A0A093H590_STRCA Loading...

General transcription factor IIE subunit 1

Recruits TFIIH to the initiation complex and stimulates the RNA polymerase II C-terminal domain kinase and DNA-dependent ATPase activities of TFIIH. Both TFIIH and TFIIE are required for promoter clearance by RNA polymerase.

AlphaFold DB , UniProt , Accession A0A093H590, Species STRCA (Struthio camelus australis), Gene n/a, Length 441 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
1M34.3Very low47.9Very low237 Ų237109 Ų109100%1.16760%0.6SS**  098.40-78168.8168.800105D3M1-D3 PolarHBondContact O-N 3.35Å
2T36.2Very low50.1Low140 Ų140105.6 Ų105.686%0.85960%0.596SS**  trans-78.9109.6178.1300000107.1
3D36Very low52.1Low150 Ų15098.5 Ų98.580%0.80256%0.559SS**  trans-55.3132.5170-67.7-54.1000108.8M1 D5M1-D3 PolarHBondContact O-N 3.35Å; D3-D5 PolarHBondContact O-N 2.87Å
4P44.2Very low54Low81 Ų8191.9 Ų91.953%0.52652%0.521SS..  trans-67.2121.6-178.627.4-32.1000108.3V6 N198P4-V6 WeakPolarHBondContact O-CG2 3.49Å; P4-V6 PolarHBondContact O-N 3.06Å; P4-N198 HydrophobicContact CB-CB 4.07Å
5D43Very low55.9Low136 Ų13690.6 Ų90.673%0.72751%0.508SS*.  trans-55.4107.2-179.3-156.38.2000109.6D3 L7D3-D5 PolarHBondContact O-N 2.87Å; D5-L7 PolarHBondContact O-N 3.21Å
6V48.7Very low57.8Low74 Ų7491.8 Ų91.845%0.44850%0.502SS..  trans-84.2103.5-175.6176.10000107.8P4 T8 A200P4-V6 WeakPolarHBondContact O-CG2 3.49Å; P4-V6 PolarHBondContact O-N 3.06Å; V6-T8 PolarHBondContact O-N 3.1Å; V6-A200 VanDerWaalsContact CG1-CA 3.42Å; V6-A200 HydrophobicContact CG1-CB 3.2Å
7L46.5Very low59.4Low63 Ų6386.4 Ų86.433%0.3347%0.472SS..BIsolated β-bridgetrans-72.9127.4-179.6-64.5175000111.1D5 P11 V197 I203D5-L7 PolarHBondContact O-N 3.21Å; L7-P11 HydrophobicContact CD1-CB 4.38Å; L7-P11 HydrophobicContact CD1-CG 3.68Å; L7-V197 HydrophobicContact CD1-CG1 3.59Å; L7-I203 VanDerWaalsContact O-CD1 3.22Å; L7-I203 WeakPolarHBondContact O-CD1 3.42Å
8T49.7Very low60.8Low117 Ų11781.7 Ų81.772%0.71845%0.446SS*.SBendtrans-87.1-9179.548.30000113.8V6V6-T8 PolarHBondContact O-N 3.1Å
9E56.1Low62.3Low151 Ų15181.3 Ų81.371%0.70644%0.44SS*.SBendtrans-118.2151.2172.5-66.5-172.6-177.400111.5P11E9-P11 WeakPolarHBondContact O-CD 3.29Å; E9-P11 VanDerWaalsContact O-N 3.09Å
10V62.4Low63.5Low31 Ų3183.9 Ų83.919%0.18844%0.444CS..  trans-63.2112.2171.4-178.90000108.8K15 Y96 I203V10-K15 HydrophobicContact CB-CG 4.5Å; V10-K15 HydrophobicContact CG1-CD 4.32Å; V10-K15 HydrophobicContact CG1-CG 3.66Å; V10-K15 VanDerWaalsContact O-CE 3.25Å; V10-K15 WeakPolarHBondContact O-CE 3.36Å; V10-Y96 HydrophobicContact CB-CE2 4.31Å; V10-Y96 HydrophobicContact CG1-CD1 4.29Å; V10-Y96 HydrophobicContact CG1-CD2 4.17Å; V10-Y96 HydrophobicContact CG1-CE1 3.78Å; V10-Y96 HydrophobicContact CG1-CE2 3.66Å; V10-Y96 HydrophobicContact CG1-CG 4.47Å; V10-Y96 VanDerWaalsContact CG1-CZ 3.44Å; V10-Y96 HydrophobicContact CG2-CD2 4.16Å; V10-Y96 HydrophobicContact CG2-CE2 3.57Å; V10-I203 HydrophobicContact CG2-CG2 3.87Å
11P70Confident64.7Low19 Ų1980.2 Ų80.212%0.12343%0.425CS..  trans-57.4140.1-177.2-23.333.4000111.8L7 E9 A13 L14 K15 V197 L199L7-P11 HydrophobicContact CD1-CB 4.38Å; L7-P11 HydrophobicContact CD1-CG 3.68Å; E9-P11 WeakPolarHBondContact O-CD 3.29Å; E9-P11 VanDerWaalsContact O-N 3.09Å; P11-A13 PolarHBondContact O-N 3.09Å; P11-A13 VanDerWaalsContact O-N 3.16Å; P11-L14 HydrophobicContact CB-CB 4.46Å; P11-L14 HydrophobicContact CB-CG 4.47Å; P11-L14 HydrophobicContact CG-CD1 3.96Å; P11-L14 HydrophobicContact CG-CG 4.43Å; P11-L14 PolarHBondContact O-N 3.44Å; P11-K15 PolarHBondContact O-N 2.85Å; P11-K15 VanDerWaalsContact O-N 3.08Å; P11-V197 HydrophobicContact CB-CG1 4.48Å; P11-V197 HydrophobicContact CG-CG1 3.67Å; P11-L199 HydrophobicContact CG-CD1 3.79Å
12A74.4Confident67.2Low68 Ų6869 Ų6956%0.56237%0.37SS*.Hα-helixtrans-56.7-33177.500000112.3K15 R16A12-K15 PolarHBondContact O-N 3Å; A12-R16 WeakPolarHBondContact O-CB 3.38Å; A12-R16 PolarHBondContact O-N 3.17Å
13A75.6Confident69.8Low13 Ų1368.9 Ų68.911%0.10735%0.354CS..Hα-helixtrans-63.7-41.717500000112.4P11 R16 L17 L190 T194P11-A13 PolarHBondContact O-N 3.09Å; P11-A13 VanDerWaalsContact O-N 3.16Å; A13-R16 PolarHBondContact O-N 2.76Å; A13-L17 WeakPolarHBondContact O-CB 3.01Å; A13-L17 PolarHBondContact O-N 3.42Å; A13-L190 HydrophobicContact CB-CD1 4.34Å; A13-T194 HydrophobicContact CB-CG2 3.58Å
14L78.4Confident72.2Confident6 Ų664.7 Ų64.73%0.03135%0.346CS..Hα-helixtrans-69.1-39176.3-77.3177.1000112.3P11 R16 L17 A18 Y96 V100 T194 L199P11-L14 HydrophobicContact CB-CB 4.46Å; P11-L14 HydrophobicContact CB-CG 4.47Å; P11-L14 HydrophobicContact CG-CD1 3.96Å; P11-L14 HydrophobicContact CG-CG 4.43Å; P11-L14 PolarHBondContact O-N 3.44Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.98Å; L14-L17 HydrophobicContact CD2-CD2 4.41Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 3.44Å; L14-Y96 HydrophobicContact CB-CD1 4.24Å; L14-V100 HydrophobicContact CD2-CG2 3.53Å; L14-T194 HydrophobicContact CD2-CG2 3.9Å; L14-T194 HydrophobicContact CG-CG2 4.09Å; L14-L199 HydrophobicContact CD1-CD1 3.38Å; L14-L199 HydrophobicContact CD1-CD2 3.97Å; L14-L199 HydrophobicContact CD1-CG 4.33Å
15K83.3Confident74.2Confident73 Ų7365.4 Ų65.432%0.31734%0.341SS..Hα-helixtrans-61.2-42.1172.1-63.5-178.3-177.9167.80111.1V10 P11 A12 K19 I38V10-K15 HydrophobicContact CB-CG 4.5Å; V10-K15 HydrophobicContact CG1-CD 4.32Å; V10-K15 HydrophobicContact CG1-CG 3.66Å; V10-K15 VanDerWaalsContact O-CE 3.25Å; V10-K15 WeakPolarHBondContact O-CE 3.36Å; P11-K15 PolarHBondContact O-N 2.85Å; P11-K15 VanDerWaalsContact O-N 3.08Å; A12-K15 PolarHBondContact O-N 3Å; K15-K19 VanDerWaalsContact O-CG 3.31Å; K15-K19 WeakPolarHBondContact O-CG 3.37Å; K15-K19 PolarHBondContact O-N 2.86Å; K15-K19 VanDerWaalsContact O-N 3.15Å; K15-I38 HydrophobicContact CB-CG2 4.14Å; K15-I38 HydrophobicContact CD-CG2 3.99Å; K15-I38 HydrophobicContact CG-CG2 3.93Å
16R85.4Confident76.4Confident110 Ų11061 Ų6142%0.41531%0.314SS..Hα-helixtrans-65.4-41.9177.6-166.7-175.4-59.1137.60.7111.3A12 A13 L14 K19 Y20 L190A12-R16 WeakPolarHBondContact O-CB 3.38Å; A12-R16 PolarHBondContact O-N 3.17Å; A13-R16 PolarHBondContact O-N 2.76Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.98Å; R16-K19 PolarHBondContact O-N 3.23Å; R16-Y20 HydrophobicContact CG-CD2 3.97Å; R16-Y20 HydrophobicContact CG-CE2 3.46Å; R16-Y20 VanDerWaalsContact CG-CE2 3.46Å; R16-Y20 PolarHBondContact O-N 2.98Å; R16-L190 HydrophobicContact CB-CD2 4.21Å; R16-L190 HydrophobicContact CG-CD2 4.12Å
17L85Confident78.4Confident0 Ų059.5 Ų59.50%031%0.313CS..Hα-helixtrans-62.7-50.7178.5177.759.4000111.5A13 L14 K19 Y20 V21 V100 I187 L190 L191A13-L17 WeakPolarHBondContact O-CB 3.01Å; A13-L17 PolarHBondContact O-N 3.42Å; L14-L17 HydrophobicContact CD2-CD2 4.41Å; L14-L17 PolarHBondContact O-N 3.19Å; L17-K19 PolarHBondContact O-N 3.47Å; L17-Y20 PolarHBondContact O-N 2.8Å; L17-Y20 VanDerWaalsContact O-N 3.17Å; L17-V21 HydrophobicContact CD1-CG2 3.89Å; L17-V21 HydrophobicContact CG-CG2 4.35Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.03Å; L17-V100 HydrophobicContact CD2-CG2 4.4Å; L17-I187 HydrophobicContact CD1-CG2 4.23Å; L17-L190 VanDerWaalsContact CA-CD2 3.48Å; L17-L190 HydrophobicContact CB-CD2 3.75Å; L17-L190 HydrophobicContact CB-CG 4.19Å; L17-L190 HydrophobicContact CD1-CD2 4.09Å; L17-L190 HydrophobicContact CD1-CG 4.46Å; L17-L191 HydrophobicContact CD1-CD1 3.27Å; L17-L191 HydrophobicContact CD2-CD1 3.56Å; L17-L191 HydrophobicContact CD2-CG 4.4Å; L17-L191 HydrophobicContact CG-CD1 4.03Å
18A85.6Confident80.5Confident1 Ų163 Ų631%0.00833%0.331CS..Hα-helixtrans-56.5-40.4177.800000111.7L14 V22 L34 I38 L99L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 3.44Å; A18-V22 PolarHBondContact O-N 3.32Å; A18-V22 VanDerWaalsContact O-N 3.08Å; A18-L34 HydrophobicContact CB-CD2 4.04Å; A18-I38 HydrophobicContact CB-CD1 4.26Å; A18-L99 HydrophobicContact CB-CD1 4.31Å
19K88Confident82.4Confident75 Ų7561.2 Ų61.233%0.32631%0.314SS..Hα-helixtrans-65.6-43.7176.2-75.4-179.5179.2-173.90113.5K15 R16 L17 R23 D35 I38K15-K19 VanDerWaalsContact O-CG 3.31Å; K15-K19 WeakPolarHBondContact O-CG 3.37Å; K15-K19 PolarHBondContact O-N 2.86Å; K15-K19 VanDerWaalsContact O-N 3.15Å; R16-K19 PolarHBondContact O-N 3.23Å; L17-K19 PolarHBondContact O-N 3.47Å; K19-R23 VanDerWaalsContact O-CB 3.3Å; K19-R23 WeakPolarHBondContact O-CB 3.41Å; K19-R23 WeakPolarHBondContact O-CG 3.32Å; K19-R23 PolarHBondContact O-N 2.77Å; K19-D35 VanDerWaalsContact CE-OD1 3.3Å; K19-D35 WeakPolarHBondContact CE-OD1 3.32Å; K19-I38 HydrophobicContact CG-CD1 3.81Å
20Y87.5Confident84Confident133 Ų13355.4 Ų55.452%0.52229%0.287SS..Hα-helixtrans-69-41179-71.4-35.4000112.2R16 L17 G24 L190R16-Y20 HydrophobicContact CG-CD2 3.97Å; R16-Y20 HydrophobicContact CG-CE2 3.46Å; R16-Y20 VanDerWaalsContact CG-CE2 3.46Å; R16-Y20 PolarHBondContact O-N 2.98Å; L17-Y20 PolarHBondContact O-N 2.8Å; L17-Y20 VanDerWaalsContact O-N 3.17Å; Y20-G24 PolarHBondContact O-N 3.06Å; Y20-L190 HydrophobicContact CD2-CD2 3.76Å; Y20-L190 HydrophobicContact CE2-CD2 4.17Å
21V87.8Confident85.3Confident6 Ų654.3 Ų54.34%0.03628%0.281CS..Hα-helixtrans-62.1-49.5177.7172.10000110.6L17 G24 F25 F71 V103L17-V21 HydrophobicContact CD1-CG2 3.89Å; L17-V21 HydrophobicContact CG-CG2 4.35Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.03Å; V21-G24 PolarHBondContact O-N 3.17Å; V21-F25 HydrophobicContact CG1-CD2 4.05Å; V21-F25 WeakPolarHBondContact O-CD2 3.41Å; V21-F25 PolarHBondContact O-N 3.46Å; V21-F71 HydrophobicContact CG1-CZ 4.4Å; V21-V103 HydrophobicContact CG1-CG2 3.99Å; V21-V103 HydrophobicContact CG2-CG1 4.1Å; V21-V103 HydrophobicContact CG2-CG2 4.13Å
22V88.4Confident86.2Confident2 Ų257 Ų571%0.01229%0.294CS..Hα-helixtrans-73.9-32.7-175.6179.20000112.7A18 Y26 H30 A31 L34 F71A18-V22 PolarHBondContact O-N 3.32Å; A18-V22 VanDerWaalsContact O-N 3.08Å; V22-Y26 HydrophobicContact CB-CD2 4.48Å; V22-Y26 HydrophobicContact CG1-CD2 4.43Å; V22-Y26 HydrophobicContact CG1-CG 4.43Å; V22-Y26 HydrophobicContact CG2-CD2 4.26Å; V22-Y26 CarbonylContact O-C 3.58Å; V22-Y26 WeakPolarHBondContact O-CA 3.29Å; V22-Y26 WeakPolarHBondContact O-CB 3.43Å; V22-Y26 PolarHBondContact O-N 3.42Å; V22-Y26 VanDerWaalsContact O-N 3.14Å; V22-H30 HydrophobicContact CG1-CB 3.94Å; V22-A31 VanDerWaalsContact CG1-CA 3.49Å; V22-A31 HydrophobicContact CG1-CB 4.04Å; V22-L34 HydrophobicContact CB-CD2 3.99Å; V22-L34 HydrophobicContact CG1-CD2 4.49Å; V22-L34 HydrophobicContact CG2-CD2 3.53Å; V22-F71 HydrophobicContact CG2-CE2 4.44Å
23R89.4Confident86.9Confident138 Ų13853.8 Ų53.852%0.52127%0.268SS..Hα-helixtrans-72.5-27.5172.2-73.5-177.516681.52.9113.7K19 A31 D35K19-R23 VanDerWaalsContact O-CB 3.3Å; K19-R23 WeakPolarHBondContact O-CB 3.41Å; K19-R23 WeakPolarHBondContact O-CG 3.32Å; K19-R23 PolarHBondContact O-N 2.77Å; R23-A31 HydrophobicContact CG-CB 3.96Å; R23-D35 IonicContact CZ-OD2 2.87Å; R23-D35 IonicContact NH1-OD1 2.95Å; R23-D35 PolarHBondContact NH1-OD1 2.87Å; R23-D35 IonicContact NH1-OD2 3.29Å; R23-D35 PolarHBondContact NH1-OD2 3.4Å; R23-D35 IonicContact NH2-OD1 3.87Å; R23-D35 IonicContact NH2-OD2 2.78Å; R23-D35 PolarHBondContact NH2-OD2 3.1Å
24G86.7Confident87.5Confident62 Ų6253.2 Ų53.264%0.63926%0.263SS*.Hα-helixtrans-84.4-40.9-178.600000113.7Y20 V21Y20-G24 PolarHBondContact O-N 3.06Å; V21-G24 PolarHBondContact O-N 3.17Å
25F86.6Confident87.9Confident95 Ų9553.8 Ų53.842%0.41727%0.266SS..Hα-helixtrans-106.4-21.8-171.9-64.2-74.6000114.4V21 L107 M110 I184 I187V21-F25 HydrophobicContact CG1-CD2 4.05Å; V21-F25 WeakPolarHBondContact O-CD2 3.41Å; V21-F25 PolarHBondContact O-N 3.46Å; F25-L107 HydrophobicContact CZ-CD2 4.39Å; F25-M110 HydrophobicContact CE1-CE 4.09Å; F25-M110 HydrophobicContact CE1-SD 4.1Å; F25-I184 HydrophobicContact CZ-CD1 4.06Å; F25-I187 HydrophobicContact CE2-CD1 4.08Å; F25-I187 HydrophobicContact CZ-CD1 4.45Å
26Y90Very high88.1Confident45 Ų4551.2 Ų51.218%0.17626%0.255CS..SBendtrans-114.7163.7-176.9-62.7-99.9000111.5V22 H30 T65 D69 F71V22-Y26 HydrophobicContact CB-CD2 4.48Å; V22-Y26 HydrophobicContact CG1-CD2 4.43Å; V22-Y26 HydrophobicContact CG1-CG 4.43Å; V22-Y26 HydrophobicContact CG2-CD2 4.26Å; V22-Y26 CarbonylContact O-C 3.58Å; V22-Y26 WeakPolarHBondContact O-CA 3.29Å; V22-Y26 WeakPolarHBondContact O-CB 3.43Å; V22-Y26 PolarHBondContact O-N 3.42Å; V22-Y26 VanDerWaalsContact O-N 3.14Å; Y26-H30 HydrophobicContact CD1-CB 4.47Å; Y26-H30 HydrophobicContact CG-CB 4.36Å; Y26-T65 HydrophobicContact CE1-CG2 4.3Å; Y26-D69 VanDerWaalsContact CE1-OD2 3.28Å; Y26-D69 WeakPolarHBondContact CE1-OD2 3.41Å; Y26-D69 PolarHBondContact OH-OD2 3.24Å; Y26-F71 AromaticContact CE2-CE2 3.55Å; Y26-F71 HydrophobicContact CE2-CE2 3.55Å; Y26-F71 HydrophobicContact CE2-CZ 4.16Å; Y26-F71 AromaticContact CZ-CE2 3.6Å; Y26-F71 VanDerWaalsContact OH-CE2 3.31Å; Y26-F71 WeakPolarHBondContact OH-CE2 3.26Å
27G90.6Very high88Confident41 Ų4146 Ų4642%0.42324%0.236SC..  trans-67.3163.2174.400000112.9E29 H30 A31G27-E29 PolarHBondContact O-N 3.08Å; G27-E29 VanDerWaalsContact O-N 3.15Å; G27-H30 WeakPolarHBondContact O-CB 3.17Å; G27-H30 PolarHBondContact O-N 3.42Å; G27-A31 PolarHBondContact O-N 3.01Å
28I89Confident88Confident137 Ų13746.8 Ų46.870%0.70324%0.24SC*.Hα-helixtrans-55.8-35.6-178.5-57.8167.1000111.6H30 A31 L32I28-H30 VanDerWaalsContact C-N 3.32Å; I28-H30 PolarHBondContact O-N 3.35Å; I28-A31 WeakPolarHBondContact O-CB 3.29Å; I28-A31 PolarHBondContact O-N 2.97Å; I28-A31 VanDerWaalsContact O-N 3.17Å; I28-L32 HydrophobicContact CG2-CD1 4.2Å; I28-L32 HydrophobicContact CG2-CG 4.35Å; I28-L32 WeakPolarHBondContact O-CG 3.49Å; I28-L32 PolarHBondContact O-N 3.3Å
29E89.9Confident87.8Confident79 Ų7955.9 Ų55.937%0.36927%0.274SS..Hα-helixtrans-58.7-41.4178.2-58.2178.4-174.200112.7G27 A33 F54 Q58 V62G27-E29 PolarHBondContact O-N 3.08Å; G27-E29 VanDerWaalsContact O-N 3.15Å; E29-A33 PolarHBondContact O-N 3.49Å; E29-A33 VanDerWaalsContact O-N 3.17Å; E29-F54 HydrophobicContact CB-CZ 4.41Å; E29-F54 HydrophobicContact CG-CZ 4.44Å; E29-Q58 PolarHBondContact OE1-NE2 2.99Å; E29-Q58 PolarHBondContact OE2-NE2 2.96Å; E29-V62 HydrophobicContact CB-CG2 4.03Å
30H90.5Very high87.3Confident29 Ų2953.3 Ų53.313%0.13426%0.264CS..Hα-helixtrans-71.4-36.9178.5-58.577.6000110.8V22 Y26 G27 I28 A33 L34 V62 L66V22-H30 HydrophobicContact CG1-CB 3.94Å; Y26-H30 HydrophobicContact CD1-CB 4.47Å; Y26-H30 HydrophobicContact CG-CB 4.36Å; G27-H30 WeakPolarHBondContact O-CB 3.17Å; G27-H30 PolarHBondContact O-N 3.42Å; I28-H30 VanDerWaalsContact C-N 3.32Å; I28-H30 PolarHBondContact O-N 3.35Å; H30-A33 PolarHBondContact O-N 3.43Å; H30-L34 WeakPolarHBondContact O-CB 3.45Å; H30-L34 PolarHBondContact O-N 3.32Å; H30-V62 HydrophobicContact CB-CG1 4.37Å; H30-L66 HydrophobicContact CB-CD2 4.37Å
31A90.2Very high86.5Confident8 Ų850.3 Ų50.37%0.06626%0.261CS..Hα-helixtrans-64.6-41.1177.200000111.9V22 R23 G27 I28 L34 D35V22-A31 VanDerWaalsContact CG1-CA 3.49Å; V22-A31 HydrophobicContact CG1-CB 4.04Å; R23-A31 HydrophobicContact CG-CB 3.96Å; G27-A31 PolarHBondContact O-N 3.01Å; I28-A31 WeakPolarHBondContact O-CB 3.29Å; I28-A31 PolarHBondContact O-N 2.97Å; I28-A31 VanDerWaalsContact O-N 3.17Å; A31-L34 PolarHBondContact O-N 3.45Å; A31-D35 WeakPolarHBondContact O-CB 3.31Å; A31-D35 PolarHBondContact O-N 2.76Å
32L88.9Confident85.7Confident76 Ų7650.3 Ų50.340%0.39826%0.261SS..Hα-helixtrans-66.1-44.8176.8-68.3173000112I28 L34 D35 I36 L52 F54I28-L32 HydrophobicContact CG2-CD1 4.2Å; I28-L32 HydrophobicContact CG2-CG 4.35Å; I28-L32 WeakPolarHBondContact O-CG 3.49Å; I28-L32 PolarHBondContact O-N 3.3Å; L32-L34 VanDerWaalsContact C-N 3.3Å; L32-L34 PolarHBondContact O-N 3.07Å; L32-D35 PolarHBondContact O-N 2.89Å; L32-I36 PolarHBondContact O-N 3.24Å; L32-L52 HydrophobicContact CB-CD2 3.95Å; L32-F54 HydrophobicContact CD1-CZ 4.29Å
33A88.3Confident85.3Confident0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-59.6-42.3176.700000111.6E29 H30 I36 L37 M48 L52 V62 L66E29-A33 PolarHBondContact O-N 3.49Å; E29-A33 VanDerWaalsContact O-N 3.17Å; H30-A33 PolarHBondContact O-N 3.43Å; A33-I36 PolarHBondContact O-N 2.81Å; A33-L37 WeakPolarHBondContact O-CG 3.29Å; A33-L37 PolarHBondContact O-N 3.48Å; A33-M48 HydrophobicContact CB-CE 4.11Å; A33-M48 WeakPolarHBondContact O-CE 3.33Å; A33-L52 HydrophobicContact CB-CD1 4.36Å; A33-V62 HydrophobicContact CB-CG1 4.06Å; A33-L66 HydrophobicContact CB-CD1 4.35Å
34L88Confident85.1Confident1 Ų145.5 Ų45.51%0.00524%0.244CC..Hα-helixtrans-71-37.5178.1-16279.1000112.8A18 V22 H30 A31 L32 I36 L37 I38 I94A18-L34 HydrophobicContact CB-CD2 4.04Å; V22-L34 HydrophobicContact CB-CD2 3.99Å; V22-L34 HydrophobicContact CG1-CD2 4.49Å; V22-L34 HydrophobicContact CG2-CD2 3.53Å; H30-L34 WeakPolarHBondContact O-CB 3.45Å; H30-L34 PolarHBondContact O-N 3.32Å; A31-L34 PolarHBondContact O-N 3.45Å; L32-L34 VanDerWaalsContact C-N 3.3Å; L32-L34 PolarHBondContact O-N 3.07Å; L34-I36 PolarHBondContact O-N 2.97Å; L34-L37 CarbonylContact O-C 3.22Å; L34-L37 PolarHBondContact O-N 3.38Å; L34-L37 VanDerWaalsContact O-N 3.08Å; L34-I38 HydrophobicContact CD2-CD1 4.06Å; L34-I38 HydrophobicContact CG-CD1 4.05Å; L34-I38 HydrophobicContact CG-CG1 4.29Å; L34-I38 VanDerWaalsContact O-CG1 3.27Å; L34-I38 WeakPolarHBondContact O-CG1 3.4Å; L34-I38 PolarHBondContact O-N 3.26Å; L34-I94 HydrophobicContact CD1-CD1 3.65Å; L34-I94 HydrophobicContact CD1-CG1 3.97Å; L34-I94 HydrophobicContact CG-CD1 4.12Å
35D87.5Confident84.9Confident18 Ų1843.2 Ų43.210%0.09622%0.216CC..Hα-helixtrans-59.8-31.6178.1-83-24000112K19 R23 A31 L32 R39K19-D35 VanDerWaalsContact CE-OD1 3.3Å; K19-D35 WeakPolarHBondContact CE-OD1 3.32Å; R23-D35 IonicContact CZ-OD2 2.87Å; R23-D35 IonicContact NH1-OD1 2.95Å; R23-D35 PolarHBondContact NH1-OD1 2.87Å; R23-D35 IonicContact NH1-OD2 3.29Å; R23-D35 PolarHBondContact NH1-OD2 3.4Å; R23-D35 IonicContact NH2-OD1 3.87Å; R23-D35 IonicContact NH2-OD2 2.78Å; R23-D35 PolarHBondContact NH2-OD2 3.1Å; A31-D35 WeakPolarHBondContact O-CB 3.31Å; A31-D35 PolarHBondContact O-N 2.76Å; L32-D35 PolarHBondContact O-N 2.89Å; D35-R39 WeakPolarHBondContact O-CG 3.44Å; D35-R39 PolarHBondContact O-N 3.28Å
36I85.9Confident84.7Confident19 Ų1941.7 Ų41.710%0.09721%0.211CC..Hα-helixtrans-69.9-48.1172.2-65.8177000110.8L32 A33 L34 I38 R39 N40 L51 L52L32-I36 PolarHBondContact O-N 3.24Å; A33-I36 PolarHBondContact O-N 2.81Å; L34-I36 PolarHBondContact O-N 2.97Å; I36-I38 PolarHBondContact O-N 2.64Å; I36-R39 PolarHBondContact O-N 3.15Å; I36-R39 VanDerWaalsContact O-N 3.08Å; I36-N40 WeakPolarHBondContact O-CB 3.5Å; I36-N40 PolarHBondContact O-N 3.28Å; I36-L51 HydrophobicContact CD1-CB 4.01Å; I36-L51 HydrophobicContact CG2-CD1 4.05Å; I36-L52 HydrophobicContact CD1-CD1 3.91Å; I36-L52 HydrophobicContact CD1-CD2 3.39Å; I36-L52 HydrophobicContact CD1-CG 3.36Å; I36-L52 HydrophobicContact CG1-CD2 4.45Å
37L84.3Confident84.4Confident2 Ų241.3 Ų41.31%0.0121%0.211CC..Hα-helixtrans-64.8-22.7178.2-66173.4000113.3A33 L34 N40 V43 M48 I72 I94A33-L37 WeakPolarHBondContact O-CG 3.29Å; A33-L37 PolarHBondContact O-N 3.48Å; L34-L37 CarbonylContact O-C 3.22Å; L34-L37 PolarHBondContact O-N 3.38Å; L34-L37 VanDerWaalsContact O-N 3.08Å; L37-N40 CarbonylContact C-O 3.46Å; L37-N40 CarbonylContact O-C 3.54Å; L37-V43 HydrophobicContact CD2-CB 3.97Å; L37-V43 HydrophobicContact CD2-CG2 3.77Å; L37-M48 HydrophobicContact CD1-CE 4.23Å; L37-M48 HydrophobicContact CD2-CE 4.13Å; L37-M48 HydrophobicContact CD2-SD 4.04Å; L37-M48 HydrophobicContact CG-CE 3.9Å; L37-M48 HydrophobicContact CG-SD 4.42Å; L37-I72 HydrophobicContact CD1-CG2 3.82Å; L37-I94 HydrophobicContact CB-CD1 3.62Å; L37-I94 HydrophobicContact CB-CG1 3.82Å; L37-I94 HydrophobicContact CD1-CG1 4.39Å
38I84.4Confident84Confident16 Ų1639.3 Ų39.38%0.08219%0.191CC..Hα-helixtrans-76.6-33.5173.6-69.4167.1000111.4K15 A18 K19 L34 I36 I94K15-I38 HydrophobicContact CB-CG2 4.14Å; K15-I38 HydrophobicContact CD-CG2 3.99Å; K15-I38 HydrophobicContact CG-CG2 3.93Å; A18-I38 HydrophobicContact CB-CD1 4.26Å; K19-I38 HydrophobicContact CG-CD1 3.81Å; L34-I38 HydrophobicContact CD2-CD1 4.06Å; L34-I38 HydrophobicContact CG-CD1 4.05Å; L34-I38 HydrophobicContact CG-CG1 4.29Å; L34-I38 VanDerWaalsContact O-CG1 3.27Å; L34-I38 WeakPolarHBondContact O-CG1 3.4Å; L34-I38 PolarHBondContact O-N 3.26Å; I36-I38 PolarHBondContact O-N 2.64Å; I38-I94 HydrophobicContact CG1-CD1 3.74Å
39R81.9Confident83.8Confident191 Ų19134.5 Ų34.572%0.72117%0.167SC*.Hα-helixtrans-78.5-34.6176.5-72.3176178.9139-2.4111.7D35 I36D35-R39 WeakPolarHBondContact O-CG 3.44Å; D35-R39 PolarHBondContact O-N 3.28Å; I36-R39 PolarHBondContact O-N 3.15Å; I36-R39 VanDerWaalsContact O-N 3.08Å
40N78.1Confident83.6Confident21 Ų2136 Ų3611%0.11217%0.174CC..SBendtrans-121.2109.7-173.6-64.3-31.8000110I36 L37 C42 V43 I211I36-N40 WeakPolarHBondContact O-CB 3.5Å; I36-N40 PolarHBondContact O-N 3.28Å; L37-N40 CarbonylContact C-O 3.46Å; L37-N40 CarbonylContact O-C 3.54Å; N40-C42 VanDerWaalsContact C-N 3.3Å; N40-C42 PolarHBondContact O-N 3.37Å; N40-V43 HydrophobicContact CB-CG2 3.52Å; N40-I211 HydrophobicContact CB-CD1 4.11Å; N40-I211 HydrophobicContact CB-CG1 3.72Å; N40-I211 VanDerWaalsContact CG-CG2 3.5Å; N40-I211 VanDerWaalsContact ND2-CG2 3.3Å; N40-I211 WeakPolarHBondContact ND2-CG2 3.12Å; N40-I211 WeakPolarHBondContact OD1-CG2 3.46Å
41P70.8Confident83.2Confident70 Ų7038 Ų3846%0.45519%0.185SC..SBendtrans-59.9-34.2-173.1-24.633.3000114.6F93P41-F93 VanDerWaalsContact O-CB 3.3Å; P41-F93 WeakPolarHBondContact O-CB 3.43Å
42C69.9Low82.8Confident6 Ų639 Ų394%0.04119%0.189CC..SBendtrans-134.4132.9175.8-159.10000110.2N40 P208N40-C42 VanDerWaalsContact C-N 3.3Å; N40-C42 PolarHBondContact O-N 3.37Å; C42-P208 HydrophobicContact CB-CB 4.35Å; C42-P208 VanDerWaalsContact SG-CA 3.54Å
43V81.4Confident82.6Confident1 Ų143.6 Ų43.61%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-136.8134.5-176-170.80000110.8L37 N40 D47 M48 Y92 I211L37-V43 HydrophobicContact CD2-CB 3.97Å; L37-V43 HydrophobicContact CD2-CG2 3.77Å; N40-V43 HydrophobicContact CB-CG2 3.52Å; V43-D47 HydrophobicContact CG1-CB 3.8Å; V43-M48 HydrophobicContact CB-CG 4.07Å; V43-M48 HydrophobicContact CG1-CB 4.46Å; V43-M48 HydrophobicContact CG1-CG 3.31Å; V43-M48 HydrophobicContact CG1-SD 4.35Å; V43-Y92 PolarHBondContact N-O 2.95Å; V43-Y92 VanDerWaalsContact N-O 3.14Å; V43-Y92 PolarHBondContact O-N 2.84Å; V43-I211 HydrophobicContact CB-CD1 4.06Å; V43-I211 HydrophobicContact CG1-CD1 3.43Å; V43-I211 VanDerWaalsContact CG1-CD1 3.43Å; V43-I211 HydrophobicContact CG2-CD1 3.75Å; V43-I211 HydrophobicContact CG2-CG1 4.25Å
44K83.3Confident82.4Confident38 Ų3845.8 Ų45.817%0.16522%0.215CC..EExtended strand (participates in β ladder)trans-73.4150.5171.5-57.1-169.8-166-149.80110.4E46 D47 M48 E79 Y91K44-E46 VanDerWaalsContact C-N 3.27Å; K44-E46 PolarHBondContact O-N 3.17Å; K44-D47 HydrophobicContact CB-CB 4.23Å; K44-D47 WeakPolarHBondContact CB-OD2 3.27Å; K44-D47 WeakPolarHBondContact O-CB 3.16Å; K44-D47 PolarHBondContact O-N 2.9Å; K44-M48 PolarHBondContact O-N 2.99Å; K44-E79 IonicContact NZ-OE1 3.12Å; K44-E79 IonicContact NZ-OE2 3.11Å; K44-E79 PolarHBondContact NZ-OE2 3.01Å; K44-Y91 HydrophobicContact CD-CE1 4.01Å; K44-Y91 WeakPolarHBondContact CE-OH 3.19Å; K44-Y91 HydrophobicContact CG-CD1 3.92Å; K44-Y91 HydrophobicContact CG-CE1 3.37Å; K44-Y91 PolarHBondContact NZ-OH 3.44Å
45E82.5Confident82.5Confident14 Ų1450.1 Ų50.17%0.06524%0.239CC..Hα-helixtrans-55.9-41176.9-169.7177.7159.600112.9M48 L49 R60 N90 Y92E45-M48 PolarHBondContact O-N 3.04Å; E45-L49 PolarHBondContact O-N 2.91Å; E45-R60 IonicContact OE1-CZ 2.71Å; E45-R60 IonicContact OE1-NE 3.32Å; E45-R60 PolarHBondContact OE1-NE 3.15Å; E45-R60 IonicContact OE1-NH2 3.77Å; E45-R60 PolarHBondContact OE1-NH2 3.11Å; E45-R60 IonicContact OE2-CZ 3.12Å; E45-R60 IonicContact OE2-NE 3.38Å; E45-R60 IonicContact OE2-NH2 3.47Å; E45-N90 PolarHBondContact N-O 3.3Å; E45-N90 VanDerWaalsContact N-O 3.11Å; E45-N90 PolarHBondContact OE2-ND2 3.47Å; E45-Y92 HydrophobicContact CB-CE2 4.1Å; E45-Y92 HydrophobicContact CG-CE2 4.28Å
46E82.9Confident82.4Confident64 Ų6454.7 Ų54.730%0.29926%0.255SS..Hα-helixtrans-67.8-38.5-179.7-57.9-60.8151.500111.8K44 M48 L49 E50 R56K44-E46 VanDerWaalsContact C-N 3.27Å; K44-E46 PolarHBondContact O-N 3.17Å; E46-M48 PolarHBondContact O-N 3.45Å; E46-L49 VanDerWaalsContact O-CB 3.31Å; E46-L49 WeakPolarHBondContact O-CB 3.12Å; E46-L49 PolarHBondContact O-N 2.75Å; E46-L49 VanDerWaalsContact O-N 3.1Å; E46-E50 PolarHBondContact O-N 2.75Å; E46-R56 IonicContact OE1-CZ 2.75Å; E46-R56 VanDerWaalsContact OE1-CZ 3.28Å; E46-R56 IonicContact OE1-NH1 2.68Å; E46-R56 PolarHBondContact OE1-NH1 3.31Å; E46-R56 IonicContact OE1-NH2 3.15Å; E46-R56 PolarHBondContact OE1-NH2 3.06Å; E46-R56 IonicContact OE2-CZ 3.95Å; E46-R56 IonicContact OE2-NH2 3.82Å; E46-R56 PolarHBondContact OE2-NH2 3.37Å
47D84Confident82.6Confident36 Ų3662 Ų6219%0.19329%0.286CS..Hα-helixtrans-62.5-41.5176.3-70.1-10000112V43 K44 L49 E50 L51 I211 L214V43-D47 HydrophobicContact CG1-CB 3.8Å; K44-D47 HydrophobicContact CB-CB 4.23Å; K44-D47 WeakPolarHBondContact CB-OD2 3.27Å; K44-D47 WeakPolarHBondContact O-CB 3.16Å; K44-D47 PolarHBondContact O-N 2.9Å; D47-L49 VanDerWaalsContact C-N 3.29Å; D47-L49 PolarHBondContact O-N 2.89Å; D47-E50 PolarHBondContact O-N 2.62Å; D47-L51 WeakPolarHBondContact O-CB 3.27Å; D47-L51 VanDerWaalsContact O-CG 3.24Å; D47-L51 WeakPolarHBondContact O-CG 3.41Å; D47-L51 PolarHBondContact O-N 3.26Å; D47-I211 HydrophobicContact CB-CD1 4.15Å; D47-L214 HydrophobicContact CB-CD1 3.24Å
48M82.4Confident82.8Confident0 Ų065.1 Ų65.10%030%0.3CS..Hα-helixtrans-64.7-36.7174.1-63.7-163.876.700111.6A33 L37 V43 K44 E45 E46 L52 L59 L63A33-M48 HydrophobicContact CB-CE 4.11Å; A33-M48 WeakPolarHBondContact O-CE 3.33Å; L37-M48 HydrophobicContact CD1-CE 4.23Å; L37-M48 HydrophobicContact CD2-CE 4.13Å; L37-M48 HydrophobicContact CD2-SD 4.04Å; L37-M48 HydrophobicContact CG-CE 3.9Å; L37-M48 HydrophobicContact CG-SD 4.42Å; V43-M48 HydrophobicContact CB-CG 4.07Å; V43-M48 HydrophobicContact CG1-CB 4.46Å; V43-M48 HydrophobicContact CG1-CG 3.31Å; V43-M48 HydrophobicContact CG1-SD 4.35Å; K44-M48 PolarHBondContact O-N 2.99Å; E45-M48 PolarHBondContact O-N 3.04Å; E46-M48 PolarHBondContact O-N 3.45Å; M48-L52 HydrophobicContact CB-CD1 4.42Å; M48-L52 HydrophobicContact CE-CD1 4.27Å; M48-L52 VanDerWaalsContact O-CB 3.26Å; M48-L52 WeakPolarHBondContact O-CB 3.48Å; M48-L52 WeakPolarHBondContact O-CG 3.18Å; M48-L52 PolarHBondContact O-N 3.37Å; M48-L59 HydrophobicContact CB-CD1 4.38Å; M48-L59 HydrophobicContact CB-CD2 3.94Å; M48-L63 HydrophobicContact CE-CD2 4.16Å; M48-L63 HydrophobicContact SD-CD1 4.33Å; M48-L63 HydrophobicContact SD-CD2 3.93Å
49L85.8Confident83Confident35 Ų3564.5 Ų64.518%0.18330%0.297CS..Hα-helixtrans-66.3-43.5178.6-167.871000111.2E45 E46 D47 K53 F54 R56 L59E45-L49 PolarHBondContact O-N 2.91Å; E46-L49 VanDerWaalsContact O-CB 3.31Å; E46-L49 WeakPolarHBondContact O-CB 3.12Å; E46-L49 PolarHBondContact O-N 2.75Å; E46-L49 VanDerWaalsContact O-N 3.1Å; D47-L49 VanDerWaalsContact C-N 3.29Å; D47-L49 PolarHBondContact O-N 2.89Å; L49-K53 WeakPolarHBondContact O-CA 3.48Å; L49-K53 PolarHBondContact O-N 2.85Å; L49-F54 WeakPolarHBondContact CD1-O 3.25Å; L49-R56 HydrophobicContact CD1-CB 4.29Å; L49-R56 HydrophobicContact CD2-CB 4.42Å; L49-L59 HydrophobicContact CB-CD2 3.89Å; L49-L59 HydrophobicContact CD1-CB 4.35Å; L49-L59 HydrophobicContact CD1-CD2 3.81Å; L49-L59 HydrophobicContact CG-CD2 4.5Å
50E85.4Confident83.3Confident111 Ų11160 Ų6052%0.51928%0.28SS..Hα-helixtrans-67.4-41178.3-73.4-172.3-173.800112.9E46 D47 K53E46-E50 PolarHBondContact O-N 2.75Å; D47-E50 PolarHBondContact O-N 2.62Å; E50-K53 VanDerWaalsContact O-CD 3.29Å; E50-K53 WeakPolarHBondContact O-CD 3.06Å; E50-K53 WeakPolarHBondContact O-CE 3.42Å; E50-K53 PolarHBondContact O-NZ 2.78Å
51L81.4Confident83.9Confident72 Ų7261.6 Ų61.638%0.37730%0.296SS..Hα-helixtrans-72.4-42.9-179.3-71.4173000112.7I36 D47 I211 L214I36-L51 HydrophobicContact CD1-CB 4.01Å; I36-L51 HydrophobicContact CG2-CD1 4.05Å; D47-L51 WeakPolarHBondContact O-CB 3.27Å; D47-L51 VanDerWaalsContact O-CG 3.24Å; D47-L51 WeakPolarHBondContact O-CG 3.41Å; D47-L51 PolarHBondContact O-N 3.26Å; L51-I211 HydrophobicContact CD1-CD1 4.25Å; L51-L214 HydrophobicContact CD1-CD1 4.04Å; L51-L214 HydrophobicContact CD1-CG 4.33Å; L51-L214 HydrophobicContact CD2-CD2 3.88Å; L51-L214 HydrophobicContact CD2-CG 4.36Å; L51-L214 HydrophobicContact CG-CD1 4.32Å; L51-L214 HydrophobicContact CG-CD2 4.09Å; L51-L214 HydrophobicContact CG-CG 4.41Å
52L81.3Confident84.8Confident29 Ų2958.4 Ų58.415%0.15228%0.276CS..Hα-helixtrans-84.4-18-177.7-68.8161.3000113L32 A33 I36 M48 F54 L59L32-L52 HydrophobicContact CB-CD2 3.95Å; A33-L52 HydrophobicContact CB-CD1 4.36Å; I36-L52 HydrophobicContact CD1-CD1 3.91Å; I36-L52 HydrophobicContact CD1-CD2 3.39Å; I36-L52 HydrophobicContact CD1-CG 3.36Å; I36-L52 HydrophobicContact CG1-CD2 4.45Å; M48-L52 HydrophobicContact CB-CD1 4.42Å; M48-L52 HydrophobicContact CE-CD1 4.27Å; M48-L52 VanDerWaalsContact O-CB 3.26Å; M48-L52 WeakPolarHBondContact O-CB 3.48Å; M48-L52 WeakPolarHBondContact O-CG 3.18Å; M48-L52 PolarHBondContact O-N 3.37Å; L52-F54 HydrophobicContact CB-CB 4.4Å; L52-F54 HydrophobicContact CB-CD2 3.51Å; L52-F54 HydrophobicContact CB-CE2 3.93Å; L52-F54 HydrophobicContact CB-CG 3.98Å; L52-F54 HydrophobicContact CD1-CD2 3.84Å; L52-F54 HydrophobicContact CD1-CE2 4Å; L52-F54 HydrophobicContact CD2-CD2 4.38Å; L52-F54 HydrophobicContact CD2-CE2 3.95Å; L52-F54 HydrophobicContact CG-CD2 4.1Å; L52-F54 HydrophobicContact CG-CE2 4.17Å; L52-F54 PolarHBondContact O-N 3.05Å; L52-F54 VanDerWaalsContact O-N 3.13Å; L52-L59 HydrophobicContact CD1-CD1 3.76Å
53K85.7Confident85.7Confident172 Ų17258.1 Ų58.175%0.74827%0.274SS*.  trans50.732.2-172.4-59.1-64.7-176.8-168.20112.6L49 E50L49-K53 WeakPolarHBondContact O-CA 3.48Å; L49-K53 PolarHBondContact O-N 2.85Å; E50-K53 VanDerWaalsContact O-CD 3.29Å; E50-K53 WeakPolarHBondContact O-CD 3.06Å; E50-K53 WeakPolarHBondContact O-CE 3.42Å; E50-K53 PolarHBondContact O-NZ 2.78Å
54F83.8Confident86.2Confident45 Ų4562.2 Ų62.220%0.19730%0.295CS..  trans-79.6164.1175.1-77.7-36.3000111.9E29 L32 L49 L52 L59E29-F54 HydrophobicContact CB-CZ 4.41Å; E29-F54 HydrophobicContact CG-CZ 4.44Å; L32-F54 HydrophobicContact CD1-CZ 4.29Å; L49-F54 WeakPolarHBondContact CD1-O 3.25Å; L52-F54 HydrophobicContact CB-CB 4.4Å; L52-F54 HydrophobicContact CB-CD2 3.51Å; L52-F54 HydrophobicContact CB-CE2 3.93Å; L52-F54 HydrophobicContact CB-CG 3.98Å; L52-F54 HydrophobicContact CD1-CD2 3.84Å; L52-F54 HydrophobicContact CD1-CE2 4Å; L52-F54 HydrophobicContact CD2-CD2 4.38Å; L52-F54 HydrophobicContact CD2-CE2 3.95Å; L52-F54 HydrophobicContact CG-CD2 4.1Å; L52-F54 HydrophobicContact CG-CE2 4.17Å; L52-F54 PolarHBondContact O-N 3.05Å; L52-F54 VanDerWaalsContact O-N 3.13Å; F54-L59 HydrophobicContact CB-CB 4.25Å; F54-L59 HydrophobicContact CD2-CD1 4.29Å
55D89.6Confident86.6Confident93 Ų9363.4 Ų63.450%0.49731%0.306SS..  trans-69.6144.2165.3-178.150.3000110.6K57 Q58 L59D55-K57 PolarHBondContact O-N 3Å; D55-K57 WeakPolarHBondContact OD2-CB 3.34Å; D55-K57 PolarHBondContact OD2-N 3.02Å; D55-Q58 HydrophobicContact CB-CB 4.22Å; D55-Q58 PolarHBondContact O-N 2.82Å; D55-Q58 VanDerWaalsContact O-N 3.13Å; D55-L59 PolarHBondContact O-N 3.41Å
56R86.1Confident86.8Confident113 Ų11362.7 Ų62.743%0.42630%0.303SS..Hα-helixtrans-57.9-37-178.2-177.5179-78.1-110.5-1111.6E46 L49 R60E46-R56 IonicContact OE1-CZ 2.75Å; E46-R56 VanDerWaalsContact OE1-CZ 3.28Å; E46-R56 IonicContact OE1-NH1 2.68Å; E46-R56 PolarHBondContact OE1-NH1 3.31Å; E46-R56 IonicContact OE1-NH2 3.15Å; E46-R56 PolarHBondContact OE1-NH2 3.06Å; E46-R56 IonicContact OE2-CZ 3.95Å; E46-R56 IonicContact OE2-NH2 3.82Å; E46-R56 PolarHBondContact OE2-NH2 3.37Å; L49-R56 HydrophobicContact CD1-CB 4.29Å; L49-R56 HydrophobicContact CD2-CB 4.42Å; R56-R60 WeakPolarHBondContact O-CB 3.11Å; R56-R60 PolarHBondContact O-N 2.85Å; R56-R60 VanDerWaalsContact O-N 3.15Å
57K89.3Confident87.2Confident173 Ų17364.1 Ų64.175%0.75231%0.308SS*.Hα-helixtrans-72.3-41.1179.3-61.8178.4-179.5175.40111.6D55 R60 A61D55-K57 PolarHBondContact O-N 3Å; D55-K57 WeakPolarHBondContact OD2-CB 3.34Å; D55-K57 PolarHBondContact OD2-N 3.02Å; K57-R60 PolarHBondContact O-N 3.3Å; K57-A61 PolarHBondContact O-N 2.97Å
58Q88.7Confident87.4Confident68 Ų6865.2 Ų65.232%0.31833%0.327SS..Hα-helixtrans-64.6-48.2178.8-173.7178.612.700111.2E29 D55 R60 A61 V62E29-Q58 PolarHBondContact OE1-NE2 2.99Å; E29-Q58 PolarHBondContact OE2-NE2 2.96Å; D55-Q58 HydrophobicContact CB-CB 4.22Å; D55-Q58 PolarHBondContact O-N 2.82Å; D55-Q58 VanDerWaalsContact O-N 3.13Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 2.9Å; Q58-A61 WeakPolarHBondContact O-CB 3.43Å; Q58-A61 PolarHBondContact O-N 3.11Å; Q58-A61 VanDerWaalsContact O-N 3.14Å; Q58-V62 WeakPolarHBondContact O-CG2 3.49Å; Q58-V62 PolarHBondContact O-N 3.38Å
59L88Confident87.7Confident2 Ų267 Ų671%0.0134%0.337CS..Hα-helixtrans-59.2-43.7176.9-179.364.1000111.3M48 L49 L52 F54 D55 A61 V62 L63M48-L59 HydrophobicContact CB-CD1 4.38Å; M48-L59 HydrophobicContact CB-CD2 3.94Å; L49-L59 HydrophobicContact CB-CD2 3.89Å; L49-L59 HydrophobicContact CD1-CB 4.35Å; L49-L59 HydrophobicContact CD1-CD2 3.81Å; L49-L59 HydrophobicContact CG-CD2 4.5Å; L52-L59 HydrophobicContact CD1-CD1 3.76Å; F54-L59 HydrophobicContact CB-CB 4.25Å; F54-L59 HydrophobicContact CD2-CD1 4.29Å; D55-L59 PolarHBondContact O-N 3.41Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 3.26Å; L59-V62 PolarHBondContact O-N 3.32Å; L59-L63 HydrophobicContact CD1-CD1 4.09Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 3.87Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.49Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 2.95Å
60R88.1Confident87.7Confident96 Ų9671.5 Ų71.536%0.36236%0.355SS..Hα-helixtrans-61.4-40.1176.9-170.673.27394.1-4.2112.1E45 R56 K57 Q58 N64E45-R60 IonicContact OE1-CZ 2.71Å; E45-R60 IonicContact OE1-NE 3.32Å; E45-R60 PolarHBondContact OE1-NE 3.15Å; E45-R60 IonicContact OE1-NH2 3.77Å; E45-R60 PolarHBondContact OE1-NH2 3.11Å; E45-R60 IonicContact OE2-CZ 3.12Å; E45-R60 IonicContact OE2-NE 3.38Å; E45-R60 IonicContact OE2-NH2 3.47Å; R56-R60 WeakPolarHBondContact O-CB 3.11Å; R56-R60 PolarHBondContact O-N 2.85Å; R56-R60 VanDerWaalsContact O-N 3.15Å; K57-R60 PolarHBondContact O-N 3.3Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 2.9Å; R60-N64 VanDerWaalsContact O-CB 3.28Å; R60-N64 WeakPolarHBondContact O-CB 3.25Å; R60-N64 PolarHBondContact O-N 3.19Å; R60-N64 PolarHBondContact O-ND2 2.9Å
61A91.1Very high87.6Confident55 Ų5566.3 Ų66.346%0.45533%0.331SS..Hα-helixtrans-64-47.8176.700000111.6K57 Q58 L59 L63 N64 T65K57-A61 PolarHBondContact O-N 2.97Å; Q58-A61 WeakPolarHBondContact O-CB 3.43Å; Q58-A61 PolarHBondContact O-N 3.11Å; Q58-A61 VanDerWaalsContact O-N 3.14Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A61 PolarHBondContact O-N 3.26Å; A61-L63 PolarHBondContact O-N 2.76Å; A61-N64 PolarHBondContact O-N 2.97Å; A61-T65 PolarHBondContact O-N 3.47Å; A61-T65 PolarHBondContact O-OG1 3.36Å; A61-T65 VanDerWaalsContact O-OG1 3.05Å
62V90.9Very high87.9Confident4 Ų463.1 Ų63.12%0.02431%0.314CS..Hα-helixtrans-59.3-46.9177.2172.50000111.2E29 H30 A33 Q58 L59 N64 T65 L66E29-V62 HydrophobicContact CB-CG2 4.03Å; H30-V62 HydrophobicContact CB-CG1 4.37Å; A33-V62 HydrophobicContact CB-CG1 4.06Å; Q58-V62 WeakPolarHBondContact O-CG2 3.49Å; Q58-V62 PolarHBondContact O-N 3.38Å; L59-V62 PolarHBondContact O-N 3.32Å; V62-N64 PolarHBondContact O-N 3.32Å; V62-T65 PolarHBondContact O-N 2.86Å; V62-L66 HydrophobicContact CG1-CD1 4.33Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.02Å; V62-L66 VanDerWaalsContact O-N 3.08Å
63L88.3Confident88Confident0 Ų064.9 Ų64.90%032%0.321CS..Hα-helixtrans-65-37.6177.9-69.9174.9000112.4M48 L59 A61 T65 L66 K67 I72 Y92M48-L63 HydrophobicContact CE-CD2 4.16Å; M48-L63 HydrophobicContact SD-CD1 4.33Å; M48-L63 HydrophobicContact SD-CD2 3.93Å; L59-L63 HydrophobicContact CD1-CD1 4.09Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 3.87Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.49Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 2.95Å; A61-L63 PolarHBondContact O-N 2.76Å; L63-T65 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 PolarHBondContact O-N 3.42Å; L63-I72 HydrophobicContact CB-CD1 4.5Å; L63-I72 HydrophobicContact CD2-CD1 3.88Å; L63-Y92 HydrophobicContact CB-CE1 4.43Å; L63-Y92 HydrophobicContact CD1-CD2 4.12Å; L63-Y92 HydrophobicContact CD1-CE2 3.68Å
64N90.9Very high87.9Confident86 Ų8658.5 Ų58.546%0.4630%0.297SS..Hα-helixtrans-66.1-37.1176.1-77.6-19.9000112.2R60 A61 V62 K67 G68R60-N64 VanDerWaalsContact O-CB 3.28Å; R60-N64 WeakPolarHBondContact O-CB 3.25Å; R60-N64 PolarHBondContact O-N 3.19Å; R60-N64 PolarHBondContact O-ND2 2.9Å; A61-N64 PolarHBondContact O-N 2.97Å; V62-N64 PolarHBondContact O-N 3.32Å; N64-K67 PolarHBondContact O-N 3.01Å; N64-G68 PolarHBondContact O-N 3.41Å
65T91.6Very high87.7Confident63 Ų6361.4 Ų61.439%0.38731%0.307SS..Hα-helixtrans-62.8-50173.4-53.80000110.8Y26 A61 V62 L63 K67 G68 D69Y26-T65 HydrophobicContact CE1-CG2 4.3Å; A61-T65 PolarHBondContact O-N 3.47Å; A61-T65 PolarHBondContact O-OG1 3.36Å; A61-T65 VanDerWaalsContact O-OG1 3.05Å; V62-T65 PolarHBondContact O-N 2.86Å; L63-T65 VanDerWaalsContact C-N 3.35Å; T65-K67 VanDerWaalsContact C-N 3.27Å; T65-K67 PolarHBondContact O-N 3.2Å; T65-G68 PolarHBondContact O-N 2.79Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-D69 PolarHBondContact O-N 2.89Å
66L88.6Confident87.3Confident0 Ų062.1 Ų62.10%031%0.308CS..Hα-helixtrans-62.1-34.8177.9-67175.3000112.6H30 A33 V62 L63 K70 F71 I72H30-L66 HydrophobicContact CB-CD2 4.37Å; A33-L66 HydrophobicContact CB-CD1 4.35Å; V62-L66 HydrophobicContact CG1-CD1 4.33Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.02Å; V62-L66 VanDerWaalsContact O-N 3.08Å; L63-L66 PolarHBondContact O-N 2.87Å; L66-K70 PolarHBondContact O-N 3.36Å; L66-F71 HydrophobicContact CD2-CD2 4.06Å; L66-F71 PolarHBondContact O-N 3.3Å; L66-F71 VanDerWaalsContact O-N 3.08Å; L66-I72 HydrophobicContact CB-CD1 3.7Å; L66-I72 HydrophobicContact CB-CG1 3.92Å
67K89.3Confident86.7Confident94 Ų9461.4 Ų61.441%0.40931%0.306SS..Hα-helixtrans-71-41.2174.9-174.9179.4178.9178.70111.5L63 N64 T65 D69 K70 I72 C74L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 PolarHBondContact O-N 3.42Å; N64-K67 PolarHBondContact O-N 3.01Å; T65-K67 VanDerWaalsContact C-N 3.27Å; T65-K67 PolarHBondContact O-N 3.2Å; K67-D69 VanDerWaalsContact C-N 3.33Å; K67-D69 PolarHBondContact O-N 2.77Å; K67-K70 WeakPolarHBondContact O-CA 3.39Å; K67-K70 PolarHBondContact O-N 3.42Å; K67-I72 HydrophobicContact CB-CD1 4.44Å; K67-I72 HydrophobicContact CB-CG1 4.06Å; K67-C74 HydrophobicContact CD-CB 4.08Å
68G88.8Confident86.1Confident58 Ų5857.1 Ų57.160%0.59829%0.294SS*.Hα-helixtrans-62.8-38.8177.400000112.5N64 T65 K70N64-G68 PolarHBondContact O-N 3.41Å; T65-G68 PolarHBondContact O-N 2.79Å; T65-G68 VanDerWaalsContact O-N 3.15Å; G68-K70 PolarHBondContact O-N 3.06Å
69D88.3Confident85.4Confident37 Ų3757 Ų5720%0.19829%0.293CS..THydrogen-bonded Turntrans-77.32.5173.5-77.6-45.6000113.9Y26 T65 K67 F71 K106Y26-D69 VanDerWaalsContact CE1-OD2 3.28Å; Y26-D69 WeakPolarHBondContact CE1-OD2 3.41Å; Y26-D69 PolarHBondContact OH-OD2 3.24Å; T65-D69 PolarHBondContact O-N 2.89Å; K67-D69 VanDerWaalsContact C-N 3.33Å; K67-D69 PolarHBondContact O-N 2.77Å; D69-F71 HydrophobicContact CB-CD2 4.35Å; D69-F71 HydrophobicContact CB-CE2 4.36Å; D69-F71 HydrophobicContact CB-CG 4.48Å; D69-F71 HydrophobicContact CB-CZ 4.49Å; D69-F71 PolarHBondContact O-N 2.99Å; D69-K106 IonicContact OD1-NZ 3.33Å; D69-K106 PolarHBondContact OD1-NZ 2.86Å
70K85.8Confident84.5Confident130 Ų13061.9 Ų61.957%0.56532%0.323SS*.THydrogen-bonded Turntrans60.327.1178-50.9179.3179.8-178.80114.3L66 K67 G68 V102L66-K70 PolarHBondContact O-N 3.36Å; K67-K70 WeakPolarHBondContact O-CA 3.39Å; K67-K70 PolarHBondContact O-N 3.42Å; G68-K70 PolarHBondContact O-N 3.06Å; K70-V102 HydrophobicContact CB-CG2 4.25Å
71F83.8Confident83.5Confident2 Ų258.8 Ų58.81%0.00932%0.318CS..SBendtrans-79.2-35.8172.4-66.6-17.7000112.1V21 V22 Y26 L66 D69 N95 L99 V102 V103V21-F71 HydrophobicContact CG1-CZ 4.4Å; V22-F71 HydrophobicContact CG2-CE2 4.44Å; Y26-F71 AromaticContact CE2-CE2 3.55Å; Y26-F71 HydrophobicContact CE2-CE2 3.55Å; Y26-F71 HydrophobicContact CE2-CZ 4.16Å; Y26-F71 AromaticContact CZ-CE2 3.6Å; Y26-F71 VanDerWaalsContact OH-CE2 3.31Å; Y26-F71 WeakPolarHBondContact OH-CE2 3.26Å; L66-F71 HydrophobicContact CD2-CD2 4.06Å; L66-F71 PolarHBondContact O-N 3.3Å; L66-F71 VanDerWaalsContact O-N 3.08Å; D69-F71 HydrophobicContact CB-CD2 4.35Å; D69-F71 HydrophobicContact CB-CE2 4.36Å; D69-F71 HydrophobicContact CB-CG 4.48Å; D69-F71 HydrophobicContact CB-CZ 4.49Å; D69-F71 PolarHBondContact O-N 2.99Å; F71-N95 PolarHBondContact O-N 2.99Å; F71-L99 HydrophobicContact CB-CD1 4.27Å; F71-L99 HydrophobicContact CD1-CB 4.24Å; F71-L99 HydrophobicContact CD1-CD1 4.14Å; F71-L99 HydrophobicContact CD1-CG 3.88Å; F71-L99 HydrophobicContact CE1-CG 4.19Å; F71-L99 HydrophobicContact CG-CD1 4.18Å; F71-L99 HydrophobicContact CG-CG 4.43Å; F71-V102 HydrophobicContact CE1-CB 4.21Å; F71-V102 HydrophobicContact CE1-CG1 3.83Å; F71-V103 HydrophobicContact CE1-CG2 4.24Å; F71-V103 HydrophobicContact CZ-CG2 4.42Å
72I87.3Confident82.2Confident5 Ų562.4 Ų62.43%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-118.7142.6178.965.7177.7000110.8L37 L63 L66 K67 Y92 F93 I94L37-I72 HydrophobicContact CD1-CG2 3.82Å; L63-I72 HydrophobicContact CB-CD1 4.5Å; L63-I72 HydrophobicContact CD2-CD1 3.88Å; L66-I72 HydrophobicContact CB-CD1 3.7Å; L66-I72 HydrophobicContact CB-CG1 3.92Å; K67-I72 HydrophobicContact CB-CD1 4.44Å; K67-I72 HydrophobicContact CB-CG1 4.06Å; I72-Y92 HydrophobicContact CD1-CD1 3.77Å; I72-Y92 HydrophobicContact CD1-CE1 4.3Å; I72-Y92 HydrophobicContact CG1-CD1 4.47Å; I72-F93 VanDerWaalsContact CA-O 3.3Å; I72-F93 WeakPolarHBondContact CA-O 3.46Å; I72-I94 HydrophobicContact CG2-CG1 4.29Å
73K84.5Confident81.2Confident67 Ų6767.6 Ų67.629%0.29136%0.364SS..EExtended strand (participates in β ladder)trans-99.7151.5166.8-76.7-175.2178.4-179.90108.9F93 N95 E205K73-F93 HydrophobicContact CB-CD1 4.4Å; K73-F93 HydrophobicContact CB-CD2 4.34Å; K73-F93 HydrophobicContact CB-CE1 3.79Å; K73-F93 HydrophobicContact CB-CE2 3.74Å; K73-F93 HydrophobicContact CB-CZ 3.44Å; K73-F93 VanDerWaalsContact CB-CZ 3.44Å; K73-F93 HydrophobicContact CD-CE2 3.9Å; K73-F93 HydrophobicContact CD-CZ 3.75Å; K73-F93 HydrophobicContact CG-CE2 4.3Å; K73-F93 HydrophobicContact CG-CZ 4.22Å; K73-F93 PolarHBondContact N-O 3.17Å; K73-F93 PolarHBondContact O-N 3.42Å; K73-N95 HydrophobicContact CG-CB 4.46Å; K73-E205 IonicContact NZ-OE1 3.86Å; K73-E205 PolarHBondContact NZ-OE1 3.24Å
74C83.4Confident80.3Confident37 Ų3770.4 Ų70.425%0.2539%0.394CS..EExtended strand (participates in β ladder)trans-117.6119.61791800000107.6K67 Y91 Y92K67-C74 HydrophobicContact CD-CB 4.08Å; C74-Y91 CarbonylContact C-O 3.57Å; C74-Y91 WeakPolarHBondContact CA-O 3.32Å; C74-Y92 HydrophobicContact CB-CD1 4.16Å; C74-Y92 HydrophobicContact CB-CE1 3.9Å
75R80.1Confident79.6Confident106 Ų10672.6 Ų72.640%0.440%0.399SS..EExtended strand (participates in β ladder)trans-107119.7171.7-166.3-173.2-169.8-174.16.9108.3R77 Y91 F93R75-R77 VanDerWaalsContact CZ-NH2 3.32Å; R75-R77 VanDerWaalsContact NH1-CZ 3.35Å; R75-R77 VanDerWaalsContact NH2-NH2 3.16Å; R75-Y91 PolarHBondContact N-O 3.16Å; R75-Y91 PolarHBondContact O-N 3.3Å; R75-F93 HydrophobicContact CB-CE1 4.39Å
76M79.8Confident78.7Confident109 Ų10974.3 Ų74.354%0.53741%0.41SS..EExtended strand (participates in β ladder)trans-86.7124.8173-173.2176.46700107.8R88 H89M76-R88 HydrophobicContact CG-CB 4.35Å; M76-R88 HydrophobicContact SD-CB 4.32Å; M76-R88 HydrophobicContact SD-CG 4.42Å; M76-H89 WeakPolarHBondContact CA-O 3.3Å
77R75.2Confident78.1Confident98 Ų9876.8 Ų76.837%0.3743%0.425SS..EExtended strand (participates in β ladder)trans-119.8143166.8-79.4-164166.8-177.5-4.7109.2R75 H89 Y91R75-R77 VanDerWaalsContact CZ-NH2 3.32Å; R75-R77 VanDerWaalsContact NH1-CZ 3.35Å; R75-R77 VanDerWaalsContact NH2-NH2 3.16Å; R77-H89 PolarHBondContact N-O 3.06Å; R77-H89 PolarHBondContact O-N 3.38Å; R77-Y91 HydrophobicContact CB-CD2 4.24Å; R77-Y91 HydrophobicContact CB-CE2 3.99Å
78V76.1Confident77.7Confident83 Ų8381.1 Ų81.150%0.50344%0.438SS..EExtended strand (participates in β ladder)trans-99.5110.2178.3-170.70000106T86 R88V78-T86 HydrophobicContact CG1-CG2 3.05Å; V78-R88 HydrophobicContact CG2-CG 4.18Å
79E72.8Confident77.4Confident65 Ų6580.4 Ų80.430%0.30442%0.42SS..EExtended strand (participates in β ladder)trans-104.8125.5174.5-72.8167.9-15900107K44 A81 T87 H89 Y91K44-E79 IonicContact NZ-OE1 3.12Å; K44-E79 IonicContact NZ-OE2 3.11Å; K44-E79 PolarHBondContact NZ-OE2 3.01Å; E79-A81 PolarHBondContact O-N 3.12Å; E79-T87 PolarHBondContact N-O 3.49Å; E79-T87 PolarHBondContact O-N 3.49Å; E79-T87 PolarHBondContact O-OG1 2.85Å; E79-H89 IonicContact OE2-CD2 3.67Å; E79-Y91 PolarHBondContact OE1-OH 2.85Å
80T70.1Confident77.3Confident105 Ų10580.2 Ų80.264%0.64442%0.418SS*.EExtended strand (participates in β ladder)trans-76.7108.4171.2-55.30000107.2
81A68.1Low77.3Confident30 Ų3074.9 Ų74.925%0.24840%0.395CS..  trans-64.2158.117600000110.2E79 D83 G84 K85E79-A81 PolarHBondContact O-N 3.12Å; A81-D83 PolarHBondContact O-N 3.29Å; A81-G84 PolarHBondContact O-N 3.17Å; A81-K85 PolarHBondContact N-O 3.11Å
82P63.1Low77.4Confident131 Ų13175 Ų7585%0.85140%0.395SS*.THydrogen-bonded Turntrans-60.7-9.7177.124.6-35.5000114.3G84P82-G84 VanDerWaalsContact C-N 3.31Å
83D68.9Low77.3Confident113 Ų11375.5 Ų75.560%0.60440%0.398SS*.THydrogen-bonded Turntrans-89.111.7174.6-166.836.2000112.9A81 K85A81-D83 PolarHBondContact O-N 3.29Å; D83-K85 PolarHBondContact O-N 3.07Å; D83-K85 WeakPolarHBondContact OD2-CE 3.49Å; D83-K85 IonicContact OD2-NZ 2.73Å; D83-K85 PolarHBondContact OD2-NZ 3.4Å
84G70.7Confident77.3Confident60 Ų6072.6 Ų72.662%0.61939%0.385SS*.SBendtrans67.91.2-178.200000114.8A81 P82A81-G84 PolarHBondContact O-N 3.17Å; P82-G84 VanDerWaalsContact C-N 3.31Å
85K75.4Confident77.2Confident132 Ų13271 Ų7157%0.57437%0.374SS*.  trans-87.1122.6177.5-69.6175.4-172.9136.50110.4A81 D83 T87A81-K85 PolarHBondContact N-O 3.11Å; D83-K85 PolarHBondContact O-N 3.07Å; D83-K85 WeakPolarHBondContact OD2-CE 3.49Å; D83-K85 IonicContact OD2-NZ 2.73Å; D83-K85 PolarHBondContact OD2-NZ 3.4Å; K85-T87 PolarHBondContact O-N 2.96Å
86T73.3Confident77.1Confident98 Ų9866.5 Ų66.560%0.60136%0.357SS*.EExtended strand (participates in β ladder)trans-65.7100.6173.7-48.40000110.5V78V78-T86 HydrophobicContact CG1-CG2 3.05Å
87T76.4Confident76.9Confident52 Ų5268 Ų6832%0.31936%0.357SS..EExtended strand (participates in β ladder)trans-98.6128.8178.243.20000111.4E79 K85 H89E79-T87 PolarHBondContact N-O 3.49Å; E79-T87 PolarHBondContact O-N 3.49Å; E79-T87 PolarHBondContact O-OG1 2.85Å; K85-T87 PolarHBondContact O-N 2.96Å; T87-H89 PolarHBondContact OG1-NE2 2.92Å
88R81.1Confident77.3Confident185 Ų18566.3 Ų66.370%0.69836%0.355SS*.EExtended strand (participates in β ladder)trans-92.7111.9177.7-65.3-175.2-80-175.2-6.5109.3M76 V78M76-R88 HydrophobicContact CG-CB 4.35Å; M76-R88 HydrophobicContact SD-CB 4.32Å; M76-R88 HydrophobicContact SD-CG 4.42Å; V78-R88 HydrophobicContact CG2-CG 4.18Å
89H82.3Confident77.7Confident44 Ų4462.4 Ų62.420%0.20433%0.331CS..EExtended strand (participates in β ladder)trans-99.3130.8175.5-71.2-84.3000110.9M76 R77 E79 T87 Y91M76-H89 WeakPolarHBondContact CA-O 3.3Å; R77-H89 PolarHBondContact N-O 3.06Å; R77-H89 PolarHBondContact O-N 3.38Å; E79-H89 IonicContact OE2-CD2 3.67Å; T87-H89 PolarHBondContact OG1-NE2 2.92Å; H89-Y91 HydrophobicContact CB-CE2 4.04Å
90N86Confident78.2Confident32 Ų3260.1 Ų60.117%0.17132%0.321CS..EExtended strand (participates in β ladder)trans-94.2118.8172-62.9-47.8000108.9E45 Y92E45-N90 PolarHBondContact N-O 3.3Å; E45-N90 VanDerWaalsContact N-O 3.11Å; E45-N90 PolarHBondContact OE2-ND2 3.47Å; N90-Y92 HydrophobicContact CB-CE2 3.94Å
91Y84.6Confident78.8Confident19 Ų1959.3 Ų59.38%0.07531%0.313CS..EExtended strand (participates in β ladder)trans-97128.9172.4-71.6-88.1000109.8K44 C74 R75 R77 E79 H89 P208K44-Y91 HydrophobicContact CD-CE1 4.01Å; K44-Y91 WeakPolarHBondContact CE-OH 3.19Å; K44-Y91 HydrophobicContact CG-CD1 3.92Å; K44-Y91 HydrophobicContact CG-CE1 3.37Å; K44-Y91 PolarHBondContact NZ-OH 3.44Å; C74-Y91 CarbonylContact C-O 3.57Å; C74-Y91 WeakPolarHBondContact CA-O 3.32Å; R75-Y91 PolarHBondContact N-O 3.16Å; R75-Y91 PolarHBondContact O-N 3.3Å; R77-Y91 HydrophobicContact CB-CD2 4.24Å; R77-Y91 HydrophobicContact CB-CE2 3.99Å; E79-Y91 PolarHBondContact OE1-OH 2.85Å; H89-Y91 HydrophobicContact CB-CE2 4.04Å; Y91-P208 HydrophobicContact CD1-CB 4.07Å; Y91-P208 HydrophobicContact CE1-CB 4.02Å
92Y86.8Confident79.8Confident4 Ų459 Ų592%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-109.8135.3176.8-63.7-80000110.5V43 E45 L63 I72 C74 N90V43-Y92 PolarHBondContact N-O 2.95Å; V43-Y92 VanDerWaalsContact N-O 3.14Å; V43-Y92 PolarHBondContact O-N 2.84Å; E45-Y92 HydrophobicContact CB-CE2 4.1Å; E45-Y92 HydrophobicContact CG-CE2 4.28Å; L63-Y92 HydrophobicContact CB-CE1 4.43Å; L63-Y92 HydrophobicContact CD1-CD2 4.12Å; L63-Y92 HydrophobicContact CD1-CE2 3.68Å; I72-Y92 HydrophobicContact CD1-CD1 3.77Å; I72-Y92 HydrophobicContact CD1-CE1 4.3Å; I72-Y92 HydrophobicContact CG1-CD1 4.47Å; C74-Y92 HydrophobicContact CB-CD1 4.16Å; C74-Y92 HydrophobicContact CB-CE1 3.9Å; N90-Y92 HydrophobicContact CB-CE2 3.94Å
93F84.4Confident80.9Confident16 Ų1653 Ų537%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-143.5153174.363.6-89.8000110.8P41 I72 K73 R75 P206P41-F93 VanDerWaalsContact O-CB 3.3Å; P41-F93 WeakPolarHBondContact O-CB 3.43Å; I72-F93 VanDerWaalsContact CA-O 3.3Å; I72-F93 WeakPolarHBondContact CA-O 3.46Å; K73-F93 HydrophobicContact CB-CD1 4.4Å; K73-F93 HydrophobicContact CB-CD2 4.34Å; K73-F93 HydrophobicContact CB-CE1 3.79Å; K73-F93 HydrophobicContact CB-CE2 3.74Å; K73-F93 HydrophobicContact CB-CZ 3.44Å; K73-F93 VanDerWaalsContact CB-CZ 3.44Å; K73-F93 HydrophobicContact CD-CE2 3.9Å; K73-F93 HydrophobicContact CD-CZ 3.75Å; K73-F93 HydrophobicContact CG-CE2 4.3Å; K73-F93 HydrophobicContact CG-CZ 4.22Å; K73-F93 PolarHBondContact N-O 3.17Å; K73-F93 PolarHBondContact O-N 3.42Å; R75-F93 HydrophobicContact CB-CE1 4.39Å; F93-P206 HydrophobicContact CB-CG 3.85Å; F93-P206 HydrophobicContact CD2-CG 3.68Å; F93-P206 HydrophobicContact CE2-CG 4.38Å; F93-P206 HydrophobicContact CG-CG 3.89Å
94I84.8Confident81.7Confident6 Ų650.6 Ų50.63%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-84.8126.7179.4-60.2169.6000109.1L34 L37 I38 I72 Y96 L99L34-I94 HydrophobicContact CD1-CD1 3.65Å; L34-I94 HydrophobicContact CD1-CG1 3.97Å; L34-I94 HydrophobicContact CG-CD1 4.12Å; L37-I94 HydrophobicContact CB-CD1 3.62Å; L37-I94 HydrophobicContact CB-CG1 3.82Å; L37-I94 HydrophobicContact CD1-CG1 4.39Å; I38-I94 HydrophobicContact CG1-CD1 3.74Å; I72-I94 HydrophobicContact CG2-CG1 4.29Å; I94-Y96 HydrophobicContact CB-CE2 4Å; I94-Y96 HydrophobicContact CG2-CD1 3.94Å; I94-Y96 HydrophobicContact CG2-CD2 4.11Å; I94-Y96 HydrophobicContact CG2-CE1 3.74Å; I94-Y96 HydrophobicContact CG2-CE2 3.9Å; I94-Y96 HydrophobicContact CG2-CG 4.12Å; I94-L99 HydrophobicContact CG2-CD1 4.23Å
95N82.1Confident82.6Confident2 Ų254.7 Ų54.71%0.01125%0.251CS..  trans-98.497.8169.9-172.8-57.1000109.5F71 K73 R97 L98 L99 L204F71-N95 PolarHBondContact O-N 2.99Å; K73-N95 HydrophobicContact CG-CB 4.46Å; N95-R97 VanDerWaalsContact C-N 3.31Å; N95-R97 PolarHBondContact O-N 3.28Å; N95-R97 PolarHBondContact OD1-N 2.94Å; N95-L98 HydrophobicContact CB-CB 4.31Å; N95-L98 HydrophobicContact CB-CD1 4.28Å; N95-L98 PolarHBondContact O-N 2.9Å; N95-L98 PolarHBondContact OD1-N 3.39Å; N95-L99 WeakPolarHBondContact O-CB 3.41Å; N95-L99 PolarHBondContact O-N 3.26Å; N95-L204 WeakPolarHBondContact ND2-CD1 3.48Å; N95-L204 PolarHBondContact ND2-O 2.69Å; N95-L204 VanDerWaalsContact OD1-CD1 3.28Å; N95-L204 WeakPolarHBondContact OD1-CD1 3.2Å
96Y77.1Confident83.3Confident13 Ų1352.3 Ų52.35%0.05124%0.241CC..Hα-helixtrans-65-30.2-174.6-68.2-80.8000113.6V10 L14 I94 L99 V100 L199 I203V10-Y96 HydrophobicContact CB-CE2 4.31Å; V10-Y96 HydrophobicContact CG1-CD1 4.29Å; V10-Y96 HydrophobicContact CG1-CD2 4.17Å; V10-Y96 HydrophobicContact CG1-CE1 3.78Å; V10-Y96 HydrophobicContact CG1-CE2 3.66Å; V10-Y96 HydrophobicContact CG1-CG 4.47Å; V10-Y96 VanDerWaalsContact CG1-CZ 3.44Å; V10-Y96 HydrophobicContact CG2-CD2 4.16Å; V10-Y96 HydrophobicContact CG2-CE2 3.57Å; L14-Y96 HydrophobicContact CB-CD1 4.24Å; I94-Y96 HydrophobicContact CB-CE2 4Å; I94-Y96 HydrophobicContact CG2-CD1 3.94Å; I94-Y96 HydrophobicContact CG2-CD2 4.11Å; I94-Y96 HydrophobicContact CG2-CE1 3.74Å; I94-Y96 HydrophobicContact CG2-CE2 3.9Å; I94-Y96 HydrophobicContact CG2-CG 4.12Å; Y96-L99 PolarHBondContact O-N 2.87Å; Y96-V100 VanDerWaalsContact O-CG2 3.32Å; Y96-V100 WeakPolarHBondContact O-CG2 3.4Å; Y96-V100 PolarHBondContact O-N 2.84Å; Y96-L199 HydrophobicContact CD2-CD2 4.34Å; Y96-L199 HydrophobicContact CG-CD2 4.26Å; Y96-I203 HydrophobicContact CD2-CG2 4.21Å
97R76.4Confident83.9Confident140 Ų14047.9 Ų47.953%0.52821%0.213SC..Hα-helixtrans-68.6-45.4177.9-172.1175.8-178.21720.6112N95 N101 L204N95-R97 VanDerWaalsContact C-N 3.31Å; N95-R97 PolarHBondContact O-N 3.28Å; N95-R97 PolarHBondContact OD1-N 2.94Å; R97-N101 VanDerWaalsContact O-CG 3.31Å; R97-N101 PolarHBondContact O-N 3.32Å; R97-N101 PolarHBondContact O-ND2 3.06Å; R97-L204 HydrophobicContact CB-CD1 3.24Å; R97-L204 HydrophobicContact CG-CD1 4.03Å
98L82.4Confident84.3Confident62 Ų6247.8 Ų47.833%0.32521%0.211SC..Hα-helixtrans-66.1-41174.7-72.3176.1000110.8N95 V100 N101 V102N95-L98 HydrophobicContact CB-CB 4.31Å; N95-L98 HydrophobicContact CB-CD1 4.28Å; N95-L98 PolarHBondContact O-N 2.9Å; N95-L98 PolarHBondContact OD1-N 3.39Å; L98-V100 PolarHBondContact O-N 2.68Å; L98-N101 PolarHBondContact O-N 3.32Å; L98-V102 WeakPolarHBondContact O-CB 3.23Å; L98-V102 VanDerWaalsContact O-CG2 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 2.96Å
99L84Confident84.7Confident2 Ų242.9 Ų42.91%0.0120%0.196CC..Hα-helixtrans-57.2-50.7177.3-174.6150.3000111.5A18 F71 I94 N95 Y96 N101 V102 V103A18-L99 HydrophobicContact CB-CD1 4.31Å; F71-L99 HydrophobicContact CB-CD1 4.27Å; F71-L99 HydrophobicContact CD1-CB 4.24Å; F71-L99 HydrophobicContact CD1-CD1 4.14Å; F71-L99 HydrophobicContact CD1-CG 3.88Å; F71-L99 HydrophobicContact CE1-CG 4.19Å; F71-L99 HydrophobicContact CG-CD1 4.18Å; F71-L99 HydrophobicContact CG-CG 4.43Å; I94-L99 HydrophobicContact CG2-CD1 4.23Å; N95-L99 WeakPolarHBondContact O-CB 3.41Å; N95-L99 PolarHBondContact O-N 3.26Å; Y96-L99 PolarHBondContact O-N 2.87Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 3.47Å; L99-V102 PolarHBondContact O-N 2.88Å; L99-V103 HydrophobicContact CD2-CG2 4.12Å; L99-V103 HydrophobicContact CG-CG2 4.5Å; L99-V103 WeakPolarHBondContact O-CB 3.4Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 3.37Å
100V83.3Confident84.9Confident16 Ų1644.2 Ų44.210%0.09720%0.203CC..Hα-helixtrans-59.7-45.2178.4172.20000111.1L14 L17 Y96 L98 V103 K104L14-V100 HydrophobicContact CD2-CG2 3.53Å; L17-V100 HydrophobicContact CD2-CG2 4.4Å; Y96-V100 VanDerWaalsContact O-CG2 3.32Å; Y96-V100 WeakPolarHBondContact O-CG2 3.4Å; Y96-V100 PolarHBondContact O-N 2.84Å; L98-V100 PolarHBondContact O-N 2.68Å; V100-V103 PolarHBondContact O-N 3.42Å; V100-K104 HydrophobicContact CG1-CD 4.21Å; V100-K104 HydrophobicContact CG1-CG 4.45Å; V100-K104 WeakPolarHBondContact O-CB 3.4Å; V100-K104 WeakPolarHBondContact O-CG 3.35Å; V100-K104 PolarHBondContact O-N 3.14Å
101N84.4Confident84.9Confident88 Ų8848.6 Ų48.647%0.47122%0.217SC..Hα-helixtrans-64.3-42.5179.7-72.2-19.4000112.7R97 L98 L99 K104 Y105R97-N101 VanDerWaalsContact O-CG 3.31Å; R97-N101 PolarHBondContact O-N 3.32Å; R97-N101 PolarHBondContact O-ND2 3.06Å; L98-N101 PolarHBondContact O-N 3.32Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 3.47Å; N101-K104 PolarHBondContact O-N 3.32Å; N101-Y105 WeakPolarHBondContact O-CB 3.34Å; N101-Y105 PolarHBondContact O-N 3.12Å
102V87.4Confident85Confident23 Ų2354 Ų5414%0.13924%0.237CC..Hα-helixtrans-66.1-41.9177.3171.70000110.7K70 F71 L98 L99 Y105 K106K70-V102 HydrophobicContact CB-CG2 4.25Å; F71-V102 HydrophobicContact CE1-CB 4.21Å; F71-V102 HydrophobicContact CE1-CG1 3.83Å; L98-V102 WeakPolarHBondContact O-CB 3.23Å; L98-V102 VanDerWaalsContact O-CG2 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 2.96Å; L99-V102 PolarHBondContact O-N 2.88Å; V102-Y105 PolarHBondContact O-N 3.06Å; V102-K106 HydrophobicContact CG1-CD 4.14Å; V102-K106 HydrophobicContact CG1-CG 4.35Å; V102-K106 WeakPolarHBondContact O-CB 3.47Å; V102-K106 WeakPolarHBondContact O-CG 3.32Å; V102-K106 PolarHBondContact O-N 2.68Å
103V87.1Confident85Confident7 Ų760.9 Ų60.94%0.04226%0.263CS..Hα-helixtrans-63-46.3176.7172.10000110.4V21 F71 L99 V100 Y105 K106 L107 L191V21-V103 HydrophobicContact CG1-CG2 3.99Å; V21-V103 HydrophobicContact CG2-CG1 4.1Å; V21-V103 HydrophobicContact CG2-CG2 4.13Å; F71-V103 HydrophobicContact CE1-CG2 4.24Å; F71-V103 HydrophobicContact CZ-CG2 4.42Å; L99-V103 HydrophobicContact CD2-CG2 4.12Å; L99-V103 HydrophobicContact CG-CG2 4.5Å; L99-V103 WeakPolarHBondContact O-CB 3.4Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 3.37Å; V100-V103 PolarHBondContact O-N 3.42Å; V103-Y105 PolarHBondContact O-N 3.29Å; V103-K106 PolarHBondContact O-N 3.33Å; V103-L107 HydrophobicContact CG1-CD1 3.86Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.29Å; V103-L107 VanDerWaalsContact O-CG 3.29Å; V103-L107 WeakPolarHBondContact O-CG 3.36Å; V103-L107 PolarHBondContact O-N 2.91Å; V103-L191 HydrophobicContact CG1-CD1 4.19Å; V103-L191 HydrophobicContact CG1-CD2 4.37Å
104K85.9Confident85Confident62 Ų6261.8 Ų61.827%0.2727%0.269SS..Hα-helixtrans-56.8-47.8174-75.4-176.5-178.6-170.20111.7V100 N101 L107 D108 L191 E195V100-K104 HydrophobicContact CG1-CD 4.21Å; V100-K104 HydrophobicContact CG1-CG 4.45Å; V100-K104 WeakPolarHBondContact O-CB 3.4Å; V100-K104 WeakPolarHBondContact O-CG 3.35Å; V100-K104 PolarHBondContact O-N 3.14Å; N101-K104 PolarHBondContact O-N 3.32Å; K104-L107 PolarHBondContact O-N 3.11Å; K104-D108 WeakPolarHBondContact O-CB 3.38Å; K104-D108 PolarHBondContact O-N 3.32Å; K104-L191 HydrophobicContact CG-CD2 3.81Å; K104-E195 VanDerWaalsContact NZ-CD 3.31Å; K104-E195 IonicContact NZ-OE1 2.98Å; K104-E195 PolarHBondContact NZ-OE1 3.4Å
105Y88.8Confident85Confident146 Ų14665 Ų6557%0.57328%0.284SS*.Hα-helixtrans-60.5-48.2178.7174.9-95000112.5N101 V102 V103 D108 H109N101-Y105 WeakPolarHBondContact O-CB 3.34Å; N101-Y105 PolarHBondContact O-N 3.12Å; V102-Y105 PolarHBondContact O-N 3.06Å; V103-Y105 PolarHBondContact O-N 3.29Å; Y105-D108 PolarHBondContact O-N 2.88Å; Y105-H109 AromaticContact CD2-CD2 3.81Å; Y105-H109 AromaticContact CE1-CD2 3.67Å; Y105-H109 AromaticContact CE2-CD2 3.37Å; Y105-H109 WeakPolarHBondContact CE2-CD2 3.47Å; Y105-H109 AromaticContact CE2-NE2 3.22Å; Y105-H109 WeakPolarHBondContact CE2-NE2 3.27Å; Y105-H109 AromaticContact CZ-CD2 3.3Å; Y105-H109 AromaticContact CZ-NE2 3.2Å; Y105-H109 PolarHBondContact O-CD2 3.26Å; Y105-H109 PolarHBondContact O-N 3.32Å; Y105-H109 PolarHBondContact OH-NE2 3.36Å; Y105-H109 VanDerWaalsContact OH-NE2 3.16Å
106K89.8Confident85.2Confident82 Ų8267.8 Ų67.836%0.35730%0.301SS..Hα-helixtrans-65.5-42.1179.8-72.3-176.1-170.2-108.90111.3D69 V102 V103 H109 M110D69-K106 IonicContact OD1-NZ 3.33Å; D69-K106 PolarHBondContact OD1-NZ 2.86Å; V102-K106 HydrophobicContact CG1-CD 4.14Å; V102-K106 HydrophobicContact CG1-CG 4.35Å; V102-K106 WeakPolarHBondContact O-CB 3.47Å; V102-K106 WeakPolarHBondContact O-CG 3.32Å; V102-K106 PolarHBondContact O-N 2.68Å; V103-K106 PolarHBondContact O-N 3.33Å; K106-H109 PolarHBondContact O-N 3.08Å; K106-M110 WeakPolarHBondContact O-CB 3.47Å; K106-M110 VanDerWaalsContact O-CG 3.24Å; K106-M110 WeakPolarHBondContact O-CG 3.32Å; K106-M110 PolarHBondContact O-N 2.91Å
107L85.9Confident85.4Confident5 Ų569.9 Ų69.93%0.02631%0.313CS..Hα-helixtrans-63.6-41.4177.1-72.6177000112.3F25 V103 K104 M110 R111 I184 I187 Y188 L191F25-L107 HydrophobicContact CZ-CD2 4.39Å; V103-L107 HydrophobicContact CG1-CD1 3.86Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.29Å; V103-L107 VanDerWaalsContact O-CG 3.29Å; V103-L107 WeakPolarHBondContact O-CG 3.36Å; V103-L107 PolarHBondContact O-N 2.91Å; K104-L107 PolarHBondContact O-N 3.11Å; L107-M110 PolarHBondContact O-N 2.99Å; L107-R111 WeakPolarHBondContact O-CB 3.44Å; L107-R111 PolarHBondContact O-N 2.96Å; L107-I184 HydrophobicContact CD2-CD1 4.47Å; L107-I184 HydrophobicContact CD2-CG2 3.91Å; L107-I187 HydrophobicContact CD1-CG2 3.94Å; L107-Y188 HydrophobicContact CB-CE1 4.33Å; L107-Y188 HydrophobicContact CD1-CE1 4.15Å; L107-L191 HydrophobicContact CD1-CD2 3.77Å
108D86.1Confident85.7Confident49 Ų4966.3 Ų66.326%0.26230%0.302SS..Hα-helixtrans-63.6-43.4174.6170.979.3000111.7K104 Y105 R111 R112K104-D108 WeakPolarHBondContact O-CB 3.38Å; K104-D108 PolarHBondContact O-N 3.32Å; Y105-D108 PolarHBondContact O-N 2.88Å; D108-R111 PolarHBondContact O-N 3.34Å; D108-R112 VanDerWaalsContact CG-NH2 3.27Å; D108-R112 WeakPolarHBondContact O-CB 3.31Å; D108-R112 WeakPolarHBondContact O-CG 3.3Å; D108-R112 PolarHBondContact O-N 2.8Å; D108-R112 IonicContact OD1-CZ 3.46Å; D108-R112 IonicContact OD1-NE 3.14Å; D108-R112 PolarHBondContact OD1-NE 3.01Å; D108-R112 VanDerWaalsContact OD1-NE 3.11Å; D108-R112 IonicContact OD1-NH2 3.32Å; D108-R112 PolarHBondContact OD1-NH2 3.46Å; D108-R112 IonicContact OD2-CZ 2.76Å; D108-R112 IonicContact OD2-NE 3.7Å; D108-R112 PolarHBondContact OD2-NE 3.11Å; D108-R112 IonicContact OD2-NH1 3.28Å; D108-R112 PolarHBondContact OD2-NH1 3.46Å; D108-R112 IonicContact OD2-NH2 3.42Å; D108-R112 PolarHBondContact OD2-NH2 3.15Å
109H89.3Confident85.5Confident83 Ų8372.3 Ų72.338%0.38432%0.32SS..Hα-helixtrans-64.2-40.6174.2-92.7-85.5000113.2Y105 K106 R112 R113Y105-H109 AromaticContact CD2-CD2 3.81Å; Y105-H109 AromaticContact CE1-CD2 3.67Å; Y105-H109 AromaticContact CE2-CD2 3.37Å; Y105-H109 WeakPolarHBondContact CE2-CD2 3.47Å; Y105-H109 AromaticContact CE2-NE2 3.22Å; Y105-H109 WeakPolarHBondContact CE2-NE2 3.27Å; Y105-H109 AromaticContact CZ-CD2 3.3Å; Y105-H109 AromaticContact CZ-NE2 3.2Å; Y105-H109 PolarHBondContact O-CD2 3.26Å; Y105-H109 PolarHBondContact O-N 3.32Å; Y105-H109 PolarHBondContact OH-NE2 3.36Å; Y105-H109 VanDerWaalsContact OH-NE2 3.16Å; K106-H109 PolarHBondContact O-N 3.08Å; H109-R112 PolarHBondContact O-N 3Å; H109-R113 VanDerWaalsContact O-CB 3.26Å; H109-R113 WeakPolarHBondContact O-CB 3.26Å; H109-R113 PolarHBondContact O-N 2.92Å
110M86.3Confident85.2Confident71 Ų7176.4 Ų76.435%0.3534%0.342SS..Hα-helixtrans-62-46.9175.4-74.6-178.876.800110.8F25 K106 L107 R113 I114 F180F25-M110 HydrophobicContact CE1-CE 4.09Å; F25-M110 HydrophobicContact CE1-SD 4.1Å; K106-M110 WeakPolarHBondContact O-CB 3.47Å; K106-M110 VanDerWaalsContact O-CG 3.24Å; K106-M110 WeakPolarHBondContact O-CG 3.32Å; K106-M110 PolarHBondContact O-N 2.91Å; L107-M110 PolarHBondContact O-N 2.99Å; M110-R113 PolarHBondContact O-N 3.37Å; M110-I114 VanDerWaalsContact O-CG1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.35Å; M110-I114 PolarHBondContact O-N 3.32Å; M110-F180 HydrophobicContact CB-CZ 4.04Å; M110-F180 HydrophobicContact CE-CE2 3.66Å; M110-F180 HydrophobicContact CE-CZ 4.07Å
111R84.9Confident84.6Confident125 Ų12577.8 Ų77.847%0.47235%0.352SS..Hα-helixtrans-57.9-52.3175.5178.7-176.4167.6-161.9-7.2111.4L107 D108 R113 I114 E115L107-R111 WeakPolarHBondContact O-CB 3.44Å; L107-R111 PolarHBondContact O-N 2.96Å; D108-R111 PolarHBondContact O-N 3.34Å; R111-R113 VanDerWaalsContact C-N 3.26Å; R111-R113 PolarHBondContact O-N 3.44Å; R111-I114 PolarHBondContact O-N 2.87Å; R111-E115 HydrophobicContact CG-CG 4.45Å; R111-E115 IonicContact CZ-OE1 2.75Å; R111-E115 VanDerWaalsContact CZ-OE1 3.29Å; R111-E115 IonicContact NE-OE1 2.78Å; R111-E115 PolarHBondContact NE-OE1 3.08Å; R111-E115 IonicContact NH2-OE1 3.16Å; R111-E115 PolarHBondContact NH2-OE1 2.99Å; R111-E115 WeakPolarHBondContact O-CG 3.25Å; R111-E115 PolarHBondContact O-N 3.44Å
112R88.3Confident83.8Confident133 Ų13377.9 Ų77.950%0.50236%0.356SS..Hα-helixtrans-59.7-37.8178.4-72.3177.7-165.1176.86.7111.9D108 H109 T116D108-R112 VanDerWaalsContact CG-NH2 3.27Å; D108-R112 WeakPolarHBondContact O-CB 3.31Å; D108-R112 WeakPolarHBondContact O-CG 3.3Å; D108-R112 PolarHBondContact O-N 2.8Å; D108-R112 IonicContact OD1-CZ 3.46Å; D108-R112 IonicContact OD1-NE 3.14Å; D108-R112 PolarHBondContact OD1-NE 3.01Å; D108-R112 VanDerWaalsContact OD1-NE 3.11Å; D108-R112 IonicContact OD1-NH2 3.32Å; D108-R112 PolarHBondContact OD1-NH2 3.46Å; D108-R112 IonicContact OD2-CZ 2.76Å; D108-R112 IonicContact OD2-NE 3.7Å; D108-R112 PolarHBondContact OD2-NE 3.11Å; D108-R112 IonicContact OD2-NH1 3.28Å; D108-R112 PolarHBondContact OD2-NH1 3.46Å; D108-R112 IonicContact OD2-NH2 3.42Å; D108-R112 PolarHBondContact OD2-NH2 3.15Å; H109-R112 PolarHBondContact O-N 3Å; R112-T116 VanDerWaalsContact O-CB 3.27Å; R112-T116 WeakPolarHBondContact O-CB 3.42Å; R112-T116 PolarHBondContact O-N 3.45Å; R112-T116 PolarHBondContact O-OG1 3.04Å
113R87.1Confident82.7Confident147 Ų14783.1 Ų83.156%0.55538%0.384SS*.Hα-helixtrans-66-43178-177.858.2-176.5172.20.9111.4H109 M110 R111 T116 D117H109-R113 VanDerWaalsContact O-CB 3.26Å; H109-R113 WeakPolarHBondContact O-CB 3.26Å; H109-R113 PolarHBondContact O-N 2.92Å; M110-R113 PolarHBondContact O-N 3.37Å; R111-R113 VanDerWaalsContact C-N 3.26Å; R111-R113 PolarHBondContact O-N 3.44Å; R113-T116 PolarHBondContact O-N 3.3Å; R113-D117 IonicContact CZ-OD1 3.57Å; R113-D117 IonicContact CZ-OD2 2.99Å; R113-D117 IonicContact NE-OD1 3.78Å; R113-D117 PolarHBondContact NE-OD1 3.15Å; R113-D117 VanDerWaalsContact NE-OD1 3.11Å; R113-D117 IonicContact NE-OD2 3.67Å; R113-D117 PolarHBondContact NE-OD2 3.44Å; R113-D117 VanDerWaalsContact NE-OD2 3.14Å; R113-D117 IonicContact NH1-OD1 3.84Å; R113-D117 PolarHBondContact NH1-OD1 3.14Å; R113-D117 IonicContact NH2-OD1 2.76Å; R113-D117 PolarHBondContact NH2-OD1 2.86Å; R113-D117 VanDerWaalsContact NH2-OD1 3.12Å; R113-D117 IonicContact NH2-OD2 3.93Å; R113-D117 VanDerWaalsContact O-CB 3.3Å; R113-D117 WeakPolarHBondContact O-CB 3.35Å; R113-D117 PolarHBondContact O-N 3.37Å
114I84.4Confident81.7Confident36 Ų3690.5 Ų90.519%0.18541%0.411CS..Hα-helixtrans-67-43177.4-67.7166.9000111.2M110 R111 T116 D117 E118 V177 F180M110-I114 VanDerWaalsContact O-CG1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.35Å; M110-I114 PolarHBondContact O-N 3.32Å; R111-I114 PolarHBondContact O-N 2.87Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3.17Å; I114-D117 PolarHBondContact O-N 3.42Å; I114-E118 WeakPolarHBondContact O-CB 3.46Å; I114-E118 PolarHBondContact O-N 2.97Å; I114-V177 HydrophobicContact CG2-CB 4.1Å; I114-V177 HydrophobicContact CG2-CG1 4.02Å; I114-V177 HydrophobicContact CG2-CG2 3.51Å; I114-F180 HydrophobicContact CD1-CB 4.13Å; I114-F180 HydrophobicContact CD1-CD1 3.33Å; I114-F180 HydrophobicContact CD1-CD2 3.55Å; I114-F180 HydrophobicContact CD1-CE1 3.44Å; I114-F180 VanDerWaalsContact CD1-CE1 3.44Å; I114-F180 HydrophobicContact CD1-CE2 3.66Å; I114-F180 HydrophobicContact CD1-CG 3.37Å; I114-F180 HydrophobicContact CD1-CZ 3.58Å
115E84.1Confident80.7Confident74 Ų7490.3 Ų90.335%0.34642%0.421SS..Hα-helixtrans-62.5-40174.5-71.3176178.700111.4R111 R119R111-E115 HydrophobicContact CG-CG 4.45Å; R111-E115 IonicContact CZ-OE1 2.75Å; R111-E115 VanDerWaalsContact CZ-OE1 3.29Å; R111-E115 IonicContact NE-OE1 2.78Å; R111-E115 PolarHBondContact NE-OE1 3.08Å; R111-E115 IonicContact NH2-OE1 3.16Å; R111-E115 PolarHBondContact NH2-OE1 2.99Å; R111-E115 WeakPolarHBondContact O-CG 3.25Å; R111-E115 PolarHBondContact O-N 3.44Å; E115-R119 WeakPolarHBondContact O-CB 3.32Å; E115-R119 VanDerWaalsContact O-CG 3.26Å; E115-R119 WeakPolarHBondContact O-CG 3.46Å; E115-R119 PolarHBondContact O-N 2.71Å
116T85.9Confident80.2Confident60 Ų6084 Ų8437%0.36840%0.398SS..Hα-helixtrans-68.1-44.6176-55.40000110.9R112 R113 I114 E118 R119 D120R112-T116 VanDerWaalsContact O-CB 3.27Å; R112-T116 WeakPolarHBondContact O-CB 3.42Å; R112-T116 PolarHBondContact O-N 3.45Å; R112-T116 PolarHBondContact O-OG1 3.04Å; R113-T116 PolarHBondContact O-N 3.3Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3.17Å; T116-E118 VanDerWaalsContact C-N 3.31Å; T116-E118 PolarHBondContact O-N 3.37Å; T116-R119 PolarHBondContact O-N 2.67Å; T116-D120 WeakPolarHBondContact CG2-OD2 3.32Å; T116-D120 VanDerWaalsContact O-CB 3.32Å; T116-D120 WeakPolarHBondContact O-CB 3.37Å; T116-D120 VanDerWaalsContact O-CG 3.28Å; T116-D120 PolarHBondContact O-N 3.31Å
117D82.4Confident79.9Confident57 Ų5781.3 Ų81.331%0.30539%0.386SS..Hα-helixtrans-65.2-34.6178.7-72-17000111.2R113 I114 S121R113-D117 IonicContact CZ-OD1 3.57Å; R113-D117 IonicContact CZ-OD2 2.99Å; R113-D117 IonicContact NE-OD1 3.78Å; R113-D117 PolarHBondContact NE-OD1 3.15Å; R113-D117 VanDerWaalsContact NE-OD1 3.11Å; R113-D117 IonicContact NE-OD2 3.67Å; R113-D117 PolarHBondContact NE-OD2 3.44Å; R113-D117 VanDerWaalsContact NE-OD2 3.14Å; R113-D117 IonicContact NH1-OD1 3.84Å; R113-D117 PolarHBondContact NH1-OD1 3.14Å; R113-D117 IonicContact NH2-OD1 2.76Å; R113-D117 PolarHBondContact NH2-OD1 2.86Å; R113-D117 VanDerWaalsContact NH2-OD1 3.12Å; R113-D117 IonicContact NH2-OD2 3.93Å; R113-D117 VanDerWaalsContact O-CB 3.3Å; R113-D117 WeakPolarHBondContact O-CB 3.35Å; R113-D117 PolarHBondContact O-N 3.37Å; I114-D117 PolarHBondContact O-N 3.42Å; D117-S121 WeakPolarHBondContact O-CB 3.31Å; D117-S121 PolarHBondContact O-N 3.47Å; D117-S121 PolarHBondContact O-OG 3.27Å
118E81.2Confident79.9Confident64 Ų6484.6 Ų84.630%0.29940%0.4SS..Hα-helixtrans-65.1-46.8171.2-176.2-177.1-170.500111.6I114 T116 S121 T122 V177I114-E118 WeakPolarHBondContact O-CB 3.46Å; I114-E118 PolarHBondContact O-N 2.97Å; T116-E118 VanDerWaalsContact C-N 3.31Å; T116-E118 PolarHBondContact O-N 3.37Å; E118-S121 PolarHBondContact O-N 3.21Å; E118-T122 WeakPolarHBondContact O-CB 3.5Å; E118-T122 VanDerWaalsContact O-CG2 3.29Å; E118-T122 WeakPolarHBondContact O-CG2 3.37Å; E118-T122 PolarHBondContact O-N 3.14Å; E118-T122 PolarHBondContact O-OG1 3.33Å; E118-V177 HydrophobicContact CB-CG2 4.22Å; E118-V177 HydrophobicContact CG-CG2 4.46Å
119R79.6Confident80Confident189 Ų18982.3 Ų82.371%0.71339%0.388SS*.Hα-helixtrans-63.4-44.7177.4-72.5-179.276.4155.95.8111.9E115 T116 T122 N123E115-R119 WeakPolarHBondContact O-CB 3.32Å; E115-R119 VanDerWaalsContact O-CG 3.26Å; E115-R119 WeakPolarHBondContact O-CG 3.46Å; E115-R119 PolarHBondContact O-N 2.71Å; T116-R119 PolarHBondContact O-N 2.67Å; R119-T122 PolarHBondContact O-N 3.12Å; R119-T122 PolarHBondContact O-OG1 2.98Å; R119-T122 VanDerWaalsContact O-OG1 3.07Å; R119-N123 WeakPolarHBondContact O-CB 3.45Å; R119-N123 PolarHBondContact O-N 3Å
120D77.2Confident79.9Confident87 Ų8780.9 Ų80.947%0.46539%0.386SS..Hα-helixtrans-70.9-34.6-179.3-70.8-10.8000111.4T116 R124T116-D120 WeakPolarHBondContact CG2-OD2 3.32Å; T116-D120 VanDerWaalsContact O-CB 3.32Å; T116-D120 WeakPolarHBondContact O-CB 3.37Å; T116-D120 VanDerWaalsContact O-CG 3.28Å; T116-D120 PolarHBondContact O-N 3.31Å; D120-R124 WeakPolarHBondContact O-CB 3.3Å; D120-R124 PolarHBondContact O-N 3.48Å
121S71.1Confident79.9Confident45 Ų4582.7 Ų82.732%0.31540%0.396SS..Hα-helixtrans-72.8-32.4175.8-59.40000112.6D117 E118 P169D117-S121 WeakPolarHBondContact O-CB 3.31Å; D117-S121 PolarHBondContact O-N 3.47Å; D117-S121 PolarHBondContact O-OG 3.27Å; E118-S121 PolarHBondContact O-N 3.21Å; S121-P169 WeakPolarHBondContact O-CA 3.44Å; S121-P169 VanDerWaalsContact O-CB 3.29Å; S121-P169 WeakPolarHBondContact O-CB 3.3Å; S121-P169 WeakPolarHBondContact O-CD 3.24Å
122T67.3Low80Confident90 Ų9079 Ų7955%0.55239%0.389SS*.Hα-helixtrans-80.3-23.8177.350.70000113E118 R119 P169E118-T122 WeakPolarHBondContact O-CB 3.5Å; E118-T122 VanDerWaalsContact O-CG2 3.29Å; E118-T122 WeakPolarHBondContact O-CG2 3.37Å; E118-T122 PolarHBondContact O-N 3.14Å; E118-T122 PolarHBondContact O-OG1 3.33Å; R119-T122 PolarHBondContact O-N 3.12Å; R119-T122 PolarHBondContact O-OG1 2.98Å; R119-T122 VanDerWaalsContact O-OG1 3.07Å; T122-P169 HydrophobicContact CG2-CB 4.22Å
123N62.9Low79.8Confident134 Ų13479.2 Ų79.272%0.71739%0.394SS*.SBendtrans-102.911.8-176.3-158.524.4000114.1R119R119-N123 WeakPolarHBondContact O-CB 3.45Å; R119-N123 PolarHBondContact O-N 3Å
124R67.5Low79.7Confident161 Ų16173.8 Ų73.861%0.60838%0.378SS*.  trans-118.370-176.2-162.3152.880.4146.25.6113.4D120 S126 A167D120-R124 WeakPolarHBondContact O-CB 3.3Å; D120-R124 PolarHBondContact O-N 3.48Å; R124-S126 PolarHBondContact O-N 2.89Å; R124-A167 HydrophobicContact CG-CB 4.41Å; R124-A167 CarbonylContact O-C 3.59Å; R124-A167 VanDerWaalsContact O-CB 3.27Å; R124-A167 WeakPolarHBondContact O-CB 3.39Å
125A65.6Low79.7Confident59 Ų5976 Ų7649%0.48839%0.394SS..  trans-74.5113.4158.300000108.4
126S77.3Confident79.8Confident12 Ų1273.2 Ų73.28%0.08438%0.38CS..EExtended strand (participates in β ladder)trans-127.7140.717455.60000111.3R124 F136 D164 A167R124-S126 PolarHBondContact O-N 2.89Å; S126-F136 CarbonylContact C-O 3.49Å; S126-F136 VanDerWaalsContact CA-O 3.27Å; S126-F136 WeakPolarHBondContact CA-O 3.48Å; S126-F136 WeakPolarHBondContact CB-O 3.49Å; S126-D164 VanDerWaalsContact O-CB 3.25Å; S126-D164 WeakPolarHBondContact O-CB 3.26Å; S126-D164 PolarHBondContact O-N 3.19Å; S126-A167 WeakPolarHBondContact OG-CB 3.28Å
127F82.8Confident79.7Confident27 Ų2773.6 Ų73.612%0.11838%0.383CS..EExtended strand (participates in β ladder)trans-96.2138.9172.6-58.8-81.1000108.8T135 F136 A141 V161 E162 E163F127-T135 CarbonylContact O-C 3.37Å; F127-T135 WeakPolarHBondContact O-CA 3.36Å; F127-F136 HydrophobicContact CB-CB 4.5Å; F127-F136 PolarHBondContact N-O 3.37Å; F127-F136 PolarHBondContact O-N 3.34Å; F127-A141 HydrophobicContact CE2-CB 4.33Å; F127-V161 HydrophobicContact CB-CB 4.22Å; F127-V161 HydrophobicContact CB-CG2 3.99Å; F127-V161 HydrophobicContact CG-CG2 4.43Å; F127-E162 CarbonylContact C-O 3.54Å; F127-E162 WeakPolarHBondContact CA-O 3.43Å; F127-E163 HydrophobicContact CD1-CG 3.88Å; F127-E163 HydrophobicContact CE1-CG 3.63Å
128K87.2Confident79.7Confident74 Ų7474.9 Ų74.932%0.32239%0.39SS..EExtended strand (participates in β ladder)trans-126.8129.1-179.1-172.4175.1178.5-177.80109.9S134 E162 D164K128-S134 WeakPolarHBondContact CA-O 3.48Å; K128-E162 PolarHBondContact N-O 3.27Å; K128-E162 PolarHBondContact O-N 3.33Å; K128-D164 HydrophobicContact CB-CB 4.13Å
129C87.9Confident79.9Confident0 Ų078.3 Ų78.30%041%0.409CS..  trans-78.4129.6173.6-175.80000110.3I131 C132 F133 S134 C154 C157 V161C129-I131 PolarHBondContact O-N 3.45Å; C129-C132 WeakPolarHBondContact CB-SG 3.34Å; C129-C132 VanDerWaalsContact SG-SG 3.62Å; C129-F133 VanDerWaalsContact O-CA 3.23Å; C129-F133 WeakPolarHBondContact O-CA 3.22Å; C129-F133 PolarHBondContact O-N 2.97Å; C129-S134 PolarHBondContact N-O 3.42Å; C129-C154 HydrophobicContact CB-CB 4.14Å; C129-C157 PolarHBondContact SG-SG 3.19Å; C129-V161 HydrophobicContact CB-CG1 4.12Å
130P86.5Confident80.1Confident54 Ų5472.8 Ų72.835%0.35139%0.392SS..THydrogen-bonded Turntrans-70.7-16.8179.426.6-34000113.9E160P130-E160 WeakPolarHBondContact CD-O 3.44Å
131I86.6Confident80.3Confident109 Ų10969.5 Ų69.556%0.55938%0.376SS*.THydrogen-bonded Turntrans-98.3-50.4-174.6-58.1-169.6000112.2C129 T159C129-I131 PolarHBondContact O-N 3.45Å; I131-T159 HydrophobicContact CD1-CG2 3.57Å; I131-T159 WeakPolarHBondContact CD1-OG1 3.4Å; I131-T159 HydrophobicContact CG1-CG2 3.99Å
132C87.9Confident80.9Confident46 Ų4674.3 Ų74.331%0.31140%0.398SS..THydrogen-bonded Turntrans-97-4.3-178.8670000113.6C129 S134 C154C129-C132 WeakPolarHBondContact CB-SG 3.34Å; C129-C132 VanDerWaalsContact SG-SG 3.62Å; C132-S134 PolarHBondContact O-N 2.9Å; C132-S134 PolarHBondContact SG-OG 2.85Å; C132-C154 PolarHBondContact SG-SG 3.27Å
133F83.6Confident81.6Confident138 Ų13877.4 Ų77.461%0.60541%0.407SS*.  trans55.414.3-177.2-61.1-78.1000115.1C129 T135C129-F133 VanDerWaalsContact O-CA 3.23Å; C129-F133 WeakPolarHBondContact O-CA 3.22Å; C129-F133 PolarHBondContact O-N 2.97Å; F133-T135 PolarHBondContact O-N 3.08Å
134S83.9Confident82.6Confident34 Ų3471.2 Ų71.224%0.23837%0.373CS..  trans-65.3130172.5-56.70000109.4K128 C129 C132K128-S134 WeakPolarHBondContact CA-O 3.48Å; C129-S134 PolarHBondContact N-O 3.42Å; C132-S134 PolarHBondContact O-N 2.9Å; C132-S134 PolarHBondContact SG-OG 2.85Å
135T85.6Confident83.4Confident82 Ų8268.1 Ų68.150%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-102.1122.1177.4-43.80000107.7F127 F133F127-T135 CarbonylContact O-C 3.37Å; F127-T135 WeakPolarHBondContact O-CA 3.36Å; F133-T135 PolarHBondContact O-N 3.08Å
136F84.9Confident84.5Confident16 Ų1667.4 Ų67.47%0.0735%0.353CS..EExtended strand (participates in β ladder)trans-111.3145.5-178.8-59.1-78.9000110.1S126 F127 E140 L144 C154 F156 V161S126-F136 CarbonylContact C-O 3.49Å; S126-F136 VanDerWaalsContact CA-O 3.27Å; S126-F136 WeakPolarHBondContact CA-O 3.48Å; S126-F136 WeakPolarHBondContact CB-O 3.49Å; F127-F136 HydrophobicContact CB-CB 4.5Å; F127-F136 PolarHBondContact N-O 3.37Å; F127-F136 PolarHBondContact O-N 3.34Å; F136-E140 WeakPolarHBondContact CA-OE2 3.34Å; F136-E140 WeakPolarHBondContact CD1-OE2 3.24Å; F136-L144 HydrophobicContact CB-CD1 3.53Å; F136-L144 HydrophobicContact CD1-CD1 4.16Å; F136-L144 HydrophobicContact CD1-CD2 4.14Å; F136-L144 HydrophobicContact CD2-CD1 4.09Å; F136-L144 HydrophobicContact CD2-CD2 4.24Å; F136-L144 HydrophobicContact CE1-CD2 4.17Å; F136-L144 HydrophobicContact CE2-CD2 4.27Å; F136-L144 HydrophobicContact CG-CD1 3.67Å; F136-L144 HydrophobicContact CG-CD2 4.18Å; F136-L144 HydrophobicContact CZ-CD2 4.23Å; F136-C154 HydrophobicContact CE2-CB 4.33Å; F136-F156 HydrophobicContact CZ-CD2 4.33Å; F136-F156 HydrophobicContact CZ-CE2 4.41Å; F136-V161 HydrophobicContact CD2-CG1 4.24Å; F136-V161 HydrophobicContact CE2-CG1 4.23Å
137T85.6Confident84.8Confident67 Ų6772 Ų7241%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-91.6163.7178.356.20000111.2L139 E140T137-L139 PolarHBondContact O-N 3.08Å; T137-E140 PolarHBondContact N-OE2 3.23Å; T137-E140 PolarHBondContact O-N 3.16Å
138D82.1Confident85Confident85 Ų8581.9 Ų81.946%0.45542%0.419SS..G310 helixtrans-55.8-31.4173.962-21.4000113.6E140 A141D138-E140 PolarHBondContact O-N 3.26Å; D138-A141 WeakPolarHBondContact O-CB 3.06Å; D138-A141 PolarHBondContact O-N 2.84Å; D138-A141 VanDerWaalsContact O-N 3.15Å
139L83.8Confident84.7Confident136 Ų13681.5 Ų81.571%0.71242%0.423SS*.G310 helixtrans-59.8-31.4173.5-87.675.6000113.1T137 A141T137-L139 PolarHBondContact O-N 3.08Å; L139-A141 VanDerWaalsContact C-N 3.34Å
140E84.8Confident84.6Confident73 Ų7383.8 Ų83.834%0.34145%0.446SS..G310 helixtrans-88.8-4.8-178-64.7170.3154.400112.2F136 T137 D138 N142 Q143 L144F136-E140 WeakPolarHBondContact CA-OE2 3.34Å; F136-E140 WeakPolarHBondContact CD1-OE2 3.24Å; T137-E140 PolarHBondContact N-OE2 3.23Å; T137-E140 PolarHBondContact O-N 3.16Å; D138-E140 PolarHBondContact O-N 3.26Å; E140-N142 PolarHBondContact O-N 3.3Å; E140-Q143 WeakPolarHBondContact O-CB 3.2Å; E140-Q143 PolarHBondContact O-N 3.33Å; E140-L144 HydrophobicContact CB-CD1 4.41Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 2.93Å; E140-L144 VanDerWaalsContact O-N 3.11Å
141A82.1Confident84.6Confident17 Ų1783.1 Ų83.114%0.1444%0.441CS..Hα-helixtrans-57.3-34.5-178.800000112.9F127 D138 L139 Q143 L144 F145 F152F127-A141 HydrophobicContact CE2-CB 4.33Å; D138-A141 WeakPolarHBondContact O-CB 3.06Å; D138-A141 PolarHBondContact O-N 2.84Å; D138-A141 VanDerWaalsContact O-N 3.15Å; L139-A141 VanDerWaalsContact C-N 3.34Å; A141-Q143 VanDerWaalsContact C-N 3.27Å; A141-Q143 PolarHBondContact O-N 3.49Å; A141-L144 PolarHBondContact O-N 2.56Å; A141-F145 WeakPolarHBondContact O-CB 3.42Å; A141-F145 PolarHBondContact O-N 3.32Å; A141-F152 HydrophobicContact CB-CE1 4.02Å
142N82.5Confident84.7Confident146 Ų14681.3 Ų81.378%0.78143%0.429SS*.Hα-helixtrans-65.5-29.4175.7-70.9-53.2000113.1E140E140-N142 PolarHBondContact O-N 3.3Å
143Q82.6Confident84.6Confident155 Ų15583.4 Ų83.472%0.72443%0.431SS*.Hα-helixtrans-85-25.6178.7-6018017.700111.7E140 A141E140-Q143 WeakPolarHBondContact O-CB 3.2Å; E140-Q143 PolarHBondContact O-N 3.33Å; A141-Q143 VanDerWaalsContact C-N 3.27Å; A141-Q143 PolarHBondContact O-N 3.49Å
144L84.1Confident84.8Confident4 Ų477 Ų772%0.02140%0.403CS..Hα-helixtrans-84.4-17.9178.4-62.6167.1000112.7F136 E140 A141 D146 F152 R153 T155F136-L144 HydrophobicContact CB-CD1 3.53Å; F136-L144 HydrophobicContact CD1-CD1 4.16Å; F136-L144 HydrophobicContact CD1-CD2 4.14Å; F136-L144 HydrophobicContact CD2-CD1 4.09Å; F136-L144 HydrophobicContact CD2-CD2 4.24Å; F136-L144 HydrophobicContact CE1-CD2 4.17Å; F136-L144 HydrophobicContact CE2-CD2 4.27Å; F136-L144 HydrophobicContact CG-CD1 3.67Å; F136-L144 HydrophobicContact CG-CD2 4.18Å; F136-L144 HydrophobicContact CZ-CD2 4.23Å; E140-L144 HydrophobicContact CB-CD1 4.41Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 2.93Å; E140-L144 VanDerWaalsContact O-N 3.11Å; A141-L144 PolarHBondContact O-N 2.56Å; L144-D146 PolarHBondContact O-N 2.8Å; L144-F152 HydrophobicContact CB-CB 4.41Å; L144-F152 HydrophobicContact CB-CD1 4.2Å; L144-F152 CarbonylContact O-C 3.46Å; L144-F152 WeakPolarHBondContact O-CA 3.45Å; L144-R153 WeakPolarHBondContact CD2-O 3.49Å; L144-R153 PolarHBondContact O-N 2.92Å; L144-T155 HydrophobicContact CD2-CG2 3.89Å
145F85.1Confident84.9Confident96 Ų9679 Ų7942%0.42141%0.414SS..BIsolated β-bridgetrans-77.1121.3-177.1-175.5-103.8000112.2A141 P147 F152A141-F145 WeakPolarHBondContact O-CB 3.42Å; A141-F145 PolarHBondContact O-N 3.32Å; F145-P147 HydrophobicContact CE1-CB 4.11Å; F145-P147 WeakPolarHBondContact O-CD 3.27Å; F145-F152 HydrophobicContact CB-CD1 4.05Å; F145-F152 HydrophobicContact CB-CE1 3.97Å; F145-F152 HydrophobicContact CD2-CD1 4.27Å; F145-F152 HydrophobicContact CD2-CE1 4.01Å; F145-F152 HydrophobicContact CD2-CZ 4.44Å; F145-F152 HydrophobicContact CG-CE1 4.45Å
146D86.8Confident84.8Confident45 Ų4582.8 Ų82.824%0.24142%0.424CS..  trans-97.7109.9171.9175.416.1000111L144 R148 T149 G150 T151L144-D146 PolarHBondContact O-N 2.8Å; D146-R148 PolarHBondContact O-N 3.41Å; D146-R148 VanDerWaalsContact O-N 3.1Å; D146-R148 PolarHBondContact OD1-N 3.04Å; D146-T149 WeakPolarHBondContact CB-OG1 3.22Å; D146-T149 PolarHBondContact O-N 3.17Å; D146-T149 WeakPolarHBondContact OD2-CG2 3.5Å; D146-T149 PolarHBondContact OD2-OG1 3.48Å; D146-G150 PolarHBondContact O-N 3.13Å; D146-T151 PolarHBondContact N-O 2.8Å
147P85Confident84.9Confident108 Ų10884 Ų8470%0.70143%0.434SS*.THydrogen-bonded Turntrans-66.3-12.2-177.322.2-29.5000114.7F145F145-P147 HydrophobicContact CE1-CB 4.11Å; F145-P147 WeakPolarHBondContact O-CD 3.27Å
148R85.8Confident84.7Confident234 Ų23487.5 Ų87.588%0.88345%0.445SS*.THydrogen-bonded Turntrans-82.6-33.7174.7-65.9-174.3-162.7174.57.7113.2D146D146-R148 PolarHBondContact O-N 3.41Å; D146-R148 VanDerWaalsContact O-N 3.1Å; D146-R148 PolarHBondContact OD1-N 3.04Å
149T82.3Confident84.9Confident67 Ų6785.3 Ų85.341%0.41144%0.436SS..THydrogen-bonded Turntrans-105.3-19.5-174.652.40000112.5D146 T151D146-T149 WeakPolarHBondContact CB-OG1 3.22Å; D146-T149 PolarHBondContact O-N 3.17Å; D146-T149 WeakPolarHBondContact OD2-CG2 3.5Å; D146-T149 PolarHBondContact OD2-OG1 3.48Å; T149-T151 PolarHBondContact O-N 3.05Å
150G84.9Confident85Confident48 Ų4884.4 Ų84.450%0.49543%0.428SS..  trans71.710.9179.600000113.7D146D146-G150 PolarHBondContact O-N 3.13Å
151T87.9Confident85.1Confident40 Ų4081.5 Ų81.525%0.24542%0.415CS..SBendtrans-115.7157.6179.460.60000111.2D146 T149D146-T151 PolarHBondContact N-O 2.8Å; T149-T151 PolarHBondContact O-N 3.05Å
152F87.3Confident85.1Confident70 Ų7086.6 Ų86.631%0.30744%0.435SS..BIsolated β-bridgetrans-83.1126.8174.5-62.8-74.5000109.7A141 L144 F145 E160 V161A141-F152 HydrophobicContact CB-CE1 4.02Å; L144-F152 HydrophobicContact CB-CB 4.41Å; L144-F152 HydrophobicContact CB-CD1 4.2Å; L144-F152 CarbonylContact O-C 3.46Å; L144-F152 WeakPolarHBondContact O-CA 3.45Å; F145-F152 HydrophobicContact CB-CD1 4.05Å; F145-F152 HydrophobicContact CB-CE1 3.97Å; F145-F152 HydrophobicContact CD2-CD1 4.27Å; F145-F152 HydrophobicContact CD2-CE1 4.01Å; F145-F152 HydrophobicContact CD2-CZ 4.44Å; F145-F152 HydrophobicContact CG-CE1 4.45Å; F152-E160 VanDerWaalsContact O-CA 3.32Å; F152-E160 WeakPolarHBondContact O-CA 3.48Å; F152-V161 HydrophobicContact CB-CG2 3.28Å; F152-V161 HydrophobicContact CG-CG2 4.41Å; F152-V161 PolarHBondContact O-N 3.39Å
153R86.7Confident84.8Confident91 Ų9185.3 Ų85.334%0.34343%0.425SS..BIsolated β-bridgetrans-120.3139.6-178.2-71-179.3168.4-108.51.8110.9L144 E158 T159L144-R153 WeakPolarHBondContact CD2-O 3.49Å; L144-R153 PolarHBondContact O-N 2.92Å; R153-E158 PolarHBondContact NH1-O 2.86Å; R153-T159 WeakPolarHBondContact CA-O 3.28Å
154C87.8Confident84.4Confident3 Ų379.2 Ų79.22%0.0240%0.397CS..  trans-64.4140.4176.8179.50000111.5C129 C132 F136 F156 C157 E158 T159 V161C129-C154 HydrophobicContact CB-CB 4.14Å; C132-C154 PolarHBondContact SG-SG 3.27Å; F136-C154 HydrophobicContact CE2-CB 4.33Å; C154-F156 VanDerWaalsContact C-N 3.27Å; C154-F156 PolarHBondContact O-N 3.49Å; C154-F156 PolarHBondContact SG-N 3.35Å; C154-C157 VanDerWaalsContact CB-SG 3.52Å; C154-C157 PolarHBondContact SG-SG 3.18Å; C154-E158 VanDerWaalsContact O-CA 3.25Å; C154-E158 WeakPolarHBondContact O-CA 3.31Å; C154-E158 PolarHBondContact O-N 3.15Å; C154-T159 PolarHBondContact N-O 3.49Å; C154-V161 HydrophobicContact CB-CG1 3.82Å
155T85.3Confident83.4Confident76 Ų7687.1 Ų87.147%0.46643%0.434SS..THydrogen-bonded Turntrans-65.5-24178.450.50000114.5L144L144-T155 HydrophobicContact CD2-CG2 3.89Å
156F84.4Confident82.2Confident161 Ų16186.2 Ų86.271%0.70644%0.44SS*.THydrogen-bonded Turntrans-101.7-33-174-60.1-74.4000114.2F136 C154F136-F156 HydrophobicContact CZ-CD2 4.33Å; F136-F156 HydrophobicContact CZ-CE2 4.41Å; C154-F156 VanDerWaalsContact C-N 3.27Å; C154-F156 PolarHBondContact O-N 3.49Å; C154-F156 PolarHBondContact SG-N 3.35Å
157C86.4Confident80.7Confident43 Ų4384.4 Ų84.429%0.29143%0.431SS..THydrogen-bonded Turntrans-125.94.3-173.957.90000113.8C129 C154 T159C129-C157 PolarHBondContact SG-SG 3.19Å; C154-C157 VanDerWaalsContact CB-SG 3.52Å; C154-C157 PolarHBondContact SG-SG 3.18Å; C157-T159 PolarHBondContact O-N 3.25Å; C157-T159 PolarHBondContact O-OG1 2.94Å
158E82.3Confident79.2Confident139 Ų13984 Ų8465%0.6542%0.421SS*.  trans51.314.9-179-63.2-177.3173.200114.8R153 C154R153-E158 PolarHBondContact NH1-O 2.86Å; C154-E158 VanDerWaalsContact O-CA 3.25Å; C154-E158 WeakPolarHBondContact O-CA 3.31Å; C154-E158 PolarHBondContact O-N 3.15Å
159T84.8Confident77.7Confident40 Ų4076 Ų7625%0.24540%0.399CS..PPolyproline II helixtrans-82.8147.1-179-51.80000109.2I131 R153 C154 C157 V161I131-T159 HydrophobicContact CD1-CG2 3.57Å; I131-T159 WeakPolarHBondContact CD1-OG1 3.4Å; I131-T159 HydrophobicContact CG1-CG2 3.99Å; R153-T159 WeakPolarHBondContact CA-O 3.28Å; C154-T159 PolarHBondContact N-O 3.49Å; C157-T159 PolarHBondContact O-N 3.25Å; C157-T159 PolarHBondContact O-OG1 2.94Å; T159-V161 PolarHBondContact O-N 3.3Å
160E86.4Confident76.7Confident117 Ų11779.1 Ų79.155%0.54741%0.407SS..BIsolated β-bridgetrans-54.5127.8174-169.1164.9-171.900110.5P130 F152P130-E160 WeakPolarHBondContact CD-O 3.44Å; F152-E160 VanDerWaalsContact O-CA 3.32Å; F152-E160 WeakPolarHBondContact O-CA 3.48Å
161V86.8Confident75.5Confident11 Ų1186 Ų867%0.06742%0.423CS..PPolyproline II helixtrans-89.4136.1176.1-62.80000109.1F127 C129 F136 F152 C154 T159F127-V161 HydrophobicContact CB-CB 4.22Å; F127-V161 HydrophobicContact CB-CG2 3.99Å; F127-V161 HydrophobicContact CG-CG2 4.43Å; C129-V161 HydrophobicContact CB-CG1 4.12Å; F136-V161 HydrophobicContact CD2-CG1 4.24Å; F136-V161 HydrophobicContact CE2-CG1 4.23Å; F152-V161 HydrophobicContact CB-CG2 3.28Å; F152-V161 HydrophobicContact CG-CG2 4.41Å; F152-V161 PolarHBondContact O-N 3.39Å; C154-V161 HydrophobicContact CB-CG1 3.82Å; T159-V161 PolarHBondContact O-N 3.3Å
162E82.3Confident74.3Confident124 Ų12489.3 Ų89.358%0.57944%0.44SS*.EExtended strand (participates in β ladder)trans-98.9153.1179.5-66.3176.6177.100109.7F127 K128 D164F127-E162 CarbonylContact C-O 3.54Å; F127-E162 WeakPolarHBondContact CA-O 3.43Å; K128-E162 PolarHBondContact N-O 3.27Å; K128-E162 PolarHBondContact O-N 3.33Å; E162-D164 PolarHBondContact O-N 3.01Å
163E75.8Confident73.2Confident119 Ų11987.2 Ų87.256%0.55644%0.435SS*.EExtended strand (participates in β ladder)trans-67.5130170.8-70.3179.2179.800109.3F127 E165 M168F127-E163 HydrophobicContact CD1-CG 3.88Å; F127-E163 HydrophobicContact CE1-CG 3.63Å; E163-E165 PolarHBondContact O-N 3.08Å; E163-M168 WeakPolarHBondContact OE2-CE 3.33Å
164D74.3Confident72.5Confident28 Ų2892.1 Ų92.115%0.1545%0.454CS..  trans-73.297.8175.6-167-13.1000109.1S126 K128 E162 S166 A167 M168S126-D164 VanDerWaalsContact O-CB 3.25Å; S126-D164 WeakPolarHBondContact O-CB 3.26Å; S126-D164 PolarHBondContact O-N 3.19Å; K128-D164 HydrophobicContact CB-CB 4.13Å; E162-D164 PolarHBondContact O-N 3.01Å; D164-S166 PolarHBondContact O-N 3.29Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.1Å; D164-S166 PolarHBondContact OD1-OG 3.21Å; D164-S166 PolarHBondContact OD2-OG 3.38Å; D164-A167 HydrophobicContact CB-CB 3.97Å; D164-A167 WeakPolarHBondContact O-CB 3.4Å; D164-A167 PolarHBondContact O-N 3.12Å; D164-M168 PolarHBondContact O-N 2.85Å
165E63.9Low72.1Confident170 Ų17095 Ų9579%0.79447%0.471SS*.THydrogen-bonded Turntrans-56.3-19.5174.4-73-162.6152.900112.7E163 A167E163-E165 PolarHBondContact O-N 3.08Å; E165-A167 VanDerWaalsContact C-N 3.34Å
166S59.3Low71.6Confident77 Ų7796.7 Ų96.754%0.53848%0.477SS..THydrogen-bonded Turntrans-77.4-2117584.90000113.6D164D164-S166 PolarHBondContact O-N 3.29Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.1Å; D164-S166 PolarHBondContact OD1-OG 3.21Å; D164-S166 PolarHBondContact OD2-OG 3.38Å
167A55.6Low71.3Confident6 Ų690 Ų905%0.0545%0.449CS..THydrogen-bonded Turntrans-97.8-19.3-178.300000112.8R124 S126 D164 E165R124-A167 HydrophobicContact CG-CB 4.41Å; R124-A167 CarbonylContact O-C 3.59Å; R124-A167 VanDerWaalsContact O-CB 3.27Å; R124-A167 WeakPolarHBondContact O-CB 3.39Å; S126-A167 WeakPolarHBondContact OG-CB 3.28Å; D164-A167 HydrophobicContact CB-CB 3.97Å; D164-A167 WeakPolarHBondContact O-CB 3.4Å; D164-A167 PolarHBondContact O-N 3.12Å; E165-A167 VanDerWaalsContact C-N 3.34Å
168M52.7Low71.1Confident99 Ų9990.3 Ų90.349%0.48846%0.455SS..SBendtrans-57.1138.1168.8-85.9-162-176.400110.6E163 D164 K170E163-M168 WeakPolarHBondContact OE2-CE 3.33Å; D164-M168 PolarHBondContact O-N 2.85Å; M168-K170 VanDerWaalsContact C-N 3.35Å; M168-K170 PolarHBondContact O-N 3.32Å
169P55.6Low71.1Confident67 Ų6791 Ų9144%0.43545%0.452SS..  trans-58.9100.8173.415.7-23.8000108.7S121 T122 K171S121-P169 WeakPolarHBondContact O-CA 3.44Å; S121-P169 VanDerWaalsContact O-CB 3.29Å; S121-P169 WeakPolarHBondContact O-CB 3.3Å; S121-P169 WeakPolarHBondContact O-CD 3.24Å; T122-P169 HydrophobicContact CG2-CB 4.22Å; P169-K171 PolarHBondContact O-N 3.43Å
170K60Low71Confident132 Ų13290.4 Ų90.457%0.57445%0.445SS*.  trans-55.5127.6171.9-63.7179.1-176.8178.10106M168 D172 A173M168-K170 VanDerWaalsContact C-N 3.35Å; M168-K170 PolarHBondContact O-N 3.32Å; K170-D172 HydrophobicContact CB-CB 4.01Å; K170-D172 PolarHBondContact O-N 3.45Å; K170-A173 WeakPolarHBondContact O-CB 3.3Å; K170-A173 PolarHBondContact O-N 3.29Å
171K59.2Low70.8Confident193 Ų19388.8 Ų88.884%0.83944%0.441SS*.Hα-helixtrans-50.1-20.1170.4-70.5176.8177.4172.40112.4P169 T175P169-K171 PolarHBondContact O-N 3.43Å; K171-T175 PolarHBondContact O-OG1 3.15Å; K171-T175 VanDerWaalsContact O-OG1 3.09Å
172D63.1Low70.7Confident110 Ų11095.1 Ų95.159%0.58847%0.469SS*.Hα-helixtrans-64.3-36.5173.8-153.825.8000113.8K170 R174 T175 L176K170-D172 HydrophobicContact CB-CB 4.01Å; K170-D172 PolarHBondContact O-N 3.45Å; D172-R174 PolarHBondContact O-N 3.03Å; D172-T175 PolarHBondContact O-N 3.49Å; D172-L176 VanDerWaalsContact O-CB 3.31Å; D172-L176 WeakPolarHBondContact O-CB 3.5Å; D172-L176 PolarHBondContact O-N 2.82Å
173A65.4Low70.8Confident25 Ų2596 Ų9621%0.20747%0.474CS..Hα-helixtrans-62.3-46.6-177.400000112.1K170 T175 L176 V177K170-A173 WeakPolarHBondContact O-CB 3.3Å; K170-A173 PolarHBondContact O-N 3.29Å; A173-T175 VanDerWaalsContact C-N 3.31Å; A173-T175 PolarHBondContact O-N 2.99Å; A173-L176 WeakPolarHBondContact O-CB 3.48Å; A173-L176 PolarHBondContact O-N 2.93Å; A173-V177 VanDerWaalsContact O-CG2 3.29Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 3.43Å; A173-V177 VanDerWaalsContact O-N 3.1Å
174R71.3Confident71.3Confident195 Ų19590.8 Ų90.874%0.73645%0.449SS*.Hα-helixtrans-64.3-36.3176.4-176.8174171.3128.1-3112.4D172 A178D172-R174 PolarHBondContact O-N 3.03Å; R174-A178 PolarHBondContact O-N 3.5Å
175T79.8Confident71.7Confident63 Ų6394 Ų9439%0.38746%0.463SS..Hα-helixtrans-71.4-34.8177.5-53.40000111.2K171 D172 A173 A178 R179K171-T175 PolarHBondContact O-OG1 3.15Å; K171-T175 VanDerWaalsContact O-OG1 3.09Å; D172-T175 PolarHBondContact O-N 3.49Å; A173-T175 VanDerWaalsContact C-N 3.31Å; A173-T175 PolarHBondContact O-N 2.99Å; T175-A178 PolarHBondContact O-N 3.45Å; T175-R179 WeakPolarHBondContact O-CG 3.3Å; T175-R179 PolarHBondContact O-N 3.42Å
176L74.2Confident72.7Confident111 Ų11190 Ų9058%0.58145%0.452SS*.Hα-helixtrans-66.1-41.5176.9-171.766.5000111.8D172 A173 R179 F180D172-L176 VanDerWaalsContact O-CB 3.31Å; D172-L176 WeakPolarHBondContact O-CB 3.5Å; D172-L176 PolarHBondContact O-N 2.82Å; A173-L176 WeakPolarHBondContact O-CB 3.48Å; A173-L176 PolarHBondContact O-N 2.93Å; L176-R179 PolarHBondContact O-N 3.03Å; L176-F180 WeakPolarHBondContact O-CB 3.47Å; L176-F180 PolarHBondContact O-N 3.45Å
177V78.9Confident73.8Confident21 Ų2187.2 Ų87.213%0.12743%0.431CS..Hα-helixtrans-61.1-46.5174.6-176.10000111.1I114 E118 A173 R179 F180 N181I114-V177 HydrophobicContact CG2-CB 4.1Å; I114-V177 HydrophobicContact CG2-CG1 4.02Å; I114-V177 HydrophobicContact CG2-CG2 3.51Å; E118-V177 HydrophobicContact CB-CG2 4.22Å; E118-V177 HydrophobicContact CG-CG2 4.46Å; A173-V177 VanDerWaalsContact O-CG2 3.29Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 3.43Å; A173-V177 VanDerWaalsContact O-N 3.1Å; V177-R179 PolarHBondContact O-N 3.32Å; V177-F180 PolarHBondContact O-N 3.17Å; V177-N181 PolarHBondContact O-N 2.91Å
178A80.8Confident75.1Confident50 Ų5089.9 Ų89.941%0.41344%0.44SS..Hα-helixtrans-60.9-4717900000111.7R174 T175 F180 N181 E182R174-A178 PolarHBondContact O-N 3.5Å; T175-A178 PolarHBondContact O-N 3.45Å; A178-F180 VanDerWaalsContact C-N 3.35Å; A178-F180 PolarHBondContact O-N 3.18Å; A178-N181 PolarHBondContact O-N 3.47Å; A178-E182 WeakPolarHBondContact O-CG 3.3Å; A178-E182 PolarHBondContact O-N 3.3Å; A178-E182 VanDerWaalsContact O-N 3.08Å
179R83.7Confident76.5Confident154 Ų15487.3 Ų87.358%0.58144%0.435SS*.Hα-helixtrans-63.4-38.4176.9-73.8-178.2178.3-170.11.4112.8T175 L176 V177 E182 Q183T175-R179 WeakPolarHBondContact O-CG 3.3Å; T175-R179 PolarHBondContact O-N 3.42Å; L176-R179 PolarHBondContact O-N 3.03Å; V177-R179 PolarHBondContact O-N 3.32Å; R179-E182 PolarHBondContact O-N 3.02Å; R179-Q183 WeakPolarHBondContact O-CB 3.41Å; R179-Q183 VanDerWaalsContact O-CG 3.29Å; R179-Q183 WeakPolarHBondContact O-CG 3.24Å; R179-Q183 PolarHBondContact O-N 2.92Å
180F82.1Confident77.7Confident26 Ų2684.6 Ų84.611%0.11442%0.417CS..Hα-helixtrans-63.7-46.2177.1177.4-98.2000111.4M110 I114 L176 V177 A178 E182 Q183 I184M110-F180 HydrophobicContact CB-CZ 4.04Å; M110-F180 HydrophobicContact CE-CE2 3.66Å; M110-F180 HydrophobicContact CE-CZ 4.07Å; I114-F180 HydrophobicContact CD1-CB 4.13Å; I114-F180 HydrophobicContact CD1-CD1 3.33Å; I114-F180 HydrophobicContact CD1-CD2 3.55Å; I114-F180 HydrophobicContact CD1-CE1 3.44Å; I114-F180 VanDerWaalsContact CD1-CE1 3.44Å; I114-F180 HydrophobicContact CD1-CE2 3.66Å; I114-F180 HydrophobicContact CD1-CG 3.37Å; I114-F180 HydrophobicContact CD1-CZ 3.58Å; L176-F180 WeakPolarHBondContact O-CB 3.47Å; L176-F180 PolarHBondContact O-N 3.45Å; V177-F180 PolarHBondContact O-N 3.17Å; A178-F180 VanDerWaalsContact C-N 3.35Å; A178-F180 PolarHBondContact O-N 3.18Å; F180-E182 VanDerWaalsContact C-N 3.33Å; F180-E182 PolarHBondContact O-N 3.48Å; F180-Q183 PolarHBondContact O-N 3.25Å; F180-I184 HydrophobicContact CD1-CG1 4.26Å; F180-I184 HydrophobicContact CD2-CG1 3.91Å; F180-I184 HydrophobicContact CE1-CG1 3.93Å; F180-I184 HydrophobicContact CE2-CD1 3.97Å; F180-I184 HydrophobicContact CE2-CG1 3.53Å; F180-I184 HydrophobicContact CG-CG1 4.27Å; F180-I184 HydrophobicContact CZ-CD1 4.24Å; F180-I184 HydrophobicContact CZ-CG1 3.57Å; F180-I184 VanDerWaalsContact O-CG1 3.32Å; F180-I184 WeakPolarHBondContact O-CG1 3.3Å; F180-I184 PolarHBondContact O-N 3.47Å
181N81.8Confident78.6Confident84 Ų8478.8 Ų78.845%0.44939%0.392SS..Hα-helixtrans-61.7-42178-75.7-11.7000111.7V177 A178 Q183 I184 E185V177-N181 PolarHBondContact O-N 2.91Å; A178-N181 PolarHBondContact O-N 3.47Å; N181-Q183 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 2.97Å; N181-I184 PolarHBondContact O-N 3.4Å; N181-E185 WeakPolarHBondContact O-CB 3.27Å; N181-E185 PolarHBondContact O-N 3.08Å
182E86.2Confident79.5Confident143 Ų14376.3 Ų76.367%0.66838%0.377SS*.Hα-helixtrans-60.5-39.2175.1-72.9174.1-179.200112.7A178 R179 F180A178-E182 WeakPolarHBondContact O-CG 3.3Å; A178-E182 PolarHBondContact O-N 3.3Å; A178-E182 VanDerWaalsContact O-N 3.08Å; R179-E182 PolarHBondContact O-N 3.02Å; F180-E182 VanDerWaalsContact C-N 3.33Å; F180-E182 PolarHBondContact O-N 3.48Å
183Q84.3Confident80.1Confident143 Ų14376.9 Ų76.967%0.66838%0.376SS*.Hα-helixtrans-76.3-30.9-178.7-73.6178.4-4.300113.7R179 F180 N181 P186R179-Q183 WeakPolarHBondContact O-CB 3.41Å; R179-Q183 VanDerWaalsContact O-CG 3.29Å; R179-Q183 WeakPolarHBondContact O-CG 3.24Å; R179-Q183 PolarHBondContact O-N 2.92Å; F180-Q183 PolarHBondContact O-N 3.25Å; N181-Q183 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 2.97Å; Q183-P186 WeakPolarHBondContact O-CD 3.41Å
184I84.3Confident80.1Confident10 Ų1075.9 Ų75.95%0.05137%0.368CS..Hα-helixtrans-93.4-20.8-176.3-58-64.4000112.3F25 L107 F180 N181 P186 I187 Y188F25-I184 HydrophobicContact CZ-CD1 4.06Å; L107-I184 HydrophobicContact CD2-CD1 4.47Å; L107-I184 HydrophobicContact CD2-CG2 3.91Å; F180-I184 HydrophobicContact CD1-CG1 4.26Å; F180-I184 HydrophobicContact CD2-CG1 3.91Å; F180-I184 HydrophobicContact CE1-CG1 3.93Å; F180-I184 HydrophobicContact CE2-CD1 3.97Å; F180-I184 HydrophobicContact CE2-CG1 3.53Å; F180-I184 HydrophobicContact CG-CG1 4.27Å; F180-I184 HydrophobicContact CZ-CD1 4.24Å; F180-I184 HydrophobicContact CZ-CG1 3.57Å; F180-I184 VanDerWaalsContact O-CG1 3.32Å; F180-I184 WeakPolarHBondContact O-CG1 3.3Å; F180-I184 PolarHBondContact O-N 3.47Å; N181-I184 PolarHBondContact O-N 3.4Å; I184-P186 VanDerWaalsContact C-N 3.31Å; I184-I187 HydrophobicContact CD1-CD1 4.21Å; I184-I187 WeakPolarHBondContact O-CA 3.29Å; I184-I187 WeakPolarHBondContact O-CB 3.38Å; I184-I187 PolarHBondContact O-N 2.93Å; I184-Y188 HydrophobicContact CB-CD2 4.36Å; I184-Y188 HydrophobicContact CB-CE2 4.23Å; I184-Y188 HydrophobicContact CG2-CD2 3.53Å; I184-Y188 HydrophobicContact CG2-CE2 3.3Å; I184-Y188 HydrophobicContact CG2-CG 4.39Å; I184-Y188 PolarHBondContact O-N 3.17Å
185E84Confident79.5Confident95 Ų9572 Ų7244%0.44436%0.358SS..Hα-helixtrans-49-43.1176.2-172.262.4-147.300113.7N181 I187 Y188 A189 R192N181-E185 WeakPolarHBondContact O-CB 3.27Å; N181-E185 PolarHBondContact O-N 3.08Å; E185-I187 VanDerWaalsContact C-N 3.27Å; E185-I187 PolarHBondContact O-N 3.1Å; E185-Y188 PolarHBondContact O-N 2.98Å; E185-Y188 VanDerWaalsContact O-N 3.15Å; E185-A189 PolarHBondContact O-N 3.43Å; E185-R192 IonicContact OE1-NH2 3.99Å; E185-R192 PolarHBondContact OE1-NH2 3.39Å
186P84.5Confident78.2Confident85 Ų8576.4 Ų76.455%0.55238%0.379SS*.Hα-helixtrans-61.5-34.1176.3-22.334.1000113.4Q183 I184 L190Q183-P186 WeakPolarHBondContact O-CD 3.41Å; I184-P186 VanDerWaalsContact C-N 3.31Å; P186-L190 PolarHBondContact O-N 2.93Å
187I82.9Confident77.3Confident20 Ų2073 Ų7310%0.10336%0.363CS..Hα-helixtrans-72.4-41.3176.3-61.8175.5000109.6L17 F25 L107 I184 E185 L190 L191L17-I187 HydrophobicContact CD1-CG2 4.23Å; F25-I187 HydrophobicContact CE2-CD1 4.08Å; F25-I187 HydrophobicContact CZ-CD1 4.45Å; L107-I187 HydrophobicContact CD1-CG2 3.94Å; I184-I187 HydrophobicContact CD1-CD1 4.21Å; I184-I187 WeakPolarHBondContact O-CA 3.29Å; I184-I187 WeakPolarHBondContact O-CB 3.38Å; I184-I187 PolarHBondContact O-N 2.93Å; E185-I187 VanDerWaalsContact C-N 3.27Å; E185-I187 PolarHBondContact O-N 3.1Å; I187-L190 PolarHBondContact O-N 3Å; I187-L191 HydrophobicContact CG2-CD1 3.88Å; I187-L191 WeakPolarHBondContact O-CB 3.49Å; I187-L191 WeakPolarHBondContact O-CD1 3.14Å; I187-L191 PolarHBondContact O-N 3.05Å
188Y81.6Confident75.9Confident61 Ų6175.7 Ų75.724%0.23938%0.377CS..Hα-helixtrans-65.9-36.4175.8-79.9-56.5000113.5L107 I184 E185 L190 L191 R192L107-Y188 HydrophobicContact CB-CE1 4.33Å; L107-Y188 HydrophobicContact CD1-CE1 4.15Å; I184-Y188 HydrophobicContact CB-CD2 4.36Å; I184-Y188 HydrophobicContact CB-CE2 4.23Å; I184-Y188 HydrophobicContact CG2-CD2 3.53Å; I184-Y188 HydrophobicContact CG2-CE2 3.3Å; I184-Y188 HydrophobicContact CG2-CG 4.39Å; I184-Y188 PolarHBondContact O-N 3.17Å; E185-Y188 PolarHBondContact O-N 2.98Å; E185-Y188 VanDerWaalsContact O-N 3.15Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; Y188-L191 PolarHBondContact O-N 3.38Å; Y188-R192 PolarHBondContact O-N 3.15Å
189A84Confident74.5Confident46 Ų4674.6 Ų74.638%0.3836%0.364SS..Hα-helixtrans-60.4-46173.300000110.9E185 R192 E193E185-A189 PolarHBondContact O-N 3.43Å; A189-R192 PolarHBondContact O-N 3.32Å; A189-E193 PolarHBondContact O-N 3.41Å; A189-E193 VanDerWaalsContact O-N 3.11Å
190L79.4Confident72.4Confident10 Ų1067.6 Ų67.65%0.05234%0.339CS..Hα-helixtrans-69.1-36.2177.7-166.763.8000112.4A13 R16 L17 Y20 P186 I187 Y188 E193 T194A13-L190 HydrophobicContact CB-CD1 4.34Å; R16-L190 HydrophobicContact CB-CD2 4.21Å; R16-L190 HydrophobicContact CG-CD2 4.12Å; L17-L190 VanDerWaalsContact CA-CD2 3.48Å; L17-L190 HydrophobicContact CB-CD2 3.75Å; L17-L190 HydrophobicContact CB-CG 4.19Å; L17-L190 HydrophobicContact CD1-CD2 4.09Å; L17-L190 HydrophobicContact CD1-CG 4.46Å; Y20-L190 HydrophobicContact CD2-CD2 3.76Å; Y20-L190 HydrophobicContact CE2-CD2 4.17Å; P186-L190 PolarHBondContact O-N 2.93Å; I187-L190 PolarHBondContact O-N 3Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; L190-E193 PolarHBondContact O-N 3.26Å; L190-T194 WeakPolarHBondContact O-CG2 3.13Å; L190-T194 PolarHBondContact O-N 3.31Å; L190-T194 VanDerWaalsContact O-N 3.07Å; L190-T194 PolarHBondContact O-OG1 3.14Å; L190-T194 VanDerWaalsContact O-OG1 3.06Å
191L79.4Confident70.6Confident9 Ų974 Ų745%0.04736%0.363CS..Hα-helixtrans-61.4-44.7173.6-106.268.3000111.7L17 V103 K104 L107 I187 Y188 T194 E195L17-L191 HydrophobicContact CD1-CD1 3.27Å; L17-L191 HydrophobicContact CD2-CD1 3.56Å; L17-L191 HydrophobicContact CD2-CG 4.4Å; L17-L191 HydrophobicContact CG-CD1 4.03Å; V103-L191 HydrophobicContact CG1-CD1 4.19Å; V103-L191 HydrophobicContact CG1-CD2 4.37Å; K104-L191 HydrophobicContact CG-CD2 3.81Å; L107-L191 HydrophobicContact CD1-CD2 3.77Å; I187-L191 HydrophobicContact CG2-CD1 3.88Å; I187-L191 WeakPolarHBondContact O-CB 3.49Å; I187-L191 WeakPolarHBondContact O-CD1 3.14Å; I187-L191 PolarHBondContact O-N 3.05Å; Y188-L191 PolarHBondContact O-N 3.38Å; L191-T194 WeakPolarHBondContact CA-OG1 3.36Å; L191-T194 CarbonylContact O-C 3.55Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-T194 PolarHBondContact O-OG1 3Å; L191-E195 WeakPolarHBondContact O-CB 3.19Å; L191-E195 PolarHBondContact O-N 3.13Å
192R77.9Confident68.9Low142 Ų14277.2 Ų77.254%0.53638%0.376SS..Hα-helixtrans-59.2-46.4175.7-105.6178-64.2-162.7-0.2111.6E185 Y188 A189 T194 E195E185-R192 IonicContact OE1-NH2 3.99Å; E185-R192 PolarHBondContact OE1-NH2 3.39Å; Y188-R192 PolarHBondContact O-N 3.15Å; A189-R192 PolarHBondContact O-N 3.32Å; R192-T194 PolarHBondContact O-N 3.22Å; R192-E195 WeakPolarHBondContact O-CB 3.13Å; R192-E195 PolarHBondContact O-N 2.92Å; R192-E195 VanDerWaalsContact O-N 3.11Å
193E75Confident67.1Low121 Ų12171.5 Ų71.557%0.56535%0.35SS*.Hα-helixtrans-61.5-31.5177.2-168.7-178.1176.800112A189 L190A189-E193 PolarHBondContact O-N 3.41Å; A189-E193 VanDerWaalsContact O-N 3.11Å; L190-E193 PolarHBondContact O-N 3.26Å
194T66Low65.4Low5 Ų565.7 Ų65.73%0.03132%0.323CS..THydrogen-bonded Turntrans-90.3-3.5176.758.10000114.6A13 L14 L190 L191 R192 V197A13-T194 HydrophobicContact CB-CG2 3.58Å; L14-T194 HydrophobicContact CD2-CG2 3.9Å; L14-T194 HydrophobicContact CG-CG2 4.09Å; L190-T194 WeakPolarHBondContact O-CG2 3.13Å; L190-T194 PolarHBondContact O-N 3.31Å; L190-T194 VanDerWaalsContact O-N 3.07Å; L190-T194 PolarHBondContact O-OG1 3.14Å; L190-T194 VanDerWaalsContact O-OG1 3.06Å; L191-T194 WeakPolarHBondContact CA-OG1 3.36Å; L191-T194 CarbonylContact O-C 3.55Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-T194 PolarHBondContact O-OG1 3Å; R192-T194 PolarHBondContact O-N 3.22Å; T194-V197 PolarHBondContact O-N 3.46Å
195E59.6Low63.6Low112 Ų11269.4 Ų69.452%0.52334%0.34SS..THydrogen-bonded Turntrans-75.8-29-174-172.2153.2-136.800112.6K104 L191 R192 V197K104-E195 VanDerWaalsContact NZ-CD 3.31Å; K104-E195 IonicContact NZ-OE1 2.98Å; K104-E195 PolarHBondContact NZ-OE1 3.4Å; L191-E195 WeakPolarHBondContact O-CB 3.19Å; L191-E195 PolarHBondContact O-N 3.13Å; R192-E195 WeakPolarHBondContact O-CB 3.13Å; R192-E195 PolarHBondContact O-N 2.92Å; R192-E195 VanDerWaalsContact O-N 3.11Å; E195-V197 VanDerWaalsContact C-N 3.29Å
196D51.8Low62Low156 Ų15666.2 Ų66.283%0.83433%0.328SS*.THydrogen-bonded Turntrans-85.6-0.7173.8-64.1-36.2000113N198D196-N198 PolarHBondContact O-N 3.03Å
197V56.2Low60.1Low41 Ų4168.5 Ų68.525%0.24833%0.331CS..  trans-90.493.9-176.9-178.40000110.4L7 P11 T194 E195 L199L7-V197 HydrophobicContact CD1-CG1 3.59Å; P11-V197 HydrophobicContact CB-CG1 4.48Å; P11-V197 HydrophobicContact CG-CG1 3.67Å; T194-V197 PolarHBondContact O-N 3.46Å; E195-V197 VanDerWaalsContact C-N 3.29Å; V197-L199 HydrophobicContact CG1-CD1 3.72Å; V197-L199 PolarHBondContact O-N 3.3Å
198N48Very low58.3Low76 Ų7669.5 Ų69.541%0.40634%0.339SS..  trans-81.399.1175.5-167.957.7000110.4P4 D196P4-N198 HydrophobicContact CB-CB 4.07Å; D196-N198 PolarHBondContact O-N 3.03Å
199L52.9Low56.7Low27 Ų2770.1 Ų70.114%0.14135%0.349CS..BIsolated β-bridgetrans-70.3137179.7-117.768.7000112.6P11 L14 Y96 V197 I203P11-L199 HydrophobicContact CG-CD1 3.79Å; L14-L199 HydrophobicContact CD1-CD1 3.38Å; L14-L199 HydrophobicContact CD1-CD2 3.97Å; L14-L199 HydrophobicContact CD1-CG 4.33Å; Y96-L199 HydrophobicContact CD2-CD2 4.34Å; Y96-L199 HydrophobicContact CG-CD2 4.26Å; V197-L199 HydrophobicContact CG1-CD1 3.72Å; V197-L199 PolarHBondContact O-N 3.3Å; L199-I203 HydrophobicContact CD2-CB 4.25Å; L199-I203 HydrophobicContact CD2-CG2 3.7Å; L199-I203 HydrophobicContact CG-CD1 4.37Å; L199-I203 HydrophobicContact CG-CG2 4.4Å
200A39.9Very low54.7Low8 Ų875 Ų757%0.06636%0.364CS..  trans-56.4146.6173.600000112.7V6 E202 I203 L204V6-A200 VanDerWaalsContact CG1-CA 3.42Å; V6-A200 HydrophobicContact CG1-CB 3.2Å; A200-E202 PolarHBondContact O-N 2.86Å; A200-I203 PolarHBondContact O-N 2.99Å; A200-L204 PolarHBondContact O-N 3.38Å
201Y44.2Very low53.1Low159 Ų15974.8 Ų74.862%0.62436%0.363SS*.Hα-helixtrans-61.1-25.4173.7-169.3-92.4000112.4I203 L204 E205Y201-I203 PolarHBondContact O-N 3.29Å; Y201-L204 HydrophobicContact CD2-CD2 3.74Å; Y201-L204 HydrophobicContact CE2-CD2 3.96Å; Y201-L204 WeakPolarHBondContact O-CB 2.88Å; Y201-L204 PolarHBondContact O-N 3.43Å; Y201-L204 VanDerWaalsContact O-N 3.15Å; Y201-E205 PolarHBondContact O-N 3.38Å; Y201-E205 PolarHBondContact OH-OE2 2.89Å
202E44.1Very low51.6Low153 Ų15379 Ų7972%0.71539%0.391SS*.Hα-helixtrans-69.8-28.7176.6-70.5168.3174.300113.6A200A200-E202 PolarHBondContact O-N 2.86Å
203I50Low50Low23 Ų2375.2 Ų75.212%0.11839%0.39CS..Hα-helixtrans-85.3-16.7172.5-56.2173.7000110.9L7 V10 Y96 L199 A200 Y201 E205L7-I203 VanDerWaalsContact O-CD1 3.22Å; L7-I203 WeakPolarHBondContact O-CD1 3.42Å; V10-I203 HydrophobicContact CG2-CG2 3.87Å; Y96-I203 HydrophobicContact CD2-CG2 4.21Å; L199-I203 HydrophobicContact CD2-CB 4.25Å; L199-I203 HydrophobicContact CD2-CG2 3.7Å; L199-I203 HydrophobicContact CG-CD1 4.37Å; L199-I203 HydrophobicContact CG-CG2 4.4Å; A200-I203 PolarHBondContact O-N 2.99Å; Y201-I203 PolarHBondContact O-N 3.29Å; I203-E205 VanDerWaalsContact C-N 3.33Å
204L48.9Very low48.7Very low21 Ų2170.2 Ų70.211%0.1137%0.367CS..Hα-helixtrans-73.4-30.7178.9-167.466.3000111.6N95 R97 A200 Y201N95-L204 WeakPolarHBondContact ND2-CD1 3.48Å; N95-L204 PolarHBondContact ND2-O 2.69Å; N95-L204 VanDerWaalsContact OD1-CD1 3.28Å; N95-L204 WeakPolarHBondContact OD1-CD1 3.2Å; R97-L204 HydrophobicContact CB-CD1 3.24Å; R97-L204 HydrophobicContact CG-CD1 4.03Å; A200-L204 PolarHBondContact O-N 3.38Å; Y201-L204 HydrophobicContact CD2-CD2 3.74Å; Y201-L204 HydrophobicContact CE2-CD2 3.96Å; Y201-L204 WeakPolarHBondContact O-CB 2.88Å; Y201-L204 PolarHBondContact O-N 3.43Å; Y201-L204 VanDerWaalsContact O-N 3.15Å
205E45.3Very low48Very low87 Ų8775.5 Ų75.541%0.40739%0.389SS..SBendtrans-140.569-179.9-56.6-163.1145.500110K73 Y201 I203 E207K73-E205 IonicContact NZ-OE1 3.86Å; K73-E205 PolarHBondContact NZ-OE1 3.24Å; Y201-E205 PolarHBondContact O-N 3.38Å; Y201-E205 PolarHBondContact OH-OE2 2.89Å; I203-E205 VanDerWaalsContact C-N 3.33Å; E205-E207 PolarHBondContact O-N 2.96Å
206P50.9Low47.5Very low28 Ų2875.6 Ų75.618%0.18239%0.39CS..  trans-62.9133.8-179.526.2-33.8000110.4F93F93-P206 HydrophobicContact CB-CG 3.85Å; F93-P206 HydrophobicContact CD2-CG 3.68Å; F93-P206 HydrophobicContact CE2-CG 4.38Å; F93-P206 HydrophobicContact CG-CG 3.89Å
207E44.2Very low47.1Very low133 Ų13370.7 Ų70.762%0.62137%0.368SS*.  trans-67.2150166-69.1-162.9136.900110.7E205 T209E205-E207 PolarHBondContact O-N 2.96Å; E207-T209 PolarHBondContact O-N 3.14Å; E207-T209 PolarHBondContact O-OG1 2.96Å
208P45.3Very low46.9Very low41 Ų4175.8 Ų75.827%0.26639%0.387SS..  trans-63.6100.1-169.224-32.5000112.1C42 Y91C42-P208 HydrophobicContact CB-CB 4.35Å; C42-P208 VanDerWaalsContact SG-CA 3.54Å; Y91-P208 HydrophobicContact CD1-CB 4.07Å; Y91-P208 HydrophobicContact CE1-CB 4.02Å
209T47.2Very low47Very low75 Ų7577.1 Ų77.146%0.4639%0.39SS..PPolyproline II helixtrans-84.3128.8171.3-20.30000109.6E207E207-T209 PolarHBondContact O-N 3.14Å; E207-T209 PolarHBondContact O-OG1 2.96Å
210E42Very low46.8Very low148 Ų14884.2 Ų84.269%0.69242%0.415SS*.PPolyproline II helixtrans-72.5146.8175.9-59-167.6151.500111.8P212E210-P212 WeakPolarHBondContact O-CD 3.21Å
211I46.9Very low47Very low6 Ų686.9 Ų86.93%0.03144%0.437CS..PPolyproline II helixtrans-76.4119.3-179.1-60.3172.2000110.3N40 V43 D47 L51 A213 L214 K215N40-I211 HydrophobicContact CB-CD1 4.11Å; N40-I211 HydrophobicContact CB-CG1 3.72Å; N40-I211 VanDerWaalsContact CG-CG2 3.5Å; N40-I211 VanDerWaalsContact ND2-CG2 3.3Å; N40-I211 WeakPolarHBondContact ND2-CG2 3.12Å; N40-I211 WeakPolarHBondContact OD1-CG2 3.46Å; V43-I211 HydrophobicContact CB-CD1 4.06Å; V43-I211 HydrophobicContact CG1-CD1 3.43Å; V43-I211 VanDerWaalsContact CG1-CD1 3.43Å; V43-I211 HydrophobicContact CG2-CD1 3.75Å; V43-I211 HydrophobicContact CG2-CG1 4.25Å; D47-I211 HydrophobicContact CB-CD1 4.15Å; L51-I211 HydrophobicContact CD1-CD1 4.25Å; I211-A213 VanDerWaalsContact C-N 3.27Å; I211-A213 HydrophobicContact CG2-CB 4.02Å; I211-A213 PolarHBondContact O-N 3.46Å; I211-L214 HydrophobicContact CB-CB 4.13Å; I211-L214 HydrophobicContact CB-CD1 4.17Å; I211-L214 HydrophobicContact CB-CG 4.25Å; I211-L214 HydrophobicContact CD1-CD1 3.58Å; I211-L214 HydrophobicContact CD1-CG 4.41Å; I211-L214 HydrophobicContact CG1-CD1 4.42Å; I211-L214 HydrophobicContact CG2-CB 4.28Å; I211-L214 HydrophobicContact CG2-CD1 4.41Å; I211-L214 HydrophobicContact CG2-CG 4.13Å; I211-L214 PolarHBondContact O-N 2.72Å; I211-L214 VanDerWaalsContact O-N 3.12Å; I211-K215 PolarHBondContact O-N 2.67Å
212P48Very low46.9Very low97 Ų9781.6 Ų81.663%0.6343%0.427SS*.Hα-helixtrans-60.5-33.3179.8-23.933.8000114E210 K215 Q216E210-P212 WeakPolarHBondContact O-CD 3.21Å; P212-K215 WeakPolarHBondContact O-CB 3.37Å; P212-K215 PolarHBondContact O-N 2.87Å; P212-Q216 PolarHBondContact O-N 3.3Å; P212-Q216 VanDerWaalsContact O-N 3.1Å
213A44.7Very low46.9Very low63 Ų6377.9 Ų77.952%0.52142%0.422SS..Hα-helixtrans-70.2-32.5178.800000113.1I211 S217I211-A213 VanDerWaalsContact C-N 3.27Å; I211-A213 HydrophobicContact CG2-CB 4.02Å; I211-A213 PolarHBondContact O-N 3.46Å; A213-S217 PolarHBondContact O-N 2.87Å; A213-S217 PolarHBondContact O-OG 3.5Å
214L46.5Very low46.4Very low16 Ų1681.3 Ų81.38%0.08445%0.454CS..Hα-helixtrans-82.9-26.1174.6-68.8176000111.5D47 L51 I211 S217 K218D47-L214 HydrophobicContact CB-CD1 3.24Å; L51-L214 HydrophobicContact CD1-CD1 4.04Å; L51-L214 HydrophobicContact CD1-CG 4.33Å; L51-L214 HydrophobicContact CD2-CD2 3.88Å; L51-L214 HydrophobicContact CD2-CG 4.36Å; L51-L214 HydrophobicContact CG-CD1 4.32Å; L51-L214 HydrophobicContact CG-CD2 4.09Å; L51-L214 HydrophobicContact CG-CG 4.41Å; I211-L214 HydrophobicContact CB-CB 4.13Å; I211-L214 HydrophobicContact CB-CD1 4.17Å; I211-L214 HydrophobicContact CB-CG 4.25Å; I211-L214 HydrophobicContact CD1-CD1 3.58Å; I211-L214 HydrophobicContact CD1-CG 4.41Å; I211-L214 HydrophobicContact CG1-CD1 4.42Å; I211-L214 HydrophobicContact CG2-CB 4.28Å; I211-L214 HydrophobicContact CG2-CD1 4.41Å; I211-L214 HydrophobicContact CG2-CG 4.13Å; I211-L214 PolarHBondContact O-N 2.72Å; I211-L214 VanDerWaalsContact O-N 3.12Å; L214-S217 WeakPolarHBondContact CA-OG 2.88Å; L214-S217 PolarHBondContact O-N 3.37Å; L214-S217 PolarHBondContact O-OG 2.75Å; L214-K218 WeakPolarHBondContact O-CA 3.37Å; L214-K218 WeakPolarHBondContact O-CB 3.12Å; L214-K218 PolarHBondContact O-N 2.78Å
215K51.4Low46Very low115 Ų11582.7 Ų82.750%0.547%0.473SS..Hα-helixtrans-59.1-49.2166.2-175.8173.5173.3175.70110.5I211 P212 S217 K218 E219I211-K215 PolarHBondContact O-N 2.67Å; P212-K215 WeakPolarHBondContact O-CB 3.37Å; P212-K215 PolarHBondContact O-N 2.87Å; K215-S217 PolarHBondContact O-N 2.73Å; K215-K218 CarbonylContact O-C 3.57Å; K215-K218 PolarHBondContact O-N 2.75Å; K215-E219 WeakPolarHBondContact CE-OE1 2.89Å; K215-E219 HydrophobicContact CG-CG 4.26Å; K215-E219 WeakPolarHBondContact CG-OE1 3.31Å; K215-E219 IonicContact NZ-OE1 2.92Å; K215-E219 WeakPolarHBondContact O-CA 3.06Å; K215-E219 WeakPolarHBondContact O-CB 3.47Å; K215-E219 WeakPolarHBondContact O-CG 3.26Å; K215-E219 PolarHBondContact O-N 3.23Å
216Q49Very low45.7Very low114 Ų11482.5 Ų82.553%0.53348%0.481SS..Hα-helixtrans-68.4-33.9179.5-164.1176.161.700113.6P212 R220P212-Q216 PolarHBondContact O-N 3.3Å; P212-Q216 VanDerWaalsContact O-N 3.1Å; Q216-R220 VanDerWaalsContact O-CB 3.3Å; Q216-R220 WeakPolarHBondContact O-CB 3.33Å; Q216-R220 VanDerWaalsContact O-CG 3.3Å; Q216-R220 WeakPolarHBondContact O-CG 3.34Å; Q216-R220 PolarHBondContact O-N 3.11Å
217S43.8Very low45.1Very low53 Ų5384.3 Ų84.337%0.37151%0.506SS..Hα-helixtrans-78.3-34175.570.70000112.8A213 L214 K215 R220 A221A213-S217 PolarHBondContact O-N 2.87Å; A213-S217 PolarHBondContact O-OG 3.5Å; L214-S217 WeakPolarHBondContact CA-OG 2.88Å; L214-S217 PolarHBondContact O-N 3.37Å; L214-S217 PolarHBondContact O-OG 2.75Å; K215-S217 PolarHBondContact O-N 2.73Å; S217-R220 PolarHBondContact O-N 3.48Å; S217-A221 WeakPolarHBondContact O-CB 3.31Å; S217-A221 PolarHBondContact O-N 3.5Å
218K51.4Low44.9Very low149 Ų14984.4 Ų84.465%0.64852%0.515SS*.Hα-helixtrans-75.8-29.5174-170.2177.8178.7-174.20111.1L214 K215 A222L214-K218 WeakPolarHBondContact O-CA 3.37Å; L214-K218 WeakPolarHBondContact O-CB 3.12Å; L214-K218 PolarHBondContact O-N 2.78Å; K215-K218 CarbonylContact O-C 3.57Å; K215-K218 PolarHBondContact O-N 2.75Å; K218-A222 VanDerWaalsContact O-CA 3.31Å; K218-A222 WeakPolarHBondContact O-CA 3.47Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 3.28Å
219E50.3Low44.4Very low103 Ų10387.1 Ų87.148%0.48154%0.541SS..Hα-helixtrans-74-34.5168.3-79.7168.3165.500111.1K215 A223K215-E219 WeakPolarHBondContact CE-OE1 2.89Å; K215-E219 HydrophobicContact CG-CG 4.26Å; K215-E219 WeakPolarHBondContact CG-OE1 3.31Å; K215-E219 IonicContact NZ-OE1 2.92Å; K215-E219 WeakPolarHBondContact O-CA 3.06Å; K215-E219 WeakPolarHBondContact O-CB 3.47Å; K215-E219 WeakPolarHBondContact O-CG 3.26Å; K215-E219 PolarHBondContact O-N 3.23Å; E219-A223 WeakPolarHBondContact O-CA 3.28Å; E219-A223 WeakPolarHBondContact O-CB 3.33Å; E219-A223 PolarHBondContact O-N 3.19Å
220R48.8Very low43.7Very low176 Ų17686.5 Ų86.566%0.66455%0.55SS*.Hα-helixtrans-73.4-36.7170.4-81-179.4-176.9176.23.3112.9Q216 S217 A223 A224Q216-R220 VanDerWaalsContact O-CB 3.3Å; Q216-R220 WeakPolarHBondContact O-CB 3.33Å; Q216-R220 VanDerWaalsContact O-CG 3.3Å; Q216-R220 WeakPolarHBondContact O-CG 3.34Å; Q216-R220 PolarHBondContact O-N 3.11Å; S217-R220 PolarHBondContact O-N 3.48Å; R220-A223 PolarHBondContact O-N 3.35Å; R220-A224 VanDerWaalsContact O-CB 3.26Å; R220-A224 WeakPolarHBondContact O-CB 3.43Å; R220-A224 PolarHBondContact O-N 3.28Å
221A43.6Very low43.6Very low64 Ų6485.3 Ų85.353%0.52955%0.547SS..Hα-helixtrans-75.5-33.9174.800000111.4S217 A224 G225S217-A221 WeakPolarHBondContact O-CB 3.31Å; S217-A221 PolarHBondContact O-N 3.5Å; A221-A224 PolarHBondContact O-N 3.08Å; A221-G225 WeakPolarHBondContact O-CA 2.96Å; A221-G225 PolarHBondContact O-N 3.07Å
222A42.2Very low42.8Very low48 Ų4890.1 Ų90.140%0.39758%0.577SS.*Hα-helixtrans-67.8-43.5167.500000109.4K218 A224 G225 S226K218-A222 VanDerWaalsContact O-CA 3.31Å; K218-A222 WeakPolarHBondContact O-CA 3.47Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 3.28Å; A222-A224 VanDerWaalsContact C-N 3.31Å; A222-A224 PolarHBondContact O-N 3.29Å; A222-G225 CarbonylContact O-C 3.52Å; A222-G225 PolarHBondContact O-N 3.38Å; A222-S226 WeakPolarHBondContact O-CA 3.45Å; A222-S226 WeakPolarHBondContact O-CB 2.97Å; A222-S226 PolarHBondContact O-N 3.09Å; A222-S226 PolarHBondContact O-OG 3.04Å
223A44.3Very low42Very low76 Ų7688.6 Ų88.663%0.62858%0.579SS**Hα-helixtrans-64.3-33174.400000112.9E219 R220E219-A223 WeakPolarHBondContact O-CA 3.28Å; E219-A223 WeakPolarHBondContact O-CB 3.33Å; E219-A223 PolarHBondContact O-N 3.19Å; R220-A223 PolarHBondContact O-N 3.35Å
224A40.8Very low41.2Very low94 Ų9488.8 Ų88.878%0.77759%0.587SS**Hα-helixtrans-79.1-18.4172.700000113.4R220 A221 A222R220-A224 VanDerWaalsContact O-CB 3.26Å; R220-A224 WeakPolarHBondContact O-CB 3.43Å; R220-A224 PolarHBondContact O-N 3.28Å; A221-A224 PolarHBondContact O-N 3.08Å; A222-A224 VanDerWaalsContact C-N 3.31Å; A222-A224 PolarHBondContact O-N 3.29Å
225G38.8Very low40.8Very low50 Ų5097.8 Ų97.852%0.51563%0.628SS.*Hα-helixtrans-112.36.3177.900000114.3A221 A222 G227A221-G225 WeakPolarHBondContact O-CA 2.96Å; A221-G225 PolarHBondContact O-N 3.07Å; A222-G225 CarbonylContact O-C 3.52Å; A222-G225 PolarHBondContact O-N 3.38Å; G225-G227 PolarHBondContact O-N 3.22Å
226S38.9Very low40Very low83 Ų8399.1 Ų99.158%0.5864%0.636SS**THydrogen-bonded Turntrans-83.849.8-172-123.90000110.1A222A222-S226 WeakPolarHBondContact O-CA 3.45Å; A222-S226 WeakPolarHBondContact O-CB 2.97Å; A222-S226 PolarHBondContact O-N 3.09Å; A222-S226 PolarHBondContact O-OG 3.04Å
227G38.1Very low39.4Very low67 Ų67103.9 Ų103.969%0.69165%0.649SS**THydrogen-bonded Turntrans-72.8-38.8156.700000111G225G225-G227 PolarHBondContact O-N 3.22Å
228T40.1Very low39Very low135 Ų135107.6 Ų107.683%0.82866%0.661SS**SBendtrans-168.446-158.256.30000116.8
229A35.1Very low38.3Very low97 Ų97103.2 Ų103.280%0.80265%0.652SS**  trans-155.430.2-179.900000117.8
230G33.3Very low37.5Very low62 Ų62108 Ų10864%0.63967%0.666SS**SBendtrans-98.8-8.3-172.500000117.5
231L40.3Very low36.9Very low124 Ų124103.8 Ų103.865%0.64966%0.66SS**  trans-138.973.2-162-58.8173.8000112.6F440L231-F440 HydrophobicContact CD1-CE1 4.2Å; L231-F440 HydrophobicContact CD1-CE2 4.23Å; L231-F440 HydrophobicContact CD1-CZ 3.49Å; L231-F440 VanDerWaalsContact CD1-CZ 3.49Å; L231-F440 HydrophobicContact CD2-CE1 3.43Å; L231-F440 VanDerWaalsContact CD2-CE1 3.43Å; L231-F440 HydrophobicContact CD2-CZ 3.39Å; L231-F440 HydrophobicContact CG-CE1 4.45Å; L231-F440 HydrophobicContact CG-CZ 4.08Å
232T30.1Very low36.4Very low107 Ų107107.5 Ų107.566%0.65668%0.676SS**  trans-142.6105.516358.30000110.6
233G30.4Very low36.3Very low64 Ų64115 Ų11566%0.6670%0.7SS**  trans76.6108.3143.500000118.9
234G28.8Very low35.8Very low67 Ų67113.8 Ų113.869%0.69170%0.695SS**  trans155.561.6158.900000115.1H236G234-H236 PolarHBondContact O-N 3.4Å
235H37.7Very low36.1Very low205 Ų205116.2 Ų116.295%0.94970%0.703SS**  trans-76.863.6164.4-72.3-97.5000110.2
236H33.2Very low36Very low144 Ų144118.1 Ų118.167%0.66771%0.708SS**  trans-130.876.9156.1-163.3-99.4000107.4G234 E238G234-H236 PolarHBondContact O-N 3.4Å; H236-E238 VanDerWaalsContact C-N 3.35Å; H236-E238 VanDerWaalsContact CE1-CD 3.48Å; H236-E238 WeakPolarHBondContact CE1-CG 3.17Å; H236-E238 IonicContact CE1-OE1 3.52Å; H236-E238 PolarHBondContact CE1-OE1 3Å; H236-E238 PolarHBondContact O-N 2.69Å
237R37.6Very low36.2Very low213 Ų213123.6 Ų123.680%0.80472%0.717SS**  trans-83.884.6175.2-157.8176.1117.8177.50.1107.2A239R237-A239 HydrophobicContact CG-CB 4.05Å; R237-A239 PolarHBondContact O-N 3.11Å
238E34.8Very low36.4Very low132 Ų132128.4 Ų128.462%0.61772%0.722SS**  trans-6969.6157.9-79.8177.9163.900108.3H236 W240H236-E238 VanDerWaalsContact C-N 3.35Å; H236-E238 VanDerWaalsContact CE1-CD 3.48Å; H236-E238 WeakPolarHBondContact CE1-CG 3.17Å; H236-E238 IonicContact CE1-OE1 3.52Å; H236-E238 PolarHBondContact CE1-OE1 3Å; H236-E238 PolarHBondContact O-N 2.69Å; E238-W240 VanDerWaalsContact C-N 3.33Å; E238-W240 PolarHBondContact O-N 2.52Å; E238-W240 VanDerWaalsContact O-N 3.08Å
239A36.6Very low36.6Very low57 Ų57126.9 Ų126.947%0.47171%0.708SS.*  trans-7591.4168.400000107.4R237 T241R237-A239 HydrophobicContact CG-CB 4.05Å; R237-A239 PolarHBondContact O-N 3.11Å; A239-T241 PolarHBondContact O-N 2.93Å
240W33.9Very low36.9Very low202 Ų202127.1 Ų127.177%0.76570%0.696SS**  trans-69.1120.8170.8-72.184000109.6E238 T242E238-W240 VanDerWaalsContact C-N 3.33Å; E238-W240 PolarHBondContact O-N 2.52Å; E238-W240 VanDerWaalsContact O-N 3.08Å; W240-T242 PolarHBondContact O-N 2.99Å
241T35.5Very low37.5Very low89 Ų89132.9 Ų132.955%0.54670%0.7SS.*  trans-57.6127.4-176.671.30000110.9A239 K243A239-T241 PolarHBondContact O-N 2.93Å; T241-K243 PolarHBondContact O-N 2.84Å
242T33.7Very low38Very low142 Ų142132.8 Ų132.887%0.87170%0.704SS**  trans-74.7109.3166.6-19.20000107.2W240 G244W240-T242 PolarHBondContact O-N 2.99Å; T242-G244 VanDerWaalsContact C-N 3.26Å; T242-G244 PolarHBondContact O-N 2.91Å
243K39.8Very low38.6Very low205 Ų205134.8 Ų134.889%0.89171%0.706SS**  trans-72.783.9173.5-70.4-163.8178.1-176.80110.3T241T241-K243 PolarHBondContact O-N 2.84Å
244G33.7Very low39.7Very low50 Ų50134.9 Ų134.952%0.51569%0.691SS.*SBendtrans-122.1151155.300000108.7T242 S246T242-G244 VanDerWaalsContact C-N 3.26Å; T242-G244 PolarHBondContact O-N 2.91Å; G244-S246 VanDerWaalsContact C-N 3.34Å; G244-S246 PolarHBondContact O-N 3.42Å
245P47.4Very low40.9Very low146 Ų146137.4 Ų137.495%0.94869%0.693SS**SBendtrans-81.184.4-172.833.7-31.3000109.6
246S36.6Very low41.5Very low89 Ų89133 Ų13362%0.62268%0.681SS**  trans-148124.5156.8-171.30000107.9G244 E248G244-S246 VanDerWaalsContact C-N 3.34Å; G244-S246 PolarHBondContact O-N 3.42Å; S246-E248 VanDerWaalsContact C-N 3.33Å; S246-E248 PolarHBondContact O-N 2.97Å
247Y42.9Very low42.4Very low198 Ų198132 Ų13278%0.77668%0.679SS**  trans-61.990.4175.4175.7-97.7000109L250Y247-L250 HydrophobicContact CE1-CD1 4.4Å
248E43.3Very low43Very low168 Ų168124.3 Ų124.379%0.78566%0.658SS**  trans-143.359.1179-159144.7-172.300109.2S246S246-E248 VanDerWaalsContact C-N 3.33Å; S246-E248 PolarHBondContact O-N 2.97Å
249D44.2Very low44Very low103 Ų103126.9 Ų126.955%0.55167%0.672SS**  trans-13873.4168.3-148.314.6000107.6
250L41.5Very low44.8Very low102 Ų102132.6 Ų132.653%0.53469%0.689SS.*  trans-10593.8167-74164.3000106Y247 T252Y247-L250 HydrophobicContact CE1-CD1 4.4Å; L250-T252 PolarHBondContact O-N 2.61Å
251Y44.6Very low45.6Very low184 Ų184126.8 Ų126.872%0.72267%0.673SS**  trans-50.9129.1169.4-93.7-103.4000110.1Q253Y251-Q253 PolarHBondContact O-N 3.05Å
252T51.5Low46.1Very low122 Ų122131.6 Ų131.675%0.74869%0.689SS**  trans2781.4169.752.80000114.5L250 N254L250-T252 PolarHBondContact O-N 2.61Å; T252-N254 PolarHBondContact O-N 2.84Å
253Q43.3Very low46.9Very low148 Ų148133.3 Ų133.369%0.69269%0.688SS**  trans-97.967.5169.9-160.4169.514.700109Y251Y251-Q253 PolarHBondContact O-N 3.05Å
254N53.5Low47.3Very low66 Ų66128.7 Ų128.735%0.35367%0.673SS.*  trans-81.4129.7172.7-58.141.1000107.3T252 V256 D441T252-N254 PolarHBondContact O-N 2.84Å; N254-V256 PolarHBondContact O-N 2.76Å; N254-D441 PolarHBondContact ND2-OXT 3.23Å
255V53.3Low48.1Very low120 Ų120132 Ų13273%0.72768%0.678SS**  trans-89.5101179.1-179.70000107.6I257V255-I257 HydrophobicContact CG1-CD1 4.28Å; V255-I257 HydrophobicContact CG1-CG1 3.92Å; V255-I257 PolarHBondContact O-N 2.98Å
256V51.4Low48.3Very low113 Ų113129.7 Ų129.769%0.68567%0.665SS**  trans-75.8110.6175.8-178.20000109.1N254N254-V256 PolarHBondContact O-N 2.76Å
257I50.6Low49Very low122 Ų122134.2 Ų134.263%0.62667%0.668SS**  trans-107.294.4171.8-53.5177.8000107.6V255V255-I257 HydrophobicContact CG1-CD1 4.28Å; V255-I257 HydrophobicContact CG1-CG1 3.92Å; V255-I257 PolarHBondContact O-N 2.98Å
258S50.9Low49.2Very low53 Ų53128.1 Ų128.137%0.37166%0.655SS.*  trans-102.8122.4173.2178.70000109.2D261S258-D261 PolarHBondContact OG-OD2 2.78Å
259M55.1Low49.4Very low185 Ų185123 Ų12391%0.91164%0.642SS**SBendtrans-100.22.7175.2-66.2-173.878.300113.4
260E54.3Low49.5Very low177 Ų177122.5 Ų122.583%0.82765%0.646SS**SBendtrans-109.7-11.5-167.9-156.3167.4-158.200114.4Q262E260-Q262 PolarHBondContact O-N 3.37Å
261D50Low49.9Very low81 Ų81126.2 Ų126.243%0.43366%0.66SS.*THydrogen-bonded Turntrans-82.82.6-169.4-72.4-47.2000115.7S258 L265S258-D261 PolarHBondContact OG-OD2 2.78Å; D261-L265 HydrophobicContact CB-CD1 4.28Å; D261-L265 WeakPolarHBondContact O-CD1 3.5Å
262Q46.8Very low50.1Low190 Ų190120.4 Ų120.489%0.88866%0.656SS**THydrogen-bonded Turntrans-87.3-15.6-166.4-15216846.700115.8E260E260-Q262 PolarHBondContact O-N 3.37Å
263E50.3Low49.7Very low178 Ų178121.6 Ų121.683%0.83265%0.651SS**THydrogen-bonded Turntrans-88.3-24.2-172.3-70.9-168.6141.500115.2
264D48.2Very low50Low108 Ų108120 Ų12058%0.57865%0.654SS**THydrogen-bonded Turntrans-122.9-4.9-169.9-80.6-46.4000117.2S266 R267D264-S266 PolarHBondContact O-N 3.29Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-R267 PolarHBondContact O-N 3.14Å
265L50.8Low50.1Low119 Ų119121.7 Ų121.762%0.62368%0.677SS**Hα-helixtrans-62.8-22.8178.6-83165.8000114.1D261 S268D261-L265 HydrophobicContact CB-CD1 4.28Å; D261-L265 WeakPolarHBondContact O-CD1 3.5Å; L265-S268 PolarHBondContact O-OG 3.31Å
266S50.4Low50.1Low98 Ų98126.2 Ų126.269%0.68568%0.681SS**Hα-helixtrans-78.4-25.3179.668.80000113.5D264D264-S266 PolarHBondContact O-N 3.29Å; D264-S266 VanDerWaalsContact O-N 3.15Å
267R51.9Low50.6Low183 Ų183127.9 Ų127.969%0.69168%0.682SS**Hα-helixtrans-83.2-42.7179.8-78.6-179.3160.5174.7-3111.9D264 A269 S270D264-R267 PolarHBondContact O-N 3.14Å; R267-A269 VanDerWaalsContact C-N 3.32Å; R267-A269 PolarHBondContact O-N 3.47Å; R267-S270 WeakPolarHBondContact O-CB 3.35Å; R267-S270 PolarHBondContact O-N 3.45Å; R267-S270 VanDerWaalsContact O-N 3.15Å; R267-S270 PolarHBondContact O-OG 3.3Å
268S47.1Very low51.3Low71 Ų71130.3 Ų130.350%0.49768%0.683SS.*Hα-helixtrans-68.5-26.6-179.857.90000113.8L265 S270 E271L265-S268 PolarHBondContact O-OG 3.31Å; S268-S270 PolarHBondContact O-N 2.81Å; S268-E271 PolarHBondContact O-N 3.4Å
269A47.3Very low52.1Low61 Ų61131.5 Ų131.550%0.50469%0.689SS.*Hα-helixtrans-66.6-13.9173.100000114.1R267R267-A269 VanDerWaalsContact C-N 3.32Å; R267-A269 PolarHBondContact O-N 3.47Å
270S46.9Very low52.1Low91 Ų91128.1 Ų128.164%0.63667%0.673SS**Hα-helixtrans-92.5-28.1179.775.70000113.9R267 S268R267-S270 WeakPolarHBondContact O-CB 3.35Å; R267-S270 PolarHBondContact O-N 3.45Å; R267-S270 VanDerWaalsContact O-N 3.15Å; R267-S270 PolarHBondContact O-OG 3.3Å; S268-S270 PolarHBondContact O-N 2.81Å
271E49.8Very low52.3Low180 Ų180129.9 Ų129.984%0.84167%0.673SS**Hα-helixtrans-86-19.9180-95.5179.1136.300113.8S268S268-E271 PolarHBondContact O-N 3.4Å
272G48.1Very low53Low62 Ų62130.9 Ų130.964%0.63968%0.678SS**SBendtrans-91.213.7-17600000117.3P274G272-P274 WeakPolarHBondContact O-CD 3.41Å
273K43Very low53.8Low147 Ų147128.9 Ų128.964%0.63966%0.662SS**  trans-98.695.6176.4-72177.1-172.9168.40110.9
274P50.6Low53.9Low115 Ų115127.3 Ų127.375%0.74766%0.655SS**  trans-62.4147.8168.926.7-33.4000110.5G272 R276G272-P274 WeakPolarHBondContact O-CD 3.41Å; P274-R276 PolarHBondContact O-N 3.1Å
275A55.3Low54.2Low102 Ų102127.4 Ų127.484%0.84366%0.664SS**  trans-48.1106.2-170.800000112.8E277A275-E277 PolarHBondContact O-N 3.39Å; A275-E277 VanDerWaalsContact O-N 3.13Å
276R54.1Low54.3Low215 Ų215128.2 Ų128.281%0.81167%0.674SS**  trans-60.9115.3172.6-67.7-175.1174.8-161.1-3.5108.7P274 R278P274-R276 PolarHBondContact O-N 3.1Å; R276-R278 PolarHBondContact O-N 2.97Å
277E60.4Low54Low148 Ų148129.1 Ų129.169%0.69268%0.675SS**PPolyproline II helixtrans-55.7138.4172.1-83.2-160.611700110.9A275 R283A275-E277 PolarHBondContact O-N 3.39Å; A275-E277 VanDerWaalsContact O-N 3.13Å; E277-R283 IonicContact OE1-CZ 2.99Å; E277-R283 IonicContact OE1-NH1 2.8Å; E277-R283 IonicContact OE1-NH2 3.57Å; E277-R283 PolarHBondContact OE1-NH2 3.12Å; E277-R283 IonicContact OE2-NH1 3.93Å
278R66.9Low53.4Low173 Ų173129.3 Ų129.365%0.65368%0.684SS**PPolyproline II helixtrans-67.7136.7-171.5-64-175.9176.4-170.1-4.9111.2R276 L282R276-R278 PolarHBondContact O-N 2.97Å; R278-L282 HydrophobicContact CB-CD2 4.19Å; R278-L282 VanDerWaalsContact CD-CD2 3.46Å; R278-L282 HydrophobicContact CG-CD2 4.42Å
279P67.1Low53.7Low77 Ų77130 Ų13050%0.570%0.702SS.*PPolyproline II helixtrans-65.3156-176.419-26.4000113.7W281 L282P279-W281 VanDerWaalsContact C-N 3.27Å; P279-W281 PolarHBondContact O-N 3.02Å; P279-W281 VanDerWaalsContact O-N 3.11Å; P279-L282 PolarHBondContact O-N 2.6Å
280I55.1Low53.6Low114 Ų114131.5 Ų131.559%0.58571%0.714SS**G310 helixtrans-64.9-23.8-155.6-52.7152.8000113.7L282 R283 E284I280-L282 PolarHBondContact O-N 2.82Å; I280-L282 VanDerWaalsContact O-N 3.14Å; I280-R283 PolarHBondContact O-N 2.71Å; I280-E284 HydrophobicContact CG2-CG 4.16Å; I280-E284 PolarHBondContact O-N 3.17Å; I280-E284 VanDerWaalsContact O-N 3.09Å
281W59.3Low53.3Low214 Ų214138.4 Ų138.481%0.81173%0.728SS**G310 helixtrans-66.1-9.317462-73.4000114.7P279P279-W281 VanDerWaalsContact C-N 3.27Å; P279-W281 PolarHBondContact O-N 3.02Å; P279-W281 VanDerWaalsContact O-N 3.11Å
282L62.7Low52.6Low103 Ų103136.8 Ų136.854%0.53973%0.725SS.*G310 helixtrans-100.5-10.5171.4-154.875.2000112.9R278 P279 I280R278-L282 HydrophobicContact CB-CD2 4.19Å; R278-L282 VanDerWaalsContact CD-CD2 3.46Å; R278-L282 HydrophobicContact CG-CD2 4.42Å; P279-L282 PolarHBondContact O-N 2.6Å; I280-L282 PolarHBondContact O-N 2.82Å; I280-L282 VanDerWaalsContact O-N 3.14Å
283R64.4Low52.5Low147 Ų147138.3 Ų138.356%0.55572%0.724SS**THydrogen-bonded Turntrans-103.3-32.6-178-75.5-179.1169.6156.9-8.1112.7E277 I280E277-R283 IonicContact OE1-CZ 2.99Å; E277-R283 IonicContact OE1-NH1 2.8Å; E277-R283 IonicContact OE1-NH2 3.57Å; E277-R283 PolarHBondContact OE1-NH2 3.12Å; E277-R283 IonicContact OE2-NH1 3.93Å; I280-R283 PolarHBondContact O-N 2.71Å
284E52.7Low52Low146 Ų146138.6 Ų138.668%0.68273%0.732SS**  trans-96.699.2179.9-68.1-176.5171.800111.5I280I280-E284 HydrophobicContact CG2-CG 4.16Å; I280-E284 PolarHBondContact O-N 3.17Å; I280-E284 VanDerWaalsContact O-N 3.09Å
285S54.6Low51.7Low109 Ų109141.9 Ų141.976%0.76274%0.738SS**  trans-88.6105.3159.1-179.80000108.1V287S285-V287 PolarHBondContact O-N 3.14Å
286T52.1Low50.9Low137 Ų137145.1 Ų145.184%0.8474%0.739SS**  trans-71.6105.6169.420.50000110
287V45.4Very low50.3Low116 Ų116144.4 Ų144.470%0.70374%0.742SS**  trans-61.2133.2177.2168.40000112.3S285S285-V287 PolarHBondContact O-N 3.14Å
288Q39.2Very low49.2Very low188 Ų188145.1 Ų145.188%0.87975%0.75SS**SBendtrans62.6103.4161.9-73.4174.31.300119.5
289G52.9Low47.7Very low86 Ų86140 Ų14089%0.88775%0.751SS**  101.928.1125.100000119.3
290A44.7Very low46.2Very low91 Ų91139.7 Ų139.775%0.75276%0.762SS**  trans-149.176.5173.900000113.4
291Y40.5Very low45.7Very low236 Ų236146 Ų14693%0.92578%0.779SS**  160.8118.8128-109.4-98.8000108.8
292D34.6Very low44.6Very low147 Ų147143.7 Ų143.779%0.78678%0.782SS**  trans-138.9156.6170.5-149.91.7000105.8
293P46.7Very low43.8Very low94 Ų94146.8 Ų146.861%0.6180%0.799SS**  -126.5159.7-74.537.9-26.3000110.5
294D32.7Very low42.6Very low152 Ų152146.5 Ų146.581%0.81381%0.808SS**  trans-172.3104.3134.6-94.7-19.3000110.6
295E43.9Very low42.6Very low184 Ų184144 Ų14486%0.8681%0.812SS**  trans28.8101.8149.2-61.6-169.7142.100120.4
296I39.2Very low42.2Very low170 Ų170147.6 Ų147.687%0.87281%0.814SS**  trans-138.4111.1138.1-55.3180000109.8D298I296-D298 PolarHBondContact O-N 3.46Å
297K40.6Very low41.7Very low200 Ų200149.8 Ų149.887%0.8782%0.815SS**  trans-33.6122.4165.7-96.6164.4163.3172.20113.6G299K297-G299 PolarHBondContact O-N 2.86Å
298D37.9Very low41.9Very low164 Ų164153.1 Ų153.188%0.87782%0.823SS**  trans-67.1118.4160-171.423.3000109.2I296 G300I296-D298 PolarHBondContact O-N 3.46Å; D298-G300 PolarHBondContact O-N 2.85Å
299G35.8Very low42Very low64 Ų64153.7 Ų153.766%0.6682%0.817SS**  trans-83.893.6-177.900000110.7K297 R301K297-G299 PolarHBondContact O-N 2.86Å; G299-R301 PolarHBondContact O-N 3.33Å
300G36.3Very low41.9Very low72 Ų72158.3 Ų158.374%0.74282%0.816SS**PPolyproline II helixtrans-56.6127.1165.100000110.4D298D298-G300 PolarHBondContact O-N 2.85Å
301R43.7Very low41.7Very low247 Ų247161 Ų16193%0.93281%0.812SS**PPolyproline II helixtrans-64.8132180-77.2174.4147.9150.5-6.6111.1G299G299-R301 PolarHBondContact O-N 3.33Å
302D36Very low41.9Very low164 Ų164153.2 Ų153.288%0.87781%0.805SS**PPolyproline II helixtrans-52.9136.2179.9-90-42.8000113.8
303L46.2Very low42.8Very low169 Ų169157.9 Ų157.989%0.88581%0.811SS**  trans-79.9113.2162.3-66.5166.7000107.9
304D39.9Very low43.1Very low141 Ų141158 Ų15875%0.75482%0.82SS**  trans-106.685165.3-153.120.4000108.3F306D304-F306 WeakPolarHBondContact OD1-CD2 3.25Å
305A51.4Low44.4Very low93 Ų93153.1 Ų153.177%0.76980%0.801SS**  trans-94.9100.4173.700000108.9
306F46.6Very low45.2Very low184 Ų184153.1 Ų153.181%0.80781%0.806SS**  trans-127.299.2167.9-88.4-84.9000110.1D304D304-F306 WeakPolarHBondContact OD1-CD2 3.25Å
307Q41.3Very low46.3Very low183 Ų183148.7 Ų148.786%0.85578%0.784SS**  175.595.1115.3-168.9163.515.600108R309Q307-R309 PolarHBondContact O-N 3.29Å
308E49.4Very low47.9Very low186 Ų186143.7 Ų143.787%0.86977%0.767SS**  trans-62.9124.1157.6-88.7177153.200108.5
309R41.5Very low49.5Very low200 Ų200142.3 Ų142.376%0.75576%0.759SS**  trans-129.888.8146.8-170177.4-175.3-152.8-4.1108.3Q307 E311Q307-R309 PolarHBondContact O-N 3.29Å; R309-E311 IonicContact CZ-OE2 2.83Å; R309-E311 IonicContact NE-OE2 2.8Å; R309-E311 PolarHBondContact NE-OE2 2.88Å; R309-E311 IonicContact NH2-OE2 3.4Å; R309-E311 PolarHBondContact NH2-OE2 3.44Å; R309-E311 VanDerWaalsContact NH2-OE2 3.12Å
310E51.1Low51.5Low184 Ų184144 Ų14486%0.8675%0.75SS**  trans-94.896.5162.3-142.5-169.9159.500108
311E40.3Very low53.7Low146 Ų146146 Ų14668%0.68274%0.74SS**  trans-137.3104.3164.3-79.4-174.5148.300109.3R309R309-E311 IonicContact CZ-OE2 2.83Å; R309-E311 IonicContact NE-OE2 2.8Å; R309-E311 PolarHBondContact NE-OE2 2.88Å; R309-E311 IonicContact NH2-OE2 3.4Å; R309-E311 PolarHBondContact NH2-OE2 3.44Å; R309-E311 VanDerWaalsContact NH2-OE2 3.12Å
312G45.1Very low55.5Low74 Ų74138.1 Ų138.176%0.76372%0.719SS**SBendtrans72105138.100000118.8
313R53.8Low57.6Low245 Ų245136.1 Ų136.193%0.92571%0.706SS**  trans35.6101.3154.5-67.8-178.7175.4177-1.9115.9A315R313-A315 PolarHBondContact O-N 3.34Å; R313-A315 VanDerWaalsContact O-N 3.13Å
314A52.9Low59.2Low96 Ų96133.7 Ų133.779%0.79369%0.685SS**  trans-51.6119.5155.700000108.6
315A59.5Low61.1Low49 Ų49129.2 Ų129.241%0.40567%0.667SS.*  trans-68136.4-176.700000109.2R313 D317 D318R313-A315 PolarHBondContact O-N 3.34Å; R313-A315 VanDerWaalsContact O-N 3.13Å; A315-D317 VanDerWaalsContact C-N 3.28Å; A315-D317 PolarHBondContact O-N 3Å; A315-D318 VanDerWaalsContact CB-OD1 3.31Å; A315-D318 WeakPolarHBondContact CB-OD1 3.41Å
316L60.8Low62.4Low185 Ų185130.3 Ų130.397%0.96966%0.66SS**SBendtrans-90.520.7-173.9-71.8172000112.9
317D63.3Low63.9Low77 Ų77127.2 Ų127.241%0.41265%0.651SS.*  trans-160.854.9177.9-169.520.8000112.7A315 N319 E320 E321 R324A315-D317 VanDerWaalsContact C-N 3.28Å; A315-D317 PolarHBondContact O-N 3Å; D317-N319 VanDerWaalsContact C-N 3.31Å; D317-N319 PolarHBondContact O-N 3.16Å; D317-E320 WeakPolarHBondContact OD2-CB 3.39Å; D317-E321 PolarHBondContact O-N 2.93Å; D317-R324 IonicContact OD2-NH2 3.01Å
318D72.2Confident65.8Low95 Ų95123.8 Ų123.851%0.50864%0.637SS.*Hα-helixtrans-64.9-34.3-175.3-67.2-25.8000112.4A315 V322A315-D318 VanDerWaalsContact CB-OD1 3.31Å; A315-D318 WeakPolarHBondContact CB-OD1 3.41Å; D318-V322 WeakPolarHBondContact O-CB 3.34Å; D318-V322 WeakPolarHBondContact O-CG2 3.37Å; D318-V322 PolarHBondContact O-N 2.94Å
319N71.7Confident66.9Low134 Ų134121.7 Ų121.772%0.71763%0.627SS**Hα-helixtrans-69.5-42.1-175.4-94.5-10.3000113.3D317 M323D317-N319 VanDerWaalsContact C-N 3.31Å; D317-N319 PolarHBondContact O-N 3.16Å; N319-M323 PolarHBondContact O-N 2.87Å; N319-M323 VanDerWaalsContact O-N 3.16Å
320E78.4Confident68.5Low100 Ų100119.3 Ų119.347%0.46763%0.625SS.*Hα-helixtrans-76.9-35.4-179.4-150.3-166.3125.600111.8D317 R324D317-E320 WeakPolarHBondContact OD2-CB 3.39Å; E320-R324 WeakPolarHBondContact O-CB 3Å; E320-R324 WeakPolarHBondContact O-CG 3.14Å; E320-R324 PolarHBondContact O-N 3.34Å; E320-R324 IonicContact OE1-CZ 3Å; E320-R324 IonicContact OE1-NE 2.71Å; E320-R324 PolarHBondContact OE1-NE 3.19Å; E320-R324 VanDerWaalsContact OE1-NE 3.15Å; E320-R324 IonicContact OE1-NH2 3.46Å; E320-R324 PolarHBondContact OE1-NH2 3.39Å; E320-R324 IonicContact OE2-NH2 3.11Å
321E82.2Confident69.3Low115 Ų115119 Ų11954%0.53762%0.62SS.*Hα-helixtrans-69.1-39.9176.3-170.7164.9-172.800112.1D317 R324 A325D317-E321 PolarHBondContact O-N 2.93Å; E321-R324 PolarHBondContact O-N 3.05Å; E321-A325 WeakPolarHBondContact O-CB 3.44Å; E321-A325 PolarHBondContact O-N 3.16Å
322V81.9Confident70.4Confident81 Ų81120.3 Ų120.349%0.49162%0.624SS.*Hα-helixtrans-64.3-44.9174.2170.20000111.2D318 R324 A325 L326D318-V322 WeakPolarHBondContact O-CB 3.34Å; D318-V322 WeakPolarHBondContact O-CG2 3.37Å; D318-V322 PolarHBondContact O-N 2.94Å; V322-R324 PolarHBondContact O-N 3.4Å; V322-A325 PolarHBondContact O-N 3.02Å; V322-L326 HydrophobicContact CG1-CD1 3.96Å; V322-L326 WeakPolarHBondContact O-CG 3.47Å; V322-L326 PolarHBondContact O-N 2.94Å
323M79.9Confident70.9Confident122 Ų122122 Ų12260%0.60162%0.619SS**Hα-helixtrans-61.1-41.7174.7-88-169.1-78.400112.4N319 L327N319-M323 PolarHBondContact O-N 2.87Å; N319-M323 VanDerWaalsContact O-N 3.16Å; M323-L327 PolarHBondContact O-N 3.19Å; M323-L327 VanDerWaalsContact O-N 3.12Å
324R80.2Confident70.8Confident117 Ų117115.1 Ų115.144%0.44261%0.607SS.*Hα-helixtrans-65.1-40.9176.1-79.6-172.7-111.7109.9-4.3112.2D317 E320 E321 V322 L327 I328D317-R324 IonicContact OD2-NH2 3.01Å; E320-R324 WeakPolarHBondContact O-CB 3Å; E320-R324 WeakPolarHBondContact O-CG 3.14Å; E320-R324 PolarHBondContact O-N 3.34Å; E320-R324 IonicContact OE1-CZ 3Å; E320-R324 IonicContact OE1-NE 2.71Å; E320-R324 PolarHBondContact OE1-NE 3.19Å; E320-R324 VanDerWaalsContact OE1-NE 3.15Å; E320-R324 IonicContact OE1-NH2 3.46Å; E320-R324 PolarHBondContact OE1-NH2 3.39Å; E320-R324 IonicContact OE2-NH2 3.11Å; E321-R324 PolarHBondContact O-N 3.05Å; V322-R324 PolarHBondContact O-N 3.4Å; R324-L327 PolarHBondContact O-N 2.97Å; R324-I328 WeakPolarHBondContact O-CD1 3.31Å; R324-I328 VanDerWaalsContact O-CG1 3.25Å; R324-I328 WeakPolarHBondContact O-CG1 3.44Å; R324-I328 PolarHBondContact O-N 2.95Å; R324-I328 VanDerWaalsContact O-N 3.1Å
325A79.8Confident70.4Confident47 Ų47116 Ų11639%0.38861%0.607SS.*Hα-helixtrans-64.3-43.217800000112E321 V322 L327 I328 H329E321-A325 WeakPolarHBondContact O-CB 3.44Å; E321-A325 PolarHBondContact O-N 3.16Å; V322-A325 PolarHBondContact O-N 3.02Å; A325-L327 PolarHBondContact O-N 2.9Å; A325-I328 PolarHBondContact O-N 3.49Å; A325-H329 PolarHBondContact O-CD2 3.12Å; A325-H329 VanDerWaalsContact O-CD2 3.31Å; A325-H329 PolarHBondContact O-N 2.97Å; A325-H329 VanDerWaalsContact O-N 3.14Å
326L79Confident69.8Low117 Ų117118.8 Ų118.861%0.61363%0.63SS**Hα-helixtrans-60.2-43.7175.3-74.6165.7000111.7V322 I328 H329 E330V322-L326 HydrophobicContact CG1-CD1 3.96Å; V322-L326 WeakPolarHBondContact O-CG 3.47Å; V322-L326 PolarHBondContact O-N 2.94Å; L326-I328 VanDerWaalsContact C-N 3.33Å; L326-I328 PolarHBondContact O-N 3.3Å; L326-H329 PolarHBondContact O-N 3.06Å; L326-E330 PolarHBondContact O-N 3.47Å
327L78.9Confident69.2Low118 Ų118115.1 Ų115.162%0.61862%0.62SS**Hα-helixtrans-65-34.4178.7-137.2111000113.1M323 R324 A325 K331M323-L327 PolarHBondContact O-N 3.19Å; M323-L327 VanDerWaalsContact O-N 3.12Å; R324-L327 PolarHBondContact O-N 2.97Å; A325-L327 PolarHBondContact O-N 2.9Å; L327-K331 WeakPolarHBondContact O-CB 3.41Å; L327-K331 PolarHBondContact O-N 2.75Å; L327-K331 VanDerWaalsContact O-N 3.09Å
328I81.1Confident68.3Low111 Ų111118.1 Ų118.157%0.56964%0.641SS**Hα-helixtrans-68-40.6176.3-68.1161.2000110.4R324 A325 L326 K331 K332R324-I328 WeakPolarHBondContact O-CD1 3.31Å; R324-I328 VanDerWaalsContact O-CG1 3.25Å; R324-I328 WeakPolarHBondContact O-CG1 3.44Å; R324-I328 PolarHBondContact O-N 2.95Å; R324-I328 VanDerWaalsContact O-N 3.1Å; A325-I328 PolarHBondContact O-N 3.49Å; L326-I328 VanDerWaalsContact C-N 3.33Å; L326-I328 PolarHBondContact O-N 3.3Å; I328-K331 PolarHBondContact O-N 3.36Å; I328-K332 WeakPolarHBondContact O-CB 3.47Å; I328-K332 PolarHBondContact O-N 3.4Å; I328-K332 VanDerWaalsContact O-N 3.07Å
329H71.4Confident66.7Low143 Ų143119.1 Ų119.166%0.66265%0.65SS**Hα-helixtrans-68.7-35178.5-84-114.4000112.2A325 L326 K332A325-H329 PolarHBondContact O-CD2 3.12Å; A325-H329 VanDerWaalsContact O-CD2 3.31Å; A325-H329 PolarHBondContact O-N 2.97Å; A325-H329 VanDerWaalsContact O-N 3.14Å; L326-H329 PolarHBondContact O-N 3.06Å; H329-K332 PolarHBondContact O-N 2.71Å
330E75.2Confident65.2Low150 Ų150119.2 Ų119.270%0.70166%0.656SS**Hα-helixtrans-68.4-38173.3-160.7-172.7172.600112.3L326 K332 T333L326-E330 PolarHBondContact O-N 3.47Å; E330-K332 VanDerWaalsContact C-N 3.33Å; E330-K332 PolarHBondContact O-N 2.73Å; E330-T333 PolarHBondContact O-OG1 3.15Å
331K68.5Low63.4Low176 Ų176121 Ų12177%0.76567%0.674SS**Hα-helixtrans-76.2-18.8178.7-162.6175.5178.9-179.50113.6L327 I328L327-K331 WeakPolarHBondContact O-CB 3.41Å; L327-K331 PolarHBondContact O-N 2.75Å; L327-K331 VanDerWaalsContact O-N 3.09Å; I328-K331 PolarHBondContact O-N 3.36Å
332K62.7Low61.2Low174 Ų174119.1 Ų119.176%0.75769%0.685SS**THydrogen-bonded Turntrans-85.1-5.6-178.9-168.467.7177.4-170.40113.3I328 H329 E330 P334I328-K332 WeakPolarHBondContact O-CB 3.47Å; I328-K332 PolarHBondContact O-N 3.4Å; I328-K332 VanDerWaalsContact O-N 3.07Å; H329-K332 PolarHBondContact O-N 2.71Å; E330-K332 VanDerWaalsContact C-N 3.33Å; E330-K332 PolarHBondContact O-N 2.73Å; K332-P334 WeakPolarHBondContact O-CD 3.41Å
333T56.8Low59Low109 Ų109118.9 Ų118.967%0.66970%0.699SS**  trans-103.649.3177.454.40000115.1E330 S335E330-T333 PolarHBondContact O-OG1 3.15Å; T333-S335 PolarHBondContact O-N 3.02Å
334P50.8Low56.9Low101 Ų101118.2 Ų118.266%0.65671%0.713SS**  trans-85.1116.7165.233.8-26.1000109.6K332K332-P334 WeakPolarHBondContact O-CD 3.41Å
335S44.6Very low55.1Low114 Ų114116.5 Ų116.580%0.79772%0.724SS**SBendtrans74.3105.5172.8-54.80000116.5T333 S337T333-S335 PolarHBondContact O-N 3.02Å; S335-S337 PolarHBondContact O-N 3.32Å; S335-S337 VanDerWaalsContact O-N 3.14Å
336A47.6Very low53.6Low108 Ų108120.4 Ų120.489%0.89375%0.745SS**  trans-59.7112164.100000110.3
337S48.3Very low52.1Low109 Ų109122.4 Ų122.476%0.76276%0.756SS**  trans-146.578.2161.3-68.40000108S335S335-S337 PolarHBondContact O-N 3.32Å; S335-S337 VanDerWaalsContact O-N 3.14Å
338T42.3Very low50.7Low139 Ų139122.9 Ų122.985%0.85377%0.769SS**  trans-127.991.4156.8-44.60000108
339V40.4Very low49.2Very low116 Ų116120.6 Ų120.670%0.70377%0.772SS**  trans-84.1129.5156.5167.40000106.6V341V339-V341 HydrophobicContact CG1-CG2 3.53Å
340T38.4Very low48.2Very low136 Ų136116.5 Ų116.583%0.83477%0.769SS**  trans-125.4121.4137.552.20000108.1
341V41.9Very low47.4Very low138 Ų138117.3 Ų117.384%0.83678%0.778SS**  trans-76.9120.1177.7175.10000108.2V339V339-V341 HydrophobicContact CG1-CG2 3.53Å
342G36.3Very low46.9Very low76 Ų76113.1 Ų113.178%0.78478%0.776SS**  trans-147.5101.4165.800000108.6
343G33.9Very low46.4Very low75 Ų75109.3 Ų109.377%0.77377%0.772SS**  trans-78.8163-176.400000114.3
344A36.9Very low46.3Very low108 Ų108112 Ų11289%0.89378%0.782SS**  trans88.982.6165.800000118.6
345A42.2Very low46.7Very low81 Ų81112.4 Ų112.467%0.66979%0.787SS**  177.2140.7128.400000109.2L347A345-L347 PolarHBondContact O-N 3.09Å; A345-L347 VanDerWaalsContact O-N 3.12Å
346P49.1Very low47.5Very low130 Ų130115.4 Ų115.484%0.84479%0.789SS**  trans-85.684.4174.934.5-27.7000108.5
347L47.7Very low47.7Very low159 Ų159115.3 Ų115.383%0.83278%0.782SS**  trans-140.468.5167.7-64.1175.3000108.6A345 G349A345-L347 PolarHBondContact O-N 3.09Å; A345-L347 VanDerWaalsContact O-N 3.12Å; L347-G349 PolarHBondContact O-N 3.45Å
348S48Very low48.2Very low128 Ų128119.3 Ų119.390%0.89579%0.788SS**  trans-79.370.7160.4-172.60000108G350S348-G350 PolarHBondContact O-N 3.47Å
349G49.7Very low49.1Very low62 Ų62117.8 Ų117.864%0.63978%0.779SS**  trans-84.573.6161.700000108.1L347 N351L347-G349 PolarHBondContact O-N 3.45Å; G349-N351 PolarHBondContact O-N 2.99Å
350G51.4Low49.9Very low58 Ų58116.7 Ų116.760%0.59878%0.777SS**  trans-59.1128.5153.500000105.7S348 A352S348-G350 PolarHBondContact O-N 3.47Å; G350-A352 PolarHBondContact O-N 3.24Å
351N58.6Low50.8Low166 Ų166118.8 Ų118.889%0.88878%0.777SS**  trans-6472.8178.5-83.251000109.8G349 S353G349-N351 PolarHBondContact O-N 2.99Å; N351-S353 VanDerWaalsContact C-N 3.32Å; N351-S353 PolarHBondContact O-N 3Å; N351-S353 VanDerWaalsContact O-N 3.12Å
352A56.5Low51.3Low88 Ų88117.6 Ų117.673%0.72778%0.775SS**  trans-78.789.8166.900000106.5G350G350-A352 PolarHBondContact O-N 3.24Å
353S52.3Low51.9Low94 Ų94121.1 Ų121.166%0.65777%0.771SS**  trans-122.285.4169.4-1780000106.6N351 S355N351-S353 VanDerWaalsContact C-N 3.32Å; N351-S353 PolarHBondContact O-N 3Å; N351-S353 VanDerWaalsContact O-N 3.12Å; S353-S355 VanDerWaalsContact C-N 3.29Å; S353-S355 PolarHBondContact O-N 3.37Å
354D56.4Low52.8Low165 Ų165125.2 Ų125.288%0.88277%0.77SS**SBendtrans17.756.9163.8-65.7-25.7000117
355S57.8Low53.2Low111 Ų111129.7 Ų129.778%0.77677%0.772SS**  trans-146.451.1175.8-76.70000110.1S353S353-S355 VanDerWaalsContact C-N 3.29Å; S353-S355 PolarHBondContact O-N 3.37Å
356E61Low53.6Low176 Ų176129.4 Ų129.482%0.82277%0.765SS**  trans-117.264.1162.934.8-158.4115.100107.3
357S52.4Low53.7Low107 Ų107128.3 Ų128.375%0.74876%0.758SS**PPolyproline II helixtrans-91.5127.5163.5-62.50000107.5T359S357-T359 PolarHBondContact O-N 3.22Å
358E58Low53.5Low193 Ų193125.9 Ų125.990%0.90275%0.752SS**PPolyproline II helixtrans-50128.5169.5-55.9-100130.600108
359T62.2Low53.2Low107 Ų107131.2 Ų131.266%0.65675%0.753SS**PPolyproline II helixtrans-57140.8177.350.20000109.3S357 E361S357-T359 PolarHBondContact O-N 3.22Å; T359-E361 PolarHBondContact O-N 3.01Å
360S57.8Low52.7Low93 Ų93134.6 Ų134.665%0.6576%0.763SS**SBendtrans-63.540.3-166.3-500000117.3S362S360-S362 PolarHBondContact O-N 3.42Å; S360-S362 VanDerWaalsContact O-N 3.11Å
361E57.1Low51.9Low180 Ų180135.9 Ų135.984%0.84177%0.768SS**THydrogen-bonded Turntrans-72.62.8178.5-53.3-168.7144.700113.3T359T359-E361 PolarHBondContact O-N 3.01Å
362S52.1Low50.8Low113 Ų113132.2 Ų132.279%0.7976%0.761SS**THydrogen-bonded Turntrans-96.91.9-179.656.60000114.8S360 E364S360-S362 PolarHBondContact O-N 3.42Å; S360-S362 VanDerWaalsContact O-N 3.11Å; S362-E364 VanDerWaalsContact C-N 3.28Å; S362-E364 PolarHBondContact O-N 3.13Å
363E49.9Very low50.2Low150 Ų150129.7 Ų129.770%0.70173%0.734SS**SBendtrans-81.379.2175.2-62.2-170.714600110.3
364E51.7Low49.3Very low160 Ų160129 Ų12975%0.74873%0.734SS**  trans60.1100.9152.9-140.7178.8130.800121.2S362 S366S362-E364 VanDerWaalsContact C-N 3.28Å; S362-E364 PolarHBondContact O-N 3.13Å; E364-S366 WeakPolarHBondContact OE1-CB 3.45Å; E364-S366 PolarHBondContact OE1-OG 3.4Å
365E45.3Very low48.2Very low202 Ų202123.6 Ų123.694%0.94471%0.707SS**  trans-98.586.3155-173.8165.4104.600109.4
366S51.8Low46.8Very low75 Ų75122.1 Ų122.152%0.52469%0.694SS.*PPolyproline II helixtrans-89.7125.4174.3-90.90000110.8E364E364-S366 WeakPolarHBondContact OE1-CB 3.45Å; E364-S366 PolarHBondContact OE1-OG 3.4Å
367P50.8Low45.4Very low107 Ų107117.8 Ų117.870%0.69568%0.68SS**PPolyproline II helixtrans-68.3146.3-178.625-32000112.1R369P367-R369 PolarHBondContact O-N 3.27Å; P367-R369 VanDerWaalsContact O-N 3.14Å
368P42.4Very low44.5Very low109 Ų109120.5 Ų120.571%0.70868%0.675SS**PPolyproline II helixtrans-64.8116.2-172.125.7-34000111.5
369R41.7Very low43.1Very low240 Ų240115 Ų11591%0.90667%0.669SS**PPolyproline II helixtrans-94124.8167-75.7-175173.6-148.71.1109.5P367 A371P367-R369 PolarHBondContact O-N 3.27Å; P367-R369 VanDerWaalsContact O-N 3.14Å; R369-A371 PolarHBondContact O-N 3.45Å
370P39.2Very low41.8Very low133 Ų133117.6 Ų117.686%0.86468%0.678SS**PPolyproline II helixtrans-80.6123175.831.1-30000109.5
371A36.1Very low40.5Very low85 Ų85122.3 Ų122.370%0.70269%0.69SS**  trans-135.2116.1159.800000108.4R369 M373R369-A371 PolarHBondContact O-N 3.45Å; A371-M373 PolarHBondContact O-N 3.13Å
372A34.8Very low39.5Very low88 Ų88121.1 Ų121.173%0.72769%0.689SS**  trans-66.3114.9165.300000107.2
373M42.8Very low38.8Very low35 Ų35123.2 Ų123.217%0.17269%0.692CS.*  trans-73.9145.8170.9-57.1-172.48800108.4A371 S411 F436 M439A371-M373 PolarHBondContact O-N 3.13Å; M373-S411 WeakPolarHBondContact O-CB 3.32Å; M373-F436 HydrophobicContact CE-CB 4.26Å; M373-F436 HydrophobicContact CE-CD2 3.81Å; M373-F436 HydrophobicContact SD-CB 4.33Å; M373-M439 HydrophobicContact CE-CE 4.42Å
374A33.3Very low38.2Very low79 Ų79124.8 Ų124.865%0.65370%0.699SS**  trans-121.1101.216900000106.8
375T33.3Very low37.7Very low52 Ų52126.7 Ų126.732%0.31971%0.708SS.*  trans-98.492.9177.6-50.90000107.5T377 S408 S411 Q412T375-T377 PolarHBondContact O-N 3.32Å; T375-S408 VanDerWaalsContact O-O 3.14Å; T375-S411 WeakPolarHBondContact CA-OG 3.44Å; T375-S411 WeakPolarHBondContact CB-OG 3.31Å; T375-S411 PolarHBondContact N-OG 3.34Å; T375-S411 PolarHBondContact O-OG 2.93Å; T375-Q412 WeakPolarHBondContact O-CG 3.39Å; T375-Q412 PolarHBondContact O-NE2 3.48Å
376T30.1Very low37.4Very low81 Ų81123.7 Ų123.750%0.49770%0.698SS.*  trans-66.1120.917734.70000112.5Y378 Q412T376-Y378 PolarHBondContact O-N 2.93Å; T376-Q412 HydrophobicContact CG2-CG 4.15Å
377T30.5Very low37.3Very low85 Ų85129.9 Ų129.952%0.52172%0.719SS.*  trans-70.6120168.737.30000108T375 G379 S408 Q412T375-T377 PolarHBondContact O-N 3.32Å; T377-G379 PolarHBondContact O-N 3.28Å; T377-S408 WeakPolarHBondContact CG2-OG 3.4Å; T377-Q412 VanDerWaalsContact OG1-CD 3.31Å; T377-Q412 PolarHBondContact OG1-NE2 3.44Å; T377-Q412 PolarHBondContact OG1-OE1 2.92Å
378Y32.8Very low37.5Very low164 Ų164133.2 Ų133.264%0.64373%0.725SS**  trans-69.9108.2171.3-64.6-83.9000108.8T376 L380T376-Y378 PolarHBondContact O-N 2.93Å; Y378-L380 PolarHBondContact O-N 3.42Å
379G30.5Very low37.3Very low76 Ų76137.1 Ų137.178%0.78473%0.731SS**  trans-74.810616100000107.7T377 E381T377-G379 PolarHBondContact O-N 3.28Å; G379-E381 PolarHBondContact O-N 3.43Å
380L34.2Very low37.5Very low162 Ų162134 Ų13485%0.84873%0.727SS**  trans-76.3107.3167.9-66.7169.7000107Y378Y378-L380 PolarHBondContact O-N 3.42Å
381E30Very low38.1Very low192 Ų192133.7 Ų133.790%0.89772%0.722SS**  trans-77.6116.4154.1-66.6-175.6160.400105.7G379 D383G379-E381 PolarHBondContact O-N 3.43Å; E381-D383 PolarHBondContact O-N 3.22Å
382D36.5Very low38.7Very low156 Ų156135.1 Ų135.183%0.83472%0.722SS**  trans-41.1117.9175.2-84.9-36.7000111.6
383D38.2Very low39.8Very low157 Ų157134.8 Ų134.884%0.8472%0.719SS**  trans-171.777.2146.4-93.4-35.1000108.4E381E381-D383 PolarHBondContact O-N 3.22Å
384E37.1Very low40.5Very low183 Ų183142.3 Ų142.386%0.85575%0.754SS**  trans-169.7113.5143.8-103.1166.2-161.300108.2D386E384-D386 PolarHBondContact O-N 3Å
385E40Very low42.3Very low199 Ų199141.5 Ų141.593%0.9374%0.739SS**  trans-68.369.2-178.8-65.3175.9158.800112
386D39.3Very low44.5Very low140 Ų140141.2 Ų141.275%0.74974%0.738SS**  trans-117.878.5167.3-76.1-35.7000109.8E384 E388E384-D386 PolarHBondContact O-N 3Å; D386-E388 PolarHBondContact O-N 3.03Å
387E49.8Very low47Very low205 Ų205142.1 Ų142.196%0.95874%0.743SS**THydrogen-bonded Turntrans-68.525.6-175.9-88.1-173.1164.400116.3
388E55.4Low49.6Very low176 Ų176138.2 Ų138.282%0.82272%0.719SS**THydrogen-bonded Turntrans-130.4-1.2-172.4-150.8168.4-177.700119D386D386-E388 PolarHBondContact O-N 3.03Å
389F37.9Very low52Low191 Ų191134.8 Ų134.884%0.83871%0.711SS**  trans-145.495.4173-128-94.3000114.8V391F389-V391 PolarHBondContact O-N 3.37Å
390E45.8Very low54.5Low175 Ų175131.4 Ų131.482%0.81868%0.675SS**  trans-82.4108.1169.5-159.5175-16200108.9V392E390-V392 PolarHBondContact O-N 2.74Å
391V51.4Low56.6Low126 Ų126126.7 Ų126.776%0.76466%0.659SS**  trans-74.692.7174.8-177.20000108.3F389 A393F389-V391 PolarHBondContact O-N 3.37Å; V391-A393 PolarHBondContact O-N 3.42Å; V391-A393 VanDerWaalsContact O-N 3.13Å
392V49.9Very low58.9Low115 Ų115120 Ų12070%0.69764%0.641SS**  trans-76.597.9174.4-174.70000108.6E390E390-V392 PolarHBondContact O-N 2.74Å
393A57Low61Low81 Ų81121 Ų12167%0.66963%0.634SS**  trans-71.5132.9164.100000109.1V391 D395V391-A393 PolarHBondContact O-N 3.42Å; V391-A393 VanDerWaalsContact O-N 3.13Å; A393-D395 PolarHBondContact O-N 3.48Å
394E57.4Low63.2Low194 Ų194118 Ų11891%0.90762%0.623SS**  trans-68.496173.3-71.7-174.8172.200109.3P396E394-P396 WeakPolarHBondContact O-CD 3.48Å
395D70.8Confident65.3Low61 Ų61111.5 Ų111.533%0.32659%0.592SS.*  trans-92.8103.8173-165.615.7000108.9A393 S406 S408A393-D395 PolarHBondContact O-N 3.48Å; D395-S406 WeakPolarHBondContact OD2-CB 3.37Å; D395-S406 PolarHBondContact OD2-OG 3.25Å; D395-S408 PolarHBondContact OD1-N 3.19Å; D395-S408 VanDerWaalsContact OD1-N 3.16Å; D395-S408 VanDerWaalsContact OD2-CB 3.28Å; D395-S408 WeakPolarHBondContact OD2-CB 2.96Å; D395-S408 PolarHBondContact OD2-OG 3.37Å
396P79.3Confident67.5Low46 Ų46103.7 Ų103.730%0.29956%0.559SS.*  trans-66.1152.2-179.427.1-34.6000111.7E394 Y407 M435E394-P396 WeakPolarHBondContact O-CD 3.48Å; P396-Y407 WeakPolarHBondContact O-CB 3.39Å; P396-Y407 PolarHBondContact O-N 2.79Å; P396-M435 HydrophobicContact CG-CE 3.05Å
397T83.3Confident69.6Low100 Ų10097.2 Ų97.261%0.61352%0.524SS*.EExtended strand (participates in β ladder)trans-92.4133.6-179.153.30000111.4H405T397-H405 CarbonylContact C-O 3.56Å; T397-H405 WeakPolarHBondContact CA-O 3.22Å
398V84.6Confident71.1Confident3 Ų387.8 Ų87.82%0.01848%0.481CS..EExtended strand (participates in β ladder)trans-114.5140.9176.6178.50000109.2H405 Y407 Y428 M431V398-H405 PolarHBondContact N-O 2.64Å; V398-H405 PolarHBondContact O-N 3.15Å; V398-Y407 HydrophobicContact CG2-CD2 3.65Å; V398-Y407 HydrophobicContact CG2-CG 4.3Å; V398-Y428 HydrophobicContact CG1-CD2 4.08Å; V398-Y428 HydrophobicContact CG2-CD2 4.16Å; V398-M431 HydrophobicContact CG2-SD 3.66Å
399M83.1Confident72.3Confident93 Ų9382.6 Ų82.646%0.45846%0.457SS..EExtended strand (participates in β ladder)trans-85.5125.7174.1-64.5-68.5-80.500110.2R403 P404 E424M399-R403 WeakPolarHBondContact CA-O 3.46Å; M399-P404 HydrophobicContact SD-CB 3.95Å; M399-E424 HydrophobicContact CB-CG 4.22Å; M399-E424 WeakPolarHBondContact O-CB 3.49Å; M399-E424 WeakPolarHBondContact O-CG 3.22Å
400V83.1Confident74.4Confident5 Ų573.5 Ų73.53%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-122.1114.3171.8178.10000108.1G402 R403 V410 L416 M420V400-G402 PolarHBondContact O-N 3.42Å; V400-R403 PolarHBondContact N-O 2.96Å; V400-R403 PolarHBondContact O-N 3Å; V400-V410 HydrophobicContact CG2-CG1 4.1Å; V400-V410 HydrophobicContact CG2-CG2 3.66Å; V400-L416 HydrophobicContact CG1-CB 4.47Å; V400-L416 WeakPolarHBondContact CG1-O 3.42Å; V400-M420 HydrophobicContact CB-CG 4.19Å; V400-M420 HydrophobicContact CG1-CG 3.79Å; V400-M420 HydrophobicContact CG2-CG 3.86Å; V400-M420 HydrophobicContact CG2-SD 3.96Å
401A79.2Confident76Confident63 Ų6365.7 Ų65.752%0.52138%0.382SS..THydrogen-bonded Turntrans52.640.9-178.500000112.8R403 E424A401-R403 VanDerWaalsContact C-N 3.33Å; A401-R403 PolarHBondContact O-N 2.96Å; A401-E424 PolarHBondContact N-OE1 3.48Å; A401-E424 VanDerWaalsContact N-OE1 3.17Å; A401-E424 PolarHBondContact N-OE2 2.98Å
402G76.9Confident77.4Confident51 Ų5162.4 Ų62.453%0.52636%0.358SS..THydrogen-bonded Turntrans76.110.7-179.700000115.7V400 E424V400-G402 PolarHBondContact O-N 3.42Å; G402-E424 PolarHBondContact N-OE1 2.98Å
403R81.6Confident78.9Confident178 Ų17863.8 Ų63.867%0.67235%0.351SS*.EExtended strand (participates in β ladder)trans-113.8135.2174.6-66.1-176.4-180-172.40.1111.5M399 V400 A401 H405M399-R403 WeakPolarHBondContact CA-O 3.46Å; V400-R403 PolarHBondContact N-O 2.96Å; V400-R403 PolarHBondContact O-N 3Å; A401-R403 VanDerWaalsContact C-N 3.33Å; A401-R403 PolarHBondContact O-N 2.96Å; R403-H405 PolarHBondContact O-CD2 2.92Å; R403-H405 PolarHBondContact O-N 2.85Å
404P83.6Confident79.9Confident93 Ų9364.8 Ų64.860%0.60435%0.351SS*.EExtended strand (participates in β ladder)trans-74.1123.8176.229.7-32.8000110.1M399M399-P404 HydrophobicContact SD-CB 3.95Å
405H81.9Confident81Confident47 Ų4762.9 Ų62.922%0.21834%0.341CS..EExtended strand (participates in β ladder)trans-127.5154.8174.7-74.4-76.1000109.5T397 V398 R403 Q409 V410T397-H405 CarbonylContact C-O 3.56Å; T397-H405 WeakPolarHBondContact CA-O 3.22Å; V398-H405 PolarHBondContact N-O 2.64Å; V398-H405 PolarHBondContact O-N 3.15Å; R403-H405 PolarHBondContact O-CD2 2.92Å; R403-H405 PolarHBondContact O-N 2.85Å; H405-Q409 PolarHBondContact ND1-OE1 2.53Å; H405-V410 HydrophobicContact CB-CG2 3.63Å
406S85.5Confident81.4Confident34 Ų3461.4 Ų61.424%0.23833%0.333CS..EExtended strand (participates in β ladder)trans-76.4146.2175.881.10000111D395 S408 Q409 V410D395-S406 WeakPolarHBondContact OD2-CB 3.37Å; D395-S406 PolarHBondContact OD2-OG 3.25Å; S406-S408 VanDerWaalsContact C-N 3.27Å; S406-S408 PolarHBondContact O-N 3.03Å; S406-S408 PolarHBondContact OG-OG 3.33Å; S406-Q409 PolarHBondContact O-N 3.16Å; S406-Q409 VanDerWaalsContact O-N 3.1Å; S406-Q409 VanDerWaalsContact OG-CB 3.22Å; S406-Q409 WeakPolarHBondContact OG-CB 3.46Å; S406-Q409 PolarHBondContact OG-N 3.38Å; S406-V410 WeakPolarHBondContact O-CG2 3.46Å; S406-V410 PolarHBondContact O-N 3.28Å; S406-V410 VanDerWaalsContact O-N 3.12Å
407Y83.4Confident81.4Confident4 Ų461.2 Ų61.22%0.01633%0.332CS..Hα-helixtrans-56.8-44.3-178.6-178.1-85.9000110.8P396 V398 Q409 V410 S411 Y428 M431 G432 M435P396-Y407 WeakPolarHBondContact O-CB 3.39Å; P396-Y407 PolarHBondContact O-N 2.79Å; V398-Y407 HydrophobicContact CG2-CD2 3.65Å; V398-Y407 HydrophobicContact CG2-CG 4.3Å; Y407-Q409 VanDerWaalsContact C-N 3.34Å; Y407-Q409 PolarHBondContact O-N 3.3Å; Y407-V410 PolarHBondContact O-N 3.21Å; Y407-S411 WeakPolarHBondContact O-CB 3.39Å; Y407-S411 PolarHBondContact O-N 2.74Å; Y407-Y428 AromaticContact CD2-CD2 3.87Å; Y407-Y428 HydrophobicContact CD2-CD2 3.87Å; Y407-Y428 AromaticContact CD2-CE2 3.77Å; Y407-Y428 HydrophobicContact CD2-CE2 3.77Å; Y407-Y428 AromaticContact CE2-CD2 3.59Å; Y407-Y428 HydrophobicContact CE2-CD2 3.59Å; Y407-Y428 AromaticContact CE2-CE2 3.41Å; Y407-Y428 HydrophobicContact CE2-CE2 3.41Å; Y407-Y428 VanDerWaalsContact CE2-CE2 3.41Å; Y407-Y428 HydrophobicContact CE2-CG 4.37Å; Y407-Y428 HydrophobicContact CG-CE2 4.48Å; Y407-Y428 AromaticContact CZ-CE2 3.92Å; Y407-M431 HydrophobicContact CD2-CB 4.12Å; Y407-M431 HydrophobicContact CE2-CB 4.07Å; Y407-G432 WeakPolarHBondContact OH-CA 3.43Å; Y407-M435 HydrophobicContact CD1-CE 3.51Å; Y407-M435 HydrophobicContact CD1-SD 3.39Å; Y407-M435 WeakPolarHBondContact CD1-SD 3.33Å; Y407-M435 HydrophobicContact CD2-CE 4.33Å; Y407-M435 HydrophobicContact CE1-CE 4.16Å; Y407-M435 HydrophobicContact CE1-SD 3.46Å; Y407-M435 WeakPolarHBondContact CE1-SD 3.36Å; Y407-M435 HydrophobicContact CG-CE 3.64Å; Y407-M435 HydrophobicContact CG-SD 4.06Å
408S81.7Confident81.3Confident7 Ų760.6 Ų60.65%0.04934%0.336CS..Hα-helixtrans-60.7-39.2176.371.20000113.5T375 T377 D395 S406 S411 Q412T375-S408 VanDerWaalsContact O-O 3.14Å; T377-S408 WeakPolarHBondContact CG2-OG 3.4Å; D395-S408 PolarHBondContact OD1-N 3.19Å; D395-S408 VanDerWaalsContact OD1-N 3.16Å; D395-S408 VanDerWaalsContact OD2-CB 3.28Å; D395-S408 WeakPolarHBondContact OD2-CB 2.96Å; D395-S408 PolarHBondContact OD2-OG 3.37Å; S406-S408 VanDerWaalsContact C-N 3.27Å; S406-S408 PolarHBondContact O-N 3.03Å; S406-S408 PolarHBondContact OG-OG 3.33Å; S408-S411 WeakPolarHBondContact CA-OG 3.07Å; S408-S411 PolarHBondContact O-N 3.1Å; S408-S411 PolarHBondContact O-OG 3.27Å; S408-Q412 WeakPolarHBondContact O-CG 3.45Å; S408-Q412 PolarHBondContact O-N 3.31Å; S408-Q412 PolarHBondContact O-NE2 3.05Å
409Q81.7Confident81.1Confident67 Ų6766.2 Ų66.231%0.31336%0.362SS..Hα-helixtrans-68.3-37.1-180-178.6177.761.900112.7H405 S406 Y407H405-Q409 PolarHBondContact ND1-OE1 2.53Å; S406-Q409 PolarHBondContact O-N 3.16Å; S406-Q409 VanDerWaalsContact O-N 3.1Å; S406-Q409 VanDerWaalsContact OG-CB 3.22Å; S406-Q409 WeakPolarHBondContact OG-CB 3.46Å; S406-Q409 PolarHBondContact OG-N 3.38Å; Y407-Q409 VanDerWaalsContact C-N 3.34Å; Y407-Q409 PolarHBondContact O-N 3.3Å
410V82.2Confident81Confident0 Ų062.8 Ų62.80%035%0.345CS..Hα-helixtrans-70.5-40177.3178.30000110.4V400 H405 S406 Y407 Q412 R413 L416 V417 M420 Y428V400-V410 HydrophobicContact CG2-CG1 4.1Å; V400-V410 HydrophobicContact CG2-CG2 3.66Å; H405-V410 HydrophobicContact CB-CG2 3.63Å; S406-V410 WeakPolarHBondContact O-CG2 3.46Å; S406-V410 PolarHBondContact O-N 3.28Å; S406-V410 VanDerWaalsContact O-N 3.12Å; Y407-V410 PolarHBondContact O-N 3.21Å; V410-Q412 VanDerWaalsContact C-N 3.32Å; V410-Q412 PolarHBondContact O-N 2.91Å; V410-R413 CarbonylContact O-C 3.55Å; V410-R413 PolarHBondContact O-N 3.12Å; V410-L416 HydrophobicContact CG1-CB 4.43Å; V410-V417 HydrophobicContact CG1-CG2 3.77Å; V410-M420 HydrophobicContact CG1-SD 4.42Å; V410-Y428 HydrophobicContact CB-CE2 4.22Å; V410-Y428 HydrophobicContact CG1-CD2 4.3Å; V410-Y428 HydrophobicContact CG1-CE2 3.87Å
411S79Confident81.3Confident11 Ų1165.3 Ų65.38%0.07736%0.361CS..Hα-helixtrans-62.7-33.9-179.981.90000113.8M373 T375 Y407 S408 Y428M373-S411 WeakPolarHBondContact O-CB 3.32Å; T375-S411 WeakPolarHBondContact CA-OG 3.44Å; T375-S411 WeakPolarHBondContact CB-OG 3.31Å; T375-S411 PolarHBondContact N-OG 3.34Å; T375-S411 PolarHBondContact O-OG 2.93Å; Y407-S411 WeakPolarHBondContact O-CB 3.39Å; Y407-S411 PolarHBondContact O-N 2.74Å; S408-S411 WeakPolarHBondContact CA-OG 3.07Å; S408-S411 PolarHBondContact O-N 3.1Å; S408-S411 PolarHBondContact O-OG 3.27Å; S411-Y428 WeakPolarHBondContact CA-OH 3.37Å; S411-Y428 WeakPolarHBondContact CB-OH 3.38Å
412Q80.3Confident81.5Confident58 Ų5867 Ų6727%0.27137%0.367SS..Hα-helixtrans-79.8-18.9178.7-70.8168.466.800114.2T375 T376 T377 S408 V410 P414T375-Q412 WeakPolarHBondContact O-CG 3.39Å; T375-Q412 PolarHBondContact O-NE2 3.48Å; T376-Q412 HydrophobicContact CG2-CG 4.15Å; T377-Q412 VanDerWaalsContact OG1-CD 3.31Å; T377-Q412 PolarHBondContact OG1-NE2 3.44Å; T377-Q412 PolarHBondContact OG1-OE1 2.92Å; S408-Q412 WeakPolarHBondContact O-CG 3.45Å; S408-Q412 PolarHBondContact O-N 3.31Å; S408-Q412 PolarHBondContact O-NE2 3.05Å; V410-Q412 VanDerWaalsContact C-N 3.32Å; V410-Q412 PolarHBondContact O-N 2.91Å; Q412-P414 WeakPolarHBondContact O-CD 3.24Å
413R81.6Confident81.8Confident143 Ų14371.9 Ų71.954%0.5438%0.376SS..  trans-118.392-173.4-70.1-176.9178.71642109.7V410 E415 L416V410-R413 CarbonylContact O-C 3.55Å; V410-R413 PolarHBondContact O-N 3.12Å; R413-E415 PolarHBondContact O-N 3.23Å; R413-L416 HydrophobicContact CB-CB 4.49Å; R413-L416 HydrophobicContact CB-CD1 3.98Å; R413-L416 HydrophobicContact CB-CG 4.11Å; R413-L416 PolarHBondContact O-N 2.87Å
414P77.3Confident81.9Confident103 Ų10364.8 Ų64.867%0.66935%0.35SS*.Hα-helixtrans-55.8-24179.5-24.833.1000114Q412 A418Q412-P414 WeakPolarHBondContact O-CD 3.24Å; P414-A418 PolarHBondContact O-N 3.36Å
415E81.8Confident82Confident153 Ų15365.5 Ų65.572%0.71534%0.344SS*.Hα-helixtrans-68.6-29177.6-61-175175.500113.8R413 Q419R413-E415 PolarHBondContact O-N 3.23Å; E415-Q419 WeakPolarHBondContact O-CG 3.45Å; E415-Q419 PolarHBondContact O-NE2 2.96Å
416L79.3Confident82.1Confident30 Ų3070.1 Ų70.116%0.15737%0.366CS..Hα-helixtrans-78.5-37177.4-67.4177.8000111V400 V410 R413 A418 Q419 M420V400-L416 HydrophobicContact CG1-CB 4.47Å; V400-L416 WeakPolarHBondContact CG1-O 3.42Å; V410-L416 HydrophobicContact CG1-CB 4.43Å; R413-L416 HydrophobicContact CB-CB 4.49Å; R413-L416 HydrophobicContact CB-CD1 3.98Å; R413-L416 HydrophobicContact CB-CG 4.11Å; R413-L416 PolarHBondContact O-N 2.87Å; L416-A418 PolarHBondContact O-N 3.3Å; L416-Q419 PolarHBondContact O-N 3.43Å; L416-Q419 VanDerWaalsContact O-N 3.12Å; L416-M420 PolarHBondContact O-N 3.31Å
417V78.4Confident82.1Confident43 Ų4372.1 Ų72.126%0.26138%0.376SS..Hα-helixtrans-61-35.4175.6176.50000111.6V410 Q419 M420V410-V417 HydrophobicContact CG1-CG2 3.77Å; V417-Q419 VanDerWaalsContact C-N 3.31Å; V417-Q419 PolarHBondContact O-N 3.34Å; V417-M420 HydrophobicContact CB-CE 4.08Å; V417-M420 HydrophobicContact CG1-CE 3.72Å; V417-M420 HydrophobicContact CG2-CE 4.33Å
418A81.8Confident82.1Confident86 Ų8672.5 Ų72.571%0.71138%0.378SS*.THydrogen-bonded Turntrans-74-19178.400000114.1P414 L416P414-A418 PolarHBondContact O-N 3.36Å; L416-A418 PolarHBondContact O-N 3.3Å
419Q80.3Confident82.3Confident121 Ų12176.4 Ų76.457%0.56540%0.397SS*.THydrogen-bonded Turntrans-93.7-4-179.6-69.217450.600113.1E415 L416 V417E415-Q419 WeakPolarHBondContact O-CG 3.45Å; E415-Q419 PolarHBondContact O-NE2 2.96Å; L416-Q419 PolarHBondContact O-N 3.43Å; L416-Q419 VanDerWaalsContact O-N 3.12Å; V417-Q419 VanDerWaalsContact C-N 3.31Å; V417-Q419 PolarHBondContact O-N 3.34Å
420M80.4Confident82.5Confident21 Ų2175.9 Ų75.910%0.10341%0.405CS..SBendtrans-69.2146.6178.2-66.4-167-67.400112V400 V410 L416 V417 E424 K425 Y428V400-M420 HydrophobicContact CB-CG 4.19Å; V400-M420 HydrophobicContact CG1-CG 3.79Å; V400-M420 HydrophobicContact CG2-CG 3.86Å; V400-M420 HydrophobicContact CG2-SD 3.96Å; V410-M420 HydrophobicContact CG1-SD 4.42Å; L416-M420 PolarHBondContact O-N 3.31Å; V417-M420 HydrophobicContact CB-CE 4.08Å; V417-M420 HydrophobicContact CG1-CE 3.72Å; V417-M420 HydrophobicContact CG2-CE 4.33Å; M420-E424 HydrophobicContact CB-CB 4.35Å; M420-K425 HydrophobicContact CE-CB 4.38Å; M420-K425 HydrophobicContact CE-CG 4.36Å; M420-Y428 HydrophobicContact CE-CD1 3.9Å; M420-Y428 HydrophobicContact CE-CG 3.91Å; M420-Y428 HydrophobicContact SD-CG 4.32Å
421T88.9Confident82.5Confident59 Ų5978.6 Ų78.636%0.36242%0.418SS..  trans-69.1157.2166.460.50000110.6E423 E424 K425T421-E423 PolarHBondContact O-N 3.4Å; T421-E424 PolarHBondContact N-OE2 3.39Å; T421-E424 PolarHBondContact O-N 3.33Å; T421-E424 WeakPolarHBondContact OG1-CB 3.37Å; T421-E424 WeakPolarHBondContact OG1-CG 3.48Å; T421-E424 PolarHBondContact OG1-N 3.35Å; T421-E424 PolarHBondContact OG1-OE2 3.38Å; T421-K425 WeakPolarHBondContact O-CB 3.2Å; T421-K425 PolarHBondContact O-N 3.19Å
422P83.8Confident82.7Confident99 Ų9978.5 Ų78.564%0.64342%0.418SS*.Hα-helixtrans-59.8-34179.222.7-33.2000112.8K425 E426P422-K425 PolarHBondContact O-N 3.34Å; P422-E426 PolarHBondContact O-N 3.15Å
423E83.1Confident82.6Confident152 Ų15282 Ų8271%0.7143%0.429SS*.Hα-helixtrans-68.9-47.1176.9-63.6169.6-168.900111.5T421 K425 E426 V427T421-E423 PolarHBondContact O-N 3.4Å; E423-K425 PolarHBondContact O-N 3.22Å; E423-E426 PolarHBondContact O-N 2.97Å; E423-V427 PolarHBondContact O-N 3.39Å
424E85.1Confident82.4Confident29 Ų2982.3 Ų82.314%0.13643%0.43CS..Hα-helixtrans-61.8-32.7174.7-73.2167.315600112M399 A401 G402 M420 T421 V427 Y428M399-E424 HydrophobicContact CB-CG 4.22Å; M399-E424 WeakPolarHBondContact O-CB 3.49Å; M399-E424 WeakPolarHBondContact O-CG 3.22Å; A401-E424 PolarHBondContact N-OE1 3.48Å; A401-E424 VanDerWaalsContact N-OE1 3.17Å; A401-E424 PolarHBondContact N-OE2 2.98Å; G402-E424 PolarHBondContact N-OE1 2.98Å; M420-E424 HydrophobicContact CB-CB 4.35Å; T421-E424 PolarHBondContact N-OE2 3.39Å; T421-E424 PolarHBondContact O-N 3.33Å; T421-E424 WeakPolarHBondContact OG1-CB 3.37Å; T421-E424 WeakPolarHBondContact OG1-CG 3.48Å; T421-E424 PolarHBondContact OG1-N 3.35Å; T421-E424 PolarHBondContact OG1-OE2 3.38Å; E424-V427 PolarHBondContact O-N 3.21Å; E424-Y428 WeakPolarHBondContact O-CB 3.38Å; E424-Y428 PolarHBondContact O-N 3.38Å
425K84.4Confident82.6Confident109 Ų10979 Ų7947%0.47441%0.406SS..Hα-helixtrans-69-35.8177.7-176.1179.7177.4-176.50112.4M420 T421 P422 E423 Y428 I429M420-K425 HydrophobicContact CE-CB 4.38Å; M420-K425 HydrophobicContact CE-CG 4.36Å; T421-K425 WeakPolarHBondContact O-CB 3.2Å; T421-K425 PolarHBondContact O-N 3.19Å; P422-K425 PolarHBondContact O-N 3.34Å; E423-K425 PolarHBondContact O-N 3.22Å; K425-Y428 PolarHBondContact O-N 3.43Å; K425-I429 HydrophobicContact CG-CD1 4.11Å; K425-I429 WeakPolarHBondContact O-CD1 3.15Å; K425-I429 VanDerWaalsContact O-CG1 3.24Å; K425-I429 WeakPolarHBondContact O-CG1 3.28Å; K425-I429 PolarHBondContact O-N 3.18Å
426E84.8Confident82.3Confident143 Ų14376.3 Ų76.367%0.66839%0.393SS*.Hα-helixtrans-66-42.5174.7-73.1180177.100111P422 E423 Y428 I429 A430P422-E426 PolarHBondContact O-N 3.15Å; E423-E426 PolarHBondContact O-N 2.97Å; E426-Y428 PolarHBondContact O-N 2.82Å; E426-I429 PolarHBondContact O-N 2.68Å; E426-A430 PolarHBondContact O-N 3Å
427V85.1Confident82.1Confident77 Ų7779.2 Ų79.247%0.46741%0.405SS..Hα-helixtrans-61.8-43174178.60000111.4E423 E424 I429 A430 M431E423-V427 PolarHBondContact O-N 3.39Å; E424-V427 PolarHBondContact O-N 3.21Å; V427-I429 VanDerWaalsContact C-N 3.33Å; V427-I429 PolarHBondContact O-N 3.44Å; V427-A430 PolarHBondContact O-N 2.98Å; V427-M431 HydrophobicContact CG1-CE 4.44Å; V427-M431 HydrophobicContact CG1-SD 4.23Å; V427-M431 WeakPolarHBondContact O-CB 3.46Å; V427-M431 WeakPolarHBondContact O-CG 3.22Å; V427-M431 PolarHBondContact O-N 2.9Å
428Y84.3Confident81.9Confident12 Ų1282.5 Ų82.55%0.04742%0.421CS..Hα-helixtrans-60.2-40.9175.4178.1-101.4000112.4V398 Y407 V410 S411 M420 E424 K425 E426 G432V398-Y428 HydrophobicContact CG1-CD2 4.08Å; V398-Y428 HydrophobicContact CG2-CD2 4.16Å; Y407-Y428 AromaticContact CD2-CD2 3.87Å; Y407-Y428 HydrophobicContact CD2-CD2 3.87Å; Y407-Y428 AromaticContact CD2-CE2 3.77Å; Y407-Y428 HydrophobicContact CD2-CE2 3.77Å; Y407-Y428 AromaticContact CE2-CD2 3.59Å; Y407-Y428 HydrophobicContact CE2-CD2 3.59Å; Y407-Y428 AromaticContact CE2-CE2 3.41Å; Y407-Y428 HydrophobicContact CE2-CE2 3.41Å; Y407-Y428 VanDerWaalsContact CE2-CE2 3.41Å; Y407-Y428 HydrophobicContact CE2-CG 4.37Å; Y407-Y428 HydrophobicContact CG-CE2 4.48Å; Y407-Y428 AromaticContact CZ-CE2 3.92Å; V410-Y428 HydrophobicContact CB-CE2 4.22Å; V410-Y428 HydrophobicContact CG1-CD2 4.3Å; V410-Y428 HydrophobicContact CG1-CE2 3.87Å; S411-Y428 WeakPolarHBondContact CA-OH 3.37Å; S411-Y428 WeakPolarHBondContact CB-OH 3.38Å; M420-Y428 HydrophobicContact CE-CD1 3.9Å; M420-Y428 HydrophobicContact CE-CG 3.91Å; M420-Y428 HydrophobicContact SD-CG 4.32Å; E424-Y428 WeakPolarHBondContact O-CB 3.38Å; E424-Y428 PolarHBondContact O-N 3.38Å; K425-Y428 PolarHBondContact O-N 3.43Å; E426-Y428 PolarHBondContact O-N 2.82Å; Y428-G432 PolarHBondContact O-N 3.12Å
429I85.4Confident81.2Confident88 Ų8883.5 Ų83.545%0.45141%0.413SS..Hα-helixtrans-69.7-40.5178-67.4163.7000111.2K425 E426 V427 G432 R433K425-I429 HydrophobicContact CG-CD1 4.11Å; K425-I429 WeakPolarHBondContact O-CD1 3.15Å; K425-I429 VanDerWaalsContact O-CG1 3.24Å; K425-I429 WeakPolarHBondContact O-CG1 3.28Å; K425-I429 PolarHBondContact O-N 3.18Å; E426-I429 PolarHBondContact O-N 2.68Å; V427-I429 VanDerWaalsContact C-N 3.33Å; V427-I429 PolarHBondContact O-N 3.44Å; I429-G432 PolarHBondContact O-N 2.83Å; I429-R433 PolarHBondContact O-N 3.06Å
430A84.6Confident80.3Confident57 Ų5782.1 Ų82.147%0.47141%0.405SS..Hα-helixtrans-63.4-44.9176.700000111.6E426 V427 G432 R433 R434E426-A430 PolarHBondContact O-N 3Å; V427-A430 PolarHBondContact O-N 2.98Å; A430-G432 VanDerWaalsContact C-N 3.35Å; A430-G432 PolarHBondContact O-N 2.95Å; A430-R433 WeakPolarHBondContact O-CB 3.36Å; A430-R433 PolarHBondContact O-N 3.17Å; A430-R434 PolarHBondContact O-N 2.98Å; A430-R434 VanDerWaalsContact O-N 3.09Å
431M82.8Confident78.6Confident57 Ų5788 Ų8828%0.28144%0.437SS..Hα-helixtrans-62.2-40.9174.6-76.6-178.3158.800112.3V398 Y407 V427 R433 R434 M435V398-M431 HydrophobicContact CG2-SD 3.66Å; Y407-M431 HydrophobicContact CD2-CB 4.12Å; Y407-M431 HydrophobicContact CE2-CB 4.07Å; V427-M431 HydrophobicContact CG1-CE 4.44Å; V427-M431 HydrophobicContact CG1-SD 4.23Å; V427-M431 WeakPolarHBondContact O-CB 3.46Å; V427-M431 WeakPolarHBondContact O-CG 3.22Å; V427-M431 PolarHBondContact O-N 2.9Å; M431-R433 VanDerWaalsContact C-N 3.31Å; M431-R433 PolarHBondContact O-N 3.49Å; M431-R434 PolarHBondContact O-N 3.45Å; M431-M435 PolarHBondContact O-N 3.04Å
432G82.6Confident78.1Confident8 Ų889.5 Ų89.58%0.08244%0.441CS..Hα-helixtrans-64.6-34.5176.100000113.7Y407 Y428 I429 A430 F436Y407-G432 WeakPolarHBondContact OH-CA 3.43Å; Y428-G432 PolarHBondContact O-N 3.12Å; I429-G432 PolarHBondContact O-N 2.83Å; A430-G432 VanDerWaalsContact C-N 3.35Å; A430-G432 PolarHBondContact O-N 2.95Å; G432-F436 WeakPolarHBondContact O-CB 3.47Å; G432-F436 PolarHBondContact O-N 3.24Å
433R78.8Confident77.8Confident131 Ų13189 Ų8949%0.49443%0.43SS..Hα-helixtrans-65.2-48173.5-167.3-174.2-56.1177.15.2111.3I429 A430 M431 M435 F436 E437I429-R433 PolarHBondContact O-N 3.06Å; A430-R433 WeakPolarHBondContact O-CB 3.36Å; A430-R433 PolarHBondContact O-N 3.17Å; M431-R433 VanDerWaalsContact C-N 3.31Å; M431-R433 PolarHBondContact O-N 3.49Å; R433-M435 VanDerWaalsContact C-N 3.31Å; R433-M435 PolarHBondContact O-N 3.47Å; R433-F436 WeakPolarHBondContact O-CB 3.5Å; R433-F436 PolarHBondContact O-N 3.28Å; R433-E437 WeakPolarHBondContact CD-OE1 3.43Å; R433-E437 VanDerWaalsContact CG-OE1 3.31Å; R433-E437 WeakPolarHBondContact CG-OE1 3.38Å; R433-E437 WeakPolarHBondContact O-CG 3.44Å; R433-E437 PolarHBondContact O-N 3.06Å
434R78.5Confident77.5Confident150 Ų15085.5 Ų85.557%0.56641%0.414SS*.Hα-helixtrans-58-41.9177.4-174177.7-1791381112.5A430 M431 D438A430-R434 PolarHBondContact O-N 2.98Å; A430-R434 VanDerWaalsContact O-N 3.09Å; M431-R434 PolarHBondContact O-N 3.45Å; R434-D438 WeakPolarHBondContact O-CB 3.12Å; R434-D438 PolarHBondContact O-N 3.14Å
435M79.8Confident77Confident34 Ų3488.8 Ų88.817%0.16743%0.431CS..Hα-helixtrans-68.4-35.2175.1-74.8-167.7-177.800113.4P396 Y407 M431 R433 M439P396-M435 HydrophobicContact CG-CE 3.05Å; Y407-M435 HydrophobicContact CD1-CE 3.51Å; Y407-M435 HydrophobicContact CD1-SD 3.39Å; Y407-M435 WeakPolarHBondContact CD1-SD 3.33Å; Y407-M435 HydrophobicContact CD2-CE 4.33Å; Y407-M435 HydrophobicContact CE1-CE 4.16Å; Y407-M435 HydrophobicContact CE1-SD 3.46Å; Y407-M435 WeakPolarHBondContact CE1-SD 3.36Å; Y407-M435 HydrophobicContact CG-CE 3.64Å; Y407-M435 HydrophobicContact CG-SD 4.06Å; M431-M435 PolarHBondContact O-N 3.04Å; R433-M435 VanDerWaalsContact C-N 3.31Å; R433-M435 PolarHBondContact O-N 3.47Å; M435-M439 HydrophobicContact CB-CE 4.13Å; M435-M439 WeakPolarHBondContact O-CB 3.41Å; M435-M439 WeakPolarHBondContact O-CE 3.39Å; M435-M439 PolarHBondContact O-N 3.11Å; M435-M439 VanDerWaalsContact O-N 3.16Å
436F76.5Confident76.6Confident97 Ų9787.6 Ų87.643%0.42543%0.428SS..Hα-helixtrans-69.1-43.5178.2-174.1-90.6000110.8M373 G432 R433 M439 F440M373-F436 HydrophobicContact CE-CB 4.26Å; M373-F436 HydrophobicContact CE-CD2 3.81Å; M373-F436 HydrophobicContact SD-CB 4.33Å; G432-F436 WeakPolarHBondContact O-CB 3.47Å; G432-F436 PolarHBondContact O-N 3.24Å; R433-F436 WeakPolarHBondContact O-CB 3.5Å; R433-F436 PolarHBondContact O-N 3.28Å; F436-M439 PolarHBondContact O-N 3.09Å; F436-F440 HydrophobicContact CD1-CD2 4.49Å; F436-F440 AromaticContact CD2-CD2 3.5Å; F436-F440 HydrophobicContact CD2-CD2 3.5Å; F436-F440 VanDerWaalsContact CD2-CD2 3.5Å; F436-F440 AromaticContact CD2-CE2 3.93Å; F436-F440 HydrophobicContact CD2-CE2 3.93Å; F436-F440 HydrophobicContact CD2-CG 4.46Å; F436-F440 HydrophobicContact CE1-CB 4.24Å; F436-F440 HydrophobicContact CE1-CD2 4.49Å; F436-F440 AromaticContact CE2-CD2 3.49Å; F436-F440 HydrophobicContact CE2-CD2 3.49Å; F436-F440 VanDerWaalsContact CE2-CD2 3.49Å; F436-F440 AromaticContact CE2-CE2 3.96Å; F436-F440 HydrophobicContact CE2-CE2 3.96Å; F436-F440 HydrophobicContact CE2-CG 4.11Å; F436-F440 HydrophobicContact CG-CD2 4.03Å; F436-F440 HydrophobicContact CZ-CB 4.21Å; F436-F440 HydrophobicContact CZ-CD2 4.02Å; F436-F440 HydrophobicContact CZ-CG 4.22Å; F436-F440 WeakPolarHBondContact O-CB 3.43Å; F436-F440 WeakPolarHBondContact O-CD2 3.09Å; F436-F440 PolarHBondContact O-N 3.49Å
437E75.2Confident76Confident91 Ų9183.9 Ų83.943%0.42541%0.412SS..Hα-helixtrans-58.2-51.5172.9-72165.2-173.400110.1R433 M439 F440 D441R433-E437 WeakPolarHBondContact CD-OE1 3.43Å; R433-E437 VanDerWaalsContact CG-OE1 3.31Å; R433-E437 WeakPolarHBondContact CG-OE1 3.38Å; R433-E437 WeakPolarHBondContact O-CG 3.44Å; R433-E437 PolarHBondContact O-N 3.06Å; E437-M439 VanDerWaalsContact C-N 3.27Å; E437-M439 PolarHBondContact O-N 2.96Å; E437-F440 PolarHBondContact O-N 3.13Å; E437-D441 PolarHBondContact O-N 2.73Å
438D73.4Confident75.4Confident111 Ų11184.4 Ų84.459%0.59441%0.408SS*.Hα-helixtrans-60.2-31.6-179.3-170.962.8000114.4R434R434-D438 WeakPolarHBondContact O-CB 3.12Å; R434-D438 PolarHBondContact O-N 3.14Å
439M68.1Low74.7Confident108 Ų10889.9 Ų89.953%0.53244%0.436SS..Hα-helixtrans-92.1-27-178-79.1-169.9-84.300114.8M373 M435 F436 E437M373-M439 HydrophobicContact CE-CE 4.42Å; M435-M439 HydrophobicContact CB-CE 4.13Å; M435-M439 WeakPolarHBondContact O-CB 3.41Å; M435-M439 WeakPolarHBondContact O-CE 3.39Å; M435-M439 PolarHBondContact O-N 3.11Å; M435-M439 VanDerWaalsContact O-N 3.16Å; F436-M439 PolarHBondContact O-N 3.09Å; E437-M439 VanDerWaalsContact C-N 3.27Å; E437-M439 PolarHBondContact O-N 2.96Å
440F60.6Low73.8Confident92 Ų9290.1 Ų90.140%0.40444%0.435SS..Hα-helixtrans-123.5-21.9-167.6-64.5-71.4000115.6L231 F436 E437L231-F440 HydrophobicContact CD1-CE1 4.2Å; L231-F440 HydrophobicContact CD1-CE2 4.23Å; L231-F440 HydrophobicContact CD1-CZ 3.49Å; L231-F440 VanDerWaalsContact CD1-CZ 3.49Å; L231-F440 HydrophobicContact CD2-CE1 3.43Å; L231-F440 VanDerWaalsContact CD2-CE1 3.43Å; L231-F440 HydrophobicContact CD2-CZ 3.39Å; L231-F440 HydrophobicContact CG-CE1 4.45Å; L231-F440 HydrophobicContact CG-CZ 4.08Å; F436-F440 HydrophobicContact CD1-CD2 4.49Å; F436-F440 AromaticContact CD2-CD2 3.5Å; F436-F440 HydrophobicContact CD2-CD2 3.5Å; F436-F440 VanDerWaalsContact CD2-CD2 3.5Å; F436-F440 AromaticContact CD2-CE2 3.93Å; F436-F440 HydrophobicContact CD2-CE2 3.93Å; F436-F440 HydrophobicContact CD2-CG 4.46Å; F436-F440 HydrophobicContact CE1-CB 4.24Å; F436-F440 HydrophobicContact CE1-CD2 4.49Å; F436-F440 AromaticContact CE2-CD2 3.49Å; F436-F440 HydrophobicContact CE2-CD2 3.49Å; F436-F440 VanDerWaalsContact CE2-CD2 3.49Å; F436-F440 AromaticContact CE2-CE2 3.96Å; F436-F440 HydrophobicContact CE2-CE2 3.96Å; F436-F440 HydrophobicContact CE2-CG 4.11Å; F436-F440 HydrophobicContact CG-CD2 4.03Å; F436-F440 HydrophobicContact CZ-CB 4.21Å; F436-F440 HydrophobicContact CZ-CD2 4.02Å; F436-F440 HydrophobicContact CZ-CG 4.22Å; F436-F440 WeakPolarHBondContact O-CB 3.43Å; F436-F440 WeakPolarHBondContact O-CD2 3.09Å; F436-F440 PolarHBondContact O-N 3.49Å; E437-F440 PolarHBondContact O-N 3.13Å
441D44.6Very low72.8Confident145 Ų14593.1 Ų93.178%0.77543%0.431SS*.  trans-109.50175.3-73.6-39.7000110.8N254 E437N254-D441 PolarHBondContact ND2-OXT 3.23Å; E437-D441 PolarHBondContact O-N 2.73Å

Retrieved 441 of 441 residues in 334.3 ms (Link to these results)

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