A0A093K6N9_STRCA Loading...

Vesicle-trafficking protein SEC22c

May be involved in vesicle transport between the ER and the Golgi complex.

AlphaFold DB , UniProt , Accession A0A093K6N9, Species STRCA (Struthio camelus australis), Gene n/a, Length 304 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
1M58.9Low90.7Very high209 Ų20934.9 Ų34.9100%1.0318%0.183SC*.  0139.50-71.7165.571.500107.8M3 S75M1-M3 PolarHBondContact O-N 3.37Å; M1-S75 PolarHBondContact O-OG 3.44Å
2S78.9Confident90.9Very high60 Ų6033.7 Ų33.742%0.4218%0.178SC..  trans-78.2112.8-179.8-177.60000109.2S77 Y78S2-S77 VanDerWaalsContact OG-C 3.27Å; S2-S77 PolarHBondContact OG-O 2.69Å; S2-Y78 WeakPolarHBondContact OG-CA 3.39Å; S2-Y78 WeakPolarHBondContact OG-CD2 3.37Å; S2-Y78 PolarHBondContact OG-N 2.98Å
3M90.1Very high90.8Very high75 Ų7541.3 Ų41.337%0.36920%0.203SC..  trans-153.5158.9-176.768.6-174.5-175.500113.3M1 I5 C74 S75M1-M3 PolarHBondContact O-N 3.37Å; M3-I5 HydrophobicContact CE-CD1 4.46Å; M3-I5 HydrophobicContact CE-CG1 4.08Å; M3-I5 HydrophobicContact CG-CG1 4.09Å; M3-C74 WeakPolarHBondContact O-CA 3.35Å; M3-S75 PolarHBondContact O-N 3.07Å; M3-S75 PolarHBondContact O-OG 3.11Å
4I93Very high90.7Very high1 Ų143.3 Ų43.31%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-80.2122.5164.4-52.2179.3000108A72 Y78 F86 K123 F126 N127I4-A72 HydrophobicContact CG2-CB 4.39Å; I4-Y78 HydrophobicContact CD1-CE1 3.91Å; I4-Y78 HydrophobicContact CG1-CD1 4.21Å; I4-Y78 HydrophobicContact CG1-CE1 3.61Å; I4-Y78 HydrophobicContact CG1-CE2 4.08Å; I4-F86 HydrophobicContact CD1-CB 3.71Å; I4-F86 HydrophobicContact CD1-CD1 3.81Å; I4-F86 HydrophobicContact CD1-CD2 3.62Å; I4-F86 HydrophobicContact CD1-CE1 4.3Å; I4-F86 HydrophobicContact CD1-CE2 4.15Å; I4-F86 HydrophobicContact CD1-CG 3.42Å; I4-F86 VanDerWaalsContact CD1-CG 3.42Å; I4-F86 HydrophobicContact CD1-CZ 4.45Å; I4-F86 HydrophobicContact CG2-CD1 4.45Å; I4-F86 HydrophobicContact CG2-CE1 4.03Å; I4-F86 HydrophobicContact CG2-CZ 4.15Å; I4-K123 HydrophobicContact CB-CG 4.1Å; I4-K123 HydrophobicContact CG2-CD 4.46Å; I4-K123 HydrophobicContact CG2-CG 3.99Å; I4-F126 HydrophobicContact CD1-CB 3.74Å; I4-F126 HydrophobicContact CD1-CD1 4.48Å; I4-F126 HydrophobicContact CD1-CG 4.35Å; I4-N127 PolarHBondContact N-OD1 3.3Å; I4-N127 PolarHBondContact O-ND2 3.16Å
5I94.1Very high90.8Very high16 Ų1640.9 Ų40.98%0.08221%0.205CC..EExtended strand (participates in β ladder)trans-98.5-47.7-172.2-52.5-177.8000110.5M3 H25 F30 L58 I73M3-I5 HydrophobicContact CE-CD1 4.46Å; M3-I5 HydrophobicContact CE-CG1 4.08Å; M3-I5 HydrophobicContact CG-CG1 4.09Å; I5-H25 WeakPolarHBondContact CG2-NE2 3.07Å; I5-H25 PolarHBondContact O-NE2 2.75Å; I5-F30 HydrophobicContact CB-CE2 4.42Å; I5-F30 HydrophobicContact CG2-CD2 3.76Å; I5-F30 HydrophobicContact CG2-CE2 3.68Å; I5-L58 HydrophobicContact CD1-CD2 3.31Å; I5-I73 WeakPolarHBondContact CB-O 3.46Å; I5-I73 PolarHBondContact N-O 2.79Å
6F96.2Very high91.1Very high5 Ų539.8 Ų39.82%0.02220%0.2CC..EExtended strand (participates in β ladder)trans-140.5148.6-176.9171.7-96.9000110.2C8 A20 S21 F30 L37 A72 I73F6-C8 HydrophobicContact CE1-CB 3.87Å; F6-C8 HydrophobicContact CZ-CB 3.84Å; F6-A20 HydrophobicContact CE2-CB 3.88Å; F6-A20 HydrophobicContact CZ-CB 3.75Å; F6-S21 WeakPolarHBondContact CD2-OG 3.42Å; F6-S21 WeakPolarHBondContact CE2-O 3.46Å; F6-F30 HydrophobicContact CB-CE2 3.57Å; F6-F30 HydrophobicContact CB-CZ 3.74Å; F6-F30 HydrophobicContact CD2-CZ 4.31Å; F6-F30 HydrophobicContact CG-CE2 4.34Å; F6-F30 HydrophobicContact CG-CZ 4.11Å; F6-L37 HydrophobicContact CD1-CD1 4.23Å; F6-L37 HydrophobicContact CE1-CD1 4.23Å; F6-L37 HydrophobicContact CE1-CD2 4.43Å; F6-A72 CarbonylContact O-C 3.55Å; F6-A72 VanDerWaalsContact O-CA 3.27Å; F6-A72 WeakPolarHBondContact O-CA 3.46Å; F6-I73 HydrophobicContact CB-CB 4.18Å; F6-I73 HydrophobicContact CB-CD1 4.26Å; F6-I73 HydrophobicContact CB-CG1 4.39Å; F6-I73 HydrophobicContact CD1-CD1 3.89Å; F6-I73 HydrophobicContact CD1-CG1 4.1Å; F6-I73 HydrophobicContact CG-CD1 4.4Å; F6-I73 PolarHBondContact N-O 2.76Å; F6-I73 PolarHBondContact O-N 3.44Å
7A97.6Very high91.5Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-143.4148.8172.800000111.2A20 S21 M71 F86 L90 I119A7-A20 CarbonylContact O-C 3.6Å; A7-A20 WeakPolarHBondContact O-CA 3.36Å; A7-S21 PolarHBondContact N-OG 3.26Å; A7-S21 PolarHBondContact O-N 2.68Å; A7-M71 CarbonylContact C-O 3.53Å; A7-M71 VanDerWaalsContact CA-O 3.27Å; A7-M71 WeakPolarHBondContact CA-O 3.42Å; A7-F86 HydrophobicContact CB-CE1 3.57Å; A7-F86 HydrophobicContact CB-CZ 3.53Å; A7-L90 HydrophobicContact CB-CD1 4.05Å; A7-I119 HydrophobicContact CB-CG2 3.8Å
8C97.7Very high91.8Very high5 Ų537.2 Ų37.23%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-147.6158.4174.464.50000112.2F6 S19 A20 C70 M71F6-C8 HydrophobicContact CE1-CB 3.87Å; F6-C8 HydrophobicContact CZ-CB 3.84Å; C8-S19 CarbonylContact C-O 3.59Å; C8-S19 VanDerWaalsContact CA-O 3.28Å; C8-S19 WeakPolarHBondContact CA-O 3.21Å; C8-S19 VanDerWaalsContact CB-O 3.32Å; C8-S19 WeakPolarHBondContact CB-O 3.12Å; C8-A20 HydrophobicContact CB-CB 3.61Å; C8-C70 WeakPolarHBondContact O-CA 3.36Å; C8-M71 PolarHBondContact N-O 2.87Å; C8-M71 PolarHBondContact O-N 3.37Å
9V98.1Very high92.1Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-110.9129.5169.5-170.90000107.3L18 S19 I68 A69 F94 F115V9-L18 HydrophobicContact CB-CB 4.46Å; V9-L18 HydrophobicContact CG1-CB 4.47Å; V9-L18 HydrophobicContact CG1-CD1 4.29Å; V9-L18 WeakPolarHBondContact O-CB 3.37Å; V9-L18 PolarHBondContact O-N 2.98Å; V9-S19 PolarHBondContact N-O 3.47Å; V9-S19 PolarHBondContact O-N 3.44Å; V9-I68 HydrophobicContact CG1-CB 4.4Å; V9-A69 WeakPolarHBondContact CA-O 3.2Å; V9-F94 HydrophobicContact CB-CD2 4.26Å; V9-F94 HydrophobicContact CB-CE2 4.25Å; V9-F94 HydrophobicContact CG1-CD1 4.07Å; V9-F94 HydrophobicContact CG1-CD2 4.03Å; V9-F94 HydrophobicContact CG1-CE1 4.07Å; V9-F94 HydrophobicContact CG1-CE2 4.06Å; V9-F94 HydrophobicContact CG1-CG 4.03Å; V9-F94 HydrophobicContact CG1-CZ 4.08Å; V9-F94 HydrophobicContact CG2-CD2 3.99Å; V9-F94 HydrophobicContact CG2-CE2 4.42Å; V9-F94 HydrophobicContact CG2-CG 4.41Å; V9-F115 HydrophobicContact CG2-CD1 4.22Å; V9-F115 HydrophobicContact CG2-CE1 3.98Å
10V97.6Very high92.4Very high3 Ų334 Ų342%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-127.1157.9-179.9-55.60000110L16 L44 I68 A69 M71V10-L16 CarbonylContact C-O 3.57Å; V10-L16 VanDerWaalsContact CA-O 3.31Å; V10-L16 WeakPolarHBondContact CA-O 3.17Å; V10-L44 HydrophobicContact CG2-CD1 3.66Å; V10-I68 CarbonylContact O-C 3.55Å; V10-I68 WeakPolarHBondContact O-CA 3.08Å; V10-A69 HydrophobicContact CG2-CB 3.94Å; V10-A69 PolarHBondContact N-O 3.47Å; V10-A69 PolarHBondContact O-N 3.35Å; V10-M71 HydrophobicContact CG1-SD 4.42Å; V10-M71 HydrophobicContact CG2-CG 4.41Å; V10-M71 HydrophobicContact CG2-SD 4.04Å
11R95.8Very high92.5Very high10 Ų1032.5 Ų32.54%0.03817%0.168CC..EExtended strand (participates in β ladder)trans-85.4131.4170-172167.658.1-160.65.1109.9R13 D14 G15 L16 L18 D67 I103 N104 A106R11-R13 HydrophobicContact CG-CG 4.09Å; R11-R13 VanDerWaalsContact CZ-CZ 3.49Å; R11-R13 VanDerWaalsContact NE-NE 3.17Å; R11-R13 VanDerWaalsContact NH2-NH2 3.18Å; R11-R13 PolarHBondContact O-N 2.93Å; R11-D14 IonicContact CZ-OD1 3.38Å; R11-D14 IonicContact CZ-OD2 3.98Å; R11-D14 VanDerWaalsContact CZ-OD2 3.31Å; R11-D14 IonicContact NE-OD1 3.57Å; R11-D14 PolarHBondContact NE-OD1 3.39Å; R11-D14 IonicContact NE-OD2 3.69Å; R11-D14 PolarHBondContact NE-OD2 3.4Å; R11-D14 VanDerWaalsContact NE-OD2 3.15Å; R11-D14 IonicContact NH2-OD1 3.55Å; R11-D14 IonicContact NH2-OD2 2.66Å; R11-D14 PolarHBondContact NH2-OD2 3.15Å; R11-G15 WeakPolarHBondContact O-CA 3.45Å; R11-G15 PolarHBondContact O-N 2.86Å; R11-L16 HydrophobicContact CB-CB 4.26Å; R11-L16 PolarHBondContact N-O 3.11Å; R11-L18 HydrophobicContact CB-CD1 4.33Å; R11-L18 HydrophobicContact CB-CD2 4.27Å; R11-L18 HydrophobicContact CB-CG 4.38Å; R11-D67 CarbonylContact C-O 3.47Å; R11-D67 WeakPolarHBondContact CA-O 3.38Å; R11-D67 WeakPolarHBondContact CG-O 3.18Å; R11-I103 PolarHBondContact NH1-O 3.05Å; R11-N104 PolarHBondContact NH1-O 3.43Å; R11-A106 VanDerWaalsContact CZ-O 3.3Å; R11-A106 PolarHBondContact NH1-O 3.15Å; R11-A106 PolarHBondContact NH2-O 2.8Å
12V92.8Very high93.9Very high20 Ų2027 Ų2712%0.12115%0.146CC..THydrogen-bonded Turntrans-65.7-39.1-170.4173.90000112.3D14 L44 A45 D67 I68 A69V12-D14 VanDerWaalsContact C-N 3.31Å; V12-D14 PolarHBondContact O-N 3.38Å; V12-L44 HydrophobicContact CG1-CB 4.46Å; V12-A45 HydrophobicContact CG1-CB 4.1Å; V12-D67 PolarHBondContact N-O 3.26Å; V12-I68 WeakPolarHBondContact CG2-O 3.48Å; V12-A69 HydrophobicContact CG2-CB 3.89Å
13R89.4Confident94Very high133 Ų13326 Ų2650%0.50214%0.136SC..THydrogen-bonded Turntrans-65.3-30.7-171.377.8-168.6-176.7-167.12.6114.5R11 N104R11-R13 HydrophobicContact CG-CG 4.09Å; R11-R13 VanDerWaalsContact CZ-CZ 3.49Å; R11-R13 VanDerWaalsContact NE-NE 3.17Å; R11-R13 VanDerWaalsContact NH2-NH2 3.18Å; R11-R13 PolarHBondContact O-N 2.93Å; R13-N104 PolarHBondContact NH1-OD1 3.13Å; R13-N104 PolarHBondContact NH2-O 3.32Å
14D89.6Confident93.2Very high69 Ų6932.4 Ų32.437%0.36916%0.162SC..THydrogen-bonded Turntrans-138.9-3.3-170.753.212.4000113.7R11 V12 L16R11-D14 IonicContact CZ-OD1 3.38Å; R11-D14 IonicContact CZ-OD2 3.98Å; R11-D14 VanDerWaalsContact CZ-OD2 3.31Å; R11-D14 IonicContact NE-OD1 3.57Å; R11-D14 PolarHBondContact NE-OD1 3.39Å; R11-D14 IonicContact NE-OD2 3.69Å; R11-D14 PolarHBondContact NE-OD2 3.4Å; R11-D14 VanDerWaalsContact NE-OD2 3.15Å; R11-D14 IonicContact NH2-OD1 3.55Å; R11-D14 IonicContact NH2-OD2 2.66Å; R11-D14 PolarHBondContact NH2-OD2 3.15Å; V12-D14 VanDerWaalsContact C-N 3.31Å; V12-D14 PolarHBondContact O-N 3.38Å; D14-L16 PolarHBondContact O-N 3.23Å; D14-L16 VanDerWaalsContact OD1-CB 3.3Å; D14-L16 WeakPolarHBondContact OD1-CB 3.19Å; D14-L16 PolarHBondContact OD1-N 3.01Å; D14-L16 VanDerWaalsContact OD1-N 3.1Å
15G93.1Very high92.4Very high7 Ų735.3 Ų35.37%0.07218%0.176CC..  trans68.417.4-175.300000114R11 P17 S41R11-G15 WeakPolarHBondContact O-CA 3.45Å; R11-G15 PolarHBondContact O-N 2.86Å; G15-P17 WeakPolarHBondContact O-CD 3.35Å; G15-S41 WeakPolarHBondContact CA-O 3.4Å
16L95.7Very high91.3Very high24 Ų2444.4 Ų44.413%0.12622%0.215CC..  trans-60121.1179.2-177.774.4000109.4V10 R11 D14 L18 A106 P109V10-L16 CarbonylContact C-O 3.57Å; V10-L16 VanDerWaalsContact CA-O 3.31Å; V10-L16 WeakPolarHBondContact CA-O 3.17Å; R11-L16 HydrophobicContact CB-CB 4.26Å; R11-L16 PolarHBondContact N-O 3.11Å; D14-L16 PolarHBondContact O-N 3.23Å; D14-L16 VanDerWaalsContact OD1-CB 3.3Å; D14-L16 WeakPolarHBondContact OD1-CB 3.19Å; D14-L16 PolarHBondContact OD1-N 3.01Å; D14-L16 VanDerWaalsContact OD1-N 3.1Å; L16-L18 HydrophobicContact CD2-CD2 4.25Å; L16-L18 PolarHBondContact O-N 3.02Å; L16-A106 HydrophobicContact CD2-CB 4.32Å; L16-A106 WeakPolarHBondContact CD2-O 3.32Å; L16-P109 HydrophobicContact CD1-CG 4.21Å
17P96.9Very high90.7Very high33 Ų3348.6 Ų48.621%0.21424%0.237CC..EExtended strand (participates in β ladder)trans-68.5124.5176.428.1-34000109.5G15 P109 Y110G15-P17 WeakPolarHBondContact O-CD 3.35Å; P17-P109 HydrophobicContact CG-CB 3.97Å; P17-Y110 HydrophobicContact CB-CD1 4.12Å; P17-Y110 HydrophobicContact CB-CE1 3.71Å; P17-Y110 HydrophobicContact CB-CE2 4.47Å; P17-Y110 HydrophobicContact CG-CE1 4.29Å; P17-Y110 HydrophobicContact CG-CE2 4.16Å; P17-Y110 PolarHBondContact O-N 3.29Å
18L97.2Very high90.1Very high0 Ų055.8 Ų55.80%027%0.271CS..EExtended strand (participates in β ladder)trans-93.8-43.2-179.8-60.4-175.6000110.8V9 R11 L16 I68 F94 I103 A106 Y110 A111 F112V9-L18 HydrophobicContact CB-CB 4.46Å; V9-L18 HydrophobicContact CG1-CB 4.47Å; V9-L18 HydrophobicContact CG1-CD1 4.29Å; V9-L18 WeakPolarHBondContact O-CB 3.37Å; V9-L18 PolarHBondContact O-N 2.98Å; R11-L18 HydrophobicContact CB-CD1 4.33Å; R11-L18 HydrophobicContact CB-CD2 4.27Å; R11-L18 HydrophobicContact CB-CG 4.38Å; L16-L18 HydrophobicContact CD2-CD2 4.25Å; L16-L18 PolarHBondContact O-N 3.02Å; L18-I68 HydrophobicContact CD1-CG2 3.86Å; L18-F94 HydrophobicContact CB-CE2 4.49Å; L18-F94 HydrophobicContact CB-CZ 4.02Å; L18-F94 HydrophobicContact CD1-CE1 4.01Å; L18-F94 HydrophobicContact CD1-CZ 3.86Å; L18-I103 HydrophobicContact CD1-CG2 3.87Å; L18-A106 HydrophobicContact CD2-CB 4.42Å; L18-Y110 CarbonylContact O-C 3.55Å; L18-Y110 VanDerWaalsContact O-CA 3.31Å; L18-Y110 WeakPolarHBondContact O-CA 3.36Å; L18-A111 PolarHBondContact O-N 3.3Å; L18-F112 HydrophobicContact CB-CD2 3.84Å; L18-F112 HydrophobicContact CB-CE2 4.45Å; L18-F112 HydrophobicContact CD2-CD2 4.13Å; L18-F112 HydrophobicContact CD2-CE2 3.97Å; L18-F112 HydrophobicContact CG-CD2 4.44Å; L18-F112 WeakPolarHBondContact O-CA 3.44Å; L18-F112 WeakPolarHBondContact O-CB 3.31Å; L18-F112 PolarHBondContact O-N 2.86Å
19S97.9Very high89.5Confident0 Ų059.2 Ų59.20%029%0.289CS..EExtended strand (participates in β ladder)trans-157.2157.3174.9-161.80000110.8C8 V9 F112 D116C8-S19 CarbonylContact C-O 3.59Å; C8-S19 VanDerWaalsContact CA-O 3.28Å; C8-S19 WeakPolarHBondContact CA-O 3.21Å; C8-S19 VanDerWaalsContact CB-O 3.32Å; C8-S19 WeakPolarHBondContact CB-O 3.12Å; V9-S19 PolarHBondContact N-O 3.47Å; V9-S19 PolarHBondContact O-N 3.44Å; S19-F112 WeakPolarHBondContact CB-O 3.47Å; S19-F112 PolarHBondContact OG-O 3.43Å; S19-D116 PolarHBondContact OG-N 2.85Å
20A97.4Very high89.1Confident10 Ų1059.5 Ų59.58%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-157.2158178.100000112.3F6 A7 C8 Y110F6-A20 HydrophobicContact CE2-CB 3.88Å; F6-A20 HydrophobicContact CZ-CB 3.75Å; A7-A20 CarbonylContact O-C 3.6Å; A7-A20 WeakPolarHBondContact O-CA 3.36Å; C8-A20 HydrophobicContact CB-CB 3.61Å; A20-Y110 HydrophobicContact CB-CD1 4.25Å; A20-Y110 HydrophobicContact CB-CE1 3.65Å
21S95.4Very high88.8Confident3 Ų363.7 Ų63.72%0.02131%0.312CS..  trans-69134.6174.1790000112F6 A7 D23 D116F6-S21 WeakPolarHBondContact CD2-OG 3.42Å; F6-S21 WeakPolarHBondContact CE2-O 3.46Å; A7-S21 PolarHBondContact N-OG 3.26Å; A7-S21 PolarHBondContact O-N 2.68Å; S21-D23 VanDerWaalsContact C-N 3.32Å; S21-D23 WeakPolarHBondContact CB-OD2 3.28Å; S21-D23 PolarHBondContact O-N 2.68Å; S21-D23 PolarHBondContact OG-OD2 3.17Å; S21-D116 VanDerWaalsContact CA-OD1 3.29Å; S21-D116 WeakPolarHBondContact CA-OD1 3.31Å
22T87.4Confident88.5Confident92 Ų9267.4 Ų67.456%0.56433%0.33SS*.  trans-90.425.8-175.350.70000115.1F24 D116T22-F24 PolarHBondContact O-N 3.06Å; T22-D116 WeakPolarHBondContact CB-OD2 3.22Å; T22-D116 WeakPolarHBondContact CG2-OD2 3.45Å; T22-D116 PolarHBondContact N-OD1 3.01Å; T22-D116 PolarHBondContact OG1-OD2 3.24Å
23D81.4Confident88.3Confident41 Ų4166.9 Ų66.922%0.21933%0.327CS..  trans-72.6130.9-175.6-46.5-69.5000112.7S21 H25 Q120 K123S21-D23 VanDerWaalsContact C-N 3.32Å; S21-D23 WeakPolarHBondContact CB-OD2 3.28Å; S21-D23 PolarHBondContact O-N 2.68Å; S21-D23 PolarHBondContact OG-OD2 3.17Å; D23-H25 VanDerWaalsContact CB-NE2 3.32Å; D23-H25 WeakPolarHBondContact CB-NE2 3.39Å; D23-H25 PolarHBondContact O-N 3.36Å; D23-Q120 PolarHBondContact OD1-NE2 2.81Å; D23-Q120 PolarHBondContact OD1-OE1 2.89Å; D23-Q120 PolarHBondContact OD2-NE2 2.83Å; D23-K123 IonicContact OD1-NZ 3.44Å; D23-K123 PolarHBondContact OD1-NZ 3.02Å; D23-K123 IonicContact OD2-NZ 2.68Å; D23-K123 PolarHBondContact OD2-NZ 2.68Å
24F72.5Confident88.4Confident209 Ų20964.9 Ų64.992%0.91732%0.319SS*.  trans-81111.6175-72.2-81.8000110.6T22T22-F24 PolarHBondContact O-N 3.06Å
25H76.3Confident88.5Confident62 Ų6267.2 Ų67.229%0.28733%0.326SS..  trans-123.2118.5173.4-65.1-69.2000110.2I5 D23 F30I5-H25 WeakPolarHBondContact CG2-NE2 3.07Å; I5-H25 PolarHBondContact O-NE2 2.75Å; D23-H25 VanDerWaalsContact CB-NE2 3.32Å; D23-H25 WeakPolarHBondContact CB-NE2 3.39Å; D23-H25 PolarHBondContact O-N 3.36Å; H25-F30 HydrophobicContact CB-CD1 3.44Å; H25-F30 VanDerWaalsContact CB-CD1 3.44Å; H25-F30 HydrophobicContact CB-CD2 4.48Å; H25-F30 HydrophobicContact CB-CE1 3.63Å; H25-F30 HydrophobicContact CB-CG 3.9Å; H25-F30 HydrophobicContact CB-CZ 4.23Å; H25-F30 AromaticContact CD2-CZ 3.83Å
26F70.4Confident88.3Confident207 Ų20770.5 Ų70.591%0.90834%0.337SS*.  trans-91.3-1.9179.8-158.5-97.4000113.5Q28F26-Q28 PolarHBondContact O-N 2.94Å
27N84.4Confident88.2Confident92 Ų9269.7 Ų69.749%0.49233%0.332SS..  trans-65.7126.5-179.3-175.1-27.2000110.4D29 F30 L31N27-D29 VanDerWaalsContact C-N 3.32Å; N27-D29 PolarHBondContact O-N 3.3Å; N27-D29 WeakPolarHBondContact OD1-CB 2.92Å; N27-D29 PolarHBondContact OD1-N 2.93Å; N27-D29 PolarHBondContact OD1-OD2 3.19Å; N27-F30 HydrophobicContact CB-CB 4.09Å; N27-F30 WeakPolarHBondContact O-CB 3.33Å; N27-F30 PolarHBondContact O-N 3.35Å; N27-F30 VanDerWaalsContact O-N 3.16Å; N27-L31 PolarHBondContact O-N 3.46Å
28Q85.8Confident88Confident152 Ų15274.7 Ų74.771%0.7135%0.351SS*.Hα-helixtrans-59.5-40179.4-175.2169.8-14.700112.5F26 F30 L31 E32F26-Q28 PolarHBondContact O-N 2.94Å; Q28-F30 VanDerWaalsContact C-N 3.27Å; Q28-F30 PolarHBondContact O-N 3.44Å; Q28-L31 PolarHBondContact O-N 2.88Å; Q28-E32 PolarHBondContact O-N 3.23Å
29D84.9Confident87.7Confident77 Ų7776.3 Ų76.341%0.41236%0.361SS..Hα-helixtrans-63.6-36.7177.6-56.6-33.4000111.1N27 C33 L58N27-D29 VanDerWaalsContact C-N 3.32Å; N27-D29 PolarHBondContact O-N 3.3Å; N27-D29 WeakPolarHBondContact OD1-CB 2.92Å; N27-D29 PolarHBondContact OD1-N 2.93Å; N27-D29 PolarHBondContact OD1-OD2 3.19Å; D29-C33 WeakPolarHBondContact O-CB 3.36Å; D29-C33 PolarHBondContact O-N 3.41Å; D29-L58 HydrophobicContact CB-CD1 4.5Å
30F89.9Confident87.4Confident5 Ų576.5 Ų76.52%0.02236%0.362CS..Hα-helixtrans-66.7-44.5174.3172.3-94.8000111.8I5 F6 H25 N27 Q28 E32 C33 R34 L58 I73I5-F30 HydrophobicContact CB-CE2 4.42Å; I5-F30 HydrophobicContact CG2-CD2 3.76Å; I5-F30 HydrophobicContact CG2-CE2 3.68Å; F6-F30 HydrophobicContact CB-CE2 3.57Å; F6-F30 HydrophobicContact CB-CZ 3.74Å; F6-F30 HydrophobicContact CD2-CZ 4.31Å; F6-F30 HydrophobicContact CG-CE2 4.34Å; F6-F30 HydrophobicContact CG-CZ 4.11Å; H25-F30 HydrophobicContact CB-CD1 3.44Å; H25-F30 VanDerWaalsContact CB-CD1 3.44Å; H25-F30 HydrophobicContact CB-CD2 4.48Å; H25-F30 HydrophobicContact CB-CE1 3.63Å; H25-F30 HydrophobicContact CB-CG 3.9Å; H25-F30 HydrophobicContact CB-CZ 4.23Å; H25-F30 AromaticContact CD2-CZ 3.83Å; N27-F30 HydrophobicContact CB-CB 4.09Å; N27-F30 WeakPolarHBondContact O-CB 3.33Å; N27-F30 PolarHBondContact O-N 3.35Å; N27-F30 VanDerWaalsContact O-N 3.16Å; Q28-F30 VanDerWaalsContact C-N 3.27Å; Q28-F30 PolarHBondContact O-N 3.44Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.18Å; F30-C33 PolarHBondContact O-N 3.29Å; F30-R34 VanDerWaalsContact O-CB 3.3Å; F30-R34 WeakPolarHBondContact O-CB 3.45Å; F30-R34 PolarHBondContact O-N 2.86Å; F30-L58 HydrophobicContact CB-CD1 4.12Å; F30-I73 HydrophobicContact CD2-CD1 4.34Å; F30-I73 HydrophobicContact CD2-CG2 4.35Å; F30-I73 HydrophobicContact CE2-CD1 3.88Å; F30-I73 HydrophobicContact CE2-CG2 4.45Å
31L89.9Confident87.2Confident91 Ų9176.2 Ų76.248%0.47636%0.359SS..Hα-helixtrans-62.2-39.1178.2-67.7175.3000111.5N27 Q28 K35N27-L31 PolarHBondContact O-N 3.46Å; Q28-L31 PolarHBondContact O-N 2.88Å; L31-K35 PolarHBondContact O-N 3.33Å
32E89.2Confident86.9Confident88 Ų8879.1 Ų79.141%0.41138%0.38SS..Hα-helixtrans-66.9-47.7174.5-173.2172.8-175.100111.7Q28 F30 R34 K35 R36Q28-E32 PolarHBondContact O-N 3.23Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.18Å; E32-R34 VanDerWaalsContact C-N 3.29Å; E32-R34 PolarHBondContact O-N 3.33Å; E32-K35 WeakPolarHBondContact O-CB 2.99Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E32-R36 VanDerWaalsContact CD-NH2 3.33Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 2.89Å; E32-R36 IonicContact OE1-CZ 3.15Å; E32-R36 IonicContact OE1-NE 2.79Å; E32-R36 PolarHBondContact OE1-NE 3.11Å; E32-R36 IonicContact OE1-NH2 2.63Å; E32-R36 PolarHBondContact OE1-NH2 3.04Å; E32-R36 IonicContact OE2-NH2 3.05Å
33C89.8Confident86.9Confident9 Ų975.6 Ų75.66%0.06136%0.358CS..Hα-helixtrans-58.1-41.4175.9-171.40000111.6D29 F30 K35 R36 L37 L58 I60 I73D29-C33 WeakPolarHBondContact O-CB 3.36Å; D29-C33 PolarHBondContact O-N 3.41Å; F30-C33 PolarHBondContact O-N 3.29Å; C33-K35 PolarHBondContact O-N 3.05Å; C33-R36 PolarHBondContact O-N 3.01Å; C33-L37 WeakPolarHBondContact O-CB 3.48Å; C33-L37 PolarHBondContact O-N 3.33Å; C33-L58 HydrophobicContact CB-CB 4.32Å; C33-L58 HydrophobicContact CB-CD1 3.75Å; C33-I60 VanDerWaalsContact SG-CG1 3.59Å; C33-I73 HydrophobicContact CB-CD1 4.47Å
34R91.7Very high87.1Confident91 Ų9173.7 Ų73.734%0.34335%0.347SS..Hα-helixtrans-64.1-37.7175.6-171.2177.7-177.2-177.33.7112.6F30 E32 L37 K38 I73F30-R34 VanDerWaalsContact O-CB 3.3Å; F30-R34 WeakPolarHBondContact O-CB 3.45Å; F30-R34 PolarHBondContact O-N 2.86Å; E32-R34 VanDerWaalsContact C-N 3.29Å; E32-R34 PolarHBondContact O-N 3.33Å; R34-L37 PolarHBondContact O-N 2.95Å; R34-K38 PolarHBondContact O-N 3.46Å; R34-I73 HydrophobicContact CB-CD1 4.1Å
35K90.9Very high87.8Confident119 Ų11967.1 Ų67.152%0.51733%0.332SS..Hα-helixtrans-63.8-43.1173.5-177.4-175169.7-156.30110.9L31 E32 C33 K38 T39L31-K35 PolarHBondContact O-N 3.33Å; E32-K35 WeakPolarHBondContact O-CB 2.99Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-K35 VanDerWaalsContact O-N 3.1Å; C33-K35 PolarHBondContact O-N 3.05Å; K35-K38 WeakPolarHBondContact O-CB 3.42Å; K35-K38 PolarHBondContact O-N 2.94Å; K35-T39 PolarHBondContact O-N 3.3Å; K35-T39 VanDerWaalsContact O-N 3.09Å; K35-T39 PolarHBondContact O-OG1 2.73Å
36R89.1Confident88.1Confident76 Ų7670.4 Ų70.429%0.28735%0.347SS..Hα-helixtrans-67.3-38.3177.7-62.9177.3-170.1-171.18.5111.8E32 C33 K38 T39 L40 I60 L155E32-R36 VanDerWaalsContact CD-NH2 3.33Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 2.89Å; E32-R36 IonicContact OE1-CZ 3.15Å; E32-R36 IonicContact OE1-NE 2.79Å; E32-R36 PolarHBondContact OE1-NE 3.11Å; E32-R36 IonicContact OE1-NH2 2.63Å; E32-R36 PolarHBondContact OE1-NH2 3.04Å; E32-R36 IonicContact OE2-NH2 3.05Å; C33-R36 PolarHBondContact O-N 3.01Å; R36-K38 VanDerWaalsContact C-N 3.3Å; R36-K38 PolarHBondContact O-N 3.02Å; R36-T39 PolarHBondContact O-N 3.5Å; R36-L40 WeakPolarHBondContact O-CB 3.41Å; R36-L40 PolarHBondContact O-N 2.88Å; R36-I60 HydrophobicContact CB-CD1 4.43Å; R36-L155 HydrophobicContact CB-CD2 3.6Å; R36-L155 HydrophobicContact CG-CD2 3.97Å; R36-L155 PolarHBondContact NH1-O 3.02Å
37L93.8Very high88.5Confident7 Ų763.4 Ų63.44%0.03732%0.315CS..Hα-helixtrans-56.8-44.1170.8-175.2154.1000111.3F6 C33 R34 L40 S41 I60 M71 I73F6-L37 HydrophobicContact CD1-CD1 4.23Å; F6-L37 HydrophobicContact CE1-CD1 4.23Å; F6-L37 HydrophobicContact CE1-CD2 4.43Å; C33-L37 WeakPolarHBondContact O-CB 3.48Å; C33-L37 PolarHBondContact O-N 3.33Å; R34-L37 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 3.25Å; L37-S41 PolarHBondContact O-N 2.67Å; L37-I60 HydrophobicContact CB-CD1 3.88Å; L37-I60 HydrophobicContact CB-CG1 4.44Å; L37-I60 HydrophobicContact CD1-CG2 4.01Å; L37-I60 HydrophobicContact CG-CG2 4.19Å; L37-M71 HydrophobicContact CD1-CB 4.1Å; L37-M71 HydrophobicContact CD2-CB 4.46Å; L37-M71 HydrophobicContact CD2-CE 4.28Å; L37-M71 HydrophobicContact CD2-SD 3.89Å; L37-M71 HydrophobicContact CG-CB 4.39Å; L37-M71 HydrophobicContact CG-CE 3.87Å; L37-M71 HydrophobicContact CG-SD 4.12Å; L37-I73 HydrophobicContact CD1-CD1 3.91Å; L37-I73 HydrophobicContact CD1-CG1 3.52Å
38K92.8Very high88.4Confident138 Ų13862.1 Ų62.160%0.631%0.312SS*.Hα-helixtrans-62-43.7176.1-173.7-176177.7-173.10111.8R34 K35 R36 S41 S42R34-K38 PolarHBondContact O-N 3.46Å; K35-K38 WeakPolarHBondContact O-CB 3.42Å; K35-K38 PolarHBondContact O-N 2.94Å; R36-K38 VanDerWaalsContact C-N 3.3Å; R36-K38 PolarHBondContact O-N 3.02Å; K38-S41 PolarHBondContact O-N 3.43Å; K38-S41 PolarHBondContact O-OG 3.39Å; K38-S42 PolarHBondContact O-N 3.02Å
39T90.9Very high88.4Confident34 Ų3458.1 Ų58.121%0.20930%0.301CS..Hα-helixtrans-60.1-49174.6-54.90000110.6K35 R36 S41 S42 L160 M161K35-T39 PolarHBondContact O-N 3.3Å; K35-T39 VanDerWaalsContact O-N 3.09Å; K35-T39 PolarHBondContact O-OG1 2.73Å; R36-T39 PolarHBondContact O-N 3.5Å; T39-S41 VanDerWaalsContact C-N 3.29Å; T39-S41 PolarHBondContact O-N 2.87Å; T39-S42 PolarHBondContact O-N 3.5Å; T39-S42 VanDerWaalsContact O-N 3.1Å; T39-S42 PolarHBondContact O-OG 2.92Å; T39-L160 HydrophobicContact CG2-CD2 3.76Å; T39-L160 HydrophobicContact CG2-CG 3.95Å; T39-M161 HydrophobicContact CG2-CE 3.96Å
40L91Very high88.5Confident3 Ų356.6 Ų56.62%0.01629%0.289CS..Hα-helixtrans-57.2-41.7178.3-178.160.1000111.9R36 L37 S42 V43 L44 Y47 A53 I60 F62 M71 L153 L160R36-L40 WeakPolarHBondContact O-CB 3.41Å; R36-L40 PolarHBondContact O-N 2.88Å; L37-L40 PolarHBondContact O-N 3.25Å; L40-S42 PolarHBondContact O-N 3.16Å; L40-S42 VanDerWaalsContact O-N 3.17Å; L40-V43 HydrophobicContact CD1-CG2 4.46Å; L40-V43 WeakPolarHBondContact O-CG2 3.27Å; L40-V43 PolarHBondContact O-N 3.45Å; L40-V43 VanDerWaalsContact O-N 3.09Å; L40-L44 HydrophobicContact CG-CD2 4.34Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.04Å; L40-Y47 HydrophobicContact CD1-CD2 4.14Å; L40-Y47 HydrophobicContact CD1-CE2 3.93Å; L40-A53 HydrophobicContact CD2-CB 4.48Å; L40-I60 HydrophobicContact CD2-CG2 4.1Å; L40-F62 HydrophobicContact CD1-CE1 4.49Å; L40-F62 HydrophobicContact CD2-CD1 3.84Å; L40-F62 HydrophobicContact CD2-CE1 4.07Å; L40-M71 HydrophobicContact CB-CE 4.09Å; L40-M71 HydrophobicContact CD2-CE 3.72Å; L40-M71 HydrophobicContact CG-CE 3.81Å; L40-L153 HydrophobicContact CD1-CD1 3.68Å; L40-L153 HydrophobicContact CD2-CD1 4.42Å; L40-L160 HydrophobicContact CB-CD2 4.25Å; L40-L160 HydrophobicContact CD1-CD1 3.93Å
41S93.1Very high88.4Confident5 Ų556.3 Ų56.34%0.03529%0.288CS..Hα-helixtrans-57.3-31.7178.665.80000113.9G15 L37 K38 T39 V43G15-S41 WeakPolarHBondContact CA-O 3.4Å; L37-S41 PolarHBondContact O-N 2.67Å; K38-S41 PolarHBondContact O-N 3.43Å; K38-S41 PolarHBondContact O-OG 3.39Å; T39-S41 VanDerWaalsContact C-N 3.29Å; T39-S41 PolarHBondContact O-N 2.87Å; S41-V43 VanDerWaalsContact C-N 3.31Å; S41-V43 PolarHBondContact O-N 2.96Å
42S90.4Very high88.4Confident64 Ų6452.1 Ų52.145%0.44827%0.266SS..Hα-helixtrans-76-17.4-179.166.90000114.3K38 T39 L40K38-S42 PolarHBondContact O-N 3.02Å; T39-S42 PolarHBondContact O-N 3.5Å; T39-S42 VanDerWaalsContact O-N 3.1Å; T39-S42 PolarHBondContact O-OG 2.92Å; L40-S42 PolarHBondContact O-N 3.16Å; L40-S42 VanDerWaalsContact O-N 3.17Å
43V87.1Confident88.4Confident17 Ų1748.1 Ų48.110%0.10325%0.249CC..THydrogen-bonded Turntrans-11810.7-177.5-66.10000112.5L40 S41 A45 Q46 Y47 L160L40-V43 HydrophobicContact CD1-CG2 4.46Å; L40-V43 WeakPolarHBondContact O-CG2 3.27Å; L40-V43 PolarHBondContact O-N 3.45Å; L40-V43 VanDerWaalsContact O-N 3.09Å; S41-V43 VanDerWaalsContact C-N 3.31Å; S41-V43 PolarHBondContact O-N 2.96Å; V43-A45 PolarHBondContact O-N 3.31Å; V43-A45 VanDerWaalsContact O-N 3.13Å; V43-Q46 WeakPolarHBondContact O-CB 3.48Å; V43-Q46 PolarHBondContact O-N 2.99Å; V43-Y47 HydrophobicContact CB-CE2 4.33Å; V43-Y47 HydrophobicContact CG2-CD2 4.42Å; V43-Y47 HydrophobicContact CG2-CE2 3.76Å; V43-Y47 WeakPolarHBondContact O-CD2 3.47Å; V43-L160 HydrophobicContact CG2-CD1 3.6Å; V43-L160 HydrophobicContact CG2-CG 4.29Å
44L86.3Confident88.1Confident1 Ų154.2 Ų54.21%0.00527%0.274CS..G310 helixtrans-56.4-31.5-178.4-81.3173.2000113.6V10 V12 L40 Q46 Y47 F62 A69 M71V10-L44 HydrophobicContact CG2-CD1 3.66Å; V12-L44 HydrophobicContact CG1-CB 4.46Å; L40-L44 HydrophobicContact CG-CD2 4.34Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.04Å; L44-Q46 PolarHBondContact O-N 3.03Å; L44-Q46 VanDerWaalsContact O-N 3.16Å; L44-Y47 PolarHBondContact O-N 2.99Å; L44-Y47 VanDerWaalsContact O-N 3.08Å; L44-F62 HydrophobicContact CD2-CB 4.22Å; L44-F62 HydrophobicContact CD2-CD1 4.19Å; L44-F62 HydrophobicContact CD2-CD2 3.44Å; L44-F62 VanDerWaalsContact CD2-CD2 3.44Å; L44-F62 HydrophobicContact CD2-CE1 4.4Å; L44-F62 HydrophobicContact CD2-CE2 3.7Å; L44-F62 HydrophobicContact CD2-CG 3.69Å; L44-F62 HydrophobicContact CD2-CZ 4.17Å; L44-A69 HydrophobicContact CD1-CB 3.6Å; L44-M71 HydrophobicContact CD1-CE 4.4Å; L44-M71 HydrophobicContact CD1-CG 4.49Å; L44-M71 HydrophobicContact CD1-SD 3.92Å; L44-M71 HydrophobicContact CD2-CE 4.41Å
45A85.7Confident87.6Confident71 Ų7151 Ų5159%0.58727%0.27SS*.G310 helixtrans-61.5-19.6176.500000113.8V12 V43V12-A45 HydrophobicContact CG1-CB 4.1Å; V43-A45 PolarHBondContact O-N 3.31Å; V43-A45 VanDerWaalsContact O-N 3.13Å
46Q83.1Confident87.1Confident131 Ų13155.8 Ų55.861%0.61228%0.284SS*.G310 helixtrans-88.4-11.3178.6-55.4177.315.100112.7V43 L44V43-Q46 WeakPolarHBondContact O-CB 3.48Å; V43-Q46 PolarHBondContact O-N 2.99Å; L44-Q46 PolarHBondContact O-N 3.03Å; L44-Q46 VanDerWaalsContact O-N 3.16Å
47Y79.8Confident87Confident60 Ų6056.4 Ų56.424%0.23529%0.293CS..SBendtrans-107.4156.7-177.7-67.5-72.7000110.8L40 V43 L44 F62 L153 L160L40-Y47 HydrophobicContact CD1-CD2 4.14Å; L40-Y47 HydrophobicContact CD1-CE2 3.93Å; V43-Y47 HydrophobicContact CB-CE2 4.33Å; V43-Y47 HydrophobicContact CG2-CD2 4.42Å; V43-Y47 HydrophobicContact CG2-CE2 3.76Å; V43-Y47 WeakPolarHBondContact O-CD2 3.47Å; L44-Y47 PolarHBondContact O-N 2.99Å; L44-Y47 VanDerWaalsContact O-N 3.08Å; Y47-F62 HydrophobicContact CG-CZ 4.46Å; Y47-L153 HydrophobicContact CD1-CD1 4.26Å; Y47-L153 HydrophobicContact CD1-CD2 3.92Å; Y47-L153 HydrophobicContact CE1-CD1 4.04Å; Y47-L153 HydrophobicContact CE1-CD2 3.4Å; Y47-L153 HydrophobicContact CE1-CG 4.37Å; Y47-L160 HydrophobicContact CE2-CD1 4Å; Y47-L160 VanDerWaalsContact OH-CD1 3.32Å; Y47-L160 WeakPolarHBondContact OH-CD1 3.37Å
48P81.7Confident86.9Confident65 Ų6557 Ų5742%0.42230%0.296SS..  trans-66.1172.6174.226.7-32.1000111.6R50 F62 V151P48-R50 PolarHBondContact O-N 2.93Å; P48-F62 WeakPolarHBondContact O-CE2 3.31Å; P48-V151 HydrophobicContact CG-CB 4.03Å; P48-V151 HydrophobicContact CG-CG2 3.22Å
49S85.1Confident86.9Confident69 Ų6950.7 Ų50.748%0.48327%0.27SS..SBendtrans-59.2-20.2-17457.80000115L63 S64S49-L63 CarbonylContact O-C 3.56Å; S49-L63 VanDerWaalsContact O-CA 3.28Å; S49-L63 WeakPolarHBondContact O-CA 3.37Å; S49-S64 WeakPolarHBondContact CB-O 3.32Å; S49-S64 PolarHBondContact O-N 3.13Å
50R86.7Confident87.1Confident44 Ų4449.1 Ų49.117%0.16626%0.26CS..EExtended strand (participates in β ladder)trans-135.3136.5-179.2-69.1177.9-176.4169.41.2110.9P48 F62 L63 F84 E88 E144 P150 V151P48-R50 PolarHBondContact O-N 2.93Å; R50-F62 WeakPolarHBondContact CA-O 3.37Å; R50-L63 HydrophobicContact CG-CD1 3.33Å; R50-L63 VanDerWaalsContact NE-CD1 3.28Å; R50-F84 HydrophobicContact CB-CE1 4.04Å; R50-F84 HydrophobicContact CG-CD1 4.48Å; R50-F84 HydrophobicContact CG-CE1 4.2Å; R50-E88 IonicContact CZ-OE1 3.25Å; R50-E88 IonicContact NH2-OE1 2.79Å; R50-E88 PolarHBondContact NH2-OE1 3.16Å; R50-E144 IonicContact CZ-OE2 2.68Å; R50-E144 VanDerWaalsContact CZ-OE2 3.25Å; R50-E144 IonicContact NH1-OE2 3.8Å; R50-E144 PolarHBondContact NH1-OE2 3.2Å; R50-E144 IonicContact NH2-OE2 3.85Å; R50-E144 PolarHBondContact NH2-OE2 2.86Å; R50-P150 HydrophobicContact CB-CB 4.43Å; R50-V151 PolarHBondContact O-N 2.66Å
51G87.9Confident87.3Confident0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-157.8163.2174.300000113.7F62 V151G51-F62 VanDerWaalsContact CA-CZ 3.44Å; G51-F62 PolarHBondContact N-O 2.96Å; G51-F62 VanDerWaalsContact N-O 3.16Å; G51-F62 PolarHBondContact O-N 3.38Å; G51-V151 CarbonylContact C-O 3.57Å; G51-V151 WeakPolarHBondContact CA-O 3.26Å
52T89.8Confident87.5Confident2 Ų248.9 Ų48.91%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-135121.2177-62.40000108.9K54 I60 H61 V151 Q152 L153T52-K54 HydrophobicContact CG2-CG 3.88Å; T52-I60 CarbonylContact C-O 3.58Å; T52-I60 VanDerWaalsContact CA-O 3.3Å; T52-I60 WeakPolarHBondContact CA-O 3.37Å; T52-H61 WeakPolarHBondContact CG2-CE1 3.42Å; T52-H61 WeakPolarHBondContact CG2-ND1 3.43Å; T52-H61 PolarHBondContact OG1-ND1 3.44Å; T52-V151 PolarHBondContact N-O 3.38Å; T52-Q152 WeakPolarHBondContact O-CA 3.32Å; T52-L153 PolarHBondContact O-N 3.47Å
53A89.8Confident87.7Confident5 Ų546.1 Ų46.14%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-98111.8168.500000108.6L40 S59 I60 L153 L155L40-A53 HydrophobicContact CD2-CB 4.48Å; A53-S59 CarbonylContact O-C 3.41Å; A53-S59 WeakPolarHBondContact O-CA 3.37Å; A53-I60 HydrophobicContact CB-CB 4.17Å; A53-I60 PolarHBondContact N-O 2.99Å; A53-I60 PolarHBondContact O-N 3.45Å; A53-L153 VanDerWaalsContact CA-O 3.3Å; A53-L153 WeakPolarHBondContact CA-O 3.49Å; A53-L153 HydrophobicContact CB-CB 3.96Å; A53-L155 HydrophobicContact CB-CD1 4.09Å; A53-L155 HydrophobicContact CB-CG 3.89Å; A53-L155 WeakPolarHBondContact O-CD1 3.4Å
54K83.9Confident87.9Confident136 Ų13646 Ų4659%0.59124%0.239SC*.EExtended strand (participates in β ladder)trans-91.8125.5-178.5-69.7-170.4179.3178.90110.9T52 L153 L155T52-K54 HydrophobicContact CG2-CG 3.88Å; K54-L153 PolarHBondContact N-O 3.38Å; K54-L155 WeakPolarHBondContact O-CB 3.38Å
55G80.9Confident88Confident25 Ų2549 Ų4926%0.25826%0.259SS..  trans-107.7-169.2168.400000110.7L58 L155G55-L58 CarbonylContact C-O 3.52Å; G55-L58 WeakPolarHBondContact CA-O 3.07Å; G55-L58 PolarHBondContact N-O 2.98Å; G55-L155 VanDerWaalsContact N-CD1 3.29Å
56R80.1Confident88Confident218 Ų21848.8 Ų48.882%0.82326%0.264SS*.SBendtrans-68.2-64.8-179.2-171-178.2-66.5-175.3-0.1111.6S76R56-S76 PolarHBondContact O-OG 2.88Å; R56-S76 VanDerWaalsContact O-OG 3.13Å
57D87.5Confident88.3Confident89 Ų8945.7 Ų45.748%0.47625%0.252SS..SBendtrans-104.2-17.6-176.7-58.4-58.6000113S76D57-S76 PolarHBondContact O-N 2.97Å; D57-S76 PolarHBondContact O-OG 3.1Å
58L92.1Very high89Confident20 Ų2043.3 Ų43.311%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-127.8148.4-176.3-60.6178.8000110.7I5 D29 F30 C33 G55 I73 C74I5-L58 HydrophobicContact CD1-CD2 3.31Å; D29-L58 HydrophobicContact CB-CD1 4.5Å; F30-L58 HydrophobicContact CB-CD1 4.12Å; C33-L58 HydrophobicContact CB-CB 4.32Å; C33-L58 HydrophobicContact CB-CD1 3.75Å; G55-L58 CarbonylContact C-O 3.52Å; G55-L58 WeakPolarHBondContact CA-O 3.07Å; G55-L58 PolarHBondContact N-O 2.98Å; L58-I73 HydrophobicContact CB-CG2 4.2Å; L58-I73 HydrophobicContact CD1-CG2 4.16Å; L58-I73 HydrophobicContact CD2-CG2 4.26Å; L58-I73 HydrophobicContact CG-CG2 4.46Å; L58-C74 CarbonylContact C-O 3.51Å; L58-C74 WeakPolarHBondContact CA-O 3.39Å
59S92.1Very high89.7Confident5 Ų540.2 Ų40.24%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-130.5144.6175.953.40000109.7A53 H61 I73 C74A53-S59 CarbonylContact O-C 3.41Å; A53-S59 WeakPolarHBondContact O-CA 3.37Å; S59-H61 PolarHBondContact OG-NE2 2.82Å; S59-I73 WeakPolarHBondContact O-CA 3.23Å; S59-C74 PolarHBondContact N-O 2.98Å; S59-C74 PolarHBondContact O-N 3.42Å; S59-C74 PolarHBondContact OG-O 2.95Å
60I95.2Very high90.4Very high1 Ų137 Ų371%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-106126.5174.8-57165.6000107.5C33 R36 L37 L40 T52 A53 M71 A72 I73 L155C33-I60 VanDerWaalsContact SG-CG1 3.59Å; R36-I60 HydrophobicContact CB-CD1 4.43Å; L37-I60 HydrophobicContact CB-CD1 3.88Å; L37-I60 HydrophobicContact CB-CG1 4.44Å; L37-I60 HydrophobicContact CD1-CG2 4.01Å; L37-I60 HydrophobicContact CG-CG2 4.19Å; L40-I60 HydrophobicContact CD2-CG2 4.1Å; T52-I60 CarbonylContact C-O 3.58Å; T52-I60 VanDerWaalsContact CA-O 3.3Å; T52-I60 WeakPolarHBondContact CA-O 3.37Å; A53-I60 HydrophobicContact CB-CB 4.17Å; A53-I60 PolarHBondContact N-O 2.99Å; A53-I60 PolarHBondContact O-N 3.45Å; I60-M71 HydrophobicContact CG2-CE 4.15Å; I60-A72 CarbonylContact C-O 3.58Å; I60-A72 VanDerWaalsContact CA-O 3.3Å; I60-A72 WeakPolarHBondContact CA-O 3.4Å; I60-I73 HydrophobicContact CG1-CG1 4.4Å; I60-L155 HydrophobicContact CD1-CD1 4.29Å; I60-L155 HydrophobicContact CD1-CD2 3.99Å; I60-L155 HydrophobicContact CD1-CG 4.49Å; I60-L155 HydrophobicContact CG1-CD1 4.46Å
61H95.6Very high90.9Very high4 Ų434.9 Ų34.92%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-113.3141.1171.1-58.7-83.6000108.8T52 S59 M71 A72 A83 L87T52-H61 WeakPolarHBondContact CG2-CE1 3.42Å; T52-H61 WeakPolarHBondContact CG2-ND1 3.43Å; T52-H61 PolarHBondContact OG1-ND1 3.44Å; S59-H61 PolarHBondContact OG-NE2 2.82Å; H61-M71 CarbonylContact O-C 3.44Å; H61-M71 VanDerWaalsContact O-CA 3.27Å; H61-M71 WeakPolarHBondContact O-CA 3.31Å; H61-A72 PolarHBondContact N-O 3.29Å; H61-A72 PolarHBondContact O-N 3.46Å; H61-A83 HydrophobicContact CB-CB 4.15Å; H61-L87 HydrophobicContact CB-CD1 3.85Å
62F96.1Very high91.3Very high0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-137147.5174.568.9-93.4000112L40 L44 Y47 P48 R50 G51 C70 M71 F84 L153L40-F62 HydrophobicContact CD1-CE1 4.49Å; L40-F62 HydrophobicContact CD2-CD1 3.84Å; L40-F62 HydrophobicContact CD2-CE1 4.07Å; L44-F62 HydrophobicContact CD2-CB 4.22Å; L44-F62 HydrophobicContact CD2-CD1 4.19Å; L44-F62 HydrophobicContact CD2-CD2 3.44Å; L44-F62 VanDerWaalsContact CD2-CD2 3.44Å; L44-F62 HydrophobicContact CD2-CE1 4.4Å; L44-F62 HydrophobicContact CD2-CE2 3.7Å; L44-F62 HydrophobicContact CD2-CG 3.69Å; L44-F62 HydrophobicContact CD2-CZ 4.17Å; Y47-F62 HydrophobicContact CG-CZ 4.46Å; P48-F62 WeakPolarHBondContact O-CE2 3.31Å; R50-F62 WeakPolarHBondContact CA-O 3.37Å; G51-F62 VanDerWaalsContact CA-CZ 3.44Å; G51-F62 PolarHBondContact N-O 2.96Å; G51-F62 VanDerWaalsContact N-O 3.16Å; G51-F62 PolarHBondContact O-N 3.38Å; F62-C70 CarbonylContact C-O 3.58Å; F62-C70 VanDerWaalsContact CA-O 3.3Å; F62-C70 WeakPolarHBondContact CA-O 3.36Å; F62-M71 HydrophobicContact CB-CB 4.45Å; F62-M71 HydrophobicContact CB-CE 4.1Å; F62-M71 HydrophobicContact CB-CG 3.86Å; F62-F84 WeakPolarHBondContact O-CE1 3.27Å; F62-L153 HydrophobicContact CE1-CD1 3.97Å
63L94.8Very high91.6Very high6 Ų634.8 Ų34.83%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-136.4112176.6175.271.6000108.8S49 R50 A69 C70 L87 E88S49-L63 CarbonylContact O-C 3.56Å; S49-L63 VanDerWaalsContact O-CA 3.28Å; S49-L63 WeakPolarHBondContact O-CA 3.37Å; R50-L63 HydrophobicContact CG-CD1 3.33Å; R50-L63 VanDerWaalsContact NE-CD1 3.28Å; L63-A69 CarbonylContact O-C 3.56Å; L63-A69 VanDerWaalsContact O-CA 3.27Å; L63-A69 WeakPolarHBondContact O-CA 3.44Å; L63-C70 PolarHBondContact N-O 3.43Å; L63-C70 PolarHBondContact O-N 2.96Å; L63-L87 HydrophobicContact CB-CB 3.88Å; L63-L87 HydrophobicContact CB-CD1 4.06Å; L63-L87 HydrophobicContact CD2-CB 4.07Å; L63-E88 HydrophobicContact CD2-CB 4.25Å; L63-E88 HydrophobicContact CD2-CG 3.48Å; L63-E88 VanDerWaalsContact CD2-CG 3.48Å
64S91.4Very high91.8Very high15 Ų1534.5 Ų34.511%0.10519%0.19CC..EExtended strand (participates in β ladder)trans-96.4136.4175.5-48.40000110.6S49 I68S49-S64 WeakPolarHBondContact CB-O 3.32Å; S49-S64 PolarHBondContact O-N 3.13Å; S64-I68 WeakPolarHBondContact CA-O 3.27Å
65S88Confident92.2Very high62 Ų6228.8 Ų28.843%0.43417%0.167SC..EExtended strand (participates in β ladder)trans-147.3119.6170.5-175.50000109.4D67 I68 Q91S65-D67 PolarHBondContact O-N 3.24Å; S65-I68 PolarHBondContact N-O 3.19Å; S65-I68 WeakPolarHBondContact O-CG1 3.28Å; S65-I68 PolarHBondContact O-N 2.85Å; S65-I68 VanDerWaalsContact O-O 3.12Å; S65-Q91 VanDerWaalsContact CB-OE1 3.26Å
66G86.3Confident92.6Very high68 Ų6830.7 Ų30.770%0.70118%0.176SC*.THydrogen-bonded Turntrans57.6-129.2-172.200000111.9I68G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.4Å
67D89.1Confident93Very high65 Ų6524.3 Ų24.335%0.34817%0.165SC..THydrogen-bonded Turntrans-82.5-5.4-175.5-66.4-33.2000114.2R11 V12 S65 N104R11-D67 CarbonylContact C-O 3.47Å; R11-D67 WeakPolarHBondContact CA-O 3.38Å; R11-D67 WeakPolarHBondContact CG-O 3.18Å; V12-D67 PolarHBondContact N-O 3.26Å; S65-D67 PolarHBondContact O-N 3.24Å; D67-N104 PolarHBondContact OD2-ND2 2.85Å
68I95.6Very high93.1Very high11 Ų1121.2 Ų21.26%0.05615%0.147CC..EExtended strand (participates in β ladder)trans-120.8153.1-175.767.2170.1000112.5V9 V10 V12 L18 S64 S65 G66 Q91 F94 I103V9-I68 HydrophobicContact CG1-CB 4.4Å; V10-I68 CarbonylContact O-C 3.55Å; V10-I68 WeakPolarHBondContact O-CA 3.08Å; V12-I68 WeakPolarHBondContact CG2-O 3.48Å; L18-I68 HydrophobicContact CD1-CG2 3.86Å; S64-I68 WeakPolarHBondContact CA-O 3.27Å; S65-I68 PolarHBondContact N-O 3.19Å; S65-I68 WeakPolarHBondContact O-CG1 3.28Å; S65-I68 PolarHBondContact O-N 2.85Å; S65-I68 VanDerWaalsContact O-O 3.12Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.4Å; I68-Q91 HydrophobicContact CD1-CG 4.47Å; I68-F94 HydrophobicContact CD1-CB 4.45Å; I68-F94 HydrophobicContact CD1-CD1 3.57Å; I68-F94 HydrophobicContact CD1-CE1 4.26Å; I68-F94 HydrophobicContact CD1-CG 4.36Å; I68-F94 HydrophobicContact CG2-CE1 4.18Å; I68-I103 HydrophobicContact CG2-CD1 4.12Å; I68-I103 HydrophobicContact CG2-CG2 3.74Å
69A96.5Very high93Very high0 Ų022.4 Ų22.40%016%0.157CC..EExtended strand (participates in β ladder)trans-132.7136.3168.600000110.8V9 V10 V12 L44 L63V9-A69 WeakPolarHBondContact CA-O 3.2Å; V10-A69 HydrophobicContact CG2-CB 3.94Å; V10-A69 PolarHBondContact N-O 3.47Å; V10-A69 PolarHBondContact O-N 3.35Å; V12-A69 HydrophobicContact CG2-CB 3.89Å; L44-A69 HydrophobicContact CD1-CB 3.6Å; L63-A69 CarbonylContact O-C 3.56Å; L63-A69 VanDerWaalsContact O-CA 3.27Å; L63-A69 WeakPolarHBondContact O-CA 3.44Å
70C98Very high92.8Very high0 Ų024 Ų240%017%0.17CC..EExtended strand (participates in β ladder)trans-93.9135.1168.4-620000108.3C8 F62 L63 L87 L90C8-C70 WeakPolarHBondContact O-CA 3.36Å; F62-C70 CarbonylContact C-O 3.58Å; F62-C70 VanDerWaalsContact CA-O 3.3Å; F62-C70 WeakPolarHBondContact CA-O 3.36Å; L63-C70 PolarHBondContact N-O 3.43Å; L63-C70 PolarHBondContact O-N 2.96Å; C70-L87 HydrophobicContact CB-CB 4.3Å; C70-L87 HydrophobicContact CB-CD2 3.74Å; C70-L90 HydrophobicContact CB-CB 4.5Å
71M97.9Very high92.4Very high0 Ų025.3 Ų25.30%018%0.177CC..EExtended strand (participates in β ladder)trans-129.7146.3177.8-51.3-17980.300110.2A7 C8 V10 L37 L40 L44 I60 H61 F62A7-M71 CarbonylContact C-O 3.53Å; A7-M71 VanDerWaalsContact CA-O 3.27Å; A7-M71 WeakPolarHBondContact CA-O 3.42Å; C8-M71 PolarHBondContact N-O 2.87Å; C8-M71 PolarHBondContact O-N 3.37Å; V10-M71 HydrophobicContact CG1-SD 4.42Å; V10-M71 HydrophobicContact CG2-CG 4.41Å; V10-M71 HydrophobicContact CG2-SD 4.04Å; L37-M71 HydrophobicContact CD1-CB 4.1Å; L37-M71 HydrophobicContact CD2-CB 4.46Å; L37-M71 HydrophobicContact CD2-CE 4.28Å; L37-M71 HydrophobicContact CD2-SD 3.89Å; L37-M71 HydrophobicContact CG-CB 4.39Å; L37-M71 HydrophobicContact CG-CE 3.87Å; L37-M71 HydrophobicContact CG-SD 4.12Å; L40-M71 HydrophobicContact CB-CE 4.09Å; L40-M71 HydrophobicContact CD2-CE 3.72Å; L40-M71 HydrophobicContact CG-CE 3.81Å; L44-M71 HydrophobicContact CD1-CE 4.4Å; L44-M71 HydrophobicContact CD1-CG 4.49Å; L44-M71 HydrophobicContact CD1-SD 3.92Å; L44-M71 HydrophobicContact CD2-CE 4.41Å; I60-M71 HydrophobicContact CG2-CE 4.15Å; H61-M71 CarbonylContact O-C 3.44Å; H61-M71 VanDerWaalsContact O-CA 3.27Å; H61-M71 WeakPolarHBondContact O-CA 3.31Å; F62-M71 HydrophobicContact CB-CB 4.45Å; F62-M71 HydrophobicContact CB-CE 4.1Å; F62-M71 HydrophobicContact CB-CG 3.86Å
72A97.3Very high92.1Very high0 Ų026.7 Ų26.70%018%0.184CC..EExtended strand (participates in β ladder)trans-137.214417800000111.5I4 F6 I60 H61 F86 L87I4-A72 HydrophobicContact CG2-CB 4.39Å; F6-A72 CarbonylContact O-C 3.55Å; F6-A72 VanDerWaalsContact O-CA 3.27Å; F6-A72 WeakPolarHBondContact O-CA 3.46Å; I60-A72 CarbonylContact C-O 3.58Å; I60-A72 VanDerWaalsContact CA-O 3.3Å; I60-A72 WeakPolarHBondContact CA-O 3.4Å; H61-A72 PolarHBondContact N-O 3.29Å; H61-A72 PolarHBondContact O-N 3.46Å; A72-F86 HydrophobicContact CB-CD1 4.12Å; A72-F86 HydrophobicContact CB-CE1 3.91Å; A72-L87 HydrophobicContact CB-CD2 3.86Å
73I95.9Very high91.9Very high0 Ų026.7 Ų26.70%018%0.184CC..EExtended strand (participates in β ladder)trans-102.6120.6166-57.7175.3000107.6I5 F6 F30 C33 R34 L37 L58 S59 I60I5-I73 WeakPolarHBondContact CB-O 3.46Å; I5-I73 PolarHBondContact N-O 2.79Å; F6-I73 HydrophobicContact CB-CB 4.18Å; F6-I73 HydrophobicContact CB-CD1 4.26Å; F6-I73 HydrophobicContact CB-CG1 4.39Å; F6-I73 HydrophobicContact CD1-CD1 3.89Å; F6-I73 HydrophobicContact CD1-CG1 4.1Å; F6-I73 HydrophobicContact CG-CD1 4.4Å; F6-I73 PolarHBondContact N-O 2.76Å; F6-I73 PolarHBondContact O-N 3.44Å; F30-I73 HydrophobicContact CD2-CD1 4.34Å; F30-I73 HydrophobicContact CD2-CG2 4.35Å; F30-I73 HydrophobicContact CE2-CD1 3.88Å; F30-I73 HydrophobicContact CE2-CG2 4.45Å; C33-I73 HydrophobicContact CB-CD1 4.47Å; R34-I73 HydrophobicContact CB-CD1 4.1Å; L37-I73 HydrophobicContact CD1-CD1 3.91Å; L37-I73 HydrophobicContact CD1-CG1 3.52Å; L58-I73 HydrophobicContact CB-CG2 4.2Å; L58-I73 HydrophobicContact CD1-CG2 4.16Å; L58-I73 HydrophobicContact CD2-CG2 4.26Å; L58-I73 HydrophobicContact CG-CG2 4.46Å; S59-I73 WeakPolarHBondContact O-CA 3.23Å; I60-I73 HydrophobicContact CG1-CG1 4.4Å
74C94Very high91.8Very high0 Ų026.4 Ų26.40%018%0.182CC..EExtended strand (participates in β ladder)trans-122154.4-179.8-56.60000110.1M3 L58 S59 Y78M3-C74 WeakPolarHBondContact O-CA 3.35Å; L58-C74 CarbonylContact C-O 3.51Å; L58-C74 WeakPolarHBondContact CA-O 3.39Å; S59-C74 PolarHBondContact N-O 2.98Å; S59-C74 PolarHBondContact O-N 3.42Å; S59-C74 PolarHBondContact OG-O 2.95Å; C74-Y78 HydrophobicContact CB-CD1 4.15Å; C74-Y78 HydrophobicContact CB-CG 4.2Å
75S92.6Very high91.7Very high16 Ų1625.8 Ų25.811%0.11218%0.178CC..EExtended strand (participates in β ladder)trans-55.3142.9163.1-54.50000109.9M1 M3 S77 Y78M1-S75 PolarHBondContact O-OG 3.44Å; M3-S75 PolarHBondContact O-N 3.07Å; M3-S75 PolarHBondContact O-OG 3.11Å; S75-S77 PolarHBondContact O-N 3.27Å; S75-S77 VanDerWaalsContact O-N 3.1Å; S75-Y78 WeakPolarHBondContact O-CB 3.43Å; S75-Y78 PolarHBondContact O-N 2.79Å
76S88.4Confident92Very high64 Ų6422.9 Ų22.945%0.44816%0.158SC..THydrogen-bonded Turntrans-61.4-21.2-179.756.30000113.7R56 D57 Y78R56-S76 PolarHBondContact O-OG 2.88Å; R56-S76 VanDerWaalsContact O-OG 3.13Å; D57-S76 PolarHBondContact O-N 2.97Å; D57-S76 PolarHBondContact O-OG 3.1Å; S76-Y78 VanDerWaalsContact C-N 3.31Å
77S88Confident92.5Very high85 Ų8519.6 Ų19.659%0.59412%0.124SC*.THydrogen-bonded Turntrans-82.50.7172550000114.4S2 S75S2-S77 VanDerWaalsContact OG-C 3.27Å; S2-S77 PolarHBondContact OG-O 2.69Å; S75-S77 PolarHBondContact O-N 3.27Å; S75-S77 VanDerWaalsContact O-N 3.1Å
78Y90.1Very high92.6Very high24 Ų2418 Ų189%0.09412%0.115CC..SBendtrans-78.8138.4175.7-160.8-100.1000111S2 I4 C74 S75 S76 A80 M82 A83 F126S2-Y78 WeakPolarHBondContact OG-CA 3.39Å; S2-Y78 WeakPolarHBondContact OG-CD2 3.37Å; S2-Y78 PolarHBondContact OG-N 2.98Å; I4-Y78 HydrophobicContact CD1-CE1 3.91Å; I4-Y78 HydrophobicContact CG1-CD1 4.21Å; I4-Y78 HydrophobicContact CG1-CE1 3.61Å; I4-Y78 HydrophobicContact CG1-CE2 4.08Å; C74-Y78 HydrophobicContact CB-CD1 4.15Å; C74-Y78 HydrophobicContact CB-CG 4.2Å; S75-Y78 WeakPolarHBondContact O-CB 3.43Å; S75-Y78 PolarHBondContact O-N 2.79Å; S76-Y78 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 3.29Å; Y78-M82 HydrophobicContact CD1-CB 4.37Å; Y78-M82 HydrophobicContact CE1-CB 3.56Å; Y78-A83 HydrophobicContact CD1-CB 4.14Å; Y78-A83 HydrophobicContact CE1-CB 4.26Å; Y78-F126 PolarHBondContact OH-O 3.45Å
79S89.6Confident92.5Very high45 Ų4520.2 Ų20.232%0.31513%0.125SC..  trans-65.2123.1-179.2172.90000109.8I81 M82 A83S79-I81 PolarHBondContact O-N 2.85Å; S79-M82 WeakPolarHBondContact O-CB 3.43Å; S79-M82 PolarHBondContact O-N 2.86Å; S79-A83 PolarHBondContact O-N 2.84Å
80A88.4Confident92.5Very high38 Ų3820.2 Ų20.231%0.31413%0.125SC..Hα-helixtrans-57.7-38.5177.600000111.5Y78 M82 A83 F84Y78-A80 PolarHBondContact O-N 3.29Å; A80-M82 VanDerWaalsContact C-N 3.32Å; A80-M82 PolarHBondContact O-N 3.48Å; A80-A83 WeakPolarHBondContact O-CB 3.33Å; A80-A83 PolarHBondContact O-N 3.16Å; A80-A83 VanDerWaalsContact O-N 3.16Å; A80-F84 WeakPolarHBondContact O-CD2 3.38Å; A80-F84 PolarHBondContact O-N 2.84Å
81I87.1Confident92.3Very high29 Ų2921.8 Ų21.815%0.14913%0.132CC..Hα-helixtrans-60.6-44.9176.7-59.7160.5000109.8S79 A83 F84 C85 W138 I141 Q142 L145S79-I81 PolarHBondContact O-N 2.85Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.16Å; I81-F84 PolarHBondContact O-N 3.08Å; I81-C85 PolarHBondContact O-N 2.87Å; I81-C85 PolarHBondContact O-SG 2.92Å; I81-W138 HydrophobicContact CB-CE3 3.77Å; I81-W138 HydrophobicContact CB-CH2 3.98Å; I81-W138 HydrophobicContact CB-CZ3 3.38Å; I81-W138 HydrophobicContact CD1-CE3 4.41Å; I81-W138 HydrophobicContact CD1-CH2 3.3Å; I81-W138 HydrophobicContact CD1-CZ2 3.75Å; I81-W138 HydrophobicContact CD1-CZ3 3.7Å; I81-W138 HydrophobicContact CG1-CH2 4.21Å; I81-W138 HydrophobicContact CG1-CZ3 4.12Å; I81-W138 HydrophobicContact CG2-CD2 3.83Å; I81-W138 HydrophobicContact CG2-CE3 3.19Å; I81-W138 HydrophobicContact CG2-CH2 4.14Å; I81-W138 HydrophobicContact CG2-CZ3 3.4Å; I81-W138 VanDerWaalsContact CG2-CZ3 3.4Å; I81-I141 HydrophobicContact CG2-CB 4.39Å; I81-I141 HydrophobicContact CG2-CG2 4.01Å; I81-Q142 HydrophobicContact CD1-CB 4.15Å; I81-Q142 HydrophobicContact CD1-CG 3.89Å; I81-Q142 HydrophobicContact CG2-CB 4.46Å; I81-L145 HydrophobicContact CB-CD1 4.31Å; I81-L145 HydrophobicContact CG1-CD1 3.75Å
82M89.1Confident92Very high32 Ų3231.2 Ų31.216%0.15817%0.168CC..Hα-helixtrans-64.4-36.2176.7-64-55.1-63.200112.4Y78 S79 A80 C85 F86 F126 M134 W138Y78-M82 HydrophobicContact CD1-CB 4.37Å; Y78-M82 HydrophobicContact CE1-CB 3.56Å; S79-M82 WeakPolarHBondContact O-CB 3.43Å; S79-M82 PolarHBondContact O-N 2.86Å; A80-M82 VanDerWaalsContact C-N 3.32Å; A80-M82 PolarHBondContact O-N 3.48Å; M82-C85 PolarHBondContact O-N 2.78Å; M82-F86 WeakPolarHBondContact O-CB 3.3Å; M82-F86 PolarHBondContact O-N 2.99Å; M82-F126 HydrophobicContact CE-CD1 4.17Å; M82-F126 HydrophobicContact CE-CE1 4.3Å; M82-M134 HydrophobicContact CE-CB 4.19Å; M82-M134 HydrophobicContact CE-CE 3.2Å; M82-M134 HydrophobicContact CE-CG 4.15Å; M82-M134 HydrophobicContact CE-SD 3.36Å; M82-M134 WeakPolarHBondContact CE-SD 3.38Å; M82-W138 HydrophobicContact CG-CE3 4.34Å; M82-W138 HydrophobicContact CG-CZ3 4.13Å; M82-W138 HydrophobicContact SD-CE3 3.64Å; M82-W138 HydrophobicContact SD-CZ3 4.02Å
83A92.6Very high92Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-63.7-42.3173.900000111.2H61 Y78 S79 A80 I81 F86 L87H61-A83 HydrophobicContact CB-CB 4.15Å; Y78-A83 HydrophobicContact CD1-CB 4.14Å; Y78-A83 HydrophobicContact CE1-CB 4.26Å; S79-A83 PolarHBondContact O-N 2.84Å; A80-A83 WeakPolarHBondContact O-CB 3.33Å; A80-A83 PolarHBondContact O-N 3.16Å; A80-A83 VanDerWaalsContact O-N 3.16Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.16Å; A83-F86 WeakPolarHBondContact O-CB 3.49Å; A83-F86 PolarHBondContact O-N 3.06Å; A83-L87 VanDerWaalsContact O-CG 3.26Å; A83-L87 WeakPolarHBondContact O-CG 3.3Å; A83-L87 PolarHBondContact O-N 2.92Å
84F92Very high91.9Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-69-39176.3-74.2-67000112.8R50 F62 A80 I81 F86 L87 E88 I141 L145 P150R50-F84 HydrophobicContact CB-CE1 4.04Å; R50-F84 HydrophobicContact CG-CD1 4.48Å; R50-F84 HydrophobicContact CG-CE1 4.2Å; F62-F84 WeakPolarHBondContact O-CE1 3.27Å; A80-F84 WeakPolarHBondContact O-CD2 3.38Å; A80-F84 PolarHBondContact O-N 2.84Å; I81-F84 PolarHBondContact O-N 3.08Å; F84-F86 VanDerWaalsContact C-N 3.25Å; F84-F86 PolarHBondContact O-N 2.84Å; F84-L87 HydrophobicContact CD1-CD1 4.28Å; F84-L87 PolarHBondContact O-N 2.88Å; F84-E88 PolarHBondContact O-N 3.05Å; F84-I141 HydrophobicContact CB-CG2 3.91Å; F84-L145 HydrophobicContact CD2-CD1 3.87Å; F84-L145 HydrophobicContact CD2-CD2 3.88Å; F84-L145 HydrophobicContact CE2-CD2 4.04Å; F84-L145 HydrophobicContact CG-CD2 4.43Å; F84-P150 HydrophobicContact CE2-CB 3.94Å; F84-P150 HydrophobicContact CE2-CG 3.83Å; F84-P150 HydrophobicContact CZ-CB 3.59Å; F84-P150 HydrophobicContact CZ-CG 4.03Å
85C90.3Very high91.8Very high3 Ų337.9 Ų37.92%0.0221%0.208CC..Hα-helixtrans-54.8-43.9170.5-67.90000111.5I81 M82 E89 F126 I141I81-C85 PolarHBondContact O-N 2.87Å; I81-C85 PolarHBondContact O-SG 2.92Å; M82-C85 PolarHBondContact O-N 2.78Å; C85-E89 PolarHBondContact O-N 2.93Å; C85-F126 HydrophobicContact CB-CE1 3.59Å; C85-F126 HydrophobicContact CB-CZ 4.07Å; C85-I141 VanDerWaalsContact CA-CD1 3.46Å; C85-I141 HydrophobicContact CB-CD1 3.93Å; C85-I141 WeakPolarHBondContact SG-CD1 3.16Å
86F94.3Very high91.9Very high0 Ų040.8 Ų40.80%023%0.233CC..Hα-helixtrans-63-46.2177.2167.5-101.4000112I4 A7 A72 M82 A83 F84 E89 L90 V122 K123 F126I4-F86 HydrophobicContact CD1-CB 3.71Å; I4-F86 HydrophobicContact CD1-CD1 3.81Å; I4-F86 HydrophobicContact CD1-CD2 3.62Å; I4-F86 HydrophobicContact CD1-CE1 4.3Å; I4-F86 HydrophobicContact CD1-CE2 4.15Å; I4-F86 HydrophobicContact CD1-CG 3.42Å; I4-F86 VanDerWaalsContact CD1-CG 3.42Å; I4-F86 HydrophobicContact CD1-CZ 4.45Å; I4-F86 HydrophobicContact CG2-CD1 4.45Å; I4-F86 HydrophobicContact CG2-CE1 4.03Å; I4-F86 HydrophobicContact CG2-CZ 4.15Å; A7-F86 HydrophobicContact CB-CE1 3.57Å; A7-F86 HydrophobicContact CB-CZ 3.53Å; A72-F86 HydrophobicContact CB-CD1 4.12Å; A72-F86 HydrophobicContact CB-CE1 3.91Å; M82-F86 WeakPolarHBondContact O-CB 3.3Å; M82-F86 PolarHBondContact O-N 2.99Å; A83-F86 WeakPolarHBondContact O-CB 3.49Å; A83-F86 PolarHBondContact O-N 3.06Å; F84-F86 VanDerWaalsContact C-N 3.25Å; F84-F86 PolarHBondContact O-N 2.84Å; F86-E89 PolarHBondContact O-N 3.27Å; F86-L90 HydrophobicContact CD1-CD1 4.25Å; F86-L90 HydrophobicContact CE1-CD1 3.47Å; F86-L90 VanDerWaalsContact CE1-CD1 3.47Å; F86-L90 HydrophobicContact CE1-CG 4.22Å; F86-L90 HydrophobicContact CE2-CD1 4.02Å; F86-L90 HydrophobicContact CE2-CD2 4.4Å; F86-L90 HydrophobicContact CE2-CG 4.1Å; F86-L90 HydrophobicContact CZ-CD1 3.34Å; F86-L90 HydrophobicContact CZ-CD2 4.43Å; F86-L90 HydrophobicContact CZ-CG 3.93Å; F86-L90 PolarHBondContact O-N 3.22Å; F86-V122 HydrophobicContact CD2-CG1 3.67Å; F86-V122 HydrophobicContact CE2-CB 4.21Å; F86-V122 HydrophobicContact CE2-CG1 3.77Å; F86-K123 HydrophobicContact CE2-CB 4.02Å; F86-K123 HydrophobicContact CZ-CB 4.34Å; F86-F126 VanDerWaalsContact CA-CE1 3.44Å; F86-F126 VanDerWaalsContact CA-CZ 3.49Å; F86-F126 HydrophobicContact CB-CD1 3.57Å; F86-F126 HydrophobicContact CB-CD2 4.35Å; F86-F126 HydrophobicContact CB-CE1 3.66Å; F86-F126 HydrophobicContact CB-CE2 4.42Å; F86-F126 HydrophobicContact CB-CG 3.94Å; F86-F126 HydrophobicContact CB-CZ 4.1Å; F86-F126 HydrophobicContact CD2-CB 4.21Å; F86-F126 HydrophobicContact CD2-CD1 4.41Å; F86-F126 AromaticContact CD2-CD2 3.91Å; F86-F126 HydrophobicContact CD2-CD2 3.91Å; F86-F126 HydrophobicContact CD2-CE2 4.4Å; F86-F126 AromaticContact CD2-CG 3.91Å; F86-F126 HydrophobicContact CD2-CG 3.91Å; F86-F126 HydrophobicContact CG-CD1 4.47Å; F86-F126 HydrophobicContact CG-CG 4.41Å
87L95.8Very high92.1Very high0 Ų040.8 Ų40.80%023%0.234CC..Hα-helixtrans-65.9-37.8-179.4-67.3176.4000112.4H61 L63 C70 A72 A83 F84 L90 Q91H61-L87 HydrophobicContact CB-CD1 3.85Å; L63-L87 HydrophobicContact CB-CB 3.88Å; L63-L87 HydrophobicContact CB-CD1 4.06Å; L63-L87 HydrophobicContact CD2-CB 4.07Å; C70-L87 HydrophobicContact CB-CB 4.3Å; C70-L87 HydrophobicContact CB-CD2 3.74Å; A72-L87 HydrophobicContact CB-CD2 3.86Å; A83-L87 VanDerWaalsContact O-CG 3.26Å; A83-L87 WeakPolarHBondContact O-CG 3.3Å; A83-L87 PolarHBondContact O-N 2.92Å; F84-L87 HydrophobicContact CD1-CD1 4.28Å; F84-L87 PolarHBondContact O-N 2.88Å; L87-L90 PolarHBondContact O-N 3.19Å; L87-Q91 VanDerWaalsContact O-CB 3.31Å; L87-Q91 WeakPolarHBondContact O-CB 3.27Å; L87-Q91 PolarHBondContact O-N 3.25Å
88E92.1Very high92.4Very high31 Ų3138.9 Ų38.915%0.14521%0.214CC..Hα-helixtrans-64.2-42.6174.6-77.7-167.817900112.2R50 L63 F84 Q91 W92 I141R50-E88 IonicContact CZ-OE1 3.25Å; R50-E88 IonicContact NH2-OE1 2.79Å; R50-E88 PolarHBondContact NH2-OE1 3.16Å; L63-E88 HydrophobicContact CD2-CB 4.25Å; L63-E88 HydrophobicContact CD2-CG 3.48Å; L63-E88 VanDerWaalsContact CD2-CG 3.48Å; F84-E88 PolarHBondContact O-N 3.05Å; E88-Q91 PolarHBondContact O-N 3.21Å; E88-W92 PolarHBondContact O-N 2.88Å; E88-I141 HydrophobicContact CG-CD1 4.46Å; E88-I141 WeakPolarHBondContact OE2-CD1 3.3Å
89E93.6Very high92.5Very high58 Ų5842 Ų4227%0.27123%0.232SC..Hα-helixtrans-64.7-41.7177.3-175.9169.9166.300111.7C85 F86 W92 K93 V122 F126C85-E89 PolarHBondContact O-N 2.93Å; F86-E89 PolarHBondContact O-N 3.27Å; E89-W92 PolarHBondContact O-N 2.81Å; E89-K93 HydrophobicContact CG-CD 4.36Å; E89-K93 WeakPolarHBondContact O-CG 3.45Å; E89-K93 PolarHBondContact O-N 2.88Å; E89-K93 WeakPolarHBondContact OE1-CE 3.38Å; E89-K93 IonicContact OE1-NZ 2.75Å; E89-K93 PolarHBondContact OE1-NZ 3Å; E89-V122 HydrophobicContact CB-CG1 4.28Å; E89-V122 HydrophobicContact CG-CG1 4.08Å; E89-V122 HydrophobicContact CG-CG2 4.34Å; E89-F126 VanDerWaalsContact OE2-CE2 3.28Å; E89-F126 WeakPolarHBondContact OE2-CE2 3.46Å
90L95.6Very high92.5Very high0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-61.3-44.7173.8-75.1-170.4000112A7 C70 F86 L87 K93 F94 F115 I119 V122A7-L90 HydrophobicContact CB-CD1 4.05Å; C70-L90 HydrophobicContact CB-CB 4.5Å; F86-L90 HydrophobicContact CD1-CD1 4.25Å; F86-L90 HydrophobicContact CE1-CD1 3.47Å; F86-L90 VanDerWaalsContact CE1-CD1 3.47Å; F86-L90 HydrophobicContact CE1-CG 4.22Å; F86-L90 HydrophobicContact CE2-CD1 4.02Å; F86-L90 HydrophobicContact CE2-CD2 4.4Å; F86-L90 HydrophobicContact CE2-CG 4.1Å; F86-L90 HydrophobicContact CZ-CD1 3.34Å; F86-L90 HydrophobicContact CZ-CD2 4.43Å; F86-L90 HydrophobicContact CZ-CG 3.93Å; F86-L90 PolarHBondContact O-N 3.22Å; L87-L90 PolarHBondContact O-N 3.19Å; L90-K93 PolarHBondContact O-N 2.83Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 2.83Å; L90-F115 HydrophobicContact CD2-CE1 4.42Å; L90-I119 HydrophobicContact CD2-CB 4.47Å; L90-I119 HydrophobicContact CD2-CG1 4.16Å; L90-V122 HydrophobicContact CD2-CB 3.91Å; L90-V122 HydrophobicContact CD2-CG1 4.14Å; L90-V122 HydrophobicContact CD2-CG2 4.09Å
91Q93.4Very high92.7Very high33 Ų3345.1 Ų45.115%0.15425%0.251CS..Hα-helixtrans-59.8-48.8179.7179.8178.698.400111.1S65 I68 L87 E88 K93 F94 A95S65-Q91 VanDerWaalsContact CB-OE1 3.26Å; I68-Q91 HydrophobicContact CD1-CG 4.47Å; L87-Q91 VanDerWaalsContact O-CB 3.31Å; L87-Q91 WeakPolarHBondContact O-CB 3.27Å; L87-Q91 PolarHBondContact O-N 3.25Å; E88-Q91 PolarHBondContact O-N 3.21Å; Q91-K93 PolarHBondContact O-N 3.48Å; Q91-F94 PolarHBondContact O-N 3.36Å; Q91-A95 WeakPolarHBondContact O-CB 3.3Å; Q91-A95 PolarHBondContact O-N 3.34Å
92W92.9Very high92.9Very high198 Ų19845.3 Ų45.375%0.7526%0.255SS*.Hα-helixtrans-60.1-47.3178.1178.8-99.7000111.9E88 E89 F94 A95 A96E88-W92 PolarHBondContact O-N 2.88Å; E89-W92 PolarHBondContact O-N 2.81Å; W92-F94 VanDerWaalsContact C-N 3.32Å; W92-F94 PolarHBondContact O-N 2.89Å; W92-A95 PolarHBondContact O-N 2.83Å; W92-A96 VanDerWaalsContact O-CB 3.31Å; W92-A96 WeakPolarHBondContact O-CB 3.27Å; W92-A96 PolarHBondContact O-N 3.13Å
93K95.4Very high93.1Very high76 Ų7644.1 Ų44.133%0.3325%0.249SC..Hα-helixtrans-65.4-35.6178.8-70.7-174.9-165.9-72.40112.5E89 L90 Q91 S97 F115 V118 V122E89-K93 HydrophobicContact CG-CD 4.36Å; E89-K93 WeakPolarHBondContact O-CG 3.45Å; E89-K93 PolarHBondContact O-N 2.88Å; E89-K93 WeakPolarHBondContact OE1-CE 3.38Å; E89-K93 IonicContact OE1-NZ 2.75Å; E89-K93 PolarHBondContact OE1-NZ 3Å; L90-K93 PolarHBondContact O-N 2.83Å; Q91-K93 PolarHBondContact O-N 3.48Å; K93-S97 WeakPolarHBondContact O-CB 3.4Å; K93-S97 PolarHBondContact O-N 2.86Å; K93-S97 VanDerWaalsContact O-N 3.11Å; K93-S97 PolarHBondContact O-OG 3.43Å; K93-F115 HydrophobicContact CB-CE2 4.15Å; K93-F115 HydrophobicContact CB-CZ 4.08Å; K93-V118 HydrophobicContact CB-CG1 3.95Å; K93-V118 HydrophobicContact CD-CG1 3.41Å; K93-V118 VanDerWaalsContact CD-CG1 3.41Å; K93-V118 HydrophobicContact CG-CG1 4.32Å; K93-V122 HydrophobicContact CD-CG2 3.79Å
94F95.3Very high93Very high0 Ų046.2 Ų46.20%026%0.261CS..Hα-helixtrans-68.2-48.2177.6-168-91.5000111.1V9 L18 I68 L90 Q91 W92 A96 S97 Y98 I103 F112 F115V9-F94 HydrophobicContact CB-CD2 4.26Å; V9-F94 HydrophobicContact CB-CE2 4.25Å; V9-F94 HydrophobicContact CG1-CD1 4.07Å; V9-F94 HydrophobicContact CG1-CD2 4.03Å; V9-F94 HydrophobicContact CG1-CE1 4.07Å; V9-F94 HydrophobicContact CG1-CE2 4.06Å; V9-F94 HydrophobicContact CG1-CG 4.03Å; V9-F94 HydrophobicContact CG1-CZ 4.08Å; V9-F94 HydrophobicContact CG2-CD2 3.99Å; V9-F94 HydrophobicContact CG2-CE2 4.42Å; V9-F94 HydrophobicContact CG2-CG 4.41Å; L18-F94 HydrophobicContact CB-CE2 4.49Å; L18-F94 HydrophobicContact CB-CZ 4.02Å; L18-F94 HydrophobicContact CD1-CE1 4.01Å; L18-F94 HydrophobicContact CD1-CZ 3.86Å; I68-F94 HydrophobicContact CD1-CB 4.45Å; I68-F94 HydrophobicContact CD1-CD1 3.57Å; I68-F94 HydrophobicContact CD1-CE1 4.26Å; I68-F94 HydrophobicContact CD1-CG 4.36Å; I68-F94 HydrophobicContact CG2-CE1 4.18Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 2.83Å; Q91-F94 PolarHBondContact O-N 3.36Å; W92-F94 VanDerWaalsContact C-N 3.32Å; W92-F94 PolarHBondContact O-N 2.89Å; F94-A96 PolarHBondContact O-N 3.36Å; F94-S97 PolarHBondContact O-N 3.48Å; F94-Y98 HydrophobicContact CD1-CD2 4.26Å; F94-Y98 AromaticContact CD2-CD2 3.7Å; F94-Y98 HydrophobicContact CD2-CD2 3.7Å; F94-Y98 AromaticContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CE1-CD2 4.09Å; F94-Y98 AromaticContact CE2-CD2 3.49Å; F94-Y98 HydrophobicContact CE2-CD2 3.49Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.49Å; F94-Y98 AromaticContact CE2-CE2 3.63Å; F94-Y98 HydrophobicContact CE2-CE2 3.63Å; F94-Y98 HydrophobicContact CG-CD2 4.1Å; F94-Y98 AromaticContact CZ-CD2 3.7Å; F94-Y98 HydrophobicContact CZ-CD2 3.7Å; F94-Y98 HydrophobicContact CZ-CE2 4.25Å; F94-Y98 HydrophobicContact CZ-CG 4.46Å; F94-Y98 PolarHBondContact O-N 3.1Å; F94-I103 HydrophobicContact CD1-CD1 4.25Å; F94-I103 HydrophobicContact CE1-CD1 3.62Å; F94-I103 HydrophobicContact CE1-CG1 3.94Å; F94-I103 HydrophobicContact CZ-CG1 4.5Å; F94-F112 HydrophobicContact CE2-CB 4.18Å; F94-F112 HydrophobicContact CE2-CG 4.43Å; F94-F112 HydrophobicContact CZ-CB 4.4Å; F94-F112 HydrophobicContact CZ-CD2 4.14Å; F94-F112 HydrophobicContact CZ-CG 4.17Å; F94-F115 HydrophobicContact CB-CE1 4.05Å; F94-F115 HydrophobicContact CB-CE2 4Å; F94-F115 HydrophobicContact CB-CZ 3.61Å; F94-F115 HydrophobicContact CD2-CB 4.48Å; F94-F115 AromaticContact CD2-CD1 3.6Å; F94-F115 HydrophobicContact CD2-CD1 3.6Å; F94-F115 AromaticContact CD2-CD2 3.94Å; F94-F115 HydrophobicContact CD2-CD2 3.94Å; F94-F115 AromaticContact CD2-CE1 3.69Å; F94-F115 HydrophobicContact CD2-CE1 3.69Å; F94-F115 HydrophobicContact CD2-CE2 4.01Å; F94-F115 AromaticContact CD2-CG 3.73Å; F94-F115 HydrophobicContact CD2-CG 3.73Å; F94-F115 AromaticContact CD2-CZ 3.89Å; F94-F115 HydrophobicContact CD2-CZ 3.89Å; F94-F115 HydrophobicContact CE2-CD1 4.24Å; F94-F115 HydrophobicContact CE2-CG 4.22Å; F94-F115 HydrophobicContact CG-CE1 4.36Å; F94-F115 HydrophobicContact CG-CE2 4.47Å; F94-F115 HydrophobicContact CG-CZ 4.26Å
95A91.4Very high93.1Very high63 Ų6353 Ų5352%0.52130%0.296SS..Hα-helixtrans-62.4-30.8176.400000112.9Q91 W92Q91-A95 WeakPolarHBondContact O-CB 3.3Å; Q91-A95 PolarHBondContact O-N 3.34Å; W92-A95 PolarHBondContact O-N 2.83Å
96A93.6Very high93.2Very high77 Ų7753.5 Ų53.564%0.63630%0.3SS*.Hα-helixtrans-76.8-22.517400000113.7W92 F94W92-A96 VanDerWaalsContact O-CB 3.31Å; W92-A96 WeakPolarHBondContact O-CB 3.27Å; W92-A96 PolarHBondContact O-N 3.13Å; F94-A96 PolarHBondContact O-N 3.36Å
97S94.6Very high93.2Very high65 Ų6558.2 Ų58.246%0.45533%0.333SS..Hα-helixtrans-92.7-30.1-176.8-57.20000113K93 F94K93-S97 WeakPolarHBondContact O-CB 3.4Å; K93-S97 PolarHBondContact O-N 2.86Å; K93-S97 VanDerWaalsContact O-N 3.11Å; K93-S97 PolarHBondContact O-OG 3.43Å; F94-S97 PolarHBondContact O-N 3.48Å
98Y93.8Very high93.1Very high45 Ų4567.6 Ų67.618%0.17637%0.368CS..SBendtrans-133.9138.9-172.1-53.6-68.5000111.8F94 F112 F115F94-Y98 HydrophobicContact CD1-CD2 4.26Å; F94-Y98 AromaticContact CD2-CD2 3.7Å; F94-Y98 HydrophobicContact CD2-CD2 3.7Å; F94-Y98 AromaticContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CE1-CD2 4.09Å; F94-Y98 AromaticContact CE2-CD2 3.49Å; F94-Y98 HydrophobicContact CE2-CD2 3.49Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.49Å; F94-Y98 AromaticContact CE2-CE2 3.63Å; F94-Y98 HydrophobicContact CE2-CE2 3.63Å; F94-Y98 HydrophobicContact CG-CD2 4.1Å; F94-Y98 AromaticContact CZ-CD2 3.7Å; F94-Y98 HydrophobicContact CZ-CD2 3.7Å; F94-Y98 HydrophobicContact CZ-CE2 4.25Å; F94-Y98 HydrophobicContact CZ-CG 4.46Å; F94-Y98 PolarHBondContact O-N 3.1Å; Y98-F112 AromaticContact CD1-CD1 3.42Å; Y98-F112 HydrophobicContact CD1-CD1 3.42Å; Y98-F112 VanDerWaalsContact CD1-CD1 3.42Å; Y98-F112 AromaticContact CD1-CE1 3.72Å; Y98-F112 HydrophobicContact CD1-CE1 3.72Å; Y98-F112 HydrophobicContact CD2-CD1 4.08Å; Y98-F112 HydrophobicContact CE1-CB 4.45Å; Y98-F112 AromaticContact CE1-CD1 3.53Å; Y98-F112 HydrophobicContact CE1-CD1 3.53Å; Y98-F112 HydrophobicContact CE1-CE1 4.27Å; Y98-F112 HydrophobicContact CE1-CG 4.44Å; Y98-F112 HydrophobicContact CE2-CB 4.11Å; Y98-F112 HydrophobicContact CE2-CD1 4.18Å; Y98-F112 HydrophobicContact CE2-CG 4.45Å; Y98-F112 AromaticContact CG-CD1 3.7Å; Y98-F112 HydrophobicContact CG-CD1 3.7Å; Y98-F112 AromaticContact CG-CE1 3.93Å; Y98-F112 HydrophobicContact CG-CE1 3.93Å; Y98-F112 AromaticContact CZ-CD1 3.91Å; Y98-F115 HydrophobicContact CE2-CB 3.86Å; Y98-F115 AromaticContact CE2-CD2 3.69Å; Y98-F115 HydrophobicContact CE2-CD2 3.69Å; Y98-F115 AromaticContact CE2-CG 3.99Å; Y98-F115 HydrophobicContact CE2-CG 3.99Å
99D91.3Very high93.3Very high90 Ų9070 Ų7048%0.48139%0.387SS..  trans-78.2153.9177.368.8-73.6000112.3A101 S102 I103D99-A101 PolarHBondContact O-N 3.45Å; D99-A101 WeakPolarHBondContact OD2-CA 3.3Å; D99-A101 VanDerWaalsContact OD2-CB 3.31Å; D99-A101 WeakPolarHBondContact OD2-CB 3.45Å; D99-A101 PolarHBondContact OD2-N 2.93Å; D99-A101 VanDerWaalsContact OD2-N 3.07Å; D99-S102 VanDerWaalsContact CG-OG 3.28Å; D99-S102 PolarHBondContact O-N 2.82Å; D99-S102 PolarHBondContact O-OG 2.73Å; D99-S102 VanDerWaalsContact OD1-CB 3.23Å; D99-S102 WeakPolarHBondContact OD1-CB 3.49Å; D99-S102 PolarHBondContact OD1-OG 3.15Å; D99-S102 PolarHBondContact OD2-N 3.01Å; D99-I103 WeakPolarHBondContact O-CD1 3.26Å; D99-I103 WeakPolarHBondContact O-CG1 3.16Å; D99-I103 PolarHBondContact O-N 3.27Å
100T90.9Very high93.4Very high89 Ų8971.2 Ų71.255%0.54639%0.39SS..Hα-helixtrans-64.2-27.4-179.4-49.80000113.2N104T100-N104 WeakPolarHBondContact CG2-ND2 3.36Å; T100-N104 WeakPolarHBondContact O-CB 3.35Å; T100-N104 PolarHBondContact O-N 3.18Å; T100-N104 VanDerWaalsContact O-N 3.1Å; T100-N104 PolarHBondContact O-ND2 2.94Å
101A90.9Very high93.4Very high58 Ų5873.6 Ų73.648%0.47941%0.409SS..Hα-helixtrans-72.2-44.9-179.300000111.3D99 I103 N104 L105D99-A101 PolarHBondContact O-N 3.45Å; D99-A101 WeakPolarHBondContact OD2-CA 3.3Å; D99-A101 VanDerWaalsContact OD2-CB 3.31Å; D99-A101 WeakPolarHBondContact OD2-CB 3.45Å; D99-A101 PolarHBondContact OD2-N 2.93Å; D99-A101 VanDerWaalsContact OD2-N 3.07Å; A101-I103 VanDerWaalsContact C-N 3.33Å; A101-I103 PolarHBondContact O-N 3.37Å; A101-N104 PolarHBondContact O-N 2.99Å; A101-L105 WeakPolarHBondContact O-CB 3.18Å; A101-L105 VanDerWaalsContact O-CG 3.3Å; A101-L105 WeakPolarHBondContact O-CG 3.33Å; A101-L105 PolarHBondContact O-N 3.3Å
102S92.6Very high93.5Very high34 Ų3473 Ų7324%0.23841%0.406CS..Hα-helixtrans-62.9-39.217664.70000112D99 N104 L105 A106D99-S102 VanDerWaalsContact CG-OG 3.28Å; D99-S102 PolarHBondContact O-N 2.82Å; D99-S102 PolarHBondContact O-OG 2.73Å; D99-S102 VanDerWaalsContact OD1-CB 3.23Å; D99-S102 WeakPolarHBondContact OD1-CB 3.49Å; D99-S102 PolarHBondContact OD1-OG 3.15Å; D99-S102 PolarHBondContact OD2-N 3.01Å; S102-N104 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.44Å; S102-L105 PolarHBondContact O-N 3.21Å; S102-A106 PolarHBondContact O-N 2.79Å
103I92.9Very high93.6Very high6 Ų669.1 Ų69.13%0.03140%0.4CS..Hα-helixtrans-59.8-43.2173.7-66.2164.2000111.2R11 L18 I68 F94 D99 A101 F112R11-I103 PolarHBondContact NH1-O 3.05Å; L18-I103 HydrophobicContact CD1-CG2 3.87Å; I68-I103 HydrophobicContact CG2-CD1 4.12Å; I68-I103 HydrophobicContact CG2-CG2 3.74Å; F94-I103 HydrophobicContact CD1-CD1 4.25Å; F94-I103 HydrophobicContact CE1-CD1 3.62Å; F94-I103 HydrophobicContact CE1-CG1 3.94Å; F94-I103 HydrophobicContact CZ-CG1 4.5Å; D99-I103 WeakPolarHBondContact O-CD1 3.26Å; D99-I103 WeakPolarHBondContact O-CG1 3.16Å; D99-I103 PolarHBondContact O-N 3.27Å; A101-I103 VanDerWaalsContact C-N 3.33Å; A101-I103 PolarHBondContact O-N 3.37Å; I103-F112 HydrophobicContact CG1-CE2 4.42Å; I103-F112 HydrophobicContact CG1-CZ 4.1Å
104N90.4Very high93.6Very high45 Ų4573 Ų7324%0.24142%0.419CS..Hα-helixtrans-73.8-31.1-179-84.2-51.6000113.7R11 R13 D67 T100 A101 S102R11-N104 PolarHBondContact NH1-O 3.43Å; R13-N104 PolarHBondContact NH1-OD1 3.13Å; R13-N104 PolarHBondContact NH2-O 3.32Å; D67-N104 PolarHBondContact OD2-ND2 2.85Å; T100-N104 WeakPolarHBondContact CG2-ND2 3.36Å; T100-N104 WeakPolarHBondContact O-CB 3.35Å; T100-N104 PolarHBondContact O-N 3.18Å; T100-N104 VanDerWaalsContact O-N 3.1Å; T100-N104 PolarHBondContact O-ND2 2.94Å; A101-N104 PolarHBondContact O-N 2.99Å; S102-N104 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.44Å
105L93.8Very high93.7Very high143 Ų14373 Ų7375%0.74942%0.419SS*.Hα-helixtrans-81.6-16.6176.9-69171.7000113.4A101 S102 S107A101-L105 WeakPolarHBondContact O-CB 3.18Å; A101-L105 VanDerWaalsContact O-CG 3.3Å; A101-L105 WeakPolarHBondContact O-CG 3.33Å; A101-L105 PolarHBondContact O-N 3.3Å; S102-L105 PolarHBondContact O-N 3.21Å; L105-S107 PolarHBondContact O-N 3.28Å
106A92.6Very high94Very high12 Ų1271 Ų7110%0.09940%0.399CS..  trans-57.8124.117900000111.6R11 L16 L18 S102 A111 F112R11-A106 VanDerWaalsContact CZ-O 3.3Å; R11-A106 PolarHBondContact NH1-O 3.15Å; R11-A106 PolarHBondContact NH2-O 2.8Å; L16-A106 HydrophobicContact CD2-CB 4.32Å; L16-A106 WeakPolarHBondContact CD2-O 3.32Å; L18-A106 HydrophobicContact CD2-CB 4.42Å; S102-A106 PolarHBondContact O-N 2.79Å; A106-A111 HydrophobicContact CB-CB 3.95Å; A106-F112 HydrophobicContact CB-CE2 3.95Å; A106-F112 HydrophobicContact CB-CZ 4.42Å
107S93.3Very high94.1Very high99 Ų9972.4 Ų72.469%0.69240%0.396SS*.  trans-116.5-18.7178.357.20000113L105L105-S107 PolarHBondContact O-N 3.28Å
108R95Very high94.2Very high197 Ų19771.1 Ų71.174%0.74339%0.385SS*.SBendtrans-95.3136.8-179-63.4-175.7-179.8-1670.8110.8Y110 A111R108-Y110 PolarHBondContact O-N 2.88Å; R108-A111 PolarHBondContact O-N 3.34Å
109P95.3Very high94.3Very high82 Ų8269 Ų6953%0.53238%0.377SS..THydrogen-bonded Turntrans-55.7136.7168.4-26.435.8000111L16 P17L16-P109 HydrophobicContact CD1-CG 4.21Å; P17-P109 HydrophobicContact CG-CB 3.97Å
110Y96.1Very high94.5Very high84 Ų8467 Ų6733%0.32937%0.365SS..THydrogen-bonded Turntrans56.451.3-177-47.3-79.7000112.1P17 L18 A20 R108 F112 L113P17-Y110 HydrophobicContact CB-CD1 4.12Å; P17-Y110 HydrophobicContact CB-CE1 3.71Å; P17-Y110 HydrophobicContact CB-CE2 4.47Å; P17-Y110 HydrophobicContact CG-CE1 4.29Å; P17-Y110 HydrophobicContact CG-CE2 4.16Å; P17-Y110 PolarHBondContact O-N 3.29Å; L18-Y110 CarbonylContact O-C 3.55Å; L18-Y110 VanDerWaalsContact O-CA 3.31Å; L18-Y110 WeakPolarHBondContact O-CA 3.36Å; A20-Y110 HydrophobicContact CB-CD1 4.25Å; A20-Y110 HydrophobicContact CB-CE1 3.65Å; R108-Y110 PolarHBondContact O-N 2.88Å; Y110-F112 PolarHBondContact O-N 3.17Å; Y110-L113 HydrophobicContact CG-CD2 4.41Å; Y110-L113 VanDerWaalsContact O-CD1 3.29Å; Y110-L113 WeakPolarHBondContact O-CD1 3.31Å; Y110-L113 WeakPolarHBondContact O-CG 3.48Å
111A95.7Very high94.7Very high50 Ų5070.2 Ų70.241%0.41337%0.371SS..THydrogen-bonded Turntrans-65.1-20.1175.400000113L18 A106 R108L18-A111 PolarHBondContact O-N 3.3Å; A106-A111 HydrophobicContact CB-CB 3.95Å; R108-A111 PolarHBondContact O-N 3.34Å
112F96.3Very high94.8Very high21 Ų2167.6 Ų67.69%0.09235%0.35CS..THydrogen-bonded Turntrans-119.249.6-173.6-54-85.8000111.5L18 S19 F94 Y98 I103 A106 Y110 E114 F115L18-F112 HydrophobicContact CB-CD2 3.84Å; L18-F112 HydrophobicContact CB-CE2 4.45Å; L18-F112 HydrophobicContact CD2-CD2 4.13Å; L18-F112 HydrophobicContact CD2-CE2 3.97Å; L18-F112 HydrophobicContact CG-CD2 4.44Å; L18-F112 WeakPolarHBondContact O-CA 3.44Å; L18-F112 WeakPolarHBondContact O-CB 3.31Å; L18-F112 PolarHBondContact O-N 2.86Å; S19-F112 WeakPolarHBondContact CB-O 3.47Å; S19-F112 PolarHBondContact OG-O 3.43Å; F94-F112 HydrophobicContact CE2-CB 4.18Å; F94-F112 HydrophobicContact CE2-CG 4.43Å; F94-F112 HydrophobicContact CZ-CB 4.4Å; F94-F112 HydrophobicContact CZ-CD2 4.14Å; F94-F112 HydrophobicContact CZ-CG 4.17Å; Y98-F112 AromaticContact CD1-CD1 3.42Å; Y98-F112 HydrophobicContact CD1-CD1 3.42Å; Y98-F112 VanDerWaalsContact CD1-CD1 3.42Å; Y98-F112 AromaticContact CD1-CE1 3.72Å; Y98-F112 HydrophobicContact CD1-CE1 3.72Å; Y98-F112 HydrophobicContact CD2-CD1 4.08Å; Y98-F112 HydrophobicContact CE1-CB 4.45Å; Y98-F112 AromaticContact CE1-CD1 3.53Å; Y98-F112 HydrophobicContact CE1-CD1 3.53Å; Y98-F112 HydrophobicContact CE1-CE1 4.27Å; Y98-F112 HydrophobicContact CE1-CG 4.44Å; Y98-F112 HydrophobicContact CE2-CB 4.11Å; Y98-F112 HydrophobicContact CE2-CD1 4.18Å; Y98-F112 HydrophobicContact CE2-CG 4.45Å; Y98-F112 AromaticContact CG-CD1 3.7Å; Y98-F112 HydrophobicContact CG-CD1 3.7Å; Y98-F112 AromaticContact CG-CE1 3.93Å; Y98-F112 HydrophobicContact CG-CE1 3.93Å; Y98-F112 AromaticContact CZ-CD1 3.91Å; I103-F112 HydrophobicContact CG1-CE2 4.42Å; I103-F112 HydrophobicContact CG1-CZ 4.1Å; A106-F112 HydrophobicContact CB-CE2 3.95Å; A106-F112 HydrophobicContact CB-CZ 4.42Å; Y110-F112 PolarHBondContact O-N 3.17Å; F112-E114 PolarHBondContact O-N 2.85Å; F112-F115 WeakPolarHBondContact O-CB 3.48Å; F112-F115 PolarHBondContact O-N 3.17Å
113L95.1Very high94.9Very high116 Ų11666.9 Ų66.961%0.60734%0.342SS*.G310 helixtrans-57.2-34-175.8-69.8144.1000113.3Y110 F115 D116Y110-L113 HydrophobicContact CG-CD2 4.41Å; Y110-L113 VanDerWaalsContact O-CD1 3.29Å; Y110-L113 WeakPolarHBondContact O-CD1 3.31Å; Y110-L113 WeakPolarHBondContact O-CG 3.48Å; L113-F115 PolarHBondContact O-N 2.82Å; L113-F115 VanDerWaalsContact O-N 3.11Å; L113-D116 VanDerWaalsContact O-CB 3.28Å; L113-D116 WeakPolarHBondContact O-CB 3.13Å; L113-D116 PolarHBondContact O-N 3.23Å
114E94.8Very high94.8Very high156 Ų15670 Ų7073%0.72936%0.363SS*.G310 helixtrans-60.5-24.5-178.5-63.3-179.3177.700113F112 D116 N117F112-E114 PolarHBondContact O-N 2.85Å; E114-D116 PolarHBondContact O-N 2.96Å; E114-N117 PolarHBondContact O-N 3.27Å; E114-N117 PolarHBondContact O-ND2 3.5Å
115F97.3Very high94.7Very high1 Ų171 Ų710%0.00437%0.367CS..G310 helixtrans-67.7-16.1176.8-164-104.8000113.6V9 L90 K93 F94 Y98 F112 L113 N117 V118 I119V9-F115 HydrophobicContact CG2-CD1 4.22Å; V9-F115 HydrophobicContact CG2-CE1 3.98Å; L90-F115 HydrophobicContact CD2-CE1 4.42Å; K93-F115 HydrophobicContact CB-CE2 4.15Å; K93-F115 HydrophobicContact CB-CZ 4.08Å; F94-F115 HydrophobicContact CB-CE1 4.05Å; F94-F115 HydrophobicContact CB-CE2 4Å; F94-F115 HydrophobicContact CB-CZ 3.61Å; F94-F115 HydrophobicContact CD2-CB 4.48Å; F94-F115 AromaticContact CD2-CD1 3.6Å; F94-F115 HydrophobicContact CD2-CD1 3.6Å; F94-F115 AromaticContact CD2-CD2 3.94Å; F94-F115 HydrophobicContact CD2-CD2 3.94Å; F94-F115 AromaticContact CD2-CE1 3.69Å; F94-F115 HydrophobicContact CD2-CE1 3.69Å; F94-F115 HydrophobicContact CD2-CE2 4.01Å; F94-F115 AromaticContact CD2-CG 3.73Å; F94-F115 HydrophobicContact CD2-CG 3.73Å; F94-F115 AromaticContact CD2-CZ 3.89Å; F94-F115 HydrophobicContact CD2-CZ 3.89Å; F94-F115 HydrophobicContact CE2-CD1 4.24Å; F94-F115 HydrophobicContact CE2-CG 4.22Å; F94-F115 HydrophobicContact CG-CE1 4.36Å; F94-F115 HydrophobicContact CG-CE2 4.47Å; F94-F115 HydrophobicContact CG-CZ 4.26Å; Y98-F115 HydrophobicContact CE2-CB 3.86Å; Y98-F115 AromaticContact CE2-CD2 3.69Å; Y98-F115 HydrophobicContact CE2-CD2 3.69Å; Y98-F115 AromaticContact CE2-CG 3.99Å; Y98-F115 HydrophobicContact CE2-CG 3.99Å; F112-F115 WeakPolarHBondContact O-CB 3.48Å; F112-F115 PolarHBondContact O-N 3.17Å; L113-F115 PolarHBondContact O-N 2.82Å; L113-F115 VanDerWaalsContact O-N 3.11Å; F115-N117 PolarHBondContact O-N 3.23Å; F115-V118 HydrophobicContact CD2-CB 3.9Å; F115-V118 HydrophobicContact CD2-CG1 4.38Å; F115-V118 HydrophobicContact CD2-CG2 3.94Å; F115-V118 HydrophobicContact CE1-CB 4.49Å; F115-V118 HydrophobicContact CE2-CB 3.75Å; F115-V118 HydrophobicContact CE2-CG1 3.72Å; F115-V118 HydrophobicContact CE2-CG2 4.01Å; F115-V118 HydrophobicContact CG-CB 4.34Å; F115-V118 HydrophobicContact CZ-CB 4.07Å; F115-V118 HydrophobicContact CZ-CG1 3.79Å; F115-V118 WeakPolarHBondContact O-CA 3.31Å; F115-V118 WeakPolarHBondContact O-CB 3.28Å; F115-V118 PolarHBondContact O-N 3.11Å; F115-I119 HydrophobicContact CD1-CD1 3.84Å; F115-I119 HydrophobicContact CD1-CG1 3.61Å; F115-I119 HydrophobicContact CE1-CD1 4.28Å; F115-I119 HydrophobicContact CE1-CG1 3.71Å; F115-I119 PolarHBondContact O-N 3.33Å
116D96.9Very high94.6Very high21 Ų2164.9 Ų64.911%0.11233%0.334CS..Hα-helixtrans-53-39.3172.7-179.223.6000111.2S19 S21 T22 L113 E114 V118 I119 Q120S19-D116 PolarHBondContact OG-N 2.85Å; S21-D116 VanDerWaalsContact CA-OD1 3.29Å; S21-D116 WeakPolarHBondContact CA-OD1 3.31Å; T22-D116 WeakPolarHBondContact CB-OD2 3.22Å; T22-D116 WeakPolarHBondContact CG2-OD2 3.45Å; T22-D116 PolarHBondContact N-OD1 3.01Å; T22-D116 PolarHBondContact OG1-OD2 3.24Å; L113-D116 VanDerWaalsContact O-CB 3.28Å; L113-D116 WeakPolarHBondContact O-CB 3.13Å; L113-D116 PolarHBondContact O-N 3.23Å; E114-D116 PolarHBondContact O-N 2.96Å; D116-V118 PolarHBondContact O-N 3.38Å; D116-I119 WeakPolarHBondContact O-CB 3.32Å; D116-I119 PolarHBondContact O-N 3.27Å; D116-Q120 VanDerWaalsContact O-CG 3.3Å; D116-Q120 WeakPolarHBondContact O-CG 3.29Å; D116-Q120 PolarHBondContact O-N 3.01Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.36Å; D116-Q120 PolarHBondContact OD1-NE2 3.25Å
117N96.1Very high94.5Very high107 Ų10766.8 Ų66.857%0.57234%0.343SS*.Hα-helixtrans-57.7-36.4176-69-47.4000112.9E114 F115 K121E114-N117 PolarHBondContact O-N 3.27Å; E114-N117 PolarHBondContact O-ND2 3.5Å; F115-N117 PolarHBondContact O-N 3.23Å; N117-K121 VanDerWaalsContact O-CG 3.27Å; N117-K121 WeakPolarHBondContact O-CG 3.39Å; N117-K121 PolarHBondContact O-N 2.91Å
118V96.8Very high93.9Very high37 Ų3766.4 Ų66.422%0.22434%0.339CS..Hα-helixtrans-73.2-45.7175.9-1800000109.8K93 F115 D116 Q120 K121 V122K93-V118 HydrophobicContact CB-CG1 3.95Å; K93-V118 HydrophobicContact CD-CG1 3.41Å; K93-V118 VanDerWaalsContact CD-CG1 3.41Å; K93-V118 HydrophobicContact CG-CG1 4.32Å; F115-V118 HydrophobicContact CD2-CB 3.9Å; F115-V118 HydrophobicContact CD2-CG1 4.38Å; F115-V118 HydrophobicContact CD2-CG2 3.94Å; F115-V118 HydrophobicContact CE1-CB 4.49Å; F115-V118 HydrophobicContact CE2-CB 3.75Å; F115-V118 HydrophobicContact CE2-CG1 3.72Å; F115-V118 HydrophobicContact CE2-CG2 4.01Å; F115-V118 HydrophobicContact CG-CB 4.34Å; F115-V118 HydrophobicContact CZ-CB 4.07Å; F115-V118 HydrophobicContact CZ-CG1 3.79Å; F115-V118 WeakPolarHBondContact O-CA 3.31Å; F115-V118 WeakPolarHBondContact O-CB 3.28Å; F115-V118 PolarHBondContact O-N 3.11Å; D116-V118 PolarHBondContact O-N 3.38Å; V118-Q120 VanDerWaalsContact C-N 3.3Å; V118-Q120 PolarHBondContact O-N 2.84Å; V118-K121 PolarHBondContact O-N 2.61Å; V118-V122 HydrophobicContact CG1-CG2 4.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.49Å; V118-V122 PolarHBondContact O-N 2.79Å
119I97.1Very high92.6Very high0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-54.6-48.5177-63.1172.8000110.4A7 L90 F115 D116 K121 V122 K123A7-I119 HydrophobicContact CB-CG2 3.8Å; L90-I119 HydrophobicContact CD2-CB 4.47Å; L90-I119 HydrophobicContact CD2-CG1 4.16Å; F115-I119 HydrophobicContact CD1-CD1 3.84Å; F115-I119 HydrophobicContact CD1-CG1 3.61Å; F115-I119 HydrophobicContact CE1-CD1 4.28Å; F115-I119 HydrophobicContact CE1-CG1 3.71Å; F115-I119 PolarHBondContact O-N 3.33Å; D116-I119 WeakPolarHBondContact O-CB 3.32Å; D116-I119 PolarHBondContact O-N 3.27Å; I119-K121 PolarHBondContact O-N 3.44Å; I119-V122 PolarHBondContact O-N 3.33Å; I119-K123 WeakPolarHBondContact O-CB 3.11Å; I119-K123 PolarHBondContact O-N 3.27Å
120Q95.2Very high90.7Very high48 Ų4860.5 Ų60.522%0.22433%0.332CS..Hα-helixtrans-62.7-43.1-179.6-67.4-66.4-4.800112.5D23 D116 V118 K123 C124D23-Q120 PolarHBondContact OD1-NE2 2.81Å; D23-Q120 PolarHBondContact OD1-OE1 2.89Å; D23-Q120 PolarHBondContact OD2-NE2 2.83Å; D116-Q120 VanDerWaalsContact O-CG 3.3Å; D116-Q120 WeakPolarHBondContact O-CG 3.29Å; D116-Q120 PolarHBondContact O-N 3.01Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.36Å; D116-Q120 PolarHBondContact OD1-NE2 3.25Å; V118-Q120 VanDerWaalsContact C-N 3.3Å; V118-Q120 PolarHBondContact O-N 2.84Å; Q120-K123 PolarHBondContact O-N 3.39Å; Q120-C124 VanDerWaalsContact O-CB 3.26Å; Q120-C124 WeakPolarHBondContact O-CB 3.28Å; Q120-C124 PolarHBondContact O-N 3.33Å
121K94Very high88.6Confident157 Ų15759 Ų5968%0.68334%0.342SS*.Hα-helixtrans-61.7-48.7177-76.5174-1771790111.9N117 V118 I119 C124 H125N117-K121 VanDerWaalsContact O-CG 3.27Å; N117-K121 WeakPolarHBondContact O-CG 3.39Å; N117-K121 PolarHBondContact O-N 2.91Å; V118-K121 PolarHBondContact O-N 2.61Å; I119-K121 PolarHBondContact O-N 3.44Å; K121-C124 PolarHBondContact O-N 3.43Å; K121-H125 PolarHBondContact O-N 2.63Å
122V94.1Very high86.6Confident4 Ų461.4 Ų61.42%0.02436%0.356CS..Hα-helixtrans-66.5-43.4179.2-177.80000110.1F86 E89 L90 K93 V118 I119 C124 H125 F126F86-V122 HydrophobicContact CD2-CG1 3.67Å; F86-V122 HydrophobicContact CE2-CB 4.21Å; F86-V122 HydrophobicContact CE2-CG1 3.77Å; E89-V122 HydrophobicContact CB-CG1 4.28Å; E89-V122 HydrophobicContact CG-CG1 4.08Å; E89-V122 HydrophobicContact CG-CG2 4.34Å; L90-V122 HydrophobicContact CD2-CB 3.91Å; L90-V122 HydrophobicContact CD2-CG1 4.14Å; L90-V122 HydrophobicContact CD2-CG2 4.09Å; K93-V122 HydrophobicContact CD-CG2 3.79Å; V118-V122 HydrophobicContact CG1-CG2 4.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.49Å; V118-V122 PolarHBondContact O-N 2.79Å; I119-V122 PolarHBondContact O-N 3.33Å; V122-C124 VanDerWaalsContact C-N 3.34Å; V122-C124 PolarHBondContact O-N 3.36Å; V122-H125 WeakPolarHBondContact O-CB 3.33Å; V122-H125 PolarHBondContact O-N 2.92Å; V122-H125 VanDerWaalsContact O-N 3.13Å; V122-F126 HydrophobicContact CG1-CD2 3.79Å; V122-F126 HydrophobicContact CG1-CE2 3.76Å; V122-F126 VanDerWaalsContact O-CD2 3.28Å; V122-F126 WeakPolarHBondContact O-CD2 3.16Å; V122-F126 PolarHBondContact O-N 2.75Å
123K93.6Very high84.6Confident19 Ų1968.1 Ų68.18%0.08339%0.388CS..Hα-helixtrans-60.1-43.9177.7-168-170.481.8-158.60111.6I4 D23 F86 I119 Q120 F126 N127I4-K123 HydrophobicContact CB-CG 4.1Å; I4-K123 HydrophobicContact CG2-CD 4.46Å; I4-K123 HydrophobicContact CG2-CG 3.99Å; D23-K123 IonicContact OD1-NZ 3.44Å; D23-K123 PolarHBondContact OD1-NZ 3.02Å; D23-K123 IonicContact OD2-NZ 2.68Å; D23-K123 PolarHBondContact OD2-NZ 2.68Å; F86-K123 HydrophobicContact CE2-CB 4.02Å; F86-K123 HydrophobicContact CZ-CB 4.34Å; I119-K123 WeakPolarHBondContact O-CB 3.11Å; I119-K123 PolarHBondContact O-N 3.27Å; Q120-K123 PolarHBondContact O-N 3.39Å; K123-F126 PolarHBondContact O-N 3.41Å; K123-N127 WeakPolarHBondContact O-CB 3.34Å; K123-N127 PolarHBondContact O-N 3.22Å
124C91Very high83Confident70 Ų7063.5 Ų63.547%0.47336%0.363SS..Hα-helixtrans-61.3-44.8174.7-178.90000111.3Q120 K121 V122 F126 N127 C128Q120-C124 VanDerWaalsContact O-CB 3.26Å; Q120-C124 WeakPolarHBondContact O-CB 3.28Å; Q120-C124 PolarHBondContact O-N 3.33Å; K121-C124 PolarHBondContact O-N 3.43Å; V122-C124 VanDerWaalsContact C-N 3.34Å; V122-C124 PolarHBondContact O-N 3.36Å; C124-F126 PolarHBondContact O-N 3.13Å; C124-N127 PolarHBondContact O-N 3.1Å; C124-C128 WeakPolarHBondContact O-CB 3.3Å; C124-C128 PolarHBondContact O-N 3.35Å; C124-C128 PolarHBondContact O-SG 3.47Å; C124-C128 VanDerWaalsContact O-SG 3.37Å
125H89.7Confident81.3Confident68 Ų6862.7 Ų62.732%0.31536%0.357SS..Hα-helixtrans-55.8-48.4175.1-177.273.6000111.9K121 V122 N127 C128 A129K121-H125 PolarHBondContact O-N 2.63Å; V122-H125 WeakPolarHBondContact O-CB 3.33Å; V122-H125 PolarHBondContact O-N 2.92Å; V122-H125 VanDerWaalsContact O-N 3.13Å; H125-N127 PolarHBondContact O-N 3.09Å; H125-C128 PolarHBondContact O-N 2.67Å; H125-A129 WeakPolarHBondContact O-CA 3.39Å; H125-A129 WeakPolarHBondContact O-CB 3.19Å; H125-A129 PolarHBondContact O-N 3.39Å
126F90.1Very high79.6Confident13 Ų1366.7 Ų66.76%0.05739%0.39CS..Hα-helixtrans-72.9-23-178.3-83.8-105.7000115.1I4 Y78 M82 C85 F86 E89 V122 K123 C124 M134I4-F126 HydrophobicContact CD1-CB 3.74Å; I4-F126 HydrophobicContact CD1-CD1 4.48Å; I4-F126 HydrophobicContact CD1-CG 4.35Å; Y78-F126 PolarHBondContact OH-O 3.45Å; M82-F126 HydrophobicContact CE-CD1 4.17Å; M82-F126 HydrophobicContact CE-CE1 4.3Å; C85-F126 HydrophobicContact CB-CE1 3.59Å; C85-F126 HydrophobicContact CB-CZ 4.07Å; F86-F126 VanDerWaalsContact CA-CE1 3.44Å; F86-F126 VanDerWaalsContact CA-CZ 3.49Å; F86-F126 HydrophobicContact CB-CD1 3.57Å; F86-F126 HydrophobicContact CB-CD2 4.35Å; F86-F126 HydrophobicContact CB-CE1 3.66Å; F86-F126 HydrophobicContact CB-CE2 4.42Å; F86-F126 HydrophobicContact CB-CG 3.94Å; F86-F126 HydrophobicContact CB-CZ 4.1Å; F86-F126 HydrophobicContact CD2-CB 4.21Å; F86-F126 HydrophobicContact CD2-CD1 4.41Å; F86-F126 AromaticContact CD2-CD2 3.91Å; F86-F126 HydrophobicContact CD2-CD2 3.91Å; F86-F126 HydrophobicContact CD2-CE2 4.4Å; F86-F126 AromaticContact CD2-CG 3.91Å; F86-F126 HydrophobicContact CD2-CG 3.91Å; F86-F126 HydrophobicContact CG-CD1 4.47Å; F86-F126 HydrophobicContact CG-CG 4.41Å; E89-F126 VanDerWaalsContact OE2-CE2 3.28Å; E89-F126 WeakPolarHBondContact OE2-CE2 3.46Å; V122-F126 HydrophobicContact CG1-CD2 3.79Å; V122-F126 HydrophobicContact CG1-CE2 3.76Å; V122-F126 VanDerWaalsContact O-CD2 3.28Å; V122-F126 WeakPolarHBondContact O-CD2 3.16Å; V122-F126 PolarHBondContact O-N 2.75Å; K123-F126 PolarHBondContact O-N 3.41Å; C124-F126 PolarHBondContact O-N 3.13Å; F126-M134 HydrophobicContact CB-CE 4.13Å; F126-M134 HydrophobicContact CD1-CE 3.01Å; F126-M134 HydrophobicContact CD2-CE 3.72Å; F126-M134 HydrophobicContact CE1-CE 3.07Å; F126-M134 HydrophobicContact CE2-CE 3.79Å; F126-M134 HydrophobicContact CG-CE 3.35Å; F126-M134 HydrophobicContact CZ-CE 3.48Å; F126-M134 VanDerWaalsContact CZ-CE 3.48Å
127N90.6Very high78.1Confident53 Ų5368.7 Ų68.728%0.28340%0.401SS..Hα-helixtrans-89.9-26.4176.3-74.1-15.6000113I4 K123 C124 H125I4-N127 PolarHBondContact N-OD1 3.3Å; I4-N127 PolarHBondContact O-ND2 3.16Å; K123-N127 WeakPolarHBondContact O-CB 3.34Å; K123-N127 PolarHBondContact O-N 3.22Å; C124-N127 PolarHBondContact O-N 3.1Å; H125-N127 PolarHBondContact O-N 3.09Å
128C81.8Confident77.1Confident91 Ų9167 Ų6762%0.61539%0.386SS*.Hα-helixtrans-106.6-20.3-174.7-610000113.8C124 H125 S130C124-C128 WeakPolarHBondContact O-CB 3.3Å; C124-C128 PolarHBondContact O-N 3.35Å; C124-C128 PolarHBondContact O-SG 3.47Å; C124-C128 VanDerWaalsContact O-SG 3.37Å; H125-C128 PolarHBondContact O-N 2.67Å; C128-S130 PolarHBondContact O-N 3.42Å
129A66.6Low76.2Confident38 Ų3870.5 Ų70.531%0.31440%0.4SS..  trans-70.3122.6-176.900000112H125 G131 M134H125-A129 WeakPolarHBondContact O-CA 3.39Å; H125-A129 WeakPolarHBondContact O-CB 3.19Å; H125-A129 PolarHBondContact O-N 3.39Å; A129-G131 PolarHBondContact O-N 3.47Å; A129-M134 HydrophobicContact CB-SD 4.07Å
130S55.3Low75.3Confident117 Ų11775.8 Ų75.882%0.81842%0.423SS*.  trans-79.180.1172-60.80000110.3C128 S132C128-S130 PolarHBondContact O-N 3.42Å; S130-S132 VanDerWaalsContact C-N 3.26Å; S130-S132 PolarHBondContact O-N 2.74Å
131G53Low74.4Confident53 Ų5373.5 Ų73.555%0.54641%0.413SS..SBendtrans56.5-27.5156.500000122.1A129A129-G131 PolarHBondContact O-N 3.47Å
132S53.2Low73.7Confident99 Ų9968.7 Ų68.769%0.69239%0.393SS*.SBendtrans-85.2-29.9-164.973.70000114.4S130S130-S132 VanDerWaalsContact C-N 3.26Å; S130-S132 PolarHBondContact O-N 2.74Å
133Q54Low72.9Confident163 Ų16374.1 Ų74.176%0.76242%0.418SS*.SBendtrans-83.6-11.3-179.5-68.4-160.4-17.100114.3
134M61.2Low71.9Confident18 Ų1875.7 Ų75.79%0.08943%0.425CS..SBendtrans-99-4.3-172.5-77.1152.7126.200114.9M82 F126 A129 A136 N137 W138M82-M134 HydrophobicContact CE-CB 4.19Å; M82-M134 HydrophobicContact CE-CE 3.2Å; M82-M134 HydrophobicContact CE-CG 4.15Å; M82-M134 HydrophobicContact CE-SD 3.36Å; M82-M134 WeakPolarHBondContact CE-SD 3.38Å; F126-M134 HydrophobicContact CB-CE 4.13Å; F126-M134 HydrophobicContact CD1-CE 3.01Å; F126-M134 HydrophobicContact CD2-CE 3.72Å; F126-M134 HydrophobicContact CE1-CE 3.07Å; F126-M134 HydrophobicContact CE2-CE 3.79Å; F126-M134 HydrophobicContact CG-CE 3.35Å; F126-M134 HydrophobicContact CZ-CE 3.48Å; F126-M134 VanDerWaalsContact CZ-CE 3.48Å; A129-M134 HydrophobicContact CB-SD 4.07Å; M134-A136 PolarHBondContact O-N 2.65Å; M134-N137 PolarHBondContact O-N 3.1Å; M134-W138 WeakPolarHBondContact O-CB 3.49Å; M134-W138 PolarHBondContact O-N 3.48Å
135K59.1Low71Confident140 Ų14073.4 Ų73.461%0.60941%0.408SS*.Hα-helixtrans-57.4-41.3-173.9-90.9-170.9173.4-173.30114.2W138 E139K135-W138 WeakPolarHBondContact O-CB 3.39Å; K135-W138 PolarHBondContact O-N 3.29Å; K135-E139 WeakPolarHBondContact O-CG 3.35Å; K135-E139 PolarHBondContact O-N 2.87Å; K135-E139 VanDerWaalsContact O-N 3.11Å
136A61.7Low70.2Confident85 Ų8577.3 Ų77.370%0.70243%0.425SS*.Hα-helixtrans-68-43.1-174.700000113M134M134-A136 PolarHBondContact O-N 2.65Å
137N65.7Low68.8Low62 Ų6284 Ų8433%0.33245%0.454SS..Hα-helixtrans-76.8-31.2177.5-153.132.7000111.9M134 I141M134-N137 PolarHBondContact O-N 3.1Å; N137-I141 PolarHBondContact O-N 2.93Å; N137-I141 VanDerWaalsContact O-N 3.15Å
138W76.3Confident67.8Low71 Ų7191 Ų9127%0.26948%0.476SS..Hα-helixtrans-57.5-50174.7160-89.1000113I81 M82 M134 K135 K140 I141 Q142I81-W138 HydrophobicContact CB-CE3 3.77Å; I81-W138 HydrophobicContact CB-CH2 3.98Å; I81-W138 HydrophobicContact CB-CZ3 3.38Å; I81-W138 HydrophobicContact CD1-CE3 4.41Å; I81-W138 HydrophobicContact CD1-CH2 3.3Å; I81-W138 HydrophobicContact CD1-CZ2 3.75Å; I81-W138 HydrophobicContact CD1-CZ3 3.7Å; I81-W138 HydrophobicContact CG1-CH2 4.21Å; I81-W138 HydrophobicContact CG1-CZ3 4.12Å; I81-W138 HydrophobicContact CG2-CD2 3.83Å; I81-W138 HydrophobicContact CG2-CE3 3.19Å; I81-W138 HydrophobicContact CG2-CH2 4.14Å; I81-W138 HydrophobicContact CG2-CZ3 3.4Å; I81-W138 VanDerWaalsContact CG2-CZ3 3.4Å; M82-W138 HydrophobicContact CG-CE3 4.34Å; M82-W138 HydrophobicContact CG-CZ3 4.13Å; M82-W138 HydrophobicContact SD-CE3 3.64Å; M82-W138 HydrophobicContact SD-CZ3 4.02Å; M134-W138 WeakPolarHBondContact O-CB 3.49Å; M134-W138 PolarHBondContact O-N 3.48Å; K135-W138 WeakPolarHBondContact O-CB 3.39Å; K135-W138 PolarHBondContact O-N 3.29Å; W138-K140 VanDerWaalsContact C-N 3.34Å; W138-K140 PolarHBondContact O-N 3.18Å; W138-I141 PolarHBondContact O-N 3.14Å; W138-Q142 WeakPolarHBondContact O-CB 3.3Å; W138-Q142 PolarHBondContact O-N 3.41Å
139E76.9Confident67.4Low111 Ų11191.1 Ų91.152%0.51948%0.476SS..Hα-helixtrans-62.9-43.3-174.8-72.1174.1-17400111.3K135 Q142 E143K135-E139 WeakPolarHBondContact O-CG 3.35Å; K135-E139 PolarHBondContact O-N 2.87Å; K135-E139 VanDerWaalsContact O-N 3.11Å; E139-Q142 PolarHBondContact O-N 3.09Å; E139-E143 PolarHBondContact O-N 3.46Å
140K77.8Confident67.8Low111 Ų11190.2 Ų90.248%0.48347%0.467SS..Hα-helixtrans-59.6-53.7176.1-175.2-169.8175.4-149.60111.9W138 Q142 E143 E144W138-K140 VanDerWaalsContact C-N 3.34Å; W138-K140 PolarHBondContact O-N 3.18Å; K140-Q142 VanDerWaalsContact C-N 3.28Å; K140-Q142 PolarHBondContact O-N 3.21Å; K140-E143 PolarHBondContact O-N 3.2Å; K140-E144 WeakPolarHBondContact CE-OE1 3.34Å; K140-E144 IonicContact NZ-OE1 3.41Å; K140-E144 WeakPolarHBondContact O-CG 3.42Å; K140-E144 PolarHBondContact O-N 3.49Å
141I77.4Confident69Low0 Ų087.2 Ų87.20%044%0.444CS..Hα-helixtrans-65.4-35.1-179.1-70.4165.8000110.8I81 F84 C85 E88 N137 W138 E144 L145I81-I141 HydrophobicContact CG2-CB 4.39Å; I81-I141 HydrophobicContact CG2-CG2 4.01Å; F84-I141 HydrophobicContact CB-CG2 3.91Å; C85-I141 VanDerWaalsContact CA-CD1 3.46Å; C85-I141 HydrophobicContact CB-CD1 3.93Å; C85-I141 WeakPolarHBondContact SG-CD1 3.16Å; E88-I141 HydrophobicContact CG-CD1 4.46Å; E88-I141 WeakPolarHBondContact OE2-CD1 3.3Å; N137-I141 PolarHBondContact O-N 2.93Å; N137-I141 VanDerWaalsContact O-N 3.15Å; W138-I141 PolarHBondContact O-N 3.14Å; I141-E144 PolarHBondContact O-N 3.05Å; I141-L145 HydrophobicContact CG2-CD1 3.63Å; I141-L145 HydrophobicContact CG2-CG 4.07Å; I141-L145 WeakPolarHBondContact O-CB 3.36Å; I141-L145 WeakPolarHBondContact O-CG 3.29Å; I141-L145 PolarHBondContact O-N 3.25Å
142Q79.3Confident70.5Confident56 Ų5689.7 Ų89.726%0.26244%0.441SS..Hα-helixtrans-62.4-44.2175.2-175.2-173.4-89.700111.8I81 W138 E139 K140 K146I81-Q142 HydrophobicContact CD1-CB 4.15Å; I81-Q142 HydrophobicContact CD1-CG 3.89Å; I81-Q142 HydrophobicContact CG2-CB 4.46Å; W138-Q142 WeakPolarHBondContact O-CB 3.3Å; W138-Q142 PolarHBondContact O-N 3.41Å; E139-Q142 PolarHBondContact O-N 3.09Å; K140-Q142 VanDerWaalsContact C-N 3.28Å; K140-Q142 PolarHBondContact O-N 3.21Å; Q142-K146 WeakPolarHBondContact O-CG 3.42Å; Q142-K146 PolarHBondContact O-N 3.35Å; Q142-K146 VanDerWaalsContact O-N 3.15Å
143E77.7Confident71.7Confident118 Ų11886.2 Ų86.255%0.55142%0.415SS*.Hα-helixtrans-63.8-48.2173.9-73.5-168.7161.900111.2E139 K140 L145 K146 F147E139-E143 PolarHBondContact O-N 3.46Å; K140-E143 PolarHBondContact O-N 3.2Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 2.81Å; E143-K146 WeakPolarHBondContact O-CB 3.48Å; E143-K146 PolarHBondContact O-N 3.45Å; E143-F147 HydrophobicContact CB-CE2 4.43Å; E143-F147 WeakPolarHBondContact O-CD2 3.3Å; E143-F147 PolarHBondContact O-N 2.88Å; E143-F147 VanDerWaalsContact O-N 3.11Å
144E71.6Confident72.3Confident52 Ų5285.6 Ų85.624%0.24341%0.41CS..Hα-helixtrans-56.2-42.7177.4-73.3-178.1-168.600112.5R50 K140 I141 K146 F147 W148R50-E144 IonicContact CZ-OE2 2.68Å; R50-E144 VanDerWaalsContact CZ-OE2 3.25Å; R50-E144 IonicContact NH1-OE2 3.8Å; R50-E144 PolarHBondContact NH1-OE2 3.2Å; R50-E144 IonicContact NH2-OE2 3.85Å; R50-E144 PolarHBondContact NH2-OE2 2.86Å; K140-E144 WeakPolarHBondContact CE-OE1 3.34Å; K140-E144 IonicContact NZ-OE1 3.41Å; K140-E144 WeakPolarHBondContact O-CG 3.42Å; K140-E144 PolarHBondContact O-N 3.49Å; I141-E144 PolarHBondContact O-N 3.05Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 2.82Å; E144-F147 PolarHBondContact O-N 2.99Å; E144-W148 WeakPolarHBondContact O-CA 3.38Å; E144-W148 PolarHBondContact O-N 3.3Å
145L73.1Confident72.3Confident22 Ų2286 Ų8612%0.11541%0.412CS..Hα-helixtrans-70.8-23.5178.3-69.2169.3000113.1I81 F84 I141 E143 P149 P150I81-L145 HydrophobicContact CB-CD1 4.31Å; I81-L145 HydrophobicContact CG1-CD1 3.75Å; F84-L145 HydrophobicContact CD2-CD1 3.87Å; F84-L145 HydrophobicContact CD2-CD2 3.88Å; F84-L145 HydrophobicContact CE2-CD2 4.04Å; F84-L145 HydrophobicContact CG-CD2 4.43Å; I141-L145 HydrophobicContact CG2-CD1 3.63Å; I141-L145 HydrophobicContact CG2-CG 4.07Å; I141-L145 WeakPolarHBondContact O-CB 3.36Å; I141-L145 WeakPolarHBondContact O-CG 3.29Å; I141-L145 PolarHBondContact O-N 3.25Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 2.81Å; L145-P149 WeakPolarHBondContact O-CA 3.22Å; L145-P150 HydrophobicContact CD2-CG 4.1Å
146K71.6Confident72.1Confident151 Ų15186.8 Ų86.866%0.65742%0.418SS*.Hα-helixtrans-70.9-40.4170.7-75.3174.2-178.3179.60111.2Q142 E143 E144Q142-K146 WeakPolarHBondContact O-CG 3.42Å; Q142-K146 PolarHBondContact O-N 3.35Å; Q142-K146 VanDerWaalsContact O-N 3.15Å; E143-K146 WeakPolarHBondContact O-CB 3.48Å; E143-K146 PolarHBondContact O-N 3.45Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 2.82Å
147F61.4Low71.5Confident153 Ų15386.1 Ų86.167%0.67140%0.402SS*.Hα-helixtrans-79.4-34.2179.4-68.4-70.6000112.6E143 E144E143-F147 HydrophobicContact CB-CE2 4.43Å; E143-F147 WeakPolarHBondContact O-CD2 3.3Å; E143-F147 PolarHBondContact O-N 2.88Å; E143-F147 VanDerWaalsContact O-N 3.11Å; E144-F147 PolarHBondContact O-N 2.99Å
148W70.3Confident70.3Confident199 Ų19988.3 Ų88.375%0.75442%0.418SS*.SBendtrans-134.578.6-175-57.7100000110.1E144E144-W148 WeakPolarHBondContact O-CA 3.38Å; E144-W148 PolarHBondContact O-N 3.3Å
149P71.8Confident68.9Low95 Ų9591.9 Ų91.962%0.61744%0.438SS*.PPolyproline II helixtrans-63.3143.6-178.125.9-33.9000110.9L145L145-P149 WeakPolarHBondContact O-CA 3.22Å
150P75.6Confident67.6Low19 Ų1988.7 Ų88.712%0.12342%0.424CS..PPolyproline II helixtrans-68.2138.9179.227.8-29.6000108.9R50 F84 L145 Q152R50-P150 HydrophobicContact CB-CB 4.43Å; F84-P150 HydrophobicContact CE2-CB 3.94Å; F84-P150 HydrophobicContact CE2-CG 3.83Å; F84-P150 HydrophobicContact CZ-CB 3.59Å; F84-P150 HydrophobicContact CZ-CG 4.03Å; L145-P150 HydrophobicContact CD2-CG 4.1Å; P150-Q152 PolarHBondContact O-N 3.37Å; P150-Q152 VanDerWaalsContact O-N 3.16Å; P150-Q152 PolarHBondContact O-NE2 3.37Å
151V81.3Confident66Low54 Ų5489 Ų8933%0.32743%0.428SS..EExtended strand (participates in β ladder)trans-56.9125.2176.11680000109.2P48 R50 G51 T52 L153P48-V151 HydrophobicContact CG-CB 4.03Å; P48-V151 HydrophobicContact CG-CG2 3.22Å; R50-V151 PolarHBondContact O-N 2.66Å; G51-V151 CarbonylContact C-O 3.57Å; G51-V151 WeakPolarHBondContact CA-O 3.26Å; T52-V151 PolarHBondContact N-O 3.38Å; V151-L153 HydrophobicContact CG1-CD2 3.64Å; V151-L153 HydrophobicContact CG1-CG 4.18Å
152Q83.4Confident64.4Low104 Ų10493.6 Ų93.649%0.48645%0.453SS..EExtended strand (participates in β ladder)trans-87.6114.8177.2-60.9-60.3-5500108.1T52 P150T52-Q152 WeakPolarHBondContact O-CA 3.32Å; P150-Q152 PolarHBondContact O-N 3.37Å; P150-Q152 VanDerWaalsContact O-N 3.16Å; P150-Q152 PolarHBondContact O-NE2 3.37Å
153L79.5Confident62.7Low27 Ų2793.2 Ų93.214%0.14146%0.464CS..EExtended strand (participates in β ladder)trans-102134.7172.8-55.8176.7000107.8L40 Y47 T52 A53 K54 F62 V151L40-L153 HydrophobicContact CD1-CD1 3.68Å; L40-L153 HydrophobicContact CD2-CD1 4.42Å; Y47-L153 HydrophobicContact CD1-CD1 4.26Å; Y47-L153 HydrophobicContact CD1-CD2 3.92Å; Y47-L153 HydrophobicContact CE1-CD1 4.04Å; Y47-L153 HydrophobicContact CE1-CD2 3.4Å; Y47-L153 HydrophobicContact CE1-CG 4.37Å; T52-L153 PolarHBondContact O-N 3.47Å; A53-L153 VanDerWaalsContact CA-O 3.3Å; A53-L153 WeakPolarHBondContact CA-O 3.49Å; A53-L153 HydrophobicContact CB-CB 3.96Å; K54-L153 PolarHBondContact N-O 3.38Å; F62-L153 HydrophobicContact CE1-CD1 3.97Å; V151-L153 HydrophobicContact CG1-CD2 3.64Å; V151-L153 HydrophobicContact CG1-CG 4.18Å
154K67Low61.1Low150 Ų15095.2 Ų95.265%0.65248%0.478SS*.EExtended strand (participates in β ladder)trans-82.1130.9165.3-58.9179.8175.8176.40107.6E156 D157K154-E156 PolarHBondContact O-N 3.16Å; K154-D157 VanDerWaalsContact CB-OD2 3.31Å; K154-D157 WeakPolarHBondContact CB-OD2 3.39Å; K154-D157 PolarHBondContact N-OD2 2.94Å; K154-D157 PolarHBondContact O-N 3.5Å
155L60.4Low59.4Low25 Ų2597 Ų9713%0.13149%0.492CS..THydrogen-bonded Turntrans-66.8-3.1179.4-110.9155000113.2R36 A53 K54 G55 I60R36-L155 HydrophobicContact CB-CD2 3.6Å; R36-L155 HydrophobicContact CG-CD2 3.97Å; R36-L155 PolarHBondContact NH1-O 3.02Å; A53-L155 HydrophobicContact CB-CD1 4.09Å; A53-L155 HydrophobicContact CB-CG 3.89Å; A53-L155 WeakPolarHBondContact O-CD1 3.4Å; K54-L155 WeakPolarHBondContact O-CB 3.38Å; G55-L155 VanDerWaalsContact N-CD1 3.29Å; I60-L155 HydrophobicContact CD1-CD1 4.29Å; I60-L155 HydrophobicContact CD1-CD2 3.99Å; I60-L155 HydrophobicContact CD1-CG 4.49Å; I60-L155 HydrophobicContact CG1-CD1 4.46Å
156E54.4Low57.7Low158 Ų158103.6 Ų103.674%0.73853%0.528SS*.THydrogen-bonded Turntrans-106.9-7.9-175.9-55.1178.6-161.900112.7K154 T158K154-E156 PolarHBondContact O-N 3.16Å; E156-T158 PolarHBondContact O-N 3.07Å; E156-T158 VanDerWaalsContact O-N 3.14Å
157D48.8Very low55.8Low71 Ų71100.4 Ų100.438%0.3854%0.538SS..  trans-72.5113.3-174.2-64.8-27.9000110.5K154 E159 L160K154-D157 VanDerWaalsContact CB-OD2 3.31Å; K154-D157 WeakPolarHBondContact CB-OD2 3.39Å; K154-D157 PolarHBondContact N-OD2 2.94Å; K154-D157 PolarHBondContact O-N 3.5Å; D157-E159 PolarHBondContact O-N 3.21Å; D157-L160 PolarHBondContact O-N 3.06Å
158T41.8Very low54.2Low107 Ų10796.7 Ų96.766%0.65654%0.542SS*.THydrogen-bonded Turntrans-49.8-16.7171-45.50000113.2E156 L160 M161 N162E156-T158 PolarHBondContact O-N 3.07Å; E156-T158 VanDerWaalsContact O-N 3.14Å; T158-L160 PolarHBondContact O-N 3.1Å; T158-M161 PolarHBondContact O-N 2.95Å; T158-N162 PolarHBondContact O-N 3.42Å
159E45.2Very low53Low147 Ų14793.4 Ų93.469%0.68755%0.547SS*.Hα-helixtrans-66.9-31.8179.3-61.9-174.3153.800113.5D157 M161 N162 G163D157-E159 PolarHBondContact O-N 3.21Å; E159-M161 PolarHBondContact O-N 3.38Å; E159-M161 VanDerWaalsContact O-N 3.16Å; E159-N162 PolarHBondContact O-N 3.34Å; E159-N162 VanDerWaalsContact O-N 3.13Å; E159-G163 PolarHBondContact O-N 3.05Å
160L50.8Low50.9Low43 Ų4393.6 Ų93.623%0.22556%0.557CS.*Hα-helixtrans-65.4-18.9175.5-157.579000112.2T39 L40 V43 Y47 D157 T158T39-L160 HydrophobicContact CG2-CD2 3.76Å; T39-L160 HydrophobicContact CG2-CG 3.95Å; L40-L160 HydrophobicContact CB-CD2 4.25Å; L40-L160 HydrophobicContact CD1-CD1 3.93Å; V43-L160 HydrophobicContact CG2-CD1 3.6Å; V43-L160 HydrophobicContact CG2-CG 4.29Å; Y47-L160 HydrophobicContact CE2-CD1 4Å; Y47-L160 VanDerWaalsContact OH-CD1 3.32Å; Y47-L160 WeakPolarHBondContact OH-CD1 3.37Å; D157-L160 PolarHBondContact O-N 3.06Å; T158-L160 PolarHBondContact O-N 3.1Å
161M43.8Very low48.9Very low118 Ų118101.6 Ų101.658%0.58159%0.592SS**Hα-helixtrans-93.1-24.6174.7-78.3-87.970.300113.6T39 T158 E159T39-M161 HydrophobicContact CG2-CE 3.96Å; T158-M161 PolarHBondContact O-N 2.95Å; E159-M161 PolarHBondContact O-N 3.38Å; E159-M161 VanDerWaalsContact O-N 3.16Å
162N43.5Very low46.3Very low97 Ų97103 Ų10352%0.51961%0.609SS.*Hα-helixtrans-85-15.8-176.7-86.9-7.5000114.3T158 E159 L164 T165T158-N162 PolarHBondContact O-N 3.42Å; E159-N162 PolarHBondContact O-N 3.34Å; E159-N162 VanDerWaalsContact O-N 3.13Å; N162-L164 PolarHBondContact O-N 3.17Å; N162-T165 PolarHBondContact O-N 3.41Å; N162-T165 PolarHBondContact O-OG1 2.86Å; N162-T165 VanDerWaalsContact O-OG1 3.07Å
163G44.1Very low43.5Very low48 Ų48106.4 Ų106.450%0.49563%0.625SS.*THydrogen-bonded Turntrans-62.6-1.6174.900000115.3E159E159-G163 PolarHBondContact O-N 3.05Å
164L44.9Very low41.2Very low159 Ų159110.8 Ų110.883%0.83265%0.653SS**THydrogen-bonded Turntrans-100.9-7.9179.3-157.366.9000113.7N162N162-L164 PolarHBondContact O-N 3.17Å
165T35.8Very low39.2Very low90 Ų90112 Ų11255%0.55266%0.661SS**SBendtrans-108.4-11.1-16754.40000116.5N162N162-T165 PolarHBondContact O-N 3.41Å; N162-T165 PolarHBondContact O-OG1 2.86Å; N162-T165 VanDerWaalsContact O-OG1 3.07Å
166N36.5Very low37.6Very low160 Ų160116.5 Ų116.586%0.85669%0.689SS**SBendtrans-124.690.4-177-74.2-28.7000112.8
167G31.4Very low36.3Very low85 Ų85114.4 Ų114.488%0.87669%0.687SS**  trans163.8102.7166.600000112.7
168G28.7Very low35.4Very low74 Ų74113.7 Ų113.776%0.76369%0.686SS**  trans-136.1166.6161.400000110
169P44.4Very low35.1Very low130 Ų130114.1 Ų114.184%0.84469%0.689SS**  cis-130.5139.14.435.8-17.7000114.4
170A27.8Very low34.8Very low100 Ų100111.1 Ų111.183%0.82667%0.672SS**  trans-154.7118.1145.700000107.6A172A170-A172 PolarHBondContact O-N 3.33Å
171E33.7Very low34.4Very low186 Ų186119.3 Ų119.387%0.86970%0.7SS**  trans-55.2105.5-178.2-67171.9140.500111.5
172A26Very low34.9Very low83 Ų83115 Ų11569%0.68668%0.679SS**  trans-123.3104.5145.300000105.4A170 V174A170-A172 PolarHBondContact O-N 3.33Å; A172-V174 PolarHBondContact O-N 2.74Å
173H25.7Very low35.5Very low176 Ų176114.6 Ų114.682%0.81567%0.674SS**  trans-53.189170.2-87.1-124.7000109.6E175H173-E175 PolarHBondContact O-N 3.37Å
174V29.4Very low36.4Very low120 Ų120123.3 Ų123.373%0.72769%0.691SS**  trans-87.191.9156.7-1790000104.6A172 V176A172-V174 PolarHBondContact O-N 2.74Å; V174-V176 PolarHBondContact O-N 2.81Å
175E26.4Very low37.9Very low174 Ų174118.3 Ų118.381%0.81367%0.668SS**  trans-55.297.1163.8-166.8178.3-175.100106.7H173 V177H173-E175 PolarHBondContact O-N 3.37Å; E175-V177 VanDerWaalsContact C-N 3.27Å; E175-V177 PolarHBondContact O-N 2.81Å
176V27.3Very low40Very low120 Ų120116.7 Ų116.773%0.72766%0.658SS**  trans-60.296.9172.4174.40000105.2V174 P178V174-V176 PolarHBondContact O-N 2.81Å; V176-P178 WeakPolarHBondContact O-CD 3.1Å; V176-P178 WeakPolarHBondContact O-CG 3.4Å
177V25.5Very low42.3Very low115 Ų115114.4 Ų114.470%0.69765%0.651SS**  trans-56.2109.4173.7174.20000106.3E175 T179E175-V177 VanDerWaalsContact C-N 3.27Å; E175-V177 PolarHBondContact O-N 2.81Å; V177-T179 PolarHBondContact O-N 3.15Å; V177-T179 VanDerWaalsContact O-N 3.15Å
178P30.9Very low44.9Very low56 Ų56114.6 Ų114.636%0.36463%0.632SS.*  trans-67.2125.5-179.5-20.137.1000105.8V176 Y180V176-P178 WeakPolarHBondContact O-CD 3.1Å; V176-P178 WeakPolarHBondContact O-CG 3.4Å; P178-Y180 HydrophobicContact CB-CD1 3.83Å; P178-Y180 HydrophobicContact CB-CD2 4Å; P178-Y180 HydrophobicContact CB-CE1 3.51Å; P178-Y180 HydrophobicContact CB-CE2 3.67Å; P178-Y180 HydrophobicContact CB-CG 4.11Å; P178-Y180 VanDerWaalsContact CB-CZ 3.45Å; P178-Y180 HydrophobicContact CG-CE1 3.9Å; P178-Y180 HydrophobicContact CG-CE2 3.72Å; P178-Y180 WeakPolarHBondContact CG-OH 3.35Å; P178-Y180 WeakPolarHBondContact O-CD2 2.95Å; P178-Y180 PolarHBondContact O-N 2.74Å
179T34.8Very low47.6Very low116 Ų116111 Ų11171%0.71260%0.595SS**  trans-68.481.216634.60000107.6V177 R181V177-T179 PolarHBondContact O-N 3.15Å; V177-T179 VanDerWaalsContact O-N 3.15Å; T179-R181 PolarHBondContact O-N 2.84Å
180Y38.9Very low49.7Very low83 Ų83109.3 Ų109.333%0.32558%0.578SS.*  trans-69113.8175.5-60-70.1000108.4P178 Y245 L295P178-Y180 HydrophobicContact CB-CD1 3.83Å; P178-Y180 HydrophobicContact CB-CD2 4Å; P178-Y180 HydrophobicContact CB-CE1 3.51Å; P178-Y180 HydrophobicContact CB-CE2 3.67Å; P178-Y180 HydrophobicContact CB-CG 4.11Å; P178-Y180 VanDerWaalsContact CB-CZ 3.45Å; P178-Y180 HydrophobicContact CG-CE1 3.9Å; P178-Y180 HydrophobicContact CG-CE2 3.72Å; P178-Y180 WeakPolarHBondContact CG-OH 3.35Å; P178-Y180 WeakPolarHBondContact O-CD2 2.95Å; P178-Y180 PolarHBondContact O-N 2.74Å; Y180-Y245 HydrophobicContact CD2-CD2 4.14Å; Y180-Y245 HydrophobicContact CD2-CE1 4.2Å; Y180-Y245 AromaticContact CD2-CE2 3.61Å; Y180-Y245 HydrophobicContact CD2-CE2 3.61Å; Y180-Y245 AromaticContact CD2-CZ 3.64Å; Y180-Y245 HydrophobicContact CE2-CE1 4.49Å; Y180-Y245 AromaticContact CE2-CE2 3.9Å; Y180-Y245 HydrophobicContact CE2-CE2 3.9Å; Y180-Y245 AromaticContact CE2-CZ 3.7Å; Y180-Y245 WeakPolarHBondContact CE2-OH 3.25Å; Y180-Y245 HydrophobicContact CG-CE2 4.28Å; Y180-L295 HydrophobicContact CD1-CB 3.46Å; Y180-L295 VanDerWaalsContact CD1-CB 3.46Å; Y180-L295 HydrophobicContact CD1-CD1 3.74Å; Y180-L295 HydrophobicContact CD1-CD2 4.26Å; Y180-L295 HydrophobicContact CD1-CG 4Å; Y180-L295 HydrophobicContact CD2-CD1 4.33Å; Y180-L295 HydrophobicContact CE1-CB 4Å; Y180-L295 HydrophobicContact CE1-CD1 3.73Å; Y180-L295 HydrophobicContact CE1-CG 4.42Å; Y180-L295 HydrophobicContact CE2-CD1 4.35Å; Y180-L295 HydrophobicContact CG-CB 4.1Å; Y180-L295 HydrophobicContact CG-CD1 4.01Å; Y180-L295 HydrophobicContact CG-CD2 4.02Å; Y180-L295 HydrophobicContact CG-CG 4.25Å
181R43.8Very low52.8Low216 Ų216108.9 Ų108.982%0.81556%0.561SS**EExtended strand (participates in β ladder)trans-93.2118.2164-162.6173.2-177.1170.71.1106.9T179 Q183T179-R181 PolarHBondContact O-N 2.84Å; R181-Q183 PolarHBondContact O-N 3.25Å
182M52.8Low55.6Low28 Ų28100.2 Ų100.214%0.13852%0.521CS..EExtended strand (participates in β ladder)trans-61.4131.3176.3-67.5-78.9-87.200109.1Y242 R293 L295M182-Y242 VanDerWaalsContact CE-O 3.26Å; M182-Y242 WeakPolarHBondContact CE-O 3.38Å; M182-R293 VanDerWaalsContact CB-NH2 3.34Å; M182-R293 HydrophobicContact CE-CG 4.1Å; M182-L295 HydrophobicContact SD-CD2 3.51Å; M182-L295 VanDerWaalsContact SD-CD2 3.51Å
183Q57.8Low58.8Low88 Ų8898 Ų9841%0.41150%0.498SS..PPolyproline II helixtrans-50.9146.4178.4-174177500111R181 V185 R293R181-Q183 PolarHBondContact O-N 3.25Å; Q183-V185 PolarHBondContact O-N 3.49Å; Q183-R293 VanDerWaalsContact O-CZ 3.26Å; Q183-R293 PolarHBondContact O-NE 3.32Å; Q183-R293 PolarHBondContact O-NH2 3.41Å
184R62.4Low62.1Low230 Ų23093.8 Ų93.887%0.86848%0.484SS*.PPolyproline II helixtrans-48.7140.9177-72.9-176.4-176.5162.11.6110.7T186R184-T186 PolarHBondContact O-N 3.07Å
185V75Confident65.2Low55 Ų5590.1 Ų90.133%0.33346%0.46SS..PPolyproline II helixtrans-62123.7-179.2-174.30000108.6Q183 I190 Y242Q183-V185 PolarHBondContact O-N 3.49Å; V185-I190 HydrophobicContact CB-CG1 4.37Å; V185-I190 HydrophobicContact CG1-CG1 3.55Å; V185-Y242 HydrophobicContact CG1-CE1 3.85Å; V185-Y242 WeakPolarHBondContact CG1-OH 3.47Å
186T81.9Confident68.5Low56 Ų5682 Ų8234%0.34442%0.422SS..PPolyproline II helixtrans-73.4155.5176.159.90000110.2R184 L188 G189 I190R184-T186 PolarHBondContact O-N 3.07Å; T186-L188 PolarHBondContact O-N 2.84Å; T186-G189 CarbonylContact O-C 3.55Å; T186-G189 VanDerWaalsContact O-CA 3.32Å; T186-G189 WeakPolarHBondContact O-CA 3.47Å; T186-G189 PolarHBondContact O-N 3.2Å; T186-G189 PolarHBondContact OG1-N 2.95Å; T186-G189 VanDerWaalsContact OG1-N 3.1Å; T186-I190 PolarHBondContact O-N 3.21Å
187P83.1Confident71.7Confident111 Ų11181 Ų8172%0.72141%0.412SS*.Hα-helixtrans-55-38.9175.3-26.434.8000113G189 I190 L191P187-G189 VanDerWaalsContact C-N 3.29Å; P187-G189 PolarHBondContact O-N 3.38Å; P187-I190 PolarHBondContact O-N 3.34Å; P187-L191 PolarHBondContact O-N 2.78Å
188L86Confident75.1Confident89 Ų8979.1 Ų79.147%0.46640%0.396SS..Hα-helixtrans-65-34.2174.4-171.164.4000112.2T186 L191 S192T186-L188 PolarHBondContact O-N 2.84Å; L188-L191 HydrophobicContact CD1-CD2 4.45Å; L188-L191 PolarHBondContact O-N 2.86Å; L188-S192 WeakPolarHBondContact O-CB 3.33Å; L188-S192 PolarHBondContact O-N 3.2Å
189G86.9Confident78.2Confident0 Ų076.5 Ų76.50%038%0.379CS..Hα-helixtrans-68.2-37.7172.600000113.8T186 P187 S192 L193 Y242T186-G189 CarbonylContact O-C 3.55Å; T186-G189 VanDerWaalsContact O-CA 3.32Å; T186-G189 WeakPolarHBondContact O-CA 3.47Å; T186-G189 PolarHBondContact O-N 3.2Å; T186-G189 PolarHBondContact OG1-N 2.95Å; T186-G189 VanDerWaalsContact OG1-N 3.1Å; P187-G189 VanDerWaalsContact C-N 3.29Å; P187-G189 PolarHBondContact O-N 3.38Å; G189-S192 PolarHBondContact O-N 3.36Å; G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 PolarHBondContact O-N 3.28Å; G189-Y242 VanDerWaalsContact CA-OH 3.26Å; G189-Y242 WeakPolarHBondContact CA-OH 3.3Å
190I88.3Confident81.1Confident93 Ų9371.1 Ų71.148%0.47735%0.347SS..Hα-helixtrans-63.6-46.9172.5-60.4175.3000109.6V185 T186 P187 S192 L193 V194V185-I190 HydrophobicContact CB-CG1 4.37Å; V185-I190 HydrophobicContact CG1-CG1 3.55Å; T186-I190 PolarHBondContact O-N 3.21Å; P187-I190 PolarHBondContact O-N 3.34Å; I190-S192 VanDerWaalsContact C-N 3.33Å; I190-S192 PolarHBondContact O-N 3.16Å; I190-L193 WeakPolarHBondContact O-CB 3.44Å; I190-L193 PolarHBondContact O-N 2.95Å; I190-L193 VanDerWaalsContact O-N 3.13Å; I190-V194 HydrophobicContact CG2-CG2 4.42Å; I190-V194 WeakPolarHBondContact O-CG2 3.39Å; I190-V194 PolarHBondContact O-N 3.47Å
191L92.7Very high83.8Confident91 Ų9169.2 Ų69.248%0.47635%0.349SS..Hα-helixtrans-57.7-46.9176.3179.462.1000111.5P187 L188 L193 V194 L195P187-L191 PolarHBondContact O-N 2.78Å; L188-L191 HydrophobicContact CD1-CD2 4.45Å; L188-L191 PolarHBondContact O-N 2.86Å; L191-L193 VanDerWaalsContact C-N 3.3Å; L191-L193 PolarHBondContact O-N 3.34Å; L191-V194 PolarHBondContact O-N 2.89Å; L191-L195 HydrophobicContact CD1-CD1 4.14Å; L191-L195 HydrophobicContact CD1-CG 4.28Å; L191-L195 HydrophobicContact CG-CD1 4.04Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.08Å; L191-L195 PolarHBondContact O-N 3.44Å
192S92.8Very high86.2Confident5 Ų562.3 Ų62.34%0.03533%0.328CS..Hα-helixtrans-59.7-39.2175.9-174.70000112.6L188 G189 I190 N196 A286L188-S192 WeakPolarHBondContact O-CB 3.33Å; L188-S192 PolarHBondContact O-N 3.2Å; G189-S192 PolarHBondContact O-N 3.36Å; I190-S192 VanDerWaalsContact C-N 3.33Å; I190-S192 PolarHBondContact O-N 3.16Å; S192-N196 VanDerWaalsContact O-CB 3.3Å; S192-N196 WeakPolarHBondContact O-CB 3.33Å; S192-N196 PolarHBondContact O-N 2.68Å; S192-A286 VanDerWaalsContact OG-CA 3.27Å; S192-A286 WeakPolarHBondContact OG-CA 3.48Å; S192-A286 PolarHBondContact OG-N 3.43Å
193L92.9Very high88.2Confident36 Ų3661 Ų6119%0.18832%0.321CS..Hα-helixtrans-66.5-46.2178.8-173.770.1000111.1G189 I190 L191 N196 I197 C239 Y242 L243G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 PolarHBondContact O-N 3.28Å; I190-L193 WeakPolarHBondContact O-CB 3.44Å; I190-L193 PolarHBondContact O-N 2.95Å; I190-L193 VanDerWaalsContact O-N 3.13Å; L191-L193 VanDerWaalsContact C-N 3.3Å; L191-L193 PolarHBondContact O-N 3.34Å; L193-N196 PolarHBondContact O-N 3.01Å; L193-I197 HydrophobicContact CD1-CD1 4.47Å; L193-I197 HydrophobicContact CG-CD1 4.03Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.36Å; L193-I197 PolarHBondContact O-N 3.29Å; L193-C239 HydrophobicContact CD1-CB 3.78Å; L193-Y242 HydrophobicContact CD1-CD1 4.36Å; L193-L243 HydrophobicContact CD2-CD2 4.48Å
194V95.4Very high90Very high87 Ų8759.7 Ų59.753%0.52732%0.317SS..Hα-helixtrans-60.8-47.7178172.20000110.8I190 L191 N196 I197 M198I190-V194 HydrophobicContact CG2-CG2 4.42Å; I190-V194 WeakPolarHBondContact O-CG2 3.39Å; I190-V194 PolarHBondContact O-N 3.47Å; L191-V194 PolarHBondContact O-N 2.89Å; V194-N196 VanDerWaalsContact C-N 3.33Å; V194-N196 PolarHBondContact O-N 2.87Å; V194-I197 PolarHBondContact O-N 3.47Å; V194-M198 WeakPolarHBondContact O-CB 3.3Å; V194-M198 PolarHBondContact O-N 3.33Å
195L94.4Very high91.5Very high44 Ų4454 Ų5423%0.2330%0.302CS..Hα-helixtrans-62.1-40178.1-70.2172.4000112L191 M198 C199 F278 V282L191-L195 HydrophobicContact CD1-CD1 4.14Å; L191-L195 HydrophobicContact CD1-CG 4.28Å; L191-L195 HydrophobicContact CG-CD1 4.04Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.08Å; L191-L195 PolarHBondContact O-N 3.44Å; L195-M198 WeakPolarHBondContact O-CB 3.26Å; L195-M198 PolarHBondContact O-N 3.37Å; L195-C199 PolarHBondContact O-N 2.86Å; L195-F278 HydrophobicContact CD2-CZ 4.43Å; L195-V282 HydrophobicContact CB-CG1 3.86Å; L195-V282 HydrophobicContact CB-CG2 4.09Å
196N94.4Very high92.3Very high3 Ų355.7 Ų55.72%0.01630%0.303CS..Hα-helixtrans-69.6-38.1180-157.628.8000112.5S192 L193 V194 C199 G200 C235 Q238 C239 V282S192-N196 VanDerWaalsContact O-CB 3.3Å; S192-N196 WeakPolarHBondContact O-CB 3.33Å; S192-N196 PolarHBondContact O-N 2.68Å; L193-N196 PolarHBondContact O-N 3.01Å; V194-N196 VanDerWaalsContact C-N 3.33Å; V194-N196 PolarHBondContact O-N 2.87Å; N196-C199 PolarHBondContact O-N 3.2Å; N196-G200 PolarHBondContact O-N 2.91Å; N196-C235 PolarHBondContact ND2-O 3.22Å; N196-C235 VanDerWaalsContact ND2-O 3.15Å; N196-C235 PolarHBondContact OD1-SG 2.85Å; N196-Q238 WeakPolarHBondContact ND2-CB 3.32Å; N196-Q238 PolarHBondContact ND2-OE1 3.35Å; N196-Q238 PolarHBondContact OD1-OE1 2.95Å; N196-C239 PolarHBondContact ND2-SG 3.42Å; N196-V282 HydrophobicContact CB-CG1 4.22Å
197I95.5Very high92.8Very high100 Ų10053 Ų5351%0.51329%0.286SS..Hα-helixtrans-62.8-44.4172.3-68.7166.5000110.3L193 V194 C199 G200 A201L193-I197 HydrophobicContact CD1-CD1 4.47Å; L193-I197 HydrophobicContact CG-CD1 4.03Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.36Å; L193-I197 PolarHBondContact O-N 3.29Å; V194-I197 PolarHBondContact O-N 3.47Å; I197-C199 PolarHBondContact O-N 2.84Å; I197-G200 PolarHBondContact O-N 3.29Å; I197-A201 PolarHBondContact O-N 2.96Å
198M96.6Very high93.3Very high74 Ų7451.2 Ų51.237%0.36527%0.273SS..Hα-helixtrans-60.5-46.2177-167.5-146.37400111.4V194 L195 G200 A201 L202 F278V194-M198 WeakPolarHBondContact O-CB 3.3Å; V194-M198 PolarHBondContact O-N 3.33Å; L195-M198 WeakPolarHBondContact O-CB 3.26Å; L195-M198 PolarHBondContact O-N 3.37Å; M198-G200 VanDerWaalsContact C-N 3.33Å; M198-G200 PolarHBondContact O-N 3.39Å; M198-A201 PolarHBondContact O-N 3.24Å; M198-L202 HydrophobicContact CE-CD1 3.58Å; M198-L202 HydrophobicContact CE-CG 4.47Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 3.01Å; M198-F278 HydrophobicContact CE-CE1 3.42Å; M198-F278 VanDerWaalsContact CE-CE1 3.42Å; M198-F278 HydrophobicContact CE-CZ 3.59Å
199C95.6Very high93.5Very high1 Ų153.3 Ų53.31%0.00728%0.28CS..Hα-helixtrans-59.5-42.3174.7-80.50000112.3L195 N196 I197 L202 N203 F278 H279 V282L195-C199 PolarHBondContact O-N 2.86Å; N196-C199 PolarHBondContact O-N 3.2Å; I197-C199 PolarHBondContact O-N 2.84Å; C199-L202 PolarHBondContact O-N 3.06Å; C199-N203 WeakPolarHBondContact O-CB 3.46Å; C199-N203 PolarHBondContact O-N 3.44Å; C199-N203 PolarHBondContact O-ND2 3.26Å; C199-N203 VanDerWaalsContact O-ND2 3.14Å; C199-F278 VanDerWaalsContact SG-CE1 3.53Å; C199-H279 PolarHBondContact SG-ND1 3.09Å; C199-H279 VanDerWaalsContact SG-ND1 3.36Å; C199-V282 HydrophobicContact CB-CG1 4.48Å
200G94.9Very high93.5Very high3 Ų355.1 Ų55.13%0.03129%0.29CS..Hα-helixtrans-58.9-48.3173.900000112.1N196 I197 M198 L202 N203 L204 F232N196-G200 PolarHBondContact O-N 2.91Å; I197-G200 PolarHBondContact O-N 3.29Å; M198-G200 VanDerWaalsContact C-N 3.33Å; M198-G200 PolarHBondContact O-N 3.39Å; G200-L202 PolarHBondContact O-N 3.49Å; G200-N203 WeakPolarHBondContact O-CB 3.36Å; G200-N203 PolarHBondContact O-N 2.92Å; G200-L204 WeakPolarHBondContact O-CB 3.47Å; G200-L204 PolarHBondContact O-N 3.25Å; G200-F232 WeakPolarHBondContact O-CD2 3.41Å
201A96.1Very high93.5Very high44 Ų4451.3 Ų51.336%0.36427%0.272SS..Hα-helixtrans-61.5-43.7178.400000112.3I197 M198 N203 L204 I205I197-A201 PolarHBondContact O-N 2.96Å; M198-A201 PolarHBondContact O-N 3.24Å; A201-N203 VanDerWaalsContact C-N 3.34Å; A201-N203 PolarHBondContact O-N 2.57Å; A201-L204 PolarHBondContact O-N 3.01Å; A201-I205 VanDerWaalsContact O-CG1 3.25Å; A201-I205 WeakPolarHBondContact O-CG1 3.25Å; A201-I205 PolarHBondContact O-N 3.28Å
202L94.1Very high93.2Very high71 Ų7153.5 Ų53.537%0.37228%0.28SS..Hα-helixtrans-63.1-39.5176.3-69.5-179.7000112.5M198 C199 G200 R206M198-L202 HydrophobicContact CE-CD1 3.58Å; M198-L202 HydrophobicContact CE-CG 4.47Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 3.01Å; C199-L202 PolarHBondContact O-N 3.06Å; G200-L202 PolarHBondContact O-N 3.49Å; L202-R206 WeakPolarHBondContact O-CB 3.37Å; L202-R206 WeakPolarHBondContact O-CG 3.5Å; L202-R206 PolarHBondContact O-N 2.9Å; L202-R206 VanDerWaalsContact O-N 3.11Å
203N94.5Very high92.7Very high0 Ų059.6 Ų59.60%030%0.303CS..Hα-helixtrans-63.8-42175.1-71.7-26000111.3C199 G200 A201 G207 P231 F232 R271 H279C199-N203 WeakPolarHBondContact O-CB 3.46Å; C199-N203 PolarHBondContact O-N 3.44Å; C199-N203 PolarHBondContact O-ND2 3.26Å; C199-N203 VanDerWaalsContact O-ND2 3.14Å; G200-N203 WeakPolarHBondContact O-CB 3.36Å; G200-N203 PolarHBondContact O-N 2.92Å; A201-N203 VanDerWaalsContact C-N 3.34Å; A201-N203 PolarHBondContact O-N 2.57Å; N203-G207 PolarHBondContact O-N 2.92Å; N203-P231 WeakPolarHBondContact ND2-CB 3.32Å; N203-F232 HydrophobicContact CB-CB 3.98Å; N203-R271 VanDerWaalsContact OD1-CZ 3.29Å; N203-R271 PolarHBondContact OD1-NH1 2.99Å; N203-R271 PolarHBondContact OD1-NH2 3.4Å; N203-H279 PolarHBondContact OD1-CE1 3.43Å
204L95.7Very high92.1Very high60 Ų6058.6 Ų58.631%0.31430%0.299SS..Hα-helixtrans-65.4-49178-179.762.3000111.9G200 A201 R206 G207 V208 F229 F232G200-L204 WeakPolarHBondContact O-CB 3.47Å; G200-L204 PolarHBondContact O-N 3.25Å; A201-L204 PolarHBondContact O-N 3.01Å; L204-R206 PolarHBondContact O-N 3.5Å; L204-G207 PolarHBondContact O-N 3.47Å; L204-V208 HydrophobicContact CD1-CG2 4.05Å; L204-V208 HydrophobicContact CG-CG2 4.48Å; L204-V208 WeakPolarHBondContact O-CG2 3.09Å; L204-V208 PolarHBondContact O-N 2.99Å; L204-F229 HydrophobicContact CD1-CD1 4.21Å; L204-F229 HydrophobicContact CD1-CE1 3.55Å; L204-F229 HydrophobicContact CD1-CZ 4.38Å; L204-F232 HydrophobicContact CB-CD2 3.93Å; L204-F232 HydrophobicContact CB-CE2 4.22Å; L204-F232 HydrophobicContact CB-CG 4.22Å; L204-F232 HydrophobicContact CD1-CD1 4.34Å; L204-F232 HydrophobicContact CD1-CE1 4.27Å; L204-F232 HydrophobicContact CD1-CZ 4.43Å; L204-F232 HydrophobicContact CD2-CE2 4.03Å; L204-F232 HydrophobicContact CD2-CZ 4.12Å
205I94.5Very high91.1Very high110 Ų11062.4 Ų62.456%0.56431%0.309SS*.Hα-helixtrans-58.9-48.5180-67.8163.2000110.3A201 H209A201-I205 VanDerWaalsContact O-CG1 3.25Å; A201-I205 WeakPolarHBondContact O-CG1 3.25Å; A201-I205 PolarHBondContact O-N 3.28Å; I205-H209 WeakPolarHBondContact O-CB 3.39Å; I205-H209 PolarHBondContact O-N 3.27Å
206R92Very high90Very high92 Ų9268.2 Ų68.235%0.34734%0.335SS..Hα-helixtrans-67-38.1178.2-72.1-170179.8-177.67.1112.5L202 L204 L210 F228L202-R206 WeakPolarHBondContact O-CB 3.37Å; L202-R206 WeakPolarHBondContact O-CG 3.5Å; L202-R206 PolarHBondContact O-N 2.9Å; L202-R206 VanDerWaalsContact O-N 3.11Å; L204-R206 PolarHBondContact O-N 3.5Å; R206-L210 VanDerWaalsContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CB 3.18Å; R206-L210 PolarHBondContact O-N 2.98Å; R206-F228 HydrophobicContact CB-CD1 3.66Å; R206-F228 HydrophobicContact CB-CE1 3.53Å; R206-F228 HydrophobicContact CB-CG 4.43Å; R206-F228 HydrophobicContact CB-CZ 4.21Å; R206-F228 HydrophobicContact CG-CE1 4.29Å
207G92.4Very high88.6Confident0 Ų073.6 Ų73.60%036%0.36CS..Hα-helixtrans-63.8-44177.300000112.6N203 L204 L210 A211N203-G207 PolarHBondContact O-N 2.92Å; L204-G207 PolarHBondContact O-N 3.47Å; G207-L210 PolarHBondContact O-N 3.04Å; G207-A211 VanDerWaalsContact O-CB 3.27Å; G207-A211 WeakPolarHBondContact O-CB 3.47Å; G207-A211 PolarHBondContact O-N 2.87Å
208V93Very high87.1Confident72 Ų7276 Ų7644%0.43637%0.374SS..Hα-helixtrans-65.3-46.8176.7171.50000111L204 L210 A211 E212 F229L204-V208 HydrophobicContact CD1-CG2 4.05Å; L204-V208 HydrophobicContact CG-CG2 4.48Å; L204-V208 WeakPolarHBondContact O-CG2 3.09Å; L204-V208 PolarHBondContact O-N 2.99Å; V208-L210 VanDerWaalsContact C-N 3.28Å; V208-L210 PolarHBondContact O-N 3.43Å; V208-A211 WeakPolarHBondContact O-CB 3.18Å; V208-A211 PolarHBondContact O-N 2.9Å; V208-A211 VanDerWaalsContact O-N 3.15Å; V208-E212 PolarHBondContact O-N 3.38Å; V208-F229 HydrophobicContact CG2-CE1 4.4Å; V208-F229 HydrophobicContact CG2-CZ 3.88Å
209H90.1Very high85.4Confident134 Ų13479.6 Ų79.662%0.6239%0.389SS*.Hα-helixtrans-63.5-35.4179.9-162.5-60.3000112.3I205 Y213I205-H209 WeakPolarHBondContact O-CB 3.39Å; I205-H209 PolarHBondContact O-N 3.27Å; H209-Y213 PolarHBondContact O-N 3.34Å
210L87.8Confident83.9Confident38 Ų3888.8 Ų88.820%0.19943%0.432CS..Hα-helixtrans-75.6-34175.1-171.963.1000112.1R206 G207 V208 Y213 S214 N224 V225 F228 L270R206-L210 VanDerWaalsContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CB 3.18Å; R206-L210 PolarHBondContact O-N 2.98Å; G207-L210 PolarHBondContact O-N 3.04Å; V208-L210 VanDerWaalsContact C-N 3.28Å; V208-L210 PolarHBondContact O-N 3.43Å; L210-Y213 PolarHBondContact O-N 2.88Å; L210-S214 VanDerWaalsContact O-CB 3.3Å; L210-S214 WeakPolarHBondContact O-CB 3.22Å; L210-S214 PolarHBondContact O-N 3.46Å; L210-S214 PolarHBondContact O-OG 3.46Å; L210-N224 HydrophobicContact CD2-CB 3.56Å; L210-V225 HydrophobicContact CB-CG2 4.35Å; L210-V225 HydrophobicContact CD2-CG2 4.29Å; L210-V225 HydrophobicContact CG-CG2 4.01Å; L210-F228 HydrophobicContact CD2-CD2 3.83Å; L210-F228 HydrophobicContact CD2-CE2 3.75Å; L210-L270 HydrophobicContact CD2-CD1 4.37Å
211A88.3Confident82.9Confident13 Ų1389.4 Ų89.411%0.10744%0.438CS..Hα-helixtrans-63.5-47.6175.300000110.8G207 V208 Y213 S214 F215 V225G207-A211 VanDerWaalsContact O-CB 3.27Å; G207-A211 WeakPolarHBondContact O-CB 3.47Å; G207-A211 PolarHBondContact O-N 2.87Å; V208-A211 WeakPolarHBondContact O-CB 3.18Å; V208-A211 PolarHBondContact O-N 2.9Å; V208-A211 VanDerWaalsContact O-N 3.15Å; A211-Y213 VanDerWaalsContact C-N 3.3Å; A211-Y213 PolarHBondContact O-N 2.96Å; A211-S214 PolarHBondContact O-N 3.5Å; A211-S214 VanDerWaalsContact O-N 3.11Å; A211-F215 HydrophobicContact CB-CD2 4.48Å; A211-F215 HydrophobicContact CB-CE2 4.4Å; A211-F215 WeakPolarHBondContact O-CD2 3.44Å; A211-F215 PolarHBondContact O-N 3.41Å; A211-V225 HydrophobicContact CB-CG1 3.8Å; A211-V225 HydrophobicContact CB-CG2 4.17Å
212E86.8Confident82.3Confident137 Ų13791.8 Ų91.864%0.6445%0.445SS*.Hα-helixtrans-55.9-45177.3-171.7171.3-168.200111.6V208V208-E212 PolarHBondContact O-N 3.38Å
213Y81.9Confident82Confident132 Ų13289.9 Ų89.952%0.51844%0.443SS..Hα-helixtrans-65-44.5174.2-173.8-87.7000112.7H209 L210 A211 F215 Q216 E217H209-Y213 PolarHBondContact O-N 3.34Å; L210-Y213 PolarHBondContact O-N 2.88Å; A211-Y213 VanDerWaalsContact C-N 3.3Å; A211-Y213 PolarHBondContact O-N 2.96Å; Y213-F215 VanDerWaalsContact C-N 3.29Å; Y213-F215 PolarHBondContact O-N 3.23Å; Y213-Q216 WeakPolarHBondContact O-CB 3.34Å; Y213-Q216 PolarHBondContact O-N 2.89Å; Y213-E217 WeakPolarHBondContact CE1-OE2 3.37Å; Y213-E217 PolarHBondContact O-N 2.93Å; Y213-E217 PolarHBondContact OH-OE1 3.3Å; Y213-E217 PolarHBondContact OH-OE2 3.48Å
214S80.8Confident81.7Confident16 Ų1692.1 Ų92.111%0.11246%0.455CS..Hα-helixtrans-70.6-21.2-177.5-54.80000113.7L210 A211L210-S214 VanDerWaalsContact O-CB 3.3Å; L210-S214 WeakPolarHBondContact O-CB 3.22Å; L210-S214 PolarHBondContact O-N 3.46Å; L210-S214 PolarHBondContact O-OG 3.46Å; A211-S214 PolarHBondContact O-N 3.5Å; A211-S214 VanDerWaalsContact O-N 3.11Å
215F73.8Confident81.5Confident167 Ų16789.9 Ų89.973%0.73244%0.443SS*.THydrogen-bonded Turntrans-75.6-15.6172-85.4-68.3000112.5A211 Y213A211-F215 HydrophobicContact CB-CD2 4.48Å; A211-F215 HydrophobicContact CB-CE2 4.4Å; A211-F215 WeakPolarHBondContact O-CD2 3.44Å; A211-F215 PolarHBondContact O-N 3.41Å; Y213-F215 VanDerWaalsContact C-N 3.29Å; Y213-F215 PolarHBondContact O-N 3.23Å
216Q72.1Confident81.3Confident166 Ų16689.2 Ų89.278%0.77644%0.44SS*.THydrogen-bonded Turntrans-95.3-21.6-178.7-162.2161.1-22.700113Y213Y213-Q216 WeakPolarHBondContact O-CB 3.34Å; Y213-Q216 PolarHBondContact O-N 2.89Å
217E65.2Low81.4Confident116 Ų11685.1 Ų85.154%0.54243%0.426SS..SBendtrans-125.4114.8176.5-64.5-168.9154.800110.7Y213 H219Y213-E217 WeakPolarHBondContact CE1-OE2 3.37Å; Y213-E217 PolarHBondContact O-N 2.93Å; Y213-E217 PolarHBondContact OH-OE1 3.3Å; Y213-E217 PolarHBondContact OH-OE2 3.48Å; E217-H219 PolarHBondContact O-N 3.18Å
218D62.3Low81.4Confident151 Ų15185.5 Ų85.581%0.80743%0.427SS*.  trans-16.289.2-179.4-72.2-37.3000117.6E220D218-E220 PolarHBondContact O-N 3Å
219H62Low81.5Confident149 Ų14985.1 Ų85.169%0.6942%0.42SS*.SBendtrans44-2.7157.7-69.7-46.4000121.9E217 G221E217-H219 PolarHBondContact O-N 3.18Å; H219-G221 VanDerWaalsContact C-N 3.28Å; H219-G221 PolarHBondContact O-N 3.1Å
220E62.9Low81.7Confident193 Ų19382.3 Ų82.390%0.90241%0.409SS*.THydrogen-bonded Turntrans-73.9-17.4-177.1-72.2-170.716200112.9D218D218-E220 PolarHBondContact O-N 3Å
221G74.6Confident82Confident16 Ų1680.5 Ų80.517%0.16540%0.4CS..THydrogen-bonded Turntrans-88.2-6.3-178.400000116.4H219 G223 N224 V225H219-G221 VanDerWaalsContact C-N 3.28Å; H219-G221 PolarHBondContact O-N 3.1Å; G221-G223 VanDerWaalsContact C-N 3.3Å; G221-G223 PolarHBondContact O-N 3.18Å; G221-N224 PolarHBondContact O-N 3.42Å; G221-N224 VanDerWaalsContact O-N 3.09Å; G221-V225 PolarHBondContact O-N 3.47Å
222L84.6Confident82.3Confident94 Ų9482.2 Ų82.249%0.49241%0.405SS..Hα-helixtrans-61.3-36-169.3-173.365.6000113.2N224 V225 I226L222-N224 VanDerWaalsContact C-N 3.32Å; L222-N224 PolarHBondContact O-N 3.26Å; L222-V225 WeakPolarHBondContact O-CB 3.33Å; L222-V225 PolarHBondContact O-N 3.26Å; L222-I226 HydrophobicContact CG-CD1 4.01Å; L222-I226 HydrophobicContact CG-CG1 4.48Å; L222-I226 WeakPolarHBondContact O-CG1 3.33Å; L222-I226 PolarHBondContact O-N 3.15Å
223G86.1Confident82.7Confident32 Ų3279.7 Ų79.733%0.3340%0.395SS..Hα-helixtrans-60.6-40.4177.300000112.7G221 I226 A227G221-G223 VanDerWaalsContact C-N 3.3Å; G221-G223 PolarHBondContact O-N 3.18Å; G223-I226 PolarHBondContact O-N 2.95Å; G223-A227 WeakPolarHBondContact O-CB 3.32Å; G223-A227 PolarHBondContact O-N 3.1Å
224N88.9Confident83.3Confident47 Ų4773.6 Ų73.625%0.25137%0.372SS..Hα-helixtrans-69-41.2177.5-66.2-34.4000111.2L210 G221 L222 I226 A227 F228 Y266 L267 L270L210-N224 HydrophobicContact CD2-CB 3.56Å; G221-N224 PolarHBondContact O-N 3.42Å; G221-N224 VanDerWaalsContact O-N 3.09Å; L222-N224 VanDerWaalsContact C-N 3.32Å; L222-N224 PolarHBondContact O-N 3.26Å; N224-I226 PolarHBondContact O-N 3.39Å; N224-A227 WeakPolarHBondContact O-CB 3.43Å; N224-A227 PolarHBondContact O-N 2.91Å; N224-A227 VanDerWaalsContact O-N 3.17Å; N224-F228 WeakPolarHBondContact O-CD2 3.39Å; N224-F228 PolarHBondContact O-N 2.94Å; N224-F228 VanDerWaalsContact O-N 3.08Å; N224-Y266 WeakPolarHBondContact OD1-CE1 3.33Å; N224-L267 HydrophobicContact CB-CD2 4.46Å; N224-L270 HydrophobicContact CB-CD1 3.93Å
225V91Very high83.9Confident13 Ų1373 Ų738%0.07937%0.368CS..Hα-helixtrans-57.4-51.1174.9176.40000110.4L210 A211 G221 L222 A227 F228 F229L210-V225 HydrophobicContact CB-CG2 4.35Å; L210-V225 HydrophobicContact CD2-CG2 4.29Å; L210-V225 HydrophobicContact CG-CG2 4.01Å; A211-V225 HydrophobicContact CB-CG1 3.8Å; A211-V225 HydrophobicContact CB-CG2 4.17Å; G221-V225 PolarHBondContact O-N 3.47Å; L222-V225 WeakPolarHBondContact O-CB 3.33Å; L222-V225 PolarHBondContact O-N 3.26Å; V225-A227 VanDerWaalsContact C-N 3.27Å; V225-A227 PolarHBondContact O-N 3.45Å; V225-F228 PolarHBondContact O-N 3.46Å; V225-F229 HydrophobicContact CG1-CD2 3.65Å; V225-F229 HydrophobicContact CG1-CE2 3.6Å; V225-F229 VanDerWaalsContact O-CD2 3.28Å; V225-F229 WeakPolarHBondContact O-CD2 3.28Å; V225-F229 PolarHBondContact O-N 3.02Å
226I91.4Very high84.8Confident96 Ų9668.6 Ų68.649%0.49235%0.354SS..Hα-helixtrans-57.7-41.8176.6-66.9167.5000110.8L222 G223 N224 F228 F229 L230L222-I226 HydrophobicContact CG-CD1 4.01Å; L222-I226 HydrophobicContact CG-CG1 4.48Å; L222-I226 WeakPolarHBondContact O-CG1 3.33Å; L222-I226 PolarHBondContact O-N 3.15Å; G223-I226 PolarHBondContact O-N 2.95Å; N224-I226 PolarHBondContact O-N 3.39Å; I226-F228 PolarHBondContact O-N 3.13Å; I226-F229 PolarHBondContact O-N 3.45Å; I226-L230 VanDerWaalsContact O-CB 3.32Å; I226-L230 WeakPolarHBondContact O-CB 3.39Å; I226-L230 PolarHBondContact O-N 2.93Å
227A93.1Very high85.8Confident6 Ų666 Ų665%0.0534%0.341CS..Hα-helixtrans-66.7-18.3178.400000114.1G223 N224 V225 P231 Y266 L267G223-A227 WeakPolarHBondContact O-CB 3.32Å; G223-A227 PolarHBondContact O-N 3.1Å; N224-A227 WeakPolarHBondContact O-CB 3.43Å; N224-A227 PolarHBondContact O-N 2.91Å; N224-A227 VanDerWaalsContact O-N 3.17Å; V225-A227 VanDerWaalsContact C-N 3.27Å; V225-A227 PolarHBondContact O-N 3.45Å; A227-P231 WeakPolarHBondContact O-CD 3.3Å; A227-P231 WeakPolarHBondContact O-CG 3.35Å; A227-Y266 HydrophobicContact CB-CD1 3.54Å; A227-Y266 HydrophobicContact CB-CE1 4.03Å; A227-L267 HydrophobicContact CB-CD1 4.26Å; A227-L267 HydrophobicContact CB-CD2 3.79Å; A227-L267 HydrophobicContact CB-CG 3.87Å; A227-L267 WeakPolarHBondContact O-CD1 3.38Å
228F93.4Very high87.1Confident7 Ų760.4 Ų60.43%0.03132%0.315CS..Hα-helixtrans-85.7-39.9168.5-81.2-80000112.6R206 L210 N224 V225 I226 F232 L267 L270R206-F228 HydrophobicContact CB-CD1 3.66Å; R206-F228 HydrophobicContact CB-CE1 3.53Å; R206-F228 HydrophobicContact CB-CG 4.43Å; R206-F228 HydrophobicContact CB-CZ 4.21Å; R206-F228 HydrophobicContact CG-CE1 4.29Å; L210-F228 HydrophobicContact CD2-CD2 3.83Å; L210-F228 HydrophobicContact CD2-CE2 3.75Å; N224-F228 WeakPolarHBondContact O-CD2 3.39Å; N224-F228 PolarHBondContact O-N 2.94Å; N224-F228 VanDerWaalsContact O-N 3.08Å; V225-F228 PolarHBondContact O-N 3.46Å; I226-F228 PolarHBondContact O-N 3.13Å; F228-F232 PolarHBondContact O-N 2.89Å; F228-L267 HydrophobicContact CD1-CD1 3.89Å; F228-L267 HydrophobicContact CD2-CD1 3.98Å; F228-L267 HydrophobicContact CD2-CD2 3.82Å; F228-L267 HydrophobicContact CE1-CD1 3.81Å; F228-L267 HydrophobicContact CE2-CD1 3.89Å; F228-L267 HydrophobicContact CE2-CD2 3.46Å; F228-L267 VanDerWaalsContact CE2-CD2 3.46Å; F228-L267 HydrophobicContact CE2-CG 4.3Å; F228-L267 HydrophobicContact CG-CD1 3.94Å; F228-L267 HydrophobicContact CZ-CD1 3.79Å; F228-L267 HydrophobicContact CZ-CD2 3.99Å; F228-L267 HydrophobicContact CZ-CG 4.43Å; F228-L270 HydrophobicContact CE2-CD1 4.15Å; F228-L270 HydrophobicContact CZ-CB 4.47Å
229F94.3Very high88.5Confident64 Ų6454 Ų5428%0.28128%0.281SS..Hα-helixtrans-73.1-34.7-179.3-80.6-77.4000113.5L204 V208 V225 I226 F232 L233L204-F229 HydrophobicContact CD1-CD1 4.21Å; L204-F229 HydrophobicContact CD1-CE1 3.55Å; L204-F229 HydrophobicContact CD1-CZ 4.38Å; V208-F229 HydrophobicContact CG2-CE1 4.4Å; V208-F229 HydrophobicContact CG2-CZ 3.88Å; V225-F229 HydrophobicContact CG1-CD2 3.65Å; V225-F229 HydrophobicContact CG1-CE2 3.6Å; V225-F229 VanDerWaalsContact O-CD2 3.28Å; V225-F229 WeakPolarHBondContact O-CD2 3.28Å; V225-F229 PolarHBondContact O-N 3.02Å; I226-F229 PolarHBondContact O-N 3.45Å; F229-F232 HydrophobicContact CD1-CD1 4.43Å; F229-F232 WeakPolarHBondContact O-CB 3.16Å; F229-F232 PolarHBondContact O-N 2.93Å; F229-L233 PolarHBondContact O-N 3.25Å
230L94.7Very high89.8Confident76 Ų7652.8 Ų52.840%0.39827%0.272SS..Hα-helixtrans-64.1-44.6-178.2-174.662.1000112.3I226 F232 L233 A234 C263I226-L230 VanDerWaalsContact O-CB 3.32Å; I226-L230 WeakPolarHBondContact O-CB 3.39Å; I226-L230 PolarHBondContact O-N 2.93Å; L230-F232 PolarHBondContact O-N 3.35Å; L230-L233 PolarHBondContact O-N 3.15Å; L230-A234 WeakPolarHBondContact O-CB 3.26Å; L230-A234 PolarHBondContact O-N 3.45Å; L230-C263 VanDerWaalsContact CD2-SG 3.52Å
231P93.4Very high91Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-63.4-34.3169-29.740000114.9N203 A227 A234 C235 C263N203-P231 WeakPolarHBondContact ND2-CB 3.32Å; A227-P231 WeakPolarHBondContact O-CD 3.3Å; A227-P231 WeakPolarHBondContact O-CG 3.35Å; P231-A234 PolarHBondContact O-N 3.25Å; P231-C235 WeakPolarHBondContact O-CB 3.5Å; P231-C235 PolarHBondContact O-N 3.25Å; P231-C235 PolarHBondContact O-SG 2.88Å; P231-C263 HydrophobicContact CG-CB 3.26Å
232F95.5Very high91.5Very high48 Ų4843.6 Ų43.621%0.21122%0.224CC..Hα-helixtrans-60.4-51.8174.7158.2-107.6000110.9G200 N203 L204 F228 F229 L230 A234 C235 V236G200-F232 WeakPolarHBondContact O-CD2 3.41Å; N203-F232 HydrophobicContact CB-CB 3.98Å; L204-F232 HydrophobicContact CB-CD2 3.93Å; L204-F232 HydrophobicContact CB-CE2 4.22Å; L204-F232 HydrophobicContact CB-CG 4.22Å; L204-F232 HydrophobicContact CD1-CD1 4.34Å; L204-F232 HydrophobicContact CD1-CE1 4.27Å; L204-F232 HydrophobicContact CD1-CZ 4.43Å; L204-F232 HydrophobicContact CD2-CE2 4.03Å; L204-F232 HydrophobicContact CD2-CZ 4.12Å; F228-F232 PolarHBondContact O-N 2.89Å; F229-F232 HydrophobicContact CD1-CD1 4.43Å; F229-F232 WeakPolarHBondContact O-CB 3.16Å; F229-F232 PolarHBondContact O-N 2.93Å; L230-F232 PolarHBondContact O-N 3.35Å; F232-A234 VanDerWaalsContact C-N 3.27Å; F232-A234 PolarHBondContact O-N 2.89Å; F232-C235 PolarHBondContact O-N 3.47Å; F232-V236 HydrophobicContact CD2-CG2 4.35Å; F232-V236 HydrophobicContact CE2-CG2 3.9Å; F232-V236 HydrophobicContact CZ-CG2 4.14Å; F232-V236 WeakPolarHBondContact O-CG2 3.27Å; F232-V236 PolarHBondContact O-N 3.24Å; F232-V236 VanDerWaalsContact O-N 3.1Å
233L95.6Very high91.5Very high85 Ų8543.4 Ų43.445%0.44522%0.223SC..Hα-helixtrans-59.6-41.8176-68.2174.1000110.8F229 L230 C235 V236 F237F229-L233 PolarHBondContact O-N 3.25Å; L230-L233 PolarHBondContact O-N 3.15Å; L233-C235 PolarHBondContact O-N 3.44Å; L233-V236 PolarHBondContact O-N 3.24Å; L233-F237 HydrophobicContact CB-CD2 4.44Å; L233-F237 HydrophobicContact CB-CE2 4.37Å; L233-F237 WeakPolarHBondContact O-CD2 3.47Å; L233-F237 PolarHBondContact O-N 2.93Å
234A94.1Very high91Very high3 Ų344.3 Ų44.33%0.02522%0.224CC..Hα-helixtrans-62.8-39.7178.500000113.1L230 P231 F232 F237 Q238 L256 V260L230-A234 WeakPolarHBondContact O-CB 3.26Å; L230-A234 PolarHBondContact O-N 3.45Å; P231-A234 PolarHBondContact O-N 3.25Å; F232-A234 VanDerWaalsContact C-N 3.27Å; F232-A234 PolarHBondContact O-N 2.89Å; A234-F237 PolarHBondContact O-N 3.34Å; A234-Q238 WeakPolarHBondContact O-CB 3.32Å; A234-Q238 WeakPolarHBondContact O-CG 3.28Å; A234-Q238 PolarHBondContact O-N 3.37Å; A234-L256 HydrophobicContact CB-CD2 4Å; A234-V260 HydrophobicContact CB-CG2 3.55Å
235C93.5Very high90.3Very high4 Ų447 Ų473%0.02723%0.232CC..Hα-helixtrans-61.6-43.7173.1-72.70000111.7N196 P231 F232 L233 Q238 C239N196-C235 PolarHBondContact ND2-O 3.22Å; N196-C235 VanDerWaalsContact ND2-O 3.15Å; N196-C235 PolarHBondContact OD1-SG 2.85Å; P231-C235 WeakPolarHBondContact O-CB 3.5Å; P231-C235 PolarHBondContact O-N 3.25Å; P231-C235 PolarHBondContact O-SG 2.88Å; F232-C235 PolarHBondContact O-N 3.47Å; L233-C235 PolarHBondContact O-N 3.44Å; C235-Q238 PolarHBondContact O-N 2.97Å; C235-C239 PolarHBondContact O-N 3.3Å; C235-C239 PolarHBondContact O-SG 3.43Å
236V92.8Very high89.6Confident74 Ų7447 Ų4745%0.44823%0.232SC..Hα-helixtrans-61.1-46.51761740000111F232 L233 Q238 C239 Y240F232-V236 HydrophobicContact CD2-CG2 4.35Å; F232-V236 HydrophobicContact CE2-CG2 3.9Å; F232-V236 HydrophobicContact CZ-CG2 4.14Å; F232-V236 WeakPolarHBondContact O-CG2 3.27Å; F232-V236 PolarHBondContact O-N 3.24Å; F232-V236 VanDerWaalsContact O-N 3.1Å; L233-V236 PolarHBondContact O-N 3.24Å; V236-Q238 VanDerWaalsContact C-N 3.35Å; V236-Q238 PolarHBondContact O-N 3.42Å; V236-C239 WeakPolarHBondContact O-CB 3.1Å; V236-C239 PolarHBondContact O-N 3.01Å; V236-Y240 PolarHBondContact O-N 3.25Å
237F92.3Very high88Confident111 Ų11147.8 Ų47.849%0.48725%0.246SC..Hα-helixtrans-66.1-34.8177.4-75.7-63.2000112.7L233 A234 Y240 L241 L256L233-F237 HydrophobicContact CB-CD2 4.44Å; L233-F237 HydrophobicContact CB-CE2 4.37Å; L233-F237 WeakPolarHBondContact O-CD2 3.47Å; L233-F237 PolarHBondContact O-N 2.93Å; A234-F237 PolarHBondContact O-N 3.34Å; F237-Y240 PolarHBondContact O-N 2.95Å; F237-L241 WeakPolarHBondContact O-CB 3.45Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.38Å; F237-L241 PolarHBondContact O-N 3.49Å; F237-L256 HydrophobicContact CB-CD1 3.69Å; F237-L256 HydrophobicContact CB-CD2 3.84Å; F237-L256 HydrophobicContact CB-CG 4.45Å; F237-L256 HydrophobicContact CD2-CD2 4.5Å
238Q92.4Very high87.4Confident0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-64.1-42.5172.3-79.4176-29.400111.6N196 A234 C235 V236 Y240 L241 Y242 L256 S287 I290N196-Q238 WeakPolarHBondContact ND2-CB 3.32Å; N196-Q238 PolarHBondContact ND2-OE1 3.35Å; N196-Q238 PolarHBondContact OD1-OE1 2.95Å; A234-Q238 WeakPolarHBondContact O-CB 3.32Å; A234-Q238 WeakPolarHBondContact O-CG 3.28Å; A234-Q238 PolarHBondContact O-N 3.37Å; C235-Q238 PolarHBondContact O-N 2.97Å; V236-Q238 VanDerWaalsContact C-N 3.35Å; V236-Q238 PolarHBondContact O-N 3.42Å; Q238-Y240 VanDerWaalsContact C-N 3.34Å; Q238-Y240 PolarHBondContact O-N 2.92Å; Q238-L241 PolarHBondContact O-N 3.18Å; Q238-Y242 WeakPolarHBondContact O-CB 3.49Å; Q238-Y242 PolarHBondContact O-N 2.98Å; Q238-L256 HydrophobicContact CG-CB 4.01Å; Q238-L256 HydrophobicContact CG-CD1 3.99Å; Q238-S287 PolarHBondContact NE2-OG 2.95Å; Q238-I290 HydrophobicContact CB-CD1 3.99Å; Q238-I290 HydrophobicContact CG-CD1 4.21Å; Q238-I290 WeakPolarHBondContact O-CD1 3.25Å
239C91.3Very high86.7Confident16 Ų1650.5 Ų50.511%0.10826%0.262CS..Hα-helixtrans-61.2-42.9173.2-66.90000111.6L193 N196 C235 V236 Y242 L243L193-C239 HydrophobicContact CD1-CB 3.78Å; N196-C239 PolarHBondContact ND2-SG 3.42Å; C235-C239 PolarHBondContact O-N 3.3Å; C235-C239 PolarHBondContact O-SG 3.43Å; V236-C239 WeakPolarHBondContact O-CB 3.1Å; V236-C239 PolarHBondContact O-N 3.01Å; C239-Y242 WeakPolarHBondContact O-CB 3.25Å; C239-Y242 PolarHBondContact O-N 3.07Å; C239-L243 WeakPolarHBondContact O-CG 3.47Å; C239-L243 PolarHBondContact O-N 3.06Å
240Y89.1Confident86.2Confident124 Ų12454.3 Ų54.349%0.48628%0.279SS..Hα-helixtrans-61.6-48.4175.1173.9-96.6000112.1V236 F237 Q238 Y242 L243 C244V236-Y240 PolarHBondContact O-N 3.25Å; F237-Y240 PolarHBondContact O-N 2.95Å; Q238-Y240 VanDerWaalsContact C-N 3.34Å; Q238-Y240 PolarHBondContact O-N 2.92Å; Y240-Y242 PolarHBondContact O-N 3.22Å; Y240-L243 PolarHBondContact O-N 3.39Å; Y240-L243 VanDerWaalsContact O-N 3.16Å; Y240-C244 HydrophobicContact CD2-CB 4.15Å; Y240-C244 HydrophobicContact CE1-CB 4.32Å; Y240-C244 HydrophobicContact CE2-CB 3.76Å; Y240-C244 WeakPolarHBondContact O-CB 3.34Å; Y240-C244 PolarHBondContact O-N 3.45Å
241L88.2Confident85.9Confident5 Ų557.2 Ų57.23%0.02629%0.292CS..Hα-helixtrans-65.5-27.7177.1-71.2179.3000112.9F237 Q238 K252 L256 I290F237-L241 WeakPolarHBondContact O-CB 3.45Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.38Å; F237-L241 PolarHBondContact O-N 3.49Å; Q238-L241 PolarHBondContact O-N 3.18Å; L241-K252 HydrophobicContact CD1-CB 3.66Å; L241-K252 HydrophobicContact CD2-CB 4.38Å; L241-K252 HydrophobicContact CD2-CD 4.05Å; L241-L256 HydrophobicContact CD1-CD1 3.48Å; L241-L256 VanDerWaalsContact CD1-CD1 3.48Å; L241-L256 HydrophobicContact CG-CD1 4.46Å; L241-I290 HydrophobicContact CB-CD1 4.39Å; L241-I290 HydrophobicContact CB-CG2 4.21Å
242Y86.2Confident85.7Confident10 Ų1061.7 Ų61.74%0.03931%0.311CS..Hα-helixtrans-68.1-47172.4-174.3-112.8000110.2M182 V185 G189 L193 Q238 C239 Y240 Q289 I290 R293M182-Y242 VanDerWaalsContact CE-O 3.26Å; M182-Y242 WeakPolarHBondContact CE-O 3.38Å; V185-Y242 HydrophobicContact CG1-CE1 3.85Å; V185-Y242 WeakPolarHBondContact CG1-OH 3.47Å; G189-Y242 VanDerWaalsContact CA-OH 3.26Å; G189-Y242 WeakPolarHBondContact CA-OH 3.3Å; L193-Y242 HydrophobicContact CD1-CD1 4.36Å; Q238-Y242 WeakPolarHBondContact O-CB 3.49Å; Q238-Y242 PolarHBondContact O-N 2.98Å; C239-Y242 WeakPolarHBondContact O-CB 3.25Å; C239-Y242 PolarHBondContact O-N 3.07Å; Y240-Y242 PolarHBondContact O-N 3.22Å; Y242-Q289 HydrophobicContact CD2-CB 4.21Å; Y242-Q289 HydrophobicContact CE2-CB 3.82Å; Y242-I290 HydrophobicContact CD2-CG1 3.95Å; Y242-I290 HydrophobicContact CG-CG1 4.35Å; Y242-R293 PolarHBondContact O-NH1 3.06Å
243L83.3Confident85.5Confident90 Ų9059.4 Ų59.447%0.47130%0.302SS..Hα-helixtrans-81.6-37.2-173.9-65.4174.6000114.5L193 C239 Y240L193-L243 HydrophobicContact CD2-CD2 4.48Å; C239-L243 WeakPolarHBondContact O-CG 3.47Å; C239-L243 PolarHBondContact O-N 3.06Å; Y240-L243 PolarHBondContact O-N 3.39Å; Y240-L243 VanDerWaalsContact O-N 3.16Å
244C75.9Confident85.4Confident52 Ų5260.4 Ų60.435%0.35130%0.303SS..SBendtrans-112.1147.9-171.4-63.30000112.1Y240Y240-C244 HydrophobicContact CD2-CB 4.15Å; Y240-C244 HydrophobicContact CE1-CB 4.32Å; Y240-C244 HydrophobicContact CE2-CB 3.76Å; Y240-C244 WeakPolarHBondContact O-CB 3.34Å; Y240-C244 PolarHBondContact O-N 3.45Å
245Y74.9Confident85.3Confident104 Ų10464.5 Ų64.541%0.40833%0.327SS..  trans-75140.7175.3174.7-100.8000111.6Y180 L295Y180-Y245 HydrophobicContact CD2-CD2 4.14Å; Y180-Y245 HydrophobicContact CD2-CE1 4.2Å; Y180-Y245 AromaticContact CD2-CE2 3.61Å; Y180-Y245 HydrophobicContact CD2-CE2 3.61Å; Y180-Y245 AromaticContact CD2-CZ 3.64Å; Y180-Y245 HydrophobicContact CE2-CE1 4.49Å; Y180-Y245 AromaticContact CE2-CE2 3.9Å; Y180-Y245 HydrophobicContact CE2-CE2 3.9Å; Y180-Y245 AromaticContact CE2-CZ 3.7Å; Y180-Y245 WeakPolarHBondContact CE2-OH 3.25Å; Y180-Y245 HydrophobicContact CG-CE2 4.28Å; Y245-L295 HydrophobicContact CD2-CD1 4.29Å; Y245-L295 HydrophobicContact CD2-CD2 3.56Å; Y245-L295 HydrophobicContact CE2-CD1 3.77Å; Y245-L295 HydrophobicContact CE2-CD2 3.93Å
246S75.6Confident85.4Confident13 Ų1365.5 Ų65.59%0.09133%0.332CS..  trans-147.4134.6174.31600000110.1A248 R249 K252S246-A248 VanDerWaalsContact C-N 3.26Å; S246-A248 PolarHBondContact O-N 3.38Å; S246-R249 WeakPolarHBondContact O-CB 3.34Å; S246-R249 PolarHBondContact O-N 3.41Å; S246-K252 WeakPolarHBondContact OG-CD 3.49Å; S246-K252 PolarHBondContact OG-NZ 3.27Å
247S59.3Low85.5Confident111 Ų11164.1 Ų64.178%0.77632%0.32SS*.THydrogen-bonded Turntrans-61.6-25.7-175.152.70000114.7
248A79.1Confident85.7Confident37 Ų3764.5 Ų64.531%0.30632%0.322SS..THydrogen-bonded Turntrans-110.236.4176.800000113.7S246 K250 M251 K252S246-A248 VanDerWaalsContact C-N 3.26Å; S246-A248 PolarHBondContact O-N 3.38Å; A248-K250 PolarHBondContact O-N 2.69Å; A248-M251 PolarHBondContact O-N 2.94Å; A248-K252 HydrophobicContact CB-CD 4.43Å; A248-K252 HydrophobicContact CB-CG 4.3Å; A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 WeakPolarHBondContact O-CG 3.22Å; A248-K252 PolarHBondContact O-N 3.35Å
249R79.2Confident85.8Confident33 Ų3365.8 Ų65.813%0.12533%0.33CS..Hα-helixtrans-51.8-47.7-172.9-172.5174.567.6177.210.6113.6S246 T253 I290 R293S246-R249 WeakPolarHBondContact O-CB 3.34Å; S246-R249 PolarHBondContact O-N 3.41Å; R249-T253 WeakPolarHBondContact O-CB 3.37Å; R249-T253 PolarHBondContact O-N 2.97Å; R249-T253 PolarHBondContact O-OG1 2.7Å; R249-I290 HydrophobicContact CG-CG2 3.69Å; R249-I290 PolarHBondContact NE-O 3.32Å; R249-R293 PolarHBondContact NH1-O 3.45Å; R249-R293 PolarHBondContact NH2-O 3.11Å
250K83.6Confident85.9Confident144 Ų14465.1 Ų65.163%0.62633%0.326SS*.Hα-helixtrans-61.7-52.9-178.4-64.6-173.81791780111.9A248 K252 T253 F254 L291A248-K250 PolarHBondContact O-N 2.69Å; K250-K252 PolarHBondContact O-N 3.41Å; K250-T253 PolarHBondContact O-N 3.32Å; K250-F254 WeakPolarHBondContact O-CD2 2.93Å; K250-F254 PolarHBondContact O-N 2.98Å; K250-L291 HydrophobicContact CB-CD2 4.13Å; K250-L291 HydrophobicContact CG-CD2 3.84Å
251M88.2Confident86.2Confident137 Ų13760 Ų6068%0.67531%0.308SS*.Hα-helixtrans-59.8-47.3179.8-175.8-173.2177.900111.2A248 T253 F254 V255A248-M251 PolarHBondContact O-N 2.94Å; M251-T253 VanDerWaalsContact C-N 3.35Å; M251-T253 PolarHBondContact O-N 3.33Å; M251-F254 PolarHBondContact O-N 3.23Å; M251-V255 WeakPolarHBondContact O-CG2 3.41Å; M251-V255 PolarHBondContact O-N 3.2Å
252K89.6Confident86.6Confident94 Ų9465.3 Ų65.341%0.40934%0.336SS..Hα-helixtrans-61-42.5178.1-68.2178.2179.6177.80111.6L241 S246 A248 K250 F254 V255 L256L241-K252 HydrophobicContact CD1-CB 3.66Å; L241-K252 HydrophobicContact CD2-CB 4.38Å; L241-K252 HydrophobicContact CD2-CD 4.05Å; S246-K252 WeakPolarHBondContact OG-CD 3.49Å; S246-K252 PolarHBondContact OG-NZ 3.27Å; A248-K252 HydrophobicContact CB-CD 4.43Å; A248-K252 HydrophobicContact CB-CG 4.3Å; A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 WeakPolarHBondContact O-CG 3.22Å; A248-K252 PolarHBondContact O-N 3.35Å; K250-K252 PolarHBondContact O-N 3.41Å; K252-F254 PolarHBondContact O-N 3.31Å; K252-V255 PolarHBondContact O-N 3.26Å; K252-L256 WeakPolarHBondContact O-CB 3.36Å; K252-L256 WeakPolarHBondContact O-CG 3.31Å; K252-L256 PolarHBondContact O-N 2.94Å
253T90.7Very high86.9Confident1 Ų165.4 Ų65.41%0.00634%0.338CS..Hα-helixtrans-62.1-43.2176.3-61.10000112.3R249 K250 M251 L256 F257 I290 L291R249-T253 WeakPolarHBondContact O-CB 3.37Å; R249-T253 PolarHBondContact O-N 2.97Å; R249-T253 PolarHBondContact O-OG1 2.7Å; K250-T253 PolarHBondContact O-N 3.32Å; M251-T253 VanDerWaalsContact C-N 3.35Å; M251-T253 PolarHBondContact O-N 3.33Å; T253-L256 PolarHBondContact O-N 3.46Å; T253-F257 WeakPolarHBondContact O-CB 3.5Å; T253-F257 PolarHBondContact O-N 2.95Å; T253-I290 HydrophobicContact CG2-CB 4.33Å; T253-I290 HydrophobicContact CG2-CD1 4.36Å; T253-I290 HydrophobicContact CG2-CG2 4.39Å; T253-I290 WeakPolarHBondContact OG1-CG2 3.35Å; T253-L291 HydrophobicContact CG2-CD2 4.46Å; T253-L291 HydrophobicContact CG2-CG 4.2Å
254F93.4Very high87.3Confident106 Ų10661.1 Ų61.147%0.46532%0.315SS..Hα-helixtrans-62.2-47.6176.3-79.1-65.6000112K250 M251 K252 L256 F257 F258 L291K250-F254 WeakPolarHBondContact O-CD2 2.93Å; K250-F254 PolarHBondContact O-N 2.98Å; M251-F254 PolarHBondContact O-N 3.23Å; K252-F254 PolarHBondContact O-N 3.31Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 3.17Å; F254-F257 PolarHBondContact O-N 3.48Å; F254-F258 HydrophobicContact CD1-CE2 4.31Å; F254-F258 VanDerWaalsContact O-CD2 3.25Å; F254-F258 WeakPolarHBondContact O-CD2 3.19Å; F254-F258 PolarHBondContact O-N 3.5Å; F254-L291 HydrophobicContact CZ-CD1 4.4Å
255V93.9Very high88.2Confident88 Ų8863.4 Ų63.453%0.53332%0.323SS..Hα-helixtrans-57.5-46.5178.1171.40000110.9M251 K252 S259M251-V255 WeakPolarHBondContact O-CG2 3.41Å; M251-V255 PolarHBondContact O-N 3.2Å; K252-V255 PolarHBondContact O-N 3.26Å; V255-S259 VanDerWaalsContact O-CB 3.3Å; V255-S259 WeakPolarHBondContact O-CB 3.39Å; V255-S259 PolarHBondContact O-N 2.9Å
256L93.6Very high89Confident25 Ų2565.2 Ų65.213%0.13133%0.33CS..Hα-helixtrans-64.5-42.6178.5-66.3171.2000112A234 F237 Q238 L241 K252 T253 F254 S259 V260A234-L256 HydrophobicContact CB-CD2 4Å; F237-L256 HydrophobicContact CB-CD1 3.69Å; F237-L256 HydrophobicContact CB-CD2 3.84Å; F237-L256 HydrophobicContact CB-CG 4.45Å; F237-L256 HydrophobicContact CD2-CD2 4.5Å; Q238-L256 HydrophobicContact CG-CB 4.01Å; Q238-L256 HydrophobicContact CG-CD1 3.99Å; L241-L256 HydrophobicContact CD1-CD1 3.48Å; L241-L256 VanDerWaalsContact CD1-CD1 3.48Å; L241-L256 HydrophobicContact CG-CD1 4.46Å; K252-L256 WeakPolarHBondContact O-CB 3.36Å; K252-L256 WeakPolarHBondContact O-CG 3.31Å; K252-L256 PolarHBondContact O-N 2.94Å; T253-L256 PolarHBondContact O-N 3.46Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 3.17Å; L256-S259 PolarHBondContact O-N 3.27Å; L256-V260 WeakPolarHBondContact O-CG2 3.27Å; L256-V260 PolarHBondContact O-N 3.02Å
257F96.1Very high89.7Confident46 Ų4664.6 Ų64.620%0.20233%0.326CS..Hα-helixtrans-61.7-50.6177.9178.1-112.3000112.1T253 F254 S259 V260 C261 A283 S284T253-F257 WeakPolarHBondContact O-CB 3.5Å; T253-F257 PolarHBondContact O-N 2.95Å; F254-F257 PolarHBondContact O-N 3.48Å; F257-S259 VanDerWaalsContact C-N 3.3Å; F257-S259 PolarHBondContact O-N 2.85Å; F257-V260 PolarHBondContact O-N 3.21Å; F257-C261 VanDerWaalsContact CZ-SG 3.54Å; F257-C261 PolarHBondContact O-N 3.33Å; F257-C261 PolarHBondContact O-SG 2.87Å; F257-C261 VanDerWaalsContact O-SG 3.35Å; F257-A283 HydrophobicContact CD2-CB 4.04Å; F257-A283 HydrophobicContact CE2-CB 4.26Å; F257-S284 WeakPolarHBondContact CE2-OG 3.5Å; F257-S284 WeakPolarHBondContact CZ-OG 3.37Å
258F95.3Very high91.1Very high119 Ų11967.3 Ų67.352%0.52232%0.32SS..Hα-helixtrans-61.9-39.6177.4-82.2-71.3000111.8F254 V260 C261 L262F254-F258 HydrophobicContact CD1-CE2 4.31Å; F254-F258 VanDerWaalsContact O-CD2 3.25Å; F254-F258 WeakPolarHBondContact O-CD2 3.19Å; F254-F258 PolarHBondContact O-N 3.5Å; F258-V260 VanDerWaalsContact C-N 3.34Å; F258-V260 PolarHBondContact O-N 3.07Å; F258-C261 PolarHBondContact O-N 3.42Å; F258-L262 WeakPolarHBondContact O-CB 3.42Å; F258-L262 VanDerWaalsContact O-CG 3.29Å; F258-L262 WeakPolarHBondContact O-CG 3.29Å; F258-L262 PolarHBondContact O-N 3.08Å
259S94.9Very high91.4Very high26 Ų2669 Ų6918%0.18234%0.341CS..Hα-helixtrans-58.8-45.2174.4-172.30000111.7V255 L256 F257 C263V255-S259 VanDerWaalsContact O-CB 3.3Å; V255-S259 WeakPolarHBondContact O-CB 3.39Å; V255-S259 PolarHBondContact O-N 2.9Å; L256-S259 PolarHBondContact O-N 3.27Å; F257-S259 VanDerWaalsContact C-N 3.3Å; F257-S259 PolarHBondContact O-N 2.85Å; S259-C263 WeakPolarHBondContact O-CB 3.44Å; S259-C263 PolarHBondContact O-N 2.92Å; S259-C263 VanDerWaalsContact O-N 3.07Å; S259-C263 PolarHBondContact O-SG 3.34Å
260V94.7Very high91.7Very high2 Ų271.5 Ų71.51%0.01236%0.356CS..Hα-helixtrans-63.2-44.6177.1174.60000110.8A234 L256 F257 F258 N264 A283A234-V260 HydrophobicContact CB-CG2 3.55Å; L256-V260 WeakPolarHBondContact O-CG2 3.27Å; L256-V260 PolarHBondContact O-N 3.02Å; F257-V260 PolarHBondContact O-N 3.21Å; F258-V260 VanDerWaalsContact C-N 3.34Å; F258-V260 PolarHBondContact O-N 3.07Å; V260-N264 WeakPolarHBondContact CG1-ND2 3.48Å; V260-N264 WeakPolarHBondContact O-CB 3.48Å; V260-N264 PolarHBondContact O-N 3.03Å; V260-N264 PolarHBondContact O-ND2 3.48Å; V260-A283 HydrophobicContact CB-CB 4.2Å; V260-A283 HydrophobicContact CG1-CB 3.72Å
261C95Very high92Very high16 Ų1664.9 Ų64.911%0.10833%0.328CS..Hα-helixtrans-61.2-51.3178.5-68.40000112.1F257 F258 C263 N264 I265F257-C261 VanDerWaalsContact CZ-SG 3.54Å; F257-C261 PolarHBondContact O-N 3.33Å; F257-C261 PolarHBondContact O-SG 2.87Å; F257-C261 VanDerWaalsContact O-SG 3.35Å; F258-C261 PolarHBondContact O-N 3.42Å; C261-C263 PolarHBondContact O-N 2.68Å; C261-N264 PolarHBondContact O-N 2.93Å; C261-I265 WeakPolarHBondContact O-CB 3.49Å; C261-I265 WeakPolarHBondContact O-CD1 3.5Å; C261-I265 VanDerWaalsContact O-CG1 3.23Å; C261-I265 WeakPolarHBondContact O-CG1 3.43Å; C261-I265 PolarHBondContact O-N 3.02Å
262L95.4Very high92.2Very high118 Ų11862.2 Ų62.262%0.61832%0.316SS*.Hα-helixtrans-60.6-44.1-178.7-70.5172.8000111.7F258 I265 Y266F258-L262 WeakPolarHBondContact O-CB 3.42Å; F258-L262 VanDerWaalsContact O-CG 3.29Å; F258-L262 WeakPolarHBondContact O-CG 3.29Å; F258-L262 PolarHBondContact O-N 3.08Å; L262-I265 PolarHBondContact O-N 2.98Å; L262-Y266 WeakPolarHBondContact O-CB 3.3Å; L262-Y266 PolarHBondContact O-N 3.44Å
263C93.6Very high92.3Very high11 Ų1163.4 Ų63.47%0.07433%0.326CS..Hα-helixtrans-66.7-40.5177.9-65.10000112.5L230 P231 S259 C261 I265 Y266 L267L230-C263 VanDerWaalsContact CD2-SG 3.52Å; P231-C263 HydrophobicContact CG-CB 3.26Å; S259-C263 WeakPolarHBondContact O-CB 3.44Å; S259-C263 PolarHBondContact O-N 2.92Å; S259-C263 VanDerWaalsContact O-N 3.07Å; S259-C263 PolarHBondContact O-SG 3.34Å; C261-C263 PolarHBondContact O-N 2.68Å; C263-I265 VanDerWaalsContact C-N 3.33Å; C263-Y266 PolarHBondContact O-N 3.14Å; C263-L267 VanDerWaalsContact O-CG 3.29Å; C263-L267 WeakPolarHBondContact O-CG 3.48Å; C263-L267 PolarHBondContact O-N 3.44Å
264N92.4Very high92.4Very high0 Ų073.5 Ų73.50%036%0.364CS..Hα-helixtrans-69.4-32.8178.6-83.6-89.6000112.3V260 C261 R271 I276 H279 I280V260-N264 WeakPolarHBondContact CG1-ND2 3.48Å; V260-N264 WeakPolarHBondContact O-CB 3.48Å; V260-N264 PolarHBondContact O-N 3.03Å; V260-N264 PolarHBondContact O-ND2 3.48Å; C261-N264 PolarHBondContact O-N 2.93Å; N264-R271 PolarHBondContact OD1-NH1 3.36Å; N264-I276 HydrophobicContact CB-CG2 4.32Å; N264-H279 VanDerWaalsContact OD1-CB 3.28Å; N264-H279 WeakPolarHBondContact OD1-CB 3.42Å; N264-I280 HydrophobicContact CB-CG1 4.42Å
265I93.3Very high92.4Very high101 Ų10171.1 Ų71.152%0.51836%0.355SS..Hα-helixtrans-70.1-41.3172.2-67.4164.8000110.5C261 L262 C263 L267 Y268C261-I265 WeakPolarHBondContact O-CB 3.49Å; C261-I265 WeakPolarHBondContact O-CD1 3.5Å; C261-I265 VanDerWaalsContact O-CG1 3.23Å; C261-I265 WeakPolarHBondContact O-CG1 3.43Å; C261-I265 PolarHBondContact O-N 3.02Å; L262-I265 PolarHBondContact O-N 2.98Å; C263-I265 VanDerWaalsContact C-N 3.33Å; I265-L267 PolarHBondContact O-N 3.06Å; I265-Y268 WeakPolarHBondContact O-CB 3.5Å; I265-Y268 PolarHBondContact O-N 3.35Å
266Y92.7Very high92.3Very high141 Ų14167.7 Ų67.755%0.55333%0.333SS*.Hα-helixtrans-60.6-34.3176-178.3-96.3000112.2N224 A227 L262 C263 Y268N224-Y266 WeakPolarHBondContact OD1-CE1 3.33Å; A227-Y266 HydrophobicContact CB-CD1 3.54Å; A227-Y266 HydrophobicContact CB-CE1 4.03Å; L262-Y266 WeakPolarHBondContact O-CB 3.3Å; L262-Y266 PolarHBondContact O-N 3.44Å; C263-Y266 PolarHBondContact O-N 3.14Å; Y266-Y268 PolarHBondContact O-N 2.9Å
267L89.9Confident92.3Very high1 Ų169 Ų691%0.00535%0.348CS..THydrogen-bonded Turntrans-78.713.3175.1-66.8175.1000114N224 A227 F228 C263 I265 G269 L270 R271N224-L267 HydrophobicContact CB-CD2 4.46Å; A227-L267 HydrophobicContact CB-CD1 4.26Å; A227-L267 HydrophobicContact CB-CD2 3.79Å; A227-L267 HydrophobicContact CB-CG 3.87Å; A227-L267 WeakPolarHBondContact O-CD1 3.38Å; F228-L267 HydrophobicContact CD1-CD1 3.89Å; F228-L267 HydrophobicContact CD2-CD1 3.98Å; F228-L267 HydrophobicContact CD2-CD2 3.82Å; F228-L267 HydrophobicContact CE1-CD1 3.81Å; F228-L267 HydrophobicContact CE2-CD1 3.89Å; F228-L267 HydrophobicContact CE2-CD2 3.46Å; F228-L267 VanDerWaalsContact CE2-CD2 3.46Å; F228-L267 HydrophobicContact CE2-CG 4.3Å; F228-L267 HydrophobicContact CG-CD1 3.94Å; F228-L267 HydrophobicContact CZ-CD1 3.79Å; F228-L267 HydrophobicContact CZ-CD2 3.99Å; F228-L267 HydrophobicContact CZ-CG 4.43Å; C263-L267 VanDerWaalsContact O-CG 3.29Å; C263-L267 WeakPolarHBondContact O-CG 3.48Å; C263-L267 PolarHBondContact O-N 3.44Å; I265-L267 PolarHBondContact O-N 3.06Å; L267-G269 PolarHBondContact O-N 2.7Å; L267-L270 HydrophobicContact CD2-CD1 3.96Å; L267-L270 PolarHBondContact O-N 3.11Å; L267-L270 VanDerWaalsContact O-N 3.11Å; L267-R271 HydrophobicContact CB-CG 4.24Å; L267-R271 VanDerWaalsContact CD1-NE 3.35Å; L267-R271 PolarHBondContact O-N 2.88Å
268Y89Confident92.3Very high168 Ų16871 Ų7166%0.65936%0.356SS*.BIsolated β-bridgetrans-61124.8172.1-172.4-94.6000110.1I265 Y266 L273 I276I265-Y268 WeakPolarHBondContact O-CB 3.5Å; I265-Y268 PolarHBondContact O-N 3.35Å; Y266-Y268 PolarHBondContact O-N 2.9Å; Y268-L273 HydrophobicContact CE2-CD1 4.03Å; Y268-I276 HydrophobicContact CD2-CD1 3.74Å; Y268-I276 HydrophobicContact CG-CD1 4.45Å
269G85.1Confident92.2Very high71 Ų7165.9 Ų65.973%0.73233%0.334SS*.THydrogen-bonded Turntrans108.8-46.5-170.100000112.4L267L267-G269 PolarHBondContact O-N 2.7Å
270L85.4Confident92.3Very high87 Ų8766.6 Ų66.646%0.45534%0.335SS..THydrogen-bonded Turntrans-81.3-22.8171.6-68.5172.1000112.5L210 N224 F228 L267L210-L270 HydrophobicContact CD2-CD1 4.37Å; N224-L270 HydrophobicContact CB-CD1 3.93Å; F228-L270 HydrophobicContact CE2-CD1 4.15Å; F228-L270 HydrophobicContact CZ-CB 4.47Å; L267-L270 HydrophobicContact CD2-CD1 3.96Å; L267-L270 PolarHBondContact O-N 3.11Å; L267-L270 VanDerWaalsContact O-N 3.11Å
271R89.4Confident92.3Very high5 Ų568.3 Ų68.32%0.01935%0.354CS..BIsolated β-bridgetrans-117.7143.8171.8-62-178-171.4-145.8-5.6109.9N203 N264 L267 Q275 I276 H279N203-R271 VanDerWaalsContact OD1-CZ 3.29Å; N203-R271 PolarHBondContact OD1-NH1 2.99Å; N203-R271 PolarHBondContact OD1-NH2 3.4Å; N264-R271 PolarHBondContact OD1-NH1 3.36Å; L267-R271 HydrophobicContact CB-CG 4.24Å; L267-R271 VanDerWaalsContact CD1-NE 3.35Å; L267-R271 PolarHBondContact O-N 2.88Å; R271-Q275 HydrophobicContact CB-CB 4.32Å; R271-I276 HydrophobicContact CB-CD1 4.08Å; R271-I276 HydrophobicContact CB-CG1 3.68Å; R271-H279 PolarHBondContact NH1-CD2 2.87Å; R271-H279 PolarHBondContact NH1-NE2 2.87Å
272N92.1Very high92.4Very high81 Ų8167.9 Ų67.943%0.43335%0.35SS..  trans-77.5162.4170.869.136.5000111.1W274 Q275 I276N272-W274 PolarHBondContact O-N 3.49Å; N272-W274 PolarHBondContact OD1-N 2.98Å; N272-Q275 PolarHBondContact O-N 3.48Å; N272-Q275 VanDerWaalsContact O-N 3.13Å; N272-Q275 WeakPolarHBondContact OD1-CB 3.4Å; N272-Q275 WeakPolarHBondContact OD1-CG 3.35Å; N272-Q275 PolarHBondContact OD1-N 2.88Å; N272-I276 WeakPolarHBondContact O-CG1 3.29Å; N272-I276 PolarHBondContact O-N 3.11Å
273L92.2Very high92.3Very high119 Ų11962.3 Ų62.362%0.62332%0.322SS*.Hα-helixtrans-56.2-39.3-176.9-161.385.4000112.3Y268 I276 A277Y268-L273 HydrophobicContact CE2-CD1 4.03Å; L273-I276 PolarHBondContact O-N 3.01Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 3.45Å
274W93Very high92.4Very high212 Ų21264 Ų6480%0.80333%0.334SS*.Hα-helixtrans-67.2-38.8179.5-69.7110.1000113N272 F278N272-W274 PolarHBondContact O-N 3.49Å; N272-W274 PolarHBondContact OD1-N 2.98Å; W274-F278 VanDerWaalsContact O-CB 3.24Å; W274-F278 WeakPolarHBondContact O-CB 3.43Å; W274-F278 PolarHBondContact O-N 2.95Å
275Q92.6Very high92.5Very high57 Ų5766.5 Ų66.527%0.26635%0.347SS..Hα-helixtrans-66-44.2175-76.2169.7-0.700110.7R271 N272 F278 H279R271-Q275 HydrophobicContact CB-CB 4.32Å; N272-Q275 PolarHBondContact O-N 3.48Å; N272-Q275 VanDerWaalsContact O-N 3.13Å; N272-Q275 WeakPolarHBondContact OD1-CB 3.4Å; N272-Q275 WeakPolarHBondContact OD1-CG 3.35Å; N272-Q275 PolarHBondContact OD1-N 2.88Å; Q275-F278 PolarHBondContact O-N 2.91Å; Q275-H279 PolarHBondContact O-CD2 3.27Å; Q275-H279 PolarHBondContact O-N 2.87Å
276I92.4Very high92.5Very high15 Ų1561.9 Ų61.98%0.07732%0.324CS..Hα-helixtrans-61-49.5176.5-66.2171.1000110N264 Y268 R271 N272 L273 F278 H279 I280N264-I276 HydrophobicContact CB-CG2 4.32Å; Y268-I276 HydrophobicContact CD2-CD1 3.74Å; Y268-I276 HydrophobicContact CG-CD1 4.45Å; R271-I276 HydrophobicContact CB-CD1 4.08Å; R271-I276 HydrophobicContact CB-CG1 3.68Å; N272-I276 WeakPolarHBondContact O-CG1 3.29Å; N272-I276 PolarHBondContact O-N 3.11Å; L273-I276 PolarHBondContact O-N 3.01Å; I276-F278 VanDerWaalsContact C-N 3.3Å; I276-F278 PolarHBondContact O-N 2.98Å; I276-H279 PolarHBondContact O-N 3.42Å; I276-I280 HydrophobicContact CG2-CD1 3.71Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CB 3.49Å; I276-I280 WeakPolarHBondContact O-CG1 3.29Å; I276-I280 PolarHBondContact O-N 3.03Å
277A93.5Very high92.5Very high54 Ų5455.7 Ų55.745%0.44630%0.301SS..Hα-helixtrans-59.3-40.5177.200000112.1L273 G281L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 3.45Å; A277-G281 PolarHBondContact O-N 2.79Å
278F95.8Very high92.6Very high86 Ų8662.5 Ų62.538%0.37733%0.328SS..Hα-helixtrans-62.9-49.9176.3175.8-98.3000112.2L195 M198 C199 W274 Q275 I276 I280 G281 V282L195-F278 HydrophobicContact CD2-CZ 4.43Å; M198-F278 HydrophobicContact CE-CE1 3.42Å; M198-F278 VanDerWaalsContact CE-CE1 3.42Å; M198-F278 HydrophobicContact CE-CZ 3.59Å; C199-F278 VanDerWaalsContact SG-CE1 3.53Å; W274-F278 VanDerWaalsContact O-CB 3.24Å; W274-F278 WeakPolarHBondContact O-CB 3.43Å; W274-F278 PolarHBondContact O-N 2.95Å; Q275-F278 PolarHBondContact O-N 2.91Å; I276-F278 VanDerWaalsContact C-N 3.3Å; I276-F278 PolarHBondContact O-N 2.98Å; F278-I280 PolarHBondContact O-N 3.32Å; F278-G281 PolarHBondContact O-N 3.39Å; F278-V282 HydrophobicContact CD2-CG2 4.46Å; F278-V282 HydrophobicContact CE1-CG2 4.11Å; F278-V282 HydrophobicContact CE2-CG2 4.05Å; F278-V282 HydrophobicContact CZ-CG2 3.86Å; F278-V282 WeakPolarHBondContact O-CG2 3.18Å; F278-V282 PolarHBondContact O-N 3.06Å
279H94.5Very high92.7Very high12 Ų1255.1 Ų55.16%0.05630%0.299CS..Hα-helixtrans-63.6-40.2179.1-81.9-79.1000112.5C199 N203 N264 R271 Q275 I276 A283C199-H279 PolarHBondContact SG-ND1 3.09Å; C199-H279 VanDerWaalsContact SG-ND1 3.36Å; N203-H279 PolarHBondContact OD1-CE1 3.43Å; N264-H279 VanDerWaalsContact OD1-CB 3.28Å; N264-H279 WeakPolarHBondContact OD1-CB 3.42Å; R271-H279 PolarHBondContact NH1-CD2 2.87Å; R271-H279 PolarHBondContact NH1-NE2 2.87Å; Q275-H279 PolarHBondContact O-CD2 3.27Å; Q275-H279 PolarHBondContact O-N 2.87Å; I276-H279 PolarHBondContact O-N 3.42Å; H279-A283 WeakPolarHBondContact O-CB 3.36Å; H279-A283 PolarHBondContact O-N 3.26Å
280I95.7Very high92.8Very high41 Ų4151.8 Ų51.821%0.2127%0.265CS..Hα-helixtrans-66.4-40.5174.6-67.3173.8000110.7N264 I276 F278 A283 S284N264-I280 HydrophobicContact CB-CG1 4.42Å; I276-I280 HydrophobicContact CG2-CD1 3.71Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CB 3.49Å; I276-I280 WeakPolarHBondContact O-CG1 3.29Å; I276-I280 PolarHBondContact O-N 3.03Å; F278-I280 PolarHBondContact O-N 3.32Å; I280-A283 PolarHBondContact O-N 3.33Å; I280-S284 WeakPolarHBondContact O-CB 3.23Å; I280-S284 PolarHBondContact O-N 2.99Å; I280-S284 PolarHBondContact O-OG 2.7Å
281G95.6Very high92.8Very high38 Ų3850.4 Ų50.439%0.39226%0.257SS..Hα-helixtrans-62-45.8177.100000112.7A277 F278 S284 L285A277-G281 PolarHBondContact O-N 2.79Å; F278-G281 PolarHBondContact O-N 3.39Å; G281-S284 WeakPolarHBondContact O-CB 3.47Å; G281-S284 PolarHBondContact O-N 3.42Å; G281-L285 WeakPolarHBondContact O-CB 3.33Å; G281-L285 PolarHBondContact O-N 2.84Å
282V95.9Very high92.5Very high7 Ų753 Ų534%0.04227%0.274CS..Hα-helixtrans-63.8-43.6175.7173.30000111.2L195 N196 C199 F278 S284 L285 A286L195-V282 HydrophobicContact CB-CG1 3.86Å; L195-V282 HydrophobicContact CB-CG2 4.09Å; N196-V282 HydrophobicContact CB-CG1 4.22Å; C199-V282 HydrophobicContact CB-CG1 4.48Å; F278-V282 HydrophobicContact CD2-CG2 4.46Å; F278-V282 HydrophobicContact CE1-CG2 4.11Å; F278-V282 HydrophobicContact CE2-CG2 4.05Å; F278-V282 HydrophobicContact CZ-CG2 3.86Å; F278-V282 WeakPolarHBondContact O-CG2 3.18Å; F278-V282 PolarHBondContact O-N 3.06Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 2.92Å; V282-L285 PolarHBondContact O-N 3.29Å; V282-A286 WeakPolarHBondContact O-CB 3.34Å; V282-A286 PolarHBondContact O-N 3.38Å
283A95.1Very high91.7Very high2 Ų250.4 Ų50.42%0.01726%0.258CS..Hα-helixtrans-64.7-35176.700000112.6F257 V260 H279 I280 S287F257-A283 HydrophobicContact CD2-CB 4.04Å; F257-A283 HydrophobicContact CE2-CB 4.26Å; V260-A283 HydrophobicContact CB-CB 4.2Å; V260-A283 HydrophobicContact CG1-CB 3.72Å; H279-A283 WeakPolarHBondContact O-CB 3.36Å; H279-A283 PolarHBondContact O-N 3.26Å; I280-A283 PolarHBondContact O-N 3.33Å; A283-S287 VanDerWaalsContact O-CB 3.25Å; A283-S287 WeakPolarHBondContact O-CB 3.47Å; A283-S287 PolarHBondContact O-N 3.18Å; A283-S287 PolarHBondContact O-OG 3.36Å
284S95.5Very high90.2Very high46 Ų4651.5 Ų51.532%0.32226%0.26SS..Hα-helixtrans-66.7-47.1175-580000110.9F257 I280 G281 V282 S287 Y288F257-S284 WeakPolarHBondContact CE2-OG 3.5Å; F257-S284 WeakPolarHBondContact CZ-OG 3.37Å; I280-S284 WeakPolarHBondContact O-CB 3.23Å; I280-S284 PolarHBondContact O-N 2.99Å; I280-S284 PolarHBondContact O-OG 2.7Å; G281-S284 WeakPolarHBondContact O-CB 3.47Å; G281-S284 PolarHBondContact O-N 3.42Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 2.92Å; S284-S287 PolarHBondContact O-N 2.68Å; S284-Y288 WeakPolarHBondContact O-CB 3.28Å; S284-Y288 PolarHBondContact O-N 3.3Å
285L94.2Very high88.4Confident52 Ų5243.6 Ų43.627%0.27223%0.233SC..Hα-helixtrans-61.6-46.7176.6-179.463.3000111.2G281 V282 S287 Y288 Q289G281-L285 WeakPolarHBondContact O-CB 3.33Å; G281-L285 PolarHBondContact O-N 2.84Å; V282-L285 PolarHBondContact O-N 3.29Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.28Å; L285-Y288 WeakPolarHBondContact O-CB 3.4Å; L285-Y288 PolarHBondContact O-N 2.94Å; L285-Q289 HydrophobicContact CD1-CG 4.47Å; L285-Q289 VanDerWaalsContact O-CG 3.31Å; L285-Q289 WeakPolarHBondContact O-CG 3.48Å; L285-Q289 PolarHBondContact O-N 2.82Å
286A92.5Very high86Confident5 Ų545.7 Ų45.74%0.04124%0.244CC..Hα-helixtrans-60.1-44.9176.500000111.6S192 V282 Y288 Q289 I290S192-A286 VanDerWaalsContact OG-CA 3.27Å; S192-A286 WeakPolarHBondContact OG-CA 3.48Å; S192-A286 PolarHBondContact OG-N 3.43Å; V282-A286 WeakPolarHBondContact O-CB 3.34Å; V282-A286 PolarHBondContact O-N 3.38Å; A286-Y288 PolarHBondContact O-N 2.66Å; A286-Q289 PolarHBondContact O-N 3.18Å; A286-I290 WeakPolarHBondContact O-CD1 3.48Å; A286-I290 WeakPolarHBondContact O-CG1 3.08Å; A286-I290 PolarHBondContact O-N 3.49Å
287S93.1Very high83.4Confident10 Ų1052.8 Ų52.87%0.0728%0.277CS..Hα-helixtrans-63.1-42.5177.2-60.20000111.8Q238 A283 S284 L285 I290 L291Q238-S287 PolarHBondContact NE2-OG 2.95Å; A283-S287 VanDerWaalsContact O-CB 3.25Å; A283-S287 WeakPolarHBondContact O-CB 3.47Å; A283-S287 PolarHBondContact O-N 3.18Å; A283-S287 PolarHBondContact O-OG 3.36Å; S284-S287 PolarHBondContact O-N 2.68Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.28Å; S287-I290 PolarHBondContact O-N 3.46Å; S287-L291 WeakPolarHBondContact O-CB 3.33Å; S287-L291 WeakPolarHBondContact O-CG 3.2Å; S287-L291 PolarHBondContact O-N 2.77Å
288Y92.4Very high80.6Confident144 Ų14456 Ų5657%0.56528%0.281SS*.Hα-helixtrans-60.3-46.6174.6179-98.2000111.6S284 L285 A286 I290 L291 T292S284-Y288 WeakPolarHBondContact O-CB 3.28Å; S284-Y288 PolarHBondContact O-N 3.3Å; L285-Y288 WeakPolarHBondContact O-CB 3.4Å; L285-Y288 PolarHBondContact O-N 2.94Å; A286-Y288 PolarHBondContact O-N 2.66Å; Y288-I290 PolarHBondContact O-N 2.91Å; Y288-L291 PolarHBondContact O-N 3.2Å; Y288-T292 HydrophobicContact CD1-CG2 4.24Å; Y288-T292 HydrophobicContact CD2-CG2 3.96Å; Y288-T292 HydrophobicContact CE1-CG2 3.9Å; Y288-T292 HydrophobicContact CE2-CG2 3.59Å; Y288-T292 HydrophobicContact CG-CG2 4.27Å; Y288-T292 WeakPolarHBondContact O-CB 3.33Å; Y288-T292 WeakPolarHBondContact O-CG2 3.36Å; Y288-T292 PolarHBondContact O-N 3.01Å; Y288-T292 PolarHBondContact O-OG1 3.21Å
289Q90.2Very high77.5Confident13 Ų1359 Ų596%0.06130%0.296CS..Hα-helixtrans-62.4-40177-67.8-62.3-30.500112.3Y242 L285 A286 R293Y242-Q289 HydrophobicContact CD2-CB 4.21Å; Y242-Q289 HydrophobicContact CE2-CB 3.82Å; L285-Q289 HydrophobicContact CD1-CG 4.47Å; L285-Q289 VanDerWaalsContact O-CG 3.31Å; L285-Q289 WeakPolarHBondContact O-CG 3.48Å; L285-Q289 PolarHBondContact O-N 2.82Å; A286-Q289 PolarHBondContact O-N 3.18Å; Q289-R293 VanDerWaalsContact O-CB 3.25Å; Q289-R293 WeakPolarHBondContact O-CB 3.24Å; Q289-R293 PolarHBondContact O-N 2.97Å
290I87.3Confident74.7Confident2 Ų263.4 Ų63.41%0.0133%0.326CS..Hα-helixtrans-65.4-39.6176.9-64.3159.1000111.4Q238 L241 Y242 R249 T253 A286 S287 Y288Q238-I290 HydrophobicContact CB-CD1 3.99Å; Q238-I290 HydrophobicContact CG-CD1 4.21Å; Q238-I290 WeakPolarHBondContact O-CD1 3.25Å; L241-I290 HydrophobicContact CB-CD1 4.39Å; L241-I290 HydrophobicContact CB-CG2 4.21Å; Y242-I290 HydrophobicContact CD2-CG1 3.95Å; Y242-I290 HydrophobicContact CG-CG1 4.35Å; R249-I290 HydrophobicContact CG-CG2 3.69Å; R249-I290 PolarHBondContact NE-O 3.32Å; T253-I290 HydrophobicContact CG2-CB 4.33Å; T253-I290 HydrophobicContact CG2-CD1 4.36Å; T253-I290 HydrophobicContact CG2-CG2 4.39Å; T253-I290 WeakPolarHBondContact OG1-CG2 3.35Å; A286-I290 WeakPolarHBondContact O-CD1 3.48Å; A286-I290 WeakPolarHBondContact O-CG1 3.08Å; A286-I290 PolarHBondContact O-N 3.49Å; S287-I290 PolarHBondContact O-N 3.46Å; Y288-I290 PolarHBondContact O-N 2.91Å
291L86.5Confident71.8Confident58 Ų5867.9 Ų67.930%0.30435%0.35SS..Hα-helixtrans-75.8-37.7-178.5-68.9173000112.7K250 T253 F254 S287 Y288K250-L291 HydrophobicContact CB-CD2 4.13Å; K250-L291 HydrophobicContact CG-CD2 3.84Å; T253-L291 HydrophobicContact CG2-CD2 4.46Å; T253-L291 HydrophobicContact CG2-CG 4.2Å; F254-L291 HydrophobicContact CZ-CD1 4.4Å; S287-L291 WeakPolarHBondContact O-CB 3.33Å; S287-L291 WeakPolarHBondContact O-CG 3.2Å; S287-L291 PolarHBondContact O-N 2.77Å; Y288-L291 PolarHBondContact O-N 3.2Å
292T81.8Confident69.1Low60 Ų6072 Ų7237%0.36837%0.372SS..Hα-helixtrans-83.5-18.9-17853.40000113.6Y288 Q294Y288-T292 HydrophobicContact CD1-CG2 4.24Å; Y288-T292 HydrophobicContact CD2-CG2 3.96Å; Y288-T292 HydrophobicContact CE1-CG2 3.9Å; Y288-T292 HydrophobicContact CE2-CG2 3.59Å; Y288-T292 HydrophobicContact CG-CG2 4.27Å; Y288-T292 WeakPolarHBondContact O-CB 3.33Å; Y288-T292 WeakPolarHBondContact O-CG2 3.36Å; Y288-T292 PolarHBondContact O-N 3.01Å; Y288-T292 PolarHBondContact O-OG1 3.21Å; T292-Q294 PolarHBondContact O-N 3.23Å
293R76.8Confident66.6Low26 Ų2675.1 Ų75.110%0.09841%0.405CS..  trans-64.8100174.6-169.3166.9-176.6-152.91109.9M182 Q183 Y242 R249 Q289M182-R293 VanDerWaalsContact CB-NH2 3.34Å; M182-R293 HydrophobicContact CE-CG 4.1Å; Q183-R293 VanDerWaalsContact O-CZ 3.26Å; Q183-R293 PolarHBondContact O-NE 3.32Å; Q183-R293 PolarHBondContact O-NH2 3.41Å; Y242-R293 PolarHBondContact O-NH1 3.06Å; R249-R293 PolarHBondContact NH1-O 3.45Å; R249-R293 PolarHBondContact NH2-O 3.11Å; Q289-R293 VanDerWaalsContact O-CB 3.25Å; Q289-R293 WeakPolarHBondContact O-CB 3.24Å; Q289-R293 PolarHBondContact O-N 2.97Å
294Q60.9Low63.6Low141 Ų14185.4 Ų85.466%0.65947%0.467SS*.  trans-66.4143.3178.1-65.8-162.9-5.200110.3T292 M296T292-Q294 PolarHBondContact O-N 3.23Å; Q294-M296 PolarHBondContact O-N 3.13Å
295L54.4Low62Low46 Ų4687.4 Ų87.424%0.24148%0.475CS..EExtended strand (participates in β ladder)trans-76.7112164.9-59.9164.2000104.6Y180 M182 Y245 E297Y180-L295 HydrophobicContact CD1-CB 3.46Å; Y180-L295 VanDerWaalsContact CD1-CB 3.46Å; Y180-L295 HydrophobicContact CD1-CD1 3.74Å; Y180-L295 HydrophobicContact CD1-CD2 4.26Å; Y180-L295 HydrophobicContact CD1-CG 4Å; Y180-L295 HydrophobicContact CD2-CD1 4.33Å; Y180-L295 HydrophobicContact CE1-CB 4Å; Y180-L295 HydrophobicContact CE1-CD1 3.73Å; Y180-L295 HydrophobicContact CE1-CG 4.42Å; Y180-L295 HydrophobicContact CE2-CD1 4.35Å; Y180-L295 HydrophobicContact CG-CB 4.1Å; Y180-L295 HydrophobicContact CG-CD1 4.01Å; Y180-L295 HydrophobicContact CG-CD2 4.02Å; Y180-L295 HydrophobicContact CG-CG 4.25Å; M182-L295 HydrophobicContact SD-CD2 3.51Å; M182-L295 VanDerWaalsContact SD-CD2 3.51Å; Y245-L295 HydrophobicContact CD2-CD1 4.29Å; Y245-L295 HydrophobicContact CD2-CD2 3.56Å; Y245-L295 HydrophobicContact CE2-CD1 3.77Å; Y245-L295 HydrophobicContact CE2-CD2 3.93Å; L295-E297 PolarHBondContact O-N 3.37Å
296M41.6Very low60.4Low102 Ų10289.3 Ų89.350%0.50249%0.485SS..EExtended strand (participates in β ladder)trans-64.8108.9170.4-97-165.177.500106.8Q294 K298Q294-M296 PolarHBondContact O-N 3.13Å; M296-K298 PolarHBondContact O-N 3.3Å
297E38.4Very low58.6Low163 Ų16393.9 Ų93.976%0.76251%0.51SS*.  trans-59.6130.8154-167165.9-165.900106.2L295 Q299L295-E297 PolarHBondContact O-N 3.37Å; E297-Q299 VanDerWaalsContact C-N 3.29Å; E297-Q299 PolarHBondContact O-N 2.87Å
298K34.2Very low56.5Low123 Ų12398.9 Ų98.954%0.53554%0.536SS..  trans-64.6100.1172.9179.1176.6-173.7-61.20106.1M296 D301M296-K298 PolarHBondContact O-N 3.3Å; K298-D301 IonicContact NZ-OD2 3.31Å
299Q31.9Very low54.3Low148 Ų14896.1 Ų96.169%0.69253%0.534SS*.  trans-53135.1170.4-153.11731.500107.2E297 D301E297-Q299 VanDerWaalsContact C-N 3.29Å; E297-Q299 PolarHBondContact O-N 2.87Å; Q299-D301 PolarHBondContact O-N 2.9Å; Q299-D301 VanDerWaalsContact O-N 3.07Å
300P34.8Very low51.9Low105 Ų105101.6 Ų101.668%0.68257%0.566SS**  trans-59.6118.6170.224.7-30.1000106.1C302P300-C302 VanDerWaalsContact C-N 3.31Å; P300-C302 PolarHBondContact O-N 3.28Å
301D35.6Very low49.4Very low135 Ų135108.7 Ų108.772%0.72261%0.605SS**  trans-60.199.1172.6-70.4-58.2000106.6K298 Q299 G303K298-D301 IonicContact NZ-OD2 3.31Å; Q299-D301 PolarHBondContact O-N 2.9Å; Q299-D301 VanDerWaalsContact O-N 3.07Å; D301-G303 PolarHBondContact O-N 2.76Å
302C39Very low46.5Very low124 Ų124112.6 Ų112.684%0.83863%0.629SS**  trans-68.6108.7158.2-77.70000105.5P300P300-C302 VanDerWaalsContact C-N 3.31Å; P300-C302 PolarHBondContact O-N 3.28Å
303G41.7Very low43.6Very low73 Ų73117 Ų11775%0.75365%0.65SS**  trans-56.4143-176.300000113.4D301D301-G303 PolarHBondContact O-N 2.76Å
304V33.9Very low40.6Very low218 Ų218125.3 Ų125.3100%1.32170%0.701SS**  trans-136.40148-173.60000106.7

Retrieved 304 of 304 residues in 172.1 ms (Link to these results)

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