A0A077Z2C0_TRITR Loading...

Rhomboid domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2C0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M41Very low63Low169 Ų169127.5 Ų127.583%0.83356%0.555SS**  0115.70-79.8159.4164.700107.4R3 A101M1-R3 PolarHBondContact O-N 2.75Å; M1-A101 HydrophobicContact CE-CB 3.89Å; M1-A101 HydrophobicContact SD-CB 3.9Å
2R43.9Very low65.5Low248 Ų248118.4 Ų118.494%0.93652%0.518SS*.  trans-81.496.9179.8-170177.8-178.5-179.9-0107N4R2-N4 PolarHBondContact O-N 2.91Å
3R53.9Low67.8Low84 Ų84117.7 Ų117.732%0.31752%0.522SS..  trans-64.8107.4179.4-174170164.1-144.7-8108.7M1 R5 Q9 Y42 L43M1-R3 PolarHBondContact O-N 2.75Å; R3-R5 VanDerWaalsContact C-N 3.26Å; R3-R5 PolarHBondContact O-N 3.28Å; R3-Q9 VanDerWaalsContact NH2-NE2 3.11Å; R3-Y42 PolarHBondContact NH1-O 2.95Å; R3-Y42 PolarHBondContact NH2-O 3.1Å; R3-L43 VanDerWaalsContact NH1-C 3.26Å; R3-L43 PolarHBondContact NH1-O 3.18Å; R3-L43 PolarHBondContact NH2-O 3.31Å; R3-L43 VanDerWaalsContact NH2-O 3.09Å
4N49.6Very low69.8Low96 Ų96113.9 Ų113.951%0.51351%0.509SS..  trans-73.184.6177.4-151.116.4000107.5R2 R6 E7R2-N4 PolarHBondContact O-N 2.91Å; N4-R6 PolarHBondContact O-N 2.94Å; N4-E7 PolarHBondContact ND2-OE1 3.25Å; N4-E7 PolarHBondContact O-N 2.92Å
5R54.8Low71.6Confident166 Ų166106.5 Ų106.563%0.62648%0.476SS*.THydrogen-bonded Turntrans-55.6-1.7-178.2-82.2-170.6-176.9-165.3-0.5114.8R3 D50R3-R5 VanDerWaalsContact C-N 3.26Å; R3-R5 PolarHBondContact O-N 3.28Å; R5-D50 IonicContact NH2-OD2 3.5Å
6R51.3Low73.1Confident233 Ų233104.4 Ų104.488%0.87947%0.474SS*.THydrogen-bonded Turntrans-96.8-8.1-177.9-64.3-172.9-175.1-170.21.5114.3N4N4-R6 PolarHBondContact O-N 2.94Å
7E62.1Low74.4Confident134 Ų134105.5 Ų105.563%0.62648%0.48SS*.SBendtrans-86.1135.8174.6-77.8163.4-14600110.5N4 Q9N4-E7 PolarHBondContact ND2-OE1 3.25Å; N4-E7 PolarHBondContact O-N 2.92Å; E7-Q9 PolarHBondContact O-N 3.14Å
8I68.5Low75.6Confident127 Ų127103.2 Ų103.265%0.65147%0.47SS*.  trans-56.3122.9172.4-63171.7000106.7I10 L13I8-I10 HydrophobicContact CB-CG1 4.37Å; I8-I10 HydrophobicContact CG2-CG1 3.96Å; I8-I10 PolarHBondContact O-N 2.87Å; I8-L13 HydrophobicContact CG2-CD1 3.72Å
9Q84Confident76.7Confident48 Ų4898.9 Ų98.922%0.22445%0.451CS..  trans-78.972.1-179.5-61.4178.729.400109.4R3 E7 G11 V12 L13R3-Q9 VanDerWaalsContact NH2-NE2 3.11Å; E7-Q9 PolarHBondContact O-N 3.14Å; Q9-G11 PolarHBondContact O-N 3.24Å; Q9-V12 HydrophobicContact CB-CB 4.11Å; Q9-V12 HydrophobicContact CB-CG2 4.02Å; Q9-V12 PolarHBondContact O-N 3.35Å; Q9-L13 PolarHBondContact O-N 3.11Å; Q9-L13 VanDerWaalsContact O-N 3.14Å
10I91.2Very high77.7Confident97 Ų9799.8 Ų99.850%0.49746%0.458SS..Hα-helixtrans-54.4-40.7-175.3-65.4169.9000109.7I8 V12 L13 L14 D103I8-I10 HydrophobicContact CB-CG1 4.37Å; I8-I10 HydrophobicContact CG2-CG1 3.96Å; I8-I10 PolarHBondContact O-N 2.87Å; I10-V12 VanDerWaalsContact C-N 3.31Å; I10-V12 PolarHBondContact O-N 3.48Å; I10-L13 PolarHBondContact O-N 3.08Å; I10-L13 VanDerWaalsContact O-N 3.16Å; I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.1Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 3.4Å; I10-D103 PolarHBondContact N-OD2 3.19Å; I10-D103 VanDerWaalsContact N-OD2 3.14Å
11G92.4Very high78.6Confident0 Ų098.4 Ų98.40%046%0.464CS..Hα-helixtrans-59.4-38.5177.600000113.7Q9 L15 D103 Y107Q9-G11 PolarHBondContact O-N 3.24Å; G11-L15 WeakPolarHBondContact O-CB 3.24Å; G11-L15 PolarHBondContact O-N 3.48Å; G11-D103 PolarHBondContact N-OD2 3.1Å; G11-Y107 WeakPolarHBondContact O-CD2 3.37Å
12V93.7Very high81.1Confident19 Ų1994 Ų9412%0.11544%0.439CS..Hα-helixtrans-70.1-39.9176.8178.10000111Q9 I10 L15 V16 T39 Y42 L106Q9-V12 HydrophobicContact CB-CB 4.11Å; Q9-V12 HydrophobicContact CB-CG2 4.02Å; Q9-V12 PolarHBondContact O-N 3.35Å; I10-V12 VanDerWaalsContact C-N 3.31Å; I10-V12 PolarHBondContact O-N 3.48Å; V12-L15 WeakPolarHBondContact O-CB 3.19Å; V12-L15 PolarHBondContact O-N 3.12Å; V12-V16 WeakPolarHBondContact O-CG2 3.28Å; V12-V16 PolarHBondContact O-N 3.37Å; V12-T39 HydrophobicContact CG1-CG2 4.07Å; V12-Y42 HydrophobicContact CG2-CD1 4.12Å; V12-Y42 HydrophobicContact CG2-CE1 4.15Å; V12-L106 HydrophobicContact CG2-CD2 4.07Å
13L94.8Very high83.6Confident109 Ų10982.7 Ų82.757%0.57140%0.399SS*.Hα-helixtrans-63.9-42.9175.8-67.1174.6000111.7I8 Q9 I10 L15 V16 H17I8-L13 HydrophobicContact CG2-CD1 3.72Å; Q9-L13 PolarHBondContact O-N 3.11Å; Q9-L13 VanDerWaalsContact O-N 3.14Å; I10-L13 PolarHBondContact O-N 3.08Å; I10-L13 VanDerWaalsContact O-N 3.16Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 2.91Å; L13-V16 PolarHBondContact O-N 3.05Å; L13-H17 PolarHBondContact O-N 3.12Å
14L96Very high85.5Confident65 Ų6581.9 Ų81.934%0.3440%0.403SS..Hα-helixtrans-62.3-39.9174.6-68.6174.1000111.4I10 V16 H17 E18 M104 Y107I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.1Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 3.4Å; L14-V16 PolarHBondContact O-N 3.37Å; L14-H17 WeakPolarHBondContact O-CB 3.34Å; L14-H17 PolarHBondContact O-N 3.22Å; L14-E18 WeakPolarHBondContact O-CB 3.41Å; L14-E18 PolarHBondContact O-N 3.37Å; L14-M104 HydrophobicContact CD1-CE 4.4Å; L14-M104 HydrophobicContact CD1-SD 4.39Å; L14-Y107 HydrophobicContact CB-CD2 3.65Å; L14-Y107 HydrophobicContact CB-CE1 4.46Å; L14-Y107 HydrophobicContact CB-CE2 3.39Å; L14-Y107 HydrophobicContact CB-CG 4.3Å; L14-Y107 HydrophobicContact CD1-CE1 4.31Å
15L96.4Very high87.6Confident2 Ų284.8 Ų84.81%0.0141%0.414CS..Hα-helixtrans-62.6-43.1176-179.957.6000111.8G11 V12 L13 H17 E18 L19 I35 T39 Y107 M110 V111G11-L15 WeakPolarHBondContact O-CB 3.24Å; G11-L15 PolarHBondContact O-N 3.48Å; V12-L15 WeakPolarHBondContact O-CB 3.19Å; V12-L15 PolarHBondContact O-N 3.12Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 2.91Å; L15-H17 VanDerWaalsContact C-N 3.35Å; L15-E18 PolarHBondContact O-N 3.45Å; L15-L19 HydrophobicContact CD1-CD1 4.41Å; L15-L19 HydrophobicContact CD1-CG 4.37Å; L15-L19 HydrophobicContact CG-CD1 4.23Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.14Å; L15-I35 HydrophobicContact CD1-CG2 4.37Å; L15-I35 HydrophobicContact CD2-CG2 4.09Å; L15-T39 WeakPolarHBondContact CD2-OG1 3.29Å; L15-Y107 HydrophobicContact CB-CD2 4Å; L15-M110 HydrophobicContact CD1-CB 3.59Å; L15-M110 HydrophobicContact CD2-CB 3.74Å; L15-M110 HydrophobicContact CD2-CG 3.9Å; L15-M110 HydrophobicContact CG-CB 4.33Å; L15-V111 HydrophobicContact CD1-CG2 4.26Å
16V95.7Very high89.5Confident74 Ų7485.1 Ų85.145%0.44842%0.415SS..Hα-helixtrans-62.6-44.2175.8171.60000110.6V12 L13 L14 E18 L19 I20V12-V16 WeakPolarHBondContact O-CG2 3.28Å; V12-V16 PolarHBondContact O-N 3.37Å; L13-V16 PolarHBondContact O-N 3.05Å; L14-V16 PolarHBondContact O-N 3.37Å; V16-E18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-I20 HydrophobicContact CG1-CD1 3.88Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 2.92Å
17H96.2Very high91.6Very high122 Ų12274.5 Ų74.557%0.56538%0.376SS*.Hα-helixtrans-58.2-46.8175.1177.1-84.5000111.6L13 L14 L15 L19 I20 A21L13-H17 PolarHBondContact O-N 3.12Å; L14-H17 WeakPolarHBondContact O-CB 3.34Å; L14-H17 PolarHBondContact O-N 3.22Å; L15-H17 VanDerWaalsContact C-N 3.35Å; H17-L19 PolarHBondContact O-N 3.37Å; H17-I20 PolarHBondContact O-N 3.3Å; H17-A21 WeakPolarHBondContact O-CB 3.33Å; H17-A21 PolarHBondContact O-N 2.88Å
18E96.1Very high93.3Very high65 Ų6569 Ų6930%0.30435%0.352SS..Hα-helixtrans-64-40.5179.6-164.264.6-161.300112.1L14 L15 V16 I20 A21 Y22 V111L14-E18 WeakPolarHBondContact O-CB 3.41Å; L14-E18 PolarHBondContact O-N 3.37Å; L15-E18 PolarHBondContact O-N 3.45Å; V16-E18 PolarHBondContact O-N 2.83Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 PolarHBondContact O-N 3.21Å; E18-A21 PolarHBondContact O-N 3.29Å; E18-Y22 VanDerWaalsContact O-CB 3.25Å; E18-Y22 WeakPolarHBondContact O-CB 3.49Å; E18-Y22 PolarHBondContact O-N 3.38Å; E18-V111 HydrophobicContact CB-CG2 4.25Å; E18-V111 HydrophobicContact CG-CG1 4.25Å; E18-V111 HydrophobicContact CG-CG2 3.92Å
19L96.2Very high94.7Very high21 Ų2167 Ų6711%0.1135%0.347CS..Hα-helixtrans-63.7-38.9175.4-76.8170.4000112.5L15 V16 H17 G23 V24 V27 L32 I35 L114L15-L19 HydrophobicContact CD1-CD1 4.41Å; L15-L19 HydrophobicContact CD1-CG 4.37Å; L15-L19 HydrophobicContact CG-CD1 4.23Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.14Å; V16-L19 PolarHBondContact O-N 3.43Å; H17-L19 PolarHBondContact O-N 3.37Å; L19-G23 CarbonylContact O-C 3.6Å; L19-G23 PolarHBondContact O-N 3.37Å; L19-G23 VanDerWaalsContact O-N 3.12Å; L19-V24 HydrophobicContact CB-CG2 4.21Å; L19-V24 WeakPolarHBondContact O-CG2 3.33Å; L19-V24 PolarHBondContact O-N 2.99Å; L19-V27 HydrophobicContact CD2-CG2 4.45Å; L19-L32 HydrophobicContact CD2-CD1 4.47Å; L19-I35 HydrophobicContact CD1-CG2 4.09Å; L19-I35 HydrophobicContact CD2-CD1 4.29Å; L19-L114 HydrophobicContact CD2-CD1 4.24Å; L19-L114 HydrophobicContact CD2-CD2 4.12Å
20I95.9Very high95.3Very high117 Ų11764.8 Ų64.860%0.634%0.338SS*.Hα-helixtrans-67.5-46.2175-67.4166.7000110.1V16 H17 E18 Y22 G23V16-I20 HydrophobicContact CG1-CD1 3.88Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 2.92Å; H17-I20 PolarHBondContact O-N 3.3Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 PolarHBondContact O-N 3.21Å; I20-Y22 PolarHBondContact O-N 2.94Å; I20-G23 PolarHBondContact O-N 3.03Å; I20-G23 VanDerWaalsContact O-N 3.08Å
21A96.2Very high95.7Very high70 Ų7060.2 Ų60.258%0.57931%0.314SS*.Hα-helixtrans-63.2-39.9179.500000112.5H17 E18 G23H17-A21 WeakPolarHBondContact O-CB 3.33Å; H17-A21 PolarHBondContact O-N 2.88Å; E18-A21 PolarHBondContact O-N 3.29Å; A21-G23 VanDerWaalsContact C-N 3.25Å; A21-G23 PolarHBondContact O-N 3.23Å
22Y94.5Very high95.9Very high77 Ų7762.2 Ų62.230%0.30233%0.325SS..Hα-helixtrans-64.7-32.5173.2-169.3-86.3000112.1E18 I20 R26 V27 L114 A118E18-Y22 VanDerWaalsContact O-CB 3.25Å; E18-Y22 WeakPolarHBondContact O-CB 3.49Å; E18-Y22 PolarHBondContact O-N 3.38Å; I20-Y22 PolarHBondContact O-N 2.94Å; Y22-R26 HydrophobicContact CD1-CB 4.48Å; Y22-R26 HydrophobicContact CE1-CB 4.13Å; Y22-V27 HydrophobicContact CD1-CG2 3.62Å; Y22-V27 HydrophobicContact CE1-CG2 3.93Å; Y22-L114 HydrophobicContact CD1-CD1 4.25Å; Y22-L114 HydrophobicContact CD2-CD2 3.97Å; Y22-L114 HydrophobicContact CD2-CG 4.2Å; Y22-L114 HydrophobicContact CE1-CD1 4.35Å; Y22-L114 HydrophobicContact CE2-CG 4.4Å; Y22-L114 HydrophobicContact CG-CD1 4.39Å; Y22-L114 HydrophobicContact CG-CD2 3.94Å; Y22-L114 HydrophobicContact CG-CG 4.36Å; Y22-A118 WeakPolarHBondContact OH-CB 3.21Å
23G95.4Very high96.1Very high10 Ų1064.1 Ų64.110%0.10334%0.342CS..  trans89.297.4-172.300000110.8L19 I20 A21 H25 R26L19-G23 CarbonylContact O-C 3.6Å; L19-G23 PolarHBondContact O-N 3.37Å; L19-G23 VanDerWaalsContact O-N 3.12Å; I20-G23 PolarHBondContact O-N 3.03Å; I20-G23 VanDerWaalsContact O-N 3.08Å; A21-G23 VanDerWaalsContact C-N 3.25Å; A21-G23 PolarHBondContact O-N 3.23Å; G23-H25 PolarHBondContact O-N 2.91Å; G23-R26 WeakPolarHBondContact O-CB 3.35Å; G23-R26 PolarHBondContact O-N 3.13Å
24V93.7Very high96.2Very high67 Ų6759.9 Ų59.941%0.40632%0.32SS..G310 helixtrans-50.6-36.6-176.6-178.80000113.2L19 R26 V27 L32L19-V24 HydrophobicContact CB-CG2 4.21Å; L19-V24 WeakPolarHBondContact O-CG2 3.33Å; L19-V24 PolarHBondContact O-N 2.99Å; V24-R26 PolarHBondContact O-N 3.41Å; V24-V27 PolarHBondContact O-N 3.35Å; V24-V27 VanDerWaalsContact O-N 3.14Å; V24-L32 HydrophobicContact CG1-CD1 4.2Å; V24-L32 HydrophobicContact CG1-CD2 3.91Å
25H94Very high96.3Very high158 Ų15856.8 Ų56.873%0.73130%0.304SS*.G310 helixtrans-65.9-15.7178.363.6-85000114.3G23G23-H25 PolarHBondContact O-N 2.91Å
26R94.6Very high96.3Very high172 Ų17259.9 Ų59.965%0.64932%0.323SS*.G310 helixtrans-94-10.7177.3-54.7-177.5-179.5171.2-5.5112.6Y22 G23 V24 P28Y22-R26 HydrophobicContact CD1-CB 4.48Å; Y22-R26 HydrophobicContact CE1-CB 4.13Å; G23-R26 WeakPolarHBondContact O-CB 3.35Å; G23-R26 PolarHBondContact O-N 3.13Å; V24-R26 PolarHBondContact O-N 3.41Å; R26-P28 WeakPolarHBondContact O-CD 3.48Å
27V96.9Very high96.3Very high10 Ų1060.2 Ų60.26%0.06132%0.318CS..SBendtrans-78124.4-179-171.90000108.6L19 Y22 V24 T31 L32 L114L19-V27 HydrophobicContact CD2-CG2 4.45Å; Y22-V27 HydrophobicContact CD1-CG2 3.62Å; Y22-V27 HydrophobicContact CE1-CG2 3.93Å; V24-V27 PolarHBondContact O-N 3.35Å; V24-V27 VanDerWaalsContact O-N 3.14Å; V27-T31 HydrophobicContact CG1-CG2 4.01Å; V27-L32 HydrophobicContact CB-CB 4.22Å; V27-L32 HydrophobicContact CG1-CB 3.78Å; V27-L32 HydrophobicContact CG1-CD1 4.47Å; V27-L114 HydrophobicContact CB-CD1 4.32Å; V27-L114 HydrophobicContact CG1-CD1 3.65Å; V27-L114 HydrophobicContact CG2-CD1 3.69Å
28P97.4Very high96.2Very high18 Ų1854.4 Ų54.412%0.11729%0.291CS..  trans-56.5144.7175.2-30.640.8000112.2R26 G30 T31 L32 E121 P122R26-P28 WeakPolarHBondContact O-CD 3.48Å; P28-G30 PolarHBondContact O-N 3.29Å; P28-T31 WeakPolarHBondContact O-CB 3.06Å; P28-T31 PolarHBondContact O-N 3.19Å; P28-L32 PolarHBondContact O-N 3.42Å; P28-E121 HydrophobicContact CB-CB 3.84Å; P28-E121 HydrophobicContact CB-CG 3.8Å; P28-E121 VanDerWaalsContact CB-OE2 3.24Å; P28-E121 WeakPolarHBondContact CB-OE2 3.5Å; P28-E121 HydrophobicContact CG-CB 4.32Å; P28-P122 HydrophobicContact CG-CG 4Å
29P97.5Very high96.1Very high86 Ų8652.3 Ų52.356%0.55828%0.283SS*.Hα-helixtrans-63.5-37.2-165.222.8-33.5000113.7A33 E121 T126P29-A33 VanDerWaalsContact O-CB 3.22Å; P29-A33 WeakPolarHBondContact O-CB 3.35Å; P29-A33 PolarHBondContact O-N 3.1Å; P29-E121 WeakPolarHBondContact CD-OE1 3.29Å; P29-T126 HydrophobicContact CG-CG2 4.17Å
30G97.4Very high95.8Very high2 Ų254.5 Ų54.52%0.02129%0.294CS..Hα-helixtrans-68.2-41.7177.800000112.5P28 A33 L34 E121P28-G30 PolarHBondContact O-N 3.29Å; G30-A33 PolarHBondContact O-N 2.98Å; G30-L34 WeakPolarHBondContact O-CB 3.27Å; G30-L34 WeakPolarHBondContact O-CG 3.28Å; G30-L34 PolarHBondContact O-N 3.16Å; G30-E121 WeakPolarHBondContact CA-OE1 3.4Å; G30-E121 WeakPolarHBondContact CA-OE2 3.39Å; G30-E121 PolarHBondContact N-OE1 2.92Å; G30-E121 PolarHBondContact N-OE2 3.33Å
31T98.2Very high95.4Very high0 Ų049.3 Ų49.30%027%0.269CS..Hα-helixtrans-61.9-49.4175.8-60.40000110V27 P28 A33 L34 I35 F113 G117 E121V27-T31 HydrophobicContact CG1-CG2 4.01Å; P28-T31 WeakPolarHBondContact O-CB 3.06Å; P28-T31 PolarHBondContact O-N 3.19Å; T31-A33 PolarHBondContact O-N 3.37Å; T31-L34 PolarHBondContact O-N 3.48Å; T31-I35 HydrophobicContact CG2-CD1 4.07Å; T31-I35 WeakPolarHBondContact O-CG1 3.44Å; T31-I35 PolarHBondContact O-N 2.95Å; T31-F113 HydrophobicContact CG2-CD1 4.24Å; T31-F113 HydrophobicContact CG2-CE1 3.84Å; T31-F113 HydrophobicContact CG2-CZ 4.2Å; T31-G117 WeakPolarHBondContact OG1-CA 3.39Å; T31-E121 WeakPolarHBondContact CB-OE2 3.15Å; T31-E121 PolarHBondContact N-OE2 2.93Å; T31-E121 PolarHBondContact OG1-OE2 3.44Å
32L98.1Very high95Very high43 Ų4347.4 Ų47.423%0.22525%0.247CC..Hα-helixtrans-60.8-46.5176.6-176.660.2000111.4L19 V24 V27 P28 L34 I35 V36L19-L32 HydrophobicContact CD2-CD1 4.47Å; V24-L32 HydrophobicContact CG1-CD1 4.2Å; V24-L32 HydrophobicContact CG1-CD2 3.91Å; V27-L32 HydrophobicContact CB-CB 4.22Å; V27-L32 HydrophobicContact CG1-CB 3.78Å; V27-L32 HydrophobicContact CG1-CD1 4.47Å; P28-L32 PolarHBondContact O-N 3.42Å; L32-L34 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 2.91Å; L32-I35 PolarHBondContact O-N 3.41Å; L32-V36 HydrophobicContact CD1-CG2 4.23Å; L32-V36 HydrophobicContact CG-CG2 4.47Å; L32-V36 WeakPolarHBondContact O-CG2 3.24Å; L32-V36 PolarHBondContact O-N 2.93Å
33A97.3Very high94.7Very high58 Ų5845.8 Ų45.848%0.47924%0.243SC..Hα-helixtrans-59-41.617900000112.1P29 G30 T31 F37P29-A33 VanDerWaalsContact O-CB 3.22Å; P29-A33 WeakPolarHBondContact O-CB 3.35Å; P29-A33 PolarHBondContact O-N 3.1Å; G30-A33 PolarHBondContact O-N 2.98Å; T31-A33 PolarHBondContact O-N 3.37Å; A33-F37 WeakPolarHBondContact O-CB 3.45Å; A33-F37 PolarHBondContact O-N 2.86Å
34L97.4Very high93.9Very high20 Ų2045.5 Ų45.511%0.10524%0.241CC..Hα-helixtrans-70.5-36.2177.6-79.1169.7000113.2G30 T31 L32 Q38 F113 L130 I133G30-L34 WeakPolarHBondContact O-CB 3.27Å; G30-L34 WeakPolarHBondContact O-CG 3.28Å; G30-L34 PolarHBondContact O-N 3.16Å; T31-L34 PolarHBondContact O-N 3.48Å; L32-L34 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 2.91Å; L34-Q38 WeakPolarHBondContact O-CB 3.22Å; L34-Q38 VanDerWaalsContact O-CG 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.09Å; L34-Q38 PolarHBondContact O-N 3.2Å; L34-Q38 PolarHBondContact O-NE2 3.39Å; L34-F113 HydrophobicContact CB-CE1 3.69Å; L34-F113 HydrophobicContact CB-CZ 4.08Å; L34-F113 HydrophobicContact CD1-CE1 4.2Å; L34-F113 HydrophobicContact CD1-CZ 3.69Å; L34-L130 HydrophobicContact CD1-CD2 3.55Å; L34-L130 HydrophobicContact CG-CD2 3.88Å; L34-I133 HydrophobicContact CD1-CB 4.15Å; L34-I133 HydrophobicContact CD1-CG1 3.89Å; L34-I133 HydrophobicContact CD1-CG2 3.81Å
35I97.7Very high93.4Very high1 Ų149.3 Ų49.31%0.00525%0.252CS..Hα-helixtrans-63.9-48.5173.5-69.2169.2000110L15 L19 T31 L32 Q38 T39 M110 F113 L114L15-I35 HydrophobicContact CD1-CG2 4.37Å; L15-I35 HydrophobicContact CD2-CG2 4.09Å; L19-I35 HydrophobicContact CD1-CG2 4.09Å; L19-I35 HydrophobicContact CD2-CD1 4.29Å; T31-I35 HydrophobicContact CG2-CD1 4.07Å; T31-I35 WeakPolarHBondContact O-CG1 3.44Å; T31-I35 PolarHBondContact O-N 2.95Å; L32-I35 PolarHBondContact O-N 3.41Å; I35-Q38 PolarHBondContact O-N 3.31Å; I35-T39 WeakPolarHBondContact O-CB 3.4Å; I35-T39 PolarHBondContact O-N 3.36Å; I35-T39 PolarHBondContact O-OG1 3.28Å; I35-M110 HydrophobicContact CB-SD 4.38Å; I35-M110 HydrophobicContact CG1-CB 4.47Å; I35-M110 HydrophobicContact CG1-SD 4.11Å; I35-M110 HydrophobicContact CG2-CB 4.28Å; I35-M110 HydrophobicContact CG2-CG 4.36Å; I35-M110 HydrophobicContact CG2-SD 4.49Å; I35-F113 HydrophobicContact CD1-CD1 4.26Å; I35-F113 HydrophobicContact CG1-CD1 3.73Å; I35-F113 HydrophobicContact CG1-CE1 4.11Å; I35-L114 HydrophobicContact CD1-CB 3.92Å; I35-L114 HydrophobicContact CD1-CD1 4.04Å
36V96.2Very high92.5Very high67 Ų6743.5 Ų43.541%0.40623%0.226SC..Hα-helixtrans-62.3-48.2178.4171.90000110.5L32 Q38 T39 L40L32-V36 HydrophobicContact CD1-CG2 4.23Å; L32-V36 HydrophobicContact CG-CG2 4.47Å; L32-V36 WeakPolarHBondContact O-CG2 3.24Å; L32-V36 PolarHBondContact O-N 2.93Å; V36-Q38 PolarHBondContact O-N 3.29Å; V36-T39 PolarHBondContact O-N 2.93Å; V36-L40 HydrophobicContact CG1-CD1 3.76Å; V36-L40 HydrophobicContact CG1-CG 4.16Å; V36-L40 WeakPolarHBondContact O-CB 3.42Å; V36-L40 VanDerWaalsContact O-CG 3.28Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.31Å
37F94.7Very high90.9Very high81 Ų8137.9 Ų37.936%0.35521%0.212SC..Hα-helixtrans-55.5-49.8178.1170.2-101.8000112.1A33 T39 L40 A41 I46 L49 Y98A33-F37 WeakPolarHBondContact O-CB 3.45Å; A33-F37 PolarHBondContact O-N 2.86Å; F37-T39 VanDerWaalsContact C-N 3.34Å; F37-T39 PolarHBondContact O-N 2.82Å; F37-L40 PolarHBondContact O-N 2.89Å; F37-A41 VanDerWaalsContact O-CB 3.32Å; F37-A41 WeakPolarHBondContact O-CB 3.29Å; F37-A41 PolarHBondContact O-N 3.01Å; F37-I46 HydrophobicContact CD2-CD1 3.37Å; F37-I46 HydrophobicContact CE2-CD1 3.47Å; F37-I46 VanDerWaalsContact CE2-CD1 3.47Å; F37-I46 HydrophobicContact CE2-CG2 4.49Å; F37-I46 HydrophobicContact CG-CD1 4.23Å; F37-I46 HydrophobicContact CZ-CD1 4.39Å; F37-I46 WeakPolarHBondContact O-CD1 3.5Å; F37-L49 HydrophobicContact CE1-CD1 4.21Å; F37-L49 HydrophobicContact CE2-CD1 4.44Å; F37-L49 HydrophobicContact CZ-CD1 3.72Å; F37-Y98 HydrophobicContact CE1-CG 4.37Å
38Q94.2Very high89.3Confident0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-70.1-32.4-178.7-69.4-178.192.900112.4L34 I35 V36 Y42 Y98 H100 L106 M110L34-Q38 WeakPolarHBondContact O-CB 3.22Å; L34-Q38 VanDerWaalsContact O-CG 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.09Å; L34-Q38 PolarHBondContact O-N 3.2Å; L34-Q38 PolarHBondContact O-NE2 3.39Å; I35-Q38 PolarHBondContact O-N 3.31Å; V36-Q38 PolarHBondContact O-N 3.29Å; Q38-Y42 VanDerWaalsContact O-CB 3.31Å; Q38-Y42 WeakPolarHBondContact O-CB 3.4Å; Q38-Y42 PolarHBondContact O-N 3.31Å; Q38-Y98 HydrophobicContact CG-CD1 4.37Å; Q38-H100 PolarHBondContact OE1-CE1 3.24Å; Q38-L106 HydrophobicContact CB-CD1 4.33Å; Q38-M110 HydrophobicContact CB-CE 4.43Å; Q38-M110 HydrophobicContact CB-SD 3.97Å
39T93.9Very high87.6Confident20 Ų2040 Ų4012%0.12322%0.224CC..Hα-helixtrans-67.7-44.4173.4-55.60000111.2V12 L15 I35 V36 F37 Y42 L43 L106V12-T39 HydrophobicContact CG1-CG2 4.07Å; L15-T39 WeakPolarHBondContact CD2-OG1 3.29Å; I35-T39 WeakPolarHBondContact O-CB 3.4Å; I35-T39 PolarHBondContact O-N 3.36Å; I35-T39 PolarHBondContact O-OG1 3.28Å; V36-T39 PolarHBondContact O-N 2.93Å; F37-T39 VanDerWaalsContact C-N 3.34Å; F37-T39 PolarHBondContact O-N 2.82Å; T39-Y42 PolarHBondContact O-N 3.25Å; T39-L43 HydrophobicContact CG2-CD1 4.01Å; T39-L43 WeakPolarHBondContact O-CB 3.35Å; T39-L43 VanDerWaalsContact O-CG 3.25Å; T39-L43 WeakPolarHBondContact O-CG 3.26Å; T39-L43 PolarHBondContact O-N 3.14Å; T39-L106 HydrophobicContact CG2-CD2 4.34Å
40L91.3Very high85.8Confident67 Ų6736.9 Ų36.935%0.35120%0.202SC..Hα-helixtrans-65.2-39.7175.3-70178000111.9V36 F37 L43 G44 F45 I46V36-L40 HydrophobicContact CG1-CD1 3.76Å; V36-L40 HydrophobicContact CG1-CG 4.16Å; V36-L40 WeakPolarHBondContact O-CB 3.42Å; V36-L40 VanDerWaalsContact O-CG 3.28Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.31Å; F37-L40 PolarHBondContact O-N 2.89Å; L40-L43 PolarHBondContact O-N 3.43Å; L40-G44 PolarHBondContact O-N 3.45Å; L40-G44 VanDerWaalsContact O-N 3.12Å; L40-F45 HydrophobicContact CB-CB 4.22Å; L40-F45 HydrophobicContact CD2-CB 4.23Å; L40-F45 HydrophobicContact CD2-CD2 3.81Å; L40-F45 HydrophobicContact CD2-CG 4.26Å; L40-F45 PolarHBondContact O-N 3.45Å; L40-I46 HydrophobicContact CB-CD1 4.05Å; L40-I46 HydrophobicContact CB-CG1 4.19Å
41A87.2Confident83.7Confident9 Ų938.1 Ų38.17%0.07421%0.209CC..Hα-helixtrans-59.5-50.3172.400000111.3F37 L43 G44 I46 L49F37-A41 VanDerWaalsContact O-CB 3.32Å; F37-A41 WeakPolarHBondContact O-CB 3.29Å; F37-A41 PolarHBondContact O-N 3.01Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 2.7Å; A41-G44 PolarHBondContact O-N 2.96Å; A41-G44 VanDerWaalsContact O-N 3.09Å; A41-I46 HydrophobicContact CB-CB 4.42Å; A41-I46 HydrophobicContact CB-CD1 4.11Å; A41-L49 HydrophobicContact CB-CB 4.3Å; A41-L49 HydrophobicContact CB-CD1 3.46Å; A41-L49 VanDerWaalsContact CB-CD1 3.46Å
42Y87.1Confident81.4Confident29 Ų2945 Ų4511%0.11424%0.236CC..Hα-helixtrans-60.4-39.4176.9177.4-101.7000111.9R3 V12 Q38 T39 G44 H100 D103 L106R3-Y42 PolarHBondContact NH1-O 2.95Å; R3-Y42 PolarHBondContact NH2-O 3.1Å; V12-Y42 HydrophobicContact CG2-CD1 4.12Å; V12-Y42 HydrophobicContact CG2-CE1 4.15Å; Q38-Y42 VanDerWaalsContact O-CB 3.31Å; Q38-Y42 WeakPolarHBondContact O-CB 3.4Å; Q38-Y42 PolarHBondContact O-N 3.31Å; T39-Y42 PolarHBondContact O-N 3.25Å; Y42-G44 PolarHBondContact O-N 3.27Å; Y42-H100 HydrophobicContact CD2-CB 4.04Å; Y42-D103 HydrophobicContact CE1-CB 3.83Å; Y42-D103 WeakPolarHBondContact OH-CA 3.28Å; Y42-D103 WeakPolarHBondContact OH-CB 3.44Å; Y42-D103 PolarHBondContact OH-N 3.06Å; Y42-L106 HydrophobicContact CD1-CD2 3.6Å; Y42-L106 HydrophobicContact CE1-CD2 4.41Å; Y42-L106 HydrophobicContact CG-CB 4.47Å; Y42-L106 HydrophobicContact CG-CD2 3.73Å
43L88.2Confident79.2Confident43 Ų4345.9 Ų45.923%0.22524%0.239CC..Hα-helixtrans-67.7-19.9178.1-77.6168.7000113.2R3 T39 L40 A41 F45R3-L43 VanDerWaalsContact NH1-C 3.26Å; R3-L43 PolarHBondContact NH1-O 3.18Å; R3-L43 PolarHBondContact NH2-O 3.31Å; R3-L43 VanDerWaalsContact NH2-O 3.09Å; T39-L43 HydrophobicContact CG2-CD1 4.01Å; T39-L43 WeakPolarHBondContact O-CB 3.35Å; T39-L43 VanDerWaalsContact O-CG 3.25Å; T39-L43 WeakPolarHBondContact O-CG 3.26Å; T39-L43 PolarHBondContact O-N 3.14Å; L40-L43 PolarHBondContact O-N 3.43Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 2.7Å; L43-F45 HydrophobicContact CB-CD2 3.51Å; L43-F45 HydrophobicContact CB-CE2 3.75Å; L43-F45 HydrophobicContact CD1-CD2 4.21Å; L43-F45 HydrophobicContact CD1-CE2 4.05Å; L43-F45 HydrophobicContact CG-CD2 4.48Å; L43-F45 HydrophobicContact CG-CE2 4.42Å
44G80.2Confident77Confident5 Ų543.6 Ų43.65%0.05222%0.219CC..THydrogen-bonded Turntrans87.427-176.400000112.8L40 A41 Y42 D50 Q53L40-G44 PolarHBondContact O-N 3.45Å; L40-G44 VanDerWaalsContact O-N 3.12Å; A41-G44 PolarHBondContact O-N 2.96Å; A41-G44 VanDerWaalsContact O-N 3.09Å; Y42-G44 PolarHBondContact O-N 3.27Å; G44-D50 WeakPolarHBondContact CA-OD2 3.17Å; G44-Q53 PolarHBondContact O-OE1 2.89Å
45F82Confident74.8Confident146 Ų14644.5 Ų44.564%0.6423%0.233SC*.  trans-89.5-7.3172.1-71.6-71.3000112.9L40 L43 P47L40-F45 HydrophobicContact CB-CB 4.22Å; L40-F45 HydrophobicContact CD2-CB 4.23Å; L40-F45 HydrophobicContact CD2-CD2 3.81Å; L40-F45 HydrophobicContact CD2-CG 4.26Å; L40-F45 PolarHBondContact O-N 3.45Å; L43-F45 HydrophobicContact CB-CD2 3.51Å; L43-F45 HydrophobicContact CB-CE2 3.75Å; L43-F45 HydrophobicContact CD1-CD2 4.21Å; L43-F45 HydrophobicContact CD1-CE2 4.05Å; L43-F45 HydrophobicContact CG-CD2 4.48Å; L43-F45 HydrophobicContact CG-CE2 4.42Å; F45-P47 WeakPolarHBondContact O-CD 3.27Å
46I75.8Confident72.7Confident36 Ų3647.8 Ų47.819%0.18526%0.256CS..  trans-115.593.7178.8-56.7-177.9000107.5F37 L40 A41 V48 L49 D50F37-I46 HydrophobicContact CD2-CD1 3.37Å; F37-I46 HydrophobicContact CE2-CD1 3.47Å; F37-I46 VanDerWaalsContact CE2-CD1 3.47Å; F37-I46 HydrophobicContact CE2-CG2 4.49Å; F37-I46 HydrophobicContact CG-CD1 4.23Å; F37-I46 HydrophobicContact CZ-CD1 4.39Å; F37-I46 WeakPolarHBondContact O-CD1 3.5Å; L40-I46 HydrophobicContact CB-CD1 4.05Å; L40-I46 HydrophobicContact CB-CG1 4.19Å; A41-I46 HydrophobicContact CB-CB 4.42Å; A41-I46 HydrophobicContact CB-CD1 4.11Å; I46-V48 HydrophobicContact CG2-CB 4.5Å; I46-V48 PolarHBondContact O-N 3.34Å; I46-V48 VanDerWaalsContact O-N 3.17Å; I46-L49 HydrophobicContact CG2-CD1 4.14Å; I46-L49 HydrophobicContact CG2-CG 4.19Å; I46-L49 PolarHBondContact O-N 2.85Å; I46-D50 PolarHBondContact O-N 3.46Å
47P60.6Low70.8Confident55 Ų5548.1 Ų48.136%0.35726%0.255SS..G310 helixtrans-56.4-39.1-170.6-26.534.1000112.3F45 L49 D50 I54F45-P47 WeakPolarHBondContact O-CD 3.27Å; P47-L49 PolarHBondContact O-N 3.26Å; P47-D50 CarbonylContact O-C 3.28Å; P47-D50 VanDerWaalsContact O-C 3.28Å; P47-D50 PolarHBondContact O-N 3.4Å; P47-I54 HydrophobicContact CB-CG1 4.23Å; P47-I54 WeakPolarHBondContact O-CD1 2.86Å; P47-I54 WeakPolarHBondContact O-CG1 3.48Å
48V62.6Low69Low53 Ų5345 Ų4532%0.32124%0.244SC..G310 helixtrans-51-28.3178177.10000113I46 L73 F95I46-V48 HydrophobicContact CG2-CB 4.5Å; I46-V48 PolarHBondContact O-N 3.34Å; I46-V48 VanDerWaalsContact O-N 3.17Å; V48-L73 HydrophobicContact CB-CD2 4.27Å; V48-L73 HydrophobicContact CG1-CD2 4.01Å; V48-L73 HydrophobicContact CG2-CD2 3.9Å; V48-F95 HydrophobicContact CG1-CE1 4.33Å
49L62.7Low67.3Low20 Ų2052.1 Ų52.111%0.10528%0.282CS..G310 helixtrans-103.7-17.8179.1-59.5175.3000113.2F37 A41 I46 P47 F95 M99F37-L49 HydrophobicContact CE1-CD1 4.21Å; F37-L49 HydrophobicContact CE2-CD1 4.44Å; F37-L49 HydrophobicContact CZ-CD1 3.72Å; A41-L49 HydrophobicContact CB-CB 4.3Å; A41-L49 HydrophobicContact CB-CD1 3.46Å; A41-L49 VanDerWaalsContact CB-CD1 3.46Å; I46-L49 HydrophobicContact CG2-CD1 4.14Å; I46-L49 HydrophobicContact CG2-CG 4.19Å; I46-L49 PolarHBondContact O-N 2.85Å; P47-L49 PolarHBondContact O-N 3.26Å; L49-F95 HydrophobicContact CD2-CB 4.09Å; L49-F95 HydrophobicContact CD2-CD1 3.76Å; L49-F95 HydrophobicContact CD2-CG 4.3Å; L49-M99 HydrophobicContact CB-CE 3.95Å; L49-M99 HydrophobicContact CD2-CE 3.42Å; L49-M99 VanDerWaalsContact CD2-CE 3.42Å; L49-M99 HydrophobicContact CD2-CG 4.41Å; L49-M99 HydrophobicContact CG-CE 4.29Å
50D58.8Low66Low19 Ų1957 Ų5710%0.10231%0.311CS..  trans-101.280.2173.4-166.5-6.4000111R5 G44 I46 P47 Y52 Q53 I54R5-D50 IonicContact NH2-OD2 3.5Å; G44-D50 WeakPolarHBondContact CA-OD2 3.17Å; I46-D50 PolarHBondContact O-N 3.46Å; P47-D50 CarbonylContact O-C 3.28Å; P47-D50 VanDerWaalsContact O-C 3.28Å; P47-D50 PolarHBondContact O-N 3.4Å; D50-Y52 PolarHBondContact O-N 2.82Å; D50-Y52 VanDerWaalsContact O-N 3.1Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.43Å; D50-Y52 PolarHBondContact OD1-N 3.3Å; D50-Q53 HydrophobicContact CB-CB 4.17Å; D50-Q53 WeakPolarHBondContact O-CB 3.39Å; D50-Q53 PolarHBondContact O-N 3.32Å; D50-Q53 PolarHBondContact OD1-N 2.89Å; D50-I54 PolarHBondContact O-N 3.1Å; D50-I54 VanDerWaalsContact O-N 3.08Å
51V53.7Low64.7Low29 Ų2955.3 Ų55.318%0.17631%0.305CS..Hα-helixtrans-56.3-25.3176.3-179.20000112.3I54 G55 P74 A75V51-I54 PolarHBondContact O-N 2.94Å; V51-G55 PolarHBondContact O-N 3.32Å; V51-P74 VanDerWaalsContact CG2-O 3.23Å; V51-P74 WeakPolarHBondContact CG2-O 3.32Å; V51-A75 HydrophobicContact CG1-CB 4.39Å
52Y49.5Very low63.8Low144 Ų14460.8 Ų60.857%0.56534%0.343SS*.Hα-helixtrans-69.6-38.8175.7-74.7-78.5000111.3D50 G55 S56D50-Y52 PolarHBondContact O-N 2.82Å; D50-Y52 VanDerWaalsContact O-N 3.1Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.43Å; D50-Y52 PolarHBondContact OD1-N 3.3Å; Y52-G55 PolarHBondContact O-N 2.79Å; Y52-S56 WeakPolarHBondContact O-CB 3.38Å; Y52-S56 PolarHBondContact O-N 3.17Å; Y52-S56 PolarHBondContact O-OG 3.34Å; Y52-S56 VanDerWaalsContact O-OG 3.12Å
53Q51.8Low63.2Low61 Ų6161.4 Ų61.429%0.28535%0.354SS..Hα-helixtrans-70.9-38.9175.7-157.4178.216.900111.3G44 D50 S56 I57G44-Q53 PolarHBondContact O-OE1 2.89Å; D50-Q53 HydrophobicContact CB-CB 4.17Å; D50-Q53 WeakPolarHBondContact O-CB 3.39Å; D50-Q53 PolarHBondContact O-N 3.32Å; D50-Q53 PolarHBondContact OD1-N 2.89Å; Q53-S56 PolarHBondContact O-N 3.15Å; Q53-I57 HydrophobicContact CG-CD1 3.88Å; Q53-I57 HydrophobicContact CG-CG1 4.48Å; Q53-I57 WeakPolarHBondContact O-CB 3.43Å; Q53-I57 WeakPolarHBondContact O-CD1 3.23Å; Q53-I57 WeakPolarHBondContact O-CG1 3.48Å; Q53-I57 PolarHBondContact O-N 3.3Å
54I51.9Low62.2Low10 Ų1064.4 Ų64.45%0.05138%0.375CS..Hα-helixtrans-61.4-46.6173.2-63.8161.2000110.8P47 D50 V51 S56 I57 A58 A70 L73P47-I54 HydrophobicContact CB-CG1 4.23Å; P47-I54 WeakPolarHBondContact O-CD1 2.86Å; P47-I54 WeakPolarHBondContact O-CG1 3.48Å; D50-I54 PolarHBondContact O-N 3.1Å; D50-I54 VanDerWaalsContact O-N 3.08Å; V51-I54 PolarHBondContact O-N 2.94Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 3.27Å; I54-I57 PolarHBondContact O-N 3.12Å; I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.16Å; I54-A70 VanDerWaalsContact CG2-CA 3.48Å; I54-A70 HydrophobicContact CG2-CB 3.29Å; I54-L73 HydrophobicContact CD1-CB 3.67Å; I54-L73 HydrophobicContact CD1-CD1 3.32Å; I54-L73 HydrophobicContact CD1-CG 4.05Å; I54-L73 HydrophobicContact CG1-CD1 3.69Å; I54-L73 HydrophobicContact CG2-CD1 3.99Å
55G51Low61.5Low39 Ų3967.6 Ų67.640%0.40240%0.4SS..Hα-helixtrans-61.2-42178.100000112V51 Y52 L59V51-G55 PolarHBondContact O-N 3.32Å; Y52-G55 PolarHBondContact O-N 2.79Å; G55-L59 WeakPolarHBondContact O-CB 3.18Å; G55-L59 PolarHBondContact O-N 3.26Å
56S53.5Low60.5Low71 Ų7163.1 Ų63.150%0.49739%0.385SS..Hα-helixtrans-66.7-43.3174-63.70000112.7Y52 Q53 I54 L59 T60Y52-S56 WeakPolarHBondContact O-CB 3.38Å; Y52-S56 PolarHBondContact O-N 3.17Å; Y52-S56 PolarHBondContact O-OG 3.34Å; Y52-S56 VanDerWaalsContact O-OG 3.12Å; Q53-S56 PolarHBondContact O-N 3.15Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 3.27Å; S56-L59 PolarHBondContact O-N 3.24Å; S56-T60 WeakPolarHBondContact O-CG2 3.2Å; S56-T60 PolarHBondContact O-N 2.98Å; S56-T60 PolarHBondContact O-OG1 3.2Å
57I56.7Low59.8Low73 Ų7368.1 Ų68.137%0.37440%0.401SS..Hα-helixtrans-66.2-40.2177.8-69.1165000111Q53 I54 L59 T60 S61 V66Q53-I57 HydrophobicContact CG-CD1 3.88Å; Q53-I57 HydrophobicContact CG-CG1 4.48Å; Q53-I57 WeakPolarHBondContact O-CB 3.43Å; Q53-I57 WeakPolarHBondContact O-CD1 3.23Å; Q53-I57 WeakPolarHBondContact O-CG1 3.48Å; Q53-I57 PolarHBondContact O-N 3.3Å; I54-I57 PolarHBondContact O-N 3.12Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 3.26Å; I57-T60 PolarHBondContact O-N 2.87Å; I57-T60 PolarHBondContact O-OG1 2.79Å; I57-S61 WeakPolarHBondContact O-CA 3.02Å; I57-S61 WeakPolarHBondContact O-CB 3.48Å; I57-S61 PolarHBondContact O-N 3.22Å; I57-V66 HydrophobicContact CG2-CG1 3.93Å
58A56Low59.8Low16 Ų1671.3 Ų71.313%0.13241%0.412CS..Hα-helixtrans-70.1-29.3177.100000112.8I54 R67 A70I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.16Å; A58-R67 WeakPolarHBondContact O-CG 3.32Å; A58-R67 PolarHBondContact O-NE 3.39Å; A58-A70 HydrophobicContact CB-CB 3.43Å; A58-A70 VanDerWaalsContact CB-CB 3.43Å
59L59.4Low59.8Low150 Ų15074.9 Ų74.979%0.78542%0.423SS*.Hα-helixtrans-79.5-29.1176.8-157.374.9000111.9G55 S56 I57G55-L59 WeakPolarHBondContact O-CB 3.18Å; G55-L59 PolarHBondContact O-N 3.26Å; S56-L59 PolarHBondContact O-N 3.24Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 3.26Å
60T65.5Low59.4Low122 Ų12274.6 Ų74.675%0.74842%0.423SS*.Hα-helixtrans-95.4-17.8178.659.60000114S56 I57S56-T60 WeakPolarHBondContact O-CG2 3.2Å; S56-T60 PolarHBondContact O-N 2.98Å; S56-T60 PolarHBondContact O-OG1 3.2Å; I57-T60 PolarHBondContact O-N 2.87Å; I57-T60 PolarHBondContact O-OG1 2.79Å
61S63.7Low59.1Low32 Ų3282.3 Ų82.322%0.22446%0.456CS..  trans-83.1126.1-179.9-1720000112I57 A63I57-S61 WeakPolarHBondContact O-CA 3.02Å; I57-S61 WeakPolarHBondContact O-CB 3.48Å; I57-S61 PolarHBondContact O-N 3.22Å; S61-A63 VanDerWaalsContact C-N 3.27Å; S61-A63 PolarHBondContact OG-N 3.49Å
62S69.7Low59.1Low124 Ų12487.3 Ų87.387%0.86748%0.481SS*.  trans-77.9-10.7170.956.90000113.2T64S62-T64 PolarHBondContact O-N 2.77Å
63A73.6Confident59.3Low42 Ų4281.7 Ų81.735%0.34746%0.461SS..  trans-79.5112.7-179.900000110.4S61 A65 V66 R67S61-A63 VanDerWaalsContact C-N 3.27Å; S61-A63 PolarHBondContact OG-N 3.49Å; A63-A65 PolarHBondContact O-N 2.98Å; A63-V66 HydrophobicContact CB-CB 4.16Å; A63-V66 HydrophobicContact CB-CG2 3.76Å; A63-V66 WeakPolarHBondContact O-CB 3.34Å; A63-V66 PolarHBondContact O-N 3Å; A63-R67 PolarHBondContact O-N 2.81Å
64T67.8Low59.3Low106 Ų10679.8 Ų79.865%0.6545%0.454SS*.Hα-helixtrans-52.8-42.3177.145.10000112.1S62 V66 R67 E68S62-T64 PolarHBondContact O-N 2.77Å; T64-V66 VanDerWaalsContact C-N 3.25Å; T64-V66 PolarHBondContact O-N 3.28Å; T64-R67 PolarHBondContact O-N 3.45Å; T64-R67 VanDerWaalsContact O-N 3.08Å; T64-E68 WeakPolarHBondContact O-CG 3.28Å; T64-E68 PolarHBondContact O-N 3.37Å
65A65.5Low59.4Low71 Ų7182.2 Ų82.259%0.58748%0.475SS*.Hα-helixtrans-57.8-34.817600000113.6A63 F69A63-A65 PolarHBondContact O-N 2.98Å; A65-F69 VanDerWaalsContact O-CB 3.22Å; A65-F69 WeakPolarHBondContact O-CB 3.33Å; A65-F69 PolarHBondContact O-N 3.42Å
66V61.2Low59.8Low53 Ų5380.3 Ų80.332%0.32146%0.456SS..Hα-helixtrans-73.6-38177.5176.80000110.6I57 A63 T64 A70I57-V66 HydrophobicContact CG2-CG1 3.93Å; A63-V66 HydrophobicContact CB-CB 4.16Å; A63-V66 HydrophobicContact CB-CG2 3.76Å; A63-V66 WeakPolarHBondContact O-CB 3.34Å; A63-V66 PolarHBondContact O-N 3Å; T64-V66 VanDerWaalsContact C-N 3.25Å; T64-V66 PolarHBondContact O-N 3.28Å; V66-A70 WeakPolarHBondContact O-CB 3.38Å; V66-A70 PolarHBondContact O-N 3.49Å
67R60Low60.7Low140 Ų14081.3 Ų81.353%0.52845%0.453SS..Hα-helixtrans-66.5-42.7175.3-59.4-175.976.7-151.12.2111.5A58 A63 T64 A70 F71A58-R67 WeakPolarHBondContact O-CG 3.32Å; A58-R67 PolarHBondContact O-NE 3.39Å; A63-R67 PolarHBondContact O-N 2.81Å; T64-R67 PolarHBondContact O-N 3.45Å; T64-R67 VanDerWaalsContact O-N 3.08Å; R67-A70 PolarHBondContact O-N 3Å; R67-F71 WeakPolarHBondContact O-CB 3.32Å; R67-F71 PolarHBondContact O-N 2.96Å
68E62.1Low62.3Low123 Ų12378 Ų7858%0.57544%0.436SS*.Hα-helixtrans-63-50.2174.7-68.3-57.9143.800110.9T64 A70 F71 L72T64-E68 WeakPolarHBondContact O-CG 3.28Å; T64-E68 PolarHBondContact O-N 3.37Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.33Å; E68-F71 PolarHBondContact O-N 2.94Å; E68-F71 VanDerWaalsContact O-N 3.1Å; E68-L72 VanDerWaalsContact O-CG 3.28Å; E68-L72 WeakPolarHBondContact O-CG 3.45Å; E68-L72 PolarHBondContact O-N 3.28Å
69F60.8Low64Low127 Ų12777.4 Ų77.456%0.55743%0.431SS*.Hα-helixtrans-60.7-41.6177.6-172.8-102.9000112.2A65 F71 L72 L73A65-F69 VanDerWaalsContact O-CB 3.22Å; A65-F69 WeakPolarHBondContact O-CB 3.33Å; A65-F69 PolarHBondContact O-N 3.42Å; F69-F71 VanDerWaalsContact C-N 3.31Å; F69-F71 PolarHBondContact O-N 3.36Å; F69-L72 WeakPolarHBondContact O-CB 3.47Å; F69-L72 PolarHBondContact O-N 2.87Å; F69-L73 HydrophobicContact CD1-CD1 4.06Å; F69-L73 HydrophobicContact CD1-CG 4.5Å; F69-L73 HydrophobicContact CE1-CD1 3.89Å; F69-L73 HydrophobicContact CE1-CD2 4.31Å; F69-L73 HydrophobicContact CE1-CG 4.3Å; F69-L73 HydrophobicContact CZ-CD2 4.4Å; F69-L73 WeakPolarHBondContact O-CG 3.29Å; F69-L73 PolarHBondContact O-N 3.43Å; F69-L73 VanDerWaalsContact O-N 3.16Å
70A55.3Low65.7Low14 Ų1471.8 Ų71.812%0.11640%0.4CS..Hα-helixtrans-61.6-37.1174.500000113.3I54 A58 V66 R67 E68 L72 L73I54-A70 VanDerWaalsContact CG2-CA 3.48Å; I54-A70 HydrophobicContact CG2-CB 3.29Å; A58-A70 HydrophobicContact CB-CB 3.43Å; A58-A70 VanDerWaalsContact CB-CB 3.43Å; V66-A70 WeakPolarHBondContact O-CB 3.38Å; V66-A70 PolarHBondContact O-N 3.49Å; R67-A70 PolarHBondContact O-N 3Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.33Å; A70-L72 VanDerWaalsContact C-N 3.33Å; A70-L73 PolarHBondContact O-N 3.43Å
71F53.2Low67Low181 Ų18166 Ų6679%0.79437%0.365SS*.Hα-helixtrans-74.3-26.4176.6-165.2-97.7000112.5R67 E68 F69 L73R67-F71 WeakPolarHBondContact O-CB 3.32Å; R67-F71 PolarHBondContact O-N 2.96Å; E68-F71 PolarHBondContact O-N 2.94Å; E68-F71 VanDerWaalsContact O-N 3.1Å; F69-F71 VanDerWaalsContact C-N 3.31Å; F69-F71 PolarHBondContact O-N 3.36Å; F71-L73 VanDerWaalsContact C-N 3.27Å
72L53.3Low68.4Low134 Ų13465 Ų6570%0.70236%0.359SS*.Hα-helixtrans-74.4-16.5171-67.1170.8000112.9E68 F69 A70E68-L72 VanDerWaalsContact O-CG 3.28Å; E68-L72 WeakPolarHBondContact O-CG 3.45Å; E68-L72 PolarHBondContact O-N 3.28Å; F69-L72 WeakPolarHBondContact O-CB 3.47Å; F69-L72 PolarHBondContact O-N 2.87Å; A70-L72 VanDerWaalsContact C-N 3.33Å
73L54.2Low69.5Low26 Ų2662.5 Ų62.514%0.13633%0.333CS..SBendtrans-76.4134.1177.5-69.5168.6000110.5V48 I54 F69 A70 F71 A75V48-L73 HydrophobicContact CB-CD2 4.27Å; V48-L73 HydrophobicContact CG1-CD2 4.01Å; V48-L73 HydrophobicContact CG2-CD2 3.9Å; I54-L73 HydrophobicContact CD1-CB 3.67Å; I54-L73 HydrophobicContact CD1-CD1 3.32Å; I54-L73 HydrophobicContact CD1-CG 4.05Å; I54-L73 HydrophobicContact CG1-CD1 3.69Å; I54-L73 HydrophobicContact CG2-CD1 3.99Å; F69-L73 HydrophobicContact CD1-CD1 4.06Å; F69-L73 HydrophobicContact CD1-CG 4.5Å; F69-L73 HydrophobicContact CE1-CD1 3.89Å; F69-L73 HydrophobicContact CE1-CD2 4.31Å; F69-L73 HydrophobicContact CE1-CG 4.3Å; F69-L73 HydrophobicContact CZ-CD2 4.4Å; F69-L73 WeakPolarHBondContact O-CG 3.29Å; F69-L73 PolarHBondContact O-N 3.43Å; F69-L73 VanDerWaalsContact O-N 3.16Å; A70-L73 PolarHBondContact O-N 3.43Å; F71-L73 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.09Å
74P51.8Low70.5Confident21 Ų2160.9 Ų60.914%0.13632%0.319CS..  trans-55.7111-177.5-26.835000112.3V51 S76 E91 F95V51-P74 VanDerWaalsContact CG2-O 3.23Å; V51-P74 WeakPolarHBondContact CG2-O 3.32Å; P74-S76 WeakPolarHBondContact CB-OG 3.44Å; P74-S76 PolarHBondContact O-N 3.49Å; P74-E91 HydrophobicContact CB-CB 4.31Å; P74-E91 HydrophobicContact CB-CG 3.5Å; P74-E91 HydrophobicContact CG-CB 3.96Å; P74-E91 HydrophobicContact CG-CG 3.65Å; P74-F95 HydrophobicContact CB-CD2 4.34Å; P74-F95 HydrophobicContact CG-CD2 3.78Å; P74-F95 HydrophobicContact CG-CE2 3.69Å
75A52.6Low71.7Confident61 Ų6158.3 Ų58.350%0.50430%0.3SS..  trans-68.327.1161.200000111.8V51 L73 H77V51-A75 HydrophobicContact CG1-CB 4.39Å; L73-A75 PolarHBondContact O-N 3.09Å; A75-H77 PolarHBondContact O-CD2 2.85Å; A75-H77 VanDerWaalsContact O-CD2 3.22Å; A75-H77 PolarHBondContact O-N 2.61Å
76S60.8Low73.1Confident0 Ų062.8 Ų62.80%031%0.307CS..  trans-99.777.8-162.1960000109.2P74 C78 R92P74-S76 WeakPolarHBondContact CB-OG 3.44Å; P74-S76 PolarHBondContact O-N 3.49Å; S76-C78 PolarHBondContact O-N 3.18Å; S76-C78 VanDerWaalsContact O-N 3.14Å; S76-R92 VanDerWaalsContact CB-CG 3.46Å
77H72.4Confident74.5Confident92 Ų9267.1 Ų67.143%0.42632%0.321SS..  trans-69.9-6.8-173.4-54.6-72.3000115.5A75 V167A75-H77 PolarHBondContact O-CD2 2.85Å; A75-H77 VanDerWaalsContact O-CD2 3.22Å; A75-H77 PolarHBondContact O-N 2.61Å; H77-V167 WeakPolarHBondContact O-CG1 3.28Å
78C90.3Very high75.9Confident4 Ų467.9 Ų67.93%0.02733%0.328CS..SBendtrans-167.8158.8-17460.80000111.7S76 H80 R92 P96 C165 A166 V167S76-C78 PolarHBondContact O-N 3.18Å; S76-C78 VanDerWaalsContact O-N 3.14Å; C78-H80 PolarHBondContact O-N 3.2Å; C78-R92 PolarHBondContact O-NH1 3.09Å; C78-P96 VanDerWaalsContact C-CG 3.41Å; C78-C165 HydrophobicContact CB-CB 3.94Å; C78-C165 WeakPolarHBondContact CB-SG 3.08Å; C78-C165 WeakPolarHBondContact SG-CA 3.31Å; C78-C165 WeakPolarHBondContact SG-CB 3.34Å; C78-C165 CovalentContact SG-SG 2.02Å; C78-C165 PolarHBondContact SG-SG 2.93Å; C78-A166 CarbonylContact C-O 3.54Å; C78-A166 VanDerWaalsContact CA-O 3.31Å; C78-A166 WeakPolarHBondContact CA-O 3.37Å; C78-A166 VanDerWaalsContact CB-O 3.27Å; C78-A166 WeakPolarHBondContact CB-O 3.37Å; C78-V167 HydrophobicContact CB-CG1 3.67Å
79V91.9Very high77.2Confident3 Ų364.6 Ų64.62%0.01831%0.313CS..BIsolated β-bridgetrans-72.1112.4167.9-163.90000107.7I84 R92 P96 N141 M144 V145 A166V79-I84 HydrophobicContact CG1-CD1 3.66Å; V79-R92 WeakPolarHBondContact CG2-O 3.38Å; V79-P96 HydrophobicContact CG2-CB 3.58Å; V79-P96 HydrophobicContact CG2-CG 4.02Å; V79-N141 HydrophobicContact CG1-CB 4.19Å; V79-N141 WeakPolarHBondContact CG2-OD1 3.25Å; V79-M144 HydrophobicContact CB-CE 3.39Å; V79-M144 HydrophobicContact CG1-CE 3.22Å; V79-M144 HydrophobicContact CG2-CE 4.22Å; V79-V145 HydrophobicContact CG1-CG2 4.44Å; V79-A166 PolarHBondContact N-O 2.97Å; V79-A166 PolarHBondContact O-N 3.26Å; V79-A166 VanDerWaalsContact O-N 3.17Å
80H93.3Very high78.7Confident31 Ų3163.7 Ų63.714%0.14431%0.313CS..  trans-125.7101.7-179.2-176.6-43.6000108.8C78 G82 K83 I84 M162 Q164C78-H80 PolarHBondContact O-N 3.2Å; H80-G82 VanDerWaalsContact C-N 3.32Å; H80-G82 PolarHBondContact ND1-N 2.77Å; H80-G82 PolarHBondContact O-N 2.94Å; H80-K83 HydrophobicContact CB-CB 4.18Å; H80-K83 HydrophobicContact CB-CD 4.23Å; H80-K83 HydrophobicContact CB-CG 4.28Å; H80-K83 PolarHBondContact ND1-N 3.46Å; H80-K83 PolarHBondContact O-N 3.35Å; H80-I84 WeakPolarHBondContact O-CG1 3.27Å; H80-I84 PolarHBondContact O-N 3.34Å; H80-M162 PolarHBondContact CE1-O 3.19Å; H80-M162 PolarHBondContact ND1-O 2.98Å; H80-Q164 WeakPolarHBondContact CA-O 3.18Å
81P94.4Very high80.2Confident0 Ų065.7 Ų65.70%032%0.32CS..Hα-helixtrans-54.4-43.6-172.7-28.635.5000114K83 I84 I85 V145 M162 Q164P81-K83 PolarHBondContact O-N 3.39Å; P81-I84 PolarHBondContact O-N 2.88Å; P81-I85 WeakPolarHBondContact O-CG1 3.45Å; P81-I85 PolarHBondContact O-N 2.83Å; P81-V145 HydrophobicContact CB-CG1 4.38Å; P81-V145 HydrophobicContact CB-CG2 4.22Å; P81-V145 HydrophobicContact CG-CG2 4.33Å; P81-M162 HydrophobicContact CB-SD 3.83Å; P81-Q164 HydrophobicContact CG-CG 4.39Å
82G93.4Very high82Confident11 Ų1157.5 Ų57.511%0.11328%0.284CS..Hα-helixtrans-59.8-39.3176.100000114.4H80 K86 M162H80-G82 VanDerWaalsContact C-N 3.32Å; H80-G82 PolarHBondContact ND1-N 2.77Å; H80-G82 PolarHBondContact O-N 2.94Å; G82-K86 WeakPolarHBondContact O-CB 3.08Å; G82-K86 WeakPolarHBondContact O-CG 3.36Å; G82-K86 PolarHBondContact O-N 2.88Å; G82-M162 WeakPolarHBondContact CA-O 3.27Å; G82-M162 PolarHBondContact N-O 2.96Å
83K91.6Very high84Confident72 Ų7252.4 Ų52.431%0.31326%0.257SS..Hα-helixtrans-73.5-37.9177.5-69.6-176.9-177.6178.90111.6H80 P81 K87 K88H80-K83 HydrophobicContact CB-CB 4.18Å; H80-K83 HydrophobicContact CB-CD 4.23Å; H80-K83 HydrophobicContact CB-CG 4.28Å; H80-K83 PolarHBondContact ND1-N 3.46Å; H80-K83 PolarHBondContact O-N 3.35Å; P81-K83 PolarHBondContact O-N 3.39Å; K83-K87 CarbonylContact O-C 3.44Å; K83-K87 VanDerWaalsContact O-CA 3.28Å; K83-K87 WeakPolarHBondContact O-CA 3.25Å; K83-K87 VanDerWaalsContact O-CB 3.27Å; K83-K87 WeakPolarHBondContact O-CB 3.46Å; K83-K87 PolarHBondContact O-N 3.37Å; K83-K88 PolarHBondContact O-N 3.15Å
84I94Very high85.8Confident9 Ų953.9 Ų53.95%0.04627%0.265CS..Hα-helixtrans-61.6-49.8176.1-67.3163.8000110V79 H80 P81 K88 Q89 L90 R92 L93 V145V79-I84 HydrophobicContact CG1-CD1 3.66Å; H80-I84 WeakPolarHBondContact O-CG1 3.27Å; H80-I84 PolarHBondContact O-N 3.34Å; P81-I84 PolarHBondContact O-N 2.88Å; I84-K88 VanDerWaalsContact O-CA 3.24Å; I84-K88 WeakPolarHBondContact O-CA 3.49Å; I84-K88 PolarHBondContact O-N 3.45Å; I84-Q89 WeakPolarHBondContact CG1-O 3.31Å; I84-L90 HydrophobicContact CG2-CD2 4.41Å; I84-R92 HydrophobicContact CD1-CB 3.75Å; I84-R92 HydrophobicContact CG1-CB 3.66Å; I84-R92 HydrophobicContact CG1-CG 4.41Å; I84-L93 HydrophobicContact CD1-CD2 3.88Å; I84-L93 HydrophobicContact CD1-CG 4.33Å; I84-L93 HydrophobicContact CG2-CD1 4.47Å; I84-L93 HydrophobicContact CG2-CD2 4.3Å; I84-L93 HydrophobicContact CG2-CG 4.36Å; I84-V145 HydrophobicContact CB-CG2 4.4Å; I84-V145 HydrophobicContact CD1-CG2 3.53Å; I84-V145 HydrophobicContact CG2-CG1 4.35Å; I84-V145 HydrophobicContact CG2-CG2 4.31Å
85I94.6Very high87.6Confident51 Ų5155.7 Ų55.726%0.26227%0.271SS..Hα-helixtrans-72-52-176.9-67.9177.1000111.8P81 K88 V145 F149 M162P81-I85 WeakPolarHBondContact O-CG1 3.45Å; P81-I85 PolarHBondContact O-N 2.83Å; I85-K88 PolarHBondContact O-NZ 3.07Å; I85-V145 HydrophobicContact CD1-CG1 3.65Å; I85-V145 HydrophobicContact CG1-CG1 3.73Å; I85-F149 HydrophobicContact CD1-CB 3.74Å; I85-F149 HydrophobicContact CD1-CD2 3.72Å; I85-F149 HydrophobicContact CD1-CG 3.89Å; I85-M162 HydrophobicContact CD1-CE 3.95Å
86K93.7Very high89.4Confident166 Ų16652.8 Ų52.872%0.72225%0.247SC*.Hα-helixtrans-83-35.4-171.3-59.6-174.8178.3-173.20113.5G82G82-K86 WeakPolarHBondContact O-CB 3.08Å; G82-K86 WeakPolarHBondContact O-CG 3.36Å; G82-K86 PolarHBondContact O-N 2.88Å
87K90.6Very high90.9Very high144 Ų14453.1 Ų53.163%0.62625%0.249SC*.Hα-helixtrans-105.52.4-177.5-55.1-166178.2-1640113.7K83 Q89K83-K87 CarbonylContact O-C 3.44Å; K83-K87 VanDerWaalsContact O-CA 3.28Å; K83-K87 WeakPolarHBondContact O-CA 3.25Å; K83-K87 VanDerWaalsContact O-CB 3.27Å; K83-K87 WeakPolarHBondContact O-CB 3.46Å; K83-K87 PolarHBondContact O-N 3.37Å; K87-Q89 HydrophobicContact CB-CG 4.14Å; K87-Q89 PolarHBondContact O-N 3.28Å; K87-Q89 VanDerWaalsContact O-N 3.14Å
88K90.4Very high91.9Very high155 Ų15549.5 Ų49.567%0.67423%0.232SC*.  trans53.932.2179.8-54.2-56.8-175-170.30113.9K83 I84 I85 L90K83-K88 PolarHBondContact O-N 3.15Å; I84-K88 VanDerWaalsContact O-CA 3.24Å; I84-K88 WeakPolarHBondContact O-CA 3.49Å; I84-K88 PolarHBondContact O-N 3.45Å; I85-K88 PolarHBondContact O-NZ 3.07Å; K88-L90 PolarHBondContact O-N 3.31Å
89Q89.4Confident91.8Very high54 Ų5450.5 Ų50.525%0.25224%0.236SC..  trans-78.770.9177.1-76.7-173.8-11.800110.4I84 K87 E91 R92I84-Q89 WeakPolarHBondContact CG1-O 3.31Å; K87-Q89 HydrophobicContact CB-CG 4.14Å; K87-Q89 PolarHBondContact O-N 3.28Å; K87-Q89 VanDerWaalsContact O-N 3.14Å; Q89-E91 VanDerWaalsContact C-N 3.26Å; Q89-E91 WeakPolarHBondContact CA-OE2 3.18Å; Q89-E91 VanDerWaalsContact CB-OE1 3.24Å; Q89-E91 WeakPolarHBondContact CB-OE1 2.9Å; Q89-E91 PolarHBondContact O-N 2.81Å; Q89-R92 HydrophobicContact CB-CG 4.26Å; Q89-R92 WeakPolarHBondContact O-CB 3.42Å; Q89-R92 PolarHBondContact O-N 2.79Å
90L91.4Very high91.6Very high108 Ų10851.3 Ų51.357%0.56524%0.24SC*.G310 helixtrans-68.6-23.3-174.3-61.8-176.8000113.2I84 K88 R92 L93I84-L90 HydrophobicContact CG2-CD2 4.41Å; K88-L90 PolarHBondContact O-N 3.31Å; L90-R92 PolarHBondContact O-N 3.18Å; L90-R92 VanDerWaalsContact O-N 3.13Å; L90-L93 HydrophobicContact CD2-CD1 4.19Å; L90-L93 VanDerWaalsContact O-CB 3.27Å; L90-L93 WeakPolarHBondContact O-CB 3.16Å; L90-L93 PolarHBondContact O-N 2.81Å
91E88Confident91.1Very high56 Ų5651.4 Ų51.426%0.26225%0.246SC..G310 helixtrans-59.1-25.2176.174-68.6166.400112.5P74 Q89 L93 L94 F95P74-E91 HydrophobicContact CB-CB 4.31Å; P74-E91 HydrophobicContact CB-CG 3.5Å; P74-E91 HydrophobicContact CG-CB 3.96Å; P74-E91 HydrophobicContact CG-CG 3.65Å; Q89-E91 VanDerWaalsContact C-N 3.26Å; Q89-E91 WeakPolarHBondContact CA-OE2 3.18Å; Q89-E91 VanDerWaalsContact CB-OE1 3.24Å; Q89-E91 WeakPolarHBondContact CB-OE1 2.9Å; Q89-E91 PolarHBondContact O-N 2.81Å; E91-L93 PolarHBondContact O-N 3.04Å; E91-L94 PolarHBondContact O-N 3.14Å; E91-L94 VanDerWaalsContact O-N 3.15Å; E91-F95 HydrophobicContact CB-CD2 4.03Å; E91-F95 HydrophobicContact CB-CE2 4.06Å; E91-F95 WeakPolarHBondContact O-CD2 2.84Å; E91-F95 PolarHBondContact O-N 3.4Å
92R91.2Very high90.6Very high10 Ų1054.6 Ų54.64%0.03826%0.263CS..G310 helixtrans-65.1-13.3172.3-67.8177.3-177.7-73.2-10.7114.2S76 C78 V79 I84 Q89 L90 L94 P96S76-R92 VanDerWaalsContact CB-CG 3.46Å; C78-R92 PolarHBondContact O-NH1 3.09Å; V79-R92 WeakPolarHBondContact CG2-O 3.38Å; I84-R92 HydrophobicContact CD1-CB 3.75Å; I84-R92 HydrophobicContact CG1-CB 3.66Å; I84-R92 HydrophobicContact CG1-CG 4.41Å; Q89-R92 HydrophobicContact CB-CG 4.26Å; Q89-R92 WeakPolarHBondContact O-CB 3.42Å; Q89-R92 PolarHBondContact O-N 2.79Å; L90-R92 PolarHBondContact O-N 3.18Å; L90-R92 VanDerWaalsContact O-N 3.13Å; R92-L94 VanDerWaalsContact C-N 3.3Å; R92-P96 WeakPolarHBondContact O-CD 3.43Å; R92-P96 WeakPolarHBondContact O-CG 3.41Å
93L93.7Very high90.4Very high26 Ų2655.7 Ų55.714%0.13627%0.266CS..G310 helixtrans-81.5-10.7175.7-64.7171.7000112.7I84 L90 E91 N141 V142 V145I84-L93 HydrophobicContact CD1-CD2 3.88Å; I84-L93 HydrophobicContact CD1-CG 4.33Å; I84-L93 HydrophobicContact CG2-CD1 4.47Å; I84-L93 HydrophobicContact CG2-CD2 4.3Å; I84-L93 HydrophobicContact CG2-CG 4.36Å; L90-L93 HydrophobicContact CD2-CD1 4.19Å; L90-L93 VanDerWaalsContact O-CB 3.27Å; L90-L93 WeakPolarHBondContact O-CB 3.16Å; L90-L93 PolarHBondContact O-N 2.81Å; E91-L93 PolarHBondContact O-N 3.04Å; L93-N141 VanDerWaalsContact C-ND2 3.34Å; L93-N141 HydrophobicContact CB-CB 4.42Å; L93-N141 HydrophobicContact CD2-CB 3.85Å; L93-N141 PolarHBondContact O-ND2 2.02Å; L93-V142 HydrophobicContact CD1-CG2 4.14Å; L93-V142 HydrophobicContact CD2-CG2 4.14Å; L93-V145 HydrophobicContact CD2-CG2 4.08Å
94L92.3Very high90.3Very high58 Ų5854.8 Ų54.830%0.30426%0.264SS..THydrogen-bonded Turntrans-119.8-62.1-176.7-177.765.4000112.2E91 R92 T97 Y98 V134 V138E91-L94 PolarHBondContact O-N 3.14Å; E91-L94 VanDerWaalsContact O-N 3.15Å; R92-L94 VanDerWaalsContact C-N 3.3Å; L94-T97 PolarHBondContact O-N 2.9Å; L94-Y98 HydrophobicContact CD1-CE2 4Å; L94-Y98 WeakPolarHBondContact O-CD2 3.44Å; L94-V134 HydrophobicContact CD1-CG1 4.14Å; L94-V138 HydrophobicContact CD1-CG2 3.73Å
95F89.5Confident90Very high59 Ų5956.4 Ų56.426%0.25927%0.271SS..G310 helixtrans-63.9-42-167-62.9-67.8000115.3V48 L49 P74 E91 T97 Y98 M99V48-F95 HydrophobicContact CG1-CE1 4.33Å; L49-F95 HydrophobicContact CD2-CB 4.09Å; L49-F95 HydrophobicContact CD2-CD1 3.76Å; L49-F95 HydrophobicContact CD2-CG 4.3Å; P74-F95 HydrophobicContact CB-CD2 4.34Å; P74-F95 HydrophobicContact CG-CD2 3.78Å; P74-F95 HydrophobicContact CG-CE2 3.69Å; E91-F95 HydrophobicContact CB-CD2 4.03Å; E91-F95 HydrophobicContact CB-CE2 4.06Å; E91-F95 WeakPolarHBondContact O-CD2 2.84Å; E91-F95 PolarHBondContact O-N 3.4Å; F95-T97 PolarHBondContact O-N 2.96Å; F95-T97 VanDerWaalsContact O-N 3.09Å; F95-Y98 PolarHBondContact O-N 3.2Å; F95-M99 HydrophobicContact CB-CE 4.22Å
96P90.1Very high89.9Confident0 Ų054 Ų540%026%0.259CS..G310 helixtrans-59.3-24.3-178-30.139.4000115.5C78 V79 R92 Y98 M99 G168C78-P96 VanDerWaalsContact C-CG 3.41Å; V79-P96 HydrophobicContact CG2-CB 3.58Å; V79-P96 HydrophobicContact CG2-CG 4.02Å; R92-P96 WeakPolarHBondContact O-CD 3.43Å; R92-P96 WeakPolarHBondContact O-CG 3.41Å; P96-Y98 PolarHBondContact O-N 2.97Å; P96-M99 PolarHBondContact O-N 3.17Å; P96-G168 PolarHBondContact O-N 3.31Å
97T93.1Very high90Very high6 Ų647.7 Ų47.74%0.03723%0.231CC..G310 helixtrans-63.8-25.7177.1-64.50000112.4L94 F95 N141 G168 F169 V172L94-T97 PolarHBondContact O-N 2.9Å; F95-T97 PolarHBondContact O-N 2.96Å; F95-T97 VanDerWaalsContact O-N 3.09Å; T97-N141 PolarHBondContact OG1-ND2 3.27Å; T97-G168 WeakPolarHBondContact CA-O 3.25Å; T97-G168 CarbonylContact O-C 3.58Å; T97-F169 HydrophobicContact CG2-CD2 3.96Å; T97-F169 WeakPolarHBondContact O-CA 3.33Å; T97-F169 WeakPolarHBondContact O-CB 3.34Å; T97-F169 PolarHBondContact O-N 3Å; T97-V172 HydrophobicContact CG2-CG2 3.71Å
98Y92.7Very high90.1Very high17 Ų1747.9 Ų47.97%0.06723%0.229CC..G310 helixtrans-1046.5-177.8-54.5-79.5000113F37 Q38 L94 F95 P96 I133 V134 F169F37-Y98 HydrophobicContact CE1-CG 4.37Å; Q38-Y98 HydrophobicContact CG-CD1 4.37Å; L94-Y98 HydrophobicContact CD1-CE2 4Å; L94-Y98 WeakPolarHBondContact O-CD2 3.44Å; F95-Y98 PolarHBondContact O-N 3.2Å; P96-Y98 PolarHBondContact O-N 2.97Å; Y98-I133 HydrophobicContact CE1-CG2 4.2Å; Y98-I133 PolarHBondContact OH-O 2.97Å; Y98-V134 WeakPolarHBondContact OH-CA 3.24Å; Y98-F169 HydrophobicContact CD1-CD2 4.02Å; Y98-F169 HydrophobicContact CD1-CE2 4.07Å; Y98-F169 HydrophobicContact CE1-CD2 4.05Å; Y98-F169 AromaticContact CE1-CE2 3.68Å; Y98-F169 HydrophobicContact CE1-CE2 3.68Å
99M88.6Confident90.3Very high25 Ų2541.2 Ų41.212%0.12320%0.2CC..  trans-102.8144.8177.7-64.8-179.2178.600110.5L49 F95 P96 G168L49-M99 HydrophobicContact CB-CE 3.95Å; L49-M99 HydrophobicContact CD2-CE 3.42Å; L49-M99 VanDerWaalsContact CD2-CE 3.42Å; L49-M99 HydrophobicContact CD2-CG 4.41Å; L49-M99 HydrophobicContact CG-CE 4.29Å; F95-M99 HydrophobicContact CB-CE 4.22Å; P96-M99 PolarHBondContact O-N 3.17Å; M99-G168 WeakPolarHBondContact O-CA 3.41Å; M99-G168 PolarHBondContact O-N 3.24Å; M99-G168 VanDerWaalsContact O-N 3.07Å
100H88.1Confident90.7Very high19 Ų1938.7 Ų38.79%0.08819%0.188CC..  trans-123.3142.4178.7-64.281.4000110.3Q38 Y42 L106 N109Q38-H100 PolarHBondContact OE1-CE1 3.24Å; Y42-H100 HydrophobicContact CD2-CB 4.04Å; H100-L106 HydrophobicContact CB-CB 3.98Å; H100-L106 HydrophobicContact CB-CD1 4.46Å; H100-N109 PolarHBondContact CD2-ND2 3.31Å; H100-N109 PolarHBondContact NE2-ND2 2.65Å
101A82.1Confident90.9Very high34 Ų3435 Ų3528%0.28117%0.17SC..SBendtrans-75.7-34.6-174.900000113M1 V167M1-A101 HydrophobicContact CE-CB 3.89Å; M1-A101 HydrophobicContact SD-CB 3.9Å; A101-V167 HydrophobicContact CB-CG2 4.06Å
102D84.2Confident91.2Very high67 Ų6733.5 Ų33.536%0.35817%0.166SC..SBendtrans-151.6170.7-174.561.688.3000110.4M104 H105 L106D102-M104 PolarHBondContact OD1-N 3.49Å; D102-H105 WeakPolarHBondContact OD1-CB 3.49Å; D102-H105 PolarHBondContact OD1-N 2.83Å; D102-H105 WeakPolarHBondContact OD2-CB 3.5Å; D102-L106 PolarHBondContact O-N 2.83Å; D102-L106 VanDerWaalsContact O-N 3.12Å
103D88.6Confident91.5Very high33 Ų3333 Ų3318%0.17616%0.164CC..Hα-helixtrans-74.9-34.3-171.164.6-30.1000112.4I10 G11 Y42 L106 Y107I10-D103 PolarHBondContact N-OD2 3.19Å; I10-D103 VanDerWaalsContact N-OD2 3.14Å; G11-D103 PolarHBondContact N-OD2 3.1Å; Y42-D103 HydrophobicContact CE1-CB 3.83Å; Y42-D103 WeakPolarHBondContact OH-CA 3.28Å; Y42-D103 WeakPolarHBondContact OH-CB 3.44Å; Y42-D103 PolarHBondContact OH-N 3.06Å; D103-L106 WeakPolarHBondContact O-CB 3.11Å; D103-L106 PolarHBondContact O-N 2.96Å; D103-Y107 WeakPolarHBondContact O-CB 3.47Å; D103-Y107 PolarHBondContact O-N 2.67Å
104M89.4Confident91.7Very high54 Ų5431.8 Ų31.827%0.26616%0.158SC..Hα-helixtrans-70.7-38.9175.2-67.8-55.9-61.900111.6L14 D102 L106 Y107 Y108L14-M104 HydrophobicContact CD1-CE 4.4Å; L14-M104 HydrophobicContact CD1-SD 4.39Å; D102-M104 PolarHBondContact OD1-N 3.49Å; M104-L106 VanDerWaalsContact C-N 3.33Å; M104-L106 PolarHBondContact O-N 3.12Å; M104-Y107 HydrophobicContact CE-CD1 3.9Å; M104-Y107 HydrophobicContact CE-CE1 4.46Å; M104-Y107 PolarHBondContact O-N 3.19Å; M104-Y108 HydrophobicContact CB-CD2 4.48Å; M104-Y108 HydrophobicContact CB-CE2 4.34Å; M104-Y108 HydrophobicContact CE-CD2 4.35Å; M104-Y108 HydrophobicContact CE-CE2 3.51Å; M104-Y108 WeakPolarHBondContact O-CD2 3.44Å; M104-Y108 PolarHBondContact O-N 3.37Å
105H88.8Confident91.9Very high43 Ų4333.1 Ų33.120%0.19917%0.168CC..Hα-helixtrans-60.6-42171.8-179.2-167.7000111.3D102 N109D102-H105 WeakPolarHBondContact OD1-CB 3.49Å; D102-H105 PolarHBondContact OD1-N 2.83Å; D102-H105 WeakPolarHBondContact OD2-CB 3.5Å; H105-N109 PolarHBondContact CD2-ND2 3.07Å; H105-N109 PolarHBondContact NE2-ND2 3.08Å; H105-N109 WeakPolarHBondContact O-CB 3.43Å; H105-N109 VanDerWaalsContact O-CG 3.3Å; H105-N109 PolarHBondContact O-N 3.28Å
106L92.3Very high92.1Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-59.8-52170.6175.573.4000111.2V12 Q38 T39 Y42 H100 D102 D103 M104 Y108 N109 M110V12-L106 HydrophobicContact CG2-CD2 4.07Å; Q38-L106 HydrophobicContact CB-CD1 4.33Å; T39-L106 HydrophobicContact CG2-CD2 4.34Å; Y42-L106 HydrophobicContact CD1-CD2 3.6Å; Y42-L106 HydrophobicContact CE1-CD2 4.41Å; Y42-L106 HydrophobicContact CG-CB 4.47Å; Y42-L106 HydrophobicContact CG-CD2 3.73Å; H100-L106 HydrophobicContact CB-CB 3.98Å; H100-L106 HydrophobicContact CB-CD1 4.46Å; D102-L106 PolarHBondContact O-N 2.83Å; D102-L106 VanDerWaalsContact O-N 3.12Å; D103-L106 WeakPolarHBondContact O-CB 3.11Å; D103-L106 PolarHBondContact O-N 2.96Å; M104-L106 VanDerWaalsContact C-N 3.33Å; M104-L106 PolarHBondContact O-N 3.12Å; L106-Y108 PolarHBondContact O-N 3Å; L106-N109 PolarHBondContact O-N 3.07Å; L106-M110 HydrophobicContact CD1-CE 4.47Å; L106-M110 HydrophobicContact CD1-CG 3.68Å; L106-M110 HydrophobicContact CD1-SD 4.32Å; L106-M110 HydrophobicContact CG-CG 4.12Å; L106-M110 WeakPolarHBondContact O-CB 3.46Å; L106-M110 VanDerWaalsContact O-CG 3.31Å; L106-M110 WeakPolarHBondContact O-CG 3.3Å; L106-M110 PolarHBondContact O-N 3.32Å
107Y94.7Very high92.5Very high34 Ų3431.3 Ų31.313%0.13316%0.16CC..Hα-helixtrans-53.5-56.7-177.2169.4-110.4000112.1G11 L14 L15 D103 M104 N109 M110 V111G11-Y107 WeakPolarHBondContact O-CD2 3.37Å; L14-Y107 HydrophobicContact CB-CD2 3.65Å; L14-Y107 HydrophobicContact CB-CE1 4.46Å; L14-Y107 HydrophobicContact CB-CE2 3.39Å; L14-Y107 HydrophobicContact CB-CG 4.3Å; L14-Y107 HydrophobicContact CD1-CE1 4.31Å; L15-Y107 HydrophobicContact CB-CD2 4Å; D103-Y107 WeakPolarHBondContact O-CB 3.47Å; D103-Y107 PolarHBondContact O-N 2.67Å; M104-Y107 HydrophobicContact CE-CD1 3.9Å; M104-Y107 HydrophobicContact CE-CE1 4.46Å; M104-Y107 PolarHBondContact O-N 3.19Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.2Å; Y107-M110 PolarHBondContact O-N 2.98Å; Y107-V111 HydrophobicContact CD2-CG2 3.86Å; Y107-V111 HydrophobicContact CE2-CG2 3.45Å; Y107-V111 VanDerWaalsContact CE2-CG2 3.45Å; Y107-V111 WeakPolarHBondContact O-CG2 3.3Å; Y107-V111 PolarHBondContact O-N 3.3Å
108Y93.2Very high92.6Very high148 Ų14831.8 Ų31.858%0.5817%0.165SC*.Hα-helixtrans-63.6-37.8-177.6-71.2-60.2000112.5M104 L106 S112M104-Y108 HydrophobicContact CB-CD2 4.48Å; M104-Y108 HydrophobicContact CB-CE2 4.34Å; M104-Y108 HydrophobicContact CE-CD2 4.35Å; M104-Y108 HydrophobicContact CE-CE2 3.51Å; M104-Y108 WeakPolarHBondContact O-CD2 3.44Å; M104-Y108 PolarHBondContact O-N 3.37Å; L106-Y108 PolarHBondContact O-N 3Å; Y108-S112 WeakPolarHBondContact O-CB 3.39Å; Y108-S112 PolarHBondContact O-N 3.46Å
109N94.8Very high92.5Very high15 Ų1534.3 Ų34.38%0.0818%0.177CC..Hα-helixtrans-63.5-46.6174.8-78.7-7.6000111.1H100 H105 L106 Y107 S112 F113 I173H100-N109 PolarHBondContact CD2-ND2 3.31Å; H100-N109 PolarHBondContact NE2-ND2 2.65Å; H105-N109 PolarHBondContact CD2-ND2 3.07Å; H105-N109 PolarHBondContact NE2-ND2 3.08Å; H105-N109 WeakPolarHBondContact O-CB 3.43Å; H105-N109 VanDerWaalsContact O-CG 3.3Å; H105-N109 PolarHBondContact O-N 3.28Å; L106-N109 PolarHBondContact O-N 3.07Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.2Å; N109-S112 PolarHBondContact O-N 3.21Å; N109-F113 VanDerWaalsContact O-CB 3.23Å; N109-F113 WeakPolarHBondContact O-CB 3.36Å; N109-F113 PolarHBondContact O-N 2.89Å; N109-I173 VanDerWaalsContact CA-CD1 3.49Å; N109-I173 HydrophobicContact CB-CD1 3.68Å; N109-I173 WeakPolarHBondContact O-CD1 3.38Å
110M97.2Very high92.8Very high0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-71.2-35.5-176-65.6-52.895.600112.7L15 I35 Q38 L106 Y107 F113 L114 F169L15-M110 HydrophobicContact CD1-CB 3.59Å; L15-M110 HydrophobicContact CD2-CB 3.74Å; L15-M110 HydrophobicContact CD2-CG 3.9Å; L15-M110 HydrophobicContact CG-CB 4.33Å; I35-M110 HydrophobicContact CB-SD 4.38Å; I35-M110 HydrophobicContact CG1-CB 4.47Å; I35-M110 HydrophobicContact CG1-SD 4.11Å; I35-M110 HydrophobicContact CG2-CB 4.28Å; I35-M110 HydrophobicContact CG2-CG 4.36Å; I35-M110 HydrophobicContact CG2-SD 4.49Å; Q38-M110 HydrophobicContact CB-CE 4.43Å; Q38-M110 HydrophobicContact CB-SD 3.97Å; L106-M110 HydrophobicContact CD1-CE 4.47Å; L106-M110 HydrophobicContact CD1-CG 3.68Å; L106-M110 HydrophobicContact CD1-SD 4.32Å; L106-M110 HydrophobicContact CG-CG 4.12Å; L106-M110 WeakPolarHBondContact O-CB 3.46Å; L106-M110 VanDerWaalsContact O-CG 3.31Å; L106-M110 WeakPolarHBondContact O-CG 3.3Å; L106-M110 PolarHBondContact O-N 3.32Å; Y107-M110 PolarHBondContact O-N 2.98Å; M110-F113 PolarHBondContact O-N 3.49Å; M110-L114 VanDerWaalsContact O-CB 3.3Å; M110-L114 WeakPolarHBondContact O-CB 3.28Å; M110-L114 PolarHBondContact O-N 3.47Å; M110-F169 HydrophobicContact CE-CB 4.32Å; M110-F169 HydrophobicContact CE-CD1 4.11Å; M110-F169 HydrophobicContact CE-CG 4.45Å
111V95.6Very high93.1Very high30 Ų3032.3 Ų32.318%0.18217%0.167CC..Hα-helixtrans-66.7-44.8173.2174.60000111.1L15 E18 Y107 F113 L114 V115L15-V111 HydrophobicContact CD1-CG2 4.26Å; E18-V111 HydrophobicContact CB-CG2 4.25Å; E18-V111 HydrophobicContact CG-CG1 4.25Å; E18-V111 HydrophobicContact CG-CG2 3.92Å; Y107-V111 HydrophobicContact CD2-CG2 3.86Å; Y107-V111 HydrophobicContact CE2-CG2 3.45Å; Y107-V111 VanDerWaalsContact CE2-CG2 3.45Å; Y107-V111 WeakPolarHBondContact O-CG2 3.3Å; Y107-V111 PolarHBondContact O-N 3.3Å; V111-F113 VanDerWaalsContact C-N 3.28Å; V111-F113 PolarHBondContact O-N 3.29Å; V111-L114 WeakPolarHBondContact O-CB 3.45Å; V111-L114 PolarHBondContact O-N 2.83Å; V111-V115 PolarHBondContact O-N 3.4Å
112S95.3Very high93.6Very high25 Ų2534.8 Ų34.818%0.17518%0.181CC..Hα-helixtrans-64.4-35.7177-170.90000111.9Y108 N109 K116 I173Y108-S112 WeakPolarHBondContact O-CB 3.39Å; Y108-S112 PolarHBondContact O-N 3.46Å; N109-S112 PolarHBondContact O-N 3.21Å; S112-K116 WeakPolarHBondContact O-CG 3.4Å; S112-K116 PolarHBondContact O-N 2.86Å; S112-K116 PolarHBondContact O-NZ 2.97Å; S112-K116 PolarHBondContact OG-NZ 3.22Å; S112-I173 WeakPolarHBondContact OG-CG2 3.36Å
113F98Very high93.9Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-71.3-39.3173.9177.8-120.3000112.7T31 L34 I35 N109 M110 V111 V115 K116 G117 F129 I133 F169 I173 L176T31-F113 HydrophobicContact CG2-CD1 4.24Å; T31-F113 HydrophobicContact CG2-CE1 3.84Å; T31-F113 HydrophobicContact CG2-CZ 4.2Å; L34-F113 HydrophobicContact CB-CE1 3.69Å; L34-F113 HydrophobicContact CB-CZ 4.08Å; L34-F113 HydrophobicContact CD1-CE1 4.2Å; L34-F113 HydrophobicContact CD1-CZ 3.69Å; I35-F113 HydrophobicContact CD1-CD1 4.26Å; I35-F113 HydrophobicContact CG1-CD1 3.73Å; I35-F113 HydrophobicContact CG1-CE1 4.11Å; N109-F113 VanDerWaalsContact O-CB 3.23Å; N109-F113 WeakPolarHBondContact O-CB 3.36Å; N109-F113 PolarHBondContact O-N 2.89Å; M110-F113 PolarHBondContact O-N 3.49Å; V111-F113 VanDerWaalsContact C-N 3.28Å; V111-F113 PolarHBondContact O-N 3.29Å; F113-V115 VanDerWaalsContact C-N 3.34Å; F113-V115 PolarHBondContact O-N 2.95Å; F113-K116 PolarHBondContact O-N 3.48Å; F113-G117 WeakPolarHBondContact O-CA 3.42Å; F113-G117 PolarHBondContact O-N 3.03Å; F113-F129 HydrophobicContact CE2-CE1 4.17Å; F113-F129 AromaticContact CE2-CZ 3.81Å; F113-F129 HydrophobicContact CE2-CZ 3.81Å; F113-F129 AromaticContact CZ-CE1 3.98Å; F113-F129 HydrophobicContact CZ-CE1 3.98Å; F113-F129 HydrophobicContact CZ-CZ 4.12Å; F113-I133 HydrophobicContact CE2-CD1 3.92Å; F113-F169 HydrophobicContact CB-CD1 4.46Å; F113-F169 HydrophobicContact CB-CE1 4.2Å; F113-F169 HydrophobicContact CD1-CE1 4.26Å; F113-F169 AromaticContact CD2-CE1 3.53Å; F113-F169 HydrophobicContact CD2-CE1 3.53Å; F113-F169 HydrophobicContact CD2-CZ 4.24Å; F113-F169 AromaticContact CE2-CE1 3.88Å; F113-F169 HydrophobicContact CE2-CE1 3.88Å; F113-F169 HydrophobicContact CE2-CZ 4.13Å; F113-F169 HydrophobicContact CG-CD1 4.4Å; F113-F169 AromaticContact CG-CE1 3.72Å; F113-F169 HydrophobicContact CG-CE1 3.72Å; F113-F169 HydrophobicContact CZ-CE1 4.4Å; F113-F169 HydrophobicContact CZ-CZ 4.49Å; F113-I173 HydrophobicContact CB-CD1 4.31Å; F113-I173 HydrophobicContact CB-CG1 4.24Å; F113-L176 HydrophobicContact CD2-CD1 3.64Å; F113-L176 HydrophobicContact CE2-CD1 3.68Å
114L97.6Very high94Very high1 Ų133.5 Ų33.51%0.00517%0.173CC..Hα-helixtrans-53.2-51.2177.7172.660000111.1L19 Y22 V27 I35 M110 V111 A118L19-L114 HydrophobicContact CD2-CD1 4.24Å; L19-L114 HydrophobicContact CD2-CD2 4.12Å; Y22-L114 HydrophobicContact CD1-CD1 4.25Å; Y22-L114 HydrophobicContact CD2-CD2 3.97Å; Y22-L114 HydrophobicContact CD2-CG 4.2Å; Y22-L114 HydrophobicContact CE1-CD1 4.35Å; Y22-L114 HydrophobicContact CE2-CG 4.4Å; Y22-L114 HydrophobicContact CG-CD1 4.39Å; Y22-L114 HydrophobicContact CG-CD2 3.94Å; Y22-L114 HydrophobicContact CG-CG 4.36Å; V27-L114 HydrophobicContact CB-CD1 4.32Å; V27-L114 HydrophobicContact CG1-CD1 3.65Å; V27-L114 HydrophobicContact CG2-CD1 3.69Å; I35-L114 HydrophobicContact CD1-CB 3.92Å; I35-L114 HydrophobicContact CD1-CD1 4.04Å; M110-L114 VanDerWaalsContact O-CB 3.3Å; M110-L114 WeakPolarHBondContact O-CB 3.28Å; M110-L114 PolarHBondContact O-N 3.47Å; V111-L114 WeakPolarHBondContact O-CB 3.45Å; V111-L114 PolarHBondContact O-N 2.83Å; L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.39Å
115V94.8Very high94.1Very high85 Ų8532.2 Ų32.252%0.51517%0.173SC..Hα-helixtrans-64-46.6-179.5178.40000111.5V111 F113 Q119V111-V115 PolarHBondContact O-N 3.4Å; F113-V115 VanDerWaalsContact C-N 3.34Å; F113-V115 PolarHBondContact O-N 2.95Å; V115-Q119 PolarHBondContact O-N 2.89Å; V115-Q119 VanDerWaalsContact O-N 3.17Å
116K95.6Very high94.4Very high22 Ų2232.6 Ų32.610%0.09618%0.179CC..Hα-helixtrans-71.2-40.5-177.1-66.3173.7-179.663.40112.3S112 F113 Q119 L120 I173 L176 K177S112-K116 WeakPolarHBondContact O-CG 3.4Å; S112-K116 PolarHBondContact O-N 2.86Å; S112-K116 PolarHBondContact O-NZ 2.97Å; S112-K116 PolarHBondContact OG-NZ 3.22Å; F113-K116 PolarHBondContact O-N 3.48Å; K116-Q119 PolarHBondContact O-N 3.34Å; K116-L120 WeakPolarHBondContact O-CB 3.27Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.41Å; K116-L120 PolarHBondContact O-N 3.41Å; K116-I173 HydrophobicContact CD-CG2 3.92Å; K116-I173 WeakPolarHBondContact CD-O 3.33Å; K116-L176 HydrophobicContact CB-CB 4.14Å; K116-L176 HydrophobicContact CB-CD1 4.47Å; K116-L176 HydrophobicContact CD-CB 4Å; K116-K177 HydrophobicContact CD-CB 4.3Å; K116-K177 VanDerWaalsContact CE-CB 3.46Å
117G96.7Very high94.5Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-65.6-42.6175.900000111.5T31 F113 Q119 L120 E121T31-G117 WeakPolarHBondContact OG1-CA 3.39Å; F113-G117 WeakPolarHBondContact O-CA 3.42Å; F113-G117 PolarHBondContact O-N 3.03Å; G117-Q119 PolarHBondContact O-N 3.44Å; G117-L120 PolarHBondContact O-N 3.06Å; G117-E121 WeakPolarHBondContact O-CB 3.31Å; G117-E121 PolarHBondContact O-N 3.45Å
118A95.1Very high94.3Very high16 Ų1633 Ų3313%0.13219%0.191CC..Hα-helixtrans-60.9-32.9174.200000113.5Y22 L114 P122Y22-A118 WeakPolarHBondContact OH-CB 3.21Å; L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.39Å; A118-P122 VanDerWaalsContact O-CD 3.24Å; A118-P122 WeakPolarHBondContact O-CD 3.32Å; A118-P122 WeakPolarHBondContact O-CG 3.5Å
119Q92.2Very high94.4Very high69 Ų6926 Ų2632%0.32216%0.164SC..Hα-helixtrans-77.4-42175.6-171.6-178.65.200112.8V115 K116 G117 L123 C180V115-Q119 PolarHBondContact O-N 2.89Å; V115-Q119 VanDerWaalsContact O-N 3.17Å; K116-Q119 PolarHBondContact O-N 3.34Å; G117-Q119 PolarHBondContact O-N 3.44Å; Q119-L123 WeakPolarHBondContact O-CD1 3.43Å; Q119-L123 WeakPolarHBondContact O-CG 3.19Å; Q119-C180 PolarHBondContact OE1-SG 3.09Å
120L94.2Very high94.5Very high0 Ų028.1 Ų28.10%018%0.175CC..Hα-helixtrans-93-36.3-168.6-65.4174.8000113.7K116 G117 L123 F124 F129 L176 L179 Y183K116-L120 WeakPolarHBondContact O-CB 3.27Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.41Å; K116-L120 PolarHBondContact O-N 3.41Å; G117-L120 PolarHBondContact O-N 3.06Å; L120-L123 HydrophobicContact CD2-CD1 4.35Å; L120-L123 WeakPolarHBondContact O-CB 3.43Å; L120-L123 PolarHBondContact O-N 3.25Å; L120-F124 HydrophobicContact CB-CD2 4.11Å; L120-F124 HydrophobicContact CB-CE2 4.16Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 WeakPolarHBondContact O-CD2 3.32Å; L120-F124 PolarHBondContact O-N 3Å; L120-F124 VanDerWaalsContact O-N 3.12Å; L120-F129 HydrophobicContact CB-CD2 4.35Å; L120-F129 HydrophobicContact CB-CE2 3.94Å; L120-L176 HydrophobicContact CD1-CB 3.97Å; L120-L176 HydrophobicContact CD1-CD2 3.77Å; L120-L176 HydrophobicContact CD1-CG 4.4Å; L120-L179 HydrophobicContact CD1-CB 3.76Å; L120-L179 HydrophobicContact CD1-CD2 4.41Å; L120-L179 HydrophobicContact CD2-CB 4.07Å; L120-Y183 HydrophobicContact CD2-CD2 4.23Å
121E95.4Very high94.3Very high2 Ų230.5 Ų30.51%0.00919%0.185CC..Hα-helixtrans-58.4-43-177.5-175.8176.3159.100113P28 P29 G30 T31 G117 L123 F124 G125 T126 F129P28-E121 HydrophobicContact CB-CB 3.84Å; P28-E121 HydrophobicContact CB-CG 3.8Å; P28-E121 VanDerWaalsContact CB-OE2 3.24Å; P28-E121 WeakPolarHBondContact CB-OE2 3.5Å; P28-E121 HydrophobicContact CG-CB 4.32Å; P29-E121 WeakPolarHBondContact CD-OE1 3.29Å; G30-E121 WeakPolarHBondContact CA-OE1 3.4Å; G30-E121 WeakPolarHBondContact CA-OE2 3.39Å; G30-E121 PolarHBondContact N-OE1 2.92Å; G30-E121 PolarHBondContact N-OE2 3.33Å; T31-E121 WeakPolarHBondContact CB-OE2 3.15Å; T31-E121 PolarHBondContact N-OE2 2.93Å; T31-E121 PolarHBondContact OG1-OE2 3.44Å; G117-E121 WeakPolarHBondContact O-CB 3.31Å; G117-E121 PolarHBondContact O-N 3.45Å; E121-L123 PolarHBondContact O-N 3.23Å; E121-F124 PolarHBondContact O-N 3.32Å; E121-G125 CarbonylContact O-C 3.07Å; E121-G125 WeakPolarHBondContact O-CA 3.43Å; E121-G125 PolarHBondContact O-N 3.06Å; E121-T126 VanDerWaalsContact OE1-CB 3.31Å; E121-T126 WeakPolarHBondContact OE1-CB 3.43Å; E121-T126 VanDerWaalsContact OE1-CG2 3.27Å; E121-T126 WeakPolarHBondContact OE1-CG2 3.37Å; E121-T126 PolarHBondContact OE1-OG1 3.09Å; E121-F129 HydrophobicContact CB-CB 4.28Å; E121-F129 HydrophobicContact CB-CD1 3.74Å; E121-F129 HydrophobicContact CB-CD2 4.21Å; E121-F129 HydrophobicContact CB-CE1 4.07Å; E121-F129 HydrophobicContact CB-CG 3.81Å; E121-F129 HydrophobicContact CB-CZ 4.45Å; E121-F129 HydrophobicContact CG-CB 3.99Å; E121-F129 HydrophobicContact CG-CD1 3.78Å; E121-F129 HydrophobicContact CG-CE1 4.48Å; E121-F129 HydrophobicContact CG-CG 3.95Å
122P92.7Very high94.3Very high87 Ų8729 Ų2957%0.56518%0.177SC*.Hα-helixtrans-62.9-29.7175.4-23.836.2000113.7P28 A118P28-P122 HydrophobicContact CG-CG 4Å; A118-P122 VanDerWaalsContact O-CD 3.24Å; A118-P122 WeakPolarHBondContact O-CD 3.32Å; A118-P122 WeakPolarHBondContact O-CG 3.5Å
123L90Very high94.4Very high63 Ų6327.9 Ų27.933%0.3317%0.168SC..Hα-helixtrans-75.3-32.8179.5-61.7175.8000112.6Q119 L120 E121 Y183Q119-L123 WeakPolarHBondContact O-CD1 3.43Å; Q119-L123 WeakPolarHBondContact O-CG 3.19Å; L120-L123 HydrophobicContact CD2-CD1 4.35Å; L120-L123 WeakPolarHBondContact O-CB 3.43Å; L120-L123 PolarHBondContact O-N 3.25Å; E121-L123 PolarHBondContact O-N 3.23Å; L123-Y183 HydrophobicContact CD1-CG 4.48Å
124F90.2Very high94.3Very high9 Ų931.2 Ų31.24%0.03919%0.188CC..Hα-helixtrans-99-21.4-176.1-74-61.9000113.8L120 E121 Y128 F129 L132 L179 Y183 Y233L120-F124 HydrophobicContact CB-CD2 4.11Å; L120-F124 HydrophobicContact CB-CE2 4.16Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 WeakPolarHBondContact O-CD2 3.32Å; L120-F124 PolarHBondContact O-N 3Å; L120-F124 VanDerWaalsContact O-N 3.12Å; E121-F124 PolarHBondContact O-N 3.32Å; F124-Y128 HydrophobicContact CB-CD1 4Å; F124-Y128 AromaticContact CD1-CD1 3.77Å; F124-Y128 HydrophobicContact CD1-CD1 3.77Å; F124-Y128 AromaticContact CD1-CE1 3.79Å; F124-Y128 HydrophobicContact CD1-CE1 3.79Å; F124-Y128 HydrophobicContact CE1-CE1 4.29Å; F124-Y128 HydrophobicContact CG-CD1 4.15Å; F124-F129 HydrophobicContact CB-CB 4.32Å; F124-F129 HydrophobicContact CD2-CD2 4.49Å; F124-L132 HydrophobicContact CD1-CD1 4.14Å; F124-L132 HydrophobicContact CD2-CD1 4.16Å; F124-L132 HydrophobicContact CE1-CD1 4.27Å; F124-L132 HydrophobicContact CE2-CD1 4.27Å; F124-L132 HydrophobicContact CG-CD1 4.1Å; F124-L132 HydrophobicContact CZ-CD1 4.34Å; F124-L179 HydrophobicContact CE2-CD2 4.01Å; F124-L179 HydrophobicContact CZ-CD2 4.08Å; F124-Y183 HydrophobicContact CE1-CE2 4.43Å; F124-Y183 HydrophobicContact CE2-CE2 4.31Å; F124-Y183 HydrophobicContact CZ-CD2 4.13Å; F124-Y183 HydrophobicContact CZ-CE1 4.46Å; F124-Y183 AromaticContact CZ-CE2 3.54Å; F124-Y183 HydrophobicContact CZ-CE2 3.54Å; F124-Y183 AromaticContact CZ-CZ 3.72Å; F124-Y233 HydrophobicContact CE1-CE1 4.39Å; F124-Y233 WeakPolarHBondContact CE1-OH 3.15Å; F124-Y233 HydrophobicContact CZ-CE1 4.17Å
125G92.2Very high94.2Very high27 Ų2732.2 Ų32.228%0.27820%0.195SC..  trans77.5143.9-164.400000111.8E121 G127 Y128 F129E121-G125 CarbonylContact O-C 3.07Å; E121-G125 WeakPolarHBondContact O-CA 3.43Å; E121-G125 PolarHBondContact O-N 3.06Å; G125-G127 PolarHBondContact O-N 3.14Å; G125-Y128 PolarHBondContact O-N 3Å; G125-F129 WeakPolarHBondContact O-CB 3.49Å; G125-F129 PolarHBondContact O-N 3.25Å
126T94.5Very high94.3Very high52 Ų5228.1 Ų28.132%0.31917%0.17SC..Hα-helixtrans-53.5-45.7-173.4-57.40000113.8P29 E121 F129 L130P29-T126 HydrophobicContact CG-CG2 4.17Å; E121-T126 VanDerWaalsContact OE1-CB 3.31Å; E121-T126 WeakPolarHBondContact OE1-CB 3.43Å; E121-T126 VanDerWaalsContact OE1-CG2 3.27Å; E121-T126 WeakPolarHBondContact OE1-CG2 3.37Å; E121-T126 PolarHBondContact OE1-OG1 3.09Å; T126-F129 PolarHBondContact O-N 3.49Å; T126-L130 HydrophobicContact CG2-CD1 4.11Å; T126-L130 HydrophobicContact CG2-CG 4.43Å; T126-L130 WeakPolarHBondContact O-CG 3.2Å; T126-L130 PolarHBondContact O-N 2.96Å
127G93.3Very high94.4Very high35 Ų3527.1 Ų27.136%0.36117%0.166SC..Hα-helixtrans-61.9-49.3-177.300000112.9G125 L130 F131G125-G127 PolarHBondContact O-N 3.14Å; G127-L130 PolarHBondContact O-N 3.08Å; G127-F131 PolarHBondContact O-N 3Å; G127-F131 VanDerWaalsContact O-N 3.11Å
128Y92.5Very high94.3Very high7 Ų729.5 Ų29.53%0.02718%0.18CC..Hα-helixtrans-70.4-36.4178.2-172.7-99.1000111.7F124 G125 L130 F131 L132 Y233 D243 Y246F124-Y128 HydrophobicContact CB-CD1 4Å; F124-Y128 AromaticContact CD1-CD1 3.77Å; F124-Y128 HydrophobicContact CD1-CD1 3.77Å; F124-Y128 AromaticContact CD1-CE1 3.79Å; F124-Y128 HydrophobicContact CD1-CE1 3.79Å; F124-Y128 HydrophobicContact CE1-CE1 4.29Å; F124-Y128 HydrophobicContact CG-CD1 4.15Å; G125-Y128 PolarHBondContact O-N 3Å; Y128-L130 PolarHBondContact O-N 3.23Å; Y128-F131 HydrophobicContact CD2-CD1 4.1Å; Y128-F131 HydrophobicContact CE2-CD1 4.1Å; Y128-F131 HydrophobicContact CE2-CE1 4.35Å; Y128-F131 WeakPolarHBondContact O-CB 3.34Å; Y128-F131 PolarHBondContact O-N 3.38Å; Y128-L132 HydrophobicContact CD1-CD1 3.79Å; Y128-L132 HydrophobicContact CD1-CG 3.87Å; Y128-L132 HydrophobicContact CE1-CD1 3.53Å; Y128-L132 HydrophobicContact CE1-CD2 3.8Å; Y128-L132 HydrophobicContact CE1-CG 3.6Å; Y128-L132 WeakPolarHBondContact O-CG 3.48Å; Y128-L132 PolarHBondContact O-N 2.9Å; Y128-Y233 WeakPolarHBondContact CE1-OH 3.4Å; Y128-Y233 PolarHBondContact OH-OH 3.33Å; Y128-D243 VanDerWaalsContact CZ-OD1 3.26Å; Y128-D243 PolarHBondContact OH-OD1 2.94Å; Y128-Y246 AromaticContact CD2-CD1 3.73Å; Y128-Y246 HydrophobicContact CD2-CD1 3.73Å; Y128-Y246 HydrophobicContact CD2-CG 4.16Å
129F95.1Very high94.4Very high0 Ų031.4 Ų31.40%019%0.188CC..Hα-helixtrans-58.8-47.8174.2-178.2-107.9000111.7F113 L120 E121 F124 G125 T126 F131 L132 I133 L176F113-F129 HydrophobicContact CE2-CE1 4.17Å; F113-F129 AromaticContact CE2-CZ 3.81Å; F113-F129 HydrophobicContact CE2-CZ 3.81Å; F113-F129 AromaticContact CZ-CE1 3.98Å; F113-F129 HydrophobicContact CZ-CE1 3.98Å; F113-F129 HydrophobicContact CZ-CZ 4.12Å; L120-F129 HydrophobicContact CB-CD2 4.35Å; L120-F129 HydrophobicContact CB-CE2 3.94Å; E121-F129 HydrophobicContact CB-CB 4.28Å; E121-F129 HydrophobicContact CB-CD1 3.74Å; E121-F129 HydrophobicContact CB-CD2 4.21Å; E121-F129 HydrophobicContact CB-CE1 4.07Å; E121-F129 HydrophobicContact CB-CG 3.81Å; E121-F129 HydrophobicContact CB-CZ 4.45Å; E121-F129 HydrophobicContact CG-CB 3.99Å; E121-F129 HydrophobicContact CG-CD1 3.78Å; E121-F129 HydrophobicContact CG-CE1 4.48Å; E121-F129 HydrophobicContact CG-CG 3.95Å; F124-F129 HydrophobicContact CB-CB 4.32Å; F124-F129 HydrophobicContact CD2-CD2 4.49Å; G125-F129 WeakPolarHBondContact O-CB 3.49Å; G125-F129 PolarHBondContact O-N 3.25Å; T126-F129 PolarHBondContact O-N 3.49Å; F129-F131 VanDerWaalsContact C-N 3.33Å; F129-F131 PolarHBondContact O-N 2.84Å; F129-L132 WeakPolarHBondContact O-CB 3.38Å; F129-L132 PolarHBondContact O-N 3.48Å; F129-L132 VanDerWaalsContact O-N 3.15Å; F129-I133 HydrophobicContact CD1-CG1 4.35Å; F129-I133 HydrophobicContact CE1-CD1 4.29Å; F129-I133 HydrophobicContact CE1-CG1 4.03Å; F129-I133 HydrophobicContact CE2-CD1 4.14Å; F129-I133 HydrophobicContact CE2-CG1 4.48Å; F129-I133 HydrophobicContact CZ-CD1 3.86Å; F129-I133 HydrophobicContact CZ-CG1 4.1Å; F129-I133 WeakPolarHBondContact O-CG1 3.01Å; F129-I133 PolarHBondContact O-N 3.42Å; F129-L176 HydrophobicContact CE2-CD2 4.13Å; F129-L176 HydrophobicContact CZ-CD1 4.48Å
130L95.2Very high94.7Very high61 Ų6128.4 Ų28.432%0.31917%0.174SC..Hα-helixtrans-61.5-40.7176-69.3177.1000112.2L34 T126 G127 Y128 L132 I133 V134L34-L130 HydrophobicContact CD1-CD2 3.55Å; L34-L130 HydrophobicContact CG-CD2 3.88Å; T126-L130 HydrophobicContact CG2-CD1 4.11Å; T126-L130 HydrophobicContact CG2-CG 4.43Å; T126-L130 WeakPolarHBondContact O-CG 3.2Å; T126-L130 PolarHBondContact O-N 2.96Å; G127-L130 PolarHBondContact O-N 3.08Å; Y128-L130 PolarHBondContact O-N 3.23Å; L130-L132 PolarHBondContact O-N 3.15Å; L130-I133 PolarHBondContact O-N 3.5Å; L130-V134 PolarHBondContact O-N 3.23Å; L130-V134 VanDerWaalsContact O-N 3.12Å
131F94.4Very high94.8Very high49 Ų4928.8 Ų28.822%0.21518%0.176CC..Hα-helixtrans-59.6-43.8173.2169.7-106.1000112.1G127 Y128 F129 V134 T135 L242 L245 Y246G127-F131 PolarHBondContact O-N 3Å; G127-F131 VanDerWaalsContact O-N 3.11Å; Y128-F131 HydrophobicContact CD2-CD1 4.1Å; Y128-F131 HydrophobicContact CE2-CD1 4.1Å; Y128-F131 HydrophobicContact CE2-CE1 4.35Å; Y128-F131 WeakPolarHBondContact O-CB 3.34Å; Y128-F131 PolarHBondContact O-N 3.38Å; F129-F131 VanDerWaalsContact C-N 3.33Å; F129-F131 PolarHBondContact O-N 2.84Å; F131-V134 PolarHBondContact O-N 3.27Å; F131-T135 VanDerWaalsContact O-CB 3.25Å; F131-T135 WeakPolarHBondContact O-CB 3.45Å; F131-T135 PolarHBondContact O-N 3.07Å; F131-T135 PolarHBondContact O-OG1 3.11Å; F131-L242 HydrophobicContact CE1-CB 4.09Å; F131-L242 HydrophobicContact CE1-CD2 4.2Å; F131-L242 HydrophobicContact CZ-CD2 4.11Å; F131-L245 HydrophobicContact CZ-CB 4.19Å; F131-Y246 HydrophobicContact CB-CD2 4.33Å; F131-Y246 HydrophobicContact CD1-CG 4.31Å; F131-Y246 HydrophobicContact CD2-CD2 4.31Å; F131-Y246 HydrophobicContact CG-CD2 4.13Å; F131-Y246 HydrophobicContact CG-CG 4.38Å
132L94.8Very high94.9Very high0 Ų032 Ų320%020%0.195CC..Hα-helixtrans-60.8-43.8174.5-73.7179.7000111.9F124 Y128 F129 L130 V134 T135 F136 Y233 L242F124-L132 HydrophobicContact CD1-CD1 4.14Å; F124-L132 HydrophobicContact CD2-CD1 4.16Å; F124-L132 HydrophobicContact CE1-CD1 4.27Å; F124-L132 HydrophobicContact CE2-CD1 4.27Å; F124-L132 HydrophobicContact CG-CD1 4.1Å; F124-L132 HydrophobicContact CZ-CD1 4.34Å; Y128-L132 HydrophobicContact CD1-CD1 3.79Å; Y128-L132 HydrophobicContact CD1-CG 3.87Å; Y128-L132 HydrophobicContact CE1-CD1 3.53Å; Y128-L132 HydrophobicContact CE1-CD2 3.8Å; Y128-L132 HydrophobicContact CE1-CG 3.6Å; Y128-L132 WeakPolarHBondContact O-CG 3.48Å; Y128-L132 PolarHBondContact O-N 2.9Å; F129-L132 WeakPolarHBondContact O-CB 3.38Å; F129-L132 PolarHBondContact O-N 3.48Å; F129-L132 VanDerWaalsContact O-N 3.15Å; L130-L132 PolarHBondContact O-N 3.15Å; L132-V134 PolarHBondContact O-N 3.5Å; L132-T135 PolarHBondContact O-N 3.33Å; L132-F136 HydrophobicContact CD2-CE1 4.24Å; L132-F136 HydrophobicContact CD2-CZ 4.32Å; L132-F136 VanDerWaalsContact O-CB 3.29Å; L132-F136 WeakPolarHBondContact O-CB 3.45Å; L132-F136 VanDerWaalsContact O-CG 3.31Å; L132-F136 WeakPolarHBondContact O-CG 3.35Å; L132-F136 PolarHBondContact O-N 3.48Å; L132-Y233 HydrophobicContact CD2-CD2 4.24Å; L132-Y233 HydrophobicContact CD2-CE2 3.47Å; L132-Y233 VanDerWaalsContact CD2-CE2 3.47Å; L132-L242 HydrophobicContact CD2-CD1 3.84Å
133I97.2Very high95.1Very high0 Ų030.6 Ų30.60%018%0.182CC..Hα-helixtrans-59.6-47.9179.3-65.6-54.2000111.6L34 Y98 F113 F129 L130 G137 F169 V172 L176L34-I133 HydrophobicContact CD1-CB 4.15Å; L34-I133 HydrophobicContact CD1-CG1 3.89Å; L34-I133 HydrophobicContact CD1-CG2 3.81Å; Y98-I133 HydrophobicContact CE1-CG2 4.2Å; Y98-I133 PolarHBondContact OH-O 2.97Å; F113-I133 HydrophobicContact CE2-CD1 3.92Å; F129-I133 HydrophobicContact CD1-CG1 4.35Å; F129-I133 HydrophobicContact CE1-CD1 4.29Å; F129-I133 HydrophobicContact CE1-CG1 4.03Å; F129-I133 HydrophobicContact CE2-CD1 4.14Å; F129-I133 HydrophobicContact CE2-CG1 4.48Å; F129-I133 HydrophobicContact CZ-CD1 3.86Å; F129-I133 HydrophobicContact CZ-CG1 4.1Å; F129-I133 WeakPolarHBondContact O-CG1 3.01Å; F129-I133 PolarHBondContact O-N 3.42Å; L130-I133 PolarHBondContact O-N 3.5Å; I133-G137 PolarHBondContact O-N 3.26Å; I133-G137 VanDerWaalsContact O-N 3.07Å; I133-F169 HydrophobicContact CD1-CZ 4.31Å; I133-F169 HydrophobicContact CG2-CE2 3.72Å; I133-F169 HydrophobicContact CG2-CZ 3.66Å; I133-V172 HydrophobicContact CD1-CG1 3.82Å; I133-V172 HydrophobicContact CG2-CG1 4.42Å; I133-L176 HydrophobicContact CD1-CD1 3.72Å; I133-L176 HydrophobicContact CD1-CD2 3.92Å; I133-L176 HydrophobicContact CD1-CG 4.21Å
134V95.8Very high95.4Very high70 Ų7027.7 Ų27.742%0.42417%0.167SC..Hα-helixtrans-64.1-46.1178.3176.50000110.9L94 Y98 L130 F131 L132 G137 V138L94-V134 HydrophobicContact CD1-CG1 4.14Å; Y98-V134 WeakPolarHBondContact OH-CA 3.24Å; L130-V134 PolarHBondContact O-N 3.23Å; L130-V134 VanDerWaalsContact O-N 3.12Å; F131-V134 PolarHBondContact O-N 3.27Å; L132-V134 PolarHBondContact O-N 3.5Å; V134-G137 PolarHBondContact O-N 3.12Å; V134-V138 PolarHBondContact O-N 3.32Å; V134-V138 VanDerWaalsContact O-N 3.15Å
135T95.4Very high95.7Very high22 Ų2228 Ų2814%0.13517%0.17CC..Hα-helixtrans-62.7-47.1-179.5-60.90000111.8F131 L132 G137 V138 L139 L242F131-T135 VanDerWaalsContact O-CB 3.25Å; F131-T135 WeakPolarHBondContact O-CB 3.45Å; F131-T135 PolarHBondContact O-N 3.07Å; F131-T135 PolarHBondContact O-OG1 3.11Å; L132-T135 PolarHBondContact O-N 3.33Å; T135-G137 VanDerWaalsContact C-N 3.33Å; T135-G137 PolarHBondContact O-N 2.95Å; T135-V138 PolarHBondContact O-N 3.07Å; T135-L139 HydrophobicContact CG2-CD1 3.75Å; T135-L139 HydrophobicContact CG2-CG 4.15Å; T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 WeakPolarHBondContact O-CG 3.47Å; T135-L139 PolarHBondContact O-N 3.32Å; T135-L242 HydrophobicContact CG2-CD1 3.91Å; T135-L242 HydrophobicContact CG2-CD2 3.61Å; T135-L242 HydrophobicContact CG2-CG 4.43Å
136F97.5Very high95.9Very high0 Ų029.3 Ų29.30%018%0.178CC..Hα-helixtrans-60.9-42.8177.1-75.50.3000111.2L132 V138 L139 I140 V172 A175 L176 L179 V229 Y233 L238 L242L132-F136 HydrophobicContact CD2-CE1 4.24Å; L132-F136 HydrophobicContact CD2-CZ 4.32Å; L132-F136 VanDerWaalsContact O-CB 3.29Å; L132-F136 WeakPolarHBondContact O-CB 3.45Å; L132-F136 VanDerWaalsContact O-CG 3.31Å; L132-F136 WeakPolarHBondContact O-CG 3.35Å; L132-F136 PolarHBondContact O-N 3.48Å; F136-V138 VanDerWaalsContact C-N 3.33Å; F136-V138 PolarHBondContact O-N 3.05Å; F136-L139 PolarHBondContact O-N 3.24Å; F136-I140 HydrophobicContact CB-CD1 4.29Å; F136-I140 VanDerWaalsContact O-CB 3.27Å; F136-I140 WeakPolarHBondContact O-CB 3.36Å; F136-I140 VanDerWaalsContact O-CD1 3.27Å; F136-I140 WeakPolarHBondContact O-CD1 3.27Å; F136-I140 WeakPolarHBondContact O-CG1 3.39Å; F136-I140 PolarHBondContact O-N 3.09Å; F136-V172 HydrophobicContact CB-CG1 4.41Å; F136-A175 HydrophobicContact CD2-CB 3.69Å; F136-A175 HydrophobicContact CE2-CB 4.04Å; F136-A175 HydrophobicContact CG-CB 4.38Å; F136-L176 HydrophobicContact CE2-CD2 4.45Å; F136-L179 HydrophobicContact CE2-CD1 4.07Å; F136-L179 HydrophobicContact CE2-CD2 3.95Å; F136-L179 HydrophobicContact CZ-CD1 4.18Å; F136-L179 HydrophobicContact CZ-CD2 4.16Å; F136-V229 HydrophobicContact CD1-CG1 3.86Å; F136-V229 HydrophobicContact CE1-CG1 4.27Å; F136-V229 HydrophobicContact CG-CG1 4.25Å; F136-Y233 AromaticContact CE1-CD2 3.83Å; F136-Y233 HydrophobicContact CE1-CD2 3.83Å; F136-Y233 AromaticContact CE1-CG 4Å; F136-Y233 HydrophobicContact CE1-CG 4Å; F136-Y233 HydrophobicContact CZ-CD1 4.06Å; F136-Y233 AromaticContact CZ-CD2 3.83Å; F136-Y233 HydrophobicContact CZ-CD2 3.83Å; F136-Y233 HydrophobicContact CZ-CE2 4.42Å; F136-Y233 AromaticContact CZ-CG 3.63Å; F136-Y233 HydrophobicContact CZ-CG 3.63Å; F136-L238 HydrophobicContact CE1-CD2 4.5Å; F136-L242 HydrophobicContact CE1-CD1 4.44Å
137G97.2Very high95.9Very high1 Ų129 Ų291%0.0117%0.173CC..Hα-helixtrans-53.9-49.3175.400000112.6I133 V134 T135 N141I133-G137 PolarHBondContact O-N 3.26Å; I133-G137 VanDerWaalsContact O-N 3.07Å; V134-G137 PolarHBondContact O-N 3.12Å; T135-G137 VanDerWaalsContact C-N 3.33Å; T135-G137 PolarHBondContact O-N 2.95Å; G137-N141 VanDerWaalsContact O-CG 3.26Å; G137-N141 PolarHBondContact O-N 3.41Å; G137-N141 PolarHBondContact O-ND2 2.91Å
138V96.4Very high96Very high49 Ų4927.3 Ų27.330%0.29716%0.156SC..Hα-helixtrans-66.6-48.8178.4177.70000111.8L94 V134 T135 F136 I140 N141 V142L94-V138 HydrophobicContact CD1-CG2 3.73Å; V134-V138 PolarHBondContact O-N 3.32Å; V134-V138 VanDerWaalsContact O-N 3.15Å; T135-V138 PolarHBondContact O-N 3.07Å; F136-V138 VanDerWaalsContact C-N 3.33Å; F136-V138 PolarHBondContact O-N 3.05Å; V138-I140 VanDerWaalsContact C-N 3.33Å; V138-I140 PolarHBondContact O-N 3.38Å; V138-N141 PolarHBondContact O-N 2.82Å; V138-V142 HydrophobicContact CG1-CG2 4.25Å; V138-V142 WeakPolarHBondContact O-CG2 3.2Å; V138-V142 PolarHBondContact O-N 3.02Å
139L96.9Very high96.1Very high57 Ų5731.7 Ų31.730%0.29818%0.175SC..Hα-helixtrans-62-39.4-177.9-71.4179.1000112.4T135 F136 N141 V142 M143 V229 L238T135-L139 HydrophobicContact CG2-CD1 3.75Å; T135-L139 HydrophobicContact CG2-CG 4.15Å; T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 WeakPolarHBondContact O-CG 3.47Å; T135-L139 PolarHBondContact O-N 3.32Å; F136-L139 PolarHBondContact O-N 3.24Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-V142 PolarHBondContact O-N 2.89Å; L139-M143 VanDerWaalsContact O-CB 3.32Å; L139-M143 WeakPolarHBondContact O-CB 3.08Å; L139-M143 PolarHBondContact O-N 3.2Å; L139-V229 HydrophobicContact CB-CG1 4.2Å; L139-V229 HydrophobicContact CB-CG2 4.24Å; L139-V229 HydrophobicContact CD1-CG1 4.48Å; L139-L238 HydrophobicContact CD1-CD1 3.77Å; L139-L238 HydrophobicContact CD1-CD2 3.77Å; L139-L238 HydrophobicContact CD1-CG 4.39Å
140I97.9Very high96.1Very high5 Ų533.2 Ų33.23%0.02619%0.191CC..Hα-helixtrans-63.2-44177-69.9165.1000110.2F136 V138 M143 M144 G171 V172 A175 C225 V229F136-I140 HydrophobicContact CB-CD1 4.29Å; F136-I140 VanDerWaalsContact O-CB 3.27Å; F136-I140 WeakPolarHBondContact O-CB 3.36Å; F136-I140 VanDerWaalsContact O-CD1 3.27Å; F136-I140 WeakPolarHBondContact O-CD1 3.27Å; F136-I140 WeakPolarHBondContact O-CG1 3.39Å; F136-I140 PolarHBondContact O-N 3.09Å; V138-I140 VanDerWaalsContact C-N 3.33Å; V138-I140 PolarHBondContact O-N 3.38Å; I140-M143 PolarHBondContact O-N 3.45Å; I140-M144 WeakPolarHBondContact O-CB 3.29Å; I140-M144 PolarHBondContact O-N 3.18Å; I140-G171 VanDerWaalsContact CD1-C 3.4Å; I140-G171 WeakPolarHBondContact CD1-O 3.21Å; I140-V172 HydrophobicContact CD1-CG2 4.13Å; I140-A175 HydrophobicContact CD1-CB 4.24Å; I140-C225 HydrophobicContact CG2-CB 4.02Å; I140-V229 HydrophobicContact CG1-CB 3.88Å; I140-V229 HydrophobicContact CG1-CG1 4.15Å; I140-V229 HydrophobicContact CG1-CG2 3.79Å
141N96.9Very high96.1Very high9 Ų932.5 Ų32.55%0.04819%0.187CC..Hα-helixtrans-68-40.1178.7-67.8-23.5000111.9V79 L93 T97 G137 V138 L139 M144 V145V79-N141 HydrophobicContact CG1-CB 4.19Å; V79-N141 WeakPolarHBondContact CG2-OD1 3.25Å; L93-N141 VanDerWaalsContact C-ND2 3.34Å; L93-N141 HydrophobicContact CB-CB 4.42Å; L93-N141 HydrophobicContact CD2-CB 3.85Å; L93-N141 PolarHBondContact O-ND2 2.02Å; T97-N141 PolarHBondContact OG1-ND2 3.27Å; G137-N141 VanDerWaalsContact O-CG 3.26Å; G137-N141 PolarHBondContact O-N 3.41Å; G137-N141 PolarHBondContact O-ND2 2.91Å; V138-N141 PolarHBondContact O-N 2.82Å; L139-N141 VanDerWaalsContact C-N 3.34Å; N141-M144 PolarHBondContact O-N 3.19Å; N141-V145 VanDerWaalsContact O-CG2 3.26Å; N141-V145 WeakPolarHBondContact O-CG2 3.5Å; N141-V145 PolarHBondContact O-N 2.74Å
142V97.1Very high96Very high68 Ų6832.9 Ų32.941%0.41219%0.19SC..Hα-helixtrans-59.7-47.4172.7170.30000110.5L93 V138 L139 M144 V145 A146L93-V142 HydrophobicContact CD1-CG2 4.14Å; L93-V142 HydrophobicContact CD2-CG2 4.14Å; V138-V142 HydrophobicContact CG1-CG2 4.25Å; V138-V142 WeakPolarHBondContact O-CG2 3.2Å; V138-V142 PolarHBondContact O-N 3.02Å; L139-V142 PolarHBondContact O-N 2.89Å; V142-M144 VanDerWaalsContact C-N 3.34Å; V142-M144 PolarHBondContact O-N 3.16Å; V142-V145 PolarHBondContact O-N 2.99Å; V142-A146 WeakPolarHBondContact O-CB 3.34Å; V142-A146 PolarHBondContact O-N 3.1Å
143M96.5Very high95.9Very high58 Ų5836.4 Ų36.429%0.28622%0.215SC..Hα-helixtrans-61.6-41.9177.1-172.764.872.700111.5L139 I140 V145 A146 M147 C225 I228 L232L139-M143 VanDerWaalsContact O-CB 3.32Å; L139-M143 WeakPolarHBondContact O-CB 3.08Å; L139-M143 PolarHBondContact O-N 3.2Å; I140-M143 PolarHBondContact O-N 3.45Å; M143-V145 VanDerWaalsContact C-N 3.34Å; M143-V145 PolarHBondContact O-N 3.13Å; M143-A146 PolarHBondContact O-N 3.36Å; M143-M147 VanDerWaalsContact O-CB 3.29Å; M143-M147 WeakPolarHBondContact O-CB 3.31Å; M143-M147 PolarHBondContact O-N 3.43Å; M143-C225 HydrophobicContact CB-CB 4.17Å; M143-C225 HydrophobicContact CG-CB 4.04Å; M143-I228 HydrophobicContact CE-CG2 4.29Å; M143-L232 HydrophobicContact CE-CD1 4.07Å
144M95.8Very high95.8Very high3 Ų342.4 Ų42.42%0.01525%0.245CC..Hα-helixtrans-62.7-41.7177.2-169.9179.972.600111.6V79 I140 N141 V142 S148 A166 V221V79-M144 HydrophobicContact CB-CE 3.39Å; V79-M144 HydrophobicContact CG1-CE 3.22Å; V79-M144 HydrophobicContact CG2-CE 4.22Å; I140-M144 WeakPolarHBondContact O-CB 3.29Å; I140-M144 PolarHBondContact O-N 3.18Å; N141-M144 PolarHBondContact O-N 3.19Å; V142-M144 VanDerWaalsContact C-N 3.34Å; V142-M144 PolarHBondContact O-N 3.16Å; M144-S148 VanDerWaalsContact O-CB 3.28Å; M144-S148 WeakPolarHBondContact O-CB 3.36Å; M144-S148 PolarHBondContact O-N 3.16Å; M144-S148 PolarHBondContact O-OG 3.15Å; M144-A166 HydrophobicContact CE-CB 4.06Å; M144-A166 HydrophobicContact SD-CB 4.16Å; M144-V221 HydrophobicContact CG-CB 4.45Å; M144-V221 HydrophobicContact CG-CG1 3.85Å
145V96.7Very high95.6Very high15 Ų1541.6 Ų41.69%0.09125%0.251CS..Hα-helixtrans-65.1-46.3175.7173.20000110.9V79 P81 I84 I85 L93 N141 V142 M143 S148 F149V79-V145 HydrophobicContact CG1-CG2 4.44Å; P81-V145 HydrophobicContact CB-CG1 4.38Å; P81-V145 HydrophobicContact CB-CG2 4.22Å; P81-V145 HydrophobicContact CG-CG2 4.33Å; I84-V145 HydrophobicContact CB-CG2 4.4Å; I84-V145 HydrophobicContact CD1-CG2 3.53Å; I84-V145 HydrophobicContact CG2-CG1 4.35Å; I84-V145 HydrophobicContact CG2-CG2 4.31Å; I85-V145 HydrophobicContact CD1-CG1 3.65Å; I85-V145 HydrophobicContact CG1-CG1 3.73Å; L93-V145 HydrophobicContact CD2-CG2 4.08Å; N141-V145 VanDerWaalsContact O-CG2 3.26Å; N141-V145 WeakPolarHBondContact O-CG2 3.5Å; N141-V145 PolarHBondContact O-N 2.74Å; V142-V145 PolarHBondContact O-N 2.99Å; M143-V145 VanDerWaalsContact C-N 3.34Å; M143-V145 PolarHBondContact O-N 3.13Å; V145-S148 PolarHBondContact O-N 3.18Å; V145-F149 WeakPolarHBondContact O-CB 3.27Å; V145-F149 PolarHBondContact O-N 3.17Å
146A96.6Very high95.4Very high55 Ų5544.4 Ų44.446%0.45526%0.264SS..Hα-helixtrans-61.3-46.3178.400000111.9V142 M143 F149 G150V142-A146 WeakPolarHBondContact O-CB 3.34Å; V142-A146 PolarHBondContact O-N 3.1Å; M143-A146 PolarHBondContact O-N 3.36Å; A146-F149 PolarHBondContact O-N 3.23Å; A146-G150 PolarHBondContact O-N 3.34Å
147M94.9Very high94.9Very high45 Ų4549.8 Ų49.822%0.22229%0.29CS..Hα-helixtrans-63.6-44.1176.9-169.9179.3-65.600111.4M143 F149 G150 L151 V221 L224 I228M143-M147 VanDerWaalsContact O-CB 3.29Å; M143-M147 WeakPolarHBondContact O-CB 3.31Å; M143-M147 PolarHBondContact O-N 3.43Å; M147-F149 VanDerWaalsContact C-N 3.33Å; M147-F149 PolarHBondContact O-N 3.39Å; M147-G150 PolarHBondContact O-N 3.2Å; M147-L151 HydrophobicContact CG-CD1 3.98Å; M147-L151 HydrophobicContact CG-CG 4.44Å; M147-L151 WeakPolarHBondContact O-CB 3.44Å; M147-L151 VanDerWaalsContact O-CG 3.29Å; M147-L151 WeakPolarHBondContact O-CG 3.34Å; M147-L151 PolarHBondContact O-N 2.83Å; M147-V221 HydrophobicContact CG-CG1 4.4Å; M147-V221 HydrophobicContact SD-CG1 3.72Å; M147-L224 HydrophobicContact CE-CD2 4.38Å; M147-L224 HydrophobicContact SD-CD2 4.29Å; M147-I228 HydrophobicContact CE-CD1 3.87Å
148S94.8Very high94.5Very high0 Ų056.9 Ų56.90%033%0.328CS..Hα-helixtrans-62.2-40.8177.6-59.20000112.1M144 V145 H152 Q164M144-S148 VanDerWaalsContact O-CB 3.28Å; M144-S148 WeakPolarHBondContact O-CB 3.36Å; M144-S148 PolarHBondContact O-N 3.16Å; M144-S148 PolarHBondContact O-OG 3.15Å; V145-S148 PolarHBondContact O-N 3.18Å; S148-H152 WeakPolarHBondContact O-CB 3.38Å; S148-H152 PolarHBondContact O-N 2.81Å; S148-H152 VanDerWaalsContact O-N 3.14Å; S148-Q164 PolarHBondContact OG-NE2 2.93Å
149F95.6Very high94.2Very high98 Ų9859.3 Ų59.343%0.4334%0.338SS..Hα-helixtrans-70.4-42.6176.9-180-101.9000112.2I85 V145 A146 M147 H152 S153 M162I85-F149 HydrophobicContact CD1-CB 3.74Å; I85-F149 HydrophobicContact CD1-CD2 3.72Å; I85-F149 HydrophobicContact CD1-CG 3.89Å; V145-F149 WeakPolarHBondContact O-CB 3.27Å; V145-F149 PolarHBondContact O-N 3.17Å; A146-F149 PolarHBondContact O-N 3.23Å; M147-F149 VanDerWaalsContact C-N 3.33Å; M147-F149 PolarHBondContact O-N 3.39Å; F149-H152 PolarHBondContact O-N 3.36Å; F149-S153 WeakPolarHBondContact O-CB 3.22Å; F149-S153 PolarHBondContact O-N 3.11Å; F149-S153 PolarHBondContact O-OG 3.13Å; F149-M162 HydrophobicContact CB-SD 4.26Å; F149-M162 HydrophobicContact CD2-CE 4.27Å
150G95.2Very high93.9Very high32 Ų3260.6 Ų60.633%0.3335%0.345SS..Hα-helixtrans-61.3-48.3177.200000112.1A146 M147 H152 S153 I154A146-G150 PolarHBondContact O-N 3.34Å; M147-G150 PolarHBondContact O-N 3.2Å; G150-H152 VanDerWaalsContact C-N 3.34Å; G150-H152 PolarHBondContact O-N 2.86Å; G150-S153 PolarHBondContact O-N 3.37Å; G150-S153 VanDerWaalsContact O-N 3.12Å; G150-I154 PolarHBondContact O-N 3.35Å; G150-I154 VanDerWaalsContact O-N 3.11Å
151L93.9Very high93.6Very high46 Ų4661.6 Ų61.624%0.24135%0.351CS..Hα-helixtrans-62.1-40.9176.8-69.1171.4000111.9M147 S153 I154 L156 L161M147-L151 HydrophobicContact CG-CD1 3.98Å; M147-L151 HydrophobicContact CG-CG 4.44Å; M147-L151 WeakPolarHBondContact O-CB 3.44Å; M147-L151 VanDerWaalsContact O-CG 3.29Å; M147-L151 WeakPolarHBondContact O-CG 3.34Å; M147-L151 PolarHBondContact O-N 2.83Å; L151-S153 VanDerWaalsContact C-N 3.33Å; L151-S153 PolarHBondContact O-N 2.88Å; L151-I154 HydrophobicContact CD2-CD1 4.18Å; L151-I154 WeakPolarHBondContact O-CG1 3.45Å; L151-I154 PolarHBondContact O-N 2.77Å; L151-L156 HydrophobicContact CD2-CD1 3.74Å; L151-L156 WeakPolarHBondContact O-CB 3.34Å; L151-L156 PolarHBondContact O-N 3.37Å; L151-L161 HydrophobicContact CB-CD1 4.26Å; L151-L161 HydrophobicContact CD1-CD1 3.39Å; L151-L161 HydrophobicContact CG-CD1 4.47Å
152H93.5Very high93.4Very high57 Ų5762.1 Ų62.126%0.26435%0.353SS..Hα-helixtrans-60.7-42.9173.2-177.554.2000111.6S148 F149 G150 I154 G155 E157 M162S148-H152 WeakPolarHBondContact O-CB 3.38Å; S148-H152 PolarHBondContact O-N 2.81Å; S148-H152 VanDerWaalsContact O-N 3.14Å; F149-H152 PolarHBondContact O-N 3.36Å; G150-H152 VanDerWaalsContact C-N 3.34Å; G150-H152 PolarHBondContact O-N 2.86Å; H152-I154 VanDerWaalsContact C-N 3.34Å; H152-I154 PolarHBondContact O-N 3.13Å; H152-G155 PolarHBondContact O-N 2.87Å; H152-E157 IonicContact CE1-OE1 3.41Å; H152-E157 PolarHBondContact CE1-OE1 3.12Å; H152-E157 IonicContact CE1-OE2 3.37Å; H152-E157 VanDerWaalsContact ND1-CG 3.33Å; H152-E157 WeakPolarHBondContact ND1-CG 3.45Å; H152-E157 IonicContact ND1-OE1 3.73Å; H152-M162 HydrophobicContact CB-CG 3.75Å
153S92.9Very high93.2Very high75 Ų7567.9 Ų67.952%0.52437%0.367SS..Hα-helixtrans-70-25.4-176.6-55.60000114F149 G150 L151 G155F149-S153 WeakPolarHBondContact O-CB 3.22Å; F149-S153 PolarHBondContact O-N 3.11Å; F149-S153 PolarHBondContact O-OG 3.13Å; G150-S153 PolarHBondContact O-N 3.37Å; G150-S153 VanDerWaalsContact O-N 3.12Å; L151-S153 VanDerWaalsContact C-N 3.33Å; L151-S153 PolarHBondContact O-N 2.88Å; S153-G155 VanDerWaalsContact C-N 3.28Å
154I94.7Very high92.8Very high126 Ų12666.8 Ų66.865%0.64636%0.362SS*.THydrogen-bonded Turntrans-89.714175.766.1172.1000113.3G150 L151 H152 L156G150-I154 PolarHBondContact O-N 3.35Å; G150-I154 VanDerWaalsContact O-N 3.11Å; L151-I154 HydrophobicContact CD2-CD1 4.18Å; L151-I154 WeakPolarHBondContact O-CG1 3.45Å; L151-I154 PolarHBondContact O-N 2.77Å; H152-I154 VanDerWaalsContact C-N 3.34Å; H152-I154 PolarHBondContact O-N 3.13Å; I154-L156 HydrophobicContact CD1-CD1 4Å; I154-L156 HydrophobicContact CD1-CG 4.49Å; I154-L156 HydrophobicContact CG1-CD1 4.29Å; I154-L156 HydrophobicContact CG1-CG 4.29Å
155G91Very high92.5Very high52 Ų5270.7 Ų70.754%0.53639%0.389SS..THydrogen-bonded Turntrans88.77175.500000115.5H152 S153 E157H152-G155 PolarHBondContact O-N 2.87Å; S153-G155 VanDerWaalsContact C-N 3.28Å; G155-E157 PolarHBondContact O-N 2.98Å; G155-E157 VanDerWaalsContact O-N 3.12Å
156L91.3Very high92.2Very high81 Ų8170.7 Ų70.742%0.42439%0.39SS..  trans-86.241.1174.2-60.7173.7000112.1L151 I154 N158 L159L151-L156 HydrophobicContact CD2-CD1 3.74Å; L151-L156 WeakPolarHBondContact O-CB 3.34Å; L151-L156 PolarHBondContact O-N 3.37Å; I154-L156 HydrophobicContact CD1-CD1 4Å; I154-L156 HydrophobicContact CD1-CG 4.49Å; I154-L156 HydrophobicContact CG1-CD1 4.29Å; I154-L156 HydrophobicContact CG1-CG 4.29Å; L156-N158 PolarHBondContact O-N 2.82Å; L156-L159 HydrophobicContact CB-CD1 3.97Å; L156-L159 HydrophobicContact CB-CG 4.36Å; L156-L159 HydrophobicContact CD1-CD1 4.42Å; L156-L159 PolarHBondContact O-N 3.3Å
157E87.7Confident91.9Very high113 Ų11370.2 Ų70.253%0.52838%0.381SS..G310 helixtrans-64.6-29.2-176.8-45.5-163.3158.800113H152 G155 L159 N160H152-E157 IonicContact CE1-OE1 3.41Å; H152-E157 PolarHBondContact CE1-OE1 3.12Å; H152-E157 IonicContact CE1-OE2 3.37Å; H152-E157 VanDerWaalsContact ND1-CG 3.33Å; H152-E157 WeakPolarHBondContact ND1-CG 3.45Å; H152-E157 IonicContact ND1-OE1 3.73Å; G155-E157 PolarHBondContact O-N 2.98Å; G155-E157 VanDerWaalsContact O-N 3.12Å; E157-L159 PolarHBondContact O-N 3.12Å; E157-L159 VanDerWaalsContact O-N 3.1Å; E157-N160 PolarHBondContact O-N 3.04Å
158N89.1Confident91.7Very high151 Ų15168.5 Ų68.581%0.80738%0.376SS*.G310 helixtrans-58.7-23.7179.8-67.1-25.2000113.1L156 N160L156-N158 PolarHBondContact O-N 2.82Å; N158-N160 PolarHBondContact O-N 2.65Å; N158-N160 PolarHBondContact O-ND2 2.79Å
159L89.4Confident91.7Very high99 Ų9968.5 Ų68.552%0.51838%0.376SS..G310 helixtrans-69.5-11.9175.9-60179.1000113.2L156 E157 L161L156-L159 HydrophobicContact CB-CD1 3.97Å; L156-L159 HydrophobicContact CB-CG 4.36Å; L156-L159 HydrophobicContact CD1-CD1 4.42Å; L156-L159 PolarHBondContact O-N 3.3Å; E157-L159 PolarHBondContact O-N 3.12Å; E157-L159 VanDerWaalsContact O-N 3.1Å; L159-L161 HydrophobicContact CB-CD1 4.28Å; L159-L161 HydrophobicContact CB-CD2 4.4Å; L159-L161 HydrophobicContact CB-CG 3.83Å; L159-L161 HydrophobicContact CD1-CD1 4.26Å; L159-L161 PolarHBondContact O-N 2.68Å
160N90.7Very high91.7Very high84 Ų8464.6 Ų64.645%0.44936%0.36SS..  trans53.321.3178.2-73-73.7000115.2E157 N158 M162 R163 Q164E157-N160 PolarHBondContact O-N 3.04Å; N158-N160 PolarHBondContact O-N 2.65Å; N158-N160 PolarHBondContact O-ND2 2.79Å; N160-M162 PolarHBondContact O-N 3.19Å; N160-M162 VanDerWaalsContact O-N 3.12Å; N160-R163 WeakPolarHBondContact O-CA 3.43Å; N160-R163 PolarHBondContact O-N 3.4Å; N160-R163 PolarHBondContact OD1-NH1 2.91Å; N160-Q164 PolarHBondContact O-N 3.49Å
161L91.9Very high91.8Very high27 Ų2763.3 Ų63.314%0.14135%0.347CS..G310 helixtrans-60.6-27.1-177.5-59.8-179.8000113.1L151 L159 R163 Q164 V221L151-L161 HydrophobicContact CB-CD1 4.26Å; L151-L161 HydrophobicContact CD1-CD1 3.39Å; L151-L161 HydrophobicContact CG-CD1 4.47Å; L159-L161 HydrophobicContact CB-CD1 4.28Å; L159-L161 HydrophobicContact CB-CD2 4.4Å; L159-L161 HydrophobicContact CB-CG 3.83Å; L159-L161 HydrophobicContact CD1-CD1 4.26Å; L159-L161 PolarHBondContact O-N 2.68Å; L161-R163 PolarHBondContact O-N 3.22Å; L161-Q164 WeakPolarHBondContact O-CG 3.32Å; L161-Q164 PolarHBondContact O-N 3.33Å; L161-Q164 PolarHBondContact O-NE2 3.36Å; L161-V221 HydrophobicContact CD1-CG2 4.33Å; L161-V221 HydrophobicContact CD2-CG2 4Å
162M93.1Very high92Very high20 Ų2061.2 Ų61.210%0.09934%0.336CS..G310 helixtrans-68.6-19.8175-74.1-62.5-73.600113.7H80 P81 G82 I85 F149 H152 N160H80-M162 PolarHBondContact CE1-O 3.19Å; H80-M162 PolarHBondContact ND1-O 2.98Å; P81-M162 HydrophobicContact CB-SD 3.83Å; G82-M162 WeakPolarHBondContact CA-O 3.27Å; G82-M162 PolarHBondContact N-O 2.96Å; I85-M162 HydrophobicContact CD1-CE 3.95Å; F149-M162 HydrophobicContact CB-SD 4.26Å; F149-M162 HydrophobicContact CD2-CE 4.27Å; H152-M162 HydrophobicContact CB-CG 3.75Å; N160-M162 PolarHBondContact O-N 3.19Å; N160-M162 VanDerWaalsContact O-N 3.12Å
163R91Very high92.1Very high188 Ų18858.7 Ų58.771%0.70933%0.325SS*.G310 helixtrans-105.90.5178.3-65-179179.9144.2-4.2113.2N160 L161N160-R163 WeakPolarHBondContact O-CA 3.43Å; N160-R163 PolarHBondContact O-N 3.4Å; N160-R163 PolarHBondContact OD1-NH1 2.91Å; L161-R163 PolarHBondContact O-N 3.22Å
164Q88.2Confident92.3Very high35 Ų3555.2 Ų55.216%0.16430%0.3CS..  trans-64.7156.2177.883.3-173.5-46.800111.3H80 P81 S148 N160 L161H80-Q164 WeakPolarHBondContact CA-O 3.18Å; P81-Q164 HydrophobicContact CG-CG 4.39Å; S148-Q164 PolarHBondContact OG-NE2 2.93Å; N160-Q164 PolarHBondContact O-N 3.49Å; L161-Q164 WeakPolarHBondContact O-CG 3.32Å; L161-Q164 PolarHBondContact O-N 3.33Å; L161-Q164 PolarHBondContact O-NE2 3.36Å
165C89.9Confident92.4Very high86 Ų8649.2 Ų49.258%0.58127%0.269SS*.  trans-135.296.8-178.3-178.90000107.4C78C78-C165 HydrophobicContact CB-CB 3.94Å; C78-C165 WeakPolarHBondContact CB-SG 3.08Å; C78-C165 WeakPolarHBondContact SG-CA 3.31Å; C78-C165 WeakPolarHBondContact SG-CB 3.34Å; C78-C165 CovalentContact SG-SG 2.02Å; C78-C165 PolarHBondContact SG-SG 2.93Å
166A90.4Very high92.6Very high15 Ų1546.7 Ų46.712%0.12424%0.244CC..BIsolated β-bridgetrans-104.9141-177.800000111.5C78 V79 M144C78-A166 CarbonylContact C-O 3.54Å; C78-A166 VanDerWaalsContact CA-O 3.31Å; C78-A166 WeakPolarHBondContact CA-O 3.37Å; C78-A166 VanDerWaalsContact CB-O 3.27Å; C78-A166 WeakPolarHBondContact CB-O 3.37Å; V79-A166 PolarHBondContact N-O 2.97Å; V79-A166 PolarHBondContact O-N 3.26Å; V79-A166 VanDerWaalsContact O-N 3.17Å; M144-A166 HydrophobicContact CE-CB 4.06Å; M144-A166 HydrophobicContact SD-CB 4.16Å
167V90.6Very high92.7Very high44 Ų4443.8 Ų43.827%0.26723%0.228SC..  trans-136155.4173.5-64.80000109.1H77 C78 A101H77-V167 WeakPolarHBondContact O-CG1 3.28Å; C78-V167 HydrophobicContact CB-CG1 3.67Å; A101-V167 HydrophobicContact CB-CG2 4.06Å
168G90.3Very high92.9Very high10 Ų1038.4 Ų38.410%0.10320%0.202CC..  trans120.9159.217000000114.3P96 T97 M99 S170P96-G168 PolarHBondContact O-N 3.31Å; T97-G168 WeakPolarHBondContact CA-O 3.25Å; T97-G168 CarbonylContact O-C 3.58Å; M99-G168 WeakPolarHBondContact O-CA 3.41Å; M99-G168 PolarHBondContact O-N 3.24Å; M99-G168 VanDerWaalsContact O-N 3.07Å; G168-S170 VanDerWaalsContact C-N 3.32Å
169F95.2Very high93Very high0 Ų031.2 Ų31.20%016%0.164CC..SBendtrans-86.8-5.9-177-164.9-113.6000113T97 Y98 M110 F113 I133 G171 V172 I173T97-F169 HydrophobicContact CG2-CD2 3.96Å; T97-F169 WeakPolarHBondContact O-CA 3.33Å; T97-F169 WeakPolarHBondContact O-CB 3.34Å; T97-F169 PolarHBondContact O-N 3Å; Y98-F169 HydrophobicContact CD1-CD2 4.02Å; Y98-F169 HydrophobicContact CD1-CE2 4.07Å; Y98-F169 HydrophobicContact CE1-CD2 4.05Å; Y98-F169 AromaticContact CE1-CE2 3.68Å; Y98-F169 HydrophobicContact CE1-CE2 3.68Å; M110-F169 HydrophobicContact CE-CB 4.32Å; M110-F169 HydrophobicContact CE-CD1 4.11Å; M110-F169 HydrophobicContact CE-CG 4.45Å; F113-F169 HydrophobicContact CB-CD1 4.46Å; F113-F169 HydrophobicContact CB-CE1 4.2Å; F113-F169 HydrophobicContact CD1-CE1 4.26Å; F113-F169 AromaticContact CD2-CE1 3.53Å; F113-F169 HydrophobicContact CD2-CE1 3.53Å; F113-F169 HydrophobicContact CD2-CZ 4.24Å; F113-F169 AromaticContact CE2-CE1 3.88Å; F113-F169 HydrophobicContact CE2-CE1 3.88Å; F113-F169 HydrophobicContact CE2-CZ 4.13Å; F113-F169 HydrophobicContact CG-CD1 4.4Å; F113-F169 AromaticContact CG-CE1 3.72Å; F113-F169 HydrophobicContact CG-CE1 3.72Å; F113-F169 HydrophobicContact CZ-CE1 4.4Å; F113-F169 HydrophobicContact CZ-CZ 4.49Å; I133-F169 HydrophobicContact CD1-CZ 4.31Å; I133-F169 HydrophobicContact CG2-CE2 3.72Å; I133-F169 HydrophobicContact CG2-CZ 3.66Å; F169-G171 VanDerWaalsContact C-N 3.32Å; F169-G171 PolarHBondContact O-N 3.33Å; F169-V172 HydrophobicContact CD2-CB 4.1Å; F169-V172 HydrophobicContact CD2-CG2 4.12Å; F169-V172 HydrophobicContact CE1-CB 4.22Å; F169-V172 HydrophobicContact CE1-CG1 4.11Å; F169-V172 HydrophobicContact CE2-CB 3.78Å; F169-V172 HydrophobicContact CE2-CG1 3.82Å; F169-V172 HydrophobicContact CE2-CG2 3.88Å; F169-V172 HydrophobicContact CG-CB 4.44Å; F169-V172 HydrophobicContact CZ-CB 3.85Å; F169-V172 HydrophobicContact CZ-CG1 3.53Å; F169-V172 HydrophobicContact CZ-CG2 4.43Å; F169-V172 WeakPolarHBondContact O-CB 3.48Å; F169-V172 PolarHBondContact O-N 3.48Å; F169-I173 HydrophobicContact CD1-CD1 3.93Å; F169-I173 HydrophobicContact CD1-CG1 3.68Å; F169-I173 HydrophobicContact CE1-CG1 4.08Å; F169-I173 PolarHBondContact O-N 2.88Å; F169-I173 VanDerWaalsContact O-N 3.12Å
170S95.6Very high93Very high15 Ų1527.1 Ų27.111%0.10514%0.144CC..Hα-helixtrans-56.8-37.7-173.158.40000114G168 V172 I173 F174 H223G168-S170 VanDerWaalsContact C-N 3.32Å; S170-V172 VanDerWaalsContact C-N 3.29Å; S170-V172 PolarHBondContact O-N 3.04Å; S170-I173 WeakPolarHBondContact O-CB 3.37Å; S170-I173 PolarHBondContact O-N 3.37Å; S170-I173 VanDerWaalsContact O-N 3.13Å; S170-F174 VanDerWaalsContact O-CD2 3.29Å; S170-F174 WeakPolarHBondContact O-CD2 3.16Å; S170-F174 PolarHBondContact O-N 3.47Å; S170-H223 VanDerWaalsContact CB-NE2 3.27Å; S170-H223 WeakPolarHBondContact CB-NE2 3.41Å; S170-H223 PolarHBondContact OG-CD2 3.12Å; S170-H223 PolarHBondContact OG-NE2 3.48Å
171G96.6Very high92.8Very high6 Ų623.8 Ų23.86%0.06213%0.125CC..Hα-helixtrans-57-43.4174.100000112.2I140 F169 F174 A175 G226I140-G171 VanDerWaalsContact CD1-C 3.4Å; I140-G171 WeakPolarHBondContact CD1-O 3.21Å; F169-G171 VanDerWaalsContact C-N 3.32Å; F169-G171 PolarHBondContact O-N 3.33Å; G171-F174 PolarHBondContact O-N 2.84Å; G171-A175 PolarHBondContact O-N 2.96Å; G171-G226 WeakPolarHBondContact O-CA 3.42Å
172V98Very high92.4Very high1 Ų125.3 Ų25.31%0.00613%0.131CC..Hα-helixtrans-65.6-42.1176.5-179.40000110.1T97 I133 F136 I140 F169 S170 F174 A175 L176T97-V172 HydrophobicContact CG2-CG2 3.71Å; I133-V172 HydrophobicContact CD1-CG1 3.82Å; I133-V172 HydrophobicContact CG2-CG1 4.42Å; F136-V172 HydrophobicContact CB-CG1 4.41Å; I140-V172 HydrophobicContact CD1-CG2 4.13Å; F169-V172 HydrophobicContact CD2-CB 4.1Å; F169-V172 HydrophobicContact CD2-CG2 4.12Å; F169-V172 HydrophobicContact CE1-CB 4.22Å; F169-V172 HydrophobicContact CE1-CG1 4.11Å; F169-V172 HydrophobicContact CE2-CB 3.78Å; F169-V172 HydrophobicContact CE2-CG1 3.82Å; F169-V172 HydrophobicContact CE2-CG2 3.88Å; F169-V172 HydrophobicContact CG-CB 4.44Å; F169-V172 HydrophobicContact CZ-CB 3.85Å; F169-V172 HydrophobicContact CZ-CG1 3.53Å; F169-V172 HydrophobicContact CZ-CG2 4.43Å; F169-V172 WeakPolarHBondContact O-CB 3.48Å; F169-V172 PolarHBondContact O-N 3.48Å; S170-V172 VanDerWaalsContact C-N 3.29Å; S170-V172 PolarHBondContact O-N 3.04Å; V172-F174 VanDerWaalsContact C-N 3.3Å; V172-F174 PolarHBondContact O-N 3.24Å; V172-A175 WeakPolarHBondContact O-CB 3.38Å; V172-A175 PolarHBondContact O-N 3.41Å; V172-A175 VanDerWaalsContact O-N 3.11Å; V172-L176 HydrophobicContact CG1-CD1 4.36Å; V172-L176 HydrophobicContact CG1-CG 4.34Å; V172-L176 WeakPolarHBondContact O-CG 3.12Å; V172-L176 PolarHBondContact O-N 2.74Å
173I97.1Very high91.9Very high4 Ų426.4 Ų26.42%0.02114%0.135CC..Hα-helixtrans-58.4-41.4175.7-65.9171.2000111.5N109 S112 F113 K116 F169 S170 L176 K177N109-I173 VanDerWaalsContact CA-CD1 3.49Å; N109-I173 HydrophobicContact CB-CD1 3.68Å; N109-I173 WeakPolarHBondContact O-CD1 3.38Å; S112-I173 WeakPolarHBondContact OG-CG2 3.36Å; F113-I173 HydrophobicContact CB-CD1 4.31Å; F113-I173 HydrophobicContact CB-CG1 4.24Å; K116-I173 HydrophobicContact CD-CG2 3.92Å; K116-I173 WeakPolarHBondContact CD-O 3.33Å; F169-I173 HydrophobicContact CD1-CD1 3.93Å; F169-I173 HydrophobicContact CD1-CG1 3.68Å; F169-I173 HydrophobicContact CE1-CG1 4.08Å; F169-I173 PolarHBondContact O-N 2.88Å; F169-I173 VanDerWaalsContact O-N 3.12Å; S170-I173 WeakPolarHBondContact O-CB 3.37Å; S170-I173 PolarHBondContact O-N 3.37Å; S170-I173 VanDerWaalsContact O-N 3.13Å; I173-L176 PolarHBondContact O-N 2.94Å; I173-K177 WeakPolarHBondContact O-CB 3.46Å; I173-K177 PolarHBondContact O-N 2.84Å
174F96.1Very high91.2Very high2 Ų219.6 Ų19.61%0.00911%0.112CC..Hα-helixtrans-63.8-42.6174.4-89.1-75.8000112S170 G171 V172 K177 V178 E207 L208 I211 H223 I227S170-F174 VanDerWaalsContact O-CD2 3.29Å; S170-F174 WeakPolarHBondContact O-CD2 3.16Å; S170-F174 PolarHBondContact O-N 3.47Å; G171-F174 PolarHBondContact O-N 2.84Å; V172-F174 VanDerWaalsContact C-N 3.3Å; V172-F174 PolarHBondContact O-N 3.24Å; F174-K177 WeakPolarHBondContact O-CB 3.36Å; F174-K177 PolarHBondContact O-N 3.12Å; F174-V178 PolarHBondContact O-N 2.88Å; F174-E207 HydrophobicContact CE1-CB 4.27Å; F174-E207 HydrophobicContact CE1-CG 4.22Å; F174-E207 HydrophobicContact CZ-CB 4.5Å; F174-E207 HydrophobicContact CZ-CG 4.07Å; F174-L208 HydrophobicContact CE1-CB 4.08Å; F174-L208 HydrophobicContact CZ-CB 4.25Å; F174-L208 HydrophobicContact CZ-CD1 4.39Å; F174-I211 HydrophobicContact CE2-CD1 3.9Å; F174-I211 HydrophobicContact CZ-CD1 3.82Å; F174-H223 HydrophobicContact CD2-CB 3.61Å; F174-H223 AromaticContact CD2-CD2 3.73Å; F174-H223 AromaticContact CD2-CG 3.67Å; F174-H223 HydrophobicContact CE2-CB 3.56Å; F174-H223 AromaticContact CE2-CD2 3.67Å; F174-H223 AromaticContact CE2-CG 3.36Å; F174-H223 AromaticContact CE2-ND1 3.7Å; F174-H223 HydrophobicContact CG-CB 4.29Å; F174-H223 HydrophobicContact CZ-CB 4.19Å; F174-I227 HydrophobicContact CB-CG1 4.11Å; F174-I227 HydrophobicContact CD1-CD1 3.95Å; F174-I227 HydrophobicContact CD1-CG1 3.75Å; F174-I227 HydrophobicContact CE1-CD1 4.32Å; F174-I227 HydrophobicContact CG-CG1 4.24Å
175A96.1Very high90.2Very high0 Ų021.1 Ų21.10%013%0.126CC..Hα-helixtrans-59.9-47.2173.600000111.2F136 I140 G171 V172 K177 V178 L179 G226F136-A175 HydrophobicContact CD2-CB 3.69Å; F136-A175 HydrophobicContact CE2-CB 4.04Å; F136-A175 HydrophobicContact CG-CB 4.38Å; I140-A175 HydrophobicContact CD1-CB 4.24Å; G171-A175 PolarHBondContact O-N 2.96Å; V172-A175 WeakPolarHBondContact O-CB 3.38Å; V172-A175 PolarHBondContact O-N 3.41Å; V172-A175 VanDerWaalsContact O-N 3.11Å; A175-K177 VanDerWaalsContact C-N 3.27Å; A175-K177 PolarHBondContact O-N 3.29Å; A175-V178 WeakPolarHBondContact O-CB 3.27Å; A175-V178 PolarHBondContact O-N 3.4Å; A175-V178 VanDerWaalsContact O-N 3.16Å; A175-L179 VanDerWaalsContact O-CD1 3.24Å; A175-L179 WeakPolarHBondContact O-CD1 3.41Å; A175-L179 PolarHBondContact O-N 3.06Å; A175-G226 VanDerWaalsContact CA-O 3.28Å; A175-G226 WeakPolarHBondContact CA-O 3.45Å; A175-G226 VanDerWaalsContact CB-O 3.3Å; A175-G226 WeakPolarHBondContact CB-O 3.39Å
176L95.7Very high88.9Confident0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-62-34.4176-64.8179.3000112.3F113 K116 L120 F129 I133 F136 V172 I173 V178 L179 C180F113-L176 HydrophobicContact CD2-CD1 3.64Å; F113-L176 HydrophobicContact CE2-CD1 3.68Å; K116-L176 HydrophobicContact CB-CB 4.14Å; K116-L176 HydrophobicContact CB-CD1 4.47Å; K116-L176 HydrophobicContact CD-CB 4Å; L120-L176 HydrophobicContact CD1-CB 3.97Å; L120-L176 HydrophobicContact CD1-CD2 3.77Å; L120-L176 HydrophobicContact CD1-CG 4.4Å; F129-L176 HydrophobicContact CE2-CD2 4.13Å; F129-L176 HydrophobicContact CZ-CD1 4.48Å; I133-L176 HydrophobicContact CD1-CD1 3.72Å; I133-L176 HydrophobicContact CD1-CD2 3.92Å; I133-L176 HydrophobicContact CD1-CG 4.21Å; F136-L176 HydrophobicContact CE2-CD2 4.45Å; V172-L176 HydrophobicContact CG1-CD1 4.36Å; V172-L176 HydrophobicContact CG1-CG 4.34Å; V172-L176 WeakPolarHBondContact O-CG 3.12Å; V172-L176 PolarHBondContact O-N 2.74Å; I173-L176 PolarHBondContact O-N 2.94Å; L176-V178 VanDerWaalsContact C-N 3.31Å; L176-V178 PolarHBondContact O-N 2.74Å; L176-L179 CarbonylContact O-C 3.58Å; L176-L179 WeakPolarHBondContact O-CB 3.3Å; L176-L179 PolarHBondContact O-N 2.89Å; L176-L179 VanDerWaalsContact O-N 3.13Å; L176-C180 PolarHBondContact O-N 2.83Å; L176-C180 PolarHBondContact O-SG 3.36Å; L176-C180 VanDerWaalsContact O-SG 3.37Å
177K93.7Very high87.2Confident20 Ų2023 Ų239%0.08713%0.126CC..Hα-helixtrans-59.9-43.7175.3-166.9174.9173.91660111.5K116 I173 F174 A175 L179 C180 Q181 S203 C204 E207K116-K177 HydrophobicContact CD-CB 4.3Å; K116-K177 VanDerWaalsContact CE-CB 3.46Å; I173-K177 WeakPolarHBondContact O-CB 3.46Å; I173-K177 PolarHBondContact O-N 2.84Å; F174-K177 WeakPolarHBondContact O-CB 3.36Å; F174-K177 PolarHBondContact O-N 3.12Å; A175-K177 VanDerWaalsContact C-N 3.27Å; A175-K177 PolarHBondContact O-N 3.29Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.12Å; K177-C180 PolarHBondContact O-N 3.33Å; K177-Q181 WeakPolarHBondContact O-CG 3.35Å; K177-Q181 PolarHBondContact O-N 3.27Å; K177-Q181 VanDerWaalsContact O-N 3.08Å; K177-S203 WeakPolarHBondContact CE-OG 3.18Å; K177-S203 PolarHBondContact NZ-O 3.15Å; K177-S203 PolarHBondContact NZ-OG 2.84Å; K177-C204 HydrophobicContact CD-CB 4.48Å; K177-C204 VanDerWaalsContact CD-SG 3.57Å; K177-C204 VanDerWaalsContact CG-SG 3.52Å; K177-E207 VanDerWaalsContact CD-OE2 3.27Å; K177-E207 WeakPolarHBondContact CD-OE2 3.38Å; K177-E207 WeakPolarHBondContact CE-OE2 3.39Å; K177-E207 IonicContact NZ-OE2 3.76Å; K177-E207 PolarHBondContact NZ-OE2 3.34Å
178V92.4Very high85.5Confident0 Ų027.9 Ų27.90%014%0.14CC..Hα-helixtrans-59.6-42.7174.9177.90000110.5F174 A175 L176 Q181 E182 I227 L231 T234F174-V178 PolarHBondContact O-N 2.88Å; A175-V178 WeakPolarHBondContact O-CB 3.27Å; A175-V178 PolarHBondContact O-N 3.4Å; A175-V178 VanDerWaalsContact O-N 3.16Å; L176-V178 VanDerWaalsContact C-N 3.31Å; L176-V178 PolarHBondContact O-N 2.74Å; V178-Q181 PolarHBondContact O-N 3.09Å; V178-E182 PolarHBondContact O-N 3Å; V178-E182 VanDerWaalsContact O-N 3.1Å; V178-I227 HydrophobicContact CG2-CB 4.48Å; V178-I227 HydrophobicContact CG2-CG2 4.1Å; V178-L231 HydrophobicContact CG1-CD2 3.7Å; V178-L231 HydrophobicContact CG1-CG 4.05Å; V178-T234 HydrophobicContact CG1-CG2 4.25Å
179L91.2Very high83.8Confident0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-64.3-46.8175.9-85.864.1000111.6L120 F124 F136 A175 L176 K177 Q181 E182 Y183 Y233 T234L120-L179 HydrophobicContact CD1-CB 3.76Å; L120-L179 HydrophobicContact CD1-CD2 4.41Å; L120-L179 HydrophobicContact CD2-CB 4.07Å; F124-L179 HydrophobicContact CE2-CD2 4.01Å; F124-L179 HydrophobicContact CZ-CD2 4.08Å; F136-L179 HydrophobicContact CE2-CD1 4.07Å; F136-L179 HydrophobicContact CE2-CD2 3.95Å; F136-L179 HydrophobicContact CZ-CD1 4.18Å; F136-L179 HydrophobicContact CZ-CD2 4.16Å; A175-L179 VanDerWaalsContact O-CD1 3.24Å; A175-L179 WeakPolarHBondContact O-CD1 3.41Å; A175-L179 PolarHBondContact O-N 3.06Å; L176-L179 CarbonylContact O-C 3.58Å; L176-L179 WeakPolarHBondContact O-CB 3.3Å; L176-L179 PolarHBondContact O-N 2.89Å; L176-L179 VanDerWaalsContact O-N 3.13Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.12Å; L179-Q181 PolarHBondContact O-N 3.41Å; L179-E182 PolarHBondContact O-N 3.19Å; L179-Y183 HydrophobicContact CB-CD2 4.16Å; L179-Y183 HydrophobicContact CB-CE2 4.33Å; L179-Y183 HydrophobicContact CG-CD2 4.46Å; L179-Y183 HydrophobicContact CG-CE2 4.12Å; L179-Y183 WeakPolarHBondContact O-CD2 3.34Å; L179-Y183 PolarHBondContact O-N 2.94Å; L179-Y233 HydrophobicContact CD1-CD1 3.77Å; L179-Y233 HydrophobicContact CD1-CE1 4.49Å; L179-Y233 HydrophobicContact CD1-CG 4.48Å; L179-Y233 HydrophobicContact CD2-CD1 3.86Å; L179-Y233 HydrophobicContact CD2-CE1 3.76Å; L179-Y233 HydrophobicContact CG-CD1 3.9Å; L179-Y233 HydrophobicContact CG-CE1 4.15Å; L179-T234 HydrophobicContact CD1-CG2 4.23Å
180C89.3Confident81.8Confident13 Ų1342.3 Ų42.39%0.08820%0.2CC..Hα-helixtrans-54.6-38.7176.4-72.60000112Q119 L176 K177 D184Q119-C180 PolarHBondContact OE1-SG 3.09Å; L176-C180 PolarHBondContact O-N 2.83Å; L176-C180 PolarHBondContact O-SG 3.36Å; L176-C180 VanDerWaalsContact O-SG 3.37Å; K177-C180 PolarHBondContact O-N 3.33Å; C180-D184 WeakPolarHBondContact O-CB 3.2Å; C180-D184 PolarHBondContact O-N 3.06Å
181Q85.6Confident80Confident13 Ų1344.3 Ų44.36%0.06122%0.223CC..Hα-helixtrans-69.8-36.3176-68.5174-22.300113K177 V178 L179 R197 N201 C204K177-Q181 WeakPolarHBondContact O-CG 3.35Å; K177-Q181 PolarHBondContact O-N 3.27Å; K177-Q181 VanDerWaalsContact O-N 3.08Å; V178-Q181 PolarHBondContact O-N 3.09Å; L179-Q181 PolarHBondContact O-N 3.41Å; Q181-R197 WeakPolarHBondContact O-CD 3.33Å; Q181-R197 PolarHBondContact O-NH1 3.06Å; Q181-N201 PolarHBondContact NE2-ND2 3.19Å; Q181-N201 PolarHBondContact NE2-OD1 3.45Å; Q181-C204 PolarHBondContact NE2-SG 2.77Å; Q181-C204 PolarHBondContact OE1-SG 2.79Å
182E83.3Confident78.2Confident59 Ų5952 Ų5228%0.27626%0.255SS..Hα-helixtrans-72-41.7178.8-169.866.5-164.300111.8V178 L179 T234V178-E182 PolarHBondContact O-N 3Å; V178-E182 VanDerWaalsContact O-N 3.1Å; L179-E182 PolarHBondContact O-N 3.19Å; E182-T234 HydrophobicContact CB-CG2 3.76Å; E182-T234 HydrophobicContact CG-CG2 3.77Å
183Y83Confident76.3Confident43 Ų4358 Ų5817%0.16928%0.281CS..Hα-helixtrans-933.1-176.4-65.7-76.8000114.2L120 L123 F124 L179 P185 W253L120-Y183 HydrophobicContact CD2-CD2 4.23Å; L123-Y183 HydrophobicContact CD1-CG 4.48Å; F124-Y183 HydrophobicContact CE1-CE2 4.43Å; F124-Y183 HydrophobicContact CE2-CE2 4.31Å; F124-Y183 HydrophobicContact CZ-CD2 4.13Å; F124-Y183 HydrophobicContact CZ-CE1 4.46Å; F124-Y183 AromaticContact CZ-CE2 3.54Å; F124-Y183 HydrophobicContact CZ-CE2 3.54Å; F124-Y183 AromaticContact CZ-CZ 3.72Å; L179-Y183 HydrophobicContact CB-CD2 4.16Å; L179-Y183 HydrophobicContact CB-CE2 4.33Å; L179-Y183 HydrophobicContact CG-CD2 4.46Å; L179-Y183 HydrophobicContact CG-CE2 4.12Å; L179-Y183 WeakPolarHBondContact O-CD2 3.34Å; L179-Y183 PolarHBondContact O-N 2.94Å; Y183-P185 WeakPolarHBondContact O-CD 3.34Å; Y183-W253 AromaticContact CD1-CZ2 3.74Å; Y183-W253 HydrophobicContact CD1-CZ2 3.74Å; Y183-W253 AromaticContact CE1-CE2 3.8Å; Y183-W253 AromaticContact CE1-CZ2 3.44Å; Y183-W253 HydrophobicContact CE1-CZ2 3.44Å; Y183-W253 VanDerWaalsContact CE1-CZ2 3.44Å; Y183-W253 AromaticContact CE1-NE1 3.66Å
184D77.3Confident74.8Confident45 Ų4566 Ų6624%0.24131%0.311CS..  trans-70117.1177.616434.1000111.6C180 M186 G187 R197C180-D184 WeakPolarHBondContact O-CB 3.2Å; C180-D184 PolarHBondContact O-N 3.06Å; D184-M186 PolarHBondContact O-N 2.78Å; D184-M186 PolarHBondContact OD1-N 2.95Å; D184-G187 PolarHBondContact O-N 3.27Å; D184-R197 PolarHBondContact O-NH1 2.86Å; D184-R197 IonicContact OD2-CZ 2.65Å; D184-R197 IonicContact OD2-NH1 2.58Å; D184-R197 PolarHBondContact OD2-NH1 2.58Å; D184-R197 IonicContact OD2-NH2 3.9Å; D184-R197 PolarHBondContact OD2-NH2 3.44Å
185P66.5Low73.1Confident68 Ų6873.9 Ų73.944%0.44234%0.341SS..G310 helixtrans-66.9-19.7-175.228.3-36.4000114Y183 G187 R188Y183-P185 WeakPolarHBondContact O-CD 3.34Å; P185-G187 PolarHBondContact O-N 3.17Å; P185-R188 WeakPolarHBondContact O-CG 3.32Å; P185-R188 PolarHBondContact O-N 2.96Å; P185-R188 PolarHBondContact O-NE 3.09Å; P185-R188 VanDerWaalsContact O-NE 3.11Å
186M63.1Low71.7Confident133 Ų13379 Ų7966%0.65536%0.361SS*.G310 helixtrans-73.8-13.8174.6-64.6-63.1106.600112.4D184 R188D184-M186 PolarHBondContact O-N 2.78Å; D184-M186 PolarHBondContact OD1-N 2.95Å; M186-R188 PolarHBondContact O-N 2.98Å
187G55.5Low70.4Confident6 Ų680.9 Ų80.96%0.06237%0.368CS..G310 helixtrans-70.2-4.9172.900000115.7D184 P185 Q189 Y190D184-G187 PolarHBondContact O-N 3.27Å; P185-G187 PolarHBondContact O-N 3.17Å; G187-Q189 PolarHBondContact O-N 2.73Å; G187-Y190 PolarHBondContact O-N 3.43Å
188R53Low69Low147 Ų14780 Ų8056%0.55536%0.364SS*.G310 helixtrans-58-18.5-177.5-82.2-173-78.2173.80.2113.6P185 M186 Y190 D260P185-R188 WeakPolarHBondContact O-CG 3.32Å; P185-R188 PolarHBondContact O-N 2.96Å; P185-R188 PolarHBondContact O-NE 3.09Å; P185-R188 VanDerWaalsContact O-NE 3.11Å; M186-R188 PolarHBondContact O-N 2.98Å; R188-Y190 PolarHBondContact O-N 3.33Å; R188-D260 IonicContact NH1-OD1 3.42Å; R188-D260 IonicContact NH1-OD2 2.7Å; R188-D260 PolarHBondContact NH1-OD2 3.02Å
189Q55.2Low67.8Low175 Ų17583.2 Ų83.282%0.81838%0.381SS*.G310 helixtrans-77.9-5.3-177.6-66-174.2-27.300115.9G187G187-Q189 PolarHBondContact O-N 2.73Å
190Y53.5Low66.7Low139 Ų13988.1 Ų88.155%0.54541%0.406SS..G310 helixtrans-100.510.9-168.5-69-80.5000117.2G187 R188 F192 F193G187-Y190 PolarHBondContact O-N 3.43Å; R188-Y190 PolarHBondContact O-N 3.33Å; Y190-F192 PolarHBondContact O-N 3.01Å; Y190-F193 PolarHBondContact O-N 3.42Å; Y190-F193 VanDerWaalsContact O-N 3.12Å
191G58.3Low65.8Low57 Ų5789.8 Ų89.859%0.58841%0.414SS*.G310 helixtrans48-133.4169.700000115F193 R194G191-F193 PolarHBondContact O-N 3.06Å; G191-F193 VanDerWaalsContact O-N 3.09Å; G191-R194 WeakPolarHBondContact O-CB 3.47Å; G191-R194 PolarHBondContact O-N 2.86Å
192F58Low65.6Low168 Ų16895.2 Ų95.274%0.73744%0.443SS*.G310 helixtrans-51.6-31.8-179.9180-99.5000114Y190 R194Y190-F192 PolarHBondContact O-N 3.01Å; F192-R194 PolarHBondContact O-N 3.37Å
193F59.4Low65.5Low125 Ų12594.7 Ų94.755%0.54845%0.446SS..G310 helixtrans-75.5-5.4179.9-66.6-76.6000113.7Y190 G191 R195 Y196 R197 L200Y190-F193 PolarHBondContact O-N 3.42Å; Y190-F193 VanDerWaalsContact O-N 3.12Å; G191-F193 PolarHBondContact O-N 3.06Å; G191-F193 VanDerWaalsContact O-N 3.09Å; F193-R195 PolarHBondContact O-N 3.21Å; F193-Y196 CarbonylContact O-C 3.54Å; F193-Y196 PolarHBondContact O-N 3.08Å; F193-R197 PolarHBondContact O-N 2.7Å; F193-L200 HydrophobicContact CD1-CD1 4.26Å
194R64.3Low65.5Low174 Ų17492.7 Ų92.766%0.65744%0.438SS*.G310 helixtrans-49.5-45174.2-171.8178.882.1-170.94.1111.3G191 F192 Y196 R197G191-R194 WeakPolarHBondContact O-CB 3.47Å; G191-R194 PolarHBondContact O-N 2.86Å; F192-R194 PolarHBondContact O-N 3.37Å; R194-Y196 PolarHBondContact O-N 3.2Å; R194-Y196 VanDerWaalsContact O-N 3.16Å; R194-R197 WeakPolarHBondContact O-CB 3.47Å; R194-R197 PolarHBondContact O-N 2.99Å
195R60.9Low65.9Low166 Ų16694.7 Ų94.763%0.62644%0.442SS*.G310 helixtrans-62.3-25-179.9-175.6167.5-175.6130.90.2112.7F193 R235F193-R195 PolarHBondContact O-N 3.21Å; R195-R235 PolarHBondContact O-NH1 3.34Å; R195-R235 PolarHBondContact O-NH2 3.26Å
196Y66.1Low66.9Low108 Ų10894 Ų9442%0.42444%0.439SS..G310 helixtrans-105.8-0.6-178.6-59.5-80.4000113.1F193 R194 S198 I199 L200F193-Y196 CarbonylContact O-C 3.54Å; F193-Y196 PolarHBondContact O-N 3.08Å; R194-Y196 PolarHBondContact O-N 3.2Å; R194-Y196 VanDerWaalsContact O-N 3.16Å; Y196-S198 PolarHBondContact O-N 3.33Å; Y196-I199 PolarHBondContact O-N 3.3Å; Y196-L200 WeakPolarHBondContact O-CB 3.42Å; Y196-L200 WeakPolarHBondContact O-CG 3.31Å; Y196-L200 PolarHBondContact O-N 3.01Å
197R69.1Low68.1Low40 Ų4089.8 Ų89.815%0.15142%0.418CS..Hα-helixtrans-52.2-49.7-174.4-174.5-177-172.3-1616.9112.7Q181 D184 F193 R194 I199 L200 N201Q181-R197 WeakPolarHBondContact O-CD 3.33Å; Q181-R197 PolarHBondContact O-NH1 3.06Å; D184-R197 PolarHBondContact O-NH1 2.86Å; D184-R197 IonicContact OD2-CZ 2.65Å; D184-R197 IonicContact OD2-NH1 2.58Å; D184-R197 PolarHBondContact OD2-NH1 2.58Å; D184-R197 IonicContact OD2-NH2 3.9Å; D184-R197 PolarHBondContact OD2-NH2 3.44Å; F193-R197 PolarHBondContact O-N 2.7Å; R194-R197 WeakPolarHBondContact O-CB 3.47Å; R194-R197 PolarHBondContact O-N 2.99Å; R197-I199 PolarHBondContact O-N 3.29Å; R197-L200 PolarHBondContact O-N 2.91Å; R197-N201 WeakPolarHBondContact O-CB 3.42Å; R197-N201 PolarHBondContact O-N 2.84Å
198S63.7Low69.7Low1 Ų189.7 Ų89.71%0.00742%0.416CS..Hα-helixtrans-63.8-24.5-176.9730000113.7Y196 L231Y196-S198 PolarHBondContact O-N 3.33Å; S198-L231 WeakPolarHBondContact OG-CD2 3.43Å
199I67.5Low71.4Confident67 Ų6788 Ų8834%0.34442%0.417SS..Hα-helixtrans-86.5-45176-61-179.5000110.3Y196 R197 N201 W205 L231Y196-I199 PolarHBondContact O-N 3.3Å; R197-I199 PolarHBondContact O-N 3.29Å; I199-N201 VanDerWaalsContact C-N 3.35Å; I199-W205 PolarHBondContact O-NE1 3.49Å; I199-L231 HydrophobicContact CG1-CD1 4.09Å; I199-L231 HydrophobicContact CG1-CD2 3.63Å
200L67.6Low73.1Confident104 Ų10484.9 Ų84.955%0.54541%0.406SS..Hα-helixtrans-77.7-20.9-174.9-63.4176.2000112.9F193 Y196 R197 L202F193-L200 HydrophobicContact CD1-CD1 4.26Å; Y196-L200 WeakPolarHBondContact O-CB 3.42Å; Y196-L200 WeakPolarHBondContact O-CG 3.31Å; Y196-L200 PolarHBondContact O-N 3.01Å; R197-L200 PolarHBondContact O-N 2.91Å; L200-L202 PolarHBondContact O-N 3.37Å
201N71.6Confident74.7Confident48 Ų4880.3 Ų80.326%0.25739%0.39SS..  trans-70.7100.8178.1-170.2-26.9000109.6Q181 R197 I199 S203 C204Q181-N201 PolarHBondContact NE2-ND2 3.19Å; Q181-N201 PolarHBondContact NE2-OD1 3.45Å; R197-N201 WeakPolarHBondContact O-CB 3.42Å; R197-N201 PolarHBondContact O-N 2.84Å; I199-N201 VanDerWaalsContact C-N 3.35Å; N201-S203 PolarHBondContact O-N 3.43Å; N201-S203 WeakPolarHBondContact OD1-CB 3.24Å; N201-S203 PolarHBondContact OD1-N 3.44Å; N201-C204 PolarHBondContact O-N 3.49Å
202L79.9Confident76.1Confident127 Ų12780.2 Ų80.267%0.66538%0.375SS*.Hα-helixtrans-58.3-13.1-179.8-64.8178.5000113.5L200 C204 W205 S206L200-L202 PolarHBondContact O-N 3.37Å; L202-C204 VanDerWaalsContact C-N 3.32Å; L202-C204 PolarHBondContact O-N 2.86Å; L202-W205 PolarHBondContact O-N 3.44Å; L202-W205 VanDerWaalsContact O-N 3.17Å; L202-S206 WeakPolarHBondContact O-CB 3.39Å; L202-S206 PolarHBondContact O-N 3.26Å; L202-S206 PolarHBondContact O-OG 2.96Å; L202-S206 VanDerWaalsContact O-OG 3.09Å
203S82.3Confident77.5Confident48 Ų4878.8 Ų78.834%0.33637%0.374SS..Hα-helixtrans-58.1-41.1179.2-174.80000112.6K177 N201 S206 E207K177-S203 WeakPolarHBondContact CE-OG 3.18Å; K177-S203 PolarHBondContact NZ-O 3.15Å; K177-S203 PolarHBondContact NZ-OG 2.84Å; N201-S203 PolarHBondContact O-N 3.43Å; N201-S203 WeakPolarHBondContact OD1-CB 3.24Å; N201-S203 PolarHBondContact OD1-N 3.44Å; S203-S206 WeakPolarHBondContact CA-OG 3.36Å; S203-S206 PolarHBondContact O-OG 3.29Å; S203-E207 WeakPolarHBondContact O-CB 3.36Å; S203-E207 PolarHBondContact O-N 2.78Å
204C83.8Confident78.8Confident0 Ų076.8 Ų76.80%038%0.38CS..Hα-helixtrans-65.7-42.4177.3-76.20000111.4K177 Q181 N201 L202 L208 I227K177-C204 HydrophobicContact CD-CB 4.48Å; K177-C204 VanDerWaalsContact CD-SG 3.57Å; K177-C204 VanDerWaalsContact CG-SG 3.52Å; Q181-C204 PolarHBondContact NE2-SG 2.77Å; Q181-C204 PolarHBondContact OE1-SG 2.79Å; N201-C204 PolarHBondContact O-N 3.49Å; L202-C204 VanDerWaalsContact C-N 3.32Å; L202-C204 PolarHBondContact O-N 2.86Å; C204-L208 WeakPolarHBondContact O-CB 3.37Å; C204-L208 PolarHBondContact O-N 3.45Å; C204-I227 HydrophobicContact CB-CD1 4.43Å
205W85.7Confident79.7Confident88 Ų8871.8 Ų71.833%0.33337%0.369SS..Hα-helixtrans-73.1-38.1-178.2-58.5107.2000112.5I199 L202 L208 L209 L224 I227I199-W205 PolarHBondContact O-NE1 3.49Å; L202-W205 PolarHBondContact O-N 3.44Å; L202-W205 VanDerWaalsContact O-N 3.17Å; W205-L208 HydrophobicContact CE3-CD2 4.11Å; W205-L208 HydrophobicContact CZ3-CD2 4.29Å; W205-L208 WeakPolarHBondContact O-CB 3.2Å; W205-L208 PolarHBondContact O-N 3.31Å; W205-L209 WeakPolarHBondContact O-CG 3.37Å; W205-L209 PolarHBondContact O-N 3.05Å; W205-L224 HydrophobicContact CH2-CD1 4.33Å; W205-L224 HydrophobicContact CZ3-CD1 4.08Å; W205-I227 HydrophobicContact CE3-CD1 4.4Å; W205-I227 HydrophobicContact CH2-CG2 4.32Å; W205-I227 HydrophobicContact CZ2-CG2 4.27Å; W205-I227 HydrophobicContact CZ3-CD1 4.39Å
206S86.7Confident80.6Confident53 Ų5368 Ų6837%0.37137%0.366SS..Hα-helixtrans-67.6-41.4175.366.30000111L202 S203 L208 L209 L210L202-S206 WeakPolarHBondContact O-CB 3.39Å; L202-S206 PolarHBondContact O-N 3.26Å; L202-S206 PolarHBondContact O-OG 2.96Å; L202-S206 VanDerWaalsContact O-OG 3.09Å; S203-S206 WeakPolarHBondContact CA-OG 3.36Å; S203-S206 PolarHBondContact O-OG 3.29Å; S206-L208 VanDerWaalsContact C-N 3.34Å; S206-L208 PolarHBondContact O-N 3.29Å; S206-L209 PolarHBondContact O-N 3.32Å; S206-L210 WeakPolarHBondContact O-CB 3.46Å; S206-L210 WeakPolarHBondContact O-CG 3.17Å; S206-L210 PolarHBondContact O-N 2.85Å
207E88.2Confident81.3Confident45 Ų4570.9 Ų70.921%0.2139%0.389CS..Hα-helixtrans-63.6-40.2173.5-174.3171.6161.800111.5F174 K177 S203 L209 L210 I211F174-E207 HydrophobicContact CE1-CB 4.27Å; F174-E207 HydrophobicContact CE1-CG 4.22Å; F174-E207 HydrophobicContact CZ-CB 4.5Å; F174-E207 HydrophobicContact CZ-CG 4.07Å; K177-E207 VanDerWaalsContact CD-OE2 3.27Å; K177-E207 WeakPolarHBondContact CD-OE2 3.38Å; K177-E207 WeakPolarHBondContact CE-OE2 3.39Å; K177-E207 IonicContact NZ-OE2 3.76Å; K177-E207 PolarHBondContact NZ-OE2 3.34Å; S203-E207 WeakPolarHBondContact O-CB 3.36Å; S203-E207 PolarHBondContact O-N 2.78Å; E207-L209 VanDerWaalsContact C-N 3.34Å; E207-L209 PolarHBondContact O-N 3.28Å; E207-L210 PolarHBondContact O-N 2.93Å; E207-I211 HydrophobicContact CG-CD1 3.8Å; E207-I211 HydrophobicContact CG-CG1 4.26Å; E207-I211 WeakPolarHBondContact O-CB 3.22Å; E207-I211 VanDerWaalsContact O-CG1 3.3Å; E207-I211 WeakPolarHBondContact O-CG1 3.24Å; E207-I211 PolarHBondContact O-N 2.91Å
208L88.9Confident81.9Confident4 Ų470.3 Ų70.32%0.02139%0.393CS..Hα-helixtrans-57.4-46.8174178.164.4000111.8F174 C204 W205 S206 Q212 F220 H223 I227F174-L208 HydrophobicContact CE1-CB 4.08Å; F174-L208 HydrophobicContact CZ-CB 4.25Å; F174-L208 HydrophobicContact CZ-CD1 4.39Å; C204-L208 WeakPolarHBondContact O-CB 3.37Å; C204-L208 PolarHBondContact O-N 3.45Å; W205-L208 HydrophobicContact CE3-CD2 4.11Å; W205-L208 HydrophobicContact CZ3-CD2 4.29Å; W205-L208 WeakPolarHBondContact O-CB 3.2Å; W205-L208 PolarHBondContact O-N 3.31Å; S206-L208 VanDerWaalsContact C-N 3.34Å; S206-L208 PolarHBondContact O-N 3.29Å; L208-Q212 WeakPolarHBondContact O-CB 3.31Å; L208-Q212 PolarHBondContact O-N 2.73Å; L208-Q212 VanDerWaalsContact O-N 3.15Å; L208-F220 HydrophobicContact CD1-CD2 3.99Å; L208-F220 HydrophobicContact CD1-CE2 4.06Å; L208-F220 HydrophobicContact CD2-CD2 4.45Å; L208-F220 HydrophobicContact CD2-CE2 3.69Å; L208-F220 HydrophobicContact CD2-CZ 4.1Å; L208-F220 HydrophobicContact CG-CD2 4.23Å; L208-F220 HydrophobicContact CG-CE2 3.83Å; L208-H223 HydrophobicContact CD1-CB 3.4Å; L208-H223 VanDerWaalsContact CD1-CB 3.4Å; L208-I227 HydrophobicContact CB-CD1 4.42Å; L208-I227 HydrophobicContact CD2-CD1 4.05Å
209L89.2Confident83Confident110 Ų11071.4 Ų71.458%0.57640%0.4SS*.Hα-helixtrans-67.2-45.3178.1-68.9173.9000111.9W205 S206 E207 I211 Q212 L213W205-L209 WeakPolarHBondContact O-CG 3.37Å; W205-L209 PolarHBondContact O-N 3.05Å; S206-L209 PolarHBondContact O-N 3.32Å; E207-L209 VanDerWaalsContact C-N 3.34Å; E207-L209 PolarHBondContact O-N 3.28Å; L209-I211 PolarHBondContact O-N 3.44Å; L209-Q212 PolarHBondContact O-N 3.04Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.43Å
210L89.9Confident84.1Confident111 Ų11172.6 Ų72.658%0.58140%0.403SS*.Hα-helixtrans-61.7-42.8179.9-73.2171.7000111.9S206 E207 Q212 L213 A214S206-L210 WeakPolarHBondContact O-CB 3.46Å; S206-L210 WeakPolarHBondContact O-CG 3.17Å; S206-L210 PolarHBondContact O-N 2.85Å; E207-L210 PolarHBondContact O-N 2.93Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 2.69Å; L210-L213 PolarHBondContact O-N 3.38Å; L210-A214 WeakPolarHBondContact O-CB 3.49Å; L210-A214 PolarHBondContact O-N 3.4Å
211I87.2Confident85.3Confident43 Ų4368.3 Ų68.322%0.22138%0.381CS..Hα-helixtrans-65.7-38.5176.6-69.3177.8000110.8F174 E207 L209 L213 A214 T215 A218F174-I211 HydrophobicContact CE2-CD1 3.9Å; F174-I211 HydrophobicContact CZ-CD1 3.82Å; E207-I211 HydrophobicContact CG-CD1 3.8Å; E207-I211 HydrophobicContact CG-CG1 4.26Å; E207-I211 WeakPolarHBondContact O-CB 3.22Å; E207-I211 VanDerWaalsContact O-CG1 3.3Å; E207-I211 WeakPolarHBondContact O-CG1 3.24Å; E207-I211 PolarHBondContact O-N 2.91Å; L209-I211 PolarHBondContact O-N 3.44Å; I211-L213 VanDerWaalsContact C-N 3.29Å; I211-L213 PolarHBondContact O-N 2.79Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-T215 WeakPolarHBondContact CG2-OG1 3.49Å; I211-T215 CarbonylContact O-C 3.58Å; I211-T215 WeakPolarHBondContact O-CA 3.23Å; I211-T215 PolarHBondContact O-N 3.43Å; I211-T215 PolarHBondContact O-OG1 2.94Å; I211-A218 HydrophobicContact CG2-CB 4.23Å
212Q88.2Confident86.4Confident55 Ų5566.5 Ų66.526%0.25737%0.374SS..Hα-helixtrans-66.5-32.2176.6-168.858.252.800112.5L208 L209 L210 P216L208-Q212 WeakPolarHBondContact O-CB 3.31Å; L208-Q212 PolarHBondContact O-N 2.73Å; L208-Q212 VanDerWaalsContact O-N 3.15Å; L209-Q212 PolarHBondContact O-N 3.04Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 2.69Å; Q212-P216 PolarHBondContact NE2-O 3.31Å; Q212-P216 WeakPolarHBondContact O-CA 3.3Å
213L87.7Confident87.1Confident138 Ų13860.8 Ų60.872%0.72334%0.344SS*.Hα-helixtrans-74.7-44.1174.4-68.4173000112.1L209 L210 I211L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.43Å; L210-L213 PolarHBondContact O-N 3.38Å; I211-L213 VanDerWaalsContact C-N 3.29Å; I211-L213 PolarHBondContact O-N 2.79Å
214A85.7Confident87.6Confident83 Ų8360.1 Ų60.169%0.68634%0.336SS*.Hα-helixtrans-73.6-35.6-178.300000112.6L210 I211L210-A214 WeakPolarHBondContact O-CB 3.49Å; L210-A214 PolarHBondContact O-N 3.4Å; I211-A214 PolarHBondContact O-N 2.85Å
215T83.3Confident88.2Confident69 Ų6960.1 Ų60.142%0.42334%0.336SS..  trans-132.877.4-17855.10000110.3I211 N217 A218I211-T215 WeakPolarHBondContact CG2-OG1 3.49Å; I211-T215 CarbonylContact O-C 3.58Å; I211-T215 WeakPolarHBondContact O-CA 3.23Å; I211-T215 PolarHBondContact O-N 3.43Å; I211-T215 PolarHBondContact O-OG1 2.94Å; T215-N217 PolarHBondContact O-N 3.18Å; T215-A218 VanDerWaalsContact O-CB 3.25Å; T215-A218 WeakPolarHBondContact O-CB 3.39Å; T215-A218 PolarHBondContact O-N 2.88Å; T215-A218 WeakPolarHBondContact OG1-CB 3.34Å
216P80.7Confident88.7Confident86 Ų8656 Ų5656%0.55832%0.32SS*.THydrogen-bonded Turntrans-57.1-23.5-176-2735.2000114.7Q212 A218Q212-P216 PolarHBondContact NE2-O 3.31Å; Q212-P216 WeakPolarHBondContact O-CA 3.3Å; P216-A218 VanDerWaalsContact C-N 3.33Å
217N80.2Confident89.1Confident169 Ų16953.5 Ų53.590%0.90430%0.303SS*.THydrogen-bonded Turntrans-82.8-5.6178.1-62.1-41.9000113.8T215T215-N217 PolarHBondContact O-N 3.18Å
218A81.2Confident89.4Confident28 Ų2854 Ų5423%0.23131%0.306CS..SBendtrans-68.4149175.400000110.9I211 T215 P216 F220I211-A218 HydrophobicContact CG2-CB 4.23Å; T215-A218 VanDerWaalsContact O-CB 3.25Å; T215-A218 WeakPolarHBondContact O-CB 3.39Å; T215-A218 PolarHBondContact O-N 2.88Å; T215-A218 WeakPolarHBondContact OG1-CB 3.34Å; P216-A218 VanDerWaalsContact C-N 3.33Å; A218-F220 PolarHBondContact O-N 3.36Å
219S87.7Confident89.7Confident24 Ų2454 Ų5417%0.16831%0.307CS..  trans-77.295.4-178-175.20000110.8V221 G222 H223S219-V221 PolarHBondContact O-N 3.47Å; S219-G222 PolarHBondContact O-N 2.95Å; S219-G222 VanDerWaalsContact O-N 3.08Å; S219-G222 PolarHBondContact OG-N 2.88Å; S219-G222 VanDerWaalsContact OG-N 3.14Å; S219-H223 PolarHBondContact O-N 3.22Å; S219-H223 VanDerWaalsContact O-N 3.09Å
220F90.5Very high89.9Confident91 Ų9148.7 Ų48.740%0.39928%0.279SS..Hα-helixtrans-47.9-46.8170.3-179.4-98.4000111.7L208 A218 G222 H223 L224L208-F220 HydrophobicContact CD1-CD2 3.99Å; L208-F220 HydrophobicContact CD1-CE2 4.06Å; L208-F220 HydrophobicContact CD2-CD2 4.45Å; L208-F220 HydrophobicContact CD2-CE2 3.69Å; L208-F220 HydrophobicContact CD2-CZ 4.1Å; L208-F220 HydrophobicContact CG-CD2 4.23Å; L208-F220 HydrophobicContact CG-CE2 3.83Å; A218-F220 PolarHBondContact O-N 3.36Å; F220-G222 PolarHBondContact O-N 3.3Å; F220-H223 PolarHBondContact O-N 3.22Å; F220-L224 HydrophobicContact CE1-CD2 4.05Å; F220-L224 WeakPolarHBondContact O-CB 3.5Å; F220-L224 PolarHBondContact O-N 2.8Å
221V92.4Very high90Very high15 Ų1544.6 Ų44.69%0.09126%0.258CS..Hα-helixtrans-62.3-42.2-179.1-174.80000111.1M144 M147 L161 S219 L224 C225M144-V221 HydrophobicContact CG-CB 4.45Å; M144-V221 HydrophobicContact CG-CG1 3.85Å; M147-V221 HydrophobicContact CG-CG1 4.4Å; M147-V221 HydrophobicContact SD-CG1 3.72Å; L161-V221 HydrophobicContact CD1-CG2 4.33Å; L161-V221 HydrophobicContact CD2-CG2 4Å; S219-V221 PolarHBondContact O-N 3.47Å; V221-L224 PolarHBondContact O-N 3.27Å; V221-C225 WeakPolarHBondContact O-CB 3.43Å; V221-C225 PolarHBondContact O-N 2.93Å; V221-C225 PolarHBondContact O-SG 3.2Å
222G94.1Very high90.2Very high9 Ų946.1 Ų46.19%0.09327%0.266CS..Hα-helixtrans-62.4-45.2177.200000112.8S219 F220 C225 G226S219-G222 PolarHBondContact O-N 2.95Å; S219-G222 VanDerWaalsContact O-N 3.08Å; S219-G222 PolarHBondContact OG-N 2.88Å; S219-G222 VanDerWaalsContact OG-N 3.14Å; F220-G222 PolarHBondContact O-N 3.3Å; G222-C225 PolarHBondContact O-N 3Å; G222-G226 PolarHBondContact O-N 3.19Å
223H94.8Very high90.3Very high7 Ų743.5 Ų43.53%0.03225%0.254CS..Hα-helixtrans-64.8-44.4176.5-60.9161000112.1S170 F174 L208 S219 F220 C225 G226 I227S170-H223 VanDerWaalsContact CB-NE2 3.27Å; S170-H223 WeakPolarHBondContact CB-NE2 3.41Å; S170-H223 PolarHBondContact OG-CD2 3.12Å; S170-H223 PolarHBondContact OG-NE2 3.48Å; F174-H223 HydrophobicContact CD2-CB 3.61Å; F174-H223 AromaticContact CD2-CD2 3.73Å; F174-H223 AromaticContact CD2-CG 3.67Å; F174-H223 HydrophobicContact CE2-CB 3.56Å; F174-H223 AromaticContact CE2-CD2 3.67Å; F174-H223 AromaticContact CE2-CG 3.36Å; F174-H223 AromaticContact CE2-ND1 3.7Å; F174-H223 HydrophobicContact CG-CB 4.29Å; F174-H223 HydrophobicContact CZ-CB 4.19Å; L208-H223 HydrophobicContact CD1-CB 3.4Å; L208-H223 VanDerWaalsContact CD1-CB 3.4Å; S219-H223 PolarHBondContact O-N 3.22Å; S219-H223 VanDerWaalsContact O-N 3.09Å; F220-H223 PolarHBondContact O-N 3.22Å; H223-C225 VanDerWaalsContact C-N 3.33Å; H223-C225 PolarHBondContact O-N 3.14Å; H223-G226 WeakPolarHBondContact O-CA 3.35Å; H223-G226 PolarHBondContact O-N 3.41Å; H223-I227 PolarHBondContact O-N 2.99Å
224L94.2Very high90.2Very high35 Ų3538.1 Ų38.118%0.18323%0.227CC..Hα-helixtrans-58.7-44.5175.4177.862.3000111.4M147 W205 F220 V221 G226 I227 I228M147-L224 HydrophobicContact CE-CD2 4.38Å; M147-L224 HydrophobicContact SD-CD2 4.29Å; W205-L224 HydrophobicContact CH2-CD1 4.33Å; W205-L224 HydrophobicContact CZ3-CD1 4.08Å; F220-L224 HydrophobicContact CE1-CD2 4.05Å; F220-L224 WeakPolarHBondContact O-CB 3.5Å; F220-L224 PolarHBondContact O-N 2.8Å; V221-L224 PolarHBondContact O-N 3.27Å; L224-G226 VanDerWaalsContact C-N 3.28Å; L224-G226 PolarHBondContact O-N 2.94Å; L224-I227 PolarHBondContact O-N 3.28Å; L224-I228 HydrophobicContact CD1-CD1 4.31Å; L224-I228 HydrophobicContact CG-CD1 4.05Å; L224-I228 WeakPolarHBondContact O-CG1 3.1Å; L224-I228 PolarHBondContact O-N 3.38Å
225C96.1Very high89.9Confident0 Ų037.5 Ų37.50%021%0.206CC..Hα-helixtrans-61.3-37.3174.6-690000111.7I140 M143 V221 G222 H223 I228 V229I140-C225 HydrophobicContact CG2-CB 4.02Å; M143-C225 HydrophobicContact CB-CB 4.17Å; M143-C225 HydrophobicContact CG-CB 4.04Å; V221-C225 WeakPolarHBondContact O-CB 3.43Å; V221-C225 PolarHBondContact O-N 2.93Å; V221-C225 PolarHBondContact O-SG 3.2Å; G222-C225 PolarHBondContact O-N 3Å; H223-C225 VanDerWaalsContact C-N 3.33Å; H223-C225 PolarHBondContact O-N 3.14Å; C225-I228 PolarHBondContact O-N 3.34Å; C225-V229 WeakPolarHBondContact O-CB 3.16Å; C225-V229 WeakPolarHBondContact O-CG2 3.45Å; C225-V229 PolarHBondContact O-N 3.02Å
226G96.4Very high89.3Confident0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-55.8-50.6171.100000113G171 A175 G222 H223 L224 I228 V229 G230G171-G226 WeakPolarHBondContact O-CA 3.42Å; A175-G226 VanDerWaalsContact CA-O 3.28Å; A175-G226 WeakPolarHBondContact CA-O 3.45Å; A175-G226 VanDerWaalsContact CB-O 3.3Å; A175-G226 WeakPolarHBondContact CB-O 3.39Å; G222-G226 PolarHBondContact O-N 3.19Å; H223-G226 WeakPolarHBondContact O-CA 3.35Å; H223-G226 PolarHBondContact O-N 3.41Å; L224-G226 VanDerWaalsContact C-N 3.28Å; L224-G226 PolarHBondContact O-N 2.94Å; G226-I228 PolarHBondContact O-N 2.77Å; G226-V229 PolarHBondContact O-N 3.17Å; G226-G230 PolarHBondContact O-N 2.72Å
227I94.3Very high89.2Confident2 Ų241.1 Ų41.11%0.0122%0.216CC..Hα-helixtrans-59.4-48.1176.3-62.2171.9000110.4F174 V178 C204 W205 L208 H223 L224 V229 G230 L231F174-I227 HydrophobicContact CB-CG1 4.11Å; F174-I227 HydrophobicContact CD1-CD1 3.95Å; F174-I227 HydrophobicContact CD1-CG1 3.75Å; F174-I227 HydrophobicContact CE1-CD1 4.32Å; F174-I227 HydrophobicContact CG-CG1 4.24Å; V178-I227 HydrophobicContact CG2-CB 4.48Å; V178-I227 HydrophobicContact CG2-CG2 4.1Å; C204-I227 HydrophobicContact CB-CD1 4.43Å; W205-I227 HydrophobicContact CE3-CD1 4.4Å; W205-I227 HydrophobicContact CH2-CG2 4.32Å; W205-I227 HydrophobicContact CZ2-CG2 4.27Å; W205-I227 HydrophobicContact CZ3-CD1 4.39Å; L208-I227 HydrophobicContact CB-CD1 4.42Å; L208-I227 HydrophobicContact CD2-CD1 4.05Å; H223-I227 PolarHBondContact O-N 2.99Å; L224-I227 PolarHBondContact O-N 3.28Å; I227-V229 PolarHBondContact O-N 3.27Å; I227-G230 PolarHBondContact O-N 3.41Å; I227-L231 HydrophobicContact CG2-CD1 3.97Å; I227-L231 HydrophobicContact CG2-CG 4.35Å; I227-L231 VanDerWaalsContact O-CG 3.3Å; I227-L231 WeakPolarHBondContact O-CG 3.15Å; I227-L231 PolarHBondContact O-N 3.21Å
228I94.2Very high89.2Confident54 Ų5434.3 Ų34.328%0.27718%0.179SC..Hα-helixtrans-60.6-46.6-179.7-67.7168000111.2M143 M147 L224 C225 G226 G230 L231 L232M143-I228 HydrophobicContact CE-CG2 4.29Å; M147-I228 HydrophobicContact CE-CD1 3.87Å; L224-I228 HydrophobicContact CD1-CD1 4.31Å; L224-I228 HydrophobicContact CG-CD1 4.05Å; L224-I228 WeakPolarHBondContact O-CG1 3.1Å; L224-I228 PolarHBondContact O-N 3.38Å; C225-I228 PolarHBondContact O-N 3.34Å; G226-I228 PolarHBondContact O-N 2.77Å; I228-G230 VanDerWaalsContact C-N 3.35Å; I228-G230 PolarHBondContact O-N 3.11Å; I228-L231 PolarHBondContact O-N 3.47Å; I228-L232 HydrophobicContact CG2-CD1 3.96Å; I228-L232 HydrophobicContact CG2-CG 4.29Å; I228-L232 WeakPolarHBondContact O-CG 3.42Å; I228-L232 PolarHBondContact O-N 3.42Å
229V95.4Very high89.1Confident4 Ų435.6 Ų35.62%0.02418%0.179CC..Hα-helixtrans-62.9-42.5178.4168.90000111F136 L139 I140 C225 G226 I227 L231 L232 Y233 L238F136-V229 HydrophobicContact CD1-CG1 3.86Å; F136-V229 HydrophobicContact CE1-CG1 4.27Å; F136-V229 HydrophobicContact CG-CG1 4.25Å; L139-V229 HydrophobicContact CB-CG1 4.2Å; L139-V229 HydrophobicContact CB-CG2 4.24Å; L139-V229 HydrophobicContact CD1-CG1 4.48Å; I140-V229 HydrophobicContact CG1-CB 3.88Å; I140-V229 HydrophobicContact CG1-CG1 4.15Å; I140-V229 HydrophobicContact CG1-CG2 3.79Å; C225-V229 WeakPolarHBondContact O-CB 3.16Å; C225-V229 WeakPolarHBondContact O-CG2 3.45Å; C225-V229 PolarHBondContact O-N 3.02Å; G226-V229 PolarHBondContact O-N 3.17Å; I227-V229 PolarHBondContact O-N 3.27Å; V229-L231 VanDerWaalsContact C-N 3.34Å; V229-L231 PolarHBondContact O-N 3.42Å; V229-L232 PolarHBondContact O-N 2.81Å; V229-Y233 PolarHBondContact O-N 3.17Å; V229-L238 HydrophobicContact CG1-CD2 4.39Å
230G93.8Very high88.7Confident0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-58.4-44.3173.100000112.3G226 I227 I228 Y233 T234G226-G230 PolarHBondContact O-N 2.72Å; I227-G230 PolarHBondContact O-N 3.41Å; I228-G230 VanDerWaalsContact C-N 3.35Å; I228-G230 PolarHBondContact O-N 3.11Å; G230-Y233 WeakPolarHBondContact O-CB 3.06Å; G230-Y233 PolarHBondContact O-N 3.31Å; G230-T234 WeakPolarHBondContact O-CG2 3.45Å; G230-T234 PolarHBondContact O-N 3.15Å
231L91.7Very high88.4Confident25 Ų2536.8 Ų36.813%0.13119%0.194CC..Hα-helixtrans-65-44176.4-69.9173.4000111.7V178 S198 I199 I227 I228 V229 Y233 T234 R235V178-L231 HydrophobicContact CG1-CD2 3.7Å; V178-L231 HydrophobicContact CG1-CG 4.05Å; S198-L231 WeakPolarHBondContact OG-CD2 3.43Å; I199-L231 HydrophobicContact CG1-CD1 4.09Å; I199-L231 HydrophobicContact CG1-CD2 3.63Å; I227-L231 HydrophobicContact CG2-CD1 3.97Å; I227-L231 HydrophobicContact CG2-CG 4.35Å; I227-L231 VanDerWaalsContact O-CG 3.3Å; I227-L231 WeakPolarHBondContact O-CG 3.15Å; I227-L231 PolarHBondContact O-N 3.21Å; I228-L231 PolarHBondContact O-N 3.47Å; V229-L231 VanDerWaalsContact C-N 3.34Å; V229-L231 PolarHBondContact O-N 3.42Å; L231-Y233 PolarHBondContact O-N 3.03Å; L231-T234 PolarHBondContact O-N 2.7Å; L231-T234 PolarHBondContact O-OG1 3.23Å; L231-T234 VanDerWaalsContact O-OG1 3.07Å; L231-R235 WeakPolarHBondContact O-CB 3.42Å; L231-R235 WeakPolarHBondContact O-CG 3.35Å; L231-R235 PolarHBondContact O-N 3.07Å
232L91.9Very high88.1Confident75 Ų7536.4 Ų36.439%0.39319%0.192SC..Hα-helixtrans-60.3-35.9177-72.1173.1000111.8M143 I228 V229 L238M143-L232 HydrophobicContact CE-CD1 4.07Å; I228-L232 HydrophobicContact CG2-CD1 3.96Å; I228-L232 HydrophobicContact CG2-CG 4.29Å; I228-L232 WeakPolarHBondContact O-CG 3.42Å; I228-L232 PolarHBondContact O-N 3.42Å; V229-L232 PolarHBondContact O-N 2.81Å; L232-L238 HydrophobicContact CB-CB 4.48Å; L232-L238 HydrophobicContact CB-CD2 4.38Å
233Y90.8Very high87.4Confident0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-64.2-49.1173.1-175.6-98.3000112.2F124 Y128 L132 F136 L179 V229 G230 L231 R235 S236 L238 K239 L242F124-Y233 HydrophobicContact CE1-CE1 4.39Å; F124-Y233 WeakPolarHBondContact CE1-OH 3.15Å; F124-Y233 HydrophobicContact CZ-CE1 4.17Å; Y128-Y233 WeakPolarHBondContact CE1-OH 3.4Å; Y128-Y233 PolarHBondContact OH-OH 3.33Å; L132-Y233 HydrophobicContact CD2-CD2 4.24Å; L132-Y233 HydrophobicContact CD2-CE2 3.47Å; L132-Y233 VanDerWaalsContact CD2-CE2 3.47Å; F136-Y233 AromaticContact CE1-CD2 3.83Å; F136-Y233 HydrophobicContact CE1-CD2 3.83Å; F136-Y233 AromaticContact CE1-CG 4Å; F136-Y233 HydrophobicContact CE1-CG 4Å; F136-Y233 HydrophobicContact CZ-CD1 4.06Å; F136-Y233 AromaticContact CZ-CD2 3.83Å; F136-Y233 HydrophobicContact CZ-CD2 3.83Å; F136-Y233 HydrophobicContact CZ-CE2 4.42Å; F136-Y233 AromaticContact CZ-CG 3.63Å; F136-Y233 HydrophobicContact CZ-CG 3.63Å; L179-Y233 HydrophobicContact CD1-CD1 3.77Å; L179-Y233 HydrophobicContact CD1-CE1 4.49Å; L179-Y233 HydrophobicContact CD1-CG 4.48Å; L179-Y233 HydrophobicContact CD2-CD1 3.86Å; L179-Y233 HydrophobicContact CD2-CE1 3.76Å; L179-Y233 HydrophobicContact CG-CD1 3.9Å; L179-Y233 HydrophobicContact CG-CE1 4.15Å; V229-Y233 PolarHBondContact O-N 3.17Å; G230-Y233 WeakPolarHBondContact O-CB 3.06Å; G230-Y233 PolarHBondContact O-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.03Å; Y233-R235 PolarHBondContact O-N 3.17Å; Y233-S236 PolarHBondContact O-N 3.14Å; Y233-L238 HydrophobicContact CD2-CD2 4.48Å; Y233-L238 HydrophobicContact CD2-CG 4.32Å; Y233-K239 HydrophobicContact CD2-CB 4.21Å; Y233-K239 HydrophobicContact CE2-CB 4.01Å; Y233-K239 HydrophobicContact CE2-CG 4.12Å; Y233-K239 WeakPolarHBondContact O-CB 3.47Å; Y233-L242 HydrophobicContact CD2-CD1 3.95Å; Y233-L242 HydrophobicContact CE2-CD1 3.95Å
234T84.9Confident86.9Confident25 Ų2543.1 Ų43.115%0.15323%0.225CC..Hα-helixtrans-68-22.6-179.663.70000113.2V178 L179 E182 G230 L231 S236V178-T234 HydrophobicContact CG1-CG2 4.25Å; L179-T234 HydrophobicContact CD1-CG2 4.23Å; E182-T234 HydrophobicContact CB-CG2 3.76Å; E182-T234 HydrophobicContact CG-CG2 3.77Å; G230-T234 WeakPolarHBondContact O-CG2 3.45Å; G230-T234 PolarHBondContact O-N 3.15Å; L231-T234 PolarHBondContact O-N 2.7Å; L231-T234 PolarHBondContact O-OG1 3.23Å; L231-T234 VanDerWaalsContact O-OG1 3.07Å; T234-S236 PolarHBondContact O-N 3.21Å
235R79.7Confident86.4Confident69 Ų6947.5 Ų47.526%0.2625%0.248SC..THydrogen-bonded Turntrans-80.318.1177.2-63.3-66.7179.5-164.9-4.4115R195 L231 Y233 F237R195-R235 PolarHBondContact O-NH1 3.34Å; R195-R235 PolarHBondContact O-NH2 3.26Å; L231-R235 WeakPolarHBondContact O-CB 3.42Å; L231-R235 WeakPolarHBondContact O-CG 3.35Å; L231-R235 PolarHBondContact O-N 3.07Å; Y233-R235 PolarHBondContact O-N 3.17Å; R235-F237 PolarHBondContact O-N 3.5Å
236S71.3Confident85.7Confident62 Ų6252 Ų5243%0.43427%0.265SS..SBendtrans66.5-26.8175.471.60000117.7Y233 T234 L238 K239 N240Y233-S236 PolarHBondContact O-N 3.14Å; T234-S236 PolarHBondContact O-N 3.21Å; S236-L238 PolarHBondContact O-N 3.3Å; S236-K239 PolarHBondContact O-N 3.01Å; S236-N240 VanDerWaalsContact O-CB 3.28Å; S236-N240 WeakPolarHBondContact O-CB 3.5Å; S236-N240 PolarHBondContact O-N 3.34Å; S236-N240 PolarHBondContact O-ND2 3.49Å; S236-N240 PolarHBondContact O-OD1 3.28Å
237F77.3Confident84.3Confident170 Ų17057 Ų5775%0.74630%0.298SS*.Hα-helixtrans-60.3-52.1-179.9-179.6-100.1000111.9R235 A241R235-F237 PolarHBondContact O-N 3.5Å; F237-A241 PolarHBondContact O-N 2.87Å
238L79.7Confident82.6Confident26 Ų2659.3 Ų59.314%0.13632%0.322CS..Hα-helixtrans-72.4-39.2178.9177.262.7000111.2F136 L139 V229 L232 Y233 S236 N240 A241 L242F136-L238 HydrophobicContact CE1-CD2 4.5Å; L139-L238 HydrophobicContact CD1-CD1 3.77Å; L139-L238 HydrophobicContact CD1-CD2 3.77Å; L139-L238 HydrophobicContact CD1-CG 4.39Å; V229-L238 HydrophobicContact CG1-CD2 4.39Å; L232-L238 HydrophobicContact CB-CB 4.48Å; L232-L238 HydrophobicContact CB-CD2 4.38Å; Y233-L238 HydrophobicContact CD2-CD2 4.48Å; Y233-L238 HydrophobicContact CD2-CG 4.32Å; S236-L238 PolarHBondContact O-N 3.3Å; L238-N240 PolarHBondContact O-N 2.96Å; L238-A241 PolarHBondContact O-N 3Å; L238-L242 HydrophobicContact CD1-CD1 4.1Å; L238-L242 HydrophobicContact CD1-CD2 4.23Å; L238-L242 HydrophobicContact CD1-CG 3.93Å; L238-L242 HydrophobicContact CG-CD1 4.01Å; L238-L242 HydrophobicContact CG-CG 4.21Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 3.16Å
239K79.6Confident80.8Confident54 Ų5457.6 Ų57.624%0.23532%0.315CS..Hα-helixtrans-56.7-48.7176.3-176-176.3-178.8-59.70112Y233 S236 A241 L242 D243Y233-K239 HydrophobicContact CD2-CB 4.21Å; Y233-K239 HydrophobicContact CE2-CB 4.01Å; Y233-K239 HydrophobicContact CE2-CG 4.12Å; Y233-K239 WeakPolarHBondContact O-CB 3.47Å; S236-K239 PolarHBondContact O-N 3.01Å; K239-A241 VanDerWaalsContact C-N 3.31Å; K239-A241 PolarHBondContact O-N 3.33Å; K239-L242 PolarHBondContact O-N 3.14Å; K239-D243 IonicContact NZ-OD2 3.77Å; K239-D243 PolarHBondContact NZ-OD2 2.94Å; K239-D243 WeakPolarHBondContact O-CB 3.4Å; K239-D243 VanDerWaalsContact O-CG 3.23Å; K239-D243 PolarHBondContact O-N 2.84Å
240N80.2Confident78.7Confident97 Ų9763.8 Ų63.852%0.51934%0.343SS..Hα-helixtrans-61.9-39.6179.7-66.5-11.7000111.9S236 L238 L244S236-N240 VanDerWaalsContact O-CB 3.28Å; S236-N240 WeakPolarHBondContact O-CB 3.5Å; S236-N240 PolarHBondContact O-N 3.34Å; S236-N240 PolarHBondContact O-ND2 3.49Å; S236-N240 PolarHBondContact O-OD1 3.28Å; L238-N240 PolarHBondContact O-N 2.96Å; N240-L244 PolarHBondContact O-N 3.02Å; N240-L244 VanDerWaalsContact O-N 3.14Å
241A84.2Confident76.4Confident43 Ų4372 Ų7236%0.35538%0.379SS..Hα-helixtrans-65.8-40175.900000112.2F237 L238 K239 L244 L245F237-A241 PolarHBondContact O-N 2.87Å; L238-A241 PolarHBondContact O-N 3Å; K239-A241 VanDerWaalsContact C-N 3.31Å; K239-A241 PolarHBondContact O-N 3.33Å; A241-L244 PolarHBondContact O-N 3.4Å; A241-L245 WeakPolarHBondContact O-CG 3.46Å; A241-L245 PolarHBondContact O-N 3.23Å
242L84.8Confident74.3Confident8 Ų872.7 Ų72.74%0.04239%0.389CS..Hα-helixtrans-72.4-36.6178.5-67-172.6000112.7F131 L132 T135 F136 Y233 L238 K239 L244 L245 Y246F131-L242 HydrophobicContact CE1-CB 4.09Å; F131-L242 HydrophobicContact CE1-CD2 4.2Å; F131-L242 HydrophobicContact CZ-CD2 4.11Å; L132-L242 HydrophobicContact CD2-CD1 3.84Å; T135-L242 HydrophobicContact CG2-CD1 3.91Å; T135-L242 HydrophobicContact CG2-CD2 3.61Å; T135-L242 HydrophobicContact CG2-CG 4.43Å; F136-L242 HydrophobicContact CE1-CD1 4.44Å; Y233-L242 HydrophobicContact CD2-CD1 3.95Å; Y233-L242 HydrophobicContact CE2-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CD1 4.1Å; L238-L242 HydrophobicContact CD1-CD2 4.23Å; L238-L242 HydrophobicContact CD1-CG 3.93Å; L238-L242 HydrophobicContact CG-CD1 4.01Å; L238-L242 HydrophobicContact CG-CG 4.21Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 3.16Å; K239-L242 PolarHBondContact O-N 3.14Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 3.03Å; L242-L245 HydrophobicContact CD2-CD1 4.3Å; L242-L245 PolarHBondContact O-N 2.83Å; L242-L245 VanDerWaalsContact O-N 3.16Å; L242-Y246 PolarHBondContact O-N 3.05Å
243D80.8Confident72.2Confident14 Ų1474.2 Ų74.28%0.07539%0.389CS..Hα-helixtrans-65.1-32.4174.2-69.3-16.9000111.7Y128 K239 Y246 P247Y128-D243 VanDerWaalsContact CZ-OD1 3.26Å; Y128-D243 PolarHBondContact OH-OD1 2.94Å; K239-D243 IonicContact NZ-OD2 3.77Å; K239-D243 PolarHBondContact NZ-OD2 2.94Å; K239-D243 WeakPolarHBondContact O-CB 3.4Å; K239-D243 VanDerWaalsContact O-CG 3.23Å; K239-D243 PolarHBondContact O-N 2.84Å; D243-Y246 CarbonylContact O-C 3.29Å; D243-Y246 VanDerWaalsContact O-C 3.29Å; D243-P247 WeakPolarHBondContact O-CA 3.38Å
244L83.4Confident70Confident142 Ų14284.1 Ų84.174%0.74343%0.427SS*.Hα-helixtrans-67.9-35.7172.5-176.964.6000112.5N240 A241 L242N240-L244 PolarHBondContact O-N 3.02Å; N240-L244 VanDerWaalsContact O-N 3.14Å; A241-L244 PolarHBondContact O-N 3.4Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 3.03Å
245L83.6Confident68Low127 Ų12791.3 Ų91.367%0.66546%0.458SS*.Hα-helixtrans-78.9-29.5179.7-70173.6000113F131 A241 L242 P247F131-L245 HydrophobicContact CZ-CB 4.19Å; A241-L245 WeakPolarHBondContact O-CG 3.46Å; A241-L245 PolarHBondContact O-N 3.23Å; L242-L245 HydrophobicContact CD2-CD1 4.3Å; L242-L245 PolarHBondContact O-N 2.83Å; L242-L245 VanDerWaalsContact O-N 3.16Å; L245-P247 VanDerWaalsContact C-CD 3.44Å; L245-P247 WeakPolarHBondContact O-CD 3.25Å
246Y82.4Confident66.1Low94 Ų9490.2 Ų90.237%0.36947%0.468SS..SBendtrans-124.973.3175.2-160.1-83.7000110.5Y128 F131 L242 D243 G248Y128-Y246 AromaticContact CD2-CD1 3.73Å; Y128-Y246 HydrophobicContact CD2-CD1 3.73Å; Y128-Y246 HydrophobicContact CD2-CG 4.16Å; F131-Y246 HydrophobicContact CB-CD2 4.33Å; F131-Y246 HydrophobicContact CD1-CG 4.31Å; F131-Y246 HydrophobicContact CD2-CD2 4.31Å; F131-Y246 HydrophobicContact CG-CD2 4.13Å; F131-Y246 HydrophobicContact CG-CG 4.38Å; L242-Y246 PolarHBondContact O-N 3.05Å; D243-Y246 CarbonylContact O-C 3.29Å; D243-Y246 VanDerWaalsContact O-C 3.29Å; Y246-G248 VanDerWaalsContact C-N 3.27Å; Y246-G248 PolarHBondContact O-N 3.23Å
247P66.6Low64.5Low107 Ų10792.5 Ų92.570%0.69547%0.472SS*.THydrogen-bonded Turntrans-73.283178.630-33.4000109.5D243 L245D243-P247 WeakPolarHBondContact O-CA 3.38Å; L245-P247 VanDerWaalsContact C-CD 3.44Å; L245-P247 WeakPolarHBondContact O-CD 3.25Å
248G59.2Low62.7Low50 Ų5087.8 Ų87.852%0.51546%0.459SS..THydrogen-bonded Turntrans-162.7-12-179.500000114.5Y246Y246-G248 VanDerWaalsContact C-N 3.27Å; Y246-G248 PolarHBondContact O-N 3.23Å
249S54.9Low60.6Low17 Ų1795.4 Ų95.412%0.11949%0.486CS..THydrogen-bonded Turntrans-89.2-8.4-178.554.80000114.2F251 A252S249-F251 PolarHBondContact O-N 3.12Å; S249-A252 PolarHBondContact O-N 3.08Å
250H51.6Low59Low134 Ų13497 Ų9762%0.6250%0.496SS*.Hα-helixtrans-58.6-19179.7-83.9-76.1000113.8
251F45Very low57.3Low174 Ų174100.8 Ų100.876%0.76351%0.511SS*.Hα-helixtrans-83.6-29.7-178.7-133-90.7000114.1S249S249-F251 PolarHBondContact O-N 3.12Å
252A49.3Very low55.2Low39 Ų39105.9 Ų105.932%0.32253%0.528SS..Hα-helixtrans-76.7-36.5-177.600000112.4S249 G256S249-A252 PolarHBondContact O-N 3.08Å; A252-G256 PolarHBondContact O-N 3.34Å
253W47.7Very low53.2Low107 Ų107114.1 Ų114.141%0.40556%0.56SS.*Hα-helixtrans-77.4-26.3-177.2-125.983.8000113.5Y183 H255 G256 Q257Y183-W253 AromaticContact CD1-CZ2 3.74Å; Y183-W253 HydrophobicContact CD1-CZ2 3.74Å; Y183-W253 AromaticContact CE1-CE2 3.8Å; Y183-W253 AromaticContact CE1-CZ2 3.44Å; Y183-W253 HydrophobicContact CE1-CZ2 3.44Å; Y183-W253 VanDerWaalsContact CE1-CZ2 3.44Å; Y183-W253 AromaticContact CE1-NE1 3.66Å; W253-H255 VanDerWaalsContact C-N 3.26Å; W253-H255 PolarHBondContact O-N 3.44Å; W253-G256 PolarHBondContact O-N 3.49Å; W253-Q257 HydrophobicContact CE3-CG 4.26Å; W253-Q257 HydrophobicContact CZ3-CG 4.08Å; W253-Q257 PolarHBondContact O-N 2.82Å
254R43.8Very low51.4Low208 Ų208116.9 Ų116.979%0.78558%0.584SS**THydrogen-bonded Turntrans-73-17.5177.9-126.7179.3-172179.51.8113.6
255H42.5Very low49.4Very low175 Ų175114.1 Ų114.181%0.8157%0.57SS**THydrogen-bonded Turntrans-99.8-5.6170.8-89.8-17.1000114W253W253-H255 VanDerWaalsContact C-N 3.26Å; W253-H255 PolarHBondContact O-N 3.44Å
256G41.1Very low48.1Very low47 Ų47113.8 Ų113.849%0.48558%0.575SS.*THydrogen-bonded Turntrans-104.9-1.3174.900000114.5A252 W253 P258A252-G256 PolarHBondContact O-N 3.34Å; W253-G256 PolarHBondContact O-N 3.49Å; G256-P258 WeakPolarHBondContact O-CD 3.46Å
257Q37.4Very low46.7Very low110 Ų110118.9 Ų118.951%0.51460%0.596SS.*SBendtrans-59.1123.3164.6-87.7-171.4-71.900107.8W253 R259W253-Q257 HydrophobicContact CE3-CG 4.26Å; W253-Q257 HydrophobicContact CZ3-CG 4.08Å; W253-Q257 PolarHBondContact O-N 2.82Å; Q257-R259 PolarHBondContact O-N 2.87Å
258P38.6Very low46Very low71 Ų71116.7 Ų116.746%0.46159%0.586SS.*  trans-54.9141166.7-16.329.2000107.7G256 D260G256-P258 WeakPolarHBondContact O-CD 3.46Å; P258-D260 HydrophobicContact CB-CB 4.4Å; P258-D260 WeakPolarHBondContact CB-OD2 3.34Å; P258-D260 PolarHBondContact O-N 3.48Å
259R36.8Very low45.7Very low186 Ų186122.8 Ų122.870%0.70260%0.601SS**SBendtrans-62.533.2173.1-83.2-178.4-78.6-165.2-4.6113.5Q257 E261 E262Q257-R259 PolarHBondContact O-N 2.87Å; R259-E261 PolarHBondContact O-N 3.26Å; R259-E262 PolarHBondContact O-N 3.48Å
260D45.4Very low45.5Very low86 Ų86128.1 Ų128.146%0.4664%0.636SS.*THydrogen-bonded Turntrans-77.1-7.7-173-65.5-6.2000112R188 P258 A264R188-D260 IonicContact NH1-OD1 3.42Å; R188-D260 IonicContact NH1-OD2 2.7Å; R188-D260 PolarHBondContact NH1-OD2 3.02Å; P258-D260 HydrophobicContact CB-CB 4.4Å; P258-D260 WeakPolarHBondContact CB-OD2 3.34Å; P258-D260 PolarHBondContact O-N 3.48Å; D260-A264 WeakPolarHBondContact O-CB 3.39Å
261E43.7Very low45.6Very low177 Ų177128.4 Ų128.483%0.82764%0.639SS**THydrogen-bonded Turntrans-90.4-12.9168.9-77.9-178.617400113.7R259R259-E261 PolarHBondContact O-N 3.26Å
262E41.6Very low46Very low151 Ų151125.5 Ų125.571%0.70663%0.632SS**THydrogen-bonded Turntrans-92.8-20.1179.9-160.9164.1-164.400112.8R259R259-E262 PolarHBondContact O-N 3.48Å
263Y41.8Very low46.2Very low181 Ų181131.3 Ų131.371%0.7165%0.652SS**SBendtrans-99.6-4.9172.6-74.8-84.3000114.1N265Y263-N265 PolarHBondContact O-N 3.36Å
264A42.8Very low46.5Very low71 Ų71131.5 Ų131.559%0.58766%0.661SS**  trans-85.520.9176.900000113.1D260 P266D260-A264 WeakPolarHBondContact O-CB 3.39Å; A264-P266 WeakPolarHBondContact O-CD 3.37Å
265N42.7Very low47.1Very low84 Ų84130 Ų13045%0.44966%0.663SS.*  trans-72.4112.2168.4-175.71.5000108.3Y263 Y267 A268Y263-N265 PolarHBondContact O-N 3.36Å; N265-Y267 PolarHBondContact O-N 3.48Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.48Å; N265-Y267 WeakPolarHBondContact OD1-CD2 3.31Å; N265-Y267 PolarHBondContact OD1-N 2.87Å; N265-A268 HydrophobicContact CB-CB 4.22Å; N265-A268 PolarHBondContact O-N 3.29Å
266P54.7Low47.7Very low120 Ų120130.9 Ų130.978%0.77966%0.66SS**THydrogen-bonded Turntrans-64.6-4.3177.6-16.232.2000113.2A264A264-P266 WeakPolarHBondContact O-CD 3.37Å
267Y54.1Low48.6Very low202 Ų202130.3 Ų130.379%0.79265%0.647SS**THydrogen-bonded Turntrans-111.510.2177.6-54.6-77.5000113.6N265 E269N265-Y267 PolarHBondContact O-N 3.48Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.48Å; N265-Y267 WeakPolarHBondContact OD1-CD2 3.31Å; N265-Y267 PolarHBondContact OD1-N 2.87Å; Y267-E269 PolarHBondContact O-N 2.96Å
268A51.8Low49.9Very low61 Ų61127.6 Ų127.650%0.50465%0.649SS.*PPolyproline II helixtrans-73.3120.5172.500000109.8N265N265-A268 HydrophobicContact CB-CB 4.22Å; N265-A268 PolarHBondContact O-N 3.29Å
269E53.3Low51.3Low177 Ų177126.9 Ų126.983%0.82766%0.655SS**PPolyproline II helixtrans-59.1142.7174.9-67.3-175.516500110.5Y267 M271Y267-E269 PolarHBondContact O-N 2.96Å; E269-M271 PolarHBondContact O-N 3.14Å; E269-M271 VanDerWaalsContact O-N 3.14Å
270P50.7Low53.1Low130 Ų130122.4 Ų122.484%0.84464%0.641SS**PPolyproline II helixtrans-61.3118.9177.3-11.124.4000109
271M52Low54.7Low140 Ų140120.9 Ų120.969%0.6964%0.637SS**PPolyproline II helixtrans-67.7134.8164.3-76.2-159-31.900108.7E269 E273E269-M271 PolarHBondContact O-N 3.14Å; E269-M271 VanDerWaalsContact O-N 3.14Å; M271-E273 PolarHBondContact O-N 3.17Å; M271-E273 VanDerWaalsContact O-N 3.13Å
272D53.9Low56Low113 Ų113119.8 Ų119.860%0.60463%0.631SS**  trans-58.6111.6174.8-129.6-19.8000109.8D274 E275D272-D274 PolarHBondContact O-N 3.17Å; D272-E275 PolarHBondContact O-N 3.13Å
273E54.3Low57.8Low160 Ų160120.1 Ų120.175%0.74863%0.633SS**Hα-helixtrans-61.1-23.8179.8-71.8-174.7156.500111.8M271 E275 T277M271-E273 PolarHBondContact O-N 3.17Å; M271-E273 VanDerWaalsContact O-N 3.13Å; E273-E275 PolarHBondContact O-N 2.78Å; E273-T277 WeakPolarHBondContact O-CG2 3.46Å; E273-T277 PolarHBondContact O-N 3.14Å; E273-T277 VanDerWaalsContact O-N 3.14Å; E273-T277 PolarHBondContact O-OG1 3.49Å
274D54.4Low59.6Low112 Ų112115.9 Ų115.960%0.59962%0.62SS**Hα-helixtrans-68.2-30.9178.7-70.6-18.8000112.7D272 G278 G279D272-D274 PolarHBondContact O-N 3.17Å; D274-G278 WeakPolarHBondContact O-CA 3.43Å; D274-G278 PolarHBondContact O-N 3.01Å; D274-G278 VanDerWaalsContact O-N 3.13Å; D274-G279 PolarHBondContact O-N 3.13Å; D274-G279 VanDerWaalsContact O-N 3.16Å
275E56.3Low61.2Low176 Ų176116 Ų11682%0.82261%0.608SS**Hα-helixtrans-79.7-32.3-179.9-166.6167.1-16500112.1D272 E273D272-E275 PolarHBondContact O-N 3.13Å; E273-E275 PolarHBondContact O-N 2.78Å
276Y53.5Low62.7Low193 Ų193116.4 Ų116.476%0.75761%0.609SS**Hα-helixtrans-78.1-37.9178.1-174.2-100.5000112.9
277T61.7Low64Low35 Ų35115.6 Ų115.622%0.21559%0.594CS.*Hα-helixtrans-89.6-6.2-179.361.70000112.9E273 G279 F280E273-T277 WeakPolarHBondContact O-CG2 3.46Å; E273-T277 PolarHBondContact O-N 3.14Å; E273-T277 VanDerWaalsContact O-N 3.14Å; E273-T277 PolarHBondContact O-OG1 3.49Å; T277-G279 PolarHBondContact O-N 3.16Å; T277-F280 WeakPolarHBondContact O-CB 3.39Å; T277-F280 VanDerWaalsContact O-CD2 3.28Å; T277-F280 WeakPolarHBondContact O-CD2 3.28Å; T277-F280 PolarHBondContact O-N 2.97Å
278G63Low65Low54 Ų54109.8 Ų109.856%0.55757%0.573SS**THydrogen-bonded Turntrans59.824.9-174.600000112.8D274 F280D274-G278 WeakPolarHBondContact O-CA 3.43Å; D274-G278 PolarHBondContact O-N 3.01Å; D274-G278 VanDerWaalsContact O-N 3.13Å; G278-F280 VanDerWaalsContact C-N 3.28Å; G278-F280 PolarHBondContact O-N 3.24Å
279G69.9Low66.1Low55 Ų55109.7 Ų109.757%0.56757%0.573SS**THydrogen-bonded Turntrans72.711.5-172.700000115.2D274 T277D274-G279 PolarHBondContact O-N 3.13Å; D274-G279 VanDerWaalsContact O-N 3.16Å; T277-G279 PolarHBondContact O-N 3.16Å
280F74.6Confident67.3Low93 Ų93106.3 Ų106.341%0.40856%0.558SS.*  trans-84.6130.8176.1-67.5-65.8000111.7T277 G278 E284 Q285T277-F280 WeakPolarHBondContact O-CB 3.39Å; T277-F280 VanDerWaalsContact O-CD2 3.28Å; T277-F280 WeakPolarHBondContact O-CD2 3.28Å; T277-F280 PolarHBondContact O-N 2.97Å; G278-F280 VanDerWaalsContact C-N 3.28Å; G278-F280 PolarHBondContact O-N 3.24Å; F280-E284 HydrophobicContact CB-CB 3.98Å; F280-E284 HydrophobicContact CD1-CB 3.94Å; F280-E284 HydrophobicContact CG-CB 4.35Å; F280-Q285 HydrophobicContact CB-CG 3.84Å; F280-Q285 PolarHBondContact O-NE2 3.25Å
281S77.6Confident68.8Low54 Ų54108 Ų10838%0.37855%0.548SS..  trans-58.3154.1166.763.50000111.1Q283 E284 Q285S281-Q283 PolarHBondContact O-N 3.06Å; S281-Q283 VanDerWaalsContact O-N 3.12Å; S281-E284 WeakPolarHBondContact CB-OE2 3.29Å; S281-E284 PolarHBondContact N-OE2 3.3Å; S281-E284 WeakPolarHBondContact O-CA 3.41Å; S281-E284 WeakPolarHBondContact O-CB 3.46Å; S281-E284 PolarHBondContact O-N 2.99Å; S281-E284 VanDerWaalsContact OG-CD 3.31Å; S281-E284 VanDerWaalsContact OG-CG 3.31Å; S281-E284 WeakPolarHBondContact OG-CG 3.47Å; S281-E284 PolarHBondContact OG-N 3.35Å; S281-E284 PolarHBondContact OG-OE2 2.91Å; S281-Q285 PolarHBondContact O-N 3.49Å
282E71.5Confident70Confident153 Ų153111.5 Ų111.572%0.71555%0.553SS**Hα-helixtrans-53.2-37.8179.4-168-177179.900112E284 Q285 I286E282-E284 PolarHBondContact O-N 3.12Å; E282-Q285 PolarHBondContact O-N 3.27Å; E282-I286 HydrophobicContact CG-CD1 4.47Å; E282-I286 VanDerWaalsContact O-CG1 3.29Å; E282-I286 WeakPolarHBondContact O-CG1 3.41Å; E282-I286 PolarHBondContact O-N 3.5Å
283Q78.6Confident70.7Confident158 Ų158110.8 Ų110.874%0.73856%0.557SS**Hα-helixtrans-64.8-39.4176.8-68.6158.93.300112S281 F287S281-Q283 PolarHBondContact O-N 3.06Å; S281-Q283 VanDerWaalsContact O-N 3.12Å; Q283-F287 WeakPolarHBondContact O-CB 3.37Å; Q283-F287 PolarHBondContact O-N 2.92Å
284E80.1Confident70.6Confident92 Ų92114.8 Ų114.843%0.4357%0.572SS.*Hα-helixtrans-68.6-37.8175-75.6166.4138.100112F280 S281 E282 F287 H288F280-E284 HydrophobicContact CB-CB 3.98Å; F280-E284 HydrophobicContact CD1-CB 3.94Å; F280-E284 HydrophobicContact CG-CB 4.35Å; S281-E284 WeakPolarHBondContact CB-OE2 3.29Å; S281-E284 PolarHBondContact N-OE2 3.3Å; S281-E284 WeakPolarHBondContact O-CA 3.41Å; S281-E284 WeakPolarHBondContact O-CB 3.46Å; S281-E284 PolarHBondContact O-N 2.99Å; S281-E284 VanDerWaalsContact OG-CD 3.31Å; S281-E284 VanDerWaalsContact OG-CG 3.31Å; S281-E284 WeakPolarHBondContact OG-CG 3.47Å; S281-E284 PolarHBondContact OG-N 3.35Å; S281-E284 PolarHBondContact OG-OE2 2.91Å; E282-E284 PolarHBondContact O-N 3.12Å; E284-F287 PolarHBondContact O-N 3.37Å; E284-H288 WeakPolarHBondContact O-CB 3.4Å; E284-H288 PolarHBondContact O-N 3.1Å
285Q76.2Confident71.4Confident75 Ų75115 Ų11535%0.3557%0.571SS.*Hα-helixtrans-62.6-44.5176.1-66176.845.900111.5F280 S281 E282 F287 H288 A289F280-Q285 HydrophobicContact CB-CG 3.84Å; F280-Q285 PolarHBondContact O-NE2 3.25Å; S281-Q285 PolarHBondContact O-N 3.49Å; E282-Q285 PolarHBondContact O-N 3.27Å; Q285-F287 VanDerWaalsContact C-N 3.35Å; Q285-F287 PolarHBondContact O-N 2.94Å; Q285-H288 PolarHBondContact O-N 3.5Å; Q285-A289 WeakPolarHBondContact O-CB 3.31Å; Q285-A289 PolarHBondContact O-N 3.33Å
286I75.2Confident72.2Confident92 Ų92111.7 Ų111.747%0.47256%0.558SS.*Hα-helixtrans-62.5-43.6175.4-62.6168.4000110E282 H288 A289 M290E282-I286 HydrophobicContact CG-CD1 4.47Å; E282-I286 VanDerWaalsContact O-CG1 3.29Å; E282-I286 WeakPolarHBondContact O-CG1 3.41Å; E282-I286 PolarHBondContact O-N 3.5Å; I286-H288 PolarHBondContact O-N 3.23Å; I286-A289 PolarHBondContact O-N 3.38Å; I286-M290 HydrophobicContact CG2-CE 3.98Å; I286-M290 WeakPolarHBondContact O-CG 3.48Å; I286-M290 PolarHBondContact O-N 3.2Å
287F81.1Confident73.3Confident103 Ų103107.2 Ų107.245%0.45255%0.547SS..Hα-helixtrans-64.7-40.2178-170.7-99.5000112.6Q283 E284 Q285 M290 R291Q283-F287 WeakPolarHBondContact O-CB 3.37Å; Q283-F287 PolarHBondContact O-N 2.92Å; E284-F287 PolarHBondContact O-N 3.37Å; Q285-F287 VanDerWaalsContact C-N 3.35Å; Q285-F287 PolarHBondContact O-N 2.94Å; F287-M290 HydrophobicContact CD2-CE 4.26Å; F287-M290 PolarHBondContact O-N 3.03Å; F287-R291 HydrophobicContact CE1-CG 4.38Å; F287-R291 PolarHBondContact O-N 3.04Å
288H75.9Confident73.9Confident79 Ų79111.5 Ų111.537%0.36657%0.566SS.*Hα-helixtrans-64.8-40.4175-112.7-85.7000112.2E284 Q285 I286 R291 R292E284-H288 WeakPolarHBondContact O-CB 3.4Å; E284-H288 PolarHBondContact O-N 3.1Å; Q285-H288 PolarHBondContact O-N 3.5Å; I286-H288 PolarHBondContact O-N 3.23Å; H288-R291 PolarHBondContact O-N 3.38Å; H288-R292 PolarHBondContact O-N 3.45Å
289A74.8Confident74.6Confident59 Ų59115.1 Ų115.149%0.48857%0.567SS.*Hα-helixtrans-62.9-45174.700000111.4Q285 I286 R291 R292 S293Q285-A289 WeakPolarHBondContact O-CB 3.31Å; Q285-A289 PolarHBondContact O-N 3.33Å; I286-A289 PolarHBondContact O-N 3.38Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 2.85Å; A289-R292 PolarHBondContact O-N 2.76Å; A289-S293 PolarHBondContact O-N 3.42Å
290M78.4Confident74.9Confident106 Ų106119.1 Ų119.152%0.52257%0.567SS.*Hα-helixtrans-63.1-33176.7-73.6-169.5-69.100113.3I286 F287 S293I286-M290 HydrophobicContact CG2-CE 3.98Å; I286-M290 WeakPolarHBondContact O-CG 3.48Å; I286-M290 PolarHBondContact O-N 3.2Å; F287-M290 HydrophobicContact CD2-CE 4.26Å; F287-M290 PolarHBondContact O-N 3.03Å; M290-S293 PolarHBondContact O-OG 2.82Å; M290-S293 VanDerWaalsContact O-OG 3.1Å
291R81Confident75Confident165 Ų165120.9 Ų120.962%0.62358%0.578SS**Hα-helixtrans-71.1-34.3175.5-96.6-174.5174.3168.90.2113.2F287 H288 A289 S293F287-R291 HydrophobicContact CE1-CG 4.38Å; F287-R291 PolarHBondContact O-N 3.04Å; H288-R291 PolarHBondContact O-N 3.38Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 2.85Å; R291-S293 VanDerWaalsContact C-N 3.31Å
292R78.5Confident74.8Confident214 Ų214126.1 Ų126.181%0.80859%0.593SS**Hα-helixtrans-79.3-13.5179.2-73.2-175.2173.9173.50.7113.4H288 A289H288-R292 PolarHBondContact O-N 3.45Å; A289-R292 PolarHBondContact O-N 2.76Å
293S67.3Low75Confident98 Ų98123.8 Ų123.869%0.68558%0.583SS**THydrogen-bonded Turntrans-95.313.7179.269.80000114.5A289 M290 R291A289-S293 PolarHBondContact O-N 3.42Å; M290-S293 PolarHBondContact O-OG 2.82Å; M290-S293 VanDerWaalsContact O-OG 3.1Å; R291-S293 VanDerWaalsContact C-N 3.31Å
294K53.2Low74.7Confident245 Ų245120.7 Ų120.7100%1.06557%0.569SS**  trans-110.50170.5-74.9-170.7177.9-175.70109.9

Retrieved 294 of 294 residues in 66 ms (Link to these results)

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