A0A077ZI65_TRITR Loading...

p450 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 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
1M84.3Confident86.7Confident146 Ų14685.5 Ų85.572%0.71950%0.497SS*.  0150.50-176.9-174.6-177.900109.4F3 S16 D17M1-F3 HydrophobicContact CE-CD1 3.88Å; M1-F3 HydrophobicContact CE-CE1 4.32Å; M1-F3 HydrophobicContact CG-CD1 4.35Å; M1-F3 HydrophobicContact SD-CD1 4.27Å; M1-F3 HydrophobicContact SD-CE1 4.43Å; M1-S16 WeakPolarHBondContact CB-OG 3.33Å; M1-S16 PolarHBondContact N-OG 3.06Å; M1-S16 VanDerWaalsContact N-OG 3.09Å; M1-S16 PolarHBondContact O-N 3.37Å; M1-S16 PolarHBondContact O-OG 3.44Å; M1-D17 PolarHBondContact O-N 2.87Å
2S86Confident87.1Confident51 Ų5178.5 Ų78.536%0.35746%0.457SS..EExtended strand (participates in β ladder)trans-144.7134.1172.260.40000111.3V14S2-V14 VanDerWaalsContact CA-O 3.27Å; S2-V14 WeakPolarHBondContact CA-O 3.46Å
3F90.1Very high87.6Confident82 Ų8272.7 Ų72.736%0.3642%0.423SS..EExtended strand (participates in β ladder)trans-148160.3177.960.9-86.3000111.3M1 I5 V14M1-F3 HydrophobicContact CE-CD1 3.88Å; M1-F3 HydrophobicContact CE-CE1 4.32Å; M1-F3 HydrophobicContact CG-CD1 4.35Å; M1-F3 HydrophobicContact SD-CD1 4.27Å; M1-F3 HydrophobicContact SD-CE1 4.43Å; F3-I5 HydrophobicContact CD2-CG2 3.68Å; F3-I5 HydrophobicContact CE2-CG2 3.53Å; F3-V14 HydrophobicContact CD1-CB 4.31Å; F3-V14 HydrophobicContact CD2-CB 4.24Å; F3-V14 HydrophobicContact CD2-CG2 4.36Å; F3-V14 HydrophobicContact CE1-CB 3.94Å; F3-V14 HydrophobicContact CE1-CG1 3.84Å; F3-V14 HydrophobicContact CE2-CB 3.87Å; F3-V14 HydrophobicContact CE2-CG1 4.3Å; F3-V14 HydrophobicContact CE2-CG2 3.84Å; F3-V14 HydrophobicContact CG-CB 4.45Å; F3-V14 HydrophobicContact CZ-CB 3.71Å; F3-V14 HydrophobicContact CZ-CG1 3.66Å; F3-V14 HydrophobicContact CZ-CG2 4.05Å; F3-V14 PolarHBondContact N-O 3.42Å; F3-V14 PolarHBondContact O-N 2.86Å
4R89.7Confident88.1Confident141 Ų14168 Ų6853%0.53240%0.395SS..EExtended strand (participates in β ladder)trans-102.9138.1179.6-67.4-179.4179.9-168-3.4110.3V12 L13 T176R4-V12 WeakPolarHBondContact CA-O 3.5Å; R4-L13 HydrophobicContact CG-CD1 3.89Å; R4-T176 PolarHBondContact NH2-O 3.2Å
5I91.9Very high88.5Confident69 Ų6963.5 Ų63.535%0.35437%0.369SS..EExtended strand (participates in β ladder)trans-127.1161.6170.167175.6000109.7F3 V12 V14F3-I5 HydrophobicContact CD2-CG2 3.68Å; F3-I5 HydrophobicContact CE2-CG2 3.53Å; I5-V12 HydrophobicContact CG1-CB 3.87Å; I5-V12 PolarHBondContact N-O 2.8Å; I5-V12 PolarHBondContact O-N 2.94Å; I5-V14 HydrophobicContact CD1-CG2 3.81Å; I5-V14 HydrophobicContact CG1-CG2 3.97Å; I5-V14 HydrophobicContact CG2-CG2 4.32Å
6M88.9Confident88.8Confident122 Ų12260.6 Ų60.660%0.60135%0.353SS*.EExtended strand (participates in β ladder)trans-99.5123.9167.1-65.5-61.2-68.700108.5P11M6-P11 HydrophobicContact SD-CB 3.98Å
7D83.8Confident89.1Confident86 Ų8661 Ų6146%0.4635%0.354SS..EExtended strand (participates in β ladder)trans-104.3100.9166.6-178.212.7000108.4G9 V10 V12 K36D7-G9 PolarHBondContact O-N 3.28Å; D7-V10 PolarHBondContact N-O 2.68Å; D7-V10 PolarHBondContact O-N 3.12Å; D7-V12 HydrophobicContact CB-CG2 3.71Å; D7-K36 WeakPolarHBondContact OD2-CE 3.4Å; D7-K36 IonicContact OD2-NZ 3.95Å; D7-K36 PolarHBondContact OD2-NZ 2.77Å
8G84.2Confident89.4Confident66 Ų6659.1 Ų59.168%0.6834%0.342SS*.THydrogen-bonded Turntrans56-122.4-162.200000110.4
9G83.6Confident89.6Confident73 Ų7361.3 Ų61.375%0.75335%0.349SS*.THydrogen-bonded Turntrans-91.24.1177.800000115.1D7D7-G9 PolarHBondContact O-N 3.28Å
10V84.1Confident89.8Confident57 Ų5758.7 Ų58.735%0.34533%0.334SS..EExtended strand (participates in β ladder)trans-108.9125.6-173.8-1710000110.8D7 Y182D7-V10 PolarHBondContact N-O 2.68Å; D7-V10 PolarHBondContact O-N 3.12Å; V10-Y182 HydrophobicContact CB-CD2 4.43Å; V10-Y182 HydrophobicContact CB-CE2 4.46Å; V10-Y182 HydrophobicContact CG1-CD2 3.56Å; V10-Y182 HydrophobicContact CG1-CE2 3.7Å
11P87.5Confident90.1Very high48 Ų4855.9 Ų55.931%0.31232%0.318SS..EExtended strand (participates in β ladder)trans-69.3134.417528.9-35000111.1M6 M181 Y182M6-P11 HydrophobicContact SD-CB 3.98Å; P11-M181 HydrophobicContact CB-CE 4.24Å; P11-M181 HydrophobicContact CG-CG 4.17Å; P11-Y182 PolarHBondContact O-N 3.13Å
12V91.7Very high90.5Very high1 Ų150.8 Ų50.81%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-124.8128.1178.2-173.10000109R4 I5 D7 Y182 L184R4-V12 WeakPolarHBondContact CA-O 3.5Å; I5-V12 HydrophobicContact CG1-CB 3.87Å; I5-V12 PolarHBondContact N-O 2.8Å; I5-V12 PolarHBondContact O-N 2.94Å; D7-V12 HydrophobicContact CB-CG2 3.71Å; V12-Y182 CarbonylContact C-O 3.58Å; V12-Y182 WeakPolarHBondContact CA-O 3.25Å; V12-L184 HydrophobicContact CG1-CB 3.85Å
13L93.5Very high90.9Very high3 Ų349.8 Ų49.82%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-90.7116.6170.3-177.965.6000109R4 I15 M20 I177 Y182 I183 L184R4-L13 HydrophobicContact CG-CD1 3.89Å; L13-I15 HydrophobicContact CD2-CD1 3.77Å; L13-I15 HydrophobicContact CD2-CG1 4.09Å; L13-I15 HydrophobicContact CG-CD1 4.03Å; L13-I15 HydrophobicContact CG-CG1 3.81Å; L13-M20 HydrophobicContact CD2-CE 3.69Å; L13-I177 HydrophobicContact CD2-CD1 3.62Å; L13-I177 HydrophobicContact CD2-CG1 4.04Å; L13-Y182 PolarHBondContact N-O 2.82Å; L13-I183 CarbonylContact O-C 3.3Å; L13-I183 VanDerWaalsContact O-CA 3.28Å; L13-I183 WeakPolarHBondContact O-CA 3.43Å; L13-L184 PolarHBondContact O-N 3.36Å
14V93.9Very high91.1Very high7 Ų745.9 Ų45.94%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-91.6129.7174.5-173.30000108.7S2 F3 I5 L184 D186S2-V14 VanDerWaalsContact CA-O 3.27Å; S2-V14 WeakPolarHBondContact CA-O 3.46Å; F3-V14 HydrophobicContact CD1-CB 4.31Å; F3-V14 HydrophobicContact CD2-CB 4.24Å; F3-V14 HydrophobicContact CD2-CG2 4.36Å; F3-V14 HydrophobicContact CE1-CB 3.94Å; F3-V14 HydrophobicContact CE1-CG1 3.84Å; F3-V14 HydrophobicContact CE2-CB 3.87Å; F3-V14 HydrophobicContact CE2-CG1 4.3Å; F3-V14 HydrophobicContact CE2-CG2 3.84Å; F3-V14 HydrophobicContact CG-CB 4.45Å; F3-V14 HydrophobicContact CZ-CB 3.71Å; F3-V14 HydrophobicContact CZ-CG1 3.66Å; F3-V14 HydrophobicContact CZ-CG2 4.05Å; F3-V14 PolarHBondContact N-O 3.42Å; F3-V14 PolarHBondContact O-N 2.86Å; I5-V14 HydrophobicContact CD1-CG2 3.81Å; I5-V14 HydrophobicContact CG1-CG2 3.97Å; I5-V14 HydrophobicContact CG2-CG2 4.32Å; V14-L184 CarbonylContact C-O 3.56Å; V14-L184 VanDerWaalsContact CA-O 3.31Å; V14-L184 WeakPolarHBondContact CA-O 3.21Å; V14-L184 HydrophobicContact CG2-CB 4.35Å; V14-L184 HydrophobicContact CG2-CD2 4.38Å; V14-D186 HydrophobicContact CG1-CB 3.91Å
15I93.8Very high91.3Very high0 Ų039.1 Ų39.10%024%0.242CC..EExtended strand (participates in β ladder)trans-132.8128.5-173.3-52.8177000110.4L13 D17 M20 L21 I24 I183 L184 V185 D186L13-I15 HydrophobicContact CD2-CD1 3.77Å; L13-I15 HydrophobicContact CD2-CG1 4.09Å; L13-I15 HydrophobicContact CG-CD1 4.03Å; L13-I15 HydrophobicContact CG-CG1 3.81Å; I15-D17 HydrophobicContact CG2-CB 4.27Å; I15-M20 HydrophobicContact CD1-CE 4.03Å; I15-M20 HydrophobicContact CD1-CG 4.17Å; I15-M20 HydrophobicContact CD1-SD 3.73Å; I15-M20 HydrophobicContact CG1-SD 4.1Å; I15-M20 HydrophobicContact CG2-CB 4.09Å; I15-M20 HydrophobicContact CG2-CG 4.28Å; I15-M20 HydrophobicContact CG2-SD 4.05Å; I15-L21 HydrophobicContact CB-CD2 4.28Å; I15-L21 HydrophobicContact CG2-CD2 3.96Å; I15-L21 HydrophobicContact CG2-CG 3.96Å; I15-I24 HydrophobicContact CD1-CD1 3.19Å; I15-I183 HydrophobicContact CD1-CG2 3.53Å; I15-I183 HydrophobicContact CG1-CG2 4.11Å; I15-L184 PolarHBondContact N-O 3.38Å; I15-V185 WeakPolarHBondContact O-CA 3.46Å; I15-D186 PolarHBondContact O-N 3.06Å
16S94.3Very high91.4Very high17 Ų1740 Ų4012%0.11925%0.246CC..  trans-122.20164.561.90000112.8M1M1-S16 WeakPolarHBondContact CB-OG 3.33Å; M1-S16 PolarHBondContact N-OG 3.06Å; M1-S16 VanDerWaalsContact N-OG 3.09Å; M1-S16 PolarHBondContact O-N 3.37Å; M1-S16 PolarHBondContact O-OG 3.44Å
17D94.1Very high91.6Very high68 Ų6840.1 Ų40.136%0.36424%0.243SC..  trans-72.6122.6175.7-175.4-94.6000111.7M1 I15 E19 M20 L21M1-D17 PolarHBondContact O-N 2.87Å; I15-D17 HydrophobicContact CG2-CB 4.27Å; D17-E19 PolarHBondContact OD1-N 3.47Å; D17-M20 HydrophobicContact CB-CB 3.99Å; D17-M20 WeakPolarHBondContact OD1-CB 3.23Å; D17-M20 PolarHBondContact OD1-N 2.62Å; D17-L21 VanDerWaalsContact O-CG 3.25Å; D17-L21 WeakPolarHBondContact O-CG 3.4Å; D17-L21 PolarHBondContact O-N 2.78Å
18L94.8Very high92.1Very high26 Ų2637.8 Ų37.814%0.13623%0.231CC..Hα-helixtrans-70.8-35.1-169.8-56.5-170.9000113.6L21 N22 I190 I196 H218 F220L18-L21 PolarHBondContact O-N 3.17Å; L18-N22 PolarHBondContact O-N 3.13Å; L18-I190 HydrophobicContact CD2-CD1 4.38Å; L18-I190 HydrophobicContact CD2-CG1 4.25Å; L18-I190 HydrophobicContact CD2-CG2 3.8Å; L18-I196 HydrophobicContact CD1-CD1 3.75Å; L18-I196 HydrophobicContact CD1-CG1 4.4Å; L18-I196 HydrophobicContact CD2-CD1 4.14Å; L18-I196 HydrophobicContact CG-CD1 4.17Å; L18-H218 WeakPolarHBondContact CB-ND1 3.5Å; L18-H218 HydrophobicContact CD1-CB 3.6Å; L18-H218 PolarHBondContact O-CE1 2.78Å; L18-F220 HydrophobicContact CD2-CB 4.24Å
19E93.3Very high92.5Very high102 Ų10235.8 Ų35.848%0.47720%0.203SC..Hα-helixtrans-71.6-43178.5-71.8-60.915800110.8D17 L21 N22 D23 H218D17-E19 PolarHBondContact OD1-N 3.47Å; E19-L21 VanDerWaalsContact C-N 3.26Å; E19-L21 PolarHBondContact O-N 3.17Å; E19-N22 WeakPolarHBondContact O-CB 3.42Å; E19-N22 PolarHBondContact O-N 3.38Å; E19-N22 VanDerWaalsContact O-N 3.13Å; E19-D23 PolarHBondContact O-N 3.5Å; E19-H218 IonicContact OE1-CD2 2.61Å; E19-H218 IonicContact OE1-NE2 3.56Å
20M93.5Very high93Very high8 Ų837.8 Ų37.84%0.03919%0.193CC..Hα-helixtrans-60.7-38.5174-162.9179.2-169.600111.4L13 I15 D17 D23 I24 T172 I175 I177L13-M20 HydrophobicContact CD2-CE 3.69Å; I15-M20 HydrophobicContact CD1-CE 4.03Å; I15-M20 HydrophobicContact CD1-CG 4.17Å; I15-M20 HydrophobicContact CD1-SD 3.73Å; I15-M20 HydrophobicContact CG1-SD 4.1Å; I15-M20 HydrophobicContact CG2-CB 4.09Å; I15-M20 HydrophobicContact CG2-CG 4.28Å; I15-M20 HydrophobicContact CG2-SD 4.05Å; D17-M20 HydrophobicContact CB-CB 3.99Å; D17-M20 WeakPolarHBondContact OD1-CB 3.23Å; D17-M20 PolarHBondContact OD1-N 2.62Å; M20-D23 PolarHBondContact O-N 3.05Å; M20-I24 HydrophobicContact CE-CD1 4.34Å; M20-I24 HydrophobicContact CG-CD1 3.83Å; M20-I24 WeakPolarHBondContact O-CB 3.3Å; M20-I24 VanDerWaalsContact O-CD1 3.32Å; M20-I24 WeakPolarHBondContact O-CD1 3.31Å; M20-I24 VanDerWaalsContact O-CG1 3.27Å; M20-I24 WeakPolarHBondContact O-CG1 3.17Å; M20-I24 PolarHBondContact O-N 3.26Å; M20-T172 HydrophobicContact CE-CG2 3.83Å; M20-T172 HydrophobicContact CG-CG2 4.48Å; M20-I175 HydrophobicContact CE-CB 4.3Å; M20-I175 HydrophobicContact CE-CD1 3.98Å; M20-I177 HydrophobicContact CE-CD1 4.15Å
21L94.5Very high93.4Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-63.8-44.1173.4-71.2173.5000112.3I15 D17 L18 E19 D23 I24 F25 V185 I190 F220I15-L21 HydrophobicContact CB-CD2 4.28Å; I15-L21 HydrophobicContact CG2-CD2 3.96Å; I15-L21 HydrophobicContact CG2-CG 3.96Å; D17-L21 VanDerWaalsContact O-CG 3.25Å; D17-L21 WeakPolarHBondContact O-CG 3.4Å; D17-L21 PolarHBondContact O-N 2.78Å; L18-L21 PolarHBondContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.26Å; E19-L21 PolarHBondContact O-N 3.17Å; L21-D23 VanDerWaalsContact C-N 3.33Å; L21-D23 PolarHBondContact O-N 2.85Å; L21-I24 PolarHBondContact O-N 2.76Å; L21-F25 HydrophobicContact CD2-CD2 4.31Å; L21-F25 HydrophobicContact CD2-CE2 3.89Å; L21-F25 HydrophobicContact CD2-CZ 4.45Å; L21-F25 VanDerWaalsContact O-CB 3.23Å; L21-F25 WeakPolarHBondContact O-CB 3.44Å; L21-F25 WeakPolarHBondContact O-CD2 3.3Å; L21-F25 PolarHBondContact O-N 3.05Å; L21-V185 HydrophobicContact CD1-CG1 3.89Å; L21-V185 HydrophobicContact CD2-CB 4.22Å; L21-V185 HydrophobicContact CD2-CG1 3.77Å; L21-V185 HydrophobicContact CD2-CG2 3.48Å; L21-V185 VanDerWaalsContact CD2-CG2 3.48Å; L21-I190 HydrophobicContact CD1-CD1 3.46Å; L21-I190 VanDerWaalsContact CD1-CD1 3.46Å; L21-F220 HydrophobicContact CB-CB 4.44Å; L21-F220 HydrophobicContact CB-CD1 3.69Å; L21-F220 HydrophobicContact CB-CE1 4.13Å; L21-F220 HydrophobicContact CB-CG 4.11Å; L21-F220 HydrophobicContact CD1-CD1 4.46Å
22N94.5Very high93.7Very high39 Ų3932.9 Ų32.921%0.20916%0.162CC..Hα-helixtrans-58.3-45.8175.5-176.339000111.4L18 E19 I26 K27 F220L18-N22 PolarHBondContact O-N 3.13Å; E19-N22 WeakPolarHBondContact O-CB 3.42Å; E19-N22 PolarHBondContact O-N 3.38Å; E19-N22 VanDerWaalsContact O-N 3.13Å; N22-I26 WeakPolarHBondContact O-CA 3.39Å; N22-I26 VanDerWaalsContact O-CB 3.25Å; N22-I26 WeakPolarHBondContact O-CB 3.41Å; N22-I26 PolarHBondContact O-N 3.39Å; N22-K27 PolarHBondContact O-N 3.49Å; N22-F220 VanDerWaalsContact CA-CE2 3.5Å; N22-F220 HydrophobicContact CB-CD2 4.03Å; N22-F220 HydrophobicContact CB-CE2 3.77Å; N22-F220 HydrophobicContact CB-CZ 4.49Å
23D93.7Very high93.6Very high30 Ų3034.6 Ų34.616%0.1617%0.17CC..Iπ-helixtrans-60.5-49.5176.2-72.6-9.4000111.9E19 M20 L21 K27 N28 T172E19-D23 PolarHBondContact O-N 3.5Å; M20-D23 PolarHBondContact O-N 3.05Å; L21-D23 VanDerWaalsContact C-N 3.33Å; L21-D23 PolarHBondContact O-N 2.85Å; D23-K27 PolarHBondContact O-N 2.93Å; D23-K27 VanDerWaalsContact O-N 3.16Å; D23-K27 VanDerWaalsContact OD1-CD 3.22Å; D23-K27 WeakPolarHBondContact OD1-CD 3.36Å; D23-K27 VanDerWaalsContact OD1-CE 3.22Å; D23-K27 WeakPolarHBondContact OD1-CE 3.19Å; D23-K27 IonicContact OD1-NZ 3.47Å; D23-K27 PolarHBondContact OD1-NZ 3.38Å; D23-N28 WeakPolarHBondContact O-CB 3.42Å; D23-N28 PolarHBondContact O-N 3.18Å; D23-T172 WeakPolarHBondContact CB-OG1 3.31Å
24I93.8Very high93.4Very high0 Ų034.6 Ų34.60%017%0.171CC..Iπ-helixtrans-66.9-42.4-177.5-70.9159.5000111.8I15 M20 L21 F32 R164 T172 I177 I183I15-I24 HydrophobicContact CD1-CD1 3.19Å; M20-I24 HydrophobicContact CE-CD1 4.34Å; M20-I24 HydrophobicContact CG-CD1 3.83Å; M20-I24 WeakPolarHBondContact O-CB 3.3Å; M20-I24 VanDerWaalsContact O-CD1 3.32Å; M20-I24 WeakPolarHBondContact O-CD1 3.31Å; M20-I24 VanDerWaalsContact O-CG1 3.27Å; M20-I24 WeakPolarHBondContact O-CG1 3.17Å; M20-I24 PolarHBondContact O-N 3.26Å; L21-I24 PolarHBondContact O-N 2.76Å; I24-F32 HydrophobicContact CB-CD2 4.08Å; I24-F32 HydrophobicContact CB-CE2 4.24Å; I24-F32 HydrophobicContact CG1-CD2 4.26Å; I24-F32 HydrophobicContact CG1-CE2 3.9Å; I24-F32 HydrophobicContact CG1-CZ 4.27Å; I24-F32 HydrophobicContact CG2-CB 3.98Å; I24-F32 HydrophobicContact CG2-CD1 4.21Å; I24-F32 HydrophobicContact CG2-CD2 3.61Å; I24-F32 HydrophobicContact CG2-CE2 4.09Å; I24-F32 HydrophobicContact CG2-CG 3.67Å; I24-F32 WeakPolarHBondContact O-CD2 3.35Å; I24-R164 HydrophobicContact CG2-CG 4.47Å; I24-T172 HydrophobicContact CD1-CG2 4.16Å; I24-T172 HydrophobicContact CG1-CG2 3.82Å; I24-I177 HydrophobicContact CD1-CD1 4.39Å; I24-I183 HydrophobicContact CD1-CD1 3.89Å; I24-I183 HydrophobicContact CG1-CD1 4.23Å; I24-I183 HydrophobicContact CG2-CD1 3.74Å
25F94.3Very high93.1Very high0 Ų036.1 Ų36.10%018%0.176CC..Iπ-helixtrans-88.4-24.3-169-78.4-130.5000112.8L21 V162 R164 V185 F220 A227 P229L21-F25 HydrophobicContact CD2-CD2 4.31Å; L21-F25 HydrophobicContact CD2-CE2 3.89Å; L21-F25 HydrophobicContact CD2-CZ 4.45Å; L21-F25 VanDerWaalsContact O-CB 3.23Å; L21-F25 WeakPolarHBondContact O-CB 3.44Å; L21-F25 WeakPolarHBondContact O-CD2 3.3Å; L21-F25 PolarHBondContact O-N 3.05Å; F25-V162 HydrophobicContact CE1-CG1 3.72Å; F25-V162 HydrophobicContact CZ-CG1 3.9Å; F25-V162 WeakPolarHBondContact CZ-O 3.33Å; F25-R164 VanDerWaalsContact CE1-CZ 3.42Å; F25-R164 HydrophobicContact CE2-CG 3.89Å; F25-R164 HydrophobicContact CZ-CG 3.93Å; F25-V185 HydrophobicContact CE1-CG2 4.44Å; F25-V185 HydrophobicContact CE2-CG2 3.79Å; F25-V185 HydrophobicContact CZ-CG2 3.42Å; F25-V185 VanDerWaalsContact CZ-CG2 3.42Å; F25-F220 HydrophobicContact CB-CE1 3.62Å; F25-F220 HydrophobicContact CB-CZ 3.7Å; F25-F220 AromaticContact CD1-CE1 3.94Å; F25-F220 HydrophobicContact CD1-CE1 3.94Å; F25-F220 AromaticContact CG-CE1 3.82Å; F25-F220 HydrophobicContact CG-CE1 3.82Å; F25-F220 HydrophobicContact CG-CZ 4.41Å; F25-A227 HydrophobicContact CD1-CB 4.01Å; F25-A227 WeakPolarHBondContact CD1-O 3.32Å; F25-P229 VanDerWaalsContact O-CD 3.28Å; F25-P229 WeakPolarHBondContact O-CD 3.3Å
26I94.3Very high92.5Very high86 Ų8638.2 Ų38.244%0.44119%0.185SC..Iπ-helixtrans-114.6-68.7-177.6-50.7-60.2000110.3N22 F29 F220N22-I26 WeakPolarHBondContact O-CA 3.39Å; N22-I26 VanDerWaalsContact O-CB 3.25Å; N22-I26 WeakPolarHBondContact O-CB 3.41Å; N22-I26 PolarHBondContact O-N 3.39Å; I26-F29 PolarHBondContact O-N 3.44Å; I26-F220 HydrophobicContact CD1-CZ 4.24Å; I26-F220 HydrophobicContact CG1-CE2 4.13Å; I26-F220 HydrophobicContact CG1-CZ 3.87Å
27K93.2Very high91.3Very high126 Ų12640.7 Ų40.755%0.54820%0.199SC..Iπ-helixtrans-65.7-48.7-168.8-56.3-174.4-165.7154.10112.1N22 D23N22-K27 PolarHBondContact O-N 3.49Å; D23-K27 PolarHBondContact O-N 2.93Å; D23-K27 VanDerWaalsContact O-N 3.16Å; D23-K27 VanDerWaalsContact OD1-CD 3.22Å; D23-K27 WeakPolarHBondContact OD1-CD 3.36Å; D23-K27 VanDerWaalsContact OD1-CE 3.22Å; D23-K27 WeakPolarHBondContact OD1-CE 3.19Å; D23-K27 IonicContact OD1-NZ 3.47Å; D23-K27 PolarHBondContact OD1-NZ 3.38Å
28N93.5Very high89.8Confident37 Ų3739.6 Ų39.620%0.19819%0.194CC..THydrogen-bonded Turntrans-100.621.5-177.5-65.4-33.2000112.7D23 H30 C31 F32D23-N28 WeakPolarHBondContact O-CB 3.42Å; D23-N28 PolarHBondContact O-N 3.18Å; N28-H30 PolarHBondContact O-N 3.22Å; N28-C31 WeakPolarHBondContact O-CB 3.33Å; N28-C31 PolarHBondContact O-N 3.04Å; N28-F32 HydrophobicContact CB-CD2 4.04Å; N28-F32 HydrophobicContact CB-CE2 3.89Å; N28-F32 VanDerWaalsContact O-CD2 3.26Å; N28-F32 WeakPolarHBondContact O-CD2 3.42Å; N28-F32 PolarHBondContact O-N 3Å
29F93.4Very high87.6Confident24 Ų2445.1 Ų45.111%0.10522%0.223CC..THydrogen-bonded Turntrans-54.3-30.3-177.4176.7-102.5000113.6I26 C31 F32 H33 W62 P229 R230I26-F29 PolarHBondContact O-N 3.44Å; F29-C31 PolarHBondContact O-N 3.25Å; F29-F32 CarbonylContact O-C 3.57Å; F29-F32 PolarHBondContact O-N 2.81Å; F29-H33 HydrophobicContact CE1-CB 3.94Å; F29-H33 HydrophobicContact CE2-CB 4.2Å; F29-H33 HydrophobicContact CZ-CB 3.72Å; F29-H33 PolarHBondContact O-N 2.84Å; F29-H33 VanDerWaalsContact O-N 3.11Å; F29-W62 HydrophobicContact CE1-CZ3 4.06Å; F29-W62 HydrophobicContact CZ-CE3 4.47Å; F29-W62 HydrophobicContact CZ-CH2 4.11Å; F29-W62 AromaticContact CZ-CZ3 3.72Å; F29-W62 HydrophobicContact CZ-CZ3 3.72Å; F29-P229 HydrophobicContact CD1-CB 4.33Å; F29-P229 HydrophobicContact CD1-CG 3.85Å; F29-P229 HydrophobicContact CD2-CB 4.31Å; F29-P229 HydrophobicContact CD2-CG 3.84Å; F29-P229 HydrophobicContact CE1-CB 3.88Å; F29-P229 HydrophobicContact CE1-CG 3.93Å; F29-P229 HydrophobicContact CE2-CB 3.86Å; F29-P229 HydrophobicContact CE2-CG 3.92Å; F29-P229 HydrophobicContact CG-CG 3.81Å; F29-P229 HydrophobicContact CZ-CB 3.63Å; F29-P229 HydrophobicContact CZ-CG 3.97Å; F29-R230 HydrophobicContact CE2-CG 3.83Å; F29-R230 HydrophobicContact CZ-CG 4.06Å
30H92.5Very high85.5Confident114 Ų11444.4 Ų44.453%0.52822%0.221SC..THydrogen-bonded Turntrans-61-30.8176.564.1-81.7000112.8N28 H33N28-H30 PolarHBondContact O-N 3.22Å; H30-H33 PolarHBondContact O-CD2 2.99Å; H30-H33 VanDerWaalsContact O-CD2 3.24Å
31C93.8Very high83.4Confident3 Ų345.2 Ų45.22%0.0223%0.229CC..THydrogen-bonded Turntrans-80.8-22.4171.9-59.70000112.7N28 F29 C166 M167 C170N28-C31 WeakPolarHBondContact O-CB 3.33Å; N28-C31 PolarHBondContact O-N 3.04Å; F29-C31 PolarHBondContact O-N 3.25Å; C31-C166 CarbonylContact O-C 3.55Å; C31-C166 WeakPolarHBondContact O-CA 3.48Å; C31-M167 WeakPolarHBondContact O-CB 3.45Å; C31-M167 PolarHBondContact O-N 2.97Å; C31-C170 HydrophobicContact CB-CB 4.17Å; C31-C170 VanDerWaalsContact CB-SG 3.55Å
32F93.4Very high81.2Confident0 Ų048.5 Ų48.50%025%0.249CC..SBendtrans-121.129-169-59.7-68.5000114.1I24 N28 F29 A34 R164 C166 C170 I177 I183I24-F32 HydrophobicContact CB-CD2 4.08Å; I24-F32 HydrophobicContact CB-CE2 4.24Å; I24-F32 HydrophobicContact CG1-CD2 4.26Å; I24-F32 HydrophobicContact CG1-CE2 3.9Å; I24-F32 HydrophobicContact CG1-CZ 4.27Å; I24-F32 HydrophobicContact CG2-CB 3.98Å; I24-F32 HydrophobicContact CG2-CD1 4.21Å; I24-F32 HydrophobicContact CG2-CD2 3.61Å; I24-F32 HydrophobicContact CG2-CE2 4.09Å; I24-F32 HydrophobicContact CG2-CG 3.67Å; I24-F32 WeakPolarHBondContact O-CD2 3.35Å; N28-F32 HydrophobicContact CB-CD2 4.04Å; N28-F32 HydrophobicContact CB-CE2 3.89Å; N28-F32 VanDerWaalsContact O-CD2 3.26Å; N28-F32 WeakPolarHBondContact O-CD2 3.42Å; N28-F32 PolarHBondContact O-N 3Å; F29-F32 CarbonylContact O-C 3.57Å; F29-F32 PolarHBondContact O-N 2.81Å; F32-A34 VanDerWaalsContact C-N 3.33Å; F32-A34 PolarHBondContact O-N 3.27Å; F32-R164 HydrophobicContact CB-CB 4.13Å; F32-R164 HydrophobicContact CB-CG 4.3Å; F32-R164 WeakPolarHBondContact O-CD 3.46Å; F32-C166 HydrophobicContact CD1-CB 4.12Å; F32-C166 HydrophobicContact CE1-CB 3.72Å; F32-C170 WeakPolarHBondContact CE2-SG 2.79Å; F32-C170 WeakPolarHBondContact CZ-SG 3Å; F32-I177 HydrophobicContact CE1-CB 4.45Å; F32-I177 HydrophobicContact CE1-CD1 4.24Å; F32-I177 HydrophobicContact CE1-CG2 4.06Å; F32-I177 HydrophobicContact CZ-CB 4.32Å; F32-I177 HydrophobicContact CZ-CD1 3.85Å; F32-I177 HydrophobicContact CZ-CG2 4.42Å; F32-I183 HydrophobicContact CD1-CD1 3.46Å; F32-I183 VanDerWaalsContact CD1-CD1 3.46Å; F32-I183 HydrophobicContact CE1-CD1 3.28Å; F32-I183 HydrophobicContact CE1-CG1 4.45Å; F32-I183 HydrophobicContact CG-CD1 4.26Å; F32-I183 HydrophobicContact CZ-CD1 3.94Å
33H89.8Confident79.1Confident37 Ų3748.9 Ų48.917%0.17126%0.263CS..  trans-75.7-17.4-171.561.958.5000114.7F29 H30 G59F29-H33 HydrophobicContact CE1-CB 3.94Å; F29-H33 HydrophobicContact CE2-CB 4.2Å; F29-H33 HydrophobicContact CZ-CB 3.72Å; F29-H33 PolarHBondContact O-N 2.84Å; F29-H33 VanDerWaalsContact O-N 3.11Å; H30-H33 PolarHBondContact O-CD2 2.99Å; H30-H33 VanDerWaalsContact O-CD2 3.24Å; H33-G59 PolarHBondContact ND1-N 3.45Å
34A90Very high77.1Confident3 Ų349 Ų493%0.02526%0.263CS..BIsolated β-bridgetrans-89.5158.6-179.600000112F32 N58 R164 K165 M167F32-A34 VanDerWaalsContact C-N 3.33Å; F32-A34 PolarHBondContact O-N 3.27Å; A34-N58 HydrophobicContact CB-CB 3.75Å; A34-R164 CarbonylContact O-C 3.34Å; A34-R164 VanDerWaalsContact O-CA 3.25Å; A34-R164 WeakPolarHBondContact O-CA 3.26Å; A34-K165 HydrophobicContact CB-CB 4.01Å; A34-K165 PolarHBondContact O-N 3.28Å; A34-M167 HydrophobicContact CB-CG 3.93Å; A34-M167 HydrophobicContact CB-SD 3.44Å; A34-M167 WeakPolarHBondContact CB-SD 3.27Å
35R86.6Confident75.1Confident39 Ų3949.9 Ų49.915%0.14727%0.267CS..  trans-108.4157.8174.4-72.3-174.6-177.2-179.6-2.7110.6V161 S163 R230R35-V161 PolarHBondContact NE-O 3.15Å; R35-S163 WeakPolarHBondContact CG-O 3.39Å; R35-R230 VanDerWaalsContact CD-NH2 3.3Å; R35-R230 VanDerWaalsContact CG-NH2 3.35Å; R35-R230 PolarHBondContact NH2-O 3.35Å
36K80.6Confident72.9Confident44 Ų4460 Ų6019%0.19131%0.307CS..  trans-69.3134.8162.7-170.7176.2178-179.60108.9D7 V38 S163 Y182D7-K36 WeakPolarHBondContact OD2-CE 3.4Å; D7-K36 IonicContact OD2-NZ 3.95Å; D7-K36 PolarHBondContact OD2-NZ 2.77Å; K36-V38 PolarHBondContact O-N 2.98Å; K36-S163 WeakPolarHBondContact CB-OG 3.43Å; K36-S163 PolarHBondContact N-OG 3.43Å; K36-Y182 HydrophobicContact CB-CD1 3.58Å; K36-Y182 HydrophobicContact CB-CE1 3.83Å; K36-Y182 HydrophobicContact CB-CG 4.19Å; K36-Y182 HydrophobicContact CD-CD1 4.17Å; K36-Y182 HydrophobicContact CD-CD2 4.17Å; K36-Y182 HydrophobicContact CD-CG 3.92Å; K36-Y182 HydrophobicContact CG-CD1 3.75Å; K36-Y182 HydrophobicContact CG-CD2 4.25Å; K36-Y182 HydrophobicContact CG-CE1 3.84Å; K36-Y182 HydrophobicContact CG-CE2 4.33Å; K36-Y182 HydrophobicContact CG-CG 3.98Å
37V69.6Low70.9Confident69 Ų6962.9 Ų62.942%0.41832%0.317SS..  trans-83.2107.7175.6-1770000107.6A41 V42 L45 V56V37-A41 HydrophobicContact CG1-CB 4.43Å; V37-V42 HydrophobicContact CG1-CG2 4.3Å; V37-L45 HydrophobicContact CG1-CD1 4.07Å; V37-V56 HydrophobicContact CG2-CG1 3.96Å; V37-V56 HydrophobicContact CG2-CG2 4.45Å
38V62.9Low69Low44 Ų4457.6 Ų57.627%0.26730%0.295SS..  trans-82.1143.4176.2-1770000109K36 I40 A41 V42K36-V38 PolarHBondContact O-N 2.98Å; V38-I40 PolarHBondContact O-N 3.1Å; V38-I40 VanDerWaalsContact O-N 3.13Å; V38-A41 VanDerWaalsContact O-CA 3.32Å; V38-A41 WeakPolarHBondContact O-CA 3.4Å; V38-A41 WeakPolarHBondContact O-CB 3.45Å; V38-A41 PolarHBondContact O-N 2.98Å; V38-V42 PolarHBondContact O-N 3.16Å
39I49.2Very low67.3Low143 Ų14363.4 Ų63.473%0.73332%0.319SS*.Hα-helixtrans-57.1-28.2-176.5-67.2169.2000112.9A41 V42 G43I39-A41 PolarHBondContact O-N 2.96Å; I39-V42 WeakPolarHBondContact O-CA 3.34Å; I39-V42 WeakPolarHBondContact O-CB 3.45Å; I39-V42 PolarHBondContact O-N 2.89Å; I39-G43 PolarHBondContact O-N 3.47Å
40I49Very low65.5Low86 Ų8666 Ų6644%0.44134%0.339SS..Hα-helixtrans-60.8-36.5171.4-62.8170.6000111V38 V42 G43 L44V38-I40 PolarHBondContact O-N 3.1Å; V38-I40 VanDerWaalsContact O-N 3.13Å; I40-V42 VanDerWaalsContact C-N 3.25Å; I40-V42 PolarHBondContact O-N 3.17Å; I40-G43 PolarHBondContact O-N 3.09Å; I40-L44 HydrophobicContact CG2-CD1 4.13Å; I40-L44 PolarHBondContact O-N 2.82Å
41A49.7Very low63.9Low25 Ų2570.1 Ų70.121%0.20735%0.349CS..Hα-helixtrans-63.9-31.7169.600000111.1V37 V38 I39 L44 L45V37-A41 HydrophobicContact CG1-CB 4.43Å; V38-A41 VanDerWaalsContact O-CA 3.32Å; V38-A41 WeakPolarHBondContact O-CA 3.4Å; V38-A41 WeakPolarHBondContact O-CB 3.45Å; V38-A41 PolarHBondContact O-N 2.98Å; I39-A41 PolarHBondContact O-N 2.96Å; A41-L44 CarbonylContact O-C 3.5Å; A41-L44 PolarHBondContact O-N 3.14Å; A41-L45 HydrophobicContact CB-CD1 3.93Å; A41-L45 HydrophobicContact CB-CG 4.45Å; A41-L45 WeakPolarHBondContact O-CA 3.37Å; A41-L45 WeakPolarHBondContact O-CB 3.06Å; A41-L45 WeakPolarHBondContact O-CD1 3.37Å; A41-L45 WeakPolarHBondContact O-CG 3.28Å; A41-L45 PolarHBondContact O-N 3.47Å
42V48.5Very low62.6Low69 Ų6977.3 Ų77.342%0.41838%0.376SS..Hα-helixtrans-64.6-40.9179.8-177.70000112.1V37 V38 I39 I40 L45 Y46V37-V42 HydrophobicContact CG1-CG2 4.3Å; V38-V42 PolarHBondContact O-N 3.16Å; I39-V42 WeakPolarHBondContact O-CA 3.34Å; I39-V42 WeakPolarHBondContact O-CB 3.45Å; I39-V42 PolarHBondContact O-N 2.89Å; I40-V42 VanDerWaalsContact C-N 3.25Å; I40-V42 PolarHBondContact O-N 3.17Å; V42-L45 PolarHBondContact O-N 2.92Å; V42-Y46 PolarHBondContact O-N 2.65Å
43G50.3Low61.9Low48 Ų4877.3 Ų77.350%0.49538%0.376SS..Hα-helixtrans-64.8-42.5172.500000112.5I39 I40 Y46I39-G43 PolarHBondContact O-N 3.47Å; I40-G43 PolarHBondContact O-N 3.09Å; G43-Y46 WeakPolarHBondContact O-CB 3.45Å; G43-Y46 PolarHBondContact O-N 3.34Å
44L50.9Low61.5Low33 Ų3375.9 Ų75.917%0.17337%0.37CS..Hα-helixtrans-70-29175.3-71.5165.4000113.5I40 A41 Y46 L88 L91I40-L44 HydrophobicContact CG2-CD1 4.13Å; I40-L44 PolarHBondContact O-N 2.82Å; A41-L44 CarbonylContact O-C 3.5Å; A41-L44 PolarHBondContact O-N 3.14Å; L44-Y46 VanDerWaalsContact C-N 3.31Å; L44-L88 HydrophobicContact CB-CD1 3.66Å; L44-L88 HydrophobicContact CD1-CD1 4.3Å; L44-L88 HydrophobicContact CD2-CD1 4.31Å; L44-L88 HydrophobicContact CG-CD1 4.33Å; L44-L91 HydrophobicContact CD2-CB 3.48Å; L44-L91 VanDerWaalsContact CD2-CB 3.48Å; L44-L91 HydrophobicContact CD2-CD1 3.28Å; L44-L91 HydrophobicContact CD2-CG 3.96Å
45L50.9Low61Low17 Ų1778.6 Ų78.69%0.08938%0.381CS..Hα-helixtrans-76.8-17.1178.3-76159.6000111.8V37 A41 V42 F47 S48 P50 N53 V56V37-L45 HydrophobicContact CG1-CD1 4.07Å; A41-L45 HydrophobicContact CB-CD1 3.93Å; A41-L45 HydrophobicContact CB-CG 4.45Å; A41-L45 WeakPolarHBondContact O-CA 3.37Å; A41-L45 WeakPolarHBondContact O-CB 3.06Å; A41-L45 WeakPolarHBondContact O-CD1 3.37Å; A41-L45 WeakPolarHBondContact O-CG 3.28Å; A41-L45 PolarHBondContact O-N 3.47Å; V42-L45 PolarHBondContact O-N 2.92Å; L45-F47 PolarHBondContact O-N 2.9Å; L45-S48 CarbonylContact O-C 3.3Å; L45-S48 VanDerWaalsContact O-C 3.3Å; L45-S48 PolarHBondContact O-N 3.26Å; L45-P50 HydrophobicContact CD2-CB 4.21Å; L45-N53 HydrophobicContact CD2-CB 3.6Å; L45-N53 WeakPolarHBondContact CD2-ND2 3.46Å; L45-V56 HydrophobicContact CD1-CG2 3.76Å; L45-V56 HydrophobicContact CD2-CG2 3.71Å; L45-V56 HydrophobicContact CG-CG2 4.26Å
46Y49.9Very low60.8Low213 Ų21378.5 Ų78.584%0.83538%0.384SS*.THydrogen-bonded Turntrans-60-28.4174.6-121.9-93.8000111.8V42 G43 L44 S48V42-Y46 PolarHBondContact O-N 2.65Å; G43-Y46 WeakPolarHBondContact O-CB 3.45Å; G43-Y46 PolarHBondContact O-N 3.34Å; L44-Y46 VanDerWaalsContact C-N 3.31Å; Y46-S48 VanDerWaalsContact C-N 3.33Å; Y46-S48 PolarHBondContact O-N 2.83Å
47F52.2Low61Low147 Ų14777 Ų7765%0.64538%0.379SS*.THydrogen-bonded Turntrans-81.1-5.5174.9-63.8-75.6000114.2L45 T87L45-F47 PolarHBondContact O-N 2.9Å; F47-T87 HydrophobicContact CB-CG2 4.4Å; F47-T87 HydrophobicContact CG-CG2 4.35Å
48S52.7Low61.8Low14 Ų1476.8 Ų76.810%0.09838%0.375CS..SBendtrans-152.3116-174-76.50000112.1L45 Y46 A84L45-S48 CarbonylContact O-C 3.3Å; L45-S48 VanDerWaalsContact O-C 3.3Å; L45-S48 PolarHBondContact O-N 3.26Å; Y46-S48 VanDerWaalsContact C-N 3.33Å; Y46-S48 PolarHBondContact O-N 2.83Å; S48-A84 PolarHBondContact OG-O 3.29Å
49K57.1Low63Low160 Ų16075.5 Ų75.570%0.69637%0.371SS*.  trans-39.9120.4176.2-73.5-168.7178.4-174.70110R51 R52K49-R51 PolarHBondContact O-N 3.28Å; K49-R52 PolarHBondContact O-N 2.89Å
50P55.9Low64.9Low79 Ų7975.6 Ų75.651%0.51337%0.373SS..G310 helixtrans-58.1-24.6-162.714.9-29.4000114L45 R52L45-P50 HydrophobicContact CD2-CB 4.21Å; P50-R52 VanDerWaalsContact C-N 3.28Å; P50-R52 PolarHBondContact O-N 3.38Å
51R59.7Low66.7Low200 Ų20077.4 Ų77.476%0.75537%0.374SS*.G310 helixtrans-74.1-6.5175.4-65.7-172.2174.7172.2-0.8114.9K49 V57 R61K49-R51 PolarHBondContact O-N 3.28Å; R51-V57 VanDerWaalsContact O-CG1 3.3Å; R51-V57 WeakPolarHBondContact O-CG1 3.22Å; R51-R61 PolarHBondContact O-NE 3.16Å; R51-R61 PolarHBondContact O-NH1 3.11Å; R51-R61 PolarHBondContact O-NH2 2.85Å
52R66.9Low68.7Low153 Ų15376.7 Ų76.758%0.57737%0.366SS*.G310 helixtrans-108.9-6.3-179.8-65.2-173.2179-173.2-1.8113.6K49 P50 L65 Q85K49-R52 PolarHBondContact O-N 2.89Å; P50-R52 VanDerWaalsContact C-N 3.28Å; P50-R52 PolarHBondContact O-N 3.38Å; R52-L65 VanDerWaalsContact O-CD1 3.3Å; R52-L65 WeakPolarHBondContact O-CD1 3.16Å; R52-Q85 PolarHBondContact O-NE2 2.75Å
53N76.6Confident70.6Confident1 Ų178.9 Ų78.91%0.00537%0.37CS..  trans-84124.2-172.9-178.8-34.4000112.8L45 F55 V56 V57 L88L45-N53 HydrophobicContact CD2-CB 3.6Å; L45-N53 WeakPolarHBondContact CD2-ND2 3.46Å; N53-F55 PolarHBondContact O-N 2.9Å; N53-F55 WeakPolarHBondContact OD1-CB 3.27Å; N53-F55 WeakPolarHBondContact OD1-CD2 3.46Å; N53-F55 PolarHBondContact OD1-N 3.33Å; N53-V56 PolarHBondContact O-N 3.02Å; N53-V56 VanDerWaalsContact O-N 3.07Å; N53-V57 WeakPolarHBondContact O-CG1 3.31Å; N53-V57 VanDerWaalsContact O-CG2 3.32Å; N53-V57 WeakPolarHBondContact O-CG2 3.19Å; N53-V57 PolarHBondContact O-N 2.96Å; N53-L88 WeakPolarHBondContact ND2-CD2 3.5Å; N53-L88 WeakPolarHBondContact OD1-CD2 3.23Å
54M82.9Confident72.5Confident7 Ų784.6 Ų84.63%0.03438%0.376CS..THydrogen-bonded Turntrans-58.3-28.2-179-174.7175.171.600114.7L65 R66 Y89 R230 I233M54-L65 HydrophobicContact CB-CB 4.37Å; M54-L65 HydrophobicContact CG-CB 4.31Å; M54-R66 VanDerWaalsContact SD-CA 3.58Å; M54-R66 HydrophobicContact SD-CB 4.13Å; M54-Y89 HydrophobicContact CE-CE1 3.5Å; M54-Y89 WeakPolarHBondContact CE-OH 3.02Å; M54-Y89 PolarHBondContact SD-OH 3.39Å; M54-R230 PolarHBondContact O-NH1 3.44Å; M54-I233 HydrophobicContact CE-CB 4.25Å; M54-I233 HydrophobicContact CE-CD1 3.83Å; M54-I233 HydrophobicContact CE-CG2 3.62Å; M54-I233 HydrophobicContact SD-CD1 3.94Å
55F79.9Confident74.3Confident59 Ų5984 Ų8426%0.25937%0.373SS..THydrogen-bonded Turntrans-75.6-28.4179.1-64.7-101000112.1N53 L88 Y89 A92 R230N53-F55 PolarHBondContact O-N 2.9Å; N53-F55 WeakPolarHBondContact OD1-CB 3.27Å; N53-F55 WeakPolarHBondContact OD1-CD2 3.46Å; N53-F55 PolarHBondContact OD1-N 3.33Å; F55-L88 HydrophobicContact CD2-CD2 3.22Å; F55-L88 HydrophobicContact CD2-CG 3.93Å; F55-L88 HydrophobicContact CE2-CD2 3.4Å; F55-L88 HydrophobicContact CE2-CG 3.67Å; F55-L88 HydrophobicContact CG-CD2 4.33Å; F55-Y89 AromaticContact CE2-CD1 3.82Å; F55-Y89 HydrophobicContact CE2-CD1 3.82Å; F55-Y89 AromaticContact CE2-CE1 3.78Å; F55-Y89 HydrophobicContact CE2-CE1 3.78Å; F55-Y89 HydrophobicContact CZ-CD1 4.34Å; F55-A92 HydrophobicContact CE1-CB 4.44Å; F55-A92 HydrophobicContact CZ-CB 3.9Å; F55-R230 PolarHBondContact O-NH2 3.43Å
56V81.6Confident76Confident37 Ų3786.2 Ų86.222%0.22438%0.38CS..THydrogen-bonded Turntrans-101.5-36.9-176178.60000112.9V37 L45 N53V37-V56 HydrophobicContact CG2-CG1 3.96Å; V37-V56 HydrophobicContact CG2-CG2 4.45Å; L45-V56 HydrophobicContact CD1-CG2 3.76Å; L45-V56 HydrophobicContact CD2-CG2 3.71Å; L45-V56 HydrophobicContact CG-CG2 4.26Å; N53-V56 PolarHBondContact O-N 3.02Å; N53-V56 VanDerWaalsContact O-N 3.07Å
57V85.2Confident77.9Confident12 Ų1280.3 Ų80.37%0.07337%0.37CS..  trans-61.1156178.5-640000111.1R51 N53 R61 W62 L65R51-V57 VanDerWaalsContact O-CG1 3.3Å; R51-V57 WeakPolarHBondContact O-CG1 3.22Å; N53-V57 WeakPolarHBondContact O-CG1 3.31Å; N53-V57 VanDerWaalsContact O-CG2 3.32Å; N53-V57 WeakPolarHBondContact O-CG2 3.19Å; N53-V57 PolarHBondContact O-N 2.96Å; V57-R61 HydrophobicContact CB-CG 4.29Å; V57-R61 HydrophobicContact CG1-CG 4.24Å; V57-W62 HydrophobicContact CG2-CB 3.83Å; V57-W62 WeakPolarHBondContact O-CB 3.33Å; V57-L65 HydrophobicContact CG1-CD1 4.23Å; V57-L65 HydrophobicContact CG2-CD1 3.66Å
58N86.7Confident79.4Confident65 Ų6574.5 Ų74.535%0.34835%0.346SS..  trans-136.6177.6-175.463.533.8000110.5A34 R61 W62A34-N58 HydrophobicContact CB-CB 3.75Å; N58-R61 PolarHBondContact O-N 2.9Å; N58-W62 PolarHBondContact O-N 2.89Å
59G87.1Confident80.9Confident17 Ų1773.9 Ų73.918%0.17534%0.341CS..Hα-helixtrans56-143.4178.400000114.5H33 R61 W62 K63H33-G59 PolarHBondContact ND1-N 3.45Å; G59-R61 VanDerWaalsContact C-N 3.28Å; G59-R61 PolarHBondContact O-N 3.32Å; G59-W62 PolarHBondContact O-N 3.01Å; G59-K63 PolarHBondContact O-N 3Å
60L89Confident82.2Confident146 Ų14668.5 Ų68.576%0.76433%0.327SS*.Hα-helixtrans-61-34.3-178.8-70.2174.1000113.1K63 R64L60-K63 PolarHBondContact O-N 2.96Å; L60-R64 PolarHBondContact O-N 3.02Å
61R87.7Confident83.3Confident124 Ų12467.3 Ų67.347%0.46832%0.319SS..Hα-helixtrans-65.5-42179.4-171.6175.2-172.3158.75.9111.6R51 V57 N58 G59 R64 L65R51-R61 PolarHBondContact O-NE 3.16Å; R51-R61 PolarHBondContact O-NH1 3.11Å; R51-R61 PolarHBondContact O-NH2 2.85Å; V57-R61 HydrophobicContact CB-CG 4.29Å; V57-R61 HydrophobicContact CG1-CG 4.24Å; N58-R61 PolarHBondContact O-N 2.9Å; G59-R61 VanDerWaalsContact C-N 3.28Å; G59-R61 PolarHBondContact O-N 3.32Å; R61-R64 PolarHBondContact O-N 3.06Å; R61-L65 PolarHBondContact O-N 2.97Å
62W90Very high84.2Confident9 Ų959.2 Ų59.23%0.03429%0.294CS..Hα-helixtrans-61.5-47.2172164.663.3000112.2F29 V57 N58 G59 R64 L65 R66 P229 R230F29-W62 HydrophobicContact CE1-CZ3 4.06Å; F29-W62 HydrophobicContact CZ-CE3 4.47Å; F29-W62 HydrophobicContact CZ-CH2 4.11Å; F29-W62 AromaticContact CZ-CZ3 3.72Å; F29-W62 HydrophobicContact CZ-CZ3 3.72Å; V57-W62 HydrophobicContact CG2-CB 3.83Å; V57-W62 WeakPolarHBondContact O-CB 3.33Å; N58-W62 PolarHBondContact O-N 2.89Å; G59-W62 PolarHBondContact O-N 3.01Å; W62-R64 VanDerWaalsContact C-N 3.28Å; W62-R64 PolarHBondContact O-N 3.19Å; W62-L65 PolarHBondContact O-N 2.96Å; W62-R66 VanDerWaalsContact CZ2-CD 3.45Å; W62-R66 WeakPolarHBondContact O-CB 3.42Å; W62-R66 PolarHBondContact O-N 2.97Å; W62-P229 HydrophobicContact CH2-CB 3.63Å; W62-P229 WeakPolarHBondContact CH2-O 2.95Å; W62-P229 WeakPolarHBondContact CZ2-O 3.15Å; W62-P229 HydrophobicContact CZ3-CB 4.27Å; W62-R230 HydrophobicContact CH2-CG 4.19Å; W62-R230 HydrophobicContact CZ2-CG 3.97Å
63K90.1Very high84.4Confident116 Ų11655 Ų5550%0.50428%0.281SS..Hα-helixtrans-55.3-45.7177.9-70.6-176.6178.6-1790111.3G59 L60 R66 S67G59-K63 PolarHBondContact O-N 3Å; L60-K63 PolarHBondContact O-N 2.96Å; K63-R66 PolarHBondContact O-N 2.71Å; K63-S67 WeakPolarHBondContact O-CB 3.48Å; K63-S67 PolarHBondContact O-N 2.9Å
64R89.9Confident84Confident168 Ų16858 Ų5863%0.63430%0.301SS*.Hα-helixtrans-61.8-50.4176.5-179.4177.2172-178.8-2.4112.3L60 R61 W62 R66 S67 I68L60-R64 PolarHBondContact O-N 3.02Å; R61-R64 PolarHBondContact O-N 3.06Å; W62-R64 VanDerWaalsContact C-N 3.28Å; W62-R64 PolarHBondContact O-N 3.19Å; R64-R66 PolarHBondContact O-N 3.45Å; R64-S67 PolarHBondContact O-N 3.43Å; R64-I68 HydrophobicContact CG-CD1 3.79Å; R64-I68 WeakPolarHBondContact O-CG1 3.31Å; R64-I68 PolarHBondContact O-N 2.81Å
65L87.2Confident82.7Confident19 Ų1964.6 Ų64.610%0.09934%0.342CS..Hα-helixtrans-62.6-41.6179.5-76176.4000111.7R52 M54 V57 R61 W62 S67 I68 S69 E81R52-L65 VanDerWaalsContact O-CD1 3.3Å; R52-L65 WeakPolarHBondContact O-CD1 3.16Å; M54-L65 HydrophobicContact CB-CB 4.37Å; M54-L65 HydrophobicContact CG-CB 4.31Å; V57-L65 HydrophobicContact CG1-CD1 4.23Å; V57-L65 HydrophobicContact CG2-CD1 3.66Å; R61-L65 PolarHBondContact O-N 2.97Å; W62-L65 PolarHBondContact O-N 2.96Å; L65-S67 PolarHBondContact O-N 2.89Å; L65-I68 PolarHBondContact O-N 3Å; L65-S69 VanDerWaalsContact O-CB 3.27Å; L65-S69 WeakPolarHBondContact O-CB 3.41Å; L65-S69 PolarHBondContact O-N 3.12Å; L65-S69 PolarHBondContact O-OG 2.75Å; L65-E81 HydrophobicContact CD2-CB 4.36Å
66R88.5Confident81.9Confident64 Ų6466.3 Ų66.324%0.24236%0.358CS..Hα-helixtrans-60-44.3175-175.7175.8-177.696.3-5.9112.1M54 W62 K63 R64 I68 S69 A70 R231 I233M54-R66 VanDerWaalsContact SD-CA 3.58Å; M54-R66 HydrophobicContact SD-CB 4.13Å; W62-R66 VanDerWaalsContact CZ2-CD 3.45Å; W62-R66 WeakPolarHBondContact O-CB 3.42Å; W62-R66 PolarHBondContact O-N 2.97Å; K63-R66 PolarHBondContact O-N 2.71Å; R64-R66 PolarHBondContact O-N 3.45Å; R66-I68 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.47Å; R66-S69 PolarHBondContact O-N 2.95Å; R66-A70 WeakPolarHBondContact O-CB 3.43Å; R66-A70 PolarHBondContact O-N 3.45Å; R66-R231 VanDerWaalsContact CZ-O 3.31Å; R66-R231 PolarHBondContact NH1-O 3.37Å; R66-R231 PolarHBondContact NH2-O 3.23Å; R66-I233 HydrophobicContact CG-CD1 3.9Å
67S88Confident80.9Confident89 Ų8976 Ų7662%0.62239%0.39SS*.Hα-helixtrans-62.9-39.5177.6172.80000112.4K63 R64 L65 P71K63-S67 WeakPolarHBondContact O-CB 3.48Å; K63-S67 PolarHBondContact O-N 2.9Å; R64-S67 PolarHBondContact O-N 3.43Å; L65-S67 PolarHBondContact O-N 2.89Å; S67-P71 WeakPolarHBondContact O-CD 3.22Å
68I85.1Confident80.2Confident26 Ų2679.8 Ų79.813%0.13341%0.409CS..Hα-helixtrans-72.5-34.9177.8-68.8167.3000111.9R64 L65 R66 P71 K79 E81 V82R64-I68 HydrophobicContact CG-CD1 3.79Å; R64-I68 WeakPolarHBondContact O-CG1 3.31Å; R64-I68 PolarHBondContact O-N 2.81Å; L65-I68 PolarHBondContact O-N 3Å; R66-I68 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.47Å; I68-P71 WeakPolarHBondContact O-CD 3.4Å; I68-K79 HydrophobicContact CG2-CB 4.33Å; I68-K79 HydrophobicContact CG2-CD 4.01Å; I68-E81 HydrophobicContact CG2-CB 4.26Å; I68-V82 HydrophobicContact CG2-CG2 3.71Å; I68-V82 WeakPolarHBondContact O-CG2 3.49Å
69S84Confident79.5Confident0 Ų082.6 Ų82.60%042%0.418CS..Hα-helixtrans-88.3-21.7-176.2-620000114.3L65 R66 P71 A72 Y89L65-S69 VanDerWaalsContact O-CB 3.27Å; L65-S69 WeakPolarHBondContact O-CB 3.41Å; L65-S69 PolarHBondContact O-N 3.12Å; L65-S69 PolarHBondContact O-OG 2.75Å; R66-S69 PolarHBondContact O-N 2.95Å; S69-P71 VanDerWaalsContact C-N 3.32Å; S69-A72 WeakPolarHBondContact O-CB 3.21Å; S69-A72 PolarHBondContact O-N 3.1Å; S69-Y89 WeakPolarHBondContact CB-OH 3.31Å; S69-Y89 PolarHBondContact OG-OH 3.03Å
70A83.6Confident79Confident48 Ų4889.6 Ų89.640%0.39745%0.447SS..G310 helixtrans-55.9-41.6179.700000112.8R66 A72 F73 I233R66-A70 WeakPolarHBondContact O-CB 3.43Å; R66-A70 PolarHBondContact O-N 3.45Å; A70-A72 PolarHBondContact O-N 2.94Å; A70-F73 PolarHBondContact O-N 2.92Å; A70-I233 HydrophobicContact CB-CD1 4.01Å; A70-I233 HydrophobicContact CB-CG1 4.34Å
71P80.1Confident78.2Confident54 Ų5486.3 Ų86.335%0.35143%0.428SS..G310 helixtrans-67.8-14.4175.2-21.234000114.9S67 I68 S69 F73 S74S67-P71 WeakPolarHBondContact O-CD 3.22Å; I68-P71 WeakPolarHBondContact O-CD 3.4Å; S69-P71 VanDerWaalsContact C-N 3.32Å; P71-F73 PolarHBondContact O-N 3.19Å; P71-S74 VanDerWaalsContact CA-OG 3.25Å; P71-S74 WeakPolarHBondContact CA-OG 3.45Å; P71-S74 CarbonylContact O-C 3.47Å; P71-S74 WeakPolarHBondContact O-CA 3.5Å; P71-S74 WeakPolarHBondContact O-CB 3.39Å; P71-S74 PolarHBondContact O-N 3.3Å; P71-S74 PolarHBondContact O-OG 2.9Å
72A77.5Confident77.6Confident29 Ų2980.6 Ų80.624%0.2441%0.406CS..G310 helixtrans-65.1-23.9178.400000112.7S69 A70 L78 V82S69-A72 WeakPolarHBondContact O-CB 3.21Å; S69-A72 PolarHBondContact O-N 3.1Å; A70-A72 PolarHBondContact O-N 2.94Å; A72-L78 HydrophobicContact CB-CD2 3.88Å; A72-V82 HydrophobicContact CB-CG1 3.4Å
73F72.2Confident77Confident65 Ų6584.8 Ų84.829%0.28543%0.428SS..G310 helixtrans-91.615.6173-55.2-80.9000111.6A70 P71 Y89 I233 F237A70-F73 PolarHBondContact O-N 2.92Å; P71-F73 PolarHBondContact O-N 3.19Å; F73-Y89 HydrophobicContact CZ-CD1 4.41Å; F73-Y89 HydrophobicContact CZ-CD2 4.11Å; F73-Y89 AromaticContact CZ-CG 3.98Å; F73-Y89 HydrophobicContact CZ-CG 3.98Å; F73-I233 HydrophobicContact CD2-CG1 4.25Å; F73-I233 HydrophobicContact CD2-CG2 4.2Å; F73-I233 HydrophobicContact CE2-CB 4.39Å; F73-I233 HydrophobicContact CE2-CD1 4.24Å; F73-I233 HydrophobicContact CE2-CG1 4.19Å; F73-I233 HydrophobicContact CE2-CG2 3.45Å; F73-I233 VanDerWaalsContact CE2-CG2 3.45Å; F73-I233 HydrophobicContact CZ-CG2 3.88Å; F73-F237 HydrophobicContact CB-CB 4.45Å; F73-F237 HydrophobicContact CD1-CB 4.31Å; F73-F237 HydrophobicContact CD1-CG 4.39Å
74S67.8Low76.3Confident63 Ų6381.5 Ų81.544%0.44142%0.423SS..THydrogen-bonded Turntrans-134.8177175.977.50000110.2P71 V76P71-S74 VanDerWaalsContact CA-OG 3.25Å; P71-S74 WeakPolarHBondContact CA-OG 3.45Å; P71-S74 CarbonylContact O-C 3.47Å; P71-S74 WeakPolarHBondContact O-CA 3.5Å; P71-S74 WeakPolarHBondContact O-CB 3.39Å; P71-S74 PolarHBondContact O-N 3.3Å; P71-S74 PolarHBondContact O-OG 2.9Å; S74-V76 VanDerWaalsContact C-N 3.33Å; S74-V76 PolarHBondContact O-N 3.24Å
75T55.7Low75.6Confident146 Ų14673.6 Ų73.690%0.89639%0.393SS*.THydrogen-bonded Turntrans-81.553.4-169.144.90000114.9
76V62.5Low75.2Confident96 Ų9674.3 Ų74.358%0.58240%0.399SS*.SBendtrans-139.1148.2-176-173.80000114.5S74 L78S74-V76 VanDerWaalsContact C-N 3.33Å; S74-V76 PolarHBondContact O-N 3.24Å; V76-L78 PolarHBondContact O-N 2.66Å
77R61Low74.5Confident241 Ų24174.1 Ų74.191%0.90941%0.405SS*.  trans-42.3120.8179.5-66.4-178178.6-178.2-0.5113.5K79R77-K79 PolarHBondContact O-N 2.66Å
78L70.5Confident74.1Confident90 Ų9070.2 Ų70.247%0.47138%0.378SS..  trans-71.2121.2178.9-57.4172.8000110.9A72 V76 V82 I83A72-L78 HydrophobicContact CB-CD2 3.88Å; V76-L78 PolarHBondContact O-N 2.66Å; L78-V82 HydrophobicContact CB-CB 4.44Å; L78-V82 HydrophobicContact CB-CG1 4.36Å; L78-V82 HydrophobicContact CD2-CB 4.48Å; L78-V82 HydrophobicContact CD2-CG1 3.6Å; L78-I83 HydrophobicContact CB-CG1 4.03Å
79K73Confident73.9Confident124 Ų12470 Ų7054%0.53938%0.375SS..  trans-72.1159.1171.4-62.2-172.3-177.9177.50110.7I68 R77 E81 V82 I83I68-K79 HydrophobicContact CG2-CB 4.33Å; I68-K79 HydrophobicContact CG2-CD 4.01Å; R77-K79 PolarHBondContact O-N 2.66Å; K79-E81 PolarHBondContact O-N 3.13Å; K79-V82 HydrophobicContact CB-CG2 4.29Å; K79-V82 WeakPolarHBondContact O-CA 3.49Å; K79-V82 WeakPolarHBondContact O-CB 3.29Å; K79-V82 PolarHBondContact O-N 2.82Å; K79-I83 WeakPolarHBondContact O-CG1 3.47Å; K79-I83 PolarHBondContact O-N 3.22Å
80Q74.9Confident73.9Confident165 Ų16575.9 Ų75.977%0.77140%0.404SS*.Hα-helixtrans-55.7-36.4177.1-74.8-178.9-4.100112.8V82 I83 A84Q80-V82 VanDerWaalsContact C-N 3.27Å; Q80-V82 PolarHBondContact O-N 2.96Å; Q80-I83 PolarHBondContact O-N 3.03Å; Q80-A84 WeakPolarHBondContact O-CB 3.2Å; Q80-A84 PolarHBondContact O-N 3.15Å
81E72.3Confident73.7Confident77 Ų7776.8 Ų76.836%0.3640%0.402SS..Hα-helixtrans-63.7-33.4174.4-63.692.3156.500112.6L65 I68 K79 Q85L65-E81 HydrophobicContact CD2-CB 4.36Å; I68-E81 HydrophobicContact CG2-CB 4.26Å; K79-E81 PolarHBondContact O-N 3.13Å; E81-Q85 VanDerWaalsContact O-CG 3.25Å; E81-Q85 WeakPolarHBondContact O-CG 3.4Å
82V76.6Confident73.9Confident3 Ų375.5 Ų75.52%0.01840%0.396CS..Hα-helixtrans-72.7-45.2175.1-1780000110.2I68 A72 L78 K79 Q80 A84 Q85 C86 Y89I68-V82 HydrophobicContact CG2-CG2 3.71Å; I68-V82 WeakPolarHBondContact O-CG2 3.49Å; A72-V82 HydrophobicContact CB-CG1 3.4Å; L78-V82 HydrophobicContact CB-CB 4.44Å; L78-V82 HydrophobicContact CB-CG1 4.36Å; L78-V82 HydrophobicContact CD2-CB 4.48Å; L78-V82 HydrophobicContact CD2-CG1 3.6Å; K79-V82 HydrophobicContact CB-CG2 4.29Å; K79-V82 WeakPolarHBondContact O-CA 3.49Å; K79-V82 WeakPolarHBondContact O-CB 3.29Å; K79-V82 PolarHBondContact O-N 2.82Å; Q80-V82 VanDerWaalsContact C-N 3.27Å; Q80-V82 PolarHBondContact O-N 2.96Å; V82-A84 VanDerWaalsContact C-N 3.25Å; V82-A84 PolarHBondContact O-N 2.9Å; V82-Q85 CarbonylContact O-C 3.44Å; V82-Q85 WeakPolarHBondContact O-CA 3.5Å; V82-Q85 WeakPolarHBondContact O-CB 3.49Å; V82-Q85 PolarHBondContact O-N 2.93Å; V82-C86 PolarHBondContact O-N 2.98Å; V82-C86 PolarHBondContact O-SG 3.41Å; V82-Y89 HydrophobicContact CG1-CE2 4.48Å
83I75.8Confident74.3Confident97 Ų9775.4 Ų75.450%0.49740%0.398SS..Hα-helixtrans-55.6-43.6176.4-65.3168.9000110.6L78 K79 Q80 Q85 C86L78-I83 HydrophobicContact CB-CG1 4.03Å; K79-I83 WeakPolarHBondContact O-CG1 3.47Å; K79-I83 PolarHBondContact O-N 3.22Å; Q80-I83 PolarHBondContact O-N 3.03Å; I83-Q85 PolarHBondContact O-N 2.67Å; I83-Q85 VanDerWaalsContact O-N 3.07Å; I83-C86 VanDerWaalsContact CA-SG 3.59Å; I83-C86 WeakPolarHBondContact O-CB 3.34Å; I83-C86 PolarHBondContact O-N 3.22Å; I83-C86 VanDerWaalsContact O-N 3.15Å
84A75.4Confident75.1Confident48 Ų4880.3 Ų80.340%0.39742%0.415SS..Hα-helixtrans-66-7.1176.100000114.2S48 Q80 V82S48-A84 PolarHBondContact OG-O 3.29Å; Q80-A84 WeakPolarHBondContact O-CB 3.2Å; Q80-A84 PolarHBondContact O-N 3.15Å; V82-A84 VanDerWaalsContact C-N 3.25Å; V82-A84 PolarHBondContact O-N 2.9Å
85Q76.3Confident76.1Confident2 Ų281.6 Ų81.61%0.00942%0.415CS..Hα-helixtrans-115.3-10.2176.6-62-65.9-77.600112.6R52 E81 V82 I83 T87 L88 Y89R52-Q85 PolarHBondContact O-NE2 2.75Å; E81-Q85 VanDerWaalsContact O-CG 3.25Å; E81-Q85 WeakPolarHBondContact O-CG 3.4Å; V82-Q85 CarbonylContact O-C 3.44Å; V82-Q85 WeakPolarHBondContact O-CA 3.5Å; V82-Q85 WeakPolarHBondContact O-CB 3.49Å; V82-Q85 PolarHBondContact O-N 2.93Å; I83-Q85 PolarHBondContact O-N 2.67Å; I83-Q85 VanDerWaalsContact O-N 3.07Å; Q85-T87 PolarHBondContact O-N 3.12Å; Q85-L88 WeakPolarHBondContact O-CB 3.49Å; Q85-L88 PolarHBondContact O-N 3.4Å; Q85-Y89 HydrophobicContact CB-CD2 4.07Å; Q85-Y89 HydrophobicContact CB-CE1 3.98Å; Q85-Y89 HydrophobicContact CB-CE2 3.47Å; Q85-Y89 VanDerWaalsContact CB-CE2 3.47Å; Q85-Y89 HydrophobicContact CG-CE2 4.48Å; Q85-Y89 PolarHBondContact O-N 3.31Å
86C78.6Confident77.8Confident33 Ų3377.1 Ų77.122%0.22339%0.387CS..Hα-helixtrans-55.4-46.1-173.5-770000112.7V82 I83 L88 Y89 M90V82-C86 PolarHBondContact O-N 2.98Å; V82-C86 PolarHBondContact O-SG 3.41Å; I83-C86 VanDerWaalsContact CA-SG 3.59Å; I83-C86 WeakPolarHBondContact O-CB 3.34Å; I83-C86 PolarHBondContact O-N 3.22Å; I83-C86 VanDerWaalsContact O-N 3.15Å; C86-L88 VanDerWaalsContact C-N 3.26Å; C86-L88 PolarHBondContact O-N 3.31Å; C86-Y89 PolarHBondContact O-N 3.24Å; C86-Y89 VanDerWaalsContact O-N 3.12Å; C86-M90 WeakPolarHBondContact O-CG 3.4Å; C86-M90 PolarHBondContact O-N 2.95Å
87T74.7Confident79.3Confident60 Ų6072.8 Ų72.837%0.36836%0.361SS..Hα-helixtrans-55.4-43.4178.3-52.10000112F47 Q85 M90 L91F47-T87 HydrophobicContact CB-CG2 4.4Å; F47-T87 HydrophobicContact CG-CG2 4.35Å; Q85-T87 PolarHBondContact O-N 3.12Å; T87-M90 PolarHBondContact O-N 3.46Å; T87-L91 HydrophobicContact CG2-CD1 4.14Å; T87-L91 WeakPolarHBondContact O-CG 3.42Å; T87-L91 PolarHBondContact O-N 3.38Å
88L77.8Confident81Confident8 Ų863 Ų634%0.04233%0.329CS..Hα-helixtrans-70.1-39.9178.8178.373.6000112.3L44 N53 F55 Q85 C86 M90 L91 A92L44-L88 HydrophobicContact CB-CD1 3.66Å; L44-L88 HydrophobicContact CD1-CD1 4.3Å; L44-L88 HydrophobicContact CD2-CD1 4.31Å; L44-L88 HydrophobicContact CG-CD1 4.33Å; N53-L88 WeakPolarHBondContact ND2-CD2 3.5Å; N53-L88 WeakPolarHBondContact OD1-CD2 3.23Å; F55-L88 HydrophobicContact CD2-CD2 3.22Å; F55-L88 HydrophobicContact CD2-CG 3.93Å; F55-L88 HydrophobicContact CE2-CD2 3.4Å; F55-L88 HydrophobicContact CE2-CG 3.67Å; F55-L88 HydrophobicContact CG-CD2 4.33Å; Q85-L88 WeakPolarHBondContact O-CB 3.49Å; Q85-L88 PolarHBondContact O-N 3.4Å; C86-L88 VanDerWaalsContact C-N 3.26Å; C86-L88 PolarHBondContact O-N 3.31Å; L88-M90 VanDerWaalsContact C-N 3.33Å; L88-L91 PolarHBondContact O-N 3.17Å; L88-A92 VanDerWaalsContact O-CB 3.23Å; L88-A92 WeakPolarHBondContact O-CB 3.28Å; L88-A92 PolarHBondContact O-N 2.94Å
89Y82.7Confident82.2Confident20 Ų2061.8 Ų61.88%0.07832%0.323CS..Hα-helixtrans-64.4-40176.2-62.2-22.6000111.6M54 F55 S69 F73 V82 Q85 C86 G93M54-Y89 HydrophobicContact CE-CE1 3.5Å; M54-Y89 WeakPolarHBondContact CE-OH 3.02Å; M54-Y89 PolarHBondContact SD-OH 3.39Å; F55-Y89 AromaticContact CE2-CD1 3.82Å; F55-Y89 HydrophobicContact CE2-CD1 3.82Å; F55-Y89 AromaticContact CE2-CE1 3.78Å; F55-Y89 HydrophobicContact CE2-CE1 3.78Å; F55-Y89 HydrophobicContact CZ-CD1 4.34Å; S69-Y89 WeakPolarHBondContact CB-OH 3.31Å; S69-Y89 PolarHBondContact OG-OH 3.03Å; F73-Y89 HydrophobicContact CZ-CD1 4.41Å; F73-Y89 HydrophobicContact CZ-CD2 4.11Å; F73-Y89 AromaticContact CZ-CG 3.98Å; F73-Y89 HydrophobicContact CZ-CG 3.98Å; V82-Y89 HydrophobicContact CG1-CE2 4.48Å; Q85-Y89 HydrophobicContact CB-CD2 4.07Å; Q85-Y89 HydrophobicContact CB-CE1 3.98Å; Q85-Y89 HydrophobicContact CB-CE2 3.47Å; Q85-Y89 VanDerWaalsContact CB-CE2 3.47Å; Q85-Y89 HydrophobicContact CG-CE2 4.48Å; Q85-Y89 PolarHBondContact O-N 3.31Å; C86-Y89 PolarHBondContact O-N 3.24Å; C86-Y89 VanDerWaalsContact O-N 3.12Å; Y89-G93 PolarHBondContact O-N 3.25Å
90M81.9Confident83.3Confident125 Ų12556 Ų5662%0.61630%0.299SS*.Hα-helixtrans-61.4-49.5174.3-71.2-172.9-61.600111.2C86 T87 L88 G93 Y94C86-M90 WeakPolarHBondContact O-CG 3.4Å; C86-M90 PolarHBondContact O-N 2.95Å; T87-M90 PolarHBondContact O-N 3.46Å; L88-M90 VanDerWaalsContact C-N 3.33Å; M90-G93 PolarHBondContact O-N 3.36Å; M90-Y94 WeakPolarHBondContact O-CB 3.43Å; M90-Y94 PolarHBondContact O-N 3.29Å
91L80.9Confident84.4Confident66 Ų6649 Ų4935%0.34627%0.267SS..Hα-helixtrans-65.7-45.3-179.1-69.2169.8000112.2L44 T87 L88 G93 Y94 E95L44-L91 HydrophobicContact CD2-CB 3.48Å; L44-L91 VanDerWaalsContact CD2-CB 3.48Å; L44-L91 HydrophobicContact CD2-CD1 3.28Å; L44-L91 HydrophobicContact CD2-CG 3.96Å; T87-L91 HydrophobicContact CG2-CD1 4.14Å; T87-L91 WeakPolarHBondContact O-CG 3.42Å; T87-L91 PolarHBondContact O-N 3.38Å; L88-L91 PolarHBondContact O-N 3.17Å; L91-G93 VanDerWaalsContact C-N 3.35Å; L91-G93 PolarHBondContact O-N 2.85Å; L91-Y94 PolarHBondContact O-N 2.87Å; L91-E95 PolarHBondContact O-N 3.09Å; L91-E95 VanDerWaalsContact O-N 3.13Å
92A83.6Confident85.6Confident28 Ų2848.9 Ų48.923%0.23127%0.274CS..Hα-helixtrans-63.3-40.517800000112.3F55 L88 T96F55-A92 HydrophobicContact CE1-CB 4.44Å; F55-A92 HydrophobicContact CZ-CB 3.9Å; L88-A92 VanDerWaalsContact O-CB 3.23Å; L88-A92 WeakPolarHBondContact O-CB 3.28Å; L88-A92 PolarHBondContact O-N 2.94Å; A92-T96 WeakPolarHBondContact O-CG2 3.01Å; A92-T96 PolarHBondContact O-OG1 3.06Å
93G85.5Confident86.5Confident26 Ų2653 Ų5327%0.26829%0.289SS..Hα-helixtrans-71.9-40.6177.600000112.8Y89 M90 L91 T97Y89-G93 PolarHBondContact O-N 3.25Å; M90-G93 PolarHBondContact O-N 3.36Å; L91-G93 VanDerWaalsContact C-N 3.35Å; L91-G93 PolarHBondContact O-N 2.85Å; G93-T97 WeakPolarHBondContact O-CB 3.34Å; G93-T97 PolarHBondContact O-N 3Å; G93-T97 VanDerWaalsContact O-N 3.12Å; G93-T97 PolarHBondContact O-OG1 3.12Å
94Y89.9Confident87.6Confident168 Ų16848.3 Ų48.366%0.65927%0.266SS*.Hα-helixtrans-64-60.4-178.8175.7-101.1000111.7M90 L91 T96 T97 S98M90-Y94 WeakPolarHBondContact O-CB 3.43Å; M90-Y94 PolarHBondContact O-N 3.29Å; L91-Y94 PolarHBondContact O-N 2.87Å; Y94-T96 VanDerWaalsContact C-N 3.35Å; Y94-T96 PolarHBondContact O-N 3.1Å; Y94-T97 PolarHBondContact O-N 3.41Å; Y94-S98 VanDerWaalsContact O-CB 3.25Å; Y94-S98 WeakPolarHBondContact O-CB 3.19Å; Y94-S98 PolarHBondContact O-N 3.01Å; Y94-S98 PolarHBondContact O-OG 2.75Å
95E87.5Confident88.6Confident91 Ų9148.5 Ų48.543%0.42526%0.259SS..Hα-helixtrans-61.7-42.7-172.1-174.7-178.2179.800111.9L91 S98 N99L91-E95 PolarHBondContact O-N 3.09Å; L91-E95 VanDerWaalsContact O-N 3.13Å; E95-S98 PolarHBondContact O-OG 2.86Å; E95-N99 VanDerWaalsContact O-CB 3.32Å; E95-N99 WeakPolarHBondContact O-CB 3.5Å; E95-N99 PolarHBondContact O-N 3.42Å; E95-N99 PolarHBondContact O-ND2 3.33Å
96T92.4Very high89.6Confident51 Ų5150.2 Ų50.231%0.31327%0.266SS..Hα-helixtrans-70.6-44.5-179.457.10000112A92 Y94 A100 L157A92-T96 WeakPolarHBondContact O-CG2 3.01Å; A92-T96 PolarHBondContact O-OG1 3.06Å; Y94-T96 VanDerWaalsContact C-N 3.35Å; Y94-T96 PolarHBondContact O-N 3.1Å; T96-A100 WeakPolarHBondContact O-CB 3.23Å; T96-A100 PolarHBondContact O-N 3.31Å; T96-L157 WeakPolarHBondContact O-CD1 3.35Å
97T95Very high90.5Very high5 Ų548.7 Ų48.73%0.03126%0.256CS..Hα-helixtrans-73.6-38.3-177.1-49.30000111.7G93 Y94 A100 L101 E241 M242G93-T97 WeakPolarHBondContact O-CB 3.34Å; G93-T97 PolarHBondContact O-N 3Å; G93-T97 VanDerWaalsContact O-N 3.12Å; G93-T97 PolarHBondContact O-OG1 3.12Å; Y94-T97 PolarHBondContact O-N 3.41Å; T97-A100 PolarHBondContact O-N 3.41Å; T97-L101 HydrophobicContact CG2-CD1 4.28Å; T97-L101 WeakPolarHBondContact O-CB 3.46Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3.39Å; T97-E241 HydrophobicContact CG2-CB 4.29Å; T97-E241 HydrophobicContact CG2-CG 4.07Å; T97-M242 HydrophobicContact CG2-CG 3.67Å
98S95.7Very high91.6Very high35 Ų3545.9 Ų45.925%0.24524%0.238CC..Hα-helixtrans-63.2-43.8176.3670000111.5Y94 E95 L101 S102Y94-S98 VanDerWaalsContact O-CB 3.25Å; Y94-S98 WeakPolarHBondContact O-CB 3.19Å; Y94-S98 PolarHBondContact O-N 3.01Å; Y94-S98 PolarHBondContact O-OG 2.75Å; E95-S98 PolarHBondContact O-OG 2.86Å; S98-L101 PolarHBondContact O-N 3.34Å; S98-S102 PolarHBondContact O-N 2.73Å; S98-S102 PolarHBondContact O-OG 3.37Å
99N95.2Very high92.5Very high66 Ų6646.1 Ų46.135%0.35324%0.241SC..Hα-helixtrans-67.9-39.1177.5-72.7-11.1000111.1E95 L101 S102 Y103 L157E95-N99 VanDerWaalsContact O-CB 3.32Å; E95-N99 WeakPolarHBondContact O-CB 3.5Å; E95-N99 PolarHBondContact O-N 3.42Å; E95-N99 PolarHBondContact O-ND2 3.33Å; N99-L101 VanDerWaalsContact C-N 3.32Å; N99-L101 PolarHBondContact O-N 3Å; N99-S102 WeakPolarHBondContact O-CB 3.36Å; N99-S102 PolarHBondContact O-N 3.43Å; N99-Y103 WeakPolarHBondContact O-CD2 3.42Å; N99-Y103 PolarHBondContact O-N 2.92Å; N99-L157 HydrophobicContact CB-CD1 3.57Å; N99-L157 HydrophobicContact CB-CD2 4.29Å
100A97.1Very high93.1Very high3 Ų348.5 Ų48.53%0.02525%0.25CS..Hα-helixtrans-62.1-42.2176.800000111.2T96 T97 Y103 T104 L152 L157 M242T96-A100 WeakPolarHBondContact O-CB 3.23Å; T96-A100 PolarHBondContact O-N 3.31Å; T97-A100 PolarHBondContact O-N 3.41Å; A100-Y103 PolarHBondContact O-N 3.13Å; A100-T104 WeakPolarHBondContact O-CB 3.46Å; A100-T104 PolarHBondContact O-N 3.09Å; A100-T104 PolarHBondContact O-OG1 2.88Å; A100-L152 HydrophobicContact CB-CD2 3.91Å; A100-L157 HydrophobicContact CB-CD1 3.82Å; A100-M242 HydrophobicContact CB-CE 3.5Å; A100-M242 VanDerWaalsContact CB-CE 3.5Å; A100-M242 HydrophobicContact CB-SD 3.82Å
101L97.8Very high93.8Very high18 Ų1844.1 Ų44.19%0.09423%0.228CC..Hα-helixtrans-62.4-43.9173.6-80.5163.7000112.2T97 S98 N99 T104 I105 M242 T245 L246T97-L101 HydrophobicContact CG2-CD1 4.28Å; T97-L101 WeakPolarHBondContact O-CB 3.46Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3.39Å; S98-L101 PolarHBondContact O-N 3.34Å; N99-L101 VanDerWaalsContact C-N 3.32Å; N99-L101 PolarHBondContact O-N 3Å; L101-T104 PolarHBondContact O-N 3.36Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 2.96Å; L101-M242 HydrophobicContact CD2-CB 4.29Å; L101-M242 HydrophobicContact CD2-CG 4.39Å; L101-M242 HydrophobicContact CG-CG 4.14Å; L101-T245 HydrophobicContact CD1-CG2 3.94Å; L101-T245 HydrophobicContact CD2-CG2 3.99Å; L101-L246 HydrophobicContact CD2-CD1 4.16Å; L101-L246 HydrophobicContact CD2-CD2 3.98Å; L101-L246 HydrophobicContact CD2-CG 3.67Å
102S96.7Very high94.5Very high73 Ų7344.3 Ų44.351%0.5123%0.234SC..Hα-helixtrans-59.6-47.4176.9-64.40000112.1S98 N99 T104 I105 Y106S98-S102 PolarHBondContact O-N 2.73Å; S98-S102 PolarHBondContact O-OG 3.37Å; N99-S102 WeakPolarHBondContact O-CB 3.36Å; N99-S102 PolarHBondContact O-N 3.43Å; S102-T104 VanDerWaalsContact C-N 3.33Å; S102-T104 PolarHBondContact O-N 2.9Å; S102-I105 PolarHBondContact O-N 2.83Å; S102-Y106 WeakPolarHBondContact O-CB 3.44Å; S102-Y106 PolarHBondContact O-N 3.12Å
103Y97.1Very high95.2Very high89 Ų8948.5 Ų48.535%0.34925%0.248SC..Hα-helixtrans-65.3-35.8175.4-75.7-64.5000112.4N99 A100 Y106 E107 Y155 L157N99-Y103 WeakPolarHBondContact O-CD2 3.42Å; N99-Y103 PolarHBondContact O-N 2.92Å; A100-Y103 PolarHBondContact O-N 3.13Å; Y103-Y106 WeakPolarHBondContact O-CB 3.32Å; Y103-Y106 PolarHBondContact O-N 3.46Å; Y103-E107 WeakPolarHBondContact O-CG 3.48Å; Y103-E107 PolarHBondContact O-N 3.09Å; Y103-Y155 AromaticContact CD1-CD1 3.71Å; Y103-Y155 HydrophobicContact CD1-CD1 3.71Å; Y103-Y155 AromaticContact CD1-CD2 3.98Å; Y103-Y155 HydrophobicContact CD1-CD2 3.98Å; Y103-Y155 AromaticContact CD1-CE1 3.7Å; Y103-Y155 HydrophobicContact CD1-CE1 3.7Å; Y103-Y155 AromaticContact CD1-CE2 3.96Å; Y103-Y155 HydrophobicContact CD1-CE2 3.96Å; Y103-Y155 AromaticContact CD1-CG 3.85Å; Y103-Y155 HydrophobicContact CD1-CG 3.85Å; Y103-Y155 AromaticContact CD1-CZ 3.83Å; Y103-Y155 HydrophobicContact CD2-CD1 4.37Å; Y103-Y155 HydrophobicContact CD2-CD2 4.5Å; Y103-Y155 HydrophobicContact CD2-CG 4.03Å; Y103-Y155 AromaticContact CE1-CD1 3.78Å; Y103-Y155 HydrophobicContact CE1-CD1 3.78Å; Y103-Y155 AromaticContact CE1-CE1 3.8Å; Y103-Y155 HydrophobicContact CE1-CE1 3.8Å; Y103-Y155 HydrophobicContact CE1-CG 4.32Å; Y103-Y155 HydrophobicContact CE2-CD1 4.44Å; Y103-Y155 HydrophobicContact CE2-CG 4.5Å; Y103-Y155 HydrophobicContact CG-CD1 4.02Å; Y103-Y155 AromaticContact CG-CD2 3.79Å; Y103-Y155 HydrophobicContact CG-CD2 3.79Å; Y103-Y155 HydrophobicContact CG-CE1 4.4Å; Y103-Y155 HydrophobicContact CG-CE2 4.18Å; Y103-Y155 AromaticContact CG-CG 3.7Å; Y103-Y155 HydrophobicContact CG-CG 3.7Å; Y103-L157 HydrophobicContact CD2-CD2 3.94Å; Y103-L157 HydrophobicContact CE2-CD2 3.64Å
104T97.9Very high95.8Very high0 Ų047.7 Ų47.70%024%0.238CC..Hα-helixtrans-63.7-46.6175.8-49.70000110.4A100 L101 S102 Y106 E107 L108 V147 T151 L246A100-T104 WeakPolarHBondContact O-CB 3.46Å; A100-T104 PolarHBondContact O-N 3.09Å; A100-T104 PolarHBondContact O-OG1 2.88Å; L101-T104 PolarHBondContact O-N 3.36Å; S102-T104 VanDerWaalsContact C-N 3.33Å; S102-T104 PolarHBondContact O-N 2.9Å; T104-Y106 VanDerWaalsContact C-N 3.32Å; T104-Y106 PolarHBondContact O-N 3.35Å; T104-E107 PolarHBondContact O-N 3.39Å; T104-L108 HydrophobicContact CG2-CD1 4.03Å; T104-L108 HydrophobicContact CG2-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.36Å; T104-L108 PolarHBondContact O-N 2.77Å; T104-V147 HydrophobicContact CG2-CG1 3.68Å; T104-T151 WeakPolarHBondContact OG1-CG2 3.29Å; T104-L246 HydrophobicContact CG2-CD1 3.68Å; T104-L246 HydrophobicContact CG2-CD2 3.93Å; T104-L246 HydrophobicContact CG2-CG 4.48Å
105I97.3Very high96.2Very high51 Ų5140.1 Ų40.126%0.26221%0.209SC..Hα-helixtrans-62.8-40.5177.6-70.3165.1000111L101 S102 L108 A109 L246 L249 V255L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 2.96Å; S102-I105 PolarHBondContact O-N 2.83Å; I105-L108 PolarHBondContact O-N 3.04Å; I105-A109 WeakPolarHBondContact O-CB 3.34Å; I105-A109 PolarHBondContact O-N 3.42Å; I105-L246 HydrophobicContact CG1-CD2 4.22Å; I105-L249 HydrophobicContact CD1-CD2 3.58Å; I105-L249 HydrophobicContact CG1-CD2 3.96Å; I105-V255 HydrophobicContact CG2-CB 4.25Å; I105-V255 HydrophobicContact CG2-CG1 4.07Å; I105-V255 HydrophobicContact CG2-CG2 4.27Å
106Y96.3Very high96.7Very high39 Ų3939.8 Ų39.815%0.15321%0.207CC..Hα-helixtrans-60.1-49.9175.7174.2-103.3000111.9S102 Y103 T104 L108 A109 R110 L257 T261 E262 V263 L264S102-Y106 WeakPolarHBondContact O-CB 3.44Å; S102-Y106 PolarHBondContact O-N 3.12Å; Y103-Y106 WeakPolarHBondContact O-CB 3.32Å; Y103-Y106 PolarHBondContact O-N 3.46Å; T104-Y106 VanDerWaalsContact C-N 3.32Å; T104-Y106 PolarHBondContact O-N 3.35Å; Y106-L108 PolarHBondContact O-N 3.02Å; Y106-A109 WeakPolarHBondContact O-CB 3.34Å; Y106-A109 PolarHBondContact O-N 3.45Å; Y106-A109 VanDerWaalsContact O-N 3.12Å; Y106-R110 HydrophobicContact CE1-CG 4.36Å; Y106-R110 HydrophobicContact CE2-CG 4.49Å; Y106-R110 VanDerWaalsContact CZ-CD 3.48Å; Y106-R110 PolarHBondContact O-N 3.34Å; Y106-L257 HydrophobicContact CD2-CD2 4.26Å; Y106-L257 HydrophobicContact CE2-CD2 4.23Å; Y106-T261 HydrophobicContact CD2-CG2 4.11Å; Y106-T261 HydrophobicContact CE2-CG2 3.72Å; Y106-E262 PolarHBondContact OH-O 2.79Å; Y106-V263 WeakPolarHBondContact OH-CA 3.39Å; Y106-L264 PolarHBondContact OH-N 2.94Å; Y106-L264 VanDerWaalsContact OH-N 3.09Å
107E97.3Very high97Very high1 Ų142.2 Ų42.21%0.00521%0.213CC..Hα-helixtrans-65.3-37.7179.2-74.9-54133.900112.5Y103 T104 A109 R110 H111 Y155 F204Y103-E107 WeakPolarHBondContact O-CG 3.48Å; Y103-E107 PolarHBondContact O-N 3.09Å; T104-E107 PolarHBondContact O-N 3.39Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.33Å; E107-R110 PolarHBondContact O-N 3.35Å; E107-R110 IonicContact OE1-NH1 2.89Å; E107-R110 PolarHBondContact OE1-NH1 3.33Å; E107-R110 IonicContact OE2-NH1 3.9Å; E107-H111 WeakPolarHBondContact O-CB 3.27Å; E107-H111 PolarHBondContact O-N 3.07Å; E107-H111 PolarHBondContact O-ND1 3.35Å; E107-H111 IonicContact OE2-CE1 3.8Å; E107-H111 PolarHBondContact OE2-CE1 2.77Å; E107-H111 IonicContact OE2-ND1 3.28Å; E107-H111 PolarHBondContact OE2-ND1 3.32Å; E107-Y155 HydrophobicContact CG-CE2 3.85Å; E107-Y155 PolarHBondContact OE1-OH 3.35Å; E107-F204 HydrophobicContact CB-CD1 3.92Å; E107-F204 HydrophobicContact CB-CD2 4.09Å; E107-F204 HydrophobicContact CB-CE1 3.81Å; E107-F204 HydrophobicContact CB-CE2 4.02Å; E107-F204 HydrophobicContact CB-CG 4.05Å; E107-F204 HydrophobicContact CB-CZ 3.87Å; E107-F204 HydrophobicContact CG-CD2 3.99Å; E107-F204 HydrophobicContact CG-CE2 4.24Å; E107-F204 HydrophobicContact CG-CG 4.14Å; E107-F204 WeakPolarHBondContact OE2-CB 3.33Å
108L97.9Very high97.1Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-66-31.6172.8-68.4171.8000113.1T104 I105 Y106 H111 V114 Q115 L118 V147 L246 L250 V255T104-L108 HydrophobicContact CG2-CD1 4.03Å; T104-L108 HydrophobicContact CG2-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.36Å; T104-L108 PolarHBondContact O-N 2.77Å; I105-L108 PolarHBondContact O-N 3.04Å; Y106-L108 PolarHBondContact O-N 3.02Å; L108-H111 CarbonylContact O-C 3.58Å; L108-V114 HydrophobicContact CD2-CG1 3.9Å; L108-Q115 HydrophobicContact CB-CB 4.27Å; L108-Q115 HydrophobicContact CB-CG 4.26Å; L108-Q115 HydrophobicContact CD2-CB 4.25Å; L108-Q115 WeakPolarHBondContact O-CB 3.26Å; L108-Q115 PolarHBondContact O-NE2 3.21Å; L108-L118 HydrophobicContact CD1-CD2 4.05Å; L108-L118 HydrophobicContact CD2-CD2 4.02Å; L108-V147 HydrophobicContact CD2-CG1 4.08Å; L108-V147 HydrophobicContact CG-CG1 4.43Å; L108-L246 HydrophobicContact CD1-CD2 4.42Å; L108-L250 HydrophobicContact CD1-CD1 3.64Å; L108-L250 HydrophobicContact CD1-CD2 4.21Å; L108-L250 HydrophobicContact CD1-CG 4.48Å; L108-V255 HydrophobicContact CB-CG2 4.18Å
109A96.7Very high97.2Very high13 Ų1342.8 Ų42.811%0.10721%0.21CC..Hα-helixtrans-73.6-30.417500000112.2I105 Y106 E107 V255 L257I105-A109 WeakPolarHBondContact O-CB 3.34Å; I105-A109 PolarHBondContact O-N 3.42Å; Y106-A109 WeakPolarHBondContact O-CB 3.34Å; Y106-A109 PolarHBondContact O-N 3.45Å; Y106-A109 VanDerWaalsContact O-N 3.12Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.33Å; A109-V255 HydrophobicContact CB-CB 4.47Å; A109-V255 HydrophobicContact CB-CG2 4.15Å; A109-L257 HydrophobicContact CB-CD2 3.92Å; A109-L257 HydrophobicContact CB-CG 4.23Å
110R94.8Very high97.2Very high70 Ų7042 Ų4226%0.26421%0.21SC..Hα-helixtrans-76.1-28.7173.7-72.8-179.469.4-172.510.9113.8Y106 E107 P112 L257Y106-R110 HydrophobicContact CE1-CG 4.36Å; Y106-R110 HydrophobicContact CE2-CG 4.49Å; Y106-R110 VanDerWaalsContact CZ-CD 3.48Å; Y106-R110 PolarHBondContact O-N 3.34Å; E107-R110 PolarHBondContact O-N 3.35Å; E107-R110 IonicContact OE1-NH1 2.89Å; E107-R110 PolarHBondContact OE1-NH1 3.33Å; E107-R110 IonicContact OE2-NH1 3.9Å; R110-P112 VanDerWaalsContact C-CD 3.49Å; R110-P112 VanDerWaalsContact O-CD 3.3Å; R110-P112 WeakPolarHBondContact O-CD 3.47Å; R110-L257 HydrophobicContact CG-CD1 3.94Å; R110-L257 HydrophobicContact CG-CD2 4.03Å; R110-L257 HydrophobicContact CG-CG 4.4Å
111H97Very high97.2Very high34 Ų3443.5 Ų43.516%0.15722%0.216CC..  trans-120.174.7-175.3-60.694000111.1E107 L108 E113 V114 Q115 F204E107-H111 WeakPolarHBondContact O-CB 3.27Å; E107-H111 PolarHBondContact O-N 3.07Å; E107-H111 PolarHBondContact O-ND1 3.35Å; E107-H111 IonicContact OE2-CE1 3.8Å; E107-H111 PolarHBondContact OE2-CE1 2.77Å; E107-H111 IonicContact OE2-ND1 3.28Å; E107-H111 PolarHBondContact OE2-ND1 3.32Å; L108-H111 CarbonylContact O-C 3.58Å; H111-E113 VanDerWaalsContact CB-OE1 3.31Å; H111-E113 WeakPolarHBondContact CB-OE1 3.23Å; H111-E113 IonicContact CD2-OE1 2.67Å; H111-E113 PolarHBondContact CD2-OE1 2.89Å; H111-E113 IonicContact CG-OE1 3.62Å; H111-E113 PolarHBondContact O-N 3.37Å; H111-E113 VanDerWaalsContact O-N 3.17Å; H111-V114 HydrophobicContact CB-CB 3.9Å; H111-V114 HydrophobicContact CB-CG2 3.84Å; H111-V114 PolarHBondContact O-N 3.19Å; H111-Q115 PolarHBondContact O-N 2.7Å; H111-F204 AromaticContact ND1-CD1 3.69Å
112P96.7Very high97Very high70 Ų7042.6 Ų42.646%0.45521%0.211SC..Hα-helixtrans-55.1-32.7-177.8-25.734.5000114.1R110 Q115 E116R110-P112 VanDerWaalsContact C-CD 3.49Å; R110-P112 VanDerWaalsContact O-CD 3.3Å; R110-P112 WeakPolarHBondContact O-CD 3.47Å; P112-Q115 PolarHBondContact O-N 2.88Å; P112-E116 WeakPolarHBondContact O-CB 3.45Å; P112-E116 PolarHBondContact O-N 2.92Å
113E97.8Very high96.8Very high116 Ų11642 Ų4254%0.54220%0.201SC..Hα-helixtrans-65.3-42.217668.7-66.1158.300112.5H111 E116 K117H111-E113 VanDerWaalsContact CB-OE1 3.31Å; H111-E113 WeakPolarHBondContact CB-OE1 3.23Å; H111-E113 IonicContact CD2-OE1 2.67Å; H111-E113 PolarHBondContact CD2-OE1 2.89Å; H111-E113 IonicContact CG-OE1 3.62Å; H111-E113 PolarHBondContact O-N 3.37Å; H111-E113 VanDerWaalsContact O-N 3.17Å; E113-E116 PolarHBondContact O-N 3.06Å; E113-K117 WeakPolarHBondContact O-CB 3.16Å; E113-K117 PolarHBondContact O-N 3.41Å
114V98.3Very high96.5Very high9 Ų943.9 Ų43.96%0.05522%0.217CC..Hα-helixtrans-65.9-42.4173.5174.50000110L108 H111 E116 K117 L118 Y143 V147 F204 P206L108-V114 HydrophobicContact CD2-CG1 3.9Å; H111-V114 HydrophobicContact CB-CB 3.9Å; H111-V114 HydrophobicContact CB-CG2 3.84Å; H111-V114 PolarHBondContact O-N 3.19Å; V114-E116 PolarHBondContact O-N 2.91Å; V114-K117 PolarHBondContact O-N 3.15Å; V114-L118 WeakPolarHBondContact O-CB 3.37Å; V114-L118 PolarHBondContact O-N 2.86Å; V114-Y143 HydrophobicContact CG1-CE1 4.12Å; V114-V147 HydrophobicContact CG1-CG2 3.98Å; V114-F204 HydrophobicContact CG1-CE1 3.99Å; V114-P206 HydrophobicContact CG1-CG 3.73Å; V114-P206 HydrophobicContact CG2-CG 4.43Å
115Q98.6Very high96.1Very high8 Ų846.6 Ų46.64%0.03723%0.232CC..Hα-helixtrans-61.5-42.8177.1-168.4-172.6155.500112.3L108 H111 P112 L118 R119 L250 K254 V255L108-Q115 HydrophobicContact CB-CB 4.27Å; L108-Q115 HydrophobicContact CB-CG 4.26Å; L108-Q115 HydrophobicContact CD2-CB 4.25Å; L108-Q115 WeakPolarHBondContact O-CB 3.26Å; L108-Q115 PolarHBondContact O-NE2 3.21Å; H111-Q115 PolarHBondContact O-N 2.7Å; P112-Q115 PolarHBondContact O-N 2.88Å; Q115-L118 PolarHBondContact O-N 2.84Å; Q115-R119 WeakPolarHBondContact O-CB 3.43Å; Q115-R119 PolarHBondContact O-N 2.95Å; Q115-L250 HydrophobicContact CG-CD2 4.33Å; Q115-K254 VanDerWaalsContact OE1-CA 3.23Å; Q115-V255 PolarHBondContact NE2-O 3.48Å
116E98Very high95.5Very high84 Ų8444.3 Ų44.339%0.39322%0.22SC..Hα-helixtrans-67.4-41179.1-167.961-151.700111.5P112 E113 V114 R119 S120 K254P112-E116 WeakPolarHBondContact O-CB 3.45Å; P112-E116 PolarHBondContact O-N 2.92Å; E113-E116 PolarHBondContact O-N 3.06Å; V114-E116 PolarHBondContact O-N 2.91Å; E116-R119 PolarHBondContact O-N 3.4Å; E116-S120 WeakPolarHBondContact O-CB 3.39Å; E116-S120 PolarHBondContact O-N 2.9Å; E116-S120 PolarHBondContact O-OG 3.37Å; E116-K254 IonicContact OE1-NZ 3.03Å; E116-K254 WeakPolarHBondContact OE2-CE 2.88Å; E116-K254 IonicContact OE2-NZ 2.68Å; E116-K254 PolarHBondContact OE2-NZ 3.37Å
117K97.9Very high94.3Very high102 Ų10248.7 Ų48.744%0.44325%0.251SS..Hα-helixtrans-62.3-45.7175.3-176.9170.9169.8-175.40111.8E113 V114 S120 E121 Y143 E207E113-K117 WeakPolarHBondContact O-CB 3.16Å; E113-K117 PolarHBondContact O-N 3.41Å; V114-K117 PolarHBondContact O-N 3.15Å; K117-S120 WeakPolarHBondContact O-CB 3.22Å; K117-S120 PolarHBondContact O-N 3.3Å; K117-E121 PolarHBondContact O-N 2.95Å; K117-E121 VanDerWaalsContact O-N 3.15Å; K117-Y143 HydrophobicContact CB-CD1 4.45Å; K117-Y143 HydrophobicContact CB-CE1 3.84Å; K117-Y143 HydrophobicContact CD-CD1 4.44Å; K117-Y143 HydrophobicContact CD-CD2 4.49Å; K117-Y143 HydrophobicContact CD-CE1 3.85Å; K117-Y143 HydrophobicContact CD-CE2 3.93Å; K117-Y143 HydrophobicContact CG-CD1 3.97Å; K117-Y143 HydrophobicContact CG-CE1 3.64Å; K117-Y143 HydrophobicContact CG-CE2 4.48Å; K117-Y143 HydrophobicContact CG-CG 4.5Å; K117-E207 IonicContact NZ-OE1 2.75Å; K117-E207 PolarHBondContact NZ-OE1 3.28Å
118L97.8Very high93.4Very high0 Ų052.6 Ų52.60%027%0.272CS..Hα-helixtrans-64.2-43.6175.2176.458000112.2L108 V114 Q115 S120 E121 I122 Y143 L144 V147 L250L108-L118 HydrophobicContact CD1-CD2 4.05Å; L108-L118 HydrophobicContact CD2-CD2 4.02Å; V114-L118 WeakPolarHBondContact O-CB 3.37Å; V114-L118 PolarHBondContact O-N 2.86Å; Q115-L118 PolarHBondContact O-N 2.84Å; L118-S120 VanDerWaalsContact C-N 3.28Å; L118-S120 PolarHBondContact O-N 3.3Å; L118-E121 PolarHBondContact O-N 2.7Å; L118-I122 HydrophobicContact CD1-CD1 4.01Å; L118-I122 HydrophobicContact CD1-CG1 4.28Å; L118-I122 HydrophobicContact CG-CD1 3.85Å; L118-I122 WeakPolarHBondContact O-CG1 3.32Å; L118-I122 PolarHBondContact O-N 3.16Å; L118-Y143 HydrophobicContact CB-CD1 3.87Å; L118-Y143 HydrophobicContact CB-CE1 4.06Å; L118-Y143 HydrophobicContact CD1-CD1 4.27Å; L118-L144 VanDerWaalsContact CD1-CA 3.5Å; L118-L144 HydrophobicContact CD1-CB 3.68Å; L118-L144 HydrophobicContact CD1-CD1 3.93Å; L118-L144 HydrophobicContact CD1-CG 4.38Å; L118-L144 HydrophobicContact CD2-CD1 4.18Å; L118-V147 HydrophobicContact CD2-CB 4.32Å; L118-V147 HydrophobicContact CD2-CG1 4.05Å; L118-V147 HydrophobicContact CD2-CG2 4.14Å; L118-L250 HydrophobicContact CD2-CD1 3.41Å; L118-L250 VanDerWaalsContact CD2-CD1 3.41Å; L118-L250 HydrophobicContact CG-CD1 4Å
119R96.4Very high92.1Very high52 Ų5260.8 Ų60.820%0.19631%0.31CS..Hα-helixtrans-62.4-38.7177.8-176.1175.3165.796.66.5111.1Q115 E116 I122 M123 L250 R251 Y253Q115-R119 WeakPolarHBondContact O-CB 3.43Å; Q115-R119 PolarHBondContact O-N 2.95Å; E116-R119 PolarHBondContact O-N 3.4Å; R119-I122 PolarHBondContact O-N 3.21Å; R119-M123 HydrophobicContact CG-CE 4.12Å; R119-M123 VanDerWaalsContact CZ-CE 3.48Å; R119-M123 VanDerWaalsContact O-CG 3.3Å; R119-M123 WeakPolarHBondContact O-CG 3.5Å; R119-M123 PolarHBondContact O-N 2.91Å; R119-L250 PolarHBondContact NH1-O 2.94Å; R119-R251 PolarHBondContact NH1-O 3.25Å; R119-R251 PolarHBondContact NH2-O 2.91Å; R119-Y253 PolarHBondContact NH1-O 3Å
120S96.1Very high91.1Very high51 Ų5166.7 Ų66.736%0.35734%0.34SS..Hα-helixtrans-59.4-50174.4-58.10000111.1E116 K117 L118 I122 M123 D124E116-S120 WeakPolarHBondContact O-CB 3.39Å; E116-S120 PolarHBondContact O-N 2.9Å; E116-S120 PolarHBondContact O-OG 3.37Å; K117-S120 WeakPolarHBondContact O-CB 3.22Å; K117-S120 PolarHBondContact O-N 3.3Å; L118-S120 VanDerWaalsContact C-N 3.28Å; L118-S120 PolarHBondContact O-N 3.3Å; S120-I122 VanDerWaalsContact C-N 3.29Å; S120-I122 PolarHBondContact O-N 3.02Å; S120-M123 PolarHBondContact O-N 3.25Å; S120-M123 VanDerWaalsContact O-N 3.12Å; S120-D124 VanDerWaalsContact O-CG 3.25Å; S120-D124 PolarHBondContact O-N 3.31Å
121E96.2Very high90.4Very high33 Ų3367.1 Ų67.115%0.15435%0.345CS..Hα-helixtrans-56.4-42.2175.2-178.2-175.8-116.800112.3K117 L118 D124 N125 M141 V142 Y143 L144K117-E121 PolarHBondContact O-N 2.95Å; K117-E121 VanDerWaalsContact O-N 3.15Å; L118-E121 PolarHBondContact O-N 2.7Å; E121-D124 PolarHBondContact O-N 2.82Å; E121-N125 PolarHBondContact O-N 3.5Å; E121-N125 PolarHBondContact O-ND2 3.15Å; E121-M141 HydrophobicContact CG-CB 4.35Å; E121-M141 HydrophobicContact CG-CG 4.27Å; E121-M141 WeakPolarHBondContact OE2-CB 3.04Å; E121-V142 PolarHBondContact OE1-N 2.92Å; E121-Y143 WeakPolarHBondContact OE1-CB 3.25Å; E121-Y143 PolarHBondContact OE1-N 3.49Å; E121-Y143 WeakPolarHBondContact OE2-CB 3.41Å; E121-Y143 PolarHBondContact OE2-N 2.89Å; E121-L144 PolarHBondContact OE2-N 3.49Å
122I94.5Very high89.7Confident0 Ų073.1 Ų73.10%037%0.371CS..Hα-helixtrans-64.5-39.9179.2-70.1163.5000111.6L118 R119 S120 H126 M141 L250 R251L118-I122 HydrophobicContact CD1-CD1 4.01Å; L118-I122 HydrophobicContact CD1-CG1 4.28Å; L118-I122 HydrophobicContact CG-CD1 3.85Å; L118-I122 WeakPolarHBondContact O-CG1 3.32Å; L118-I122 PolarHBondContact O-N 3.16Å; R119-I122 PolarHBondContact O-N 3.21Å; S120-I122 VanDerWaalsContact C-N 3.29Å; S120-I122 PolarHBondContact O-N 3.02Å; I122-H126 PolarHBondContact O-N 3.47Å; I122-H126 PolarHBondContact O-ND1 3.48Å; I122-M141 HydrophobicContact CG1-SD 4.32Å; I122-L250 HydrophobicContact CD1-CB 3.83Å; I122-L250 HydrophobicContact CD1-CD1 4.03Å; I122-R251 HydrophobicContact CG2-CB 4.06Å; I122-R251 HydrophobicContact CG2-CG 4.48Å
123M92Very high89.1Confident61 Ų6170 Ų7030%0.335%0.35SS..Hα-helixtrans-70.5-42.1178.3-67.1-56.8170.100111.9R119 S120 N125 H126 R251R119-M123 HydrophobicContact CG-CE 4.12Å; R119-M123 VanDerWaalsContact CZ-CE 3.48Å; R119-M123 VanDerWaalsContact O-CG 3.3Å; R119-M123 WeakPolarHBondContact O-CG 3.5Å; R119-M123 PolarHBondContact O-N 2.91Å; S120-M123 PolarHBondContact O-N 3.25Å; S120-M123 VanDerWaalsContact O-N 3.12Å; M123-N125 PolarHBondContact O-N 2.89Å; M123-H126 CarbonylContact O-C 3.57Å; M123-H126 VanDerWaalsContact O-C 3.3Å; M123-H126 PolarHBondContact O-N 2.83Å; M123-R251 HydrophobicContact CE-CB 4.23Å; M123-R251 HydrophobicContact CE-CG 3.73Å; M123-R251 WeakPolarHBondContact CE-O 3.33Å; M123-R251 HydrophobicContact SD-CG 3.95Å
124D91.9Very high88.5Confident128 Ų12866.6 Ų66.668%0.68434%0.339SS*.Hα-helixtrans-62.7-30179.2-67.8-17.7000112.1S120 E121S120-D124 VanDerWaalsContact O-CG 3.25Å; S120-D124 PolarHBondContact O-N 3.31Å; E121-D124 PolarHBondContact O-N 2.82Å
125N89.5Confident87.9Confident56 Ų5672.8 Ų72.830%0.29936%0.362SS..THydrogen-bonded Turntrans-88-5.5176.7-78.5-89.4000114.4E121 M123 M141E121-N125 PolarHBondContact O-N 3.5Å; E121-N125 PolarHBondContact O-ND2 3.15Å; M123-N125 PolarHBondContact O-N 2.89Å; N125-M141 HydrophobicContact CB-CE 3.41Å; N125-M141 VanDerWaalsContact CB-CE 3.41Å; N125-M141 HydrophobicContact CB-CG 4.38Å
126H83.5Confident87.4Confident4 Ų478.7 Ų78.72%0.01939%0.39CS..  trans-142.586.2178.9-55101.5000111.2I122 M123 P133 S137 M141 R251I122-H126 PolarHBondContact O-N 3.47Å; I122-H126 PolarHBondContact O-ND1 3.48Å; M123-H126 CarbonylContact O-C 3.57Å; M123-H126 VanDerWaalsContact O-C 3.3Å; M123-H126 PolarHBondContact O-N 2.83Å; H126-P133 VanDerWaalsContact NE2-CA 3.27Å; H126-P133 WeakPolarHBondContact NE2-CA 3.35Å; H126-P133 WeakPolarHBondContact NE2-CB 3.22Å; H126-S137 PolarHBondContact NE2-OG 3.21Å; H126-M141 WeakPolarHBondContact CE1-CE 3.28Å; H126-R251 PolarHBondContact O-NH2 2.82Å
127T72.1Confident87Confident130 Ų13075.1 Ų75.180%0.79838%0.375SS*.  trans-75.8-28.1-176.554.80000113.4
128D78Confident86.7Confident83 Ų8370.3 Ų70.344%0.44435%0.353SS..SBendtrans-90.4115176.3174.14.3000110.4N130 E131 R251D128-N130 PolarHBondContact O-N 2.94Å; D128-N130 PolarHBondContact OD1-N 2.96Å; D128-E131 HydrophobicContact CB-CB 4.07Å; D128-E131 VanDerWaalsContact O-CB 3.22Å; D128-E131 WeakPolarHBondContact O-CB 3.22Å; D128-E131 PolarHBondContact O-N 3.21Å; D128-R251 PolarHBondContact O-NH1 3.21Å; D128-R251 VanDerWaalsContact O-NH1 3.13Å; D128-R251 PolarHBondContact O-NH2 2.66Å
129E69.9Low86.3Confident173 Ų17374.8 Ų74.881%0.80838%0.375SS*.THydrogen-bonded Turntrans-48.8-27.3178.6-68.2-170164.900114.2R251E129-R251 VanDerWaalsContact CA-NH2 3.29Å; E129-R251 PolarHBondContact O-NH1 3.2Å; E129-R251 VanDerWaalsContact O-NH1 3.15Å
130N75.7Confident86Confident137 Ų13780.9 Ų80.973%0.73340%0.397SS*.THydrogen-bonded Turntrans-89.6-12.6179.2-60.7-61.6000113.8D128 K132D128-N130 PolarHBondContact O-N 2.94Å; D128-N130 PolarHBondContact OD1-N 2.96Å; N130-K132 PolarHBondContact O-N 3.09Å
131E80.3Confident85.9Confident78 Ų7878.5 Ų78.536%0.36438%0.381SS..  trans-65.9115.5179.1-173178.3-173.100110.4D128 R251D128-E131 HydrophobicContact CB-CB 4.07Å; D128-E131 VanDerWaalsContact O-CB 3.22Å; D128-E131 WeakPolarHBondContact O-CB 3.22Å; D128-E131 PolarHBondContact O-N 3.21Å; E131-R251 PolarHBondContact O-NH1 3.39Å
132K81.8Confident85.8Confident161 Ų16180.2 Ų80.270%0.739%0.394SS*.PPolyproline II helixtrans-78.8134.5174.9-65.6-178.6-175.2175.10108.5N130 S134N130-K132 PolarHBondContact O-N 3.09Å; K132-S134 PolarHBondContact O-N 2.59Å
133P84.5Confident85.9Confident5 Ų581.2 Ų81.23%0.03240%0.397CS..PPolyproline II helixtrans-49.8120.4172.8-27.633.3000111.8H126 V138 L244 A247 R248H126-P133 VanDerWaalsContact NE2-CA 3.27Å; H126-P133 WeakPolarHBondContact NE2-CA 3.35Å; H126-P133 WeakPolarHBondContact NE2-CB 3.22Å; P133-V138 HydrophobicContact CB-CG1 3.94Å; P133-L244 HydrophobicContact CB-CD2 4.18Å; P133-L244 VanDerWaalsContact O-CD2 3.28Å; P133-L244 WeakPolarHBondContact O-CD2 3.41Å; P133-A247 HydrophobicContact CB-CB 3.95Å; P133-A247 HydrophobicContact CG-CB 3.82Å; P133-R248 HydrophobicContact CG-CG 3.86Å; P133-R248 PolarHBondContact O-NH2 3.2Å
134S85.6Confident86.2Confident44 Ų4478.3 Ų78.331%0.30838%0.383SS..PPolyproline II helixtrans-91.8165.6178.674.30000110.5K132 E136 S137 V138K132-S134 PolarHBondContact O-N 2.59Å; S134-E136 PolarHBondContact O-N 3.13Å; S134-E136 PolarHBondContact OG-N 2.87Å; S134-S137 PolarHBondContact N-OG 3.24Å; S134-S137 PolarHBondContact O-N 3.49Å; S134-S137 PolarHBondContact O-OG 3.38Å; S134-S137 WeakPolarHBondContact OG-CB 3.39Å; S134-S137 PolarHBondContact OG-N 3.37Å; S134-S137 VanDerWaalsContact OG-N 3.07Å; S134-S137 PolarHBondContact OG-OG 3.02Å; S134-V138 PolarHBondContact O-N 2.69Å
135Y85.9Confident86.4Confident138 Ų13873.5 Ų73.554%0.54136%0.357SS..Hα-helixtrans-52.5-46.5171.5174.9-98.9000111.3V138 Q139 L240Y135-V138 WeakPolarHBondContact O-CG2 3.48Å; Y135-Q139 HydrophobicContact CD1-CG 4.49Å; Y135-Q139 HydrophobicContact CE1-CG 4.15Å; Y135-Q139 HydrophobicContact CE2-CG 4.32Å; Y135-Q139 VanDerWaalsContact O-CG 3.23Å; Y135-Q139 WeakPolarHBondContact O-CG 3.27Å; Y135-Q139 PolarHBondContact O-N 3.4Å; Y135-L240 HydrophobicContact CD2-CD1 3.48Å; Y135-L240 VanDerWaalsContact CD2-CD1 3.48Å; Y135-L240 HydrophobicContact CD2-CD2 3.63Å; Y135-L240 HydrophobicContact CD2-CG 4.18Å; Y135-L240 HydrophobicContact CE2-CD1 4.01Å; Y135-L240 HydrophobicContact CE2-CD2 3.97Å; Y135-L240 HydrophobicContact CG-CD1 4.48Å
136E87.6Confident86.7Confident133 Ų13371 Ų7162%0.62135%0.345SS*.Hα-helixtrans-68-40.2-176.2-67.6151.8-173.200112.5S134 Q139S134-E136 PolarHBondContact O-N 3.13Å; S134-E136 PolarHBondContact OG-N 2.87Å; E136-Q139 PolarHBondContact O-N 3.25Å
137S89.7Confident87.4Confident9 Ų970.9 Ų70.96%0.06334%0.344CS..Hα-helixtrans-60.8-49.7179.764.70000111.7H126 S134 Q139 R140 M141H126-S137 PolarHBondContact NE2-OG 3.21Å; S134-S137 PolarHBondContact N-OG 3.24Å; S134-S137 PolarHBondContact O-N 3.49Å; S134-S137 PolarHBondContact O-OG 3.38Å; S134-S137 WeakPolarHBondContact OG-CB 3.39Å; S134-S137 PolarHBondContact OG-N 3.37Å; S134-S137 VanDerWaalsContact OG-N 3.07Å; S134-S137 PolarHBondContact OG-OG 3.02Å; S137-Q139 VanDerWaalsContact C-N 3.26Å; S137-Q139 PolarHBondContact O-N 3.36Å; S137-R140 PolarHBondContact O-N 2.68Å; S137-R140 VanDerWaalsContact O-N 3.1Å; S137-M141 WeakPolarHBondContact O-CE 3.37Å
138V91.6Very high88.6Confident0 Ų064.7 Ų64.70%031%0.306CS..Hα-helixtrans-73.9-18.2-175.8-590000113.5P133 S134 Y135 R140 M141 L240 K243 L244 A247P133-V138 HydrophobicContact CB-CG1 3.94Å; S134-V138 PolarHBondContact O-N 2.69Å; Y135-V138 WeakPolarHBondContact O-CG2 3.48Å; V138-R140 VanDerWaalsContact C-N 3.25Å; V138-M141 HydrophobicContact CB-SD 4.42Å; V138-M141 HydrophobicContact CG1-CE 4.38Å; V138-M141 HydrophobicContact CG1-SD 4.21Å; V138-L240 HydrophobicContact CG2-CD1 3.88Å; V138-K243 HydrophobicContact CB-CB 3.97Å; V138-K243 HydrophobicContact CB-CD 4.47Å; V138-K243 HydrophobicContact CG2-CB 4.06Å; V138-L244 HydrophobicContact CG1-CD2 3.9Å; V138-L244 HydrophobicContact CG2-CD2 4.06Å; V138-L244 HydrophobicContact CG2-CG 4.29Å; V138-A247 HydrophobicContact CG1-CB 4.02Å
139Q89.4Confident89.5Confident95 Ų9562.8 Ų62.844%0.44429%0.292SS..Hα-helixtrans-71.4-22.4172.2-69.7-64.9-61.600112.3Y135 E136 S137Y135-Q139 HydrophobicContact CD1-CG 4.49Å; Y135-Q139 HydrophobicContact CE1-CG 4.15Å; Y135-Q139 HydrophobicContact CE2-CG 4.32Å; Y135-Q139 VanDerWaalsContact O-CG 3.23Å; Y135-Q139 WeakPolarHBondContact O-CG 3.27Å; Y135-Q139 PolarHBondContact O-N 3.4Å; E136-Q139 PolarHBondContact O-N 3.25Å; S137-Q139 VanDerWaalsContact C-N 3.26Å; S137-Q139 PolarHBondContact O-N 3.36Å
140R90.6Very high90.9Very high179 Ų17954.5 Ų54.568%0.67525%0.254SS*.SBendtrans-87.4-13.3178.8-61.5176.2-172.1172.13.5113.8S137 V138 V142S137-R140 PolarHBondContact O-N 2.68Å; S137-R140 VanDerWaalsContact O-N 3.1Å; V138-R140 VanDerWaalsContact C-N 3.25Å; R140-V142 PolarHBondContact O-N 2.72Å
141M93.7Very high91.9Very high1 Ų148 Ų481%0.00522%0.219CC..  trans-81.694.3-178.7-66.4169-159.300109.8E121 I122 N125 H126 S137 V138 L144 D145E121-M141 HydrophobicContact CG-CB 4.35Å; E121-M141 HydrophobicContact CG-CG 4.27Å; E121-M141 WeakPolarHBondContact OE2-CB 3.04Å; I122-M141 HydrophobicContact CG1-SD 4.32Å; N125-M141 HydrophobicContact CB-CE 3.41Å; N125-M141 VanDerWaalsContact CB-CE 3.41Å; N125-M141 HydrophobicContact CB-CG 4.38Å; H126-M141 WeakPolarHBondContact CE1-CE 3.28Å; S137-M141 WeakPolarHBondContact O-CE 3.37Å; V138-M141 HydrophobicContact CB-SD 4.42Å; V138-M141 HydrophobicContact CG1-CE 4.38Å; V138-M141 HydrophobicContact CG1-SD 4.21Å; M141-L144 HydrophobicContact CB-CB 3.66Å; M141-L144 HydrophobicContact CB-CD2 4.05Å; M141-L144 HydrophobicContact SD-CD2 3.86Å; M141-D145 PolarHBondContact O-N 3.46Å
142V94.3Very high92.7Very high70 Ų7044.9 Ų44.942%0.42421%0.205SC..Hα-helixtrans-72.3-42.5-175.3178.10000110.3E121 R140 D145 C146E121-V142 PolarHBondContact OE1-N 2.92Å; R140-V142 PolarHBondContact O-N 2.72Å; V142-D145 VanDerWaalsContact O-CB 3.31Å; V142-D145 WeakPolarHBondContact O-CB 3.48Å; V142-D145 PolarHBondContact O-N 3.42Å; V142-D145 VanDerWaalsContact O-N 3.12Å; V142-C146 PolarHBondContact O-N 2.93Å; V142-C146 PolarHBondContact O-SG 3.31Å
143Y96.9Very high93.4Very high20 Ų2037.2 Ų37.28%0.07817%0.172CC..Hα-helixtrans-69.7-35.2-179.4-162.7-112.2000111.9V114 K117 L118 E121 D145 C146 V147 P206 E207V114-Y143 HydrophobicContact CG1-CE1 4.12Å; K117-Y143 HydrophobicContact CB-CD1 4.45Å; K117-Y143 HydrophobicContact CB-CE1 3.84Å; K117-Y143 HydrophobicContact CD-CD1 4.44Å; K117-Y143 HydrophobicContact CD-CD2 4.49Å; K117-Y143 HydrophobicContact CD-CE1 3.85Å; K117-Y143 HydrophobicContact CD-CE2 3.93Å; K117-Y143 HydrophobicContact CG-CD1 3.97Å; K117-Y143 HydrophobicContact CG-CE1 3.64Å; K117-Y143 HydrophobicContact CG-CE2 4.48Å; K117-Y143 HydrophobicContact CG-CG 4.5Å; L118-Y143 HydrophobicContact CB-CD1 3.87Å; L118-Y143 HydrophobicContact CB-CE1 4.06Å; L118-Y143 HydrophobicContact CD1-CD1 4.27Å; E121-Y143 WeakPolarHBondContact OE1-CB 3.25Å; E121-Y143 PolarHBondContact OE1-N 3.49Å; E121-Y143 WeakPolarHBondContact OE2-CB 3.41Å; E121-Y143 PolarHBondContact OE2-N 2.89Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.87Å; Y143-C146 HydrophobicContact CD2-CB 4.34Å; Y143-C146 WeakPolarHBondContact O-CB 3.2Å; Y143-C146 PolarHBondContact O-N 2.73Å; Y143-C146 VanDerWaalsContact O-N 3.17Å; Y143-V147 HydrophobicContact CD1-CG2 4.14Å; Y143-V147 HydrophobicContact CE1-CG2 3.94Å; Y143-V147 WeakPolarHBondContact O-CG2 3.27Å; Y143-V147 PolarHBondContact O-N 2.9Å; Y143-P206 HydrophobicContact CE2-CB 3.86Å; Y143-E207 HydrophobicContact CE2-CG 4.48Å; Y143-E207 WeakPolarHBondContact CE2-OE1 3.09Å; Y143-E207 PolarHBondContact OH-OE1 3.48Å
144L97.2Very high94Very high0 Ų037.1 Ų37.10%017%0.171CC..Hα-helixtrans-57.5-40.9168.7-18060.7000112.3L118 E121 M141 I148 K243 L246L118-L144 VanDerWaalsContact CD1-CA 3.5Å; L118-L144 HydrophobicContact CD1-CB 3.68Å; L118-L144 HydrophobicContact CD1-CD1 3.93Å; L118-L144 HydrophobicContact CD1-CG 4.38Å; L118-L144 HydrophobicContact CD2-CD1 4.18Å; E121-L144 PolarHBondContact OE2-N 3.49Å; M141-L144 HydrophobicContact CB-CB 3.66Å; M141-L144 HydrophobicContact CB-CD2 4.05Å; M141-L144 HydrophobicContact SD-CD2 3.86Å; L144-I148 HydrophobicContact CD1-CD1 4.11Å; L144-I148 HydrophobicContact CG-CD1 4.18Å; L144-I148 WeakPolarHBondContact O-CD1 3.48Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 3.43Å; L144-I148 VanDerWaalsContact O-N 3.17Å; L144-K243 HydrophobicContact CD2-CB 3.81Å; L144-K243 HydrophobicContact CD2-CD 4.49Å; L144-K243 HydrophobicContact CD2-CG 3.86Å; L144-K243 HydrophobicContact CG-CB 4.46Å; L144-K243 HydrophobicContact CG-CG 4.04Å; L144-L246 HydrophobicContact CD1-CB 3.87Å; L144-L246 HydrophobicContact CD1-CD1 4.02Å
145D95.9Very high94.5Very high27 Ų2736.3 Ų36.314%0.14416%0.161CC..Hα-helixtrans-64.1-43.8174.6-158.864000111.3M141 V142 Y143 I148 R149 K243M141-D145 PolarHBondContact O-N 3.46Å; V142-D145 VanDerWaalsContact O-CB 3.31Å; V142-D145 WeakPolarHBondContact O-CB 3.48Å; V142-D145 PolarHBondContact O-N 3.42Å; V142-D145 VanDerWaalsContact O-N 3.12Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.87Å; D145-I148 PolarHBondContact O-N 3.05Å; D145-R149 WeakPolarHBondContact O-CB 3.44Å; D145-R149 WeakPolarHBondContact O-CG 3.46Å; D145-R149 PolarHBondContact O-N 3.18Å; D145-R149 IonicContact OD1-NE 2.72Å; D145-R149 IonicContact OD2-CZ 3.91Å; D145-R149 IonicContact OD2-NE 3.42Å; D145-R149 PolarHBondContact OD2-NE 3.13Å; D145-R149 IonicContact OD2-NH2 2.69Å; D145-R149 PolarHBondContact OD2-NH2 3.35Å; D145-K243 WeakPolarHBondContact OD1-CE 3.25Å; D145-K243 IonicContact OD1-NZ 3.48Å; D145-K243 PolarHBondContact OD1-NZ 3.01Å
146C97Very high94.9Very high5 Ų529.8 Ų29.83%0.03414%0.135CC..Hα-helixtrans-58.3-49.4177.3-680000112.1V142 Y143 I148 R149 E150 P206 F209V142-C146 PolarHBondContact O-N 2.93Å; V142-C146 PolarHBondContact O-SG 3.31Å; Y143-C146 HydrophobicContact CD2-CB 4.34Å; Y143-C146 WeakPolarHBondContact O-CB 3.2Å; Y143-C146 PolarHBondContact O-N 2.73Å; Y143-C146 VanDerWaalsContact O-N 3.17Å; C146-I148 PolarHBondContact O-N 2.86Å; C146-R149 PolarHBondContact O-N 2.94Å; C146-E150 WeakPolarHBondContact O-CB 3.32Å; C146-E150 PolarHBondContact O-N 2.99Å; C146-P206 HydrophobicContact CB-CB 4.02Å; C146-P206 VanDerWaalsContact CB-O 3.3Å; C146-P206 WeakPolarHBondContact CB-O 3.41Å; C146-F209 HydrophobicContact CB-CB 4.23Å; C146-F209 VanDerWaalsContact SG-C 3.53Å; C146-F209 PolarHBondContact SG-O 2.85Å
147V98.2Very high95Very high0 Ų024.6 Ų24.60%011%0.112CC..Hα-helixtrans-58-49.3178.2164.50000110.8T104 L108 V114 L118 Y143 R149 E150 T151 F204 P206T104-V147 HydrophobicContact CG2-CG1 3.68Å; L108-V147 HydrophobicContact CD2-CG1 4.08Å; L108-V147 HydrophobicContact CG-CG1 4.43Å; V114-V147 HydrophobicContact CG1-CG2 3.98Å; L118-V147 HydrophobicContact CD2-CB 4.32Å; L118-V147 HydrophobicContact CD2-CG1 4.05Å; L118-V147 HydrophobicContact CD2-CG2 4.14Å; Y143-V147 HydrophobicContact CD1-CG2 4.14Å; Y143-V147 HydrophobicContact CE1-CG2 3.94Å; Y143-V147 WeakPolarHBondContact O-CG2 3.27Å; Y143-V147 PolarHBondContact O-N 2.9Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 3.44Å; V147-E150 PolarHBondContact O-N 3.28Å; V147-T151 PolarHBondContact O-N 2.97Å; V147-T151 PolarHBondContact O-OG1 3Å; V147-T151 VanDerWaalsContact O-OG1 3.06Å; V147-F204 HydrophobicContact CG1-CZ 4.2Å; V147-P206 HydrophobicContact CG2-CB 3.89Å; V147-P206 HydrophobicContact CG2-CG 3.78Å
148I97.8Very high94.8Very high0 Ų025.2 Ų25.20%012%0.118CC..Hα-helixtrans-61.8-42.5179.4-70.5167.8000111.1L144 D145 C146 T151 L152 L239 M242 K243 L246L144-I148 HydrophobicContact CD1-CD1 4.11Å; L144-I148 HydrophobicContact CG-CD1 4.18Å; L144-I148 WeakPolarHBondContact O-CD1 3.48Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 3.43Å; L144-I148 VanDerWaalsContact O-N 3.17Å; D145-I148 PolarHBondContact O-N 3.05Å; C146-I148 PolarHBondContact O-N 2.86Å; I148-T151 PolarHBondContact O-N 2.98Å; I148-L152 HydrophobicContact CG2-CD1 3.95Å; I148-L152 HydrophobicContact CG2-CG 4.46Å; I148-L152 VanDerWaalsContact O-CG 3.29Å; I148-L152 WeakPolarHBondContact O-CG 3.44Å; I148-L152 PolarHBondContact O-N 3.22Å; I148-L239 HydrophobicContact CG2-CD2 3.67Å; I148-M242 HydrophobicContact CB-CE 4.43Å; I148-M242 HydrophobicContact CD1-CB 3.94Å; I148-M242 HydrophobicContact CG1-CB 4.48Å; I148-M242 HydrophobicContact CG1-CE 4.24Å; I148-M242 HydrophobicContact CG2-CE 3.66Å; I148-M242 HydrophobicContact CG2-SD 3.95Å; I148-K243 HydrophobicContact CD1-CB 4.29Å; I148-K243 HydrophobicContact CD1-CG 3.39Å; I148-L246 HydrophobicContact CD1-CD1 3.95Å; I148-L246 HydrophobicContact CG1-CD1 3.71Å
149R96.8Very high94.6Very high43 Ų4325.8 Ų25.816%0.16212%0.121CC..Hα-helixtrans-67.9-39.1-178.4-74.5172.8178.6-129.424.7113.1D145 C146 V147 L152 R153 F209 M214 W222D145-R149 WeakPolarHBondContact O-CB 3.44Å; D145-R149 WeakPolarHBondContact O-CG 3.46Å; D145-R149 PolarHBondContact O-N 3.18Å; D145-R149 IonicContact OD1-NE 2.72Å; D145-R149 IonicContact OD2-CZ 3.91Å; D145-R149 IonicContact OD2-NE 3.42Å; D145-R149 PolarHBondContact OD2-NE 3.13Å; D145-R149 IonicContact OD2-NH2 2.69Å; D145-R149 PolarHBondContact OD2-NH2 3.35Å; C146-R149 PolarHBondContact O-N 2.94Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 3.44Å; R149-L152 CarbonylContact O-C 3.44Å; R149-L152 PolarHBondContact O-N 3.42Å; R149-R153 WeakPolarHBondContact O-CB 3.42Å; R149-R153 PolarHBondContact O-N 2.86Å; R149-F209 HydrophobicContact CB-CB 4.24Å; R149-F209 HydrophobicContact CB-CD1 3.89Å; R149-F209 HydrophobicContact CB-CD2 3.55Å; R149-F209 HydrophobicContact CB-CE1 4.12Å; R149-F209 HydrophobicContact CB-CE2 3.79Å; R149-F209 HydrophobicContact CB-CG 3.6Å; R149-F209 HydrophobicContact CB-CZ 4.08Å; R149-F209 HydrophobicContact CG-CD1 4.46Å; R149-F209 HydrophobicContact CG-CG 4.44Å; R149-M214 PolarHBondContact NH1-SD 3.11Å; R149-W222 HydrophobicContact CB-CZ2 3.95Å; R149-W222 HydrophobicContact CG-CH2 4.13Å; R149-W222 HydrophobicContact CG-CZ2 3.69Å; R149-W222 PolarHBondContact O-NE1 3.33Å; R149-W222 VanDerWaalsContact O-NE1 3.09Å
150E97.7Very high94.1Very high0 Ų026.1 Ų26.10%012%0.119CC..Hα-helixtrans-67.6-40.1175.6-174.169.7169.400111.1C146 V147 L152 R153 L154 E203 F204 I205 R208 F209C146-E150 WeakPolarHBondContact O-CB 3.32Å; C146-E150 PolarHBondContact O-N 2.99Å; V147-E150 PolarHBondContact O-N 3.28Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 3.29Å; E150-R153 WeakPolarHBondContact O-CB 3.25Å; E150-R153 PolarHBondContact O-N 2.88Å; E150-R153 VanDerWaalsContact O-N 3.12Å; E150-R153 IonicContact OE1-CZ 3.65Å; E150-R153 IonicContact OE1-NE 2.7Å; E150-R153 PolarHBondContact OE1-NE 3.35Å; E150-R153 IonicContact OE1-NH2 2.75Å; E150-R153 PolarHBondContact OE1-NH2 3.03Å; E150-R153 IonicContact OE2-CZ 3.51Å; E150-R153 IonicContact OE2-NE 2.68Å; E150-R153 PolarHBondContact OE2-NE 2.96Å; E150-R153 IonicContact OE2-NH2 3.4Å; E150-L154 PolarHBondContact O-N 3.32Å; E150-E203 VanDerWaalsContact OE1-O 3.08Å; E150-F204 HydrophobicContact CB-CD2 4.12Å; E150-F204 HydrophobicContact CB-CE2 3.78Å; E150-F204 HydrophobicContact CG-CD2 3.42Å; E150-F204 VanDerWaalsContact CG-CD2 3.42Å; E150-F204 HydrophobicContact CG-CE2 3.63Å; E150-F204 HydrophobicContact CG-CG 4.23Å; E150-I205 VanDerWaalsContact CD-O 3.28Å; E150-I205 PolarHBondContact OE1-N 2.92Å; E150-R208 IonicContact OE1-NE 3.5Å; E150-R208 PolarHBondContact OE1-NE 2.71Å; E150-F209 HydrophobicContact CB-CD2 4.09Å; E150-F209 HydrophobicContact CB-CE2 4.07Å; E150-F209 WeakPolarHBondContact OE2-CE2 3.39Å
151T97.8Very high93.8Very high1 Ų120 Ų201%0.00610%0.101CC..Hα-helixtrans-60.5-44.9172-57.30000110.8T104 V147 I148 R153 L154 Y155 F204T104-T151 WeakPolarHBondContact OG1-CG2 3.29Å; V147-T151 PolarHBondContact O-N 2.97Å; V147-T151 PolarHBondContact O-OG1 3Å; V147-T151 VanDerWaalsContact O-OG1 3.06Å; I148-T151 PolarHBondContact O-N 2.98Å; T151-R153 VanDerWaalsContact C-N 3.26Å; T151-R153 PolarHBondContact O-N 3.03Å; T151-L154 PolarHBondContact O-N 2.9Å; T151-Y155 HydrophobicContact CG2-CD2 3.81Å; T151-Y155 HydrophobicContact CG2-CE2 4.43Å; T151-Y155 WeakPolarHBondContact O-CB 3.46Å; T151-Y155 VanDerWaalsContact O-CD2 3.26Å; T151-Y155 WeakPolarHBondContact O-CD2 3.44Å; T151-Y155 PolarHBondContact O-N 3.05Å; T151-F204 WeakPolarHBondContact OG1-CE2 3.46Å
152L97.1Very high93.5Very high12 Ų1220 Ų206%0.06310%0.101CC..Hα-helixtrans-70.4-21.3178.2-68.4174.4000113.3A100 I148 R149 E150 Y155 W222 P224 F225 L239A100-L152 HydrophobicContact CB-CD2 3.91Å; I148-L152 HydrophobicContact CG2-CD1 3.95Å; I148-L152 HydrophobicContact CG2-CG 4.46Å; I148-L152 VanDerWaalsContact O-CG 3.29Å; I148-L152 WeakPolarHBondContact O-CG 3.44Å; I148-L152 PolarHBondContact O-N 3.22Å; R149-L152 CarbonylContact O-C 3.44Å; R149-L152 PolarHBondContact O-N 3.42Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 3.29Å; L152-Y155 CarbonylContact O-C 3.54Å; L152-W222 HydrophobicContact CB-CZ2 4.19Å; L152-W222 HydrophobicContact CD1-CZ2 4.31Å; L152-P224 HydrophobicContact CB-CB 3.92Å; L152-P224 HydrophobicContact CB-CG 3.94Å; L152-F225 HydrophobicContact CD1-CE2 3.6Å; L152-F225 HydrophobicContact CD1-CZ 3.72Å; L152-L239 HydrophobicContact CD1-CD2 4.11Å
153R97.1Very high93.4Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-69.9-55.4171.5-172.9-170.765.279-4.1109.7R149 E150 T151 Y155 P156 H191 W197 A201 E203 F209R149-R153 WeakPolarHBondContact O-CB 3.42Å; R149-R153 PolarHBondContact O-N 2.86Å; E150-R153 WeakPolarHBondContact O-CB 3.25Å; E150-R153 PolarHBondContact O-N 2.88Å; E150-R153 VanDerWaalsContact O-N 3.12Å; E150-R153 IonicContact OE1-CZ 3.65Å; E150-R153 IonicContact OE1-NE 2.7Å; E150-R153 PolarHBondContact OE1-NE 3.35Å; E150-R153 IonicContact OE1-NH2 2.75Å; E150-R153 PolarHBondContact OE1-NH2 3.03Å; E150-R153 IonicContact OE2-CZ 3.51Å; E150-R153 IonicContact OE2-NE 2.68Å; E150-R153 PolarHBondContact OE2-NE 2.96Å; E150-R153 IonicContact OE2-NH2 3.4Å; T151-R153 VanDerWaalsContact C-N 3.26Å; T151-R153 PolarHBondContact O-N 3.03Å; R153-Y155 VanDerWaalsContact C-N 3.33Å; R153-Y155 PolarHBondContact O-N 3.12Å; R153-P156 WeakPolarHBondContact O-CD 3.49Å; R153-H191 WeakPolarHBondContact CA-ND1 3.5Å; R153-H191 HydrophobicContact CG-CB 3.98Å; R153-H191 PolarHBondContact NH1-O 2.83Å; R153-H191 VanDerWaalsContact O-CB 3.27Å; R153-H191 WeakPolarHBondContact O-CB 3.17Å; R153-H191 PolarHBondContact O-ND1 3.44Å; R153-W197 VanDerWaalsContact CD-CE3 3.48Å; R153-W197 VanDerWaalsContact CD-CZ3 3.5Å; R153-W197 HydrophobicContact CG-CH2 4.19Å; R153-W197 HydrophobicContact CG-CZ2 3.96Å; R153-A201 VanDerWaalsContact CZ-O 3.29Å; R153-A201 PolarHBondContact NH1-O 3.01Å; R153-A201 PolarHBondContact NH2-O 3.49Å; R153-E203 PolarHBondContact NH2-O 3.35Å; R153-F209 HydrophobicContact CB-CE2 4.32Å; R153-F209 HydrophobicContact CB-CZ 4.25Å
154L96.7Very high93.2Very high3 Ų316 Ų162%0.0168%0.079CC..Hα-helixtrans-65.2-36179-68.2-179.4000112.3E150 T151 P156 W188 Y192 F204E150-L154 PolarHBondContact O-N 3.32Å; T151-L154 PolarHBondContact O-N 2.9Å; L154-P156 VanDerWaalsContact C-CD 3.45Å; L154-P156 VanDerWaalsContact O-CD 3.23Å; L154-P156 WeakPolarHBondContact O-CD 3.08Å; L154-W188 WeakPolarHBondContact O-CZ3 3.44Å; L154-Y192 WeakPolarHBondContact CA-OH 3.49Å; L154-Y192 HydrophobicContact CD2-CE1 3.66Å; L154-Y192 HydrophobicContact CD2-CE2 4.48Å; L154-Y192 WeakPolarHBondContact CD2-OH 3.28Å; L154-Y192 WeakPolarHBondContact O-CE2 3.5Å; L154-Y192 PolarHBondContact O-OH 3.44Å; L154-F204 HydrophobicContact CD1-CB 3.85Å; L154-F204 HydrophobicContact CD1-CD2 3.77Å; L154-F204 HydrophobicContact CD1-CG 4.31Å
155Y96.1Very high93Very high27 Ų2719 Ų1911%0.1069%0.092CC..  trans-120.275.3-177.1-49.8-73.6000111.1Y103 E107 T151 L152 R153 L157Y103-Y155 AromaticContact CD1-CD1 3.71Å; Y103-Y155 HydrophobicContact CD1-CD1 3.71Å; Y103-Y155 AromaticContact CD1-CD2 3.98Å; Y103-Y155 HydrophobicContact CD1-CD2 3.98Å; Y103-Y155 AromaticContact CD1-CE1 3.7Å; Y103-Y155 HydrophobicContact CD1-CE1 3.7Å; Y103-Y155 AromaticContact CD1-CE2 3.96Å; Y103-Y155 HydrophobicContact CD1-CE2 3.96Å; Y103-Y155 AromaticContact CD1-CG 3.85Å; Y103-Y155 HydrophobicContact CD1-CG 3.85Å; Y103-Y155 AromaticContact CD1-CZ 3.83Å; Y103-Y155 HydrophobicContact CD2-CD1 4.37Å; Y103-Y155 HydrophobicContact CD2-CD2 4.5Å; Y103-Y155 HydrophobicContact CD2-CG 4.03Å; Y103-Y155 AromaticContact CE1-CD1 3.78Å; Y103-Y155 HydrophobicContact CE1-CD1 3.78Å; Y103-Y155 AromaticContact CE1-CE1 3.8Å; Y103-Y155 HydrophobicContact CE1-CE1 3.8Å; Y103-Y155 HydrophobicContact CE1-CG 4.32Å; Y103-Y155 HydrophobicContact CE2-CD1 4.44Å; Y103-Y155 HydrophobicContact CE2-CG 4.5Å; Y103-Y155 HydrophobicContact CG-CD1 4.02Å; Y103-Y155 AromaticContact CG-CD2 3.79Å; Y103-Y155 HydrophobicContact CG-CD2 3.79Å; Y103-Y155 HydrophobicContact CG-CE1 4.4Å; Y103-Y155 HydrophobicContact CG-CE2 4.18Å; Y103-Y155 AromaticContact CG-CG 3.7Å; Y103-Y155 HydrophobicContact CG-CG 3.7Å; E107-Y155 HydrophobicContact CG-CE2 3.85Å; E107-Y155 PolarHBondContact OE1-OH 3.35Å; T151-Y155 HydrophobicContact CG2-CD2 3.81Å; T151-Y155 HydrophobicContact CG2-CE2 4.43Å; T151-Y155 WeakPolarHBondContact O-CB 3.46Å; T151-Y155 VanDerWaalsContact O-CD2 3.26Å; T151-Y155 WeakPolarHBondContact O-CD2 3.44Å; T151-Y155 PolarHBondContact O-N 3.05Å; L152-Y155 CarbonylContact O-C 3.54Å; R153-Y155 VanDerWaalsContact C-N 3.33Å; R153-Y155 PolarHBondContact O-N 3.12Å; Y155-L157 WeakPolarHBondContact O-CG 3.25Å; Y155-L157 PolarHBondContact O-N 3.02Å
156P93.4Very high92.9Very high0 Ų017.8 Ų17.80%09%0.085CC..  trans-75.776.2177.231.8-34.9000111R153 L154 A158 S159 V187 W188R153-P156 WeakPolarHBondContact O-CD 3.49Å; L154-P156 VanDerWaalsContact C-CD 3.45Å; L154-P156 VanDerWaalsContact O-CD 3.23Å; L154-P156 WeakPolarHBondContact O-CD 3.08Å; P156-A158 PolarHBondContact O-N 3.29Å; P156-S159 VanDerWaalsContact O-CB 3.25Å; P156-S159 WeakPolarHBondContact O-CB 3.32Å; P156-S159 PolarHBondContact O-N 3.16Å; P156-S159 PolarHBondContact O-OG 3.45Å; P156-V187 HydrophobicContact CB-CB 4.45Å; P156-V187 HydrophobicContact CB-CG1 3.61Å; P156-V187 HydrophobicContact CG-CG1 4.07Å; P156-W188 HydrophobicContact CG-CD2 3.67Å; P156-W188 HydrophobicContact CG-CE3 4.01Å; P156-W188 HydrophobicContact CG-CG 4.1Å; P156-W188 HydrophobicContact CG-CH2 4.35Å; P156-W188 HydrophobicContact CG-CZ2 4.03Å; P156-W188 HydrophobicContact CG-CZ3 4.34Å
157L90.8Very high92.7Very high25 Ų2520 Ų2013%0.13110%0.096CC..THydrogen-bonded Turntrans-59-15.2-173.7-59.4176.1000114.9T96 N99 A100 Y103 Y155 W160T96-L157 WeakPolarHBondContact O-CD1 3.35Å; N99-L157 HydrophobicContact CB-CD1 3.57Å; N99-L157 HydrophobicContact CB-CD2 4.29Å; A100-L157 HydrophobicContact CB-CD1 3.82Å; Y103-L157 HydrophobicContact CD2-CD2 3.94Å; Y103-L157 HydrophobicContact CE2-CD2 3.64Å; Y155-L157 WeakPolarHBondContact O-CG 3.25Å; Y155-L157 PolarHBondContact O-N 3.02Å; L157-W160 WeakPolarHBondContact O-CH2 3.23Å; L157-W160 VanDerWaalsContact O-CZ2 3.32Å; L157-W160 WeakPolarHBondContact O-CZ2 3.27Å; L157-W160 WeakPolarHBondContact O-CZ3 3.45Å
158A85.5Confident92.5Very high22 Ų2225.4 Ų25.418%0.18212%0.121CC..THydrogen-bonded Turntrans-113.415.5179.700000112.3P156 W160 V161P156-A158 PolarHBondContact O-N 3.29Å; A158-W160 VanDerWaalsContact C-N 3.27Å; A158-W160 PolarHBondContact O-N 2.74Å; A158-V161 HydrophobicContact CB-CG2 3.84Å; A158-V161 WeakPolarHBondContact O-CG2 3.34Å; A158-V161 PolarHBondContact O-N 2.95Å
159S85.8Confident92.4Very high11 Ų1129 Ų298%0.07714%0.143CC..G310 helixtrans-50.5-42.3-177.3470000113.4P156 V161 V162 W188P156-S159 VanDerWaalsContact O-CB 3.25Å; P156-S159 WeakPolarHBondContact O-CB 3.32Å; P156-S159 PolarHBondContact O-N 3.16Å; P156-S159 PolarHBondContact O-OG 3.45Å; S159-V161 VanDerWaalsContact C-N 3.31Å; S159-V161 PolarHBondContact O-N 3.19Å; S159-V162 WeakPolarHBondContact O-CB 3.12Å; S159-V162 WeakPolarHBondContact O-CG2 3.25Å; S159-V162 PolarHBondContact O-N 3.49Å; S159-W188 PolarHBondContact OG-NE1 3.4Å; S159-W188 VanDerWaalsContact OG-NE1 3.12Å
160W79.3Confident92.2Very high102 Ų10227.8 Ų27.839%0.38614%0.141SC..G310 helixtrans-67.1-24.7-179.460.787.2000114.6L157 A158 V162L157-W160 WeakPolarHBondContact O-CH2 3.23Å; L157-W160 VanDerWaalsContact O-CZ2 3.32Å; L157-W160 WeakPolarHBondContact O-CZ2 3.27Å; L157-W160 WeakPolarHBondContact O-CZ3 3.45Å; A158-W160 VanDerWaalsContact C-N 3.27Å; A158-W160 PolarHBondContact O-N 2.74Å; W160-V162 VanDerWaalsContact C-N 3.29Å; W160-V162 PolarHBondContact O-N 2.96Å
161V83.9Confident91.9Very high50 Ų5032 Ų3230%0.30317%0.167SC..G310 helixtrans-83.3-4.7179.4-58.10000113.5R35 A158 S159 S163R35-V161 PolarHBondContact NE-O 3.15Å; A158-V161 HydrophobicContact CB-CG2 3.84Å; A158-V161 WeakPolarHBondContact O-CG2 3.34Å; A158-V161 PolarHBondContact O-N 2.95Å; S159-V161 VanDerWaalsContact C-N 3.31Å; S159-V161 PolarHBondContact O-N 3.19Å; V161-S163 PolarHBondContact O-N 3.04Å
162V88.9Confident91.4Very high3 Ų332.2 Ų32.22%0.01817%0.168CC..G310 helixtrans-76.7-8.4179.3-169.40000112F25 S159 W160 R164 V185 V187F25-V162 HydrophobicContact CE1-CG1 3.72Å; F25-V162 HydrophobicContact CZ-CG1 3.9Å; F25-V162 WeakPolarHBondContact CZ-O 3.33Å; S159-V162 WeakPolarHBondContact O-CB 3.12Å; S159-V162 WeakPolarHBondContact O-CG2 3.25Å; S159-V162 PolarHBondContact O-N 3.49Å; W160-V162 VanDerWaalsContact C-N 3.29Å; W160-V162 PolarHBondContact O-N 2.96Å; V162-R164 PolarHBondContact O-NH1 2.85Å; V162-V185 HydrophobicContact CB-CB 4.24Å; V162-V185 HydrophobicContact CG1-CB 3.89Å; V162-V185 HydrophobicContact CG1-CG1 4.27Å; V162-V185 HydrophobicContact CG1-CG2 3.87Å; V162-V187 HydrophobicContact CB-CG2 4.24Å; V162-V187 HydrophobicContact CG1-CG2 4.45Å; V162-V187 HydrophobicContact CG2-CG2 4Å
163S91.3Very high90.6Very high2 Ų234.3 Ų34.31%0.01419%0.192CC..  trans-53.6156.5178.262.50000115.1R35 K36 V161 I183R35-S163 WeakPolarHBondContact CG-O 3.39Å; K36-S163 WeakPolarHBondContact CB-OG 3.43Å; K36-S163 PolarHBondContact N-OG 3.43Å; V161-S163 PolarHBondContact O-N 3.04Å; S163-I183 CarbonylContact C-O 3.59Å; S163-I183 WeakPolarHBondContact CA-O 3.46Å; S163-I183 VanDerWaalsContact CB-O 3.22Å; S163-I183 WeakPolarHBondContact CB-O 3.36Å
164R92.8Very high90Very high2 Ų237.9 Ų37.91%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-129161.7172.3-60.3-59.2-173.6-97.9-7.3111.8I24 F25 F32 A34 V162 Y182 I183 A227I24-R164 HydrophobicContact CG2-CG 4.47Å; F25-R164 VanDerWaalsContact CE1-CZ 3.42Å; F25-R164 HydrophobicContact CE2-CG 3.89Å; F25-R164 HydrophobicContact CZ-CG 3.93Å; F32-R164 HydrophobicContact CB-CB 4.13Å; F32-R164 HydrophobicContact CB-CG 4.3Å; F32-R164 WeakPolarHBondContact O-CD 3.46Å; A34-R164 CarbonylContact O-C 3.34Å; A34-R164 VanDerWaalsContact O-CA 3.25Å; A34-R164 WeakPolarHBondContact O-CA 3.26Å; V162-R164 PolarHBondContact O-NH1 2.85Å; R164-Y182 CarbonylContact O-C 3.6Å; R164-Y182 WeakPolarHBondContact O-CA 3.47Å; R164-I183 HydrophobicContact CB-CB 4.19Å; R164-I183 PolarHBondContact N-O 2.87Å; R164-I183 PolarHBondContact O-N 2.83Å; R164-A227 PolarHBondContact NH2-O 3.01Å
165K92.8Very high89.6Confident65 Ų6540 Ų4028%0.28324%0.24SC..EExtended strand (participates in β ladder)trans-119.3131.9166.9-175.6-176.9179.7177.30108.4A34 M167 Y182A34-K165 HydrophobicContact CB-CB 4.01Å; A34-K165 PolarHBondContact O-N 3.28Å; K165-M167 HydrophobicContact CB-SD 4.47Å; K165-M167 HydrophobicContact CD-SD 4.06Å; K165-M167 HydrophobicContact CG-SD 4.24Å; K165-M167 PolarHBondContact O-N 2.97Å; K165-Y182 HydrophobicContact CB-CD1 3.73Å; K165-Y182 HydrophobicContact CB-CE1 3.71Å; K165-Y182 HydrophobicContact CD-CD1 4.46Å; K165-Y182 HydrophobicContact CD-CE1 3.72Å; K165-Y182 HydrophobicContact CG-CD1 3.89Å; K165-Y182 HydrophobicContact CG-CE1 3.65Å
166C93.9Very high89.5Confident0 Ų042 Ų420%026%0.255CS..  trans-69.1121170.2-165.50000109.2C31 F32 Q168 I177 E178 G180 M181C31-C166 CarbonylContact O-C 3.55Å; C31-C166 WeakPolarHBondContact O-CA 3.48Å; F32-C166 HydrophobicContact CD1-CB 4.12Å; F32-C166 HydrophobicContact CE1-CB 3.72Å; C166-Q168 PolarHBondContact SG-O 2.69Å; C166-I177 HydrophobicContact CB-CG2 3.85Å; C166-I177 PolarHBondContact SG-O 3.48Å; C166-I177 VanDerWaalsContact SG-O 3.35Å; C166-E178 VanDerWaalsContact CB-O 3.24Å; C166-E178 WeakPolarHBondContact CB-O 3.03Å; C166-E178 PolarHBondContact SG-O 3.33Å; C166-G180 PolarHBondContact O-N 3.03Å; C166-M181 HydrophobicContact CB-CB 4.45Å; C166-M181 PolarHBondContact N-O 2.85Å
167M94Very high89.5Confident53 Ų5342 Ų4226%0.26126%0.255SS..SBendtrans-104.5-10.6-177.4-61.2-59.5-50.700112.1C31 A34 K165C31-M167 WeakPolarHBondContact O-CB 3.45Å; C31-M167 PolarHBondContact O-N 2.97Å; A34-M167 HydrophobicContact CB-CG 3.93Å; A34-M167 HydrophobicContact CB-SD 3.44Å; A34-M167 WeakPolarHBondContact CB-SD 3.27Å; K165-M167 HydrophobicContact CB-SD 4.47Å; K165-M167 HydrophobicContact CD-SD 4.06Å; K165-M167 HydrophobicContact CG-SD 4.24Å; K165-M167 PolarHBondContact O-N 2.97Å
168Q93.9Very high89.6Confident113 Ų11346.5 Ų46.553%0.52828%0.276SS..SBendtrans-157.6128.9175.9179.9178.4000107.4C166 C170C166-Q168 PolarHBondContact SG-O 2.69Å; Q168-C170 PolarHBondContact O-N 2.69Å
169T95.1Very high90Very high76 Ų7651.5 Ų51.547%0.46630%0.295SS..  trans-51.5126177.9-61.40000110.4T176 I177 E179T169-T176 HydrophobicContact CG2-CG2 3.73Å; T169-I177 WeakPolarHBondContact CA-O 3.32Å; T169-E179 PolarHBondContact OG1-N 3.36Å
170C92.6Very high90.3Very high17 Ų1752.2 Ų52.212%0.11531%0.305CS..EExtended strand (participates in β ladder)trans-146.4158.9180610000110.9C31 F32 Q168 I177C31-C170 HydrophobicContact CB-CB 4.17Å; C31-C170 VanDerWaalsContact CB-SG 3.55Å; F32-C170 WeakPolarHBondContact CE2-SG 2.79Å; F32-C170 WeakPolarHBondContact CZ-SG 3Å; Q168-C170 PolarHBondContact O-N 2.69Å; C170-I177 PolarHBondContact N-O 3.12Å; C170-I177 VanDerWaalsContact N-O 3.14Å; C170-I177 PolarHBondContact O-N 3.25Å
171T91.7Very high90.9Very high89 Ų8947.8 Ų47.855%0.54629%0.288SS..EExtended strand (participates in β ladder)trans-107.6128.3178.1-56.60000109.1I175T171-I175 WeakPolarHBondContact CA-O 3.28Å
172T86.5Confident91.3Very high4 Ų447.8 Ų47.83%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-146135.2180-163.70000109.2M20 D23 I24 G174 I175 I177M20-T172 HydrophobicContact CE-CG2 3.83Å; M20-T172 HydrophobicContact CG-CG2 4.48Å; D23-T172 WeakPolarHBondContact CB-OG1 3.31Å; I24-T172 HydrophobicContact CD1-CG2 4.16Å; I24-T172 HydrophobicContact CG1-CG2 3.82Å; T172-G174 PolarHBondContact O-N 2.97Å; T172-I175 PolarHBondContact N-O 3Å; T172-I175 PolarHBondContact O-N 3.01Å; T172-I177 HydrophobicContact CG2-CD1 3.51Å; T172-I177 HydrophobicContact CG2-CG1 4.28Å
173G79.6Confident91.5Very high56 Ų5647.6 Ų47.658%0.57728%0.282SS*.THydrogen-bonded Turntrans56.331-17500000114.5I175G173-I175 PolarHBondContact O-N 3.35Å
174G85.5Confident91.6Very high75 Ų7550 Ų5077%0.77330%0.295SS*.THydrogen-bonded Turntrans74.62.3-17600000115.3T172T172-G174 PolarHBondContact O-N 2.97Å
175I88.7Confident91.7Very high47 Ų4750.1 Ų50.124%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-108.7126.8-179.2-60.3169.7000109.4M20 T171 T172 G173 I177M20-I175 HydrophobicContact CE-CB 4.3Å; M20-I175 HydrophobicContact CE-CD1 3.98Å; T171-I175 WeakPolarHBondContact CA-O 3.28Å; T172-I175 PolarHBondContact N-O 3Å; T172-I175 PolarHBondContact O-N 3.01Å; G173-I175 PolarHBondContact O-N 3.35Å; I175-I177 HydrophobicContact CG2-CG1 4.4Å
176T92.8Very high91.8Very high69 Ų6948.8 Ų48.842%0.42329%0.291SS..EExtended strand (participates in β ladder)trans-76.6121.5168.2-54.30000109.6R4 T169R4-T176 PolarHBondContact NH2-O 3.2Å; T169-T176 HydrophobicContact CG2-CG2 3.73Å
177I93.3Very high91.8Very high0 Ų048.8 Ų48.80%029%0.292CS..EExtended strand (participates in β ladder)trans-106.9110.5175.3-53.5180000107.5L13 M20 I24 F32 C166 T169 C170 T172 I175 M181 I183L13-I177 HydrophobicContact CD2-CD1 3.62Å; L13-I177 HydrophobicContact CD2-CG1 4.04Å; M20-I177 HydrophobicContact CE-CD1 4.15Å; I24-I177 HydrophobicContact CD1-CD1 4.39Å; F32-I177 HydrophobicContact CE1-CB 4.45Å; F32-I177 HydrophobicContact CE1-CD1 4.24Å; F32-I177 HydrophobicContact CE1-CG2 4.06Å; F32-I177 HydrophobicContact CZ-CB 4.32Å; F32-I177 HydrophobicContact CZ-CD1 3.85Å; F32-I177 HydrophobicContact CZ-CG2 4.42Å; C166-I177 HydrophobicContact CB-CG2 3.85Å; C166-I177 PolarHBondContact SG-O 3.48Å; C166-I177 VanDerWaalsContact SG-O 3.35Å; T169-I177 WeakPolarHBondContact CA-O 3.32Å; C170-I177 PolarHBondContact N-O 3.12Å; C170-I177 VanDerWaalsContact N-O 3.14Å; C170-I177 PolarHBondContact O-N 3.25Å; T172-I177 HydrophobicContact CG2-CD1 3.51Å; T172-I177 HydrophobicContact CG2-CG1 4.28Å; I175-I177 HydrophobicContact CG2-CG1 4.4Å; I177-M181 HydrophobicContact CG2-CB 3.97Å; I177-M181 HydrophobicContact CG2-SD 4.14Å; I177-I183 HydrophobicContact CD1-CD1 4.01Å
178E93.7Very high91.9Very high121 Ų12151.5 Ų51.557%0.56530%0.299SS*.  trans-70.4148.9-177.6-63.8176.4-174.600111.7C166 G180 M181C166-E178 VanDerWaalsContact CB-O 3.24Å; C166-E178 WeakPolarHBondContact CB-O 3.03Å; C166-E178 PolarHBondContact SG-O 3.33Å; E178-G180 PolarHBondContact O-N 3.18Å; E178-M181 HydrophobicContact CB-CG 4.07Å; E178-M181 HydrophobicContact CB-SD 3.97Å; E178-M181 HydrophobicContact CG-SD 4.46Å; E178-M181 PolarHBondContact N-SD 3.22Å; E178-M181 VanDerWaalsContact N-SD 3.41Å; E178-M181 WeakPolarHBondContact O-CB 3.4Å; E178-M181 WeakPolarHBondContact O-CG 3.34Å; E178-M181 PolarHBondContact O-N 3.3Å
179E94.1Very high91.9Very high126 Ų12648.8 Ų48.859%0.58929%0.292SS*.THydrogen-bonded Turntrans-52.5136.7170.1-176.1179.6167.800110.9T169 M181T169-E179 PolarHBondContact OG1-N 3.36Å; E179-M181 VanDerWaalsContact C-N 3.33Å; E179-M181 PolarHBondContact O-N 3.29Å
180G91.4Very high92Very high27 Ų2745.2 Ų45.228%0.27827%0.27SS..THydrogen-bonded Turntrans94.2-25.5-178.700000114.2C166 E178C166-G180 PolarHBondContact O-N 3.03Å; E178-G180 PolarHBondContact O-N 3.18Å
181M92.8Very high92.2Very high8 Ų844.4 Ų44.44%0.03927%0.265CS..  trans-60.5143.8177.6-68.1-17265.900111.7P11 C166 I177 E178 E179P11-M181 HydrophobicContact CB-CE 4.24Å; P11-M181 HydrophobicContact CG-CG 4.17Å; C166-M181 HydrophobicContact CB-CB 4.45Å; C166-M181 PolarHBondContact N-O 2.85Å; I177-M181 HydrophobicContact CG2-CB 3.97Å; I177-M181 HydrophobicContact CG2-SD 4.14Å; E178-M181 HydrophobicContact CB-CG 4.07Å; E178-M181 HydrophobicContact CB-SD 3.97Å; E178-M181 HydrophobicContact CG-SD 4.46Å; E178-M181 PolarHBondContact N-SD 3.22Å; E178-M181 VanDerWaalsContact N-SD 3.41Å; E178-M181 WeakPolarHBondContact O-CB 3.4Å; E178-M181 WeakPolarHBondContact O-CG 3.34Å; E178-M181 PolarHBondContact O-N 3.3Å; E179-M181 VanDerWaalsContact C-N 3.33Å; E179-M181 PolarHBondContact O-N 3.29Å
182Y92.7Very high92.4Very high50 Ų5043 Ų4320%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-95.6150.3171.6-66.1-66.3000111.4V10 P11 V12 L13 K36 R164 K165V10-Y182 HydrophobicContact CB-CD2 4.43Å; V10-Y182 HydrophobicContact CB-CE2 4.46Å; V10-Y182 HydrophobicContact CG1-CD2 3.56Å; V10-Y182 HydrophobicContact CG1-CE2 3.7Å; P11-Y182 PolarHBondContact O-N 3.13Å; V12-Y182 CarbonylContact C-O 3.58Å; V12-Y182 WeakPolarHBondContact CA-O 3.25Å; L13-Y182 PolarHBondContact N-O 2.82Å; K36-Y182 HydrophobicContact CB-CD1 3.58Å; K36-Y182 HydrophobicContact CB-CE1 3.83Å; K36-Y182 HydrophobicContact CB-CG 4.19Å; K36-Y182 HydrophobicContact CD-CD1 4.17Å; K36-Y182 HydrophobicContact CD-CD2 4.17Å; K36-Y182 HydrophobicContact CD-CG 3.92Å; K36-Y182 HydrophobicContact CG-CD1 3.75Å; K36-Y182 HydrophobicContact CG-CD2 4.25Å; K36-Y182 HydrophobicContact CG-CE1 3.84Å; K36-Y182 HydrophobicContact CG-CE2 4.33Å; K36-Y182 HydrophobicContact CG-CG 3.98Å; R164-Y182 CarbonylContact O-C 3.6Å; R164-Y182 WeakPolarHBondContact O-CA 3.47Å; K165-Y182 HydrophobicContact CB-CD1 3.73Å; K165-Y182 HydrophobicContact CB-CE1 3.71Å; K165-Y182 HydrophobicContact CD-CD1 4.46Å; K165-Y182 HydrophobicContact CD-CE1 3.72Å; K165-Y182 HydrophobicContact CG-CD1 3.89Å; K165-Y182 HydrophobicContact CG-CE1 3.65Å
183I93.2Very high92.8Very high0 Ų045.3 Ų45.30%026%0.262CS..EExtended strand (participates in β ladder)trans-115.5125170.9-61.3170.5000107.3L13 I15 I24 F32 S163 R164 I177L13-I183 CarbonylContact O-C 3.3Å; L13-I183 VanDerWaalsContact O-CA 3.28Å; L13-I183 WeakPolarHBondContact O-CA 3.43Å; I15-I183 HydrophobicContact CD1-CG2 3.53Å; I15-I183 HydrophobicContact CG1-CG2 4.11Å; I24-I183 HydrophobicContact CD1-CD1 3.89Å; I24-I183 HydrophobicContact CG1-CD1 4.23Å; I24-I183 HydrophobicContact CG2-CD1 3.74Å; F32-I183 HydrophobicContact CD1-CD1 3.46Å; F32-I183 VanDerWaalsContact CD1-CD1 3.46Å; F32-I183 HydrophobicContact CE1-CD1 3.28Å; F32-I183 HydrophobicContact CE1-CG1 4.45Å; F32-I183 HydrophobicContact CG-CD1 4.26Å; F32-I183 HydrophobicContact CZ-CD1 3.94Å; S163-I183 CarbonylContact C-O 3.59Å; S163-I183 WeakPolarHBondContact CA-O 3.46Å; S163-I183 VanDerWaalsContact CB-O 3.22Å; S163-I183 WeakPolarHBondContact CB-O 3.36Å; R164-I183 HydrophobicContact CB-CB 4.19Å; R164-I183 PolarHBondContact N-O 2.87Å; R164-I183 PolarHBondContact O-N 2.83Å; I177-I183 HydrophobicContact CD1-CD1 4.01Å
184L93Very high93.6Very high53 Ų5347.5 Ų47.528%0.27726%0.256SS..EExtended strand (participates in β ladder)trans-105.6126.1169.8-176.765.1000108.2V12 L13 V14 I15V12-L184 HydrophobicContact CG1-CB 3.85Å; L13-L184 PolarHBondContact O-N 3.36Å; V14-L184 CarbonylContact C-O 3.56Å; V14-L184 VanDerWaalsContact CA-O 3.31Å; V14-L184 WeakPolarHBondContact CA-O 3.21Å; V14-L184 HydrophobicContact CG2-CB 4.35Å; V14-L184 HydrophobicContact CG2-CD2 4.38Å; I15-L184 PolarHBondContact N-O 3.38Å
185V94.3Very high94Very high3 Ų351.3 Ų51.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-89.6121.3173.6-177.50000108I15 L21 F25 V162 V187 I190 I223I15-V185 WeakPolarHBondContact O-CA 3.46Å; L21-V185 HydrophobicContact CD1-CG1 3.89Å; L21-V185 HydrophobicContact CD2-CB 4.22Å; L21-V185 HydrophobicContact CD2-CG1 3.77Å; L21-V185 HydrophobicContact CD2-CG2 3.48Å; L21-V185 VanDerWaalsContact CD2-CG2 3.48Å; F25-V185 HydrophobicContact CE1-CG2 4.44Å; F25-V185 HydrophobicContact CE2-CG2 3.79Å; F25-V185 HydrophobicContact CZ-CG2 3.42Å; F25-V185 VanDerWaalsContact CZ-CG2 3.42Å; V162-V185 HydrophobicContact CB-CB 4.24Å; V162-V185 HydrophobicContact CG1-CB 3.89Å; V162-V185 HydrophobicContact CG1-CG1 4.27Å; V162-V185 HydrophobicContact CG1-CG2 3.87Å; V185-V187 HydrophobicContact CB-CG2 4.29Å; V185-V187 HydrophobicContact CG1-CG2 3.85Å; V185-V187 PolarHBondContact O-N 2.89Å; V185-I190 HydrophobicContact CG1-CD1 3.88Å; V185-I223 HydrophobicContact CG1-CD1 3.91Å
186D94.1Very high94.3Very high37 Ų3751.1 Ų51.120%0.19826%0.257CS..  trans-83.774.9175.7-171.4-4.5000109.7V14 I15 W188 S189 I190V14-D186 HydrophobicContact CG1-CB 3.91Å; I15-D186 PolarHBondContact O-N 3.06Å; D186-W188 PolarHBondContact O-N 2.68Å; D186-S189 VanDerWaalsContact CG-CB 3.4Å; D186-S189 PolarHBondContact O-N 3.24Å; D186-S189 PolarHBondContact OD1-N 2.98Å; D186-S189 PolarHBondContact OD1-OG 2.9Å; D186-S189 VanDerWaalsContact OD2-CB 3.22Å; D186-S189 WeakPolarHBondContact OD2-CB 3.26Å; D186-S189 PolarHBondContact OD2-OG 2.97Å; D186-I190 WeakPolarHBondContact O-CG1 3.06Å; D186-I190 PolarHBondContact O-N 2.89Å; D186-I190 VanDerWaalsContact O-N 3.16Å
187V95.5Very high94.4Very high1 Ų148.5 Ų48.51%0.00624%0.24CC..Hα-helixtrans-60.2-34.5-179.3-177.90000111.1P156 V162 V185 I190 H191 I223P156-V187 HydrophobicContact CB-CB 4.45Å; P156-V187 HydrophobicContact CB-CG1 3.61Å; P156-V187 HydrophobicContact CG-CG1 4.07Å; V162-V187 HydrophobicContact CB-CG2 4.24Å; V162-V187 HydrophobicContact CG1-CG2 4.45Å; V162-V187 HydrophobicContact CG2-CG2 4Å; V185-V187 HydrophobicContact CB-CG2 4.29Å; V185-V187 HydrophobicContact CG1-CG2 3.85Å; V185-V187 PolarHBondContact O-N 2.89Å; V187-I190 PolarHBondContact O-N 3.01Å; V187-H191 WeakPolarHBondContact O-CB 3.4Å; V187-H191 PolarHBondContact O-CD2 3.35Å; V187-H191 PolarHBondContact O-N 3.37Å; V187-I223 HydrophobicContact CG1-CG1 4.04Å; V187-I223 HydrophobicContact CG2-CD1 4.08Å; V187-I223 HydrophobicContact CG2-CG1 4.26Å
188W94.9Very high94.4Very high110 Ų11049.5 Ų49.542%0.41725%0.25SC..Hα-helixtrans-60.8-54176.5-72.297.9000110.9L154 P156 S159 D186 I190 H191 Y192L154-W188 WeakPolarHBondContact O-CZ3 3.44Å; P156-W188 HydrophobicContact CG-CD2 3.67Å; P156-W188 HydrophobicContact CG-CE3 4.01Å; P156-W188 HydrophobicContact CG-CG 4.1Å; P156-W188 HydrophobicContact CG-CH2 4.35Å; P156-W188 HydrophobicContact CG-CZ2 4.03Å; P156-W188 HydrophobicContact CG-CZ3 4.34Å; S159-W188 PolarHBondContact OG-NE1 3.4Å; S159-W188 VanDerWaalsContact OG-NE1 3.12Å; D186-W188 PolarHBondContact O-N 2.68Å; W188-I190 PolarHBondContact O-N 3.45Å; W188-H191 PolarHBondContact O-N 2.73Å; W188-H191 VanDerWaalsContact O-N 3.15Å; W188-Y192 HydrophobicContact CE3-CD2 4.17Å; W188-Y192 AromaticContact CE3-CE2 3.63Å; W188-Y192 HydrophobicContact CE3-CE2 3.63Å; W188-Y192 AromaticContact CZ3-CE2 3.86Å; W188-Y192 HydrophobicContact CZ3-CE2 3.86Å; W188-Y192 WeakPolarHBondContact O-CD2 3.16Å; W188-Y192 PolarHBondContact O-N 2.81Å
189S95.1Very high94.5Very high56 Ų5649 Ų4939%0.39226%0.257SS..Hα-helixtrans-59.9-32.5177.5-69.50000113.1D186 N193D186-S189 VanDerWaalsContact CG-CB 3.4Å; D186-S189 PolarHBondContact O-N 3.24Å; D186-S189 PolarHBondContact OD1-N 2.98Å; D186-S189 PolarHBondContact OD1-OG 2.9Å; D186-S189 VanDerWaalsContact OD2-CB 3.22Å; D186-S189 WeakPolarHBondContact OD2-CB 3.26Å; D186-S189 PolarHBondContact OD2-OG 2.97Å; S189-N193 VanDerWaalsContact O-CB 3.29Å; S189-N193 WeakPolarHBondContact O-CB 3.19Å; S189-N193 PolarHBondContact O-N 3.44Å; S189-N193 VanDerWaalsContact O-N 3.13Å
190I96.4Very high94.6Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-69-48175.5-64164000111L18 L21 V185 D186 V187 W188 Y192 N193 I196 W197 A221 I223L18-I190 HydrophobicContact CD2-CD1 4.38Å; L18-I190 HydrophobicContact CD2-CG1 4.25Å; L18-I190 HydrophobicContact CD2-CG2 3.8Å; L21-I190 HydrophobicContact CD1-CD1 3.46Å; L21-I190 VanDerWaalsContact CD1-CD1 3.46Å; V185-I190 HydrophobicContact CG1-CD1 3.88Å; D186-I190 WeakPolarHBondContact O-CG1 3.06Å; D186-I190 PolarHBondContact O-N 2.89Å; D186-I190 VanDerWaalsContact O-N 3.16Å; V187-I190 PolarHBondContact O-N 3.01Å; W188-I190 PolarHBondContact O-N 3.45Å; I190-Y192 VanDerWaalsContact C-N 3.27Å; I190-Y192 PolarHBondContact O-N 3.47Å; I190-N193 WeakPolarHBondContact O-CB 3.47Å; I190-N193 PolarHBondContact O-N 2.9Å; I190-I196 HydrophobicContact CG2-CD1 4.18Å; I190-W197 PolarHBondContact O-NE1 2.8Å; I190-W197 VanDerWaalsContact O-NE1 3.09Å; I190-A221 WeakPolarHBondContact CG2-O 3.25Å; I190-I223 HydrophobicContact CD1-CD1 4.03Å
191H96.2Very high94.8Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-71.1-21.9-175.1-77-161.5000113.2R153 V187 W188 W197 A221 I223R153-H191 WeakPolarHBondContact CA-ND1 3.5Å; R153-H191 HydrophobicContact CG-CB 3.98Å; R153-H191 PolarHBondContact NH1-O 2.83Å; R153-H191 VanDerWaalsContact O-CB 3.27Å; R153-H191 WeakPolarHBondContact O-CB 3.17Å; R153-H191 PolarHBondContact O-ND1 3.44Å; V187-H191 WeakPolarHBondContact O-CB 3.4Å; V187-H191 PolarHBondContact O-CD2 3.35Å; V187-H191 PolarHBondContact O-N 3.37Å; W188-H191 PolarHBondContact O-N 2.73Å; W188-H191 VanDerWaalsContact O-N 3.15Å; H191-W197 PolarHBondContact O-NE1 3.38Å; H191-A221 PolarHBondContact CD2-O 3.44Å; H191-A221 VanDerWaalsContact CD2-O 3.25Å; H191-I223 PolarHBondContact NE2-N 3.03Å
192Y96.1Very high94.9Very high61 Ų6147.9 Ų47.924%0.23925%0.249CC..THydrogen-bonded Turntrans-105.56.1175.7-75.5-93.2000113.3L154 W188 I190 K194 D202L154-Y192 WeakPolarHBondContact CA-OH 3.49Å; L154-Y192 HydrophobicContact CD2-CE1 3.66Å; L154-Y192 HydrophobicContact CD2-CE2 4.48Å; L154-Y192 WeakPolarHBondContact CD2-OH 3.28Å; L154-Y192 WeakPolarHBondContact O-CE2 3.5Å; L154-Y192 PolarHBondContact O-OH 3.44Å; W188-Y192 HydrophobicContact CE3-CD2 4.17Å; W188-Y192 AromaticContact CE3-CE2 3.63Å; W188-Y192 HydrophobicContact CE3-CE2 3.63Å; W188-Y192 AromaticContact CZ3-CE2 3.86Å; W188-Y192 HydrophobicContact CZ3-CE2 3.86Å; W188-Y192 WeakPolarHBondContact O-CD2 3.16Å; W188-Y192 PolarHBondContact O-N 2.81Å; I190-Y192 VanDerWaalsContact C-N 3.27Å; I190-Y192 PolarHBondContact O-N 3.47Å; Y192-K194 PolarHBondContact O-N 3.47Å; Y192-K194 VanDerWaalsContact O-N 3.16Å; Y192-D202 VanDerWaalsContact CD1-OD1 3.28Å; Y192-D202 WeakPolarHBondContact CD1-OD1 3.35Å
193N95.9Very high95.1Very high52 Ų5250 Ų5028%0.27826%0.261SS..  trans-68116-179.9-170.7-17.4000110.7S189 I190 D195 I196 W197S189-N193 VanDerWaalsContact O-CB 3.29Å; S189-N193 WeakPolarHBondContact O-CB 3.19Å; S189-N193 PolarHBondContact O-N 3.44Å; S189-N193 VanDerWaalsContact O-N 3.13Å; I190-N193 WeakPolarHBondContact O-CB 3.47Å; I190-N193 PolarHBondContact O-N 2.9Å; N193-D195 VanDerWaalsContact C-N 3.25Å; N193-D195 PolarHBondContact O-N 2.9Å; N193-D195 WeakPolarHBondContact OD1-CB 3.23Å; N193-D195 PolarHBondContact OD1-N 2.85Å; N193-I196 HydrophobicContact CB-CB 4.18Å; N193-I196 HydrophobicContact CB-CD1 3.8Å; N193-I196 HydrophobicContact CB-CG1 3.94Å; N193-I196 PolarHBondContact O-N 2.86Å; N193-W197 PolarHBondContact O-N 3.44Å
194K95.8Very high95.3Very high102 Ų10250.5 Ų50.544%0.44326%0.263SS..Hα-helixtrans-66-24.3179.1-60.1-169.3-179.4-1460113.9Y192 I196 G198 P199 A201 D202Y192-K194 PolarHBondContact O-N 3.47Å; Y192-K194 VanDerWaalsContact O-N 3.16Å; K194-I196 PolarHBondContact O-N 2.8Å; K194-G198 VanDerWaalsContact CA-O 3.26Å; K194-G198 WeakPolarHBondContact CA-O 3.46Å; K194-G198 WeakPolarHBondContact CB-O 3.13Å; K194-G198 CarbonylContact O-C 3.48Å; K194-G198 VanDerWaalsContact O-CA 3.27Å; K194-G198 WeakPolarHBondContact O-CA 3.22Å; K194-G198 PolarHBondContact O-N 3.27Å; K194-P199 PolarHBondContact NZ-O 3.41Å; K194-A201 HydrophobicContact CG-CB 4.04Å; K194-D202 WeakPolarHBondContact CE-OD2 3.33Å; K194-D202 IonicContact NZ-OD2 3.57Å; K194-D202 PolarHBondContact NZ-OD2 2.86Å
195D94.5Very high95.4Very high154 Ų15450.5 Ų50.582%0.82426%0.262SS*.Hα-helixtrans-71-23.1173-60.7-29.9000112.2N193N193-D195 VanDerWaalsContact C-N 3.25Å; N193-D195 PolarHBondContact O-N 2.9Å; N193-D195 WeakPolarHBondContact OD1-CB 3.23Å; N193-D195 PolarHBondContact OD1-N 2.85Å
196I94.2Very high95.6Very high43 Ų4350.3 Ų50.322%0.22126%0.262CS..Hα-helixtrans-95.3-46.3178.8-60.2174.7000110.6L18 I190 N193 K194 L217 A221L18-I196 HydrophobicContact CD1-CD1 3.75Å; L18-I196 HydrophobicContact CD1-CG1 4.4Å; L18-I196 HydrophobicContact CD2-CD1 4.14Å; L18-I196 HydrophobicContact CG-CD1 4.17Å; I190-I196 HydrophobicContact CG2-CD1 4.18Å; N193-I196 HydrophobicContact CB-CB 4.18Å; N193-I196 HydrophobicContact CB-CD1 3.8Å; N193-I196 HydrophobicContact CB-CG1 3.94Å; N193-I196 PolarHBondContact O-N 2.86Å; K194-I196 PolarHBondContact O-N 2.8Å; I196-L217 HydrophobicContact CG2-CD2 4.38Å; I196-A221 HydrophobicContact CG2-CB 3.76Å
197W94.5Very high95.6Very high15 Ų1551.8 Ų51.86%0.05727%0.267CS..Hα-helixtrans-106.4-7.8-166.7-64.6101000114.4R153 I190 H191 N193 A201 R208 F209 L217 A221 W222R153-W197 VanDerWaalsContact CD-CE3 3.48Å; R153-W197 VanDerWaalsContact CD-CZ3 3.5Å; R153-W197 HydrophobicContact CG-CH2 4.19Å; R153-W197 HydrophobicContact CG-CZ2 3.96Å; I190-W197 PolarHBondContact O-NE1 2.8Å; I190-W197 VanDerWaalsContact O-NE1 3.09Å; H191-W197 PolarHBondContact O-NE1 3.38Å; N193-W197 PolarHBondContact O-N 3.44Å; W197-A201 HydrophobicContact CB-CB 3.72Å; W197-R208 PolarHBondContact O-NH1 3.03Å; W197-F209 AromaticContact CH2-CE1 3.92Å; W197-F209 HydrophobicContact CH2-CE1 3.92Å; W197-F209 AromaticContact CH2-CZ 3.58Å; W197-F209 HydrophobicContact CH2-CZ 3.58Å; W197-F209 HydrophobicContact CZ3-CE1 4.18Å; W197-F209 HydrophobicContact CZ3-CE2 4.41Å; W197-F209 AromaticContact CZ3-CZ 3.75Å; W197-F209 HydrophobicContact CZ3-CZ 3.75Å; W197-L217 HydrophobicContact CH2-CD1 3.71Å; W197-L217 HydrophobicContact CZ3-CD1 3.78Å; W197-L217 HydrophobicContact CZ3-CD2 4.48Å; W197-A221 HydrophobicContact CZ2-CB 4.39Å; W197-A221 WeakPolarHBondContact CZ2-O 3.1Å; W197-W222 HydrophobicContact CH2-CB 4.11Å; W197-W222 HydrophobicContact CH2-CG 4.47Å; W197-W222 HydrophobicContact CZ2-CB 4.19Å
198G93.5Very high95.5Very high20 Ų2052.9 Ų52.921%0.20627%0.271CS..  trans97.5172.1-176.600000113.7K194 D200 A201K194-G198 VanDerWaalsContact CA-O 3.26Å; K194-G198 WeakPolarHBondContact CA-O 3.46Å; K194-G198 WeakPolarHBondContact CB-O 3.13Å; K194-G198 CarbonylContact O-C 3.48Å; K194-G198 VanDerWaalsContact O-CA 3.27Å; K194-G198 WeakPolarHBondContact O-CA 3.22Å; K194-G198 PolarHBondContact O-N 3.27Å; G198-D200 PolarHBondContact O-N 2.85Å; G198-D200 VanDerWaalsContact O-N 3.13Å; G198-A201 WeakPolarHBondContact O-CB 3.4Å; G198-A201 PolarHBondContact O-N 3.35Å; G198-A201 VanDerWaalsContact O-N 3.11Å
199P95.9Very high95.4Very high110 Ų11048 Ų4871%0.71425%0.253SS*.THydrogen-bonded Turntrans-61.1-23.3-177.525.2-34.5000113.7K194K194-P199 PolarHBondContact NZ-O 3.41Å
200D95.8Very high95.1Very high56 Ų5646.9 Ų46.930%0.29925%0.247SC..THydrogen-bonded Turntrans-96.120.3-179.260.7-14.9000112.6G198 D202 E203 I205 R208G198-D200 PolarHBondContact O-N 2.85Å; G198-D200 VanDerWaalsContact O-N 3.13Å; D200-D202 PolarHBondContact O-N 2.84Å; D200-E203 HydrophobicContact CB-CB 4.43Å; D200-E203 HydrophobicContact CB-CG 4.11Å; D200-E203 WeakPolarHBondContact O-CB 3.46Å; D200-E203 PolarHBondContact O-N 2.61Å; D200-I205 HydrophobicContact CB-CD1 4.49Å; D200-I205 VanDerWaalsContact OD2-CD1 3.23Å; D200-I205 WeakPolarHBondContact OD2-CD1 3.4Å; D200-R208 PolarHBondContact O-NH2 3.01Å; D200-R208 IonicContact OD1-CZ 3.17Å; D200-R208 IonicContact OD1-NH1 2.62Å; D200-R208 PolarHBondContact OD1-NH1 3.24Å; D200-R208 IonicContact OD1-NH2 2.93Å; D200-R208 PolarHBondContact OD1-NH2 2.95Å; D200-R208 IonicContact OD2-CZ 2.78Å; D200-R208 IonicContact OD2-NH1 3.77Å; D200-R208 PolarHBondContact OD2-NH1 3.11Å; D200-R208 IonicContact OD2-NH2 3.2Å; D200-R208 PolarHBondContact OD2-NH2 3.28Å
201A96.1Very high94Very high0 Ų052.5 Ų52.50%028%0.277CS..THydrogen-bonded Turntrans-54-24.3177.700000114R153 K194 W197 G198 E203R153-A201 VanDerWaalsContact CZ-O 3.29Å; R153-A201 PolarHBondContact NH1-O 3.01Å; R153-A201 PolarHBondContact NH2-O 3.49Å; K194-A201 HydrophobicContact CG-CB 4.04Å; W197-A201 HydrophobicContact CB-CB 3.72Å; G198-A201 WeakPolarHBondContact O-CB 3.4Å; G198-A201 PolarHBondContact O-N 3.35Å; G198-A201 VanDerWaalsContact O-N 3.11Å; A201-E203 VanDerWaalsContact C-N 3.32Å
202D95.2Very high92.8Very high83 Ų8358.1 Ų58.144%0.44431%0.307SS..THydrogen-bonded Turntrans-80.7-14179.1-52.5-60.8000112.7Y192 K194 D200Y192-D202 VanDerWaalsContact CD1-OD1 3.28Å; Y192-D202 WeakPolarHBondContact CD1-OD1 3.35Å; K194-D202 WeakPolarHBondContact CE-OD2 3.33Å; K194-D202 IonicContact NZ-OD2 3.57Å; K194-D202 PolarHBondContact NZ-OD2 2.86Å; D200-D202 PolarHBondContact O-N 2.84Å
203E96.1Very high91.8Very high95 Ų9559.5 Ų59.544%0.44432%0.316SS..SBendtrans-89.5150.9-175.8-59-60.8153.400112.6E150 R153 D200 A201 I205E150-E203 VanDerWaalsContact OE1-O 3.08Å; R153-E203 PolarHBondContact NH2-O 3.35Å; D200-E203 HydrophobicContact CB-CB 4.43Å; D200-E203 HydrophobicContact CB-CG 4.11Å; D200-E203 WeakPolarHBondContact O-CB 3.46Å; D200-E203 PolarHBondContact O-N 2.61Å; A201-E203 VanDerWaalsContact C-N 3.32Å; E203-I205 HydrophobicContact CB-CD1 4.24Å; E203-I205 HydrophobicContact CB-CG1 4.02Å; E203-I205 PolarHBondContact O-N 2.86Å
204F97.3Very high90.7Very high10 Ų1060.9 Ų60.94%0.04432%0.322CS..  trans-85.195.7174.5-176.6-111000111.1E107 H111 V114 V147 E150 T151 L154 P206E107-F204 HydrophobicContact CB-CD1 3.92Å; E107-F204 HydrophobicContact CB-CD2 4.09Å; E107-F204 HydrophobicContact CB-CE1 3.81Å; E107-F204 HydrophobicContact CB-CE2 4.02Å; E107-F204 HydrophobicContact CB-CG 4.05Å; E107-F204 HydrophobicContact CB-CZ 3.87Å; E107-F204 HydrophobicContact CG-CD2 3.99Å; E107-F204 HydrophobicContact CG-CE2 4.24Å; E107-F204 HydrophobicContact CG-CG 4.14Å; E107-F204 WeakPolarHBondContact OE2-CB 3.33Å; H111-F204 AromaticContact ND1-CD1 3.69Å; V114-F204 HydrophobicContact CG1-CE1 3.99Å; V147-F204 HydrophobicContact CG1-CZ 4.2Å; E150-F204 HydrophobicContact CB-CD2 4.12Å; E150-F204 HydrophobicContact CB-CE2 3.78Å; E150-F204 HydrophobicContact CG-CD2 3.42Å; E150-F204 VanDerWaalsContact CG-CD2 3.42Å; E150-F204 HydrophobicContact CG-CE2 3.63Å; E150-F204 HydrophobicContact CG-CG 4.23Å; T151-F204 WeakPolarHBondContact OG1-CE2 3.46Å; L154-F204 HydrophobicContact CD1-CB 3.85Å; L154-F204 HydrophobicContact CD1-CD2 3.77Å; L154-F204 HydrophobicContact CD1-CG 4.31Å; F204-P206 HydrophobicContact CD1-CG 4.38Å; F204-P206 HydrophobicContact CE1-CG 3.85Å; F204-P206 HydrophobicContact CZ-CG 3.98Å
205I96.6Very high89.8Confident52 Ų5264.2 Ų64.227%0.26734%0.339SS..  trans-123.892.1-179.5-51.5-167.1000110.1E150 D200 E203 E207 R208E150-I205 VanDerWaalsContact CD-O 3.28Å; E150-I205 PolarHBondContact OE1-N 2.92Å; D200-I205 HydrophobicContact CB-CD1 4.49Å; D200-I205 VanDerWaalsContact OD2-CD1 3.23Å; D200-I205 WeakPolarHBondContact OD2-CD1 3.4Å; E203-I205 HydrophobicContact CB-CD1 4.24Å; E203-I205 HydrophobicContact CB-CG1 4.02Å; E203-I205 PolarHBondContact O-N 2.86Å; I205-E207 HydrophobicContact CG2-CB 4.09Å; I205-E207 PolarHBondContact O-N 3.45Å; I205-E207 VanDerWaalsContact O-N 3.16Å; I205-R208 HydrophobicContact CB-CG 4.17Å; I205-R208 HydrophobicContact CG2-CG 4.3Å; I205-R208 WeakPolarHBondContact O-CB 3.22Å; I205-R208 WeakPolarHBondContact O-CG 3.27Å; I205-R208 PolarHBondContact O-N 3.47Å; I205-R208 VanDerWaalsContact O-N 3.14Å
206P97.2Very high89.2Confident0 Ų061.7 Ų61.70%033%0.333CS..G310 helixtrans-53.4-35.6177.9-28.736.2000113.8V114 Y143 C146 V147 F204 R208 F209V114-P206 HydrophobicContact CG1-CG 3.73Å; V114-P206 HydrophobicContact CG2-CG 4.43Å; Y143-P206 HydrophobicContact CE2-CB 3.86Å; C146-P206 HydrophobicContact CB-CB 4.02Å; C146-P206 VanDerWaalsContact CB-O 3.3Å; C146-P206 WeakPolarHBondContact CB-O 3.41Å; V147-P206 HydrophobicContact CG2-CB 3.89Å; V147-P206 HydrophobicContact CG2-CG 3.78Å; F204-P206 HydrophobicContact CD1-CG 4.38Å; F204-P206 HydrophobicContact CE1-CG 3.85Å; F204-P206 HydrophobicContact CZ-CG 3.98Å; P206-R208 PolarHBondContact O-N 2.83Å; P206-F209 PolarHBondContact O-N 3.34Å
207E94.5Very high89Confident67 Ų6761.6 Ų61.631%0.31333%0.333SS..G310 helixtrans-55.8-18.7-179.1-71.673.3-167.100113.5K117 Y143 I205 F209 A210K117-E207 IonicContact NZ-OE1 2.75Å; K117-E207 PolarHBondContact NZ-OE1 3.28Å; Y143-E207 HydrophobicContact CE2-CG 4.48Å; Y143-E207 WeakPolarHBondContact CE2-OE1 3.09Å; Y143-E207 PolarHBondContact OH-OE1 3.48Å; I205-E207 HydrophobicContact CG2-CB 4.09Å; I205-E207 PolarHBondContact O-N 3.45Å; I205-E207 VanDerWaalsContact O-N 3.16Å; E207-F209 PolarHBondContact O-N 3.48Å; E207-F209 VanDerWaalsContact O-N 3.09Å; E207-A210 WeakPolarHBondContact O-CB 3.34Å; E207-A210 PolarHBondContact O-N 3.12Å; E207-A210 VanDerWaalsContact O-N 3.1Å
208R92.8Very high89Confident24 Ų2463.3 Ų63.39%0.09134%0.341CS..G310 helixtrans-55.9-23.7171.3-68.6-173.7-157.6-66-15.9114.1E150 W197 D200 I205 P206 Q213E150-R208 IonicContact OE1-NE 3.5Å; E150-R208 PolarHBondContact OE1-NE 2.71Å; W197-R208 PolarHBondContact O-NH1 3.03Å; D200-R208 PolarHBondContact O-NH2 3.01Å; D200-R208 IonicContact OD1-CZ 3.17Å; D200-R208 IonicContact OD1-NH1 2.62Å; D200-R208 PolarHBondContact OD1-NH1 3.24Å; D200-R208 IonicContact OD1-NH2 2.93Å; D200-R208 PolarHBondContact OD1-NH2 2.95Å; D200-R208 IonicContact OD2-CZ 2.78Å; D200-R208 IonicContact OD2-NH1 3.77Å; D200-R208 PolarHBondContact OD2-NH1 3.11Å; D200-R208 IonicContact OD2-NH2 3.2Å; D200-R208 PolarHBondContact OD2-NH2 3.28Å; I205-R208 HydrophobicContact CB-CG 4.17Å; I205-R208 HydrophobicContact CG2-CG 4.3Å; I205-R208 WeakPolarHBondContact O-CB 3.22Å; I205-R208 WeakPolarHBondContact O-CG 3.27Å; I205-R208 PolarHBondContact O-N 3.47Å; I205-R208 VanDerWaalsContact O-N 3.14Å; P206-R208 PolarHBondContact O-N 2.83Å; R208-Q213 VanDerWaalsContact CA-OE1 3.28Å; R208-Q213 WeakPolarHBondContact O-CB 3.41Å; R208-Q213 PolarHBondContact O-OE1 2.99Å
209F94.2Very high88.9Confident7 Ų767.2 Ų67.23%0.03136%0.363CS..G310 helixtrans-105.513-177.9-68.8-74000113.8C146 R149 E150 R153 W197 P206 E207 W222C146-F209 HydrophobicContact CB-CB 4.23Å; C146-F209 VanDerWaalsContact SG-C 3.53Å; C146-F209 PolarHBondContact SG-O 2.85Å; R149-F209 HydrophobicContact CB-CB 4.24Å; R149-F209 HydrophobicContact CB-CD1 3.89Å; R149-F209 HydrophobicContact CB-CD2 3.55Å; R149-F209 HydrophobicContact CB-CE1 4.12Å; R149-F209 HydrophobicContact CB-CE2 3.79Å; R149-F209 HydrophobicContact CB-CG 3.6Å; R149-F209 HydrophobicContact CB-CZ 4.08Å; R149-F209 HydrophobicContact CG-CD1 4.46Å; R149-F209 HydrophobicContact CG-CG 4.44Å; E150-F209 HydrophobicContact CB-CD2 4.09Å; E150-F209 HydrophobicContact CB-CE2 4.07Å; E150-F209 WeakPolarHBondContact OE2-CE2 3.39Å; R153-F209 HydrophobicContact CB-CE2 4.32Å; R153-F209 HydrophobicContact CB-CZ 4.25Å; W197-F209 AromaticContact CH2-CE1 3.92Å; W197-F209 HydrophobicContact CH2-CE1 3.92Å; W197-F209 AromaticContact CH2-CZ 3.58Å; W197-F209 HydrophobicContact CH2-CZ 3.58Å; W197-F209 HydrophobicContact CZ3-CE1 4.18Å; W197-F209 HydrophobicContact CZ3-CE2 4.41Å; W197-F209 AromaticContact CZ3-CZ 3.75Å; W197-F209 HydrophobicContact CZ3-CZ 3.75Å; P206-F209 PolarHBondContact O-N 3.34Å; E207-F209 PolarHBondContact O-N 3.48Å; E207-F209 VanDerWaalsContact O-N 3.09Å; F209-W222 HydrophobicContact CE1-CB 4.49Å; F209-W222 AromaticContact CE1-CD1 3.6Å; F209-W222 HydrophobicContact CE1-CD2 4.37Å; F209-W222 AromaticContact CE1-CG 3.92Å; F209-W222 HydrophobicContact CE1-CG 3.92Å; F209-W222 AromaticContact CE1-NE1 3.79Å; F209-W222 AromaticContact CZ-CD1 3.3Å; F209-W222 HydrophobicContact CZ-CG 4.08Å; F209-W222 AromaticContact CZ-NE1 3.42Å
210A88Confident88.8Confident33 Ų3362.3 Ų62.327%0.27333%0.331SS..SBendtrans-59.5149.3166.200000110.8E207 D212 Q213E207-A210 WeakPolarHBondContact O-CB 3.34Å; E207-A210 PolarHBondContact O-N 3.12Å; E207-A210 VanDerWaalsContact O-N 3.1Å; A210-D212 PolarHBondContact O-N 3.28Å; A210-Q213 PolarHBondContact O-N 3.29Å
211D74.1Confident88.8Confident119 Ų11959.6 Ų59.664%0.63632%0.316SS*.Hα-helixtrans-55.3-26.9-163.3-77.2-30.5000115.5
212D70.8Confident88.8Confident118 Ų11860.7 Ų60.763%0.63132%0.321SS*.Hα-helixtrans-77.8-35.8-179.959.8-32.2000113A210A210-D212 PolarHBondContact O-N 3.28Å
213Q74Confident88.8Confident90 Ų9057 Ų5742%0.42130%0.301SS..Hα-helixtrans-79.4-37.6-174-60.7-164.4-6.500112.2R208 A210 Q215 S216R208-Q213 VanDerWaalsContact CA-OE1 3.28Å; R208-Q213 WeakPolarHBondContact O-CB 3.41Å; R208-Q213 PolarHBondContact O-OE1 2.99Å; A210-Q213 PolarHBondContact O-N 3.29Å; Q213-Q215 VanDerWaalsContact C-N 3.27Å; Q213-Q215 PolarHBondContact O-N 3.21Å; Q213-S216 PolarHBondContact O-N 2.71Å; Q213-S216 PolarHBondContact O-OG 2.78Å
214M74.5Confident88.8Confident80 Ų8052.8 Ų52.839%0.39428%0.282SS..Hα-helixtrans-61.7-33.5-175.1-169-171.1170.700113.3R149 S216 L217R149-M214 PolarHBondContact NH1-SD 3.11Å; M214-S216 VanDerWaalsContact C-N 3.27Å; M214-S216 PolarHBondContact O-N 2.87Å; M214-L217 PolarHBondContact O-N 3.06Å
215Q75.3Confident88.7Confident172 Ų17253.8 Ų53.880%0.80429%0.286SS*.THydrogen-bonded Turntrans-70.7-24-176.1-62.6-176.325.600113.2Q213Q213-Q215 VanDerWaalsContact C-N 3.27Å; Q213-Q215 PolarHBondContact O-N 3.21Å
216S83.3Confident88.5Confident102 Ų10251.6 Ų51.671%0.71328%0.276SS*.THydrogen-bonded Turntrans-81.3-16.617769.40000113.6Q213 M214Q213-S216 PolarHBondContact O-N 2.71Å; Q213-S216 PolarHBondContact O-OG 2.78Å; M214-S216 VanDerWaalsContact C-N 3.27Å; M214-S216 PolarHBondContact O-N 2.87Å
217L89.6Confident88.3Confident41 Ų4151.9 Ų51.922%0.21528%0.278CS..SBendtrans-72.5139.1-178.1-68.4173.9000110.9I196 W197 M214 A221I196-L217 HydrophobicContact CG2-CD2 4.38Å; W197-L217 HydrophobicContact CH2-CD1 3.71Å; W197-L217 HydrophobicContact CZ3-CD1 3.78Å; W197-L217 HydrophobicContact CZ3-CD2 4.48Å; M214-L217 PolarHBondContact O-N 3.06Å; L217-A221 HydrophobicContact CB-CB 4.24Å; L217-A221 HydrophobicContact CD2-CB 4.45Å
218H93.3Very high88.2Confident50 Ų5049.8 Ų49.823%0.23128%0.275CS..  trans-57.6140.5171.1-177.8-84.3000110L18 E19 F220 A221L18-H218 WeakPolarHBondContact CB-ND1 3.5Å; L18-H218 HydrophobicContact CD1-CB 3.6Å; L18-H218 PolarHBondContact O-CE1 2.78Å; E19-H218 IonicContact OE1-CD2 2.61Å; E19-H218 IonicContact OE1-NE2 3.56Å; H218-F220 AromaticContact CE1-CD2 3.7Å; H218-F220 PolarHBondContact ND1-N 3.07Å; H218-F220 VanDerWaalsContact ND1-N 3.15Å; H218-F220 PolarHBondContact O-N 3.18Å; H218-A221 VanDerWaalsContact O-CB 3.23Å; H218-A221 WeakPolarHBondContact O-CB 3.4Å; H218-A221 PolarHBondContact O-N 2.94Å
219P92.4Very high88.2Confident103 Ų10351.1 Ų51.167%0.66929%0.287SS*.THydrogen-bonded Turntrans-57.8-15-174.6-28.335.5000116.4
220F94.8Very high88.1Confident6 Ų651.1 Ų51.13%0.02629%0.287CS..THydrogen-bonded Turntrans-105.94.1177.1-73.2-98.3000114.2L18 L21 N22 F25 I26 H218 I223 A227L18-F220 HydrophobicContact CD2-CB 4.24Å; L21-F220 HydrophobicContact CB-CB 4.44Å; L21-F220 HydrophobicContact CB-CD1 3.69Å; L21-F220 HydrophobicContact CB-CE1 4.13Å; L21-F220 HydrophobicContact CB-CG 4.11Å; L21-F220 HydrophobicContact CD1-CD1 4.46Å; N22-F220 VanDerWaalsContact CA-CE2 3.5Å; N22-F220 HydrophobicContact CB-CD2 4.03Å; N22-F220 HydrophobicContact CB-CE2 3.77Å; N22-F220 HydrophobicContact CB-CZ 4.49Å; F25-F220 HydrophobicContact CB-CE1 3.62Å; F25-F220 HydrophobicContact CB-CZ 3.7Å; F25-F220 AromaticContact CD1-CE1 3.94Å; F25-F220 HydrophobicContact CD1-CE1 3.94Å; F25-F220 AromaticContact CG-CE1 3.82Å; F25-F220 HydrophobicContact CG-CE1 3.82Å; F25-F220 HydrophobicContact CG-CZ 4.41Å; I26-F220 HydrophobicContact CD1-CZ 4.24Å; I26-F220 HydrophobicContact CG1-CE2 4.13Å; I26-F220 HydrophobicContact CG1-CZ 3.87Å; H218-F220 AromaticContact CE1-CD2 3.7Å; H218-F220 PolarHBondContact ND1-N 3.07Å; H218-F220 VanDerWaalsContact ND1-N 3.15Å; H218-F220 PolarHBondContact O-N 3.18Å; F220-I223 HydrophobicContact CB-CG2 4.48Å; F220-I223 HydrophobicContact CD1-CG2 4.37Å; F220-A227 HydrophobicContact CD1-CB 3.73Å; F220-A227 HydrophobicContact CE1-CB 3.31Å; F220-A227 HydrophobicContact CZ-CB 3.98Å
221A95.5Very high88.3Confident0 Ų054 Ų540%029%0.29CS..SBendtrans-70.1-36.5177.500000112.4I190 H191 I196 W197 L217 H218I190-A221 WeakPolarHBondContact CG2-O 3.25Å; H191-A221 PolarHBondContact CD2-O 3.44Å; H191-A221 VanDerWaalsContact CD2-O 3.25Å; I196-A221 HydrophobicContact CG2-CB 3.76Å; W197-A221 HydrophobicContact CZ2-CB 4.39Å; W197-A221 WeakPolarHBondContact CZ2-O 3.1Å; L217-A221 HydrophobicContact CB-CB 4.24Å; L217-A221 HydrophobicContact CD2-CB 4.45Å; H218-A221 VanDerWaalsContact O-CB 3.23Å; H218-A221 WeakPolarHBondContact O-CB 3.4Å; H218-A221 PolarHBondContact O-N 2.94Å
222W95.2Very high89.2Confident23 Ų2350.7 Ų50.79%0.08728%0.276CS..  trans-120.2101.3177.9-171.183.7000110.6R149 L152 W197 F209 P224 F225R149-W222 HydrophobicContact CB-CZ2 3.95Å; R149-W222 HydrophobicContact CG-CH2 4.13Å; R149-W222 HydrophobicContact CG-CZ2 3.69Å; R149-W222 PolarHBondContact O-NE1 3.33Å; R149-W222 VanDerWaalsContact O-NE1 3.09Å; L152-W222 HydrophobicContact CB-CZ2 4.19Å; L152-W222 HydrophobicContact CD1-CZ2 4.31Å; W197-W222 HydrophobicContact CH2-CB 4.11Å; W197-W222 HydrophobicContact CH2-CG 4.47Å; W197-W222 HydrophobicContact CZ2-CB 4.19Å; F209-W222 HydrophobicContact CE1-CB 4.49Å; F209-W222 AromaticContact CE1-CD1 3.6Å; F209-W222 HydrophobicContact CE1-CD2 4.37Å; F209-W222 AromaticContact CE1-CG 3.92Å; F209-W222 HydrophobicContact CE1-CG 3.92Å; F209-W222 AromaticContact CE1-NE1 3.79Å; F209-W222 AromaticContact CZ-CD1 3.3Å; F209-W222 HydrophobicContact CZ-CG 4.08Å; F209-W222 AromaticContact CZ-NE1 3.42Å; W222-P224 VanDerWaalsContact C-CD 3.46Å; W222-P224 VanDerWaalsContact CD2-CD 3.42Å; W222-P224 HydrophobicContact CD2-CG 3.83Å; W222-P224 VanDerWaalsContact CE2-CG 3.42Å; W222-P224 HydrophobicContact CE3-CG 4.07Å; W222-P224 HydrophobicContact CH2-CG 3.61Å; W222-P224 HydrophobicContact CZ2-CG 3.32Å; W222-P224 HydrophobicContact CZ3-CG 3.97Å; W222-F225 HydrophobicContact CH2-CD2 4.07Å; W222-F225 HydrophobicContact CH2-CE2 4.03Å; W222-F225 HydrophobicContact CZ3-CD2 4.38Å
223I95.7Very high90.1Very high5 Ų546.8 Ų46.83%0.02626%0.255CS..  trans-133.342.9-173.857.8172.2000114.1V185 V187 I190 H191 F220 F225 G226 A227V185-I223 HydrophobicContact CG1-CD1 3.91Å; V187-I223 HydrophobicContact CG1-CG1 4.04Å; V187-I223 HydrophobicContact CG2-CD1 4.08Å; V187-I223 HydrophobicContact CG2-CG1 4.26Å; I190-I223 HydrophobicContact CD1-CD1 4.03Å; H191-I223 PolarHBondContact NE2-N 3.03Å; F220-I223 HydrophobicContact CB-CG2 4.48Å; F220-I223 HydrophobicContact CD1-CG2 4.37Å; I223-F225 PolarHBondContact O-N 3.48Å; I223-G226 WeakPolarHBondContact O-CA 3.44Å; I223-G226 PolarHBondContact O-N 3.14Å; I223-A227 HydrophobicContact CG2-CB 3.87Å
224P95.2Very high90.9Very high7 Ų743 Ų435%0.04524%0.24CC..THydrogen-bonded Turntrans-63.5-26.5179.926.7-32.7000112.9L152 W222 G226L152-P224 HydrophobicContact CB-CB 3.92Å; L152-P224 HydrophobicContact CB-CG 3.94Å; W222-P224 VanDerWaalsContact C-CD 3.46Å; W222-P224 VanDerWaalsContact CD2-CD 3.42Å; W222-P224 HydrophobicContact CD2-CG 3.83Å; W222-P224 VanDerWaalsContact CE2-CG 3.42Å; W222-P224 HydrophobicContact CE3-CG 4.07Å; W222-P224 HydrophobicContact CH2-CG 3.61Å; W222-P224 HydrophobicContact CZ2-CG 3.32Å; W222-P224 HydrophobicContact CZ3-CG 3.97Å; P224-G226 VanDerWaalsContact C-N 3.35Å
225F94.8Very high91.8Very high31 Ų3140.5 Ų40.514%0.13623%0.227CC..THydrogen-bonded Turntrans-93.28.6173.8-65.3-74.7000113.3L152 W222 I223 R231 C232 E235 A238 L239L152-F225 HydrophobicContact CD1-CE2 3.6Å; L152-F225 HydrophobicContact CD1-CZ 3.72Å; W222-F225 HydrophobicContact CH2-CD2 4.07Å; W222-F225 HydrophobicContact CH2-CE2 4.03Å; W222-F225 HydrophobicContact CZ3-CD2 4.38Å; I223-F225 PolarHBondContact O-N 3.48Å; F225-R231 HydrophobicContact CB-CG 4.49Å; F225-C232 HydrophobicContact CB-CB 3.77Å; F225-C232 HydrophobicContact CD1-CB 3.86Å; F225-C232 HydrophobicContact CG-CB 4.27Å; F225-C232 WeakPolarHBondContact O-CB 3.33Å; F225-C232 PolarHBondContact O-N 3.39Å; F225-E235 HydrophobicContact CB-CB 4.35Å; F225-E235 HydrophobicContact CB-CG 4.28Å; F225-E235 HydrophobicContact CD1-CB 3.89Å; F225-E235 HydrophobicContact CD1-CG 4.03Å; F225-E235 HydrophobicContact CD2-CB 4.38Å; F225-E235 HydrophobicContact CD2-CG 3.64Å; F225-E235 WeakPolarHBondContact CD2-OE1 3.24Å; F225-E235 HydrophobicContact CE1-CB 4.28Å; F225-E235 HydrophobicContact CE1-CG 4.27Å; F225-E235 HydrophobicContact CE2-CG 3.9Å; F225-E235 HydrophobicContact CG-CB 3.94Å; F225-E235 HydrophobicContact CG-CG 3.7Å; F225-E235 HydrophobicContact CZ-CG 4.21Å; F225-A238 HydrophobicContact CE1-CB 4.18Å; F225-L239 HydrophobicContact CE2-CD1 4.45Å; F225-L239 HydrophobicContact CE2-CD2 4.07Å; F225-L239 HydrophobicContact CE2-CG 4.23Å; F225-L239 HydrophobicContact CZ-CD2 4.09Å; F225-L239 HydrophobicContact CZ-CG 4.15Å
226G93.5Very high92.6Very high6 Ų643 Ų436%0.06223%0.229CC..  trans69.7-175.7-167.700000113I223 P224 R231I223-G226 WeakPolarHBondContact O-CA 3.44Å; I223-G226 PolarHBondContact O-N 3.14Å; P224-G226 VanDerWaalsContact C-N 3.35Å; G226-R231 WeakPolarHBondContact O-CG 3.33Å
227A93.2Very high92.9Very high5 Ų542.9 Ų42.94%0.04122%0.216CC..  trans-136.5171-175.600000113.1F25 R164 F220 I223 R231F25-A227 HydrophobicContact CD1-CB 4.01Å; F25-A227 WeakPolarHBondContact CD1-O 3.32Å; R164-A227 PolarHBondContact NH2-O 3.01Å; F220-A227 HydrophobicContact CD1-CB 3.73Å; F220-A227 HydrophobicContact CE1-CB 3.31Å; F220-A227 HydrophobicContact CZ-CB 3.98Å; I223-A227 HydrophobicContact CG2-CB 3.87Å; A227-R231 PolarHBondContact O-N 3.42Å
228G92.9Very high93.2Very high23 Ų2341.4 Ų41.424%0.23721%0.21CC..G310 helixtrans64.6-161.3178.800000113.7R230 R231G228-R230 PolarHBondContact O-N 2.83Å; G228-R231 VanDerWaalsContact O-CB 3.25Å; G228-R231 WeakPolarHBondContact O-CB 3.33Å; G228-R231 PolarHBondContact O-N 2.84Å
229P92.9Very high93.2Very high53 Ų5340.2 Ų40.234%0.34421%0.205SC..G310 helixtrans-59.2-25.5-174.4-26.735.9000114.1F25 F29 W62F25-P229 VanDerWaalsContact O-CD 3.28Å; F25-P229 WeakPolarHBondContact O-CD 3.3Å; F29-P229 HydrophobicContact CD1-CB 4.33Å; F29-P229 HydrophobicContact CD1-CG 3.85Å; F29-P229 HydrophobicContact CD2-CB 4.31Å; F29-P229 HydrophobicContact CD2-CG 3.84Å; F29-P229 HydrophobicContact CE1-CB 3.88Å; F29-P229 HydrophobicContact CE1-CG 3.93Å; F29-P229 HydrophobicContact CE2-CB 3.86Å; F29-P229 HydrophobicContact CE2-CG 3.92Å; F29-P229 HydrophobicContact CG-CG 3.81Å; F29-P229 HydrophobicContact CZ-CB 3.63Å; F29-P229 HydrophobicContact CZ-CG 3.97Å; W62-P229 HydrophobicContact CH2-CB 3.63Å; W62-P229 WeakPolarHBondContact CH2-O 2.95Å; W62-P229 WeakPolarHBondContact CZ2-O 3.15Å; W62-P229 HydrophobicContact CZ3-CB 4.27Å
230R91.7Very high93.3Very high7 Ų737 Ų373%0.02618%0.182CC..G310 helixtrans-93.412.4178.7-64.6-79.1-84.1156.4-2.7113.4F29 R35 M54 F55 W62 G228F29-R230 HydrophobicContact CE2-CG 3.83Å; F29-R230 HydrophobicContact CZ-CG 4.06Å; R35-R230 VanDerWaalsContact CD-NH2 3.3Å; R35-R230 VanDerWaalsContact CG-NH2 3.35Å; R35-R230 PolarHBondContact NH2-O 3.35Å; M54-R230 PolarHBondContact O-NH1 3.44Å; F55-R230 PolarHBondContact O-NH2 3.43Å; W62-R230 HydrophobicContact CH2-CG 4.19Å; W62-R230 HydrophobicContact CZ2-CG 3.97Å; G228-R230 PolarHBondContact O-N 2.83Å
231R92.2Very high93.2Very high92 Ų9240 Ų4035%0.34720%0.196SC..SBendtrans-53.4149.1170.2-177.8167.1-177.3157.95.4111.1R66 F225 G226 A227 G228 I233 E235R66-R231 VanDerWaalsContact CZ-O 3.31Å; R66-R231 PolarHBondContact NH1-O 3.37Å; R66-R231 PolarHBondContact NH2-O 3.23Å; F225-R231 HydrophobicContact CB-CG 4.49Å; G226-R231 WeakPolarHBondContact O-CG 3.33Å; A227-R231 PolarHBondContact O-N 3.42Å; G228-R231 VanDerWaalsContact O-CB 3.25Å; G228-R231 WeakPolarHBondContact O-CB 3.33Å; G228-R231 PolarHBondContact O-N 2.84Å; R231-I233 PolarHBondContact O-N 3.19Å; R231-E235 IonicContact CZ-OE1 3.49Å; R231-E235 IonicContact CZ-OE2 3.38Å; R231-E235 IonicContact NE-OE1 3.19Å; R231-E235 IonicContact NE-OE2 3.06Å; R231-E235 PolarHBondContact NE-OE2 3.4Å; R231-E235 IonicContact NH2-OE1 3.39Å; R231-E235 PolarHBondContact NH2-OE1 3.49Å; R231-E235 IonicContact NH2-OE2 2.75Å; R231-E235 PolarHBondContact NH2-OE2 3.45Å
232C92.7Very high93.3Very high51 Ų5140.1 Ų40.135%0.34520%0.197SC..  trans-46.5134.6-178.1-172.10000111.2F225 G234 E235F225-C232 HydrophobicContact CB-CB 3.77Å; F225-C232 HydrophobicContact CD1-CB 3.86Å; F225-C232 HydrophobicContact CG-CB 4.27Å; F225-C232 WeakPolarHBondContact O-CB 3.33Å; F225-C232 PolarHBondContact O-N 3.39Å; C232-G234 PolarHBondContact SG-N 2.8Å; C232-G234 VanDerWaalsContact SG-N 3.43Å; C232-E235 HydrophobicContact CB-CB 4.3Å
233I89.7Confident93.4Very high35 Ų3539.5 Ų39.518%0.17920%0.195CC..SBendtrans-79.3-28.3178.2-163.6172.1000111.7M54 R66 A70 F73 R231M54-I233 HydrophobicContact CE-CB 4.25Å; M54-I233 HydrophobicContact CE-CD1 3.83Å; M54-I233 HydrophobicContact CE-CG2 3.62Å; M54-I233 HydrophobicContact SD-CD1 3.94Å; R66-I233 HydrophobicContact CG-CD1 3.9Å; A70-I233 HydrophobicContact CB-CD1 4.01Å; A70-I233 HydrophobicContact CB-CG1 4.34Å; F73-I233 HydrophobicContact CD2-CG1 4.25Å; F73-I233 HydrophobicContact CD2-CG2 4.2Å; F73-I233 HydrophobicContact CE2-CB 4.39Å; F73-I233 HydrophobicContact CE2-CD1 4.24Å; F73-I233 HydrophobicContact CE2-CG1 4.19Å; F73-I233 HydrophobicContact CE2-CG2 3.45Å; F73-I233 VanDerWaalsContact CE2-CG2 3.45Å; F73-I233 HydrophobicContact CZ-CG2 3.88Å; R231-I233 PolarHBondContact O-N 3.19Å
234G90.1Very high93.3Very high10 Ų1041 Ų4110%0.10320%0.202CC..SBendtrans-98.49.2-174.500000114.1C232 R236 F237 A238C232-G234 PolarHBondContact SG-N 2.8Å; C232-G234 VanDerWaalsContact SG-N 3.43Å; G234-R236 VanDerWaalsContact C-N 3.34Å; G234-R236 PolarHBondContact O-N 3.13Å; G234-F237 WeakPolarHBondContact O-CA 3.37Å; G234-F237 WeakPolarHBondContact O-CB 3.33Å; G234-F237 PolarHBondContact O-N 3.47Å; G234-A238 PolarHBondContact O-N 2.78Å
235E93.3Very high93.3Very high29 Ų2943.4 Ų43.414%0.13622%0.217CC..Hα-helixtrans-50.6-49.6-177170.9174.5-166.100112.9F225 R231 C232 F237 A238 L239F225-E235 HydrophobicContact CB-CB 4.35Å; F225-E235 HydrophobicContact CB-CG 4.28Å; F225-E235 HydrophobicContact CD1-CB 3.89Å; F225-E235 HydrophobicContact CD1-CG 4.03Å; F225-E235 HydrophobicContact CD2-CB 4.38Å; F225-E235 HydrophobicContact CD2-CG 3.64Å; F225-E235 WeakPolarHBondContact CD2-OE1 3.24Å; F225-E235 HydrophobicContact CE1-CB 4.28Å; F225-E235 HydrophobicContact CE1-CG 4.27Å; F225-E235 HydrophobicContact CE2-CG 3.9Å; F225-E235 HydrophobicContact CG-CB 3.94Å; F225-E235 HydrophobicContact CG-CG 3.7Å; F225-E235 HydrophobicContact CZ-CG 4.21Å; R231-E235 IonicContact CZ-OE1 3.49Å; R231-E235 IonicContact CZ-OE2 3.38Å; R231-E235 IonicContact NE-OE1 3.19Å; R231-E235 IonicContact NE-OE2 3.06Å; R231-E235 PolarHBondContact NE-OE2 3.4Å; R231-E235 IonicContact NH2-OE1 3.39Å; R231-E235 PolarHBondContact NH2-OE1 3.49Å; R231-E235 IonicContact NH2-OE2 2.75Å; R231-E235 PolarHBondContact NH2-OE2 3.45Å; C232-E235 HydrophobicContact CB-CB 4.3Å; E235-F237 VanDerWaalsContact C-N 3.28Å; E235-F237 PolarHBondContact O-N 3.31Å; E235-A238 PolarHBondContact O-N 3.34Å; E235-L239 HydrophobicContact CG-CD1 4.02Å; E235-L239 WeakPolarHBondContact O-CG 3.34Å; E235-L239 PolarHBondContact O-N 2.97Å
236R91.9Very high93.4Very high224 Ų22441.9 Ų41.985%0.84521%0.211SC*.Hα-helixtrans-62.7-36.1179.3-66.9-177.4178.3-178.4-2.4112.7G234 L240G234-R236 VanDerWaalsContact C-N 3.34Å; G234-R236 PolarHBondContact O-N 3.13Å; R236-L240 WeakPolarHBondContact O-CB 3.12Å; R236-L240 PolarHBondContact O-N 3.25Å; R236-L240 VanDerWaalsContact O-N 3.13Å
237F91.4Very high93.5Very high99 Ų9941.6 Ų41.643%0.43421%0.208SC..Hα-helixtrans-70.8-46.2177.8179.3-96.9000110.8F73 G234 E235 L240 E241F73-F237 HydrophobicContact CB-CB 4.45Å; F73-F237 HydrophobicContact CD1-CB 4.31Å; F73-F237 HydrophobicContact CD1-CG 4.39Å; G234-F237 WeakPolarHBondContact O-CA 3.37Å; G234-F237 WeakPolarHBondContact O-CB 3.33Å; G234-F237 PolarHBondContact O-N 3.47Å; E235-F237 VanDerWaalsContact C-N 3.28Å; E235-F237 PolarHBondContact O-N 3.31Å; F237-L240 PolarHBondContact O-N 3.06Å; F237-E241 WeakPolarHBondContact CE1-OE2 3.43Å; F237-E241 WeakPolarHBondContact O-CB 3.32Å; F237-E241 PolarHBondContact O-N 2.99Å
238A94.1Very high93.5Very high10 Ų1046.6 Ų46.68%0.08323%0.225CC..Hα-helixtrans-59.9-48.5177.200000111.7F225 G234 E235 L240 E241 M242F225-A238 HydrophobicContact CE1-CB 4.18Å; G234-A238 PolarHBondContact O-N 2.78Å; E235-A238 PolarHBondContact O-N 3.34Å; A238-L240 VanDerWaalsContact C-N 3.31Å; A238-L240 PolarHBondContact O-N 3.25Å; A238-E241 PolarHBondContact O-N 2.96Å; A238-M242 VanDerWaalsContact O-CG 3.27Å; A238-M242 WeakPolarHBondContact O-CG 3.32Å; A238-M242 PolarHBondContact O-N 3.34Å
239L94.9Very high93.5Very high26 Ų2648 Ų4814%0.13623%0.227CC..Hα-helixtrans-60.6-40.9176.8-69.3173.9000111.8I148 L152 F225 E235 M242 K243I148-L239 HydrophobicContact CG2-CD2 3.67Å; L152-L239 HydrophobicContact CD1-CD2 4.11Å; F225-L239 HydrophobicContact CE2-CD1 4.45Å; F225-L239 HydrophobicContact CE2-CD2 4.07Å; F225-L239 HydrophobicContact CE2-CG 4.23Å; F225-L239 HydrophobicContact CZ-CD2 4.09Å; F225-L239 HydrophobicContact CZ-CG 4.15Å; E235-L239 HydrophobicContact CG-CD1 4.02Å; E235-L239 WeakPolarHBondContact O-CG 3.34Å; E235-L239 PolarHBondContact O-N 2.97Å; L239-M242 PolarHBondContact O-N 3.47Å; L239-K243 WeakPolarHBondContact O-CB 3.4Å; L239-K243 WeakPolarHBondContact O-CG 3.49Å; L239-K243 PolarHBondContact O-N 3.29Å
240L93.6Very high93.6Very high35 Ų3545.5 Ų45.518%0.18321%0.211CC..Hα-helixtrans-63.7-46.2175.9177.363000112.1Y135 V138 R236 F237 A238 M242 K243 L244Y135-L240 HydrophobicContact CD2-CD1 3.48Å; Y135-L240 VanDerWaalsContact CD2-CD1 3.48Å; Y135-L240 HydrophobicContact CD2-CD2 3.63Å; Y135-L240 HydrophobicContact CD2-CG 4.18Å; Y135-L240 HydrophobicContact CE2-CD1 4.01Å; Y135-L240 HydrophobicContact CE2-CD2 3.97Å; Y135-L240 HydrophobicContact CG-CD1 4.48Å; V138-L240 HydrophobicContact CG2-CD1 3.88Å; R236-L240 WeakPolarHBondContact O-CB 3.12Å; R236-L240 PolarHBondContact O-N 3.25Å; R236-L240 VanDerWaalsContact O-N 3.13Å; F237-L240 PolarHBondContact O-N 3.06Å; A238-L240 VanDerWaalsContact C-N 3.31Å; A238-L240 PolarHBondContact O-N 3.25Å; L240-M242 VanDerWaalsContact C-N 3.34Å; L240-M242 PolarHBondContact O-N 3.42Å; L240-K243 PolarHBondContact O-N 3.24Å; L240-L244 HydrophobicContact CD1-CD1 3.79Å; L240-L244 HydrophobicContact CD1-CG 3.92Å; L240-L244 HydrophobicContact CG-CD1 3.84Å; L240-L244 HydrophobicContact CG-CG 4.36Å; L240-L244 WeakPolarHBondContact O-CB 3.21Å; L240-L244 WeakPolarHBondContact O-CG 3.39Å; L240-L244 PolarHBondContact O-N 3.41Å
241E93.8Very high93.5Very high70 Ų7046.8 Ų46.833%0.32722%0.216SC..Hα-helixtrans-59.2-45.7177.5-177.6177.1-178.500111.1T97 F237 A238 T245T97-E241 HydrophobicContact CG2-CB 4.29Å; T97-E241 HydrophobicContact CG2-CG 4.07Å; F237-E241 WeakPolarHBondContact CE1-OE2 3.43Å; F237-E241 WeakPolarHBondContact O-CB 3.32Å; F237-E241 PolarHBondContact O-N 2.99Å; A238-E241 PolarHBondContact O-N 2.96Å; E241-T245 VanDerWaalsContact O-CB 3.28Å; E241-T245 WeakPolarHBondContact O-CB 3.3Å; E241-T245 PolarHBondContact O-N 3.32Å; E241-T245 PolarHBondContact O-OG1 3.34Å
242M96.9Very high93.5Very high2 Ų249.5 Ų49.51%0.0123%0.23CC..Hα-helixtrans-60.8-50.4176.6-68.4179.371.100111.4T97 A100 L101 I148 A238 L239 L240 L244 T245 L246T97-M242 HydrophobicContact CG2-CG 3.67Å; A100-M242 HydrophobicContact CB-CE 3.5Å; A100-M242 VanDerWaalsContact CB-CE 3.5Å; A100-M242 HydrophobicContact CB-SD 3.82Å; L101-M242 HydrophobicContact CD2-CB 4.29Å; L101-M242 HydrophobicContact CD2-CG 4.39Å; L101-M242 HydrophobicContact CG-CG 4.14Å; I148-M242 HydrophobicContact CB-CE 4.43Å; I148-M242 HydrophobicContact CD1-CB 3.94Å; I148-M242 HydrophobicContact CG1-CB 4.48Å; I148-M242 HydrophobicContact CG1-CE 4.24Å; I148-M242 HydrophobicContact CG2-CE 3.66Å; I148-M242 HydrophobicContact CG2-SD 3.95Å; A238-M242 VanDerWaalsContact O-CG 3.27Å; A238-M242 WeakPolarHBondContact O-CG 3.32Å; A238-M242 PolarHBondContact O-N 3.34Å; L239-M242 PolarHBondContact O-N 3.47Å; L240-M242 VanDerWaalsContact C-N 3.34Å; L240-M242 PolarHBondContact O-N 3.42Å; M242-L244 PolarHBondContact O-N 2.88Å; M242-T245 PolarHBondContact O-N 3.2Å; M242-L246 WeakPolarHBondContact O-CB 3.44Å; M242-L246 WeakPolarHBondContact O-CG 3.48Å; M242-L246 PolarHBondContact O-N 3.47Å
243K96.5Very high93.6Very high10 Ų1053 Ų534%0.04324%0.237CC..Hα-helixtrans-58.8-49.5-179.6-75.9-175.3179.4-162.50112.3V138 L144 D145 I148 L239 L240 T245 A247V138-K243 HydrophobicContact CB-CB 3.97Å; V138-K243 HydrophobicContact CB-CD 4.47Å; V138-K243 HydrophobicContact CG2-CB 4.06Å; L144-K243 HydrophobicContact CD2-CB 3.81Å; L144-K243 HydrophobicContact CD2-CD 4.49Å; L144-K243 HydrophobicContact CD2-CG 3.86Å; L144-K243 HydrophobicContact CG-CB 4.46Å; L144-K243 HydrophobicContact CG-CG 4.04Å; D145-K243 WeakPolarHBondContact OD1-CE 3.25Å; D145-K243 IonicContact OD1-NZ 3.48Å; D145-K243 PolarHBondContact OD1-NZ 3.01Å; I148-K243 HydrophobicContact CD1-CB 4.29Å; I148-K243 HydrophobicContact CD1-CG 3.39Å; L239-K243 WeakPolarHBondContact O-CB 3.4Å; L239-K243 WeakPolarHBondContact O-CG 3.49Å; L239-K243 PolarHBondContact O-N 3.29Å; L240-K243 PolarHBondContact O-N 3.24Å; K243-T245 VanDerWaalsContact C-N 3.3Å; K243-T245 PolarHBondContact O-N 3.19Å; K243-A247 WeakPolarHBondContact O-CB 3.3Å; K243-A247 PolarHBondContact O-N 3.26Å
244L94.6Very high93.9Very high35 Ų3555.9 Ų55.918%0.18325%0.248CC..Hα-helixtrans-62.9-36.8179-75.9175.2000112.4P133 V138 L240 M242 R248P133-L244 HydrophobicContact CB-CD2 4.18Å; P133-L244 VanDerWaalsContact O-CD2 3.28Å; P133-L244 WeakPolarHBondContact O-CD2 3.41Å; V138-L244 HydrophobicContact CG1-CD2 3.9Å; V138-L244 HydrophobicContact CG2-CD2 4.06Å; V138-L244 HydrophobicContact CG2-CG 4.29Å; L240-L244 HydrophobicContact CD1-CD1 3.79Å; L240-L244 HydrophobicContact CD1-CG 3.92Å; L240-L244 HydrophobicContact CG-CD1 3.84Å; L240-L244 HydrophobicContact CG-CG 4.36Å; L240-L244 WeakPolarHBondContact O-CB 3.21Å; L240-L244 WeakPolarHBondContact O-CG 3.39Å; L240-L244 PolarHBondContact O-N 3.41Å; M242-L244 PolarHBondContact O-N 2.88Å; L244-R248 WeakPolarHBondContact O-CB 3.47Å; L244-R248 WeakPolarHBondContact O-CG 3.32Å; L244-R248 PolarHBondContact O-N 2.93Å
245T95.4Very high94.2Very high58 Ų5856.5 Ų56.536%0.35625%0.25SC..Hα-helixtrans-70.7-50.3179.8-59.10000110.9L101 E241 M242 K243 R248 L249L101-T245 HydrophobicContact CD1-CG2 3.94Å; L101-T245 HydrophobicContact CD2-CG2 3.99Å; E241-T245 VanDerWaalsContact O-CB 3.28Å; E241-T245 WeakPolarHBondContact O-CB 3.3Å; E241-T245 PolarHBondContact O-N 3.32Å; E241-T245 PolarHBondContact O-OG1 3.34Å; M242-T245 PolarHBondContact O-N 3.2Å; K243-T245 VanDerWaalsContact C-N 3.3Å; K243-T245 PolarHBondContact O-N 3.19Å; T245-R248 PolarHBondContact O-N 3.07Å; T245-L249 WeakPolarHBondContact O-CB 3.25Å; T245-L249 PolarHBondContact O-N 2.84Å
246L96.7Very high94.3Very high0 Ų062 Ų620%027%0.274CS..Hα-helixtrans-62.6-45178.5-70.2166.1000111.5L101 T104 I105 L108 L144 I148 M242 R248 L249 L250L101-L246 HydrophobicContact CD2-CD1 4.16Å; L101-L246 HydrophobicContact CD2-CD2 3.98Å; L101-L246 HydrophobicContact CD2-CG 3.67Å; T104-L246 HydrophobicContact CG2-CD1 3.68Å; T104-L246 HydrophobicContact CG2-CD2 3.93Å; T104-L246 HydrophobicContact CG2-CG 4.48Å; I105-L246 HydrophobicContact CG1-CD2 4.22Å; L108-L246 HydrophobicContact CD1-CD2 4.42Å; L144-L246 HydrophobicContact CD1-CB 3.87Å; L144-L246 HydrophobicContact CD1-CD1 4.02Å; I148-L246 HydrophobicContact CD1-CD1 3.95Å; I148-L246 HydrophobicContact CG1-CD1 3.71Å; M242-L246 WeakPolarHBondContact O-CB 3.44Å; M242-L246 WeakPolarHBondContact O-CG 3.48Å; M242-L246 PolarHBondContact O-N 3.47Å; L246-R248 VanDerWaalsContact C-N 3.31Å; L246-R248 PolarHBondContact O-N 3.29Å; L246-L249 PolarHBondContact O-N 3.34Å; L246-L250 HydrophobicContact CB-CD1 4.42Å; L246-L250 VanDerWaalsContact O-CB 3.31Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 WeakPolarHBondContact O-CG 3.11Å; L246-L250 PolarHBondContact O-N 3.2Å
247A94.9Very high94.3Very high0 Ų054.6 Ų54.60%025%0.25CS..Hα-helixtrans-58.2-42.7176.900000111.9P133 V138 K243 R251P133-A247 HydrophobicContact CB-CB 3.95Å; P133-A247 HydrophobicContact CG-CB 3.82Å; V138-A247 HydrophobicContact CG1-CB 4.02Å; K243-A247 WeakPolarHBondContact O-CB 3.3Å; K243-A247 PolarHBondContact O-N 3.26Å; A247-R251 WeakPolarHBondContact O-CB 3.13Å; A247-R251 PolarHBondContact O-N 3.34Å
248R92.6Very high94.2Very high110 Ų11054.4 Ų54.442%0.41525%0.254SS..Hα-helixtrans-69.1-43.5176.6-76.6-177.2174.695.47.9112.7P133 L244 T245 L246P133-R248 HydrophobicContact CG-CG 3.86Å; P133-R248 PolarHBondContact O-NH2 3.2Å; L244-R248 WeakPolarHBondContact O-CB 3.47Å; L244-R248 WeakPolarHBondContact O-CG 3.32Å; L244-R248 PolarHBondContact O-N 2.93Å; T245-R248 PolarHBondContact O-N 3.07Å; L246-R248 VanDerWaalsContact C-N 3.31Å; L246-R248 PolarHBondContact O-N 3.29Å
249L94.3Very high93.9Very high53 Ų5362.5 Ų62.528%0.27730%0.296SS..Hα-helixtrans-67.5-54.9-176.5-17574.5000111.1I105 T245 L246 R251 K252 Y253I105-L249 HydrophobicContact CD1-CD2 3.58Å; I105-L249 HydrophobicContact CG1-CD2 3.96Å; T245-L249 WeakPolarHBondContact O-CB 3.25Å; T245-L249 PolarHBondContact O-N 2.84Å; L246-L249 PolarHBondContact O-N 3.34Å; L249-R251 PolarHBondContact O-N 3.31Å; L249-K252 PolarHBondContact O-N 3.25Å; L249-K252 VanDerWaalsContact O-N 3.1Å; L249-Y253 HydrophobicContact CD1-CD2 4.05Å; L249-Y253 PolarHBondContact O-N 3.15Å
250L94.8Very high93.5Very high0 Ų072.1 Ų72.10%033%0.33CS..Hα-helixtrans-72.8-14.5-174.8-63.6174.7000113.2L108 Q115 L118 R119 I122 L246 Y253 V255L108-L250 HydrophobicContact CD1-CD1 3.64Å; L108-L250 HydrophobicContact CD1-CD2 4.21Å; L108-L250 HydrophobicContact CD1-CG 4.48Å; Q115-L250 HydrophobicContact CG-CD2 4.33Å; L118-L250 HydrophobicContact CD2-CD1 3.41Å; L118-L250 VanDerWaalsContact CD2-CD1 3.41Å; L118-L250 HydrophobicContact CG-CD1 4Å; R119-L250 PolarHBondContact NH1-O 2.94Å; I122-L250 HydrophobicContact CD1-CB 3.83Å; I122-L250 HydrophobicContact CD1-CD1 4.03Å; L246-L250 HydrophobicContact CB-CD1 4.42Å; L246-L250 VanDerWaalsContact O-CB 3.31Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 WeakPolarHBondContact O-CG 3.11Å; L246-L250 PolarHBondContact O-N 3.2Å; L250-Y253 CarbonylContact C-O 3.43Å; L250-Y253 WeakPolarHBondContact CA-O 3.41Å; L250-V255 HydrophobicContact CD2-CG2 4.43Å
251R90.1Very high93.1Very high33 Ų3372.8 Ų72.813%0.12534%0.336CS..Hα-helixtrans-68.9-45.9167.5-168.9175-164.8-148.6-2.3111.1R119 I122 M123 H126 D128 E129 E131 A247 L249R119-R251 PolarHBondContact NH1-O 3.25Å; R119-R251 PolarHBondContact NH2-O 2.91Å; I122-R251 HydrophobicContact CG2-CB 4.06Å; I122-R251 HydrophobicContact CG2-CG 4.48Å; M123-R251 HydrophobicContact CE-CB 4.23Å; M123-R251 HydrophobicContact CE-CG 3.73Å; M123-R251 WeakPolarHBondContact CE-O 3.33Å; M123-R251 HydrophobicContact SD-CG 3.95Å; H126-R251 PolarHBondContact O-NH2 2.82Å; D128-R251 PolarHBondContact O-NH1 3.21Å; D128-R251 VanDerWaalsContact O-NH1 3.13Å; D128-R251 PolarHBondContact O-NH2 2.66Å; E129-R251 VanDerWaalsContact CA-NH2 3.29Å; E129-R251 PolarHBondContact O-NH1 3.2Å; E129-R251 VanDerWaalsContact O-NH1 3.15Å; E131-R251 PolarHBondContact O-NH1 3.39Å; A247-R251 WeakPolarHBondContact O-CB 3.13Å; A247-R251 PolarHBondContact O-N 3.34Å; L249-R251 PolarHBondContact O-N 3.31Å
252K90.5Very high92.4Very high149 Ų14976.7 Ų76.765%0.64835%0.354SS*.Hα-helixtrans-87.9-31-175.2-170.4171.5178.7-168.40113.9L249L249-K252 PolarHBondContact O-N 3.25Å; L249-K252 VanDerWaalsContact O-N 3.1Å
253Y95.2Very high91.4Very high124 Ų12480 Ų8049%0.48637%0.374SS..  trans-127.8152.3-171.2-57.3-74.8000111.5R119 L249 L250R119-Y253 PolarHBondContact NH1-O 3Å; L249-Y253 HydrophobicContact CD1-CD2 4.05Å; L249-Y253 PolarHBondContact O-N 3.15Å; L250-Y253 CarbonylContact C-O 3.43Å; L250-Y253 WeakPolarHBondContact CA-O 3.41Å
254K96.4Very high89.8Confident96 Ų9684 Ų8442%0.41740%0.395SS..  trans-104.5141.6159.7-69.1-172.2172.4-164.10107.9Q115 E116 F256Q115-K254 VanDerWaalsContact OE1-CA 3.23Å; E116-K254 IonicContact OE1-NZ 3.03Å; E116-K254 WeakPolarHBondContact OE2-CE 2.88Å; E116-K254 IonicContact OE2-NZ 2.68Å; E116-K254 PolarHBondContact OE2-NZ 3.37Å; K254-F256 HydrophobicContact CB-CE2 3.61Å; K254-F256 HydrophobicContact CB-CZ 3.77Å; K254-F256 HydrophobicContact CD-CZ 4.35Å
255V96.6Very high88.1Confident23 Ų2390.9 Ų90.914%0.13942%0.424CS..  trans-107.1141.8-179-63.10000109.9I105 L108 A109 Q115 L250I105-V255 HydrophobicContact CG2-CB 4.25Å; I105-V255 HydrophobicContact CG2-CG1 4.07Å; I105-V255 HydrophobicContact CG2-CG2 4.27Å; L108-V255 HydrophobicContact CB-CG2 4.18Å; A109-V255 HydrophobicContact CB-CB 4.47Å; A109-V255 HydrophobicContact CB-CG2 4.15Å; Q115-V255 PolarHBondContact NE2-O 3.48Å; L250-V255 HydrophobicContact CD2-CG2 4.43Å
256F94.9Very high85.7Confident146 Ų14696.7 Ų96.764%0.6446%0.46SS*.  trans-140.5152.4-178.6-56.6-87.4000108.9K254K254-F256 HydrophobicContact CB-CE2 3.61Å; K254-F256 HydrophobicContact CB-CZ 3.77Å; K254-F256 HydrophobicContact CD-CZ 4.35Å
257L92.8Very high85.1Confident67 Ų67101.5 Ų101.535%0.35148%0.483SS..  trans-65.2145.7168.5-58.9175.4000109.3Y106 A109 R110 T261 V263Y106-L257 HydrophobicContact CD2-CD2 4.26Å; Y106-L257 HydrophobicContact CE2-CD2 4.23Å; A109-L257 HydrophobicContact CB-CD2 3.92Å; A109-L257 HydrophobicContact CB-CG 4.23Å; R110-L257 HydrophobicContact CG-CD1 3.94Å; R110-L257 HydrophobicContact CG-CD2 4.03Å; R110-L257 HydrophobicContact CG-CG 4.4Å; L257-T261 HydrophobicContact CD2-CG2 3.84Å; L257-V263 HydrophobicContact CD1-CG2 4.41Å
258N89Confident84.6Confident95 Ų95106.8 Ų106.851%0.50851%0.508SS..  trans-105.2164.816766.633.8000109.8R260 T261N258-R260 PolarHBondContact O-N 3.27Å; N258-R260 WeakPolarHBondContact OD1-CA 3.4Å; N258-R260 WeakPolarHBondContact OD1-CB 3.48Å; N258-R260 PolarHBondContact OD1-N 3.22Å; N258-T261 WeakPolarHBondContact O-CB 3.04Å; N258-T261 PolarHBondContact O-N 3.2Å; N258-T261 PolarHBondContact O-OG1 2.92Å; N258-T261 PolarHBondContact OD1-N 3.06Å; N258-T261 PolarHBondContact OD1-OG1 2.93Å
259D87.2Confident84.2Confident181 Ų181106.7 Ų106.797%0.96851%0.514SS*.THydrogen-bonded Turntrans-60-12.1-178.6-55.2-27.6000114.3
260R86.8Confident83.6Confident228 Ų228109.8 Ų109.886%0.8653%0.527SS*.THydrogen-bonded Turntrans-95.5-7.3178.4-57.1-178.5-177.4179.10.4113.2N258 E262N258-R260 PolarHBondContact O-N 3.27Å; N258-R260 WeakPolarHBondContact OD1-CA 3.4Å; N258-R260 WeakPolarHBondContact OD1-CB 3.48Å; N258-R260 PolarHBondContact OD1-N 3.22Å; R260-E262 PolarHBondContact O-N 3.35Å
261T84.2Confident82.9Confident49 Ų49116.7 Ų116.730%0.30156%0.56SS.*  trans-85.2106.8-176.1-54.40000108.7Y106 L257 N258 V263Y106-T261 HydrophobicContact CD2-CG2 4.11Å; Y106-T261 HydrophobicContact CE2-CG2 3.72Å; L257-T261 HydrophobicContact CD2-CG2 3.84Å; N258-T261 WeakPolarHBondContact O-CB 3.04Å; N258-T261 PolarHBondContact O-N 3.2Å; N258-T261 PolarHBondContact O-OG1 2.92Å; N258-T261 PolarHBondContact OD1-N 3.06Å; N258-T261 PolarHBondContact OD1-OG1 2.93Å; T261-V263 PolarHBondContact O-N 2.88Å
262E80.1Confident82.4Confident151 Ų151122.3 Ų122.371%0.70659%0.589SS**  trans-65.6128172.4-66.9-179.6177.400109.5Y106 R260 L264Y106-E262 PolarHBondContact OH-O 2.79Å; R260-E262 PolarHBondContact O-N 3.35Å; E262-L264 HydrophobicContact CB-CD2 4.36Å; E262-L264 PolarHBondContact O-N 3.5Å; E262-L264 VanDerWaalsContact O-N 3.12Å
263V76.6Confident81.8Confident72 Ų72120.4 Ų120.444%0.43659%0.585SS.*  trans-77.199.1170.4-177.40000106.8Y106 L257 T261Y106-V263 WeakPolarHBondContact OH-CA 3.39Å; L257-V263 HydrophobicContact CD1-CG2 4.41Å; T261-V263 PolarHBondContact O-N 2.88Å
264L61.7Low80.8Confident93 Ų93120.1 Ų120.149%0.48759%0.593SS.*  trans-81.9119.7-179.1-65.4173.5000108Y106 E262Y106-L264 PolarHBondContact OH-N 2.94Å; Y106-L264 VanDerWaalsContact OH-N 3.09Å; E262-L264 HydrophobicContact CB-CD2 4.36Å; E262-L264 PolarHBondContact O-N 3.5Å; E262-L264 VanDerWaalsContact O-N 3.12Å
265F59Low79.5Confident180 Ų180122.1 Ų122.179%0.78961%0.608SS**  trans68.1104.9179.5-43.4-77.6000113.3
266T45Very low77.9Confident180 Ų180131.1 Ų131.1100%1.10465%0.65SS**  trans-92.8016451.10000110.4

Retrieved 266 of 266 residues in 135.5 ms (Link to these results)

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