydrophobicContact CG-CE2 4.2Å; L152-F164 HydrophobicContact CB-CD2 3.77Å; L152-F164 HydrophobicContact CB-CE2 4.38Å; L152-F164 HydrophobicContact CD1-CB 4.37Å; L152-F164 HydrophobicContact CD1-CD2 3.07Å; L152-F164 HydrophobicContact CD1-CE2 3.34Å; L152-F164 HydrophobicContact CD1-CG 3.97Å; L152-F164 WeakPolarHBondContact CD1-O 3.46Å; L152-F164 HydrophobicContact CG-CD2 3.84Å; L152-F164 HydrophobicContact CG-CE2 4.39Å; L161-F164 WeakPolarHBondContact O-CA 3.18Å; L161-F164 WeakPolarHBondContact O-CB 3.09Å; L161-F164 PolarHBondContact O-N 3.02Å; F164-L166 PolarHBondContact O-N 3.25Å; F164-L168 HydrophobicContact CE1-CD2 4.42Å; F164-L168 HydrophobicContact CE2-CD2 4.12Å; F164-L168 HydrophobicContact CZ-CD2 4Å; F164-L168 WeakPolarHBondContact O-CG 3.23Å
165M49.4Very low47.2Very low49 Ų4977.9 Ų77.924%0.24150%0.495CS..Hα-helixtrans-58.8-41.3175.6-74.8-79.7-65.400114.7D121 T125 L161 L163D121-M165 HydrophobicContact CB-CE 3.42Å; D121-M165 VanDerWaalsContact CB-CE 3.42Å; D121-M165 HydrophobicContact CB-CG 4.05Å; D121-M165 HydrophobicContact CB-SD 3.74Å; D121-M165 VanDerWaalsContact OD1-CE 3.31Å; D121-M165 WeakPolarHBondContact OD1-CE 3.23Å; T125-M165 PolarHBondContact OG1-SD 2.93Å; L161-M165 PolarHBondContact O-N 2.91Å; L163-M165 PolarHBondContact O-N 3.21Å
166L49.7Very low47.1Very low140 Ų14082 Ų8273%0.73350%0.499SS*.Hα-helixtrans-75.6-28.4-172.3-73.4172.5000113.3L163 F164L163-L166 PolarHBondContact O-N 3.46Å; F164-L166 PolarHBondContact O-N 3.25Å
167V47.6Very low47.2Very low67 Ų6784.3 Ų84.341%0.40651%0.509SS..Hα-helixtrans-99.20.5-175.3-163.90000112L152 L163 P169L152-V167 HydrophobicContact CD1-CB 4.22Å; L152-V167 HydrophobicContact CD2-CB 3.46Å; L152-V167 VanDerWaalsContact CD2-CB 3.46Å; L152-V167 HydrophobicContact CD2-CG1 4.29Å; L152-V167 HydrophobicContact CD2-CG2 3.47Å; L152-V167 VanDerWaalsContact CD2-CG2 3.47Å; L152-V167 HydrophobicContact CG-CB 4.07Å; L163-V167 HydrophobicContact CD2-CG2 4.28Å; L163-V167 PolarHBondContact O-N 3.47Å; V167-P169 WeakPolarHBondContact O-CD 3.23Å; V167-P169 VanDerWaalsContact O-N 3.17Å
168L50.1Low47.6Very low17 Ų1791.6 Ų91.69%0.08952%0.518CS..SBendtrans-61.1121.4169.9-65.7-166.9000109.3T125 N128 F129 A148 L152 F164 R170T125-L168 HydrophobicContact CG2-CD1 4.23Å; N128-L168 HydrophobicContact CB-CD1 4.21Å; F129-L168 HydrophobicContact CZ-CD1 4.37Å; F129-L168 HydrophobicContact CZ-CD2 3.87Å; A148-L168 HydrophobicContact CB-CD2 4.21Å; L152-L168 HydrophobicContact CD1-CD2 4.14Å; F164-L168 HydrophobicContact CE1-CD2 4.42Å; F164-L168 HydrophobicContact CE2-CD2 4.12Å; F164-L168 HydrophobicContact CZ-CD2 4Å; F164-L168 WeakPolarHBondContact O-CG 3.23Å; L168-R170 PolarHBondContact O-N 3.28Å
169P50.5Low48.2Very low100 Ų10090 Ų9065%0.64951%0.513SS*.  trans-65.1114.4-17923.2-29.9000109.3V167 S171V167-P169 WeakPolarHBondContact O-CD 3.23Å; V167-P169 VanDerWaalsContact O-N 3.17Å; P169-S171 PolarHBondContact O-N 3.09Å
170R45.9Very low49Very low246 Ų24688.8 Ų88.893%0.92850%0.501SS*.  trans-67.686.6166.4-67.4-177.884.898.1-1.1108.2L168L168-R170 PolarHBondContact O-N 3.28Å
171S42.2Very low49.8Very low121 Ų12192.2 Ų92.285%0.84651%0.508SS*.SBendtrans56.5104.6166.8-153.70000116.4P169P169-S171 PolarHBondContact O-N 3.09Å
172G40.1Very low51.2Low75 Ų7594.1 Ų94.177%0.77352%0.516SS*.  trans96.2125.3154.100000117.9
173G34.9Very low52.7Low89 Ų8995.2 Ų95.292%0.91852%0.518SS*.  trans95.794.2149.900000117.3
174G44.2Very low54.5Low54 Ų5497.1 Ų97.156%0.55753%0.533SS*.  trans161.7125.5159.400000114.5F176G174-F176 WeakPolarHBondContact O-CD2 3.5Å; G174-F176 PolarHBondContact O-N 2.89Å
175N39Very low56.2Low175 Ų175102.7 Ų102.794%0.93656%0.558SS**  trans-61.395.7173.7-76.1-43.9000111.6
176F46.5Very low58Low134 Ų134103.9 Ų103.959%0.58856%0.563SS**  trans-121.6111-178.8-87.4-95.8000112.4R151 G174R151-F176 PolarHBondContact NH2-O 3.33Å; G174-F176 WeakPolarHBondContact O-CD2 3.5Å; G174-F176 PolarHBondContact O-N 2.89Å
177K49.1Very low59.8Low174 Ų17498 Ų9876%0.75753%0.531SS*.  trans-97.3-3-176.6-80.6-167.8176.7-176.10116.4R181K177-R181 PolarHBondContact O-NE 2.79Å
178R55.9Low61.7Low211 Ų21198.6 Ų98.680%0.79653%0.529SS*.  trans-109.780.1-171.3-67.6-174.3178.2-171.7-1.9114.3R151R151-R178 WeakPolarHBondContact CG-O 3.5Å
179G62.3Low63.5Low11 Ų11101.7 Ų101.711%0.11355%0.549CS..SBendtrans-148.9-178166.900000109I147 R181I147-G179 WeakPolarHBondContact O-CA 3.48Å; G179-R181 PolarHBondContact O-N 2.75Å
180Y65Low65.4Low37 Ų3797.5 Ų97.515%0.14552%0.521CS..  trans-60.4105.9177.7-67.2-65000109.5M146 I147 F149 L153 F182 Y187 T218M146-Y180 WeakPolarHBondContact O-CB 3.41Å; M146-Y180 WeakPolarHBondContact O-CD2 3.14Å; I147-Y180 VanDerWaalsContact CG1-O 3.28Å; I147-Y180 WeakPolarHBondContact CG1-O 3.16Å; F149-Y180 HydrophobicContact CD1-CD2 4.2Å; F149-Y180 AromaticContact CD1-CE2 3.8Å; F149-Y180 HydrophobicContact CD1-CE2 3.8Å; F149-Y180 HydrophobicContact CE1-CE2 4.49Å; L153-Y180 HydrophobicContact CD1-CE2 4.04Å; L153-Y180 WeakPolarHBondContact CD1-OH 3.31Å; Y180-F182 AromaticContact CD1-CE1 3.83Å; Y180-F182 HydrophobicContact CD1-CE1 3.83Å; Y180-F182 HydrophobicContact CD1-CE2 4.25Å; Y180-F182 AromaticContact CD1-CZ 3.52Å; Y180-F182 HydrophobicContact CD1-CZ 3.52Å; Y180-F182 HydrophobicContact CD2-CE2 4.36Å; Y180-F182 HydrophobicContact CD2-CZ 4.26Å; Y180-F182 HydrophobicContact CE1-CZ 4.27Å; Y180-F182 HydrophobicContact CG-CE1 4.2Å; Y180-F182 AromaticContact CG-CE2 3.81Å; Y180-F182 HydrophobicContact CG-CE2 3.81Å; Y180-F182 AromaticContact CG-CZ 3.55Å; Y180-F182 HydrophobicContact CG-CZ 3.55Å; Y180-F182 PolarHBondContact O-N 3.49Å; Y180-Y187 PolarHBondContact O-OH 3.39Å; Y180-T218 WeakPolarHBondContact OH-CG2 3.4Å; Y180-T218 PolarHBondContact OH-OG1 2.83Å
181R69.9Low67.5Low148 Ų14886.7 Ų86.756%0.55848%0.481SS*.  trans-100.870.3171.8-72.5-179.5177.8-88.8-10.4107.3K177 G179K177-R181 PolarHBondContact O-NE 2.79Å; G179-R181 PolarHBondContact O-N 2.75Å
182F80.3Confident69.6Low52 Ų5290.8 Ų90.823%0.22848%0.478CS..  trans-64.1156174.1-62-53.3000110.4M146 Y180 F186 Y187 L190 L214M146-F182 HydrophobicContact CB-CD2 4.11Å; M146-F182 HydrophobicContact CB-CE2 4.16Å; M146-F182 HydrophobicContact CG-CD2 4.24Å; M146-F182 HydrophobicContact CG-CE2 4.24Å; M146-F182 HydrophobicContact SD-CE2 4.36Å; Y180-F182 AromaticContact CD1-CE1 3.83Å; Y180-F182 HydrophobicContact CD1-CE1 3.83Å; Y180-F182 HydrophobicContact CD1-CE2 4.25Å; Y180-F182 AromaticContact CD1-CZ 3.52Å; Y180-F182 HydrophobicContact CD1-CZ 3.52Å; Y180-F182 HydrophobicContact CD2-CE2 4.36Å; Y180-F182 HydrophobicContact CD2-CZ 4.26Å; Y180-F182 HydrophobicContact CE1-CZ 4.27Å; Y180-F182 HydrophobicContact CG-CE1 4.2Å; Y180-F182 AromaticContact CG-CE2 3.81Å; Y180-F182 HydrophobicContact CG-CE2 3.81Å; Y180-F182 AromaticContact CG-CZ 3.55Å; Y180-F182 HydrophobicContact CG-CZ 3.55Å; Y180-F182 PolarHBondContact O-N 3.49Å; F182-F186 HydrophobicContact CB-CB 4.06Å; F182-F186 HydrophobicContact CB-CD1 3.57Å; F182-F186 HydrophobicContact CB-CE1 4.45Å; F182-F186 HydrophobicContact CB-CG 4.19Å; F182-F186 AromaticContact CD1-CD1 3.61Å; F182-F186 HydrophobicContact CD1-CD1 3.61Å; F182-F186 AromaticContact CD1-CE1 3.73Å; F182-F186 HydrophobicContact CD1-CE1 3.73Å; F182-F186 HydrophobicContact CD1-CG 4.4Å; F182-F186 AromaticContact CD2-CD1 3.75Å; F182-F186 HydrophobicContact CD2-CD1 3.75Å; F182-F186 AromaticContact CD2-CE1 3.87Å; F182-F186 HydrophobicContact CD2-CE1 3.87Å; F182-F186 HydrophobicContact CE1-CD1 4.2Å; F182-F186 AromaticContact CE1-CE1 3.81Å; F182-F186 HydrophobicContact CE1-CE1 3.81Å; F182-F186 HydrophobicContact CE2-CD1 4.3Å; F182-F186 AromaticContact CE2-CE1 3.94Å; F182-F186 HydrophobicContact CE2-CE1 3.94Å; F182-F186 AromaticContact CG-CD1 3.37Å; F182-F186 HydrophobicContact CG-CD1 3.37Å; F182-F186 AromaticContact CG-CE1 3.77Å; F182-F186 HydrophobicContact CG-CE1 3.77Å; F182-F186 HydrophobicContact CG-CG 4.33Å; F182-F186 AromaticContact CZ-CE1 3.92Å; F182-F186 HydrophobicContact CZ-CE1 3.92Å; F182-Y187 HydrophobicContact CB-CD2 4.41Å; F182-Y187 HydrophobicContact CB-CE1 4.08Å; F182-Y187 HydrophobicContact CB-CE2 3.95Å; F182-Y187 AromaticContact CD2-CE1 3.98Å; F182-Y187 HydrophobicContact CD2-CE1 3.98Å; F182-Y187 WeakPolarHBondContact O-CE2 3.35Å; F182-L190 HydrophobicContact CD2-CD1 4.38Å; F182-L214 HydrophobicContact CZ-CD2 4.47Å
183S83.6Confident71.9Confident56 Ų5694.2 Ų94.239%0.39247%0.472SS..  trans-67.7152.7174.368.30000110.4Q185 F186 Y187S183-Q185 PolarHBondContact O-N 2.92Å; S183-Q185 VanDerWaalsContact O-N 3.11Å; S183-Q185 PolarHBondContact OG-OE1 2.83Å; S183-F186 PolarHBondContact O-N 3.14Å; S183-F186 PolarHBondContact OG-N 2.77Å; S183-F186 VanDerWaalsContact OG-N 3.17Å; S183-Y187 VanDerWaalsContact O-CD2 3.27Å; S183-Y187 WeakPolarHBondContact O-CD2 3.44Å; S183-Y187 PolarHBondContact O-N 3.23Å; S183-Y187 VanDerWaalsContact O-N 3.16Å
184P85.7Confident74.4Confident77 Ų7790.5 Ų90.550%0.543%0.43SS..Hα-helixtrans-49.9-35.6171.9-2936.6000113.4Y187 E188P184-Y187 PolarHBondContact O-N 2.93Å; P184-E188 PolarHBondContact O-N 3.14Å
185Q88.4Confident76.4Confident123 Ų12388.7 Ų88.758%0.57541%0.408SS*.Hα-helixtrans-67.6-38.4177.7-62.678.111.500111.9S183 E188 V189S183-Q185 PolarHBondContact O-N 2.92Å; S183-Q185 VanDerWaalsContact O-N 3.11Å; S183-Q185 PolarHBondContact OG-OE1 2.83Å; Q185-E188 WeakPolarHBondContact O-CB 3.31Å; Q185-E188 PolarHBondContact O-N 2.68Å; Q185-V189 PolarHBondContact O-N 3.43Å; Q185-V189 VanDerWaalsContact O-N 3.13Å
186F87.6Confident78.4Confident75 Ų7585.4 Ų85.433%0.32938%0.382SS..Hα-helixtrans-70.1-36.2178.1-171.1-99.3000111.9F182 S183 E188 V189 L190F182-F186 HydrophobicContact CB-CB 4.06Å; F182-F186 HydrophobicContact CB-CD1 3.57Å; F182-F186 HydrophobicContact CB-CE1 4.45Å; F182-F186 HydrophobicContact CB-CG 4.19Å; F182-F186 AromaticContact CD1-CD1 3.61Å; F182-F186 HydrophobicContact CD1-CD1 3.61Å; F182-F186 AromaticContact CD1-CE1 3.73Å; F182-F186 HydrophobicContact CD1-CE1 3.73Å; F182-F186 HydrophobicContact CD1-CG 4.4Å; F182-F186 AromaticContact CD2-CD1 3.75Å; F182-F186 HydrophobicContact CD2-CD1 3.75Å; F182-F186 AromaticContact CD2-CE1 3.87Å; F182-F186 HydrophobicContact CD2-CE1 3.87Å; F182-F186 HydrophobicContact CE1-CD1 4.2Å; F182-F186 AromaticContact CE1-CE1 3.81Å; F182-F186 HydrophobicContact CE1-CE1 3.81Å; F182-F186 HydrophobicContact CE2-CD1 4.3Å; F182-F186 AromaticContact CE2-CE1 3.94Å; F182-F186 HydrophobicContact CE2-CE1 3.94Å; F182-F186 AromaticContact CG-CD1 3.37Å; F182-F186 HydrophobicContact CG-CD1 3.37Å; F182-F186 AromaticContact CG-CE1 3.77Å; F182-F186 HydrophobicContact CG-CE1 3.77Å; F182-F186 HydrophobicContact CG-CG 4.33Å; F182-F186 AromaticContact CZ-CE1 3.92Å; F182-F186 HydrophobicContact CZ-CE1 3.92Å; S183-F186 PolarHBondContact O-N 3.14Å; S183-F186 PolarHBondContact OG-N 2.77Å; S183-F186 VanDerWaalsContact OG-N 3.17Å; F186-E188 PolarHBondContact O-N 2.7Å; F186-V189 WeakPolarHBondContact O-CA 3.34Å; F186-V189 WeakPolarHBondContact O-CB 3.42Å; F186-V189 PolarHBondContact O-N 2.74Å; F186-L190 HydrophobicContact CD1-CD1 4.01Å; F186-L190 HydrophobicContact CD1-CD2 4.5Å; F186-L190 HydrophobicContact CD1-CG 4.02Å; F186-L190 HydrophobicContact CE1-CD1 3.84Å; F186-L190 HydrophobicContact CE1-CD2 3.85Å; F186-L190 HydrophobicContact CE1-CG 3.83Å; F186-L190 HydrophobicContact CZ-CD2 4.11Å; F186-L190 HydrophobicContact CZ-CG 4.49Å; F186-L190 WeakPolarHBondContact O-CG 3.4Å; F186-L190 PolarHBondContact O-N 2.93Å
187Y86.3Confident80Confident16 Ų1681.2 Ų81.26%0.06337%0.369CS..Hα-helixtrans-60.1-35.1171.3-68-63.5000112.3L142 A143 M146 Y180 F182 S183 P184 L190 L191L142-Y187 HydrophobicContact CG-CD1 4.47Å; A143-Y187 HydrophobicContact CB-CD1 4.41Å; A143-Y187 HydrophobicContact CB-CD2 4.43Å; A143-Y187 HydrophobicContact CB-CE1 4.01Å; A143-Y187 HydrophobicContact CB-CE2 4.02Å; M146-Y187 HydrophobicContact CB-CE1 3.83Å; M146-Y187 HydrophobicContact CG-CD1 4.42Å; M146-Y187 HydrophobicContact CG-CE1 3.77Å; Y180-Y187 PolarHBondContact O-OH 3.39Å; F182-Y187 HydrophobicContact CB-CD2 4.41Å; F182-Y187 HydrophobicContact CB-CE1 4.08Å; F182-Y187 HydrophobicContact CB-CE2 3.95Å; F182-Y187 AromaticContact CD2-CE1 3.98Å; F182-Y187 HydrophobicContact CD2-CE1 3.98Å; F182-Y187 WeakPolarHBondContact O-CE2 3.35Å; S183-Y187 VanDerWaalsContact O-CD2 3.27Å; S183-Y187 WeakPolarHBondContact O-CD2 3.44Å; S183-Y187 PolarHBondContact O-N 3.23Å; S183-Y187 VanDerWaalsContact O-N 3.16Å; P184-Y187 PolarHBondContact O-N 2.93Å; Y187-L190 HydrophobicContact CD1-CD1 4.39Å; Y187-L190 PolarHBondContact O-N 3.4Å; Y187-L191 WeakPolarHBondContact O-CB 3.46Å; Y187-L191 WeakPolarHBondContact O-CG 3.36Å; Y187-L191 PolarHBondContact O-N 2.99Å
188E87.6Confident81.7Confident79 Ų7977.3 Ų77.337%0.36937%0.37SS..Hα-helixtrans-67.1-36.1173.3-70170.2-163.100112.5K139 P184 Q185 F186 R192K139-E188 IonicContact NZ-OE1 3.52Å; K139-E188 PolarHBondContact NZ-OE1 3.35Å; P184-E188 PolarHBondContact O-N 3.14Å; Q185-E188 WeakPolarHBondContact O-CB 3.31Å; Q185-E188 PolarHBondContact O-N 2.68Å; F186-E188 PolarHBondContact O-N 2.7Å; E188-R192 WeakPolarHBondContact O-CB 3.39Å; E188-R192 VanDerWaalsContact O-CG 3.26Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 3.32Å
189V89.1Confident83.1Confident83 Ų8371.2 Ų71.250%0.50336%0.356SS..Hα-helixtrans-64.1-44.6172.8175.30000110.7Q185 F186 R192 K193Q185-V189 PolarHBondContact O-N 3.43Å; Q185-V189 VanDerWaalsContact O-N 3.13Å; F186-V189 WeakPolarHBondContact O-CA 3.34Å; F186-V189 WeakPolarHBondContact O-CB 3.42Å; F186-V189 PolarHBondContact O-N 2.74Å; V189-R192 PolarHBondContact O-N 3.05Å; V189-K193 VanDerWaalsContact O-CB 3.31Å; V189-K193 WeakPolarHBondContact O-CB 3.38Å; V189-K193 PolarHBondContact O-N 3.03Å
190L89.5Confident84.2Confident11 Ų1172.6 Ų72.66%0.05837%0.37CS..Hα-helixtrans-61-48.1176.1-65.5-177.7000111.2L142 M146 F182 F186 Y187 R192 K193 F194 L210L142-L190 HydrophobicContact CD2-CB 4.18Å; M146-L190 HydrophobicContact CG-CD1 4.34Å; M146-L190 HydrophobicContact SD-CD1 4.35Å; F182-L190 HydrophobicContact CD2-CD1 4.38Å; F186-L190 HydrophobicContact CD1-CD1 4.01Å; F186-L190 HydrophobicContact CD1-CD2 4.5Å; F186-L190 HydrophobicContact CD1-CG 4.02Å; F186-L190 HydrophobicContact CE1-CD1 3.84Å; F186-L190 HydrophobicContact CE1-CD2 3.85Å; F186-L190 HydrophobicContact CE1-CG 3.83Å; F186-L190 HydrophobicContact CZ-CD2 4.11Å; F186-L190 HydrophobicContact CZ-CG 4.49Å; F186-L190 WeakPolarHBondContact O-CG 3.4Å; F186-L190 PolarHBondContact O-N 2.93Å; Y187-L190 HydrophobicContact CD1-CD1 4.39Å; Y187-L190 PolarHBondContact O-N 3.4Å; L190-R192 PolarHBondContact O-N 3.48Å; L190-K193 PolarHBondContact O-N 3.14Å; L190-K193 VanDerWaalsContact O-N 3.17Å; L190-F194 HydrophobicContact CD2-CE2 4.23Å; L190-F194 WeakPolarHBondContact O-CD2 3.29Å; L190-F194 PolarHBondContact O-N 3.18Å; L190-L210 HydrophobicContact CD1-CD1 4.33Å; L190-L210 HydrophobicContact CD2-CD1 3.77Å; L190-L210 HydrophobicContact CG-CD1 4.46Å
191L89.4Confident85.3Confident19 Ų1973.1 Ų73.110%0.09938%0.375CS..Hα-helixtrans-57.9-50.4176.7-75170.3000111.3K139 L142 Y187 K193 F194 D195 V202K139-L191 HydrophobicContact CB-CD1 3.72Å; K139-L191 HydrophobicContact CD-CD1 4.21Å; K139-L191 HydrophobicContact CG-CD1 3.77Å; L142-L191 HydrophobicContact CD2-CD2 3.78Å; L142-L191 HydrophobicContact CD2-CG 3.83Å; Y187-L191 WeakPolarHBondContact O-CB 3.46Å; Y187-L191 WeakPolarHBondContact O-CG 3.36Å; Y187-L191 PolarHBondContact O-N 2.99Å; L191-K193 PolarHBondContact O-N 2.99Å; L191-F194 PolarHBondContact O-N 2.85Å; L191-D195 WeakPolarHBondContact O-CA 3.2Å; L191-D195 WeakPolarHBondContact O-CB 3.49Å; L191-D195 PolarHBondContact O-N 3.45Å; L191-V202 HydrophobicContact CD2-CG2 3.6Å
192R88.1Confident86.1Confident208 Ų20866 Ų6679%0.78535%0.349SS*.Hα-helixtrans-60.6-30.6178.9-74.3176.8-178.8179.13.6113.4E188 V189 L190E188-R192 WeakPolarHBondContact O-CB 3.39Å; E188-R192 VanDerWaalsContact O-CG 3.26Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 3.32Å; V189-R192 PolarHBondContact O-N 3.05Å; L190-R192 PolarHBondContact O-N 3.48Å
193K87.3Confident86.2Confident146 Ų14665.4 Ų65.464%0.63535%0.346SS*.Hα-helixtrans-81.7-38.2-178.4-175167.3-177.2167.10112.8V189 L190 L191V189-K193 VanDerWaalsContact O-CB 3.31Å; V189-K193 WeakPolarHBondContact O-CB 3.38Å; V189-K193 PolarHBondContact O-N 3.03Å; L190-K193 PolarHBondContact O-N 3.14Å; L190-K193 VanDerWaalsContact O-N 3.17Å; L191-K193 PolarHBondContact O-N 2.99Å
194F87Confident86Confident11 Ų1164 Ų645%0.04833%0.333CS..Hα-helixtrans-108-16-171.4-66.2-81.4000113.8L190 L191 R196 V202 D206 H209 L210 V213L190-F194 HydrophobicContact CD2-CE2 4.23Å; L190-F194 WeakPolarHBondContact O-CD2 3.29Å; L190-F194 PolarHBondContact O-N 3.18Å; L191-F194 PolarHBondContact O-N 2.85Å; F194-R196 VanDerWaalsContact C-N 3.32Å; F194-R196 PolarHBondContact O-N 2.99Å; F194-V202 HydrophobicContact CB-CG1 4.44Å; F194-D206 WeakPolarHBondContact O-CB 3.35Å; F194-H209 HydrophobicContact CD1-CB 4.31Å; F194-H209 HydrophobicContact CE1-CB 4.35Å; F194-H209 AromaticContact CE1-CD2 3.55Å; F194-L210 HydrophobicContact CB-CB 4.47Å; F194-L210 HydrophobicContact CD1-CB 3.9Å; F194-L210 HydrophobicContact CD2-CB 4.08Å; F194-L210 HydrophobicContact CD2-CD1 3.58Å; F194-L210 HydrophobicContact CD2-CG 4.26Å; F194-L210 HydrophobicContact CE1-CB 4.12Å; F194-L210 HydrophobicContact CE2-CB 4.29Å; F194-L210 HydrophobicContact CE2-CD1 3.36Å; F194-L210 HydrophobicContact CE2-CG 4.38Å; F194-L210 HydrophobicContact CG-CB 3.88Å; F194-L210 HydrophobicContact CG-CD1 4.27Å; F194-L210 HydrophobicContact CZ-CB 4.3Å; F194-L210 HydrophobicContact CZ-CD1 3.89Å; F194-V213 HydrophobicContact CE1-CG2 4.5Å; F194-V213 HydrophobicContact CZ-CB 4.29Å; F194-V213 HydrophobicContact CZ-CG1 4.25Å; F194-V213 HydrophobicContact CZ-CG2 4.45Å
195D87.3Confident85.4Confident16 Ų1660.5 Ų60.59%0.08631%0.31CS..  trans-79.481.3168176.613.3000110.4L191 S197 A198 T199 G200 N201L191-D195 WeakPolarHBondContact O-CA 3.2Å; L191-D195 WeakPolarHBondContact O-CB 3.49Å; L191-D195 PolarHBondContact O-N 3.45Å; D195-S197 PolarHBondContact O-N 3.04Å; D195-S197 VanDerWaalsContact O-N 3.13Å; D195-S197 WeakPolarHBondContact OD1-CA 3.43Å; D195-S197 PolarHBondContact OD1-N 2.72Å; D195-S197 PolarHBondContact OD1-OG 2.86Å; D195-A198 PolarHBondContact O-N 2.92Å; D195-A198 VanDerWaalsContact O-N 3.14Å; D195-A198 PolarHBondContact OD1-N 3.3Å; D195-A198 VanDerWaalsContact OD2-C 3.25Å; D195-A198 VanDerWaalsContact OD2-CA 3.26Å; D195-A198 WeakPolarHBondContact OD2-CA 3.47Å; D195-A198 PolarHBondContact OD2-N 3.35Å; D195-T199 PolarHBondContact OD1-N 2.98Å; D195-T199 PolarHBondContact OD2-N 3.43Å; D195-G200 WeakPolarHBondContact OD2-CA 3.49Å; D195-G200 PolarHBondContact OD2-N 2.89Å; D195-N201 WeakPolarHBondContact CB-O 3.09Å; D195-N201 VanDerWaalsContact OD1-O 3.07Å; D195-N201 PolarHBondContact OD2-N 3.27Å
196R81Confident85.2Confident107 Ų10754.8 Ų54.840%0.40428%0.283SS..THydrogen-bonded Turntrans-59.8-22.3175.7-73.6-176.4-63.8151.912.7113F194 D205 D206F194-R196 VanDerWaalsContact C-N 3.32Å; F194-R196 PolarHBondContact O-N 2.99Å; R196-D205 IonicContact CZ-OD2 2.75Å; R196-D205 IonicContact NH1-OD2 2.93Å; R196-D205 IonicContact NH2-OD1 3.04Å; R196-D205 PolarHBondContact NH2-OD1 3.43Å; R196-D205 IonicContact NH2-OD2 3.3Å; R196-D205 PolarHBondContact NH2-OD2 2.82Å; R196-D206 IonicContact CZ-OD1 3.4Å; R196-D206 VanDerWaalsContact CZ-OD1 3.3Å; R196-D206 IonicContact CZ-OD2 3.23Å; R196-D206 VanDerWaalsContact NE-CG 3.29Å; R196-D206 IonicContact NE-OD1 3.12Å; R196-D206 PolarHBondContact NE-OD1 3.03Å; R196-D206 IonicContact NE-OD2 2.67Å; R196-D206 PolarHBondContact NE-OD2 3.49Å; R196-D206 VanDerWaalsContact NE-OD2 3.12Å; R196-D206 IonicContact NH2-OD1 3.51Å; R196-D206 PolarHBondContact NH2-OD1 3.29Å; R196-D206 IonicContact NH2-OD2 3.79Å; R196-D206 PolarHBondContact NH2-OD2 3.22Å
197S80.1Confident84.9Confident45 Ų4551.2 Ų51.232%0.31527%0.268SS..THydrogen-bonded Turntrans-87.2-9.2-178.661.30000114D195 T199D195-S197 PolarHBondContact O-N 3.04Å; D195-S197 VanDerWaalsContact O-N 3.13Å; D195-S197 WeakPolarHBondContact OD1-CA 3.43Å; D195-S197 PolarHBondContact OD1-N 2.72Å; D195-S197 PolarHBondContact OD1-OG 2.86Å; S197-T199 PolarHBondContact O-N 3.33Å; S197-T199 VanDerWaalsContact OG-CG2 3.31Å; S197-T199 WeakPolarHBondContact OG-CG2 3.38Å; S197-T199 PolarHBondContact OG-OG1 2.97Å
198A84.1Confident84.5Confident92 Ų9250.6 Ų50.676%0.7627%0.266SS*.  trans50.135.4-173.500000113.2D195D195-A198 PolarHBondContact O-N 2.92Å; D195-A198 VanDerWaalsContact O-N 3.14Å; D195-A198 PolarHBondContact OD1-N 3.3Å; D195-A198 VanDerWaalsContact OD2-C 3.25Å; D195-A198 VanDerWaalsContact OD2-CA 3.26Å; D195-A198 WeakPolarHBondContact OD2-CA 3.47Å; D195-A198 PolarHBondContact OD2-N 3.35Å
199T84.8Confident84Confident84 Ų8447.7 Ų47.752%0.51525%0.252SS..SBendtrans-88.8-10179.858.10000113.3D195 S197 N201D195-T199 PolarHBondContact OD1-N 2.98Å; D195-T199 PolarHBondContact OD2-N 3.43Å; S197-T199 PolarHBondContact O-N 3.33Å; S197-T199 VanDerWaalsContact OG-CG2 3.31Å; S197-T199 WeakPolarHBondContact OG-CG2 3.38Å; S197-T199 PolarHBondContact OG-OG1 2.97Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact OG1-N 2.86Å; T199-N201 PolarHBondContact OG1-O 3.49Å
200G86.9Confident83.7Confident40 Ų4043.7 Ų43.741%0.41223%0.228SC..SBendtrans89-2-168.800000113.7D195D195-G200 WeakPolarHBondContact OD2-CA 3.49Å; D195-G200 PolarHBondContact OD2-N 2.89Å
201N86.9Confident83.1Confident47 Ų4743.2 Ų43.225%0.25123%0.225SC..SBendtrans-129.1148.4-175.3-53.9-49.2000111.7S136 I137 D138 D195 T199S136-N201 WeakPolarHBondContact OG-CB 3.17Å; I137-N201 CarbonylContact O-C 3.2Å; I137-N201 WeakPolarHBondContact O-CA 3.39Å; D138-N201 WeakPolarHBondContact CA-OD1 3.29Å; D138-N201 WeakPolarHBondContact CB-OD1 3.46Å; D195-N201 WeakPolarHBondContact CB-O 3.09Å; D195-N201 VanDerWaalsContact OD1-O 3.07Å; D195-N201 PolarHBondContact OD2-N 3.27Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact OG1-N 2.86Å; T199-N201 PolarHBondContact OG1-O 3.49Å
202V86.7Confident82.3Confident0 Ų042.4 Ų42.40%022%0.221CC..EExtended strand (participates in β ladder)trans-93.9122.5178.3-171.30000109.6I137 L142 L191 F194 D206 F207I137-V202 HydrophobicContact CB-CB 4.35Å; I137-V202 PolarHBondContact N-O 2.75Å; I137-V202 PolarHBondContact O-N 3.41Å; L142-V202 HydrophobicContact CD2-CG2 4.44Å; L191-V202 HydrophobicContact CD2-CG2 3.6Å; F194-V202 HydrophobicContact CB-CG1 4.44Å; V202-D206 HydrophobicContact CG1-CB 3.62Å; V202-F207 HydrophobicContact CG1-CB 3.96Å
203K83.5Confident81.8Confident39 Ų3932.9 Ų32.917%0.1719%0.186CC..EExtended strand (participates in β ladder)trans-74.8162.8175.5-66-174.8176.9-174.80111.4S37 D205 D206 F207S37-K203 PolarHBondContact OG-NZ 2.9Å; S37-K203 VanDerWaalsContact OG-NZ 3.1Å; K203-D205 VanDerWaalsContact C-N 3.31Å; K203-D205 PolarHBondContact O-N 2.86Å; K203-D206 PolarHBondContact O-N 2.75Å; K203-D206 VanDerWaalsContact O-N 3.15Å; K203-F207 WeakPolarHBondContact O-CB 3.33Å; K203-F207 PolarHBondContact O-N 3.49Å
204F79Confident81.4Confident26 Ų2626.6 Ų26.611%0.11416%0.159CC..Hα-helixtrans-46.2-49.3-178.7177.1-115.3000114.7F41 W122 T123 F126 F207 I208F41-F204 HydrophobicContact CE2-CD1 4.08Å; F41-F204 HydrophobicContact CE2-CE1 4.26Å; W122-F204 HydrophobicContact CB-CE2 4.3Å; W122-F204 HydrophobicContact CB-CZ 4.18Å; T123-F204 WeakPolarHBondContact OG1-CZ 3.48Å; F126-F204 HydrophobicContact CB-CD2 3.62Å; F126-F204 HydrophobicContact CB-CE2 3.79Å; F126-F204 HydrophobicContact CD1-CD2 4.11Å; F126-F204 HydrophobicContact CD2-CB 4.3Å; F126-F204 AromaticContact CD2-CD2 3.69Å; F126-F204 HydrophobicContact CD2-CD2 3.69Å; F126-F204 HydrophobicContact CD2-CG 4.49Å; F126-F204 HydrophobicContact CE2-CB 4.12Å; F126-F204 HydrophobicContact CE2-CD2 4.35Å; F126-F204 AromaticContact CG-CD2 3.54Å; F126-F204 HydrophobicContact CG-CD2 3.54Å; F126-F204 HydrophobicContact CG-CE2 4.23Å; F126-F204 HydrophobicContact CZ-CB 4.24Å; F204-F207 WeakPolarHBondContact O-CB 3.47Å; F204-F207 PolarHBondContact O-N 2.8Å; F204-I208 HydrophobicContact CD1-CD1 4.06Å; F204-I208 HydrophobicContact CD2-CD1 4.3Å; F204-I208 HydrophobicContact CE1-CD1 3.51Å; F204-I208 HydrophobicContact CE2-CD1 3.78Å; F204-I208 HydrophobicContact CE2-CG1 4.28Å; F204-I208 HydrophobicContact CG-CD1 4.45Å; F204-I208 HydrophobicContact CZ-CD1 3.37Å; F204-I208 HydrophobicContact CZ-CG1 4.35Å; F204-I208 WeakPolarHBondContact O-CG1 3.32Å; F204-I208 PolarHBondContact O-N 3Å
205D72.7Confident80.6Confident4 Ų426.6 Ų26.62%0.02116%0.159CC..Hα-helixtrans-74.3-32.6-175.164-44.5000113.1F41 N42 T45 R196 K203 H209F41-D205 WeakPolarHBondContact CA-OD2 3.34Å; F41-D205 HydrophobicContact CD1-CB 3.95Å; F41-D205 HydrophobicContact CD2-CB 3.25Å; F41-D205 HydrophobicContact CE1-CB 3.84Å; F41-D205 HydrophobicContact CE2-CB 3.13Å; F41-D205 HydrophobicContact CG-CB 3.7Å; F41-D205 HydrophobicContact CZ-CB 3.44Å; F41-D205 VanDerWaalsContact CZ-CB 3.44Å; N42-D205 PolarHBondContact N-OD2 3.07Å; T45-D205 PolarHBondContact OG1-O 2.84Å; R196-D205 IonicContact CZ-OD2 2.75Å; R196-D205 IonicContact NH1-OD2 2.93Å; R196-D205 IonicContact NH2-OD1 3.04Å; R196-D205 PolarHBondContact NH2-OD1 3.43Å; R196-D205 IonicContact NH2-OD2 3.3Å; R196-D205 PolarHBondContact NH2-OD2 2.82Å; K203-D205 VanDerWaalsContact C-N 3.31Å; K203-D205 PolarHBondContact O-N 2.86Å; D205-H209 PolarHBondContact O-N 2.97Å
206D84Confident79.8Confident2 Ų227.5 Ų27.51%0.01117%0.165CC..Hα-helixtrans-70.8-33.9170.8-72.6-43.8000112.5F194 R196 V202 K203 H209 L210F194-D206 WeakPolarHBondContact O-CB 3.35Å; R196-D206 IonicContact CZ-OD1 3.4Å; R196-D206 VanDerWaalsContact CZ-OD1 3.3Å; R196-D206 IonicContact CZ-OD2 3.23Å; R196-D206 VanDerWaalsContact NE-CG 3.29Å; R196-D206 IonicContact NE-OD1 3.12Å; R196-D206 PolarHBondContact NE-OD1 3.03Å; R196-D206 IonicContact NE-OD2 2.67Å; R196-D206 PolarHBondContact NE-OD2 3.49Å; R196-D206 VanDerWaalsContact NE-OD2 3.12Å; R196-D206 IonicContact NH2-OD1 3.51Å; R196-D206 PolarHBondContact NH2-OD1 3.29Å; R196-D206 IonicContact NH2-OD2 3.79Å; R196-D206 PolarHBondContact NH2-OD2 3.22Å; V202-D206 HydrophobicContact CG1-CB 3.62Å; K203-D206 PolarHBondContact O-N 2.75Å; K203-D206 VanDerWaalsContact O-N 3.15Å; D206-H209 WeakPolarHBondContact O-CB 3.49Å; D206-H209 PolarHBondContact O-N 2.81Å; D206-L210 WeakPolarHBondContact O-CB 3.39Å; D206-L210 PolarHBondContact O-N 3Å
207F82.4Confident79.6Confident1 Ų125.5 Ų25.50%0.00416%0.162CC..Hα-helixtrans-67.6-44.2174.7177.5-102.1000111.3W122 T125 F126 F129 I137 A145 M146 V202 K203 F204 H209 L210 C211W122-F207 HydrophobicContact CE3-CE1 4.48Å; W122-F207 HydrophobicContact CZ3-CE1 4.13Å; T125-F207 HydrophobicContact CG2-CE1 4.25Å; F126-F207 HydrophobicContact CD2-CB 3.96Å; F126-F207 AromaticContact CD2-CD1 3.73Å; F126-F207 HydrophobicContact CD2-CD1 3.73Å; F126-F207 HydrophobicContact CD2-CE1 4.48Å; F126-F207 AromaticContact CD2-CG 3.96Å; F126-F207 HydrophobicContact CD2-CG 3.96Å; F126-F207 HydrophobicContact CE2-CB 3.94Å; F126-F207 HydrophobicContact CE2-CG 4.3Å; F129-F207 HydrophobicContact CD2-CE1 4.23Å; F129-F207 AromaticContact CD2-CZ 3.68Å; F129-F207 HydrophobicContact CD2-CZ 3.68Å; F129-F207 AromaticContact CE2-CZ 3.98Å; F129-F207 HydrophobicContact CE2-CZ 3.98Å; I137-F207 HydrophobicContact CD1-CB 4.18Å; I137-F207 HydrophobicContact CD1-CD1 4.03Å; I137-F207 HydrophobicContact CD1-CD2 3.35Å; I137-F207 HydrophobicContact CD1-CE1 4.23Å; I137-F207 HydrophobicContact CD1-CE2 3.6Å; I137-F207 HydrophobicContact CD1-CG 3.57Å; I137-F207 HydrophobicContact CD1-CZ 4.03Å; A145-F207 HydrophobicContact CB-CE2 3.64Å; A145-F207 HydrophobicContact CB-CZ 3.89Å; M146-F207 HydrophobicContact CE-CE2 4.21Å; V202-F207 HydrophobicContact CG1-CB 3.96Å; K203-F207 WeakPolarHBondContact O-CB 3.33Å; K203-F207 PolarHBondContact O-N 3.49Å; F204-F207 WeakPolarHBondContact O-CB 3.47Å; F204-F207 PolarHBondContact O-N 2.8Å; F207-H209 VanDerWaalsContact C-N 3.31Å; F207-H209 PolarHBondContact O-N 3.43Å; F207-L210 PolarHBondContact O-N 2.9Å; F207-C211 VanDerWaalsContact CZ-SG 3.53Å; F207-C211 PolarHBondContact O-N 2.82Å
208I76.4Confident79.3Confident3 Ų324.2 Ų24.22%0.01515%0.152CC..Hα-helixtrans-57.6-48.3172.3-68.8171.9000109.7F41 T45 L49 W122 F204 L210 C211 V212F41-I208 HydrophobicContact CZ-CD1 4.33Å; T45-I208 HydrophobicContact CG2-CB 4.04Å; T45-I208 HydrophobicContact CG2-CG2 3.6Å; L49-I208 HydrophobicContact CD1-CG2 4.24Å; L49-I208 HydrophobicContact CD2-CG2 3.64Å; L49-I208 HydrophobicContact CG-CG2 4.22Å; W122-I208 HydrophobicContact CB-CD1 4.07Å; W122-I208 HydrophobicContact CB-CG1 4.32Å; W122-I208 HydrophobicContact CD2-CG1 4.21Å; W122-I208 HydrophobicContact CE3-CG1 4.26Å; W122-I208 HydrophobicContact CG-CD1 4.33Å; W122-I208 HydrophobicContact CG-CG1 4.26Å; F204-I208 HydrophobicContact CD1-CD1 4.06Å; F204-I208 HydrophobicContact CD2-CD1 4.3Å; F204-I208 HydrophobicContact CE1-CD1 3.51Å; F204-I208 HydrophobicContact CE2-CD1 3.78Å; F204-I208 HydrophobicContact CE2-CG1 4.28Å; F204-I208 HydrophobicContact CG-CD1 4.45Å; F204-I208 HydrophobicContact CZ-CD1 3.37Å; F204-I208 HydrophobicContact CZ-CG1 4.35Å; F204-I208 WeakPolarHBondContact O-CG1 3.32Å; F204-I208 PolarHBondContact O-N 3Å; I208-L210 VanDerWaalsContact C-N 3.34Å; I208-L210 PolarHBondContact O-N 2.98Å; I208-C211 PolarHBondContact O-N 2.84Å; I208-V212 HydrophobicContact CG2-CG2 4.22Å; I208-V212 WeakPolarHBondContact O-CB 3.26Å; I208-V212 WeakPolarHBondContact O-CG2 3.5Å; I208-V212 PolarHBondContact O-N 3.43Å
209H77.3Confident78.7Confident17 Ų1721.9 Ų21.98%0.07913%0.134CC..Hα-helixtrans-54-52.3177.3-162.3137.3000111N42 T45 F194 D205 D206 F207 C211 V212 V213N42-H209 PolarHBondContact ND2-ND1 2.66Å; T45-H209 HydrophobicContact CG2-CB 4.5Å; T45-H209 VanDerWaalsContact OG1-CB 3.28Å; T45-H209 WeakPolarHBondContact OG1-CB 3.35Å; T45-H209 PolarHBondContact OG1-ND1 3.06Å; F194-H209 HydrophobicContact CD1-CB 4.31Å; F194-H209 HydrophobicContact CE1-CB 4.35Å; F194-H209 AromaticContact CE1-CD2 3.55Å; D205-H209 PolarHBondContact O-N 2.97Å; D206-H209 WeakPolarHBondContact O-CB 3.49Å; D206-H209 PolarHBondContact O-N 2.81Å; F207-H209 VanDerWaalsContact C-N 3.31Å; F207-H209 PolarHBondContact O-N 3.43Å; H209-C211 PolarHBondContact O-N 2.87Å; H209-V212 PolarHBondContact O-N 2.95Å; H209-V213 WeakPolarHBondContact CD2-CG2 3.38Å; H209-V213 WeakPolarHBondContact O-CG2 3.49Å; H209-V213 PolarHBondContact O-N 3.39Å
210L82.8Confident78.1Confident0 Ų018.4 Ų18.40%011%0.112CC..Hα-helixtrans-55.7-50.9-179.7168.861.9000111.9L142 M146 L190 F194 D206 F207 I208 V212 V213 L214L142-L210 HydrophobicContact CD1-CD2 3.5Å; M146-L210 HydrophobicContact CE-CD2 4.08Å; M146-L210 HydrophobicContact CE-CG 4.45Å; M146-L210 HydrophobicContact SD-CD2 4.39Å; L190-L210 HydrophobicContact CD1-CD1 4.33Å; L190-L210 HydrophobicContact CD2-CD1 3.77Å; L190-L210 HydrophobicContact CG-CD1 4.46Å; F194-L210 HydrophobicContact CB-CB 4.47Å; F194-L210 HydrophobicContact CD1-CB 3.9Å; F194-L210 HydrophobicContact CD2-CB 4.08Å; F194-L210 HydrophobicContact CD2-CD1 3.58Å; F194-L210 HydrophobicContact CD2-CG 4.26Å; F194-L210 HydrophobicContact CE1-CB 4.12Å; F194-L210 HydrophobicContact CE2-CB 4.29Å; F194-L210 HydrophobicContact CE2-CD1 3.36Å; F194-L210 HydrophobicContact CE2-CG 4.38Å; F194-L210 HydrophobicContact CG-CB 3.88Å; F194-L210 HydrophobicContact CG-CD1 4.27Å; F194-L210 HydrophobicContact CZ-CB 4.3Å; F194-L210 HydrophobicContact CZ-CD1 3.89Å; D206-L210 WeakPolarHBondContact O-CB 3.39Å; D206-L210 PolarHBondContact O-N 3Å; F207-L210 PolarHBondContact O-N 2.9Å; I208-L210 VanDerWaalsContact C-N 3.34Å; I208-L210 PolarHBondContact O-N 2.98Å; L210-V212 VanDerWaalsContact C-N 3.27Å; L210-V212 PolarHBondContact O-N 2.96Å; L210-V213 PolarHBondContact O-N 3.46Å; L210-L214 HydrophobicContact CD1-CD1 3.67Å; L210-L214 HydrophobicContact CD1-CG 3.88Å; L210-L214 HydrophobicContact CG-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CB 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.19Å; L210-L214 PolarHBondContact O-N 3.11Å
211C76.9Confident77.5Confident0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-59.1-42.6179.7-770000111.6W122 F149 F207 I208 H209 L214 Q215W122-C211 HydrophobicContact CH2-CB 3.5Å; W122-C211 VanDerWaalsContact CH2-CB 3.5Å; W122-C211 HydrophobicContact CZ2-CB 4.43Å; W122-C211 HydrophobicContact CZ3-CB 3.96Å; F149-C211 HydrophobicContact CE2-CB 4.01Å; F149-C211 HydrophobicContact CZ-CB 4.4Å; F149-C211 VanDerWaalsContact CZ-O 3.23Å; F149-C211 WeakPolarHBondContact CZ-O 3.42Å; F207-C211 VanDerWaalsContact CZ-SG 3.53Å; F207-C211 PolarHBondContact O-N 2.82Å; I208-C211 PolarHBondContact O-N 2.84Å; H209-C211 PolarHBondContact O-N 2.87Å; C211-L214 PolarHBondContact O-N 3Å; C211-Q215 WeakPolarHBondContact O-CB 3.28Å; C211-Q215 PolarHBondContact O-N 3.18Å
212V72.9Confident76.8Confident3 Ų320.8 Ų20.82%0.01811%0.108CC..Hα-helixtrans-67.9-42.5-179.31770000111.9I48 K52 I208 H209 L210 Q215 V216I48-V212 HydrophobicContact CG2-CB 4.33Å; I48-V212 HydrophobicContact CG2-CG1 3.31Å; K52-V212 HydrophobicContact CD-CG1 3.18Å; I208-V212 HydrophobicContact CG2-CG2 4.22Å; I208-V212 WeakPolarHBondContact O-CB 3.26Å; I208-V212 WeakPolarHBondContact O-CG2 3.5Å; I208-V212 PolarHBondContact O-N 3.43Å; H209-V212 PolarHBondContact O-N 2.95Å; L210-V212 VanDerWaalsContact C-N 3.27Å; L210-V212 PolarHBondContact O-N 2.96Å; V212-Q215 WeakPolarHBondContact O-CB 3.45Å; V212-Q215 PolarHBondContact O-N 3.06Å; V212-V216 WeakPolarHBondContact O-CG2 3.31Å; V212-V216 PolarHBondContact O-N 3.4Å; V212-V216 VanDerWaalsContact O-N 3.14Å
213V77.7Confident76.2Confident8 Ų827 Ų275%0.04814%0.137CC..Hα-helixtrans-60.6-46.8174164.60000111F194 H209 L210 Q215 V216 L217 L248F194-V213 HydrophobicContact CE1-CG2 4.5Å; F194-V213 HydrophobicContact CZ-CB 4.29Å; F194-V213 HydrophobicContact CZ-CG1 4.25Å; F194-V213 HydrophobicContact CZ-CG2 4.45Å; H209-V213 WeakPolarHBondContact CD2-CG2 3.38Å; H209-V213 WeakPolarHBondContact O-CG2 3.49Å; H209-V213 PolarHBondContact O-N 3.39Å; L210-V213 PolarHBondContact O-N 3.46Å; V213-Q215 VanDerWaalsContact C-N 3.27Å; V213-Q215 PolarHBondContact O-N 3.48Å; V213-V216 PolarHBondContact O-N 3.3Å; V213-L217 HydrophobicContact CG1-CD1 3.71Å; V213-L217 HydrophobicContact CG1-CG 4.34Å; V213-L217 WeakPolarHBondContact O-CB 3.41Å; V213-L217 WeakPolarHBondContact O-CG 2.8Å; V213-L217 PolarHBondContact O-N 2.84Å; V213-L248 HydrophobicContact CG2-CD1 4.1Å; V213-L248 HydrophobicContact CG2-CD2 3.83Å
214L78.8Confident75.8Confident14 Ų1428.6 Ų28.67%0.07314%0.141CC..Hα-helixtrans-61.8-37177.9-75.9175000112.2M146 F149 F182 L210 C211 T218M146-L214 HydrophobicContact CE-CD1 4.1Å; M146-L214 HydrophobicContact SD-CD1 3.15Å; M146-L214 WeakPolarHBondContact SD-CD1 3.16Å; F149-L214 HydrophobicContact CD1-CB 4.38Å; F149-L214 HydrophobicContact CE1-CB 3.81Å; F182-L214 HydrophobicContact CZ-CD2 4.47Å; L210-L214 HydrophobicContact CD1-CD1 3.67Å; L210-L214 HydrophobicContact CD1-CG 3.88Å; L210-L214 HydrophobicContact CG-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CB 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.19Å; L210-L214 PolarHBondContact O-N 3.11Å; C211-L214 PolarHBondContact O-N 3Å; L214-T218 VanDerWaalsContact O-CB 3.22Å; L214-T218 WeakPolarHBondContact O-CB 2.8Å; L214-T218 PolarHBondContact O-N 3.46Å; L214-T218 PolarHBondContact O-OG1 3.35Å
215Q70.9Confident75.7Confident11 Ų1128 Ų285%0.05114%0.14CC..Hα-helixtrans-61.6-49.3175.9-165.2-175.338.400112F149 P159 C211 V212 V213 T218 A219F149-Q215 HydrophobicContact CZ-CB 4.03Å; P159-Q215 PolarHBondContact O-NE2 3.48Å; C211-Q215 WeakPolarHBondContact O-CB 3.28Å; C211-Q215 PolarHBondContact O-N 3.18Å; V212-Q215 WeakPolarHBondContact O-CB 3.45Å; V212-Q215 PolarHBondContact O-N 3.06Å; V213-Q215 VanDerWaalsContact C-N 3.27Å; V213-Q215 PolarHBondContact O-N 3.48Å; Q215-T218 PolarHBondContact O-N 2.97Å; Q215-A219 WeakPolarHBondContact O-CB 3.46Å; Q215-A219 PolarHBondContact O-N 2.69Å
216V71.1Confident75.8Confident35 Ų3533.9 Ų33.921%0.21218%0.176CC..Hα-helixtrans-63.2-49.2179.5-178.30000110.5V212 V213 T218 A219 S220 L246V212-V216 WeakPolarHBondContact O-CG2 3.31Å; V212-V216 PolarHBondContact O-N 3.4Å; V212-V216 VanDerWaalsContact O-N 3.14Å; V213-V216 PolarHBondContact O-N 3.3Å; V216-T218 PolarHBondContact O-N 2.6Å; V216-A219 PolarHBondContact O-N 3.18Å; V216-S220 WeakPolarHBondContact O-CB 3.4Å; V216-S220 PolarHBondContact O-N 2.95Å; V216-L246 HydrophobicContact CB-CD2 3.46Å; V216-L246 VanDerWaalsContact CB-CD2 3.46Å; V216-L246 HydrophobicContact CG1-CD2 3.37Å; V216-L246 HydrophobicContact CG1-CG 4.35Å; V216-L246 HydrophobicContact CG2-CD2 4.18Å
217L75.9Confident75.5Confident65 Ų6538.9 Ų38.934%0.3420%0.202SC..Hα-helixtrans-58.9-41179.6-76.1175.9000111V213 F221 L246V213-L217 HydrophobicContact CG1-CD1 3.71Å; V213-L217 HydrophobicContact CG1-CG 4.34Å; V213-L217 WeakPolarHBondContact O-CB 3.41Å; V213-L217 WeakPolarHBondContact O-CG 2.8Å; V213-L217 PolarHBondContact O-N 2.84Å; L217-F221 WeakPolarHBondContact O-CB 3.36Å; L217-F221 PolarHBondContact O-N 3.33Å; L217-L246 HydrophobicContact CD1-CD1 4.45Å; L217-L246 HydrophobicContact CD2-CD1 3.63Å; L217-L246 HydrophobicContact CD2-CD2 4.15Å; L217-L246 HydrophobicContact CD2-CG 4.13Å; L217-L246 HydrophobicContact CG-CD1 4.03Å; L217-L246 HydrophobicContact CG-CD2 4.02Å; L217-L246 HydrophobicContact CG-CG 4.49Å
218T74.2Confident75Confident17 Ų1745.4 Ų45.410%0.10424%0.237CC..Hα-helixtrans-66.5-44.1176.9-59.20000112L153 Y180 L214 Q215 V216 F221 R222L153-T218 HydrophobicContact CB-CG2 4.43Å; L153-T218 HydrophobicContact CD1-CG2 3.77Å; Y180-T218 WeakPolarHBondContact OH-CG2 3.4Å; Y180-T218 PolarHBondContact OH-OG1 2.83Å; L214-T218 VanDerWaalsContact O-CB 3.22Å; L214-T218 WeakPolarHBondContact O-CB 2.8Å; L214-T218 PolarHBondContact O-N 3.46Å; L214-T218 PolarHBondContact O-OG1 3.35Å; Q215-T218 PolarHBondContact O-N 2.97Å; V216-T218 PolarHBondContact O-N 2.6Å; T218-F221 PolarHBondContact O-N 2.87Å; T218-R222 HydrophobicContact CG2-CG 4.19Å; T218-R222 WeakPolarHBondContact O-CB 3.22Å; T218-R222 VanDerWaalsContact O-CG 3.29Å; T218-R222 WeakPolarHBondContact O-CG 3.48Å; T218-R222 PolarHBondContact O-N 2.64Å
219A71.3Confident75.1Confident44 Ų4449.5 Ų49.536%0.36426%0.259SS..Hα-helixtrans-60.6-48.6177.900000110.8Q215 V216 F221 R222 E223Q215-A219 WeakPolarHBondContact O-CB 3.46Å; Q215-A219 PolarHBondContact O-N 2.69Å; V216-A219 PolarHBondContact O-N 3.18Å; A219-F221 VanDerWaalsContact C-N 3.31Å; A219-F221 PolarHBondContact O-N 3.01Å; A219-R222 PolarHBondContact O-N 3.07Å; A219-E223 WeakPolarHBondContact O-CG 3.24Å; A219-E223 PolarHBondContact O-N 2.81Å
220S71.9Confident75Confident10 Ų1050.6 Ų50.67%0.0728%0.275CS..Hα-helixtrans-61.3-37.9177.3-173.10000112.9V216 R224V216-S220 WeakPolarHBondContact O-CB 3.4Å; V216-S220 PolarHBondContact O-N 2.95Å; S220-R224 PolarHBondContact O-NH1 3.25Å
221F75Confident74.9Confident68 Ų6860.4 Ų60.430%0.29831%0.312SS..Hα-helixtrans-66.6-46.2174.8-172-85.4000111.5L217 T218 A219 E223 R224 D225 G230 V232L217-F221 WeakPolarHBondContact O-CB 3.36Å; L217-F221 PolarHBondContact O-N 3.33Å; T218-F221 PolarHBondContact O-N 2.87Å; A219-F221 VanDerWaalsContact C-N 3.31Å; A219-F221 PolarHBondContact O-N 3.01Å; F221-E223 VanDerWaalsContact C-N 3.34Å; F221-E223 PolarHBondContact O-N 3.25Å; F221-R224 CarbonylContact O-C 3.55Å; F221-R224 WeakPolarHBondContact O-CA 3.05Å; F221-R224 PolarHBondContact O-N 3.4Å; F221-D225 HydrophobicContact CD1-CB 3.82Å; F221-D225 HydrophobicContact CE1-CB 3.64Å; F221-D225 WeakPolarHBondContact O-CB 3.27Å; F221-D225 PolarHBondContact O-N 2.91Å; F221-G230 WeakPolarHBondContact CZ-O 3.49Å; F221-V232 HydrophobicContact CD1-CG1 4.34Å; F221-V232 HydrophobicContact CD2-CG1 4.27Å; F221-V232 HydrophobicContact CD2-CG2 3.95Å; F221-V232 HydrophobicContact CE1-CG1 4Å; F221-V232 HydrophobicContact CE2-CB 4.32Å; F221-V232 HydrophobicContact CE2-CG1 3.94Å; F221-V232 HydrophobicContact CE2-CG2 3.55Å; F221-V232 HydrophobicContact CG-CG1 4.45Å; F221-V232 HydrophobicContact CZ-CB 4.45Å; F221-V232 HydrophobicContact CZ-CG1 3.77Å; F221-V232 HydrophobicContact CZ-CG2 4.14Å
222R71.9Confident75.2Confident70 Ų7062.2 Ų62.226%0.26432%0.323SS..Hα-helixtrans-66.3-31.1-178.5-79.7-179.7175.8-178.1-5.7114.6L153 D154 T218 A219 R224L153-R222 VanDerWaalsContact C-NH1 3.3Å; L153-R222 VanDerWaalsContact O-CZ 3.25Å; L153-R222 PolarHBondContact O-NH1 3.31Å; L153-R222 PolarHBondContact O-NH2 2.94Å; D154-R222 IonicContact OD1-CZ 3.95Å; D154-R222 IonicContact OD1-NH2 2.72Å; D154-R222 PolarHBondContact OD1-NH2 3.24Å; T218-R222 HydrophobicContact CG2-CG 4.19Å; T218-R222 WeakPolarHBondContact O-CB 3.22Å; T218-R222 VanDerWaalsContact O-CG 3.29Å; T218-R222 WeakPolarHBondContact O-CG 3.48Å; T218-R222 PolarHBondContact O-N 2.64Å; A219-R222 PolarHBondContact O-N 3.07Å; R222-R224 PolarHBondContact O-N 3.28Å
223E74.6Confident76Confident131 Ų13169.2 Ų69.261%0.61237%0.365SS*.THydrogen-bonded Turntrans-59.3-22.6171.2-74.6173.1-17500112.2A219 F221A219-E223 WeakPolarHBondContact O-CG 3.24Å; A219-E223 PolarHBondContact O-N 2.81Å; F221-E223 VanDerWaalsContact C-N 3.34Å; F221-E223 PolarHBondContact O-N 3.25Å
224R74.6Confident76.5Confident71 Ų7171 Ų7127%0.26838%0.377SS..THydrogen-bonded Turntrans-109.7-25.5-176.9-68.4170.4170.475.42113.8S220 F221 R222 T226 V232 M242S220-R224 PolarHBondContact O-NH1 3.25Å; F221-R224 CarbonylContact O-C 3.55Å; F221-R224 WeakPolarHBondContact O-CA 3.05Å; F221-R224 PolarHBondContact O-N 3.4Å; R222-R224 PolarHBondContact O-N 3.28Å; R224-T226 PolarHBondContact O-N 3.3Å; R224-V232 HydrophobicContact CB-CB 4.3Å; R224-V232 HydrophobicContact CB-CG1 3.84Å; R224-M242 WeakPolarHBondContact CD-SD 3.36Å
225D76.6Confident77.2Confident15 Ų1573.1 Ų73.18%0.0839%0.392CS..  trans-77.163.7175.6-173.921.3000110.7F221 D227 L228 D229 G230 V232F221-D225 HydrophobicContact CD1-CB 3.82Å; F221-D225 HydrophobicContact CE1-CB 3.64Å; F221-D225 WeakPolarHBondContact O-CB 3.27Å; F221-D225 PolarHBondContact O-N 2.91Å; D225-D227 VanDerWaalsContact C-N 3.27Å; D225-D227 PolarHBondContact O-N 3.02Å; D225-L228 WeakPolarHBondContact O-CD2 3.11Å; D225-L228 PolarHBondContact O-N 3.43Å; D225-L228 WeakPolarHBondContact OD1-CA 3.38Å; D225-L228 PolarHBondContact OD1-N 3.19Å; D225-D229 PolarHBondContact OD1-N 3.13Å; D225-G230 PolarHBondContact OD1-N 3.47Å; D225-G230 PolarHBondContact OD2-N 3Å; D225-V232 HydrophobicContact CB-CG1 3.76Å
226T75.2Confident78.1Confident127 Ų12781 Ų8178%0.77942%0.423SS*.THydrogen-bonded Turntrans-68.8-23.7-171.6570000114R224R224-T226 PolarHBondContact O-N 3.3Å
227D77.9Confident79.2Confident106 Ų10686.4 Ų86.457%0.56745%0.446SS*.THydrogen-bonded Turntrans-97.3-3.817756.5-11000113.2D225 D229D225-D227 VanDerWaalsContact C-N 3.27Å; D225-D227 PolarHBondContact O-N 3.02Å; D227-D229 PolarHBondContact O-N 3Å
228L71.5Confident79.8Confident138 Ų13887.4 Ų87.472%0.72345%0.449SS*.  trans58.731.1173.7-56.1171.9000113D225D225-L228 WeakPolarHBondContact O-CD2 3.11Å; D225-L228 PolarHBondContact O-N 3.43Å; D225-L228 WeakPolarHBondContact OD1-CA 3.38Å; D225-L228 PolarHBondContact OD1-N 3.19Å
229D77.7Confident80.4Confident90 Ų9091.5 Ų91.548%0.48147%0.465SS..SBendtrans-92.8-9.7-179.986.7-18000112.1D225 D227 W231D225-D229 PolarHBondContact OD1-N 3.13Å; D227-D229 PolarHBondContact O-N 3Å; D229-W231 WeakPolarHBondContact OD1-CA 3.23Å; D229-W231 WeakPolarHBondContact OD1-CB 3.41Å; D229-W231 PolarHBondContact OD1-N 3.36Å
230G75.5Confident81.2Confident40 Ų4091.8 Ų91.841%0.41246%0.46SS..SBendtrans85.914.1-179.400000114.2F221 D225F221-G230 WeakPolarHBondContact CZ-O 3.49Å; D225-G230 PolarHBondContact OD1-N 3.47Å; D225-G230 PolarHBondContact OD2-N 3Å
231W80.1Confident81.7Confident206 Ų20693.9 Ų93.978%0.7847%0.473SS*.  trans-128115.9177.3-63.593.5000111.1D229D229-W231 WeakPolarHBondContact OD1-CA 3.23Å; D229-W231 WeakPolarHBondContact OD1-CB 3.41Å; D229-W231 PolarHBondContact OD1-N 3.36Å
232V83.3Confident81.8Confident38 Ų3891.6 Ų91.623%0.2346%0.463CS..  trans-103.1136.9172.2-60.40000110.7F221 R224 D225 V234F221-V232 HydrophobicContact CD1-CG1 4.34Å; F221-V232 HydrophobicContact CD2-CG1 4.27Å; F221-V232 HydrophobicContact CD2-CG2 3.95Å; F221-V232 HydrophobicContact CE1-CG1 4Å; F221-V232 HydrophobicContact CE2-CB 4.32Å; F221-V232 HydrophobicContact CE2-CG1 3.94Å; F221-V232 HydrophobicContact CE2-CG2 3.55Å; F221-V232 HydrophobicContact CG-CG1 4.45Å; F221-V232 HydrophobicContact CZ-CB 4.45Å; F221-V232 HydrophobicContact CZ-CG1 3.77Å; F221-V232 HydrophobicContact CZ-CG2 4.14Å; R224-V232 HydrophobicContact CB-CB 4.3Å; R224-V232 HydrophobicContact CB-CG1 3.84Å; D225-V232 HydrophobicContact CB-CG1 3.76Å; V232-V234 HydrophobicContact CB-CG1 4.34Å; V232-V234 HydrophobicContact CG2-CG1 4.18Å
233T90.4Very high82Confident149 Ų14990.9 Ų90.991%0.91447%0.467SS*.  trans-99.8114167-59.90000108.5
234V88.1Confident82.1Confident47 Ų4791.4 Ų91.429%0.28547%0.467SS..  trans-130.3149.7180-63.30000110.1V232 E238 F239 M242V232-V234 HydrophobicContact CB-CG1 4.34Å; V232-V234 HydrophobicContact CG2-CG1 4.18Å; V234-E238 HydrophobicContact CB-CB 3.94Å; V234-E238 HydrophobicContact CG1-CB 4.5Å; V234-F239 HydrophobicContact CG2-CB 4.06Å; V234-M242 HydrophobicContact CG1-SD 4.07Å; V234-M242 HydrophobicContact CG2-SD 4.45Å
235S92.9Very high81.6Confident58 Ų5893.3 Ų93.341%0.40648%0.479SS..  trans-66.6162.8167.766.60000111.2E237 E238 F239S235-E237 PolarHBondContact O-N 3.22Å; S235-E238 WeakPolarHBondContact CB-OE2 3.21Å; S235-E238 PolarHBondContact N-OE2 3.11Å; S235-E238 PolarHBondContact O-N 2.9Å; S235-E238 WeakPolarHBondContact OG-CB 3.49Å; S235-E238 VanDerWaalsContact OG-CG 3.27Å; S235-E238 WeakPolarHBondContact OG-CG 3.46Å; S235-E238 PolarHBondContact OG-N 3.13Å; S235-E238 PolarHBondContact OG-OE2 2.94Å; S235-F239 PolarHBondContact O-N 3.35Å
236Y91.4Very high80.9Confident175 Ų17593.9 Ų93.969%0.68648%0.482SS*.Hα-helixtrans-59-37.4175.9178.8-111.9000112.4F239 L240Y236-F239 PolarHBondContact O-N 3.13Å; Y236-L240 HydrophobicContact CD1-CD1 4.11Å; Y236-L240 HydrophobicContact CE1-CD1 3.5Å; Y236-L240 HydrophobicContact CE1-CG 4.13Å; Y236-L240 HydrophobicContact CE2-CD1 4.45Å; Y236-L240 HydrophobicContact CE2-CD2 4.33Å; Y236-L240 HydrophobicContact CE2-CG 4.25Å; Y236-L240 WeakPolarHBondContact O-CG 3.22Å; Y236-L240 PolarHBondContact O-N 3.18Å
237E92.6Very high79.6Confident149 Ų14993.7 Ų93.770%0.69648%0.476SS*.Hα-helixtrans-68.5-41.3177.9-174.4177.3164.700112.1S235 F239 L240 T241S235-E237 PolarHBondContact O-N 3.22Å; E237-F239 VanDerWaalsContact C-N 3.34Å; E237-L240 PolarHBondContact O-N 3.49Å; E237-T241 WeakPolarHBondContact O-CB 3.43Å; E237-T241 PolarHBondContact O-N 2.75Å; E237-T241 PolarHBondContact O-OG1 3.45Å
238E89.6Confident78.2Confident86 Ų8693.3 Ų93.340%0.40247%0.474SS..Hα-helixtrans-64.5-40.1173.7-73.9166.5131.500111.4V234 S235 T241 M242V234-E238 HydrophobicContact CB-CB 3.94Å; V234-E238 HydrophobicContact CG1-CB 4.5Å; S235-E238 WeakPolarHBondContact CB-OE2 3.21Å; S235-E238 PolarHBondContact N-OE2 3.11Å; S235-E238 PolarHBondContact O-N 2.9Å; S235-E238 WeakPolarHBondContact OG-CB 3.49Å; S235-E238 VanDerWaalsContact OG-CG 3.27Å; S235-E238 WeakPolarHBondContact OG-CG 3.46Å; S235-E238 PolarHBondContact OG-N 3.13Å; S235-E238 PolarHBondContact OG-OE2 2.94Å; E238-T241 WeakPolarHBondContact O-CB 3.38Å; E238-T241 PolarHBondContact O-N 3.05Å; E238-M242 WeakPolarHBondContact O-CG 3.37Å; E238-M242 PolarHBondContact O-N 3.05Å
239F87.1Confident78.6Confident104 Ų10491.1 Ų91.146%0.45646%0.461SS..Hα-helixtrans-59.7-49.1173.2169.2-102.2000111.8V234 S235 Y236 E237 T241 M242 V243V234-F239 HydrophobicContact CG2-CB 4.06Å; S235-F239 PolarHBondContact O-N 3.35Å; Y236-F239 PolarHBondContact O-N 3.13Å; E237-F239 VanDerWaalsContact C-N 3.34Å; F239-T241 VanDerWaalsContact C-N 3.28Å; F239-T241 PolarHBondContact O-N 3.24Å; F239-M242 PolarHBondContact O-N 3.28Å; F239-V243 HydrophobicContact CD2-CG2 4.21Å; F239-V243 HydrophobicContact CE1-CG2 4.16Å; F239-V243 HydrophobicContact CE2-CG2 3.71Å; F239-V243 HydrophobicContact CZ-CG2 3.69Å; F239-V243 WeakPolarHBondContact O-CG2 3.47Å; F239-V243 PolarHBondContact O-N 3.47Å
240L87.9Confident78.6Confident49 Ų4991.1 Ų91.126%0.25746%0.46SS..Hα-helixtrans-60.2-40.3175.8-71.7-176.8000111.4Y236 E237 V243 F244Y236-L240 HydrophobicContact CD1-CD1 4.11Å; Y236-L240 HydrophobicContact CE1-CD1 3.5Å; Y236-L240 HydrophobicContact CE1-CG 4.13Å; Y236-L240 HydrophobicContact CE2-CD1 4.45Å; Y236-L240 HydrophobicContact CE2-CD2 4.33Å; Y236-L240 HydrophobicContact CE2-CG 4.25Å; Y236-L240 WeakPolarHBondContact O-CG 3.22Å; Y236-L240 PolarHBondContact O-N 3.18Å; E237-L240 PolarHBondContact O-N 3.49Å; L240-V243 PolarHBondContact O-N 3.1Å; L240-F244 HydrophobicContact CB-CD2 4.11Å; L240-F244 HydrophobicContact CB-CE2 4.08Å; L240-F244 HydrophobicContact CD2-CE2 4.02Å; L240-F244 HydrophobicContact CG-CE2 4.46Å; L240-F244 WeakPolarHBondContact O-CB 3.34Å; L240-F244 WeakPolarHBondContact O-CD2 3.31Å; L240-F244 WeakPolarHBondContact O-CG 3.33Å; L240-F244 PolarHBondContact O-N 2.97Å
241T82.7Confident78.8Confident54 Ų5493.9 Ų93.933%0.33146%0.463SS..Hα-helixtrans-61.6-45.2176-59.30000111.2E237 E238 F239 V243 F244 Q245E237-T241 WeakPolarHBondContact O-CB 3.43Å; E237-T241 PolarHBondContact O-N 2.75Å; E237-T241 PolarHBondContact O-OG1 3.45Å; E238-T241 WeakPolarHBondContact O-CB 3.38Å; E238-T241 PolarHBondContact O-N 3.05Å; F239-T241 VanDerWaalsContact C-N 3.28Å; F239-T241 PolarHBondContact O-N 3.24Å; T241-V243 VanDerWaalsContact C-N 3.3Å; T241-V243 PolarHBondContact O-N 2.81Å; T241-F244 PolarHBondContact O-N 3Å; T241-Q245 HydrophobicContact CG2-CG 4.08Å; T241-Q245 VanDerWaalsContact O-CB 3.22Å; T241-Q245 WeakPolarHBondContact O-CB 3.37Å; T241-Q245 WeakPolarHBondContact O-CG 3.43Å; T241-Q245 PolarHBondContact O-N 3.49Å
242M77.1Confident78.7Confident20 Ų2087.4 Ų87.410%0.09944%0.444CS..Hα-helixtrans-60.8-40.3175.9-68.5168.269.200112R224 V234 E238 F239R224-M242 WeakPolarHBondContact CD-SD 3.36Å; V234-M242 HydrophobicContact CG1-SD 4.07Å; V234-M242 HydrophobicContact CG2-SD 4.45Å; E238-M242 WeakPolarHBondContact O-CG 3.37Å; E238-M242 PolarHBondContact O-N 3.05Å; F239-M242 PolarHBondContact O-N 3.28Å
243V75.8Confident78.4Confident55 Ų5590.4 Ų90.433%0.33346%0.457SS..Hα-helixtrans-73.6-37179.7174.40000111.9F239 L240 T241 L246F239-V243 HydrophobicContact CD2-CG2 4.21Å; F239-V243 HydrophobicContact CE1-CG2 4.16Å; F239-V243 HydrophobicContact CE2-CG2 3.71Å; F239-V243 HydrophobicContact CZ-CG2 3.69Å; F239-V243 WeakPolarHBondContact O-CG2 3.47Å; F239-V243 PolarHBondContact O-N 3.47Å; L240-V243 PolarHBondContact O-N 3.1Å; T241-V243 VanDerWaalsContact C-N 3.3Å; T241-V243 PolarHBondContact O-N 2.81Å; V243-L246 VanDerWaalsContact O-CB 3.23Å; V243-L246 WeakPolarHBondContact O-CB 3.4Å; V243-L246 WeakPolarHBondContact O-CD1 3.1Å; V243-L246 WeakPolarHBondContact O-CG 3.35Å
244F76.2Confident77.6Confident143 Ų14386.5 Ų86.563%0.62743%0.427SS*.Hα-helixtrans-87.6-20.2-179-68.3-50.8000114.2L240 T241 L246L240-F244 HydrophobicContact CB-CD2 4.11Å; L240-F244 HydrophobicContact CB-CE2 4.08Å; L240-F244 HydrophobicContact CD2-CE2 4.02Å; L240-F244 HydrophobicContact CG-CE2 4.46Å; L240-F244 WeakPolarHBondContact O-CB 3.34Å; L240-F244 WeakPolarHBondContact O-CD2 3.31Å; L240-F244 WeakPolarHBondContact O-CG 3.33Å; L240-F244 PolarHBondContact O-N 2.97Å; T241-F244 PolarHBondContact O-N 3Å; F244-L246 CarbonylContact O-C 3.37Å; F244-L246 PolarHBondContact O-N 3.46Å
245Q64.8Low76.8Confident110 Ų11089.4 Ų89.451%0.51444%0.437SS..SBendtrans-65.1-14.4167.6-79.9177.4-11.700112.2T241 N247T241-Q245 HydrophobicContact CG2-CG 4.08Å; T241-Q245 VanDerWaalsContact O-CB 3.22Å; T241-Q245 WeakPolarHBondContact O-CB 3.37Å; T241-Q245 WeakPolarHBondContact O-CG 3.43Å; T241-Q245 PolarHBondContact O-N 3.49Å; Q245-N247 PolarHBondContact O-N 3.39Å
246L60.3Low75.6Confident27 Ų2791.8 Ų91.814%0.14144%0.44CS..SBendtrans-63.286.1153.4-59.9168.2000107.6V216 L217 V243 F244 L248V216-L246 HydrophobicContact CB-CD2 3.46Å; V216-L246 VanDerWaalsContact CB-CD2 3.46Å; V216-L246 HydrophobicContact CG1-CD2 3.37Å; V216-L246 HydrophobicContact CG1-CG 4.35Å; V216-L246 HydrophobicContact CG2-CD2 4.18Å; L217-L246 HydrophobicContact CD1-CD1 4.45Å; L217-L246 HydrophobicContact CD2-CD1 3.63Å; L217-L246 HydrophobicContact CD2-CD2 4.15Å; L217-L246 HydrophobicContact CD2-CG 4.13Å; L217-L246 HydrophobicContact CG-CD1 4.03Å; L217-L246 HydrophobicContact CG-CD2 4.02Å; L217-L246 HydrophobicContact CG-CG 4.49Å; V243-L246 VanDerWaalsContact O-CB 3.23Å; V243-L246 WeakPolarHBondContact O-CB 3.4Å; V243-L246 WeakPolarHBondContact O-CD1 3.1Å; V243-L246 WeakPolarHBondContact O-CG 3.35Å; F244-L246 CarbonylContact O-C 3.37Å; F244-L246 PolarHBondContact O-N 3.46Å; L246-L248 HydrophobicContact CB-CG 4.23Å; L246-L248 PolarHBondContact O-N 2.86Å
247N49.5Very low74.3Confident123 Ų12384.8 Ų84.866%0.65842%0.419SS*.  trans-66.277.2160.8-74.3-17000107.2R47 Q245R47-N247 VanDerWaalsContact NH2-C 3.26Å; R47-N247 PolarHBondContact NH2-O 3.21Å; Q245-N247 PolarHBondContact O-N 3.39Å
248L48.2Very low72.6Confident98 Ų9879 Ų7951%0.51339%0.394SS..  trans-890151.8-53.8175000105.6E44 R47 I48 V213 L246E44-L248 HydrophobicContact CG-CB 4.1Å; E44-L248 VanDerWaalsContact OE1-CA 3.27Å; E44-L248 WeakPolarHBondContact OE1-CA 3.41Å; E44-L248 VanDerWaalsContact OE2-OXT 3.13Å; R47-L248 PolarHBondContact NE-OXT 2.92Å; R47-L248 PolarHBondContact NH2-OXT 2.84Å; I48-L248 HydrophobicContact CD1-CD2 3.2Å; I48-L248 HydrophobicContact CG1-CD2 4.1Å; V213-L248 HydrophobicContact CG2-CD1 4.1Å; V213-L248 HydrophobicContact CG2-CD2 3.83Å; L246-L248 HydrophobicContact CB-CG 4.23Å; L246-L248 PolarHBondContact O-N 2.86Å

Retrieved 248 of 248 residues in 182 ms (Link to these results)

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