A0A077Z3V5_TRITR Loading...

K trans domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3V5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 622 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
1M34.7Very low60.8Low211 Ų211117.6 Ų117.6100%1.03965%0.654SS**  0107.40-89.2171.3142.400107.1Y517M1-Y517 HydrophobicContact CE-CE2 4.26Å
2S31.6Very low62.7Low110 Ų110111.2 Ų111.277%0.76962%0.616SS**  trans-58.4137.3169.936.90000109.6D4S2-D4 PolarHBondContact O-N 3.14Å
3T39.6Very low64.7Low117 Ų117103.4 Ų103.472%0.71857%0.574SS**SBendtrans-762.2-178.235.20000114N5T3-N5 PolarHBondContact O-N 2.82Å
4D43.2Very low66.4Low136 Ų136100.6 Ų100.673%0.72756%0.557SS**THydrogen-bonded Turntrans-96.516.6-159.5-63.6-21.3000115.8S2S2-D4 PolarHBondContact O-N 3.14Å
5N49.8Very low67.6Low136 Ų13695.8 Ų95.873%0.72754%0.536SS*.THydrogen-bonded Turntrans-14838.3177.7-109.2-14.7000114.3T3 Q7T3-N5 PolarHBondContact O-N 2.82Å; N5-Q7 PolarHBondContact O-N 2.81Å; N5-Q7 VanDerWaalsContact O-N 3.1Å
6K57.1Low68.8Low190 Ų19089.8 Ų89.883%0.82650%0.502SS*.  trans-72.1105.7168.5-77.3-175.5179.5177.30108.9S8K6-S8 PolarHBondContact O-N 2.83Å
7Q66.4Low70Confident105 Ų10585 Ų8549%0.49148%0.475SS..  trans-50139.4169.4-68.5175.812.600109.4N5 I12 E333N5-Q7 PolarHBondContact O-N 2.81Å; N5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-I12 HydrophobicContact CB-CD1 3.92Å; Q7-I12 HydrophobicContact CB-CG1 3.61Å; Q7-I12 WeakPolarHBondContact O-CD1 3.43Å; Q7-E333 PolarHBondContact NE2-OE1 3.47Å
8S84.3Confident70.8Confident72 Ų7280.3 Ų80.350%0.50345%0.449SS..  trans-61.4144.1-178.269.50000110.2K6 P10 A11 I12K6-S8 PolarHBondContact O-N 2.83Å; S8-P10 VanDerWaalsContact C-CD 3.45Å; S8-P10 VanDerWaalsContact C-N 3.28Å; S8-A11 WeakPolarHBondContact O-CA 3.35Å; S8-A11 WeakPolarHBondContact O-CB 3.39Å; S8-A11 PolarHBondContact O-N 2.9Å; S8-A11 WeakPolarHBondContact OG-CB 3.29Å; S8-A11 PolarHBondContact OG-N 2.89Å; S8-I12 PolarHBondContact O-N 3.34Å
9L87Confident71.3Confident78 Ų7877.8 Ų77.841%0.40844%0.435SS..Hα-helixtrans-51.1-42.4178.3170.168.8000112.8A11 I12 T13 F241 P242L9-A11 VanDerWaalsContact C-N 3.35Å; L9-A11 PolarHBondContact O-N 3.25Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-T13 WeakPolarHBondContact O-CB 3.18Å; L9-T13 PolarHBondContact O-N 3.16Å; L9-T13 PolarHBondContact O-OG1 2.87Å; L9-F241 HydrophobicContact CD1-CD1 3.7Å; L9-F241 HydrophobicContact CD1-CE1 3.89Å; L9-F241 HydrophobicContact CD2-CD1 4.34Å; L9-F241 HydrophobicContact CD2-CE1 3.7Å; L9-F241 HydrophobicContact CG-CE1 4.41Å; L9-P242 HydrophobicContact CD1-CG 3.95Å
10P88.7Confident71.9Confident94 Ų9474 Ų7461%0.6141%0.414SS*.Hα-helixtrans-61.1-39.6173.9-24.935.6000113.3S8 T13 L14S8-P10 VanDerWaalsContact C-CD 3.45Å; S8-P10 VanDerWaalsContact C-N 3.28Å; P10-T13 PolarHBondContact O-N 3.28Å; P10-L14 VanDerWaalsContact O-CB 3.24Å; P10-L14 WeakPolarHBondContact O-CB 3.33Å; P10-L14 PolarHBondContact O-N 2.86Å
11A86.5Confident72.8Confident45 Ų4570.5 Ų70.537%0.37240%0.395SS..Hα-helixtrans-65.9-43.5178.700000111.8S8 L9 L14 A15S8-A11 WeakPolarHBondContact O-CA 3.35Å; S8-A11 WeakPolarHBondContact O-CB 3.39Å; S8-A11 PolarHBondContact O-N 2.9Å; S8-A11 WeakPolarHBondContact OG-CB 3.29Å; S8-A11 PolarHBondContact OG-N 2.89Å; L9-A11 VanDerWaalsContact C-N 3.35Å; L9-A11 PolarHBondContact O-N 3.25Å; A11-L14 PolarHBondContact O-N 3.45Å; A11-A15 WeakPolarHBondContact O-CB 3.08Å; A11-A15 PolarHBondContact O-N 3.43Å
12I84.1Confident75.3Confident40 Ų4060.5 Ų60.521%0.20535%0.345CS..Hα-helixtrans-67-38.9176.4-57.3173000110.6Q7 S8 L9 A15 A16 F238 P242Q7-I12 HydrophobicContact CB-CD1 3.92Å; Q7-I12 HydrophobicContact CB-CG1 3.61Å; Q7-I12 WeakPolarHBondContact O-CD1 3.43Å; S8-I12 PolarHBondContact O-N 3.34Å; L9-I12 PolarHBondContact O-N 3.11Å; I12-A15 PolarHBondContact O-N 2.96Å; I12-A16 WeakPolarHBondContact O-CB 3.25Å; I12-A16 PolarHBondContact O-N 2.96Å; I12-F238 HydrophobicContact CG2-CB 4.29Å; I12-F238 HydrophobicContact CG2-CD1 4.31Å; I12-P242 HydrophobicContact CB-CB 4.42Å; I12-P242 HydrophobicContact CB-CG 4.33Å; I12-P242 HydrophobicContact CG2-CB 3.8Å; I12-P242 HydrophobicContact CG2-CG 3.72Å
13T88.3Confident78.1Confident10 Ų1055.2 Ų55.26%0.06131%0.309CS..Hα-helixtrans-65-43.4177.4-56.10000111L9 P10 A16 I17 L245 A246L9-T13 WeakPolarHBondContact O-CB 3.18Å; L9-T13 PolarHBondContact O-N 3.16Å; L9-T13 PolarHBondContact O-OG1 2.87Å; P10-T13 PolarHBondContact O-N 3.28Å; T13-A16 WeakPolarHBondContact O-CB 3.32Å; T13-A16 PolarHBondContact O-N 3Å; T13-I17 WeakPolarHBondContact O-CG1 3.37Å; T13-I17 PolarHBondContact O-N 3.33Å; T13-L245 HydrophobicContact CG2-CB 4.11Å; T13-L245 HydrophobicContact CG2-CD2 4.02Å; T13-L245 HydrophobicContact CG2-CG 4.07Å; T13-A246 HydrophobicContact CG2-CB 3.97Å
14L89.2Confident80.6Confident64 Ų6450 Ų5034%0.33528%0.276SS..Hα-helixtrans-61.9-45174.9-177.955000110.7P10 A11 A16 I17 G18 A170 L174P10-L14 VanDerWaalsContact O-CB 3.24Å; P10-L14 WeakPolarHBondContact O-CB 3.33Å; P10-L14 PolarHBondContact O-N 2.86Å; A11-L14 PolarHBondContact O-N 3.45Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 2.95Å; L14-I17 WeakPolarHBondContact O-CB 3.4Å; L14-I17 PolarHBondContact O-N 2.93Å; L14-G18 PolarHBondContact O-N 2.92Å; L14-G18 VanDerWaalsContact O-N 3.07Å; L14-A170 HydrophobicContact CD1-CB 3.96Å; L14-A170 HydrophobicContact CG-CB 3.73Å; L14-A170 WeakPolarHBondContact O-CB 3.15Å; L14-L174 HydrophobicContact CD1-CB 4.28Å; L14-L174 HydrophobicContact CD1-CD2 3.99Å
15A84.5Confident83Confident29 Ų2943.5 Ų43.524%0.2424%0.241CC..Hα-helixtrans-59.8-38.8173.600000112.5A11 I12 G18 V19 F238A11-A15 WeakPolarHBondContact O-CB 3.08Å; A11-A15 PolarHBondContact O-N 3.43Å; I12-A15 PolarHBondContact O-N 2.96Å; A15-G18 PolarHBondContact O-N 2.83Å; A15-V19 PolarHBondContact O-N 3.38Å; A15-F238 HydrophobicContact CB-CD1 4.21Å; A15-F238 HydrophobicContact CB-CE1 3.74Å
16A85.4Confident85.2Confident0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-64.6-39.7175.200000112.3I12 T13 L14 G18 V19 V20 F238 I243I12-A16 WeakPolarHBondContact O-CB 3.25Å; I12-A16 PolarHBondContact O-N 2.96Å; T13-A16 WeakPolarHBondContact O-CB 3.32Å; T13-A16 PolarHBondContact O-N 3Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 2.95Å; A16-G18 VanDerWaalsContact C-N 3.27Å; A16-G18 PolarHBondContact O-N 2.91Å; A16-V19 PolarHBondContact O-N 3.47Å; A16-V20 HydrophobicContact CB-CG2 4.2Å; A16-V20 VanDerWaalsContact O-CB 3.23Å; A16-V20 WeakPolarHBondContact O-CB 3.37Å; A16-V20 WeakPolarHBondContact O-CG2 3.35Å; A16-V20 PolarHBondContact O-N 2.82Å; A16-F238 HydrophobicContact CB-CB 4.04Å; A16-F238 HydrophobicContact CB-CD1 4.05Å; A16-F238 HydrophobicContact CB-CG 3.92Å; A16-I243 HydrophobicContact CB-CG1 4.3Å
17I89.2Confident86.9Confident8 Ų828 Ų284%0.04117%0.167CC..Hα-helixtrans-57.3-43.8171.5-66.1167.5000110.4T13 L14 M173 L174 F177 A246 V250T13-I17 WeakPolarHBondContact O-CG1 3.37Å; T13-I17 PolarHBondContact O-N 3.33Å; L14-I17 WeakPolarHBondContact O-CB 3.4Å; L14-I17 PolarHBondContact O-N 2.93Å; I17-M173 HydrophobicContact CG2-CB 4.18Å; I17-L174 HydrophobicContact CD1-CD1 4.45Å; I17-F177 HydrophobicContact CG2-CD2 3.76Å; I17-F177 HydrophobicContact CG2-CE2 3.86Å; I17-A246 HydrophobicContact CD1-CB 4.29Å; I17-A246 HydrophobicContact CG1-CB 3.48Å; I17-A246 VanDerWaalsContact CG1-CB 3.48Å; I17-V250 HydrophobicContact CD1-CB 4.14Å; I17-V250 HydrophobicContact CD1-CG1 4.36Å; I17-V250 HydrophobicContact CD1-CG2 3.85Å
18G84.5Confident88.3Confident0 Ų023 Ų230%014%0.144CC..Hα-helixtrans-67.3-34.7-177.800000115L14 A15 A16 I299L14-G18 PolarHBondContact O-N 2.92Å; L14-G18 VanDerWaalsContact O-N 3.07Å; A15-G18 PolarHBondContact O-N 2.83Å; A16-G18 VanDerWaalsContact C-N 3.27Å; A16-G18 PolarHBondContact O-N 2.91Å; G18-I299 WeakPolarHBondContact O-CG2 3.48Å
19V81Confident88.8Confident33 Ų3319.6 Ų19.620%0.212%0.12CC..Hα-helixtrans-109.4-48-171179.90000111.9A15 A16 F238 A303A15-V19 PolarHBondContact O-N 3.38Å; A16-V19 PolarHBondContact O-N 3.47Å; V19-F238 HydrophobicContact CB-CE2 3.9Å; V19-F238 HydrophobicContact CB-CZ 3.59Å; V19-F238 HydrophobicContact CG1-CE2 3.95Å; V19-F238 HydrophobicContact CG1-CZ 3.94Å; V19-F238 HydrophobicContact CG2-CZ 3.86Å; V19-A303 WeakPolarHBondContact O-CB 3.48Å
20V84.3Confident89Confident2 Ų216 Ų161%0.01210%0.101CC..THydrogen-bonded Turntrans-75.5-35.6-168.6-174.50000111.7A16 L231 D234 F238 I243A16-V20 HydrophobicContact CB-CG2 4.2Å; A16-V20 VanDerWaalsContact O-CB 3.23Å; A16-V20 WeakPolarHBondContact O-CB 3.37Å; A16-V20 WeakPolarHBondContact O-CG2 3.35Å; A16-V20 PolarHBondContact O-N 2.82Å; V20-L231 HydrophobicContact CG1-CB 3.68Å; V20-L231 HydrophobicContact CG1-CD1 3.68Å; V20-L231 HydrophobicContact CG1-CG 3.63Å; V20-D234 HydrophobicContact CG2-CB 4.22Å; V20-F238 HydrophobicContact CG2-CD2 3.26Å; V20-F238 HydrophobicContact CG2-CE2 3.44Å; V20-F238 VanDerWaalsContact CG2-CE2 3.44Å; V20-F238 HydrophobicContact CG2-CG 4.14Å; V20-F238 HydrophobicContact CG2-CZ 4.44Å; V20-I243 HydrophobicContact CG1-CD1 4.32Å; V20-I243 HydrophobicContact CG1-CG1 4.39Å; V20-I243 HydrophobicContact CG1-CG2 4.34Å; V20-I243 HydrophobicContact CG2-CD1 4.27Å; V20-I243 HydrophobicContact CG2-CG1 4.2Å
21Y89.9Confident89.2Confident1 Ų111.5 Ų11.50%0.0047%0.072CC..THydrogen-bonded Turntrans-101.910.7-171.8-66.3-70.2000114.1I24 G25 L231 I243 A246 W247 V251Y21-I24 HydrophobicContact CD1-CG2 3.76Å; Y21-G25 VanDerWaalsContact O-CA 3.25Å; Y21-G25 WeakPolarHBondContact O-CA 3.31Å; Y21-G25 PolarHBondContact O-N 2.91Å; Y21-L231 HydrophobicContact CD1-CD1 4.19Å; Y21-L231 HydrophobicContact CE1-CD1 3.26Å; Y21-L231 HydrophobicContact CE2-CD1 4.44Å; Y21-L231 VanDerWaalsContact CZ-CD1 3.42Å; Y21-L231 WeakPolarHBondContact OH-CD1 3.5Å; Y21-I243 HydrophobicContact CE2-CG2 4.3Å; Y21-I243 WeakPolarHBondContact OH-CG2 3.29Å; Y21-I243 PolarHBondContact OH-O 3.2Å; Y21-A246 HydrophobicContact CD2-CB 4.12Å; Y21-A246 HydrophobicContact CE2-CB 3.67Å; Y21-W247 AromaticContact CD1-CE3 3.84Å; Y21-W247 HydrophobicContact CD1-CE3 3.84Å; Y21-W247 HydrophobicContact CD1-CZ3 4.14Å; Y21-W247 HydrophobicContact CE1-CB 4.41Å; Y21-W247 HydrophobicContact CE1-CD2 4.22Å; Y21-W247 AromaticContact CE1-CE3 3.29Å; Y21-W247 HydrophobicContact CE1-CE3 3.29Å; Y21-W247 AromaticContact CE1-CZ3 3.9Å; Y21-W247 HydrophobicContact CE1-CZ3 3.9Å; Y21-W247 AromaticContact CZ-CE3 4Å; Y21-W247 WeakPolarHBondContact OH-CB 3.36Å; Y21-V251 HydrophobicContact CD1-CB 4.33Å; Y21-V251 HydrophobicContact CD1-CG1 3.87Å; Y21-V251 HydrophobicContact CD1-CG2 4.03Å; Y21-V251 HydrophobicContact CD2-CG2 3.72Å; Y21-V251 HydrophobicContact CE2-CG2 4.31Å; Y21-V251 HydrophobicContact CG-CB 4.34Å; Y21-V251 HydrophobicContact CG-CG1 4.14Å; Y21-V251 HydrophobicContact CG-CG2 3.56Å
22G87.6Confident89.4Confident0 Ų09.4 Ų9.40%06%0.055CC..Hα-helixtrans-56.4-55175.500000112.1G25 T26 A300G22-G25 PolarHBondContact O-N 3.49Å; G22-T26 WeakPolarHBondContact O-CG2 3.46Å; G22-T26 PolarHBondContact O-N 3.07Å; G22-T26 PolarHBondContact O-OG1 3.3Å; G22-A300 VanDerWaalsContact C-CB 3.43Å; G22-A300 WeakPolarHBondContact O-CB 3.04Å
23D89.8Confident89.7Confident0 Ų08.4 Ų8.40%05%0.048CC..Hα-helixtrans-57.7-67.2-176.7-172.7-12.9000112G25 T26 S27 T120 T226 G227 V304D23-G25 PolarHBondContact O-N 2.87Å; D23-G25 VanDerWaalsContact O-N 3.09Å; D23-T26 PolarHBondContact O-N 3.45Å; D23-T26 PolarHBondContact O-OG1 3.23Å; D23-S27 PolarHBondContact O-N 3.26Å; D23-T120 WeakPolarHBondContact OD1-CG2 3.37Å; D23-T226 PolarHBondContact OD1-OG1 2.94Å; D23-G227 VanDerWaalsContact CG-CA 3.42Å; D23-G227 WeakPolarHBondContact OD2-CA 3.25Å; D23-G227 PolarHBondContact OD2-N 2.81Å; D23-V304 HydrophobicContact CB-CG2 4.15Å; D23-V304 WeakPolarHBondContact OD2-CG2 3.43Å
24I93Very high89.7Confident6 Ų68.2 Ų8.23%0.0315%0.047CC..Hα-helixtrans-59.2-27.4178.6-160.5167.8000113.1Y21 T26 S27 L60 V64 T226 V228 W247 V251 L255Y21-I24 HydrophobicContact CD1-CG2 3.76Å; I24-T26 VanDerWaalsContact C-N 3.25Å; I24-T26 PolarHBondContact O-N 2.87Å; I24-S27 PolarHBondContact O-OG 2.89Å; I24-L60 HydrophobicContact CD1-CD2 4.13Å; I24-V64 HydrophobicContact CD1-CG1 4.47Å; I24-V64 HydrophobicContact CD1-CG2 3.96Å; I24-T226 WeakPolarHBondContact CA-O 3.2Å; I24-T226 VanDerWaalsContact CB-O 3.23Å; I24-T226 WeakPolarHBondContact CB-O 3.47Å; I24-V228 HydrophobicContact CD1-CG2 3.96Å; I24-W247 HydrophobicContact CD1-CH2 3.78Å; I24-W247 HydrophobicContact CD1-CZ3 3.91Å; I24-W247 HydrophobicContact CG2-CZ3 4.3Å; I24-V251 HydrophobicContact CG2-CG1 4.41Å; I24-L255 HydrophobicContact CG1-CD1 4.17Å
25G93.5Very high89.7Confident0 Ų05.2 Ų5.20%03%0.031CC..Hα-helixtrans-67.9-24176.700000113.5Y21 G22 D23 P28 W176Y21-G25 VanDerWaalsContact O-CA 3.25Å; Y21-G25 WeakPolarHBondContact O-CA 3.31Å; Y21-G25 PolarHBondContact O-N 2.91Å; G22-G25 PolarHBondContact O-N 3.49Å; D23-G25 PolarHBondContact O-N 2.87Å; D23-G25 VanDerWaalsContact O-N 3.09Å; G25-P28 WeakPolarHBondContact O-CD 3.28Å; G25-W176 PolarHBondContact O-NE1 3.19Å
26T94.4Very high89.7Confident0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-95.5-13.8179.859.50000113.9G22 D23 I24 P28 L29 S124 A296 T297 A300G22-T26 WeakPolarHBondContact O-CG2 3.46Å; G22-T26 PolarHBondContact O-N 3.07Å; G22-T26 PolarHBondContact O-OG1 3.3Å; D23-T26 PolarHBondContact O-N 3.45Å; D23-T26 PolarHBondContact O-OG1 3.23Å; I24-T26 VanDerWaalsContact C-N 3.25Å; I24-T26 PolarHBondContact O-N 2.87Å; T26-P28 VanDerWaalsContact C-N 3.26Å; T26-P28 VanDerWaalsContact O-N 3.12Å; T26-L29 VanDerWaalsContact O-CB 3.26Å; T26-L29 WeakPolarHBondContact O-CB 3.27Å; T26-L29 WeakPolarHBondContact O-CG 3.44Å; T26-L29 PolarHBondContact O-N 3.32Å; T26-S124 PolarHBondContact OG1-OG 3.21Å; T26-A296 HydrophobicContact CG2-CB 4.08Å; T26-T297 HydrophobicContact CG2-CG2 3.82Å; T26-A300 HydrophobicContact CG2-CB 3.79Å
27S93.9Very high89Confident0 Ų05.1 Ų5.10%03%0.028CC..G310 helixtrans-49.3-33.6175.2-57.30000115.9D23 I24 L29 Y30 T31 L223 T226 Y259D23-S27 PolarHBondContact O-N 3.26Å; I24-S27 PolarHBondContact O-OG 2.89Å; S27-L29 PolarHBondContact O-N 2.92Å; S27-L29 VanDerWaalsContact O-N 3.13Å; S27-Y30 PolarHBondContact O-N 2.96Å; S27-T31 WeakPolarHBondContact O-CB 3.3Å; S27-T31 PolarHBondContact O-N 2.93Å; S27-T31 PolarHBondContact O-OG1 2.92Å; S27-L223 WeakPolarHBondContact CB-O 3.12Å; S27-L223 PolarHBondContact OG-O 3.15Å; S27-T226 PolarHBondContact OG-OG1 3.26Å; S27-Y259 WeakPolarHBondContact CB-OH 3.5Å
28P95.4Very high87.6Confident0 Ų07.4 Ų7.40%05%0.054CC..G310 helixtrans-61.4-17.2175.8-24.534.9000115.3G25 T26 Y30 L180 L255 N258 Y259 Q262 F277G25-P28 WeakPolarHBondContact O-CD 3.28Å; T26-P28 VanDerWaalsContact C-N 3.26Å; T26-P28 VanDerWaalsContact O-N 3.12Å; P28-Y30 VanDerWaalsContact C-N 3.27Å; P28-Y30 PolarHBondContact O-N 2.99Å; P28-L180 HydrophobicContact CG-CD1 4.26Å; P28-L255 HydrophobicContact CG-CD2 3.42Å; P28-L255 VanDerWaalsContact CG-CD2 3.42Å; P28-N258 VanDerWaalsContact CB-OD1 3.31Å; P28-N258 WeakPolarHBondContact CB-OD1 3.46Å; P28-Y259 HydrophobicContact CB-CE1 4.11Å; P28-Y259 HydrophobicContact CG-CE1 4.22Å; P28-Y259 HydrophobicContact CG-CE2 4.28Å; P28-Q262 PolarHBondContact O-NE2 3.12Å; P28-F277 HydrophobicContact CB-CD2 4.38Å
29L94Very high86.5Confident2 Ų213 Ų131%0.018%0.08CC..G310 helixtrans-62.6-33.2176.1-74.4169.5000112.7T26 S27 A128 W176 F277 F278 A293 T297T26-L29 VanDerWaalsContact O-CB 3.26Å; T26-L29 WeakPolarHBondContact O-CB 3.27Å; T26-L29 WeakPolarHBondContact O-CG 3.44Å; T26-L29 PolarHBondContact O-N 3.32Å; S27-L29 PolarHBondContact O-N 2.92Å; S27-L29 VanDerWaalsContact O-N 3.13Å; L29-A128 HydrophobicContact CD1-CB 4.2Å; L29-W176 HydrophobicContact CD1-CH2 4.43Å; L29-W176 HydrophobicContact CD2-CH2 3.96Å; L29-W176 HydrophobicContact CG-CH2 4.14Å; L29-W176 HydrophobicContact CG-CZ2 4.3Å; L29-F277 HydrophobicContact CD2-CD1 3.49Å; L29-F277 VanDerWaalsContact CD2-CD1 3.49Å; L29-F277 HydrophobicContact CD2-CD2 4.38Å; L29-F277 HydrophobicContact CD2-CE1 3.47Å; L29-F277 VanDerWaalsContact CD2-CE1 3.47Å; L29-F277 HydrophobicContact CD2-CE2 4.38Å; L29-F277 HydrophobicContact CD2-CG 3.97Å; L29-F277 HydrophobicContact CD2-CZ 3.97Å; L29-F278 HydrophobicContact CD2-CE2 4.24Å; L29-A293 HydrophobicContact CD2-CB 4.14Å; L29-T297 HydrophobicContact CD1-CG2 3.4Å; L29-T297 VanDerWaalsContact CD1-CG2 3.4Å
30Y91.6Very high85.5Confident2 Ų213 Ų131%0.0088%0.077CC..THydrogen-bonded Turntrans-127-33.4-171.547.3-99.6000113.7S27 P28 L32 R33 E34 I123 L223S27-Y30 PolarHBondContact O-N 2.96Å; P28-Y30 VanDerWaalsContact C-N 3.27Å; P28-Y30 PolarHBondContact O-N 2.99Å; Y30-L32 PolarHBondContact O-N 2.85Å; Y30-R33 WeakPolarHBondContact O-CB 2.92Å; Y30-R33 PolarHBondContact O-N 3.49Å; Y30-R33 VanDerWaalsContact O-N 3.17Å; Y30-E34 WeakPolarHBondContact O-CG 3.33Å; Y30-E34 PolarHBondContact O-N 3.16Å; Y30-I123 HydrophobicContact CD1-CG1 4.39Å; Y30-I123 HydrophobicContact CD2-CD1 4.32Å; Y30-I123 HydrophobicContact CE1-CG2 4.39Å; Y30-I123 HydrophobicContact CE2-CD1 4.39Å; Y30-I123 HydrophobicContact CG-CD1 4.47Å; Y30-L223 HydrophobicContact CD2-CB 4.09Å; Y30-L223 HydrophobicContact CD2-CD1 4.19Å; Y30-L223 HydrophobicContact CD2-CD2 4.47Å; Y30-L223 HydrophobicContact CD2-CG 4.49Å; Y30-L223 HydrophobicContact CE2-CB 3.86Å; Y30-L223 HydrophobicContact CE2-CD2 4.14Å; Y30-L223 HydrophobicContact CE2-CG 4.41Å
31T93.1Very high84.2Confident0 Ų016.2 Ų16.20%011%0.111CC..Hα-helixtrans-53.7-53.3-166.1-61.10000114S27 R33 E34 C35 I56 L223 Y259S27-T31 WeakPolarHBondContact O-CB 3.3Å; S27-T31 PolarHBondContact O-N 2.93Å; S27-T31 PolarHBondContact O-OG1 2.92Å; T31-R33 VanDerWaalsContact C-N 3.35Å; T31-R33 PolarHBondContact O-N 2.96Å; T31-E34 PolarHBondContact O-N 2.98Å; T31-C35 PolarHBondContact O-N 3.09Å; T31-C35 PolarHBondContact O-SG 2.95Å; T31-I56 HydrophobicContact CG2-CD1 3.96Å; T31-L223 HydrophobicContact CG2-CB 4.2Å; T31-L223 PolarHBondContact OG1-O 3.09Å; T31-Y259 HydrophobicContact CG2-CE1 4.08Å; T31-Y259 PolarHBondContact OG1-OH 3.13Å
32L91.5Very high83Confident0 Ų017 Ų170%011%0.114CC..Hα-helixtrans-70.9-34.6-175-167.966.5000111.8Y30 C35 L36 F52 L53 I56 Q262 L266Y30-L32 PolarHBondContact O-N 2.85Å; L32-C35 PolarHBondContact O-N 3.41Å; L32-L36 HydrophobicContact CD1-CD1 4Å; L32-L36 HydrophobicContact CG-CD1 4.07Å; L32-L36 PolarHBondContact O-N 3.05Å; L32-L36 VanDerWaalsContact O-N 3.16Å; L32-F52 HydrophobicContact CD1-CB 4.49Å; L32-L53 HydrophobicContact CD1-CD2 4.28Å; L32-I56 HydrophobicContact CD1-CD1 4.31Å; L32-Q262 HydrophobicContact CD2-CB 3.42Å; L32-Q262 VanDerWaalsContact CD2-CB 3.42Å; L32-L266 HydrophobicContact CD2-CD1 3.68Å; L32-L266 HydrophobicContact CG-CD1 4.11Å
33R89.8Confident82.1Confident20 Ų2018.7 Ų18.78%0.07513%0.132CC..Hα-helixtrans-57.8-50.2171.2-177.1178.169.5-169.7-3110.3Y30 T31 C35 L36 S37 E130 I273 K274 P276 S360Y30-R33 WeakPolarHBondContact O-CB 2.92Å; Y30-R33 PolarHBondContact O-N 3.49Å; Y30-R33 VanDerWaalsContact O-N 3.17Å; T31-R33 VanDerWaalsContact C-N 3.35Å; T31-R33 PolarHBondContact O-N 2.96Å; R33-C35 PolarHBondContact O-N 3.31Å; R33-L36 CarbonylContact O-C 3.59Å; R33-L36 PolarHBondContact O-N 2.76Å; R33-S37 WeakPolarHBondContact O-CA 3.3Å; R33-S37 WeakPolarHBondContact O-CB 3.43Å; R33-S37 PolarHBondContact O-N 3.5Å; R33-E130 IonicContact CZ-OE2 2.65Å; R33-E130 VanDerWaalsContact CZ-OE2 3.24Å; R33-E130 IonicContact NH1-OE2 3.59Å; R33-E130 PolarHBondContact NH1-OE2 3.27Å; R33-E130 IonicContact NH2-OE2 2.7Å; R33-E130 PolarHBondContact NH2-OE2 3.28Å; R33-I273 WeakPolarHBondContact CG-O 3.25Å; R33-K274 VanDerWaalsContact CD-O 3.24Å; R33-K274 WeakPolarHBondContact CD-O 3.28Å; R33-P276 HydrophobicContact CB-CG 4.02Å; R33-S360 PolarHBondContact NH2-OG 2.68Å
34E89Confident81.5Confident6 Ų620.3 Ų20.33%0.02814%0.142CC..Hα-helixtrans-66.9-37.2-178.4-62.1-50.4128.200112.3Y30 T31 L36 S37 L223 S361 A364Y30-E34 WeakPolarHBondContact O-CG 3.33Å; Y30-E34 PolarHBondContact O-N 3.16Å; T31-E34 PolarHBondContact O-N 2.98Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3.12Å; E34-S37 PolarHBondContact O-OG 2.77Å; E34-S37 VanDerWaalsContact O-OG 3.05Å; E34-L223 HydrophobicContact CB-CD1 3.85Å; E34-L223 HydrophobicContact CG-CD1 3.98Å; E34-S361 WeakPolarHBondContact OE1-CB 3.37Å; E34-S361 PolarHBondContact OE1-OG 3.47Å; E34-S361 WeakPolarHBondContact OE2-CA 3.44Å; E34-S361 WeakPolarHBondContact OE2-CB 3.39Å; E34-S361 PolarHBondContact OE2-OG 2.81Å; E34-A364 HydrophobicContact CG-CB 3.75Å
35C88Confident81.2Confident0 Ų024.9 Ų24.90%016%0.163CC..Hα-helixtrans-60.5-38.4175.4-71.80000113.1T31 L32 R33 F52 A220T31-C35 PolarHBondContact O-N 3.09Å; T31-C35 PolarHBondContact O-SG 2.95Å; L32-C35 PolarHBondContact O-N 3.41Å; R33-C35 PolarHBondContact O-N 3.31Å; C35-F52 HydrophobicContact CB-CD1 3.72Å; C35-F52 HydrophobicContact CB-CD2 4.23Å; C35-F52 HydrophobicContact CB-CE1 3.79Å; C35-F52 HydrophobicContact CB-CE2 4.31Å; C35-F52 HydrophobicContact CB-CG 3.94Å; C35-F52 HydrophobicContact CB-CZ 4.08Å; C35-F52 WeakPolarHBondContact O-CE2 3.42Å; C35-F52 WeakPolarHBondContact O-CZ 3.46Å; C35-A220 HydrophobicContact CB-CB 4.46Å
36L83.9Confident81Confident4 Ų430.6 Ų30.62%0.02119%0.185CC..Hα-helixtrans-106.7-3.8-173.4-72.1168.4000113.5L32 R33 E34 G38 A48 V49 F52 L266 I273L32-L36 HydrophobicContact CD1-CD1 4Å; L32-L36 HydrophobicContact CG-CD1 4.07Å; L32-L36 PolarHBondContact O-N 3.05Å; L32-L36 VanDerWaalsContact O-N 3.16Å; R33-L36 CarbonylContact O-C 3.59Å; R33-L36 PolarHBondContact O-N 2.76Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3.12Å; L36-G38 PolarHBondContact O-N 3.34Å; L36-A48 HydrophobicContact CD2-CB 4.24Å; L36-V49 HydrophobicContact CD1-CG2 3.94Å; L36-V49 HydrophobicContact CD2-CG2 4.36Å; L36-F52 HydrophobicContact CD2-CD2 3.62Å; L36-F52 HydrophobicContact CD2-CE2 3.74Å; L36-F52 HydrophobicContact CG-CD2 4Å; L36-F52 HydrophobicContact CG-CE2 4.26Å; L36-L266 HydrophobicContact CD1-CD1 3.54Å; L36-I273 HydrophobicContact CB-CD1 3.37Å; L36-I273 HydrophobicContact CB-CG1 4.25Å; L36-I273 HydrophobicContact CD1-CD1 4.48Å
37S70.9Confident80.8Confident24 Ų2433.4 Ų33.417%0.16820%0.199CC..SBendtrans-64.2123.8169.270.30000107.2R33 E34 Q39R33-S37 WeakPolarHBondContact O-CA 3.3Å; R33-S37 WeakPolarHBondContact O-CB 3.43Å; R33-S37 PolarHBondContact O-N 3.5Å; E34-S37 PolarHBondContact O-OG 2.77Å; E34-S37 VanDerWaalsContact O-OG 3.05Å; S37-Q39 PolarHBondContact O-N 2.93Å
38G60.3Low80.6Confident55 Ų5533.4 Ų33.457%0.56720%0.199SC*.G310 helixtrans-6014.7-164.800000117.5L36 F40 G41L36-G38 PolarHBondContact O-N 3.34Å; G38-F40 PolarHBondContact O-N 2.9Å; G38-F40 VanDerWaalsContact O-N 3.17Å; G38-G41 PolarHBondContact O-N 2.87Å
39Q61.8Low80.5Confident118 Ų11833.4 Ų33.455%0.55120%0.199SC*.G310 helixtrans-52.7-29.5170.9-63.3-1716.500112.9S37S37-Q39 PolarHBondContact O-N 2.93Å
40F59.5Low80.5Confident32 Ų3233.3 Ų33.314%0.1420%0.199CC..G310 helixtrans-94.3-0.9177.3-53.8-64.2000113.5G38 F42 V213 I216 A217 A220G38-F40 PolarHBondContact O-N 2.9Å; G38-F40 VanDerWaalsContact O-N 3.17Å; F40-F42 VanDerWaalsContact C-N 3.35Å; F40-F42 HydrophobicContact CB-CD2 3.54Å; F40-F42 HydrophobicContact CB-CE2 3.44Å; F40-F42 VanDerWaalsContact CB-CE2 3.44Å; F40-F42 HydrophobicContact CB-CZ 4.39Å; F40-F42 HydrophobicContact CG-CD2 4.48Å; F40-F42 HydrophobicContact CG-CE2 4.25Å; F40-V213 HydrophobicContact CB-CG1 3.97Å; F40-V213 WeakPolarHBondContact O-CG1 3.45Å; F40-I216 HydrophobicContact CD1-CB 4.39Å; F40-I216 HydrophobicContact CD1-CG2 3.83Å; F40-I216 HydrophobicContact CE1-CG2 3.63Å; F40-A217 HydrophobicContact CD2-CB 4.2Å; F40-A217 HydrophobicContact CE2-CB 4.49Å; F40-A217 HydrophobicContact CG-CB 4.23Å; F40-A220 HydrophobicContact CE2-CB 3.88Å; F40-A220 HydrophobicContact CZ-CB 4.12Å
41G57.4Low80.6Confident70 Ų7033.2 Ų33.272%0.72220%0.199SC*.SBendtrans79.412.1-178.100000114.9G38G38-G41 PolarHBondContact O-N 2.87Å
42F64Low80.7Confident17 Ų1733.2 Ų33.28%0.07520%0.199CC..  trans-85137.9170.4-52.4-59.5000110.9F40 F52 F206 Y210 V213 A217F40-F42 VanDerWaalsContact C-N 3.35Å; F40-F42 HydrophobicContact CB-CD2 3.54Å; F40-F42 HydrophobicContact CB-CE2 3.44Å; F40-F42 VanDerWaalsContact CB-CE2 3.44Å; F40-F42 HydrophobicContact CB-CZ 4.39Å; F40-F42 HydrophobicContact CG-CD2 4.48Å; F40-F42 HydrophobicContact CG-CE2 4.25Å; F42-F52 HydrophobicContact CD2-CE2 4.16Å; F42-F52 HydrophobicContact CD2-CZ 4.11Å; F42-F52 HydrophobicContact CE2-CE2 4.42Å; F42-F52 HydrophobicContact CE2-CZ 4.01Å; F42-F206 HydrophobicContact CE2-CZ 4.2Å; F42-F206 HydrophobicContact CZ-CE2 4.47Å; F42-F206 HydrophobicContact CZ-CZ 4.04Å; F42-Y210 AromaticContact CD1-CD1 3.68Å; F42-Y210 HydrophobicContact CD1-CD1 3.68Å; F42-Y210 AromaticContact CD1-CE1 3.71Å; F42-Y210 HydrophobicContact CD1-CE1 3.71Å; F42-Y210 HydrophobicContact CD1-CG 4.19Å; F42-Y210 AromaticContact CE1-CD1 3.26Å; F42-Y210 HydrophobicContact CE1-CD1 3.26Å; F42-Y210 HydrophobicContact CE1-CD2 4.18Å; F42-Y210 AromaticContact CE1-CE1 3.81Å; F42-Y210 HydrophobicContact CE1-CE1 3.81Å; F42-Y210 AromaticContact CE1-CG 3.45Å; F42-Y210 HydrophobicContact CE1-CG 3.45Å; F42-Y210 VanDerWaalsContact CE1-CG 3.45Å; F42-Y210 HydrophobicContact CZ-CD1 4.39Å; F42-Y210 HydrophobicContact CZ-CG 4.2Å; F42-V213 HydrophobicContact CD1-CG1 4.46Å; F42-V213 HydrophobicContact CE1-CB 3.96Å; F42-V213 HydrophobicContact CE1-CG1 3.55Å; F42-V213 HydrophobicContact CE2-CG1 3.64Å; F42-V213 HydrophobicContact CZ-CB 3.63Å; F42-V213 HydrophobicContact CZ-CG1 3.1Å; F42-A217 HydrophobicContact CE2-CB 3.87Å
43G68.3Low80.9Confident36 Ų3633.2 Ų33.237%0.37120%0.199SC..  trans-77.4172.7156.300000110.8E45G43-E45 PolarHBondContact O-N 2.89Å
44V77.9Confident81.2Confident34 Ų3432.3 Ų32.321%0.20620%0.195CC..SBendtrans-7773167.7-174.10000108.3V49 L266 P270 I273V44-V49 HydrophobicContact CG1-CG2 4.02Å; V44-L266 HydrophobicContact CG1-CB 3.77Å; V44-L266 HydrophobicContact CG1-CD2 4.18Å; V44-L266 HydrophobicContact CG1-CG 4.46Å; V44-P270 HydrophobicContact CB-CB 3.98Å; V44-P270 HydrophobicContact CG1-CB 4.25Å; V44-I273 HydrophobicContact CG2-CB 3.88Å; V44-I273 HydrophobicContact CG2-CG1 4.09Å; V44-I273 HydrophobicContact CG2-CG2 4.2Å
45E86.7Confident81.5Confident103 Ų10332.7 Ų32.748%0.48120%0.198SC..  trans-95.2151.6178.8-66.2176.2175.300110.7G43 D47 A48 V49 Y210G43-E45 PolarHBondContact O-N 2.89Å; E45-D47 VanDerWaalsContact C-N 3.33Å; E45-D47 PolarHBondContact O-N 3.32Å; E45-A48 HydrophobicContact CB-CB 4.4Å; E45-A48 PolarHBondContact O-N 3.35Å; E45-V49 WeakPolarHBondContact O-CG2 3.45Å; E45-V49 PolarHBondContact O-N 3.17Å; E45-Y210 PolarHBondContact OE2-OH 3.41Å
46R90.3Very high81.9Confident120 Ų12032.8 Ų32.845%0.45320%0.198SC..Hα-helixtrans-54.2-48.7-178.8-173.9-177.8-170.8-144.610.3112.1A48 V49 F50 E193 L267R46-A48 PolarHBondContact O-N 3.25Å; R46-V49 PolarHBondContact O-N 2.78Å; R46-F50 HydrophobicContact CG-CD2 4Å; R46-F50 HydrophobicContact CG-CE2 3.67Å; R46-F50 HydrophobicContact CG-CZ 4.29Å; R46-F50 WeakPolarHBondContact O-CD2 3.34Å; R46-F50 PolarHBondContact O-N 2.95Å; R46-E193 IonicContact CZ-OE2 3.63Å; R46-E193 IonicContact NE-OE2 3.73Å; R46-E193 IonicContact NH2-OE2 2.78Å; R46-E193 PolarHBondContact NH2-OE2 2.82Å; R46-L267 HydrophobicContact CB-CD2 4.15Å; R46-L267 HydrophobicContact CG-CD2 3.98Å
47D90.4Very high82.6Confident58 Ų5834.2 Ų34.231%0.3120%0.204SC..Hα-helixtrans-68.8-36.6-175-65.7-10.9000111.9E45 G51E45-D47 VanDerWaalsContact C-N 3.33Å; E45-D47 PolarHBondContact O-N 3.32Å; D47-G51 PolarHBondContact O-N 3.14Å
48A89.8Confident83.8Confident0 Ų037.8 Ų37.80%021%0.214CC..Hα-helixtrans-63.9-48.417300000111.7L36 E45 R46 F50 G51 F52 F206 Y210L36-A48 HydrophobicContact CD2-CB 4.24Å; E45-A48 HydrophobicContact CB-CB 4.4Å; E45-A48 PolarHBondContact O-N 3.35Å; R46-A48 PolarHBondContact O-N 3.25Å; A48-F50 PolarHBondContact O-N 2.56Å; A48-G51 PolarHBondContact O-N 3Å; A48-F52 WeakPolarHBondContact O-CD2 3.37Å; A48-F52 PolarHBondContact O-N 3.32Å; A48-F206 HydrophobicContact CB-CE2 4.25Å; A48-Y210 HydrophobicContact CB-CE2 4.22Å
49V92.8Very high85.5Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-58-49.3178.2173.30000110.6L36 V44 E45 R46 G51 F52 L53 L266 L267L36-V49 HydrophobicContact CD1-CG2 3.94Å; L36-V49 HydrophobicContact CD2-CG2 4.36Å; V44-V49 HydrophobicContact CG1-CG2 4.02Å; E45-V49 WeakPolarHBondContact O-CG2 3.45Å; E45-V49 PolarHBondContact O-N 3.17Å; R46-V49 PolarHBondContact O-N 2.78Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 2.82Å; V49-F52 PolarHBondContact O-N 2.9Å; V49-L53 HydrophobicContact CG1-CD1 3.84Å; V49-L53 HydrophobicContact CG1-CG 4.36Å; V49-L53 WeakPolarHBondContact O-CB 3.4Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 3.45Å; V49-L266 HydrophobicContact CG2-CB 4.49Å; V49-L267 HydrophobicContact CB-CD2 4.12Å; V49-L267 HydrophobicContact CG1-CD2 4.17Å; V49-L267 HydrophobicContact CG1-CG 4.14Å; V49-L267 HydrophobicContact CG2-CD2 4.39Å
50F94.4Very high87.2Confident0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-65.6-39.1-179.8-79.4-130.3000111.9R46 A48 S54 E193 H196 A197 W202 L267R46-F50 HydrophobicContact CG-CD2 4Å; R46-F50 HydrophobicContact CG-CE2 3.67Å; R46-F50 HydrophobicContact CG-CZ 4.29Å; R46-F50 WeakPolarHBondContact O-CD2 3.34Å; R46-F50 PolarHBondContact O-N 2.95Å; A48-F50 PolarHBondContact O-N 2.56Å; F50-S54 VanDerWaalsContact O-CB 3.25Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 3.32Å; F50-E193 WeakPolarHBondContact CE1-O 2.97Å; F50-E193 HydrophobicContact CZ-CB 4.32Å; F50-E193 WeakPolarHBondContact CZ-O 3.42Å; F50-H196 HydrophobicContact CD1-CB 4.17Å; F50-H196 HydrophobicContact CE1-CB 3.66Å; F50-A197 HydrophobicContact CB-CB 4.3Å; F50-A197 HydrophobicContact CD1-CB 4.26Å; F50-A197 HydrophobicContact CG-CB 4.33Å; F50-W202 HydrophobicContact CB-CB 4.36Å; F50-W202 HydrophobicContact CB-CD2 3.64Å; F50-W202 HydrophobicContact CB-CE3 3.43Å; F50-W202 VanDerWaalsContact CB-CE3 3.43Å; F50-W202 HydrophobicContact CB-CG 4.05Å; F50-W202 HydrophobicContact CB-CZ3 3.9Å; F50-W202 AromaticContact CD1-CD2 3.69Å; F50-W202 HydrophobicContact CD1-CD2 3.69Å; F50-W202 AromaticContact CD1-CE2 3.4Å; F50-W202 HydrophobicContact CD1-CE3 4.01Å; F50-W202 HydrophobicContact CD1-CG 4.28Å; F50-W202 AromaticContact CD1-CH2 3.79Å; F50-W202 HydrophobicContact CD1-CH2 3.79Å; F50-W202 AromaticContact CD1-CZ2 3.46Å; F50-W202 HydrophobicContact CD1-CZ2 3.46Å; F50-W202 VanDerWaalsContact CD1-CZ2 3.46Å; F50-W202 HydrophobicContact CD1-CZ3 4.05Å; F50-W202 AromaticContact CD1-NE1 3.84Å; F50-W202 HydrophobicContact CE1-CH2 4.17Å; F50-W202 AromaticContact CE1-CZ2 3.77Å; F50-W202 HydrophobicContact CE1-CZ2 3.77Å; F50-W202 HydrophobicContact CG-CD2 4.13Å; F50-W202 HydrophobicContact CG-CE3 4.08Å; F50-W202 HydrophobicContact CG-CH2 4.31Å; F50-W202 HydrophobicContact CG-CZ2 4.37Å; F50-W202 HydrophobicContact CG-CZ3 4.17Å; F50-L267 HydrophobicContact CD2-CD1 4.34Å; F50-L267 HydrophobicContact CD2-CD2 4.26Å; F50-L267 HydrophobicContact CE2-CD1 3.5Å; F50-L267 HydrophobicContact CE2-CD2 3.84Å; F50-L267 HydrophobicContact CE2-CG 4.29Å; F50-L267 HydrophobicContact CZ-CD1 4.28Å
51G93.8Very high89Confident0 Ų030.5 Ų30.50%017%0.167CC..Hα-helixtrans-57.6-51.9174.800000112.6D47 A48 V49 S54 L55D47-G51 PolarHBondContact O-N 3.14Å; A48-G51 PolarHBondContact O-N 3Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 2.82Å; G51-S54 PolarHBondContact O-N 3.24Å; G51-L55 WeakPolarHBondContact O-CG 3.18Å; G51-L55 PolarHBondContact O-N 3.33Å
52F93.5Very high90.8Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-63.5-44.4178.3-77.6-60.9000113L32 C35 L36 F42 A48 V49 S54 L55 I56 F206 A217 V221L32-F52 HydrophobicContact CD1-CB 4.49Å; C35-F52 HydrophobicContact CB-CD1 3.72Å; C35-F52 HydrophobicContact CB-CD2 4.23Å; C35-F52 HydrophobicContact CB-CE1 3.79Å; C35-F52 HydrophobicContact CB-CE2 4.31Å; C35-F52 HydrophobicContact CB-CG 3.94Å; C35-F52 HydrophobicContact CB-CZ 4.08Å; C35-F52 WeakPolarHBondContact O-CE2 3.42Å; C35-F52 WeakPolarHBondContact O-CZ 3.46Å; L36-F52 HydrophobicContact CD2-CD2 3.62Å; L36-F52 HydrophobicContact CD2-CE2 3.74Å; L36-F52 HydrophobicContact CG-CD2 4Å; L36-F52 HydrophobicContact CG-CE2 4.26Å; F42-F52 HydrophobicContact CD2-CE2 4.16Å; F42-F52 HydrophobicContact CD2-CZ 4.11Å; F42-F52 HydrophobicContact CE2-CE2 4.42Å; F42-F52 HydrophobicContact CE2-CZ 4.01Å; A48-F52 WeakPolarHBondContact O-CD2 3.37Å; A48-F52 PolarHBondContact O-N 3.32Å; V49-F52 PolarHBondContact O-N 2.9Å; F52-S54 VanDerWaalsContact C-N 3.31Å; F52-S54 PolarHBondContact O-N 2.55Å; F52-L55 PolarHBondContact O-N 3.43Å; F52-I56 WeakPolarHBondContact O-CB 3.04Å; F52-I56 VanDerWaalsContact O-CG1 3.27Å; F52-I56 WeakPolarHBondContact O-CG1 3.35Å; F52-I56 PolarHBondContact O-N 3.49Å; F52-F206 HydrophobicContact CD1-CE1 4.49Å; F52-F206 HydrophobicContact CD1-CZ 4.3Å; F52-F206 HydrophobicContact CD2-CE2 4.32Å; F52-F206 HydrophobicContact CD2-CZ 4.22Å; F52-F206 HydrophobicContact CE1-CE1 4.16Å; F52-F206 AromaticContact CE1-CZ 3.85Å; F52-F206 HydrophobicContact CE1-CZ 3.85Å; F52-F206 HydrophobicContact CE2-CE2 4.05Å; F52-F206 AromaticContact CE2-CZ 3.74Å; F52-F206 HydrophobicContact CE2-CZ 3.74Å; F52-F206 HydrophobicContact CG-CZ 4.48Å; F52-F206 HydrophobicContact CZ-CE1 4.3Å; F52-F206 HydrophobicContact CZ-CE2 4.33Å; F52-F206 AromaticContact CZ-CZ 3.55Å; F52-F206 HydrophobicContact CZ-CZ 3.55Å; F52-A217 HydrophobicContact CE1-CB 3.64Å; F52-A217 HydrophobicContact CZ-CB 3.65Å; F52-V221 HydrophobicContact CD1-CG2 3.65Å; F52-V221 HydrophobicContact CE1-CG2 3.91Å
53L96.2Very high92.4Very high1 Ų128.8 Ų28.81%0.00514%0.139CC..Hα-helixtrans-62.1-40.9177.8-68.5174.7000112.1L32 V49 I56 F57 V194 A197 Y259 F260L32-L53 HydrophobicContact CD1-CD2 4.28Å; V49-L53 HydrophobicContact CG1-CD1 3.84Å; V49-L53 HydrophobicContact CG1-CG 4.36Å; V49-L53 WeakPolarHBondContact O-CB 3.4Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 3.45Å; L53-I56 PolarHBondContact O-N 2.89Å; L53-F57 WeakPolarHBondContact O-CB 3.31Å; L53-F57 PolarHBondContact O-N 2.95Å; L53-V194 HydrophobicContact CD1-CG2 3.29Å; L53-A197 HydrophobicContact CB-CB 3.66Å; L53-A197 HydrophobicContact CD1-CB 4.18Å; L53-Y259 WeakPolarHBondContact CD2-O 3.42Å; L53-F260 HydrophobicContact CB-CE2 4.34Å; L53-F260 HydrophobicContact CB-CZ 4.42Å; L53-F260 HydrophobicContact CD2-CD2 4.42Å
54S96.5Very high93.7Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-61.8-47.4175.2-165.20000111.1F50 G51 F52 F57 W58 A197 N199 A203F50-S54 VanDerWaalsContact O-CB 3.25Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 3.32Å; G51-S54 PolarHBondContact O-N 3.24Å; F52-S54 VanDerWaalsContact C-N 3.31Å; F52-S54 PolarHBondContact O-N 2.55Å; S54-F57 PolarHBondContact O-N 3.11Å; S54-W58 WeakPolarHBondContact O-CB 3.41Å; S54-W58 PolarHBondContact O-N 2.89Å; S54-A197 VanDerWaalsContact CA-O 3.23Å; S54-A197 WeakPolarHBondContact CA-O 3.36Å; S54-A197 WeakPolarHBondContact CB-O 3.13Å; S54-A197 PolarHBondContact OG-O 2.82Å; S54-A197 VanDerWaalsContact OG-O 3.08Å; S54-N199 PolarHBondContact OG-O 2.94Å; S54-A203 PolarHBondContact OG-N 3.31Å
55L95.7Very high94.6Very high15 Ų1525.7 Ų25.78%0.07911%0.114CC..Hα-helixtrans-59.7-48.8176.8-74.3168.8000112.3G51 F52 F57 W58 L59 A203 F206 F207 L218 V221G51-L55 WeakPolarHBondContact O-CG 3.18Å; G51-L55 PolarHBondContact O-N 3.33Å; F52-L55 PolarHBondContact O-N 3.43Å; L55-F57 PolarHBondContact O-N 3.38Å; L55-W58 PolarHBondContact O-N 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.29Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 3.36Å; L55-A203 HydrophobicContact CD2-CB 3.67Å; L55-A203 HydrophobicContact CG-CB 3.81Å; L55-F206 HydrophobicContact CD1-CD1 3.68Å; L55-F206 HydrophobicContact CD1-CE1 3.92Å; L55-F207 HydrophobicContact CD2-CE2 3.67Å; L55-F207 HydrophobicContact CD2-CZ 3.8Å; L55-L218 HydrophobicContact CD1-CD2 3.94Å; L55-L218 HydrophobicContact CD2-CD2 4Å; L55-V221 HydrophobicContact CB-CG1 4.05Å; L55-V221 HydrophobicContact CD1-CG2 4.4Å
56I96.2Very high95Very high2 Ų224.8 Ų24.81%0.0111%0.111CC..Hα-helixtrans-57.9-51.1177.9-69.7169.4000110T31 L32 F52 L53 W58 L59 L60 V221 Y259T31-I56 HydrophobicContact CG2-CD1 3.96Å; L32-I56 HydrophobicContact CD1-CD1 4.31Å; F52-I56 WeakPolarHBondContact O-CB 3.04Å; F52-I56 VanDerWaalsContact O-CG1 3.27Å; F52-I56 WeakPolarHBondContact O-CG1 3.35Å; F52-I56 PolarHBondContact O-N 3.49Å; L53-I56 PolarHBondContact O-N 2.89Å; I56-W58 PolarHBondContact O-N 2.87Å; I56-L59 PolarHBondContact O-N 3.01Å; I56-L60 HydrophobicContact CG2-CD1 4.01Å; I56-L60 HydrophobicContact CG2-CG 4.5Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 3.07Å; I56-V221 HydrophobicContact CG1-CG1 3.79Å; I56-Y259 HydrophobicContact CD1-CD1 4.26Å; I56-Y259 HydrophobicContact CD1-CE1 4.48Å; I56-Y259 HydrophobicContact CG2-CD1 4.47Å; I56-Y259 HydrophobicContact CG2-CD2 3.56Å; I56-Y259 HydrophobicContact CG2-CE2 3.71Å; I56-Y259 HydrophobicContact CG2-CG 3.98Å
57F97.4Very high95.3Very high33 Ų3319 Ų1915%0.1459%0.09CC..Hα-helixtrans-58.5-51.6-179.2177.9-103000111.7L53 S54 L55 L59 L60 I61 L198 T256 F260L53-F57 WeakPolarHBondContact O-CB 3.31Å; L53-F57 PolarHBondContact O-N 2.95Å; S54-F57 PolarHBondContact O-N 3.11Å; L55-F57 PolarHBondContact O-N 3.38Å; F57-L59 VanDerWaalsContact C-N 3.3Å; F57-L59 PolarHBondContact O-N 2.76Å; F57-L60 WeakPolarHBondContact O-CB 3.29Å; F57-L60 PolarHBondContact O-N 2.9Å; F57-L60 VanDerWaalsContact O-N 3.13Å; F57-I61 HydrophobicContact CD1-CG1 4.31Å; F57-I61 HydrophobicContact CE1-CG1 3.89Å; F57-I61 HydrophobicContact CE2-CD1 4.21Å; F57-I61 HydrophobicContact CE2-CG1 4.2Å; F57-I61 HydrophobicContact CZ-CD1 4.04Å; F57-I61 HydrophobicContact CZ-CG1 3.83Å; F57-I61 WeakPolarHBondContact O-CG1 3.4Å; F57-I61 PolarHBondContact O-N 2.8Å; F57-L198 HydrophobicContact CD1-CD2 3.94Å; F57-L198 HydrophobicContact CD2-CD2 3.79Å; F57-L198 HydrophobicContact CE1-CD2 3.8Å; F57-L198 HydrophobicContact CE2-CD2 3.64Å; F57-L198 HydrophobicContact CG-CD2 3.93Å; F57-L198 HydrophobicContact CZ-CD2 3.64Å; F57-T256 HydrophobicContact CD2-CG2 3.73Å; F57-T256 HydrophobicContact CE2-CG2 3.92Å; F57-F260 HydrophobicContact CB-CE2 4.08Å; F57-F260 HydrophobicContact CB-CZ 4.31Å; F57-F260 HydrophobicContact CD2-CE2 4.48Å
58W96.8Very high95.6Very high99 Ų9916.3 Ų16.338%0.3758%0.075SC..Hα-helixtrans-70.1-25.8-177.1-75.7105.3000113.2S54 L55 I56 I61 F62 L198 P200S54-W58 WeakPolarHBondContact O-CB 3.41Å; S54-W58 PolarHBondContact O-N 2.89Å; L55-W58 PolarHBondContact O-N 3.31Å; I56-W58 PolarHBondContact O-N 2.87Å; W58-I61 HydrophobicContact CE3-CB 4.28Å; W58-I61 HydrophobicContact CE3-CG2 4.29Å; W58-I61 HydrophobicContact CZ3-CG2 4.24Å; W58-F62 WeakPolarHBondContact O-CB 3.28Å; W58-F62 PolarHBondContact O-N 2.67Å; W58-L198 PolarHBondContact NE1-O 3.46Å; W58-P200 HydrophobicContact CD2-CB 4.3Å; W58-P200 HydrophobicContact CG-CB 4.36Å; W58-P200 HydrophobicContact CZ2-CB 4.28Å; W58-P200 HydrophobicContact CZ2-CG 3.99Å
59L95.9Very high95.8Very high15 Ų1516.3 Ų16.38%0.0798%0.075CC..Hα-helixtrans-69.9-40.6168.3-74.1175.2000112.4L55 I56 F57 I61 F62 V63 V64 V221 I225 V407 L411L55-L59 WeakPolarHBondContact O-CB 3.29Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 3.36Å; I56-L59 PolarHBondContact O-N 3.01Å; F57-L59 VanDerWaalsContact C-N 3.3Å; F57-L59 PolarHBondContact O-N 2.76Å; L59-I61 VanDerWaalsContact C-N 3.28Å; L59-I61 PolarHBondContact O-N 2.66Å; L59-F62 PolarHBondContact O-N 2.96Å; L59-V63 HydrophobicContact CD2-CG2 3.86Å; L59-V63 WeakPolarHBondContact O-CA 3.4Å; L59-V63 VanDerWaalsContact O-CB 3.28Å; L59-V63 WeakPolarHBondContact O-CB 3.25Å; L59-V63 PolarHBondContact O-N 3.35Å; L59-V64 PolarHBondContact O-N 3.12Å; L59-V221 HydrophobicContact CD1-CB 4.39Å; L59-V221 HydrophobicContact CD1-CG1 3.44Å; L59-V221 VanDerWaalsContact CD1-CG1 3.44Å; L59-I225 HydrophobicContact CB-CG2 3.97Å; L59-V407 HydrophobicContact CD2-CG1 3.67Å; L59-L411 HydrophobicContact CD1-CD2 4.07Å; L59-L411 HydrophobicContact CD2-CD1 3.9Å; L59-L411 HydrophobicContact CD2-CD2 4.37Å
60L97Very high95.8Very high1 Ų119.7 Ų19.71%0.00510%0.096CC..Iπ-helixtrans-61.3-38.4173.2-66.7169.6000111.5I24 I56 F57 V64 S65 I225 W247 L252 L255 Y259I24-L60 HydrophobicContact CD1-CD2 4.13Å; I56-L60 HydrophobicContact CG2-CD1 4.01Å; I56-L60 HydrophobicContact CG2-CG 4.5Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 3.07Å; F57-L60 WeakPolarHBondContact O-CB 3.29Å; F57-L60 PolarHBondContact O-N 2.9Å; F57-L60 VanDerWaalsContact O-N 3.13Å; L60-V64 HydrophobicContact CD2-CG2 4.24Å; L60-V64 WeakPolarHBondContact O-CB 3.27Å; L60-V64 PolarHBondContact O-N 3.45Å; L60-S65 PolarHBondContact O-N 3.41Å; L60-S65 VanDerWaalsContact O-N 3.08Å; L60-S65 PolarHBondContact O-OG 3.15Å; L60-I225 HydrophobicContact CD2-CG2 4.15Å; L60-W247 HydrophobicContact CB-CZ2 4.41Å; L60-W247 HydrophobicContact CD2-CH2 3.94Å; L60-W247 HydrophobicContact CD2-CZ2 4.41Å; L60-L252 HydrophobicContact CB-CD1 4.02Å; L60-L255 HydrophobicContact CD1-CB 4.44Å; L60-L255 HydrophobicContact CD2-CD1 4.4Å; L60-Y259 HydrophobicContact CD1-CD2 4.35Å; L60-Y259 HydrophobicContact CD1-CE2 4.27Å
61I97.2Very high95.8Very high37 Ų3720.4 Ų20.419%0.1910%0.099CC..Iπ-helixtrans-69.8-55.6174.7-61.2-54.3000111F57 W58 L59 S65 I66 L252F57-I61 HydrophobicContact CD1-CG1 4.31Å; F57-I61 HydrophobicContact CE1-CG1 3.89Å; F57-I61 HydrophobicContact CE2-CD1 4.21Å; F57-I61 HydrophobicContact CE2-CG1 4.2Å; F57-I61 HydrophobicContact CZ-CD1 4.04Å; F57-I61 HydrophobicContact CZ-CG1 3.83Å; F57-I61 WeakPolarHBondContact O-CG1 3.4Å; F57-I61 PolarHBondContact O-N 2.8Å; W58-I61 HydrophobicContact CE3-CB 4.28Å; W58-I61 HydrophobicContact CE3-CG2 4.29Å; W58-I61 HydrophobicContact CZ3-CG2 4.24Å; L59-I61 VanDerWaalsContact C-N 3.28Å; L59-I61 PolarHBondContact O-N 2.66Å; I61-S65 WeakPolarHBondContact O-CA 3.49Å; I61-S65 WeakPolarHBondContact O-CB 3.49Å; I61-S65 PolarHBondContact O-N 3.03Å; I61-I66 HydrophobicContact CG2-CD1 4.18Å; I61-I66 WeakPolarHBondContact O-CG1 3.41Å; I61-I66 PolarHBondContact O-N 2.88Å; I61-L252 HydrophobicContact CD1-CD1 4.2Å; I61-L252 HydrophobicContact CD1-CD2 3.95Å
62F96.8Very high95.8Very high50 Ų5020.4 Ų20.422%0.21910%0.099CC..Iπ-helixtrans-73.9-53.1-171.2-174.4-97000112.8W58 L59 I66 K67 A403 F404 V407W58-F62 WeakPolarHBondContact O-CB 3.28Å; W58-F62 PolarHBondContact O-N 2.67Å; L59-F62 PolarHBondContact O-N 2.96Å; F62-I66 WeakPolarHBondContact O-CB 3.26Å; F62-K67 WeakPolarHBondContact O-CB 3.34Å; F62-K67 PolarHBondContact O-N 2.61Å; F62-A403 HydrophobicContact CZ-CB 4.35Å; F62-A403 WeakPolarHBondContact CZ-O 3Å; F62-F404 AromaticContact CE1-CD1 3.97Å; F62-F404 HydrophobicContact CE1-CD1 3.97Å; F62-F404 AromaticContact CZ-CD1 3.76Å; F62-F404 HydrophobicContact CZ-CD1 3.76Å; F62-F404 HydrophobicContact CZ-CE1 4.28Å; F62-V407 HydrophobicContact CD1-CB 4.09Å; F62-V407 HydrophobicContact CD1-CG1 4.17Å; F62-V407 HydrophobicContact CD1-CG2 3.69Å; F62-V407 HydrophobicContact CE1-CB 3.82Å; F62-V407 HydrophobicContact CE1-CG1 4.39Å; F62-V407 HydrophobicContact CE1-CG2 3.43Å; F62-V407 VanDerWaalsContact CE1-CG2 3.43Å; F62-V407 HydrophobicContact CZ-CG2 4.11Å
63V96.3Very high95.8Very high0 Ų020.4 Ų20.40%010%0.099CC..Iπ-helixtrans-73.4-57.1-176.4-1780000109.7L59 K67 Y68 I225 M375 V407L59-V63 HydrophobicContact CD2-CG2 3.86Å; L59-V63 WeakPolarHBondContact O-CA 3.4Å; L59-V63 VanDerWaalsContact O-CB 3.28Å; L59-V63 WeakPolarHBondContact O-CB 3.25Å; L59-V63 PolarHBondContact O-N 3.35Å; V63-K67 HydrophobicContact CG1-CD 4.49Å; V63-K67 VanDerWaalsContact O-CB 3.29Å; V63-K67 WeakPolarHBondContact O-CB 3.41Å; V63-K67 PolarHBondContact O-N 3.08Å; V63-Y68 HydrophobicContact CG1-CD2 4.02Å; V63-Y68 HydrophobicContact CG1-CE2 3.94Å; V63-Y68 WeakPolarHBondContact O-CD2 3.15Å; V63-Y68 PolarHBondContact O-N 2.77Å; V63-I225 HydrophobicContact CB-CD1 4.35Å; V63-I225 HydrophobicContact CG1-CD1 4.16Å; V63-I225 HydrophobicContact CG2-CD1 4.17Å; V63-M375 HydrophobicContact CG1-CE 4.36Å; V63-M375 HydrophobicContact CG1-SD 4.42Å; V63-V407 HydrophobicContact CG2-CG1 4.12Å
64V96Very high95.5Very high1 Ų126.4 Ų26.41%0.00612%0.121CC..Iπ-helixtrans-75.6-53.7-172.5-165.70000111.2I24 L59 L60 L69 I225 V228 W247I24-V64 HydrophobicContact CD1-CG1 4.47Å; I24-V64 HydrophobicContact CD1-CG2 3.96Å; L59-V64 PolarHBondContact O-N 3.12Å; L60-V64 HydrophobicContact CD2-CG2 4.24Å; L60-V64 WeakPolarHBondContact O-CB 3.27Å; L60-V64 PolarHBondContact O-N 3.45Å; V64-L69 HydrophobicContact CG1-CD1 4.5Å; V64-L69 WeakPolarHBondContact O-CB 3.33Å; V64-L69 VanDerWaalsContact O-CG 3.3Å; V64-L69 WeakPolarHBondContact O-CG 3.46Å; V64-L69 PolarHBondContact O-N 2.83Å; V64-I225 HydrophobicContact CG2-CB 4.42Å; V64-I225 HydrophobicContact CG2-CG2 4.03Å; V64-V228 HydrophobicContact CB-CG2 4.4Å; V64-V228 HydrophobicContact CG1-CG2 4.17Å; V64-V228 HydrophobicContact CG2-CG2 3.58Å; V64-W247 HydrophobicContact CB-CH2 3.78Å; V64-W247 HydrophobicContact CB-CZ2 3.49Å; V64-W247 VanDerWaalsContact CB-CZ2 3.49Å; V64-W247 HydrophobicContact CG1-CD2 4.18Å; V64-W247 HydrophobicContact CG1-CE3 4.21Å; V64-W247 HydrophobicContact CG1-CH2 3.44Å; V64-W247 VanDerWaalsContact CG1-CH2 3.44Å; V64-W247 HydrophobicContact CG1-CZ2 3.41Å; V64-W247 VanDerWaalsContact CG1-CZ2 3.41Å; V64-W247 HydrophobicContact CG1-CZ3 3.85Å; V64-W247 HydrophobicContact CG2-CH2 4.03Å; V64-W247 HydrophobicContact CG2-CZ2 4.14Å
65S96.5Very high95.3Very high5 Ų526.4 Ų26.44%0.03512%0.122CC..Iπ-helixtrans-75.2-46.1-170.6-43.10000113.3L60 I61 L69 T70 W247L60-S65 PolarHBondContact O-N 3.41Å; L60-S65 VanDerWaalsContact O-N 3.08Å; L60-S65 PolarHBondContact O-OG 3.15Å; I61-S65 WeakPolarHBondContact O-CA 3.49Å; I61-S65 WeakPolarHBondContact O-CB 3.49Å; I61-S65 PolarHBondContact O-N 3.03Å; S65-L69 WeakPolarHBondContact O-CB 3.25Å; S65-T70 PolarHBondContact O-N 2.96Å; S65-T70 PolarHBondContact O-OG1 2.89Å; S65-W247 PolarHBondContact OG-NE1 3.06Å
66I96.2Very high94.8Very high83 Ų8328 Ų2843%0.42613%0.13SC..Iπ-helixtrans-86.7-59.9-176.9-61.4172.4000110.5I61 F62 T70 F71I61-I66 HydrophobicContact CG2-CD1 4.18Å; I61-I66 WeakPolarHBondContact O-CG1 3.41Å; I61-I66 PolarHBondContact O-N 2.88Å; F62-I66 WeakPolarHBondContact O-CB 3.26Å; I66-T70 WeakPolarHBondContact O-CB 3.46Å; I66-T70 PolarHBondContact O-N 3.15Å; I66-F71 PolarHBondContact O-N 2.91Å
67K96.8Very high94Very high0 Ų029.1 Ų29.10%014%0.136CC..Iπ-helixtrans-65.1-60.1-175.1171.5-174.4171.5-175.50111.4F62 V63 F71 V72 M375 S379 F404 D408F62-K67 WeakPolarHBondContact O-CB 3.34Å; F62-K67 PolarHBondContact O-N 2.61Å; V63-K67 HydrophobicContact CG1-CD 4.49Å; V63-K67 VanDerWaalsContact O-CB 3.29Å; V63-K67 WeakPolarHBondContact O-CB 3.41Å; V63-K67 PolarHBondContact O-N 3.08Å; K67-F71 CarbonylContact O-C 3.59Å; K67-F71 WeakPolarHBondContact O-CA 3.31Å; K67-F71 VanDerWaalsContact O-CB 3.31Å; K67-F71 WeakPolarHBondContact O-CB 3.47Å; K67-F71 PolarHBondContact O-N 3.2Å; K67-V72 HydrophobicContact CG-CG2 4.13Å; K67-V72 WeakPolarHBondContact O-CG2 3.47Å; K67-V72 PolarHBondContact O-N 3.42Å; K67-M375 PolarHBondContact NZ-O 3.16Å; K67-S379 WeakPolarHBondContact CE-OG 3.39Å; K67-S379 PolarHBondContact NZ-OG 3.22Å; K67-F404 HydrophobicContact CB-CD1 3.96Å; K67-F404 HydrophobicContact CB-CE1 3.56Å; K67-F404 HydrophobicContact CB-CE2 4.44Å; K67-F404 HydrophobicContact CB-CZ 3.83Å; K67-F404 HydrophobicContact CD-CB 4.48Å; K67-F404 HydrophobicContact CD-CD1 4.18Å; K67-F404 HydrophobicContact CD-CD2 4.4Å; K67-F404 HydrophobicContact CD-CG 4.12Å; K67-F404 HydrophobicContact CG-CD1 4.05Å; K67-F404 HydrophobicContact CG-CD2 4.13Å; K67-F404 HydrophobicContact CG-CE1 3.92Å; K67-F404 HydrophobicContact CG-CE2 4Å; K67-F404 HydrophobicContact CG-CG 4.17Å; K67-F404 HydrophobicContact CG-CZ 3.89Å; K67-D408 IonicContact NZ-OD1 3.74Å; K67-D408 PolarHBondContact NZ-OD1 2.97Å; K67-D408 IonicContact NZ-OD2 3.84Å; K67-D408 PolarHBondContact NZ-OD2 2.87Å
68Y95.7Very high92.8Very high0 Ų030.2 Ų30.20%015%0.151CC..Iπ-helixtrans-76.7-59-173-82.3-101.5000113.3V63 T70 V72 M73 V228 E229 M375 T378V63-Y68 HydrophobicContact CG1-CD2 4.02Å; V63-Y68 HydrophobicContact CG1-CE2 3.94Å; V63-Y68 WeakPolarHBondContact O-CD2 3.15Å; V63-Y68 PolarHBondContact O-N 2.77Å; Y68-T70 PolarHBondContact O-N 2.79Å; Y68-V72 HydrophobicContact CD1-CB 4.22Å; Y68-V72 HydrophobicContact CD1-CG1 4.21Å; Y68-V72 HydrophobicContact CD1-CG2 4.37Å; Y68-V72 HydrophobicContact CE1-CG1 4.46Å; Y68-V72 HydrophobicContact CG-CB 4.47Å; Y68-V72 HydrophobicContact CG-CG2 4.4Å; Y68-V72 PolarHBondContact O-N 3.29Å; Y68-M73 WeakPolarHBondContact O-CG 3.13Å; Y68-M73 PolarHBondContact O-N 3.06Å; Y68-V228 HydrophobicContact CD1-CG1 3.39Å; Y68-V228 HydrophobicContact CD2-CG1 3.28Å; Y68-V228 HydrophobicContact CE1-CG1 3.77Å; Y68-V228 HydrophobicContact CE2-CG1 3.66Å; Y68-V228 HydrophobicContact CG-CG1 3.11Å; Y68-E229 HydrophobicContact CE1-CG 4.49Å; Y68-E229 WeakPolarHBondContact CE1-OE1 3.4Å; Y68-E229 PolarHBondContact OH-OE1 3.21Å; Y68-M375 HydrophobicContact CE2-CG 4.47Å; Y68-M375 WeakPolarHBondContact OH-CG 3.49Å; Y68-T378 HydrophobicContact CE1-CG2 4.09Å
69L94.1Very high91.8Very high0 Ų026.7 Ų26.70%015%0.146CC..Iπ-helixtrans-64.8-38.6-173.5-70.7-178.5000112.6V64 S65 M73 L231 I243 R244 W247 F248V64-L69 HydrophobicContact CG1-CD1 4.5Å; V64-L69 WeakPolarHBondContact O-CB 3.33Å; V64-L69 VanDerWaalsContact O-CG 3.3Å; V64-L69 WeakPolarHBondContact O-CG 3.46Å; V64-L69 PolarHBondContact O-N 2.83Å; S65-L69 WeakPolarHBondContact O-CB 3.25Å; L69-M73 HydrophobicContact CD2-SD 3.49Å; L69-M73 WeakPolarHBondContact CD2-SD 3.49Å; L69-L231 HydrophobicContact CD2-CD1 3.92Å; L69-L231 HydrophobicContact CD2-CD2 3.85Å; L69-L231 HydrophobicContact CD2-CG 4.49Å; L69-I243 HydrophobicContact CD2-CG2 3.77Å; L69-R244 HydrophobicContact CB-CG 4.3Å; L69-R244 HydrophobicContact CD2-CG 4.31Å; L69-R244 PolarHBondContact O-NE 3.42Å; L69-R244 PolarHBondContact O-NH2 3.04Å; L69-W247 HydrophobicContact CD1-CB 3.53Å; L69-W247 HydrophobicContact CD1-CD2 3.87Å; L69-W247 HydrophobicContact CD1-CG 3.23Å; L69-F248 HydrophobicContact CD1-CE2 4.42Å
70T92.3Very high90.9Very high71 Ų7126.3 Ų26.344%0.43614%0.144SC..Iπ-helixtrans-90.3-44.5-176.2-53.80000112.7S65 I66 Y68 R74 R244S65-T70 PolarHBondContact O-N 2.96Å; S65-T70 PolarHBondContact O-OG1 2.89Å; I66-T70 WeakPolarHBondContact O-CB 3.46Å; I66-T70 PolarHBondContact O-N 3.15Å; Y68-T70 PolarHBondContact O-N 2.79Å; T70-R74 VanDerWaalsContact O-CD 3.28Å; T70-R74 WeakPolarHBondContact O-CD 3.49Å; T70-R74 WeakPolarHBondContact O-CG 3.38Å; T70-R244 PolarHBondContact O-NH2 2.97Å
71F94.6Very high90.3Very high15 Ų1526.3 Ų26.37%0.06614%0.143CC..Iπ-helixtrans-98.6-60.5-174-177.7-96.6000113.9I66 K67 M73 R74 S382 T383 A386 W390 W392 I400 F404I66-F71 PolarHBondContact O-N 2.91Å; K67-F71 CarbonylContact O-C 3.59Å; K67-F71 WeakPolarHBondContact O-CA 3.31Å; K67-F71 VanDerWaalsContact O-CB 3.31Å; K67-F71 WeakPolarHBondContact O-CB 3.47Å; K67-F71 PolarHBondContact O-N 3.2Å; F71-M73 PolarHBondContact O-N 3.28Å; F71-R74 VanDerWaalsContact O-CB 3.27Å; F71-R74 WeakPolarHBondContact O-CB 3.44Å; F71-R74 PolarHBondContact O-N 3.25Å; F71-S382 WeakPolarHBondContact CE1-OG 3.36Å; F71-T383 HydrophobicContact CE1-CG2 4.14Å; F71-T383 HydrophobicContact CZ-CG2 4.11Å; F71-A386 HydrophobicContact CE2-CB 4.16Å; F71-A386 HydrophobicContact CZ-CB 3.89Å; F71-W390 HydrophobicContact CD2-CZ3 4.4Å; F71-W390 AromaticContact CE2-CZ3 3.94Å; F71-W390 HydrophobicContact CE2-CZ3 3.94Å; F71-W390 HydrophobicContact CZ-CZ3 4.35Å; F71-W392 HydrophobicContact CD2-CH2 4.32Å; F71-W392 HydrophobicContact CD2-CZ3 4.1Å; F71-W392 HydrophobicContact CE2-CE3 4.36Å; F71-W392 HydrophobicContact CE2-CH2 4.13Å; F71-W392 AromaticContact CE2-CZ3 3.59Å; F71-W392 HydrophobicContact CE2-CZ3 3.59Å; F71-I400 HydrophobicContact CD2-CD1 4.5Å; F71-I400 HydrophobicContact CE1-CG2 4.39Å; F71-I400 HydrophobicContact CE2-CD1 4.09Å; F71-I400 HydrophobicContact CE2-CG2 4.24Å; F71-I400 HydrophobicContact CZ-CG2 4.14Å; F71-F404 HydrophobicContact CB-CE2 4.46Å; F71-F404 HydrophobicContact CB-CZ 4.1Å; F71-F404 AromaticContact CD1-CE2 3.5Å; F71-F404 HydrophobicContact CD1-CE2 3.5Å; F71-F404 VanDerWaalsContact CD1-CE2 3.5Å; F71-F404 AromaticContact CD1-CZ 4Å; F71-F404 HydrophobicContact CD1-CZ 4Å; F71-F404 AromaticContact CE1-CE2 3.82Å; F71-F404 HydrophobicContact CE1-CE2 3.82Å; F71-F404 HydrophobicContact CG-CE2 4.05Å; F71-F404 HydrophobicContact CG-CZ 4.11Å
72V94.8Very high89.9Confident0 Ų024.7 Ų24.70%014%0.136CC..G310 helixtrans-62.5-42.5-172.7178.40000111.9K67 Y68 R74 A75 Y232 T378K67-V72 HydrophobicContact CG-CG2 4.13Å; K67-V72 WeakPolarHBondContact O-CG2 3.47Å; K67-V72 PolarHBondContact O-N 3.42Å; Y68-V72 HydrophobicContact CD1-CB 4.22Å; Y68-V72 HydrophobicContact CD1-CG1 4.21Å; Y68-V72 HydrophobicContact CD1-CG2 4.37Å; Y68-V72 HydrophobicContact CE1-CG1 4.46Å; Y68-V72 HydrophobicContact CG-CB 4.47Å; Y68-V72 HydrophobicContact CG-CG2 4.4Å; Y68-V72 PolarHBondContact O-N 3.29Å; V72-R74 PolarHBondContact O-N 2.81Å; V72-A75 WeakPolarHBondContact O-CB 3.29Å; V72-A75 PolarHBondContact O-N 2.99Å; V72-Y232 HydrophobicContact CG1-CD1 3.82Å; V72-Y232 HydrophobicContact CG1-CD2 3.93Å; V72-Y232 HydrophobicContact CG1-CE1 3.72Å; V72-Y232 HydrophobicContact CG1-CE2 3.83Å; V72-Y232 HydrophobicContact CG1-CG 3.94Å; V72-T378 HydrophobicContact CG1-CG2 3.79Å; V72-T378 HydrophobicContact CG2-CG2 3.91Å
73M92.3Very high89.7Confident0 Ų022.5 Ų22.50%013%0.126CC..G310 helixtrans-60.6-16.9176.1-72.9-174.391.200113.7Y68 L69 F71 A75 L231 Y232 M235 K240 I243Y68-M73 WeakPolarHBondContact O-CG 3.13Å; Y68-M73 PolarHBondContact O-N 3.06Å; L69-M73 HydrophobicContact CD2-SD 3.49Å; L69-M73 WeakPolarHBondContact CD2-SD 3.49Å; F71-M73 PolarHBondContact O-N 3.28Å; M73-A75 VanDerWaalsContact C-N 3.26Å; M73-L231 HydrophobicContact SD-CD2 4.18Å; M73-Y232 HydrophobicContact CG-CD2 4.43Å; M73-M235 HydrophobicContact CB-SD 3.84Å; M73-M235 HydrophobicContact CE-CB 4.08Å; M73-M235 HydrophobicContact CE-CG 3.69Å; M73-M235 HydrophobicContact CE-SD 3.7Å; M73-M235 HydrophobicContact CG-SD 4.06Å; M73-M235 VanDerWaalsContact O-SD 3.37Å; M73-K240 HydrophobicContact CB-CG 4.5Å; M73-K240 HydrophobicContact CE-CB 4.21Å; M73-K240 HydrophobicContact CE-CG 4.21Å; M73-K240 VanDerWaalsContact O-CD 3.29Å; M73-K240 WeakPolarHBondContact O-CD 3.43Å; M73-K240 WeakPolarHBondContact O-CE 3.28Å; M73-K240 PolarHBondContact O-NZ 2.97Å; M73-I243 HydrophobicContact CE-CB 3.98Å; M73-I243 HydrophobicContact CE-CD1 3.71Å; M73-I243 HydrophobicContact CE-CG1 4.42Å; M73-I243 HydrophobicContact CE-CG2 3.81Å; M73-I243 HydrophobicContact SD-CG2 4.18Å
74R91.5Very high89.4Confident127 Ų12722.5 Ų22.548%0.47913%0.126SC..G310 helixtrans-70.3-26.2172.2-67.1177.267.1141.63.7112T70 F71 V72 D76 K240 W390T70-R74 VanDerWaalsContact O-CD 3.28Å; T70-R74 WeakPolarHBondContact O-CD 3.49Å; T70-R74 WeakPolarHBondContact O-CG 3.38Å; F71-R74 VanDerWaalsContact O-CB 3.27Å; F71-R74 WeakPolarHBondContact O-CB 3.44Å; F71-R74 PolarHBondContact O-N 3.25Å; V72-R74 PolarHBondContact O-N 2.81Å; R74-D76 VanDerWaalsContact C-N 3.28Å; R74-D76 PolarHBondContact O-N 3.4Å; R74-D76 VanDerWaalsContact O-N 3.1Å; R74-K240 PolarHBondContact O-NZ 3.28Å; R74-W390 VanDerWaalsContact C-CZ2 3.42Å; R74-W390 HydrophobicContact CB-CH2 3.43Å; R74-W390 VanDerWaalsContact CB-CH2 3.43Å; R74-W390 HydrophobicContact CB-CZ2 3.71Å; R74-W390 HydrophobicContact CB-CZ3 4.27Å; R74-W390 WeakPolarHBondContact O-CZ2 3.47Å
75A90.4Very high89.1Confident1 Ų122.9 Ų22.91%0.00813%0.129CC..SBendtrans-85.267.6178.400000110.6V72 M73 L86 Y232 V385 W390V72-A75 WeakPolarHBondContact O-CB 3.29Å; V72-A75 PolarHBondContact O-N 2.99Å; M73-A75 VanDerWaalsContact C-N 3.26Å; A75-L86 HydrophobicContact CB-CD1 3.48Å; A75-L86 VanDerWaalsContact CB-CD1 3.48Å; A75-Y232 PolarHBondContact O-OH 3.31Å; A75-V385 HydrophobicContact CB-CB 4.46Å; A75-V385 HydrophobicContact CB-CG1 4.04Å; A75-W390 HydrophobicContact CB-CH2 4.12Å; A75-W390 HydrophobicContact CB-CZ2 3.87Å
76D87.1Confident88.9Confident47 Ų4722.7 Ų22.725%0.25113%0.127SC..  trans-102.7154.617473-51.4000111.5R74 G79 E80 M235 K240R74-D76 VanDerWaalsContact C-N 3.28Å; R74-D76 PolarHBondContact O-N 3.4Å; R74-D76 VanDerWaalsContact O-N 3.1Å; D76-G79 VanDerWaalsContact OD2-CA 3.29Å; D76-G79 WeakPolarHBondContact OD2-CA 3.41Å; D76-G79 PolarHBondContact OD2-N 2.84Å; D76-E80 VanDerWaalsContact CA-O 3.27Å; D76-E80 WeakPolarHBondContact CA-O 3.5Å; D76-E80 WeakPolarHBondContact CB-O 3.47Å; D76-M235 HydrophobicContact CB-CE 3.28Å; D76-M235 HydrophobicContact CB-SD 4.31Å; D76-K240 VanDerWaalsContact CG-CE 3.49Å; D76-K240 IonicContact OD1-NZ 3.07Å; D76-K240 PolarHBondContact OD1-NZ 3.01Å; D76-K240 IonicContact OD2-NZ 2.8Å
77N79.1Confident88.7Confident26 Ų2618.9 Ų18.914%0.13911%0.108CC..BIsolated β-bridgetrans-111.896168.2-16939.9000108.4G79 E80 T85 L89 R92N77-G79 PolarHBondContact O-N 3.02Å; N77-E80 PolarHBondContact N-O 3.43Å; N77-E80 PolarHBondContact O-N 3.42Å; N77-T85 HydrophobicContact CB-CG2 3.46Å; N77-T85 VanDerWaalsContact CB-CG2 3.46Å; N77-L89 HydrophobicContact CB-CD1 4.15Å; N77-L89 HydrophobicContact CB-CD2 3.96Å; N77-L89 HydrophobicContact CB-CG 4.14Å; N77-R92 PolarHBondContact ND2-NH2 2.97Å; N77-R92 PolarHBondContact OD1-NH1 3.5Å; N77-R92 PolarHBondContact OD1-NH2 2.8Å; N77-R92 VanDerWaalsContact OD1-NH2 3.1Å
78A71.8Confident88.3Confident56 Ų5620.5 Ų20.546%0.46312%0.119SC..THydrogen-bonded Turntrans54.347.7-177.100000113.5E80 P516A78-E80 PolarHBondContact O-N 2.78Å; A78-P516 VanDerWaalsContact CB-CD 3.47Å; A78-P516 HydrophobicContact CB-CG 3.79Å
79G74.5Confident88.1Confident25 Ų2521 Ų2126%0.25812%0.122SC..THydrogen-bonded Turntrans91.1-22.7179.500000115D76 N77 M235 G236D76-G79 VanDerWaalsContact OD2-CA 3.29Å; D76-G79 WeakPolarHBondContact OD2-CA 3.41Å; D76-G79 PolarHBondContact OD2-N 2.84Å; N77-G79 PolarHBondContact O-N 3.02Å; G79-M235 CarbonylContact O-C 3.58Å; G79-G236 WeakPolarHBondContact O-CA 3.37Å; G79-G236 PolarHBondContact O-N 3.01Å
80E77.5Confident88Confident8 Ų821 Ų214%0.03712%0.122CC..BIsolated β-bridgetrans-79.5140.2178.4-61-77.4143.900111.4D76 N77 A78 T85 R313 W542 R543D76-E80 VanDerWaalsContact CA-O 3.27Å; D76-E80 WeakPolarHBondContact CA-O 3.5Å; D76-E80 WeakPolarHBondContact CB-O 3.47Å; N77-E80 PolarHBondContact N-O 3.43Å; N77-E80 PolarHBondContact O-N 3.42Å; A78-E80 PolarHBondContact O-N 2.78Å; E80-T85 HydrophobicContact CB-CG2 4.47Å; E80-T85 WeakPolarHBondContact O-CG2 3Å; E80-R313 IonicContact OE1-NH2 2.78Å; E80-R313 IonicContact OE2-NH2 3.24Å; E80-R313 PolarHBondContact OE2-NH2 3.43Å; E80-R313 VanDerWaalsContact OE2-NH2 3.09Å; E80-W542 VanDerWaalsContact CD-CH2 3.45Å; E80-W542 HydrophobicContact CG-CH2 3.1Å; E80-W542 HydrophobicContact CG-CZ2 3.47Å; E80-W542 VanDerWaalsContact CG-CZ2 3.47Å; E80-W542 HydrophobicContact CG-CZ3 3.94Å; E80-W542 WeakPolarHBondContact OE1-CH2 3.4Å; E80-W542 WeakPolarHBondContact OE1-CZ3 3.13Å; E80-R543 IonicContact OE1-CZ 2.84Å; E80-R543 IonicContact OE1-NE 2.76Å; E80-R543 IonicContact OE1-NH2 3.33Å; E80-R543 PolarHBondContact OE1-NH2 3.3Å
81G85.2Confident87.9Confident0 Ų018.2 Ų18.20%011%0.107CC..  trans-116.5-156.916900000112.1T85 Y232 Q314G81-T85 WeakPolarHBondContact O-CB 3.47Å; G81-T85 PolarHBondContact O-OG1 3.44Å; G81-Y232 CarbonylContact C-O 3.35Å; G81-Y232 VanDerWaalsContact CA-O 3.25Å; G81-Y232 WeakPolarHBondContact CA-O 3.31Å; G81-Q314 PolarHBondContact O-NE2 3.27Å
82G88.3Confident87.5Confident3 Ų321.6 Ų21.63%0.03112%0.12CC..SBendtrans91.7158.4-175.100000113.3L84 T85 L86 Y232G82-L84 PolarHBondContact O-N 3.32Å; G82-T85 WeakPolarHBondContact O-CB 3.41Å; G82-T85 PolarHBondContact O-N 3.46Å; G82-L86 PolarHBondContact O-N 3.31Å; G82-Y232 VanDerWaalsContact C-CE1 3.46Å; G82-Y232 VanDerWaalsContact CA-CD1 3.5Å; G82-Y232 PolarHBondContact N-O 2.72Å; G82-Y232 WeakPolarHBondContact O-CE1 3.37Å
83I92.1Very high87.2Confident4 Ų427.6 Ų27.62%0.02115%0.152CC..Hα-helixtrans-66.1-31.8-169.5-168154.4000114.4L86 M87 L311 T374 L377 L381I83-L86 PolarHBondContact O-N 3.34Å; I83-M87 VanDerWaalsContact O-CB 3.29Å; I83-M87 WeakPolarHBondContact O-CB 3.48Å; I83-M87 PolarHBondContact O-N 3.19Å; I83-L311 HydrophobicContact CG2-CD1 4.37Å; I83-T374 HydrophobicContact CD1-CG2 3.62Å; I83-L377 HydrophobicContact CD1-CB 4.22Å; I83-L381 HydrophobicContact CD1-CD1 4.26Å; I83-L381 HydrophobicContact CG1-CD1 3.88Å
84L91Very high87.1Confident0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-71.7-35.8175.1-65.3-178000112G82 M87 S88 L107 L311 Q314 A315 L318G82-L84 PolarHBondContact O-N 3.32Å; L84-M87 HydrophobicContact CD2-CE 4.07Å; L84-M87 HydrophobicContact CD2-SD 4.27Å; L84-M87 WeakPolarHBondContact O-CB 3.43Å; L84-S88 PolarHBondContact O-N 2.92Å; L84-L107 HydrophobicContact CD2-CD2 4.26Å; L84-L311 HydrophobicContact CB-CD1 4.3Å; L84-L311 HydrophobicContact CD1-CD1 3.52Å; L84-L311 HydrophobicContact CD1-CG 4.08Å; L84-L311 HydrophobicContact CG-CD1 3.59Å; L84-Q314 HydrophobicContact CB-CB 4.38Å; L84-Q314 HydrophobicContact CD1-CB 4.29Å; L84-A315 HydrophobicContact CD1-CB 3.74Å; L84-L318 HydrophobicContact CB-CD1 4.01Å
85T88.7Confident87.1Confident10 Ų1026 Ų266%0.06116%0.159CC..Hα-helixtrans-63.5-46.4170.5-57.70000110.2N77 E80 G81 G82 M87 S88 L89 Q314N77-T85 HydrophobicContact CB-CG2 3.46Å; N77-T85 VanDerWaalsContact CB-CG2 3.46Å; E80-T85 HydrophobicContact CB-CG2 4.47Å; E80-T85 WeakPolarHBondContact O-CG2 3Å; G81-T85 WeakPolarHBondContact O-CB 3.47Å; G81-T85 PolarHBondContact O-OG1 3.44Å; G82-T85 WeakPolarHBondContact O-CB 3.41Å; G82-T85 PolarHBondContact O-N 3.46Å; T85-M87 VanDerWaalsContact C-N 3.33Å; T85-M87 PolarHBondContact O-N 3.22Å; T85-S88 PolarHBondContact O-N 2.96Å; T85-S88 VanDerWaalsContact O-N 3.12Å; T85-S88 PolarHBondContact O-OG 3.29Å; T85-L89 HydrophobicContact CG2-CD1 4.28Å; T85-L89 WeakPolarHBondContact O-CG 3.16Å; T85-L89 PolarHBondContact O-N 3.45Å; T85-Q314 PolarHBondContact OG1-NE2 2.94Å; T85-Q314 PolarHBondContact OG1-OE1 3.34Å
86L92.1Very high87.1Confident0 Ų029.8 Ų29.80%019%0.191CC..Hα-helixtrans-60.6-42178.3-170.560.2000112.2A75 G82 I83 L89 A90 Y232 T378 L381 V385A75-L86 HydrophobicContact CB-CD1 3.48Å; A75-L86 VanDerWaalsContact CB-CD1 3.48Å; G82-L86 PolarHBondContact O-N 3.31Å; I83-L86 PolarHBondContact O-N 3.34Å; L86-L89 PolarHBondContact O-N 2.88Å; L86-A90 VanDerWaalsContact O-CB 3.3Å; L86-A90 WeakPolarHBondContact O-CB 3.3Å; L86-A90 PolarHBondContact O-N 3.21Å; L86-Y232 HydrophobicContact CB-CE1 4.17Å; L86-Y232 HydrophobicContact CD2-CE1 4.27Å; L86-T378 HydrophobicContact CD2-CG2 3.98Å; L86-L381 HydrophobicContact CD2-CB 3.7Å; L86-L381 HydrophobicContact CG-CB 3.72Å; L86-V385 HydrophobicContact CD1-CG2 3.96Å
87M93.3Very high87.4Confident4 Ų436.7 Ų36.72%0.0221%0.213CC..Hα-helixtrans-57-47.6172.1174.5-162.770.200112I83 L84 T85 L89 A90 G91 L102 V103 L107 L318 Y320I83-M87 VanDerWaalsContact O-CB 3.29Å; I83-M87 WeakPolarHBondContact O-CB 3.48Å; I83-M87 PolarHBondContact O-N 3.19Å; L84-M87 HydrophobicContact CD2-CE 4.07Å; L84-M87 HydrophobicContact CD2-SD 4.27Å; L84-M87 WeakPolarHBondContact O-CB 3.43Å; T85-M87 VanDerWaalsContact C-N 3.33Å; T85-M87 PolarHBondContact O-N 3.22Å; M87-L89 VanDerWaalsContact C-N 3.31Å; M87-L89 PolarHBondContact O-N 2.71Å; M87-A90 PolarHBondContact O-N 3.42Å; M87-G91 PolarHBondContact O-N 2.89Å; M87-G91 VanDerWaalsContact O-N 3.08Å; M87-L102 WeakPolarHBondContact CG-O 3.43Å; M87-V103 HydrophobicContact CG-CG2 4.43Å; M87-V103 HydrophobicContact SD-CB 4.31Å; M87-V103 HydrophobicContact SD-CG1 4.3Å; M87-V103 HydrophobicContact SD-CG2 4.35Å; M87-V103 VanDerWaalsContact SD-O 3.37Å; M87-L107 HydrophobicContact SD-CG 4.31Å; M87-L318 HydrophobicContact CE-CD1 3.87Å; M87-Y320 HydrophobicContact CE-CD2 4.48Å; M87-Y320 HydrophobicContact CE-CE2 3.73Å
88S88.8Confident88Confident34 Ų3438 Ų3824%0.23822%0.222CC..Hα-helixtrans-63.5-38.7179.678.90000111.9L84 T85L84-S88 PolarHBondContact O-N 2.92Å; T85-S88 PolarHBondContact O-N 2.96Å; T85-S88 VanDerWaalsContact O-N 3.12Å; T85-S88 PolarHBondContact O-OG 3.29Å
89L90.6Very high89Confident9 Ų937.2 Ų37.25%0.04721%0.212CC..Hα-helixtrans-68.1-46.7175.6-71.4170.8000111.1N77 T85 L86 M87 G91 R92 V385 N389N77-L89 HydrophobicContact CB-CD1 4.15Å; N77-L89 HydrophobicContact CB-CD2 3.96Å; N77-L89 HydrophobicContact CB-CG 4.14Å; T85-L89 HydrophobicContact CG2-CD1 4.28Å; T85-L89 WeakPolarHBondContact O-CG 3.16Å; T85-L89 PolarHBondContact O-N 3.45Å; L86-L89 PolarHBondContact O-N 2.88Å; M87-L89 VanDerWaalsContact C-N 3.31Å; M87-L89 PolarHBondContact O-N 2.71Å; L89-G91 PolarHBondContact O-N 3.49Å; L89-R92 WeakPolarHBondContact O-CB 3.15Å; L89-R92 PolarHBondContact O-N 3.33Å; L89-R92 VanDerWaalsContact O-N 3.08Å; L89-V385 HydrophobicContact CB-CG2 3.71Å; L89-N389 PolarHBondContact O-ND2 2.93Å
90A92.5Very high89.9Confident0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-61.7-32.1-17800000111.9L86 M87 R92 T94 L102 L381 T384 V385L86-A90 VanDerWaalsContact O-CB 3.3Å; L86-A90 WeakPolarHBondContact O-CB 3.3Å; L86-A90 PolarHBondContact O-N 3.21Å; M87-A90 PolarHBondContact O-N 3.42Å; A90-R92 VanDerWaalsContact C-N 3.31Å; A90-R92 PolarHBondContact O-N 2.76Å; A90-T94 WeakPolarHBondContact O-CG2 3.45Å; A90-L102 HydrophobicContact CB-CD1 4.12Å; A90-L102 HydrophobicContact CB-CD2 4.37Å; A90-L102 VanDerWaalsContact O-CD1 3.27Å; A90-L102 WeakPolarHBondContact O-CD1 3.2Å; A90-L381 HydrophobicContact CB-CB 4.42Å; A90-L381 HydrophobicContact CB-CD2 4.06Å; A90-T384 HydrophobicContact CB-CG2 4.11Å; A90-V385 HydrophobicContact CB-CG2 3.88Å
91G89.7Confident90.7Very high13 Ų1343.6 Ų43.613%0.13424%0.244CC..Hα-helixtrans-70.7-20.1177.100000114.7M87 L89 T94M87-G91 PolarHBondContact O-N 2.89Å; M87-G91 VanDerWaalsContact O-N 3.08Å; L89-G91 PolarHBondContact O-N 3.49Å; G91-T94 PolarHBondContact O-N 3.3Å; G91-T94 PolarHBondContact O-OG1 2.9Å
92R87Confident91.2Very high86 Ų8644 Ų4433%0.32525%0.246SC..THydrogen-bonded Turntrans-65141.7179.5-63.9-179.3179.9172.22.2110.3N77 L89 A90 T94 N389N77-R92 PolarHBondContact ND2-NH2 2.97Å; N77-R92 PolarHBondContact OD1-NH1 3.5Å; N77-R92 PolarHBondContact OD1-NH2 2.8Å; N77-R92 VanDerWaalsContact OD1-NH2 3.1Å; L89-R92 WeakPolarHBondContact O-CB 3.15Å; L89-R92 PolarHBondContact O-N 3.33Å; L89-R92 VanDerWaalsContact O-N 3.08Å; A90-R92 VanDerWaalsContact C-N 3.31Å; A90-R92 PolarHBondContact O-N 2.76Å; R92-T94 PolarHBondContact O-N 2.88Å; R92-T94 VanDerWaalsContact O-N 3.13Å; R92-N389 PolarHBondContact O-OD1 2.85Å
93N88.3Confident91.4Very high126 Ų12645.4 Ų45.467%0.67425%0.253SS*.THydrogen-bonded Turntrans57.324.9179-52.5-37.5000115
94T90.2Very high91.6Very high26 Ų2649.3 Ų49.316%0.1627%0.274CS..SBendtrans-110.5158.8176.163.20000111.9A90 G91 R92 T98 T99 L102 Q388A90-T94 WeakPolarHBondContact O-CG2 3.45Å; G91-T94 PolarHBondContact O-N 3.3Å; G91-T94 PolarHBondContact O-OG1 2.9Å; R92-T94 PolarHBondContact O-N 2.88Å; R92-T94 VanDerWaalsContact O-N 3.13Å; T94-T98 HydrophobicContact CG2-CG2 4.17Å; T94-T99 PolarHBondContact OG1-OG1 3.48Å; T94-L102 HydrophobicContact CG2-CD1 4.16Å; T94-Q388 HydrophobicContact CG2-CB 4.43Å; T94-Q388 HydrophobicContact CG2-CG 3.84Å
95S92Very high91.8Very high69 Ų6952.1 Ų52.148%0.48329%0.287SS..  trans-63.1149.8171.980.30000110.7R97 T98 T99S95-R97 PolarHBondContact O-N 3.22Å; S95-R97 VanDerWaalsContact O-N 3.07Å; S95-T98 WeakPolarHBondContact O-CA 3.33Å; S95-T98 WeakPolarHBondContact O-CB 3.08Å; S95-T98 PolarHBondContact O-N 3.42Å; S95-T98 PolarHBondContact OG-N 3.23Å; S95-T98 PolarHBondContact OG-OG1 3.42Å; S95-T99 PolarHBondContact O-N 3.02Å; S95-T99 PolarHBondContact O-OG1 3.31Å
96A90.5Very high92.1Very high80 Ų8051.6 Ų51.666%0.66128%0.284SS*.Hα-helixtrans-53.6-34.7-17900000114S100A96-S100 WeakPolarHBondContact O-CB 3.35Å; A96-S100 PolarHBondContact O-N 3.02Å; A96-S100 PolarHBondContact O-OG 3.44Å
97R92.3Very high92.3Very high191 Ų19151.9 Ų51.972%0.72129%0.286SS*.Hα-helixtrans-66.6-46.9175.7-173.8177.6-177.5175.50.6111.3S95 S100 M101S95-R97 PolarHBondContact O-N 3.22Å; S95-R97 VanDerWaalsContact O-N 3.07Å; R97-S100 PolarHBondContact O-N 3.39Å; R97-M101 HydrophobicContact CG-CE 4.45Å; R97-M101 PolarHBondContact O-N 2.92Å; R97-M101 VanDerWaalsContact O-N 3.12Å
98T92.6Very high92.4Very high54 Ų5454.3 Ų54.333%0.33130%0.298SS..Hα-helixtrans-62.6-46175.7-500000110.9T94 S95 S100 M101 L102T94-T98 HydrophobicContact CG2-CG2 4.17Å; S95-T98 WeakPolarHBondContact O-CA 3.33Å; S95-T98 WeakPolarHBondContact O-CB 3.08Å; S95-T98 PolarHBondContact O-N 3.42Å; S95-T98 PolarHBondContact OG-N 3.23Å; S95-T98 PolarHBondContact OG-OG1 3.42Å; T98-S100 VanDerWaalsContact C-N 3.26Å; T98-S100 PolarHBondContact O-N 3.35Å; T98-M101 PolarHBondContact O-N 3.07Å; T98-M101 VanDerWaalsContact O-N 3.12Å; T98-L102 HydrophobicContact CG2-CD1 3.86Å; T98-L102 HydrophobicContact CG2-CG 4.25Å; T98-L102 VanDerWaalsContact O-CG 3.26Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.48Å
99T92.1Very high92.7Very high40 Ų4052.7 Ų52.725%0.24529%0.287CS..Hα-helixtrans-55.5-43.7175.9-45.10000111.1T94 S95 M101 L102 V103T94-T99 PolarHBondContact OG1-OG1 3.48Å; S95-T99 PolarHBondContact O-N 3.02Å; S95-T99 PolarHBondContact O-OG1 3.31Å; T99-M101 PolarHBondContact O-N 3.36Å; T99-L102 PolarHBondContact O-N 3.18Å; T99-V103 HydrophobicContact CG2-CG2 4.46Å; T99-V103 WeakPolarHBondContact O-CB 3.37Å; T99-V103 VanDerWaalsContact O-CG2 3.25Å; T99-V103 WeakPolarHBondContact O-CG2 3.36Å; T99-V103 PolarHBondContact O-N 3.26Å
100S92.4Very high92.9Very high69 Ų6952.2 Ų52.248%0.48328%0.284SS..Hα-helixtrans-62.9-41.9178.3-58.90000112.4A96 R97 T98 V103 I104A96-S100 WeakPolarHBondContact O-CB 3.35Å; A96-S100 PolarHBondContact O-N 3.02Å; A96-S100 PolarHBondContact O-OG 3.44Å; R97-S100 PolarHBondContact O-N 3.39Å; T98-S100 VanDerWaalsContact C-N 3.26Å; T98-S100 PolarHBondContact O-N 3.35Å; S100-V103 PolarHBondContact O-N 2.88Å; S100-I104 WeakPolarHBondContact O-CG1 3.47Å; S100-I104 PolarHBondContact O-N 3.03Å
101M95.1Very high93Very high98 Ų9852.3 Ų52.348%0.48329%0.285SS..Hα-helixtrans-64.5-45.5175.5-70.3175.4168.300111.9R97 T98 T99 V103 I104 M105R97-M101 HydrophobicContact CG-CE 4.45Å; R97-M101 PolarHBondContact O-N 2.92Å; R97-M101 VanDerWaalsContact O-N 3.12Å; T98-M101 PolarHBondContact O-N 3.07Å; T98-M101 VanDerWaalsContact O-N 3.12Å; T99-M101 PolarHBondContact O-N 3.36Å; M101-V103 VanDerWaalsContact C-N 3.31Å; M101-V103 PolarHBondContact O-N 3Å; M101-I104 PolarHBondContact O-N 2.93Å; M101-M105 WeakPolarHBondContact O-CG 3.4Å; M101-M105 PolarHBondContact O-N 3.07Å
102L95.3Very high93.2Very high8 Ų853.1 Ų53.14%0.04229%0.285CS..Hα-helixtrans-63.8-38.5178.6-64.5167.9000111.5M87 A90 T94 T98 T99 M105 G106 L381 T384M87-L102 WeakPolarHBondContact CG-O 3.43Å; A90-L102 HydrophobicContact CB-CD1 4.12Å; A90-L102 HydrophobicContact CB-CD2 4.37Å; A90-L102 VanDerWaalsContact O-CD1 3.27Å; A90-L102 WeakPolarHBondContact O-CD1 3.2Å; T94-L102 HydrophobicContact CG2-CD1 4.16Å; T98-L102 HydrophobicContact CG2-CD1 3.86Å; T98-L102 HydrophobicContact CG2-CG 4.25Å; T98-L102 VanDerWaalsContact O-CG 3.26Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.48Å; T99-L102 PolarHBondContact O-N 3.18Å; L102-M105 PolarHBondContact O-N 3.26Å; L102-G106 PolarHBondContact O-N 3.16Å; L102-L381 HydrophobicContact CB-CD2 4.14Å; L102-L381 HydrophobicContact CD2-CD2 3.78Å; L102-T384 HydrophobicContact CD1-CG2 3.87Å; L102-T384 HydrophobicContact CD2-CG2 4.05Å
103V93.4Very high93.4Very high32 Ų3249.5 Ų49.519%0.19427%0.271CS..Hα-helixtrans-60.6-47173.11650000110.9M87 T99 S100 M101 M105 G106 L107 Y320M87-V103 HydrophobicContact CG-CG2 4.43Å; M87-V103 HydrophobicContact SD-CB 4.31Å; M87-V103 HydrophobicContact SD-CG1 4.3Å; M87-V103 HydrophobicContact SD-CG2 4.35Å; M87-V103 VanDerWaalsContact SD-O 3.37Å; T99-V103 HydrophobicContact CG2-CG2 4.46Å; T99-V103 WeakPolarHBondContact O-CB 3.37Å; T99-V103 VanDerWaalsContact O-CG2 3.25Å; T99-V103 WeakPolarHBondContact O-CG2 3.36Å; T99-V103 PolarHBondContact O-N 3.26Å; S100-V103 PolarHBondContact O-N 2.88Å; M101-V103 VanDerWaalsContact C-N 3.31Å; M101-V103 PolarHBondContact O-N 3Å; V103-M105 VanDerWaalsContact C-N 3.33Å; V103-M105 PolarHBondContact O-N 3.3Å; V103-G106 PolarHBondContact O-N 3.22Å; V103-L107 HydrophobicContact CG1-CD1 3.92Å; V103-L107 HydrophobicContact CG1-CG 4.29Å; V103-L107 WeakPolarHBondContact O-CB 3.18Å; V103-L107 VanDerWaalsContact O-CG 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 3.45Å; V103-Y320 HydrophobicContact CG1-CE1 4.2Å; V103-Y320 WeakPolarHBondContact CG1-OH 3.42Å
104I95.1Very high93.6Very high87 Ų8744.5 Ų44.545%0.44624%0.243SC..Hα-helixtrans-60.4-45.6177.3-68.4165000110.5S100 M101 G106 L107 I108 F434S100-I104 WeakPolarHBondContact O-CG1 3.47Å; S100-I104 PolarHBondContact O-N 3.03Å; M101-I104 PolarHBondContact O-N 2.93Å; I104-G106 PolarHBondContact O-N 3.09Å; I104-L107 PolarHBondContact O-N 3.25Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 HydrophobicContact CG2-CG1 4.42Å; I104-I108 VanDerWaalsContact O-CG1 3.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.34Å; I104-I108 PolarHBondContact O-N 2.9Å; I104-F434 HydrophobicContact CG2-CZ 4.43Å
105M96.4Very high93.7Very high58 Ų5843.2 Ų43.229%0.28624%0.236SC..Hα-helixtrans-58.8-47.8176.5-72.7177.7-17700112.2M101 L102 V103 L107 I108 G109 L377 I380 L381M101-M105 WeakPolarHBondContact O-CG 3.4Å; M101-M105 PolarHBondContact O-N 3.07Å; L102-M105 PolarHBondContact O-N 3.26Å; V103-M105 VanDerWaalsContact C-N 3.33Å; V103-M105 PolarHBondContact O-N 3.3Å; M105-L107 VanDerWaalsContact C-N 3.35Å; M105-L107 PolarHBondContact O-N 2.93Å; M105-I108 PolarHBondContact O-N 3.3Å; M105-G109 PolarHBondContact O-N 3.19Å; M105-L377 HydrophobicContact CB-CD2 3.92Å; M105-L377 HydrophobicContact CG-CD2 3.97Å; M105-I380 HydrophobicContact SD-CG2 3.89Å; M105-L381 HydrophobicContact CB-CD2 4.3Å
106G94.8Very high93.5Very high0 Ų040.1 Ų40.10%021%0.213CC..Hα-helixtrans-63.8-37.7178.200000113.5L102 V103 I104 G110L102-G106 PolarHBondContact O-N 3.16Å; V103-G106 PolarHBondContact O-N 3.22Å; I104-G106 PolarHBondContact O-N 3.09Å; G106-G110 PolarHBondContact O-N 3.45Å
107L95.6Very high93.6Very high6 Ų636.3 Ų36.33%0.03118%0.182CC..Hα-helixtrans-67.9-39.3174.2-69.7177.4000112.1L84 M87 V103 I104 M105 S111 Y320 F434 M437 T438L84-L107 HydrophobicContact CD2-CD2 4.26Å; M87-L107 HydrophobicContact SD-CG 4.31Å; V103-L107 HydrophobicContact CG1-CD1 3.92Å; V103-L107 HydrophobicContact CG1-CG 4.29Å; V103-L107 WeakPolarHBondContact O-CB 3.18Å; V103-L107 VanDerWaalsContact O-CG 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 3.45Å; I104-L107 PolarHBondContact O-N 3.25Å; M105-L107 VanDerWaalsContact C-N 3.35Å; M105-L107 PolarHBondContact O-N 2.93Å; L107-S111 VanDerWaalsContact O-CB 3.26Å; L107-S111 WeakPolarHBondContact O-CB 3.5Å; L107-S111 PolarHBondContact O-N 3.05Å; L107-S111 PolarHBondContact O-OG 2.92Å; L107-Y320 HydrophobicContact CD1-CD1 3.97Å; L107-Y320 HydrophobicContact CD1-CE1 3.78Å; L107-Y320 HydrophobicContact CD2-CD1 3.71Å; L107-Y320 HydrophobicContact CD2-CD2 3.96Å; L107-Y320 HydrophobicContact CD2-CE1 4.02Å; L107-Y320 HydrophobicContact CD2-CE2 4.25Å; L107-Y320 HydrophobicContact CD2-CG 3.7Å; L107-Y320 HydrophobicContact CG-CD1 4.43Å; L107-Y320 HydrophobicContact CG-CE1 4.34Å; L107-F434 HydrophobicContact CB-CD2 4.02Å; L107-F434 HydrophobicContact CB-CE2 3.88Å; L107-M437 HydrophobicContact CD2-CB 4.44Å; L107-M437 HydrophobicContact CD2-SD 3.89Å; L107-T438 HydrophobicContact CD1-CG2 4.18Å
108I96.6Very high93.6Very high54 Ų5427.6 Ų27.628%0.27715%0.15SC..Hα-helixtrans-61.9-51174.6-68.7167000109.7I104 M105 G110 S111 F112 L377 F434I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 HydrophobicContact CG2-CG1 4.42Å; I104-I108 VanDerWaalsContact O-CG1 3.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.34Å; I104-I108 PolarHBondContact O-N 2.9Å; M105-I108 PolarHBondContact O-N 3.3Å; I108-G110 PolarHBondContact O-N 3.22Å; I108-S111 CarbonylContact O-C 3.49Å; I108-S111 WeakPolarHBondContact O-CA 3.43Å; I108-S111 WeakPolarHBondContact O-CB 3.36Å; I108-S111 PolarHBondContact O-N 3.44Å; I108-F112 HydrophobicContact CG2-CD1 4.45Å; I108-F112 HydrophobicContact CG2-CD2 4.3Å; I108-F112 HydrophobicContact CG2-CE1 4.08Å; I108-F112 HydrophobicContact CG2-CE2 3.92Å; I108-F112 HydrophobicContact CG2-CZ 3.8Å; I108-F112 PolarHBondContact O-N 2.88Å; I108-L377 HydrophobicContact CB-CD1 4.08Å; I108-L377 HydrophobicContact CG2-CD1 3.75Å; I108-F434 HydrophobicContact CG1-CD2 3.96Å; I108-F434 HydrophobicContact CG1-CE2 3.66Å; I108-F434 HydrophobicContact CG1-CZ 4.31Å
109G94.8Very high93.6Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-66.2-39.6-178.600000113M105 S111 F112 F113M105-G109 PolarHBondContact O-N 3.19Å; G109-S111 VanDerWaalsContact C-N 3.25Å; G109-S111 PolarHBondContact O-N 3.28Å; G109-F112 PolarHBondContact O-N 2.98Å; G109-F113 PolarHBondContact O-N 3.15Å
110G93.6Very high93.6Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-60.3-37.2170.400000112.1G106 I108 F113 Y114 L311G106-G110 PolarHBondContact O-N 3.45Å; I108-G110 PolarHBondContact O-N 3.22Å; G110-F113 WeakPolarHBondContact O-CB 3.27Å; G110-F113 PolarHBondContact O-N 2.88Å; G110-Y114 WeakPolarHBondContact O-CD2 3.32Å; G110-Y114 PolarHBondContact O-N 2.86Å; G110-L311 WeakPolarHBondContact O-CD2 3.42Å
111S95.3Very high93.6Very high1 Ų119.9 Ų19.91%0.00710%0.1CC..Hα-helixtrans-71.8-38177.8-56.90000112.9L107 I108 G109 F113 Y114 G115 G430 F434L107-S111 VanDerWaalsContact O-CB 3.26Å; L107-S111 WeakPolarHBondContact O-CB 3.5Å; L107-S111 PolarHBondContact O-N 3.05Å; L107-S111 PolarHBondContact O-OG 2.92Å; I108-S111 CarbonylContact O-C 3.49Å; I108-S111 WeakPolarHBondContact O-CA 3.43Å; I108-S111 WeakPolarHBondContact O-CB 3.36Å; I108-S111 PolarHBondContact O-N 3.44Å; G109-S111 VanDerWaalsContact C-N 3.25Å; G109-S111 PolarHBondContact O-N 3.28Å; S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 2.83Å; S111-Y114 WeakPolarHBondContact O-CB 3.44Å; S111-Y114 PolarHBondContact O-N 2.75Å; S111-G115 PolarHBondContact O-N 3.26Å; S111-G430 WeakPolarHBondContact CB-O 3.39Å; S111-G430 WeakPolarHBondContact O-CA 3.17Å; S111-F434 WeakPolarHBondContact OG-CA 3.32Å; S111-F434 WeakPolarHBondContact OG-CB 3.31Å; S111-F434 PolarHBondContact OG-N 2.8Å
112F94.1Very high93.6Very high31 Ų3115.2 Ų15.214%0.1368%0.077CC..Hα-helixtrans-60.4-39.4172-76.4-2.3000112I108 G109 Y114 G115 E116 A370 T374 L427I108-F112 HydrophobicContact CG2-CD1 4.45Å; I108-F112 HydrophobicContact CG2-CD2 4.3Å; I108-F112 HydrophobicContact CG2-CE1 4.08Å; I108-F112 HydrophobicContact CG2-CE2 3.92Å; I108-F112 HydrophobicContact CG2-CZ 3.8Å; I108-F112 PolarHBondContact O-N 2.88Å; G109-F112 PolarHBondContact O-N 2.98Å; F112-Y114 VanDerWaalsContact C-N 3.34Å; F112-Y114 PolarHBondContact O-N 2.64Å; F112-G115 WeakPolarHBondContact O-CA 3.4Å; F112-G115 PolarHBondContact O-N 2.88Å; F112-E116 PolarHBondContact O-N 2.66Å; F112-A370 HydrophobicContact CB-CB 3.96Å; F112-A370 HydrophobicContact CG-CB 4.24Å; F112-T374 VanDerWaalsContact CB-OG1 3.25Å; F112-T374 WeakPolarHBondContact CB-OG1 3.28Å; F112-L427 HydrophobicContact CD1-CD2 4.08Å; F112-L427 HydrophobicContact CE1-CD2 3.41Å; F112-L427 VanDerWaalsContact CE1-CD2 3.41Å; F112-L427 HydrophobicContact CE2-CD2 4.38Å; F112-L427 HydrophobicContact CZ-CD2 3.58Å
113F91.7Very high93.5Very high9 Ų914.9 Ų14.94%0.0398%0.075CC..Hα-helixtrans-59.2-41.6173.7-168.7-93.2000112.4G109 G110 S111 G115 E116 V117 E229 A230 V308 L311G109-F113 PolarHBondContact O-N 3.15Å; G110-F113 WeakPolarHBondContact O-CB 3.27Å; G110-F113 PolarHBondContact O-N 2.88Å; S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 2.83Å; F113-G115 PolarHBondContact O-N 3.27Å; F113-E116 PolarHBondContact O-N 2.95Å; F113-V117 HydrophobicContact CD1-CG2 3.78Å; F113-V117 HydrophobicContact CE1-CG2 3.55Å; F113-V117 HydrophobicContact CG-CG2 4.49Å; F113-V117 HydrophobicContact CZ-CG2 4.07Å; F113-V117 WeakPolarHBondContact O-CG2 3.39Å; F113-V117 PolarHBondContact O-N 3.46Å; F113-E229 HydrophobicContact CD2-CB 3.85Å; F113-E229 HydrophobicContact CE2-CB 3.76Å; F113-A230 HydrophobicContact CE2-CB 4.43Å; F113-A230 HydrophobicContact CZ-CB 4.29Å; F113-V308 HydrophobicContact CD1-CG2 4.36Å; F113-V308 HydrophobicContact CE1-CG2 4.32Å; F113-L311 HydrophobicContact CB-CD2 4.04Å; F113-L311 HydrophobicContact CD1-CD2 3.55Å; F113-L311 HydrophobicContact CE1-CD2 4.43Å; F113-L311 HydrophobicContact CG-CD2 4.15Å
114Y92.1Very high93.5Very high21 Ų2113.3 Ų13.38%0.0827%0.066CC..Hα-helixtrans-59.8-34.3172.8-79.6-81.9000113.1G110 S111 F112 V308 L311 T312 M433 M437G110-Y114 WeakPolarHBondContact O-CD2 3.32Å; G110-Y114 PolarHBondContact O-N 2.86Å; S111-Y114 WeakPolarHBondContact O-CB 3.44Å; S111-Y114 PolarHBondContact O-N 2.75Å; F112-Y114 VanDerWaalsContact C-N 3.34Å; F112-Y114 PolarHBondContact O-N 2.64Å; Y114-V308 HydrophobicContact CD1-CG2 3.8Å; Y114-V308 HydrophobicContact CE1-CG2 4.01Å; Y114-L311 HydrophobicContact CD2-CD2 3.69Å; Y114-L311 HydrophobicContact CE2-CD2 3.35Å; Y114-L311 HydrophobicContact CE2-CG 3.93Å; Y114-L311 HydrophobicContact CG-CD2 4.46Å; Y114-T312 WeakPolarHBondContact OH-CA 3.43Å; Y114-T312 PolarHBondContact OH-N 2.81Å; Y114-T312 PolarHBondContact OH-OG1 3.36Å; Y114-M433 HydrophobicContact CD1-CE 3.88Å; Y114-M433 HydrophobicContact CD1-CG 4.38Å; Y114-M433 HydrophobicContact CD2-CB 4.32Å; Y114-M433 HydrophobicContact CD2-CE 3.91Å; Y114-M433 HydrophobicContact CD2-CG 4.26Å; Y114-M433 HydrophobicContact CE1-CE 3.77Å; Y114-M433 HydrophobicContact CE2-CE 3.85Å; Y114-M433 HydrophobicContact CG-CB 4.41Å; Y114-M433 HydrophobicContact CG-CE 3.95Å; Y114-M433 HydrophobicContact CG-CG 3.9Å; Y114-M437 HydrophobicContact CD2-CE 3.73Å; Y114-M437 HydrophobicContact CE2-CE 3.25Å
115G90.9Very high93.5Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-70.3-43.4176.300000112.8S111 F112 F113 V117 V118S111-G115 PolarHBondContact O-N 3.26Å; F112-G115 WeakPolarHBondContact O-CA 3.4Å; F112-G115 PolarHBondContact O-N 2.88Å; F113-G115 PolarHBondContact O-N 3.27Å; G115-V117 VanDerWaalsContact C-N 3.35Å; G115-V117 PolarHBondContact O-N 3.36Å; G115-V118 PolarHBondContact O-N 2.97Å
116E89.8Confident93.4Very high3 Ų36.5 Ų6.51%0.0143%0.031CC..Hα-helixtrans-60.1-42.1176.7177.6-171.9173.200112.3F112 F113 V118 I119 T120 Y367 V371F112-E116 PolarHBondContact O-N 2.66Å; F113-E116 PolarHBondContact O-N 2.95Å; E116-V118 PolarHBondContact O-N 2.94Å; E116-V118 VanDerWaalsContact O-N 3.11Å; E116-I119 WeakPolarHBondContact O-CA 3.39Å; E116-I119 PolarHBondContact O-N 3.48Å; E116-T120 PolarHBondContact O-N 2.96Å; E116-T120 VanDerWaalsContact O-N 3.16Å; E116-Y367 HydrophobicContact CG-CE2 3.98Å; E116-Y367 WeakPolarHBondContact CG-OH 3.33Å; E116-Y367 PolarHBondContact OE1-OH 2.69Å; E116-V371 HydrophobicContact CB-CG2 4.3Å; E116-V371 VanDerWaalsContact CD-CG2 3.4Å; E116-V371 HydrophobicContact CG-CG2 3.68Å
117V91.1Very high93.4Very high0 Ų06.5 Ų6.50%03%0.031CC..Hα-helixtrans-61.8-22.9-175.7165.10000113.4F113 G115 P121 V304 V308 L346F113-V117 HydrophobicContact CD1-CG2 3.78Å; F113-V117 HydrophobicContact CE1-CG2 3.55Å; F113-V117 HydrophobicContact CG-CG2 4.49Å; F113-V117 HydrophobicContact CZ-CG2 4.07Å; F113-V117 WeakPolarHBondContact O-CG2 3.39Å; F113-V117 PolarHBondContact O-N 3.46Å; G115-V117 VanDerWaalsContact C-N 3.35Å; G115-V117 PolarHBondContact O-N 3.36Å; V117-P121 WeakPolarHBondContact O-CD 3.47Å; V117-P121 WeakPolarHBondContact O-CG 3.21Å; V117-V304 HydrophobicContact CB-CG1 3.58Å; V117-V304 HydrophobicContact CG1-CG1 3.6Å; V117-V304 HydrophobicContact CG2-CG1 3.27Å; V117-V308 HydrophobicContact CB-CG2 3.78Å; V117-V308 HydrophobicContact CG1-CB 3.9Å; V117-V308 HydrophobicContact CG1-CG1 4.49Å; V117-V308 HydrophobicContact CG1-CG2 3.57Å; V117-V308 HydrophobicContact CG2-CB 4.28Å; V117-V308 HydrophobicContact CG2-CG2 3.54Å; V117-L346 HydrophobicContact CG1-CD1 3.73Å; V117-L346 HydrophobicContact CG1-CD2 3.51Å; V117-L346 HydrophobicContact CG1-CG 4.28Å
118V93.6Very high93.3Very high8 Ų86.2 Ų6.25%0.0483%0.03CC..Hα-helixtrans-73.7-33.2172.4-178.90000111.4G115 E116 L346 A349 V350 V353 L429G115-V118 PolarHBondContact O-N 2.97Å; E116-V118 PolarHBondContact O-N 2.94Å; E116-V118 VanDerWaalsContact O-N 3.11Å; V118-L346 HydrophobicContact CB-CD1 4.37Å; V118-L346 HydrophobicContact CG2-CD1 3.72Å; V118-A349 HydrophobicContact CB-CB 4.49Å; V118-A349 HydrophobicContact CG1-CB 3.71Å; V118-A349 HydrophobicContact CG2-CB 3.88Å; V118-V350 HydrophobicContact CG1-CG2 4.25Å; V118-V350 WeakPolarHBondContact O-CG2 3.25Å; V118-V353 HydrophobicContact CG1-CB 4.5Å; V118-V353 HydrophobicContact CG1-CG2 3.65Å; V118-L429 HydrophobicContact CB-CD1 3.99Å; V118-L429 HydrophobicContact CG1-CD1 4.18Å; V118-L429 HydrophobicContact CG2-CD1 3.85Å
119I91.9Very high93.2Very high1 Ų13.9 Ų3.91%0.0052%0.018CC..Hα-helixtrans-83.1-40.4-173.4-47-61.2000111.6E116 A122 I123 V353 L363 Y367 L425 P426E116-I119 WeakPolarHBondContact O-CA 3.39Å; E116-I119 PolarHBondContact O-N 3.48Å; I119-A122 WeakPolarHBondContact O-CB 3.28Å; I119-A122 PolarHBondContact O-N 3.35Å; I119-A122 VanDerWaalsContact O-N 3.1Å; I119-I123 PolarHBondContact O-N 2.88Å; I119-V353 HydrophobicContact CD1-CG1 4.23Å; I119-V353 HydrophobicContact CD1-CG2 4.47Å; I119-L363 HydrophobicContact CD1-CD1 4.13Å; I119-L363 HydrophobicContact CG2-CD1 3.83Å; I119-L363 HydrophobicContact CG2-CD2 3.91Å; I119-L363 HydrophobicContact CG2-CG 3.65Å; I119-Y367 HydrophobicContact CB-CD2 3.81Å; I119-Y367 HydrophobicContact CB-CE2 4.24Å; I119-Y367 HydrophobicContact CG2-CD2 3.53Å; I119-Y367 HydrophobicContact CG2-CE2 4.36Å; I119-Y367 HydrophobicContact CG2-CG 4.41Å; I119-L425 HydrophobicContact CD1-CD2 3.64Å; I119-L425 HydrophobicContact CD1-CG 4.3Å; I119-P426 HydrophobicContact CG1-CB 4.4Å
120T91.3Very high93.1Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-56.6-50.1-175.1-55.50000113.5D23 E116 A122 I123 S124 V304D23-T120 WeakPolarHBondContact OD1-CG2 3.37Å; E116-T120 PolarHBondContact O-N 2.96Å; E116-T120 VanDerWaalsContact O-N 3.16Å; T120-A122 PolarHBondContact O-N 2.97Å; T120-I123 PolarHBondContact O-N 3.03Å; T120-S124 VanDerWaalsContact O-CB 3.3Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 3.47Å; T120-S124 PolarHBondContact O-OG 3.01Å; T120-V304 HydrophobicContact CG2-CG2 3.81Å
121P93.9Very high93Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-61.5-35.1178-23.134.9000113V117 V125 L151 S301 V350V117-P121 WeakPolarHBondContact O-CD 3.47Å; V117-P121 WeakPolarHBondContact O-CG 3.21Å; P121-V125 VanDerWaalsContact O-CB 3.29Å; P121-V125 WeakPolarHBondContact O-CB 3.17Å; P121-V125 VanDerWaalsContact O-CG2 3.3Å; P121-V125 WeakPolarHBondContact O-CG2 3.45Å; P121-V125 PolarHBondContact O-N 3.48Å; P121-L151 HydrophobicContact CB-CD2 3.75Å; P121-S301 WeakPolarHBondContact CA-OG 3.25Å; P121-S301 WeakPolarHBondContact CB-OG 3.42Å; P121-V350 HydrophobicContact CB-CG1 4.16Å; P121-V350 HydrophobicContact CB-CG2 4.29Å; P121-V350 HydrophobicContact CG-CG2 4.29Å
122A94.4Very high92.8Very high0 Ų05.5 Ų5.50%03%0.026CC..Hα-helixtrans-69.4-53.3178.700000111.6I119 T120 M126 V350 V353 I354 L363I119-A122 WeakPolarHBondContact O-CB 3.28Å; I119-A122 PolarHBondContact O-N 3.35Å; I119-A122 VanDerWaalsContact O-N 3.1Å; T120-A122 PolarHBondContact O-N 2.97Å; A122-M126 VanDerWaalsContact O-CB 3.25Å; A122-M126 WeakPolarHBondContact O-CB 3.24Å; A122-M126 WeakPolarHBondContact O-CE 3.47Å; A122-M126 WeakPolarHBondContact O-CG 3.39Å; A122-M126 PolarHBondContact O-N 2.88Å; A122-V350 HydrophobicContact CB-CG1 4.27Å; A122-V353 HydrophobicContact CB-CG1 4.02Å; A122-I354 HydrophobicContact CB-CD1 4.14Å; A122-I354 HydrophobicContact CB-CG1 3.6Å; A122-L363 HydrophobicContact CB-CD2 3.47Å; A122-L363 VanDerWaalsContact CB-CD2 3.47Å
123I92.9Very high92.6Very high1 Ų18 Ų81%0.0054%0.038CC..Hα-helixtrans-66.1-46.8-176.7-163.1173.2000111.1Y30 I119 T120 M126 S127 L223 L363 A364Y30-I123 HydrophobicContact CD1-CG1 4.39Å; Y30-I123 HydrophobicContact CD2-CD1 4.32Å; Y30-I123 HydrophobicContact CE1-CG2 4.39Å; Y30-I123 HydrophobicContact CE2-CD1 4.39Å; Y30-I123 HydrophobicContact CG-CD1 4.47Å; I119-I123 PolarHBondContact O-N 2.88Å; T120-I123 PolarHBondContact O-N 3.03Å; I123-M126 PolarHBondContact O-N 3.45Å; I123-S127 WeakPolarHBondContact O-CB 3.27Å; I123-S127 PolarHBondContact O-N 3.25Å; I123-S127 PolarHBondContact O-OG 3Å; I123-L223 HydrophobicContact CD1-CD2 4.47Å; I123-L363 HydrophobicContact CB-CD2 3.73Å; I123-L363 HydrophobicContact CB-CG 4.29Å; I123-L363 HydrophobicContact CG1-CD2 4.46Å; I123-L363 VanDerWaalsContact N-CD2 3.34Å; I123-A364 HydrophobicContact CD1-CB 4.01Å
124S93.2Very high92.4Very high0 Ų09.8 Ų9.80%05%0.048CC..Hα-helixtrans-62.6-51.4-177.8-63.60000111.4T26 T120 S127 A128 T297T26-S124 PolarHBondContact OG1-OG 3.21Å; T120-S124 VanDerWaalsContact O-CB 3.3Å; T120-S124 WeakPolarHBondContact O-CB 3.27Å; T120-S124 PolarHBondContact O-N 3.47Å; T120-S124 PolarHBondContact O-OG 3.01Å; S124-S127 PolarHBondContact O-N 2.76Å; S124-A128 PolarHBondContact O-N 3.24Å; S124-A128 VanDerWaalsContact O-N 3.08Å; S124-T297 WeakPolarHBondContact O-CG2 3.29Å
125V95.4Very high92.2Very high1 Ų111.6 Ų11.61%0.0066%0.061CC..Hα-helixtrans-67.1-41.8-178.2176.40000111.1P121 S127 A128 I129 V150 L151P121-V125 VanDerWaalsContact O-CB 3.29Å; P121-V125 WeakPolarHBondContact O-CB 3.17Å; P121-V125 VanDerWaalsContact O-CG2 3.3Å; P121-V125 WeakPolarHBondContact O-CG2 3.45Å; P121-V125 PolarHBondContact O-N 3.48Å; V125-S127 PolarHBondContact O-N 3.32Å; V125-A128 PolarHBondContact O-N 3.39Å; V125-I129 HydrophobicContact CG1-CG1 4.24Å; V125-I129 VanDerWaalsContact O-CG1 3.28Å; V125-I129 WeakPolarHBondContact O-CG1 3.49Å; V125-I129 PolarHBondContact O-N 2.88Å; V125-V150 HydrophobicContact CG1-CB 4.06Å; V125-V150 HydrophobicContact CG1-CG1 3.88Å; V125-V150 HydrophobicContact CG2-CG1 4.44Å; V125-L151 HydrophobicContact CB-CD1 4.3Å; V125-L151 HydrophobicContact CB-CG 4.33Å; V125-L151 HydrophobicContact CG1-CD1 4.46Å; V125-L151 HydrophobicContact CG1-CG 4.31Å; V125-L151 HydrophobicContact CG2-CD1 4.45Å; V125-L151 HydrophobicContact CG2-CD2 3.8Å; V125-L151 HydrophobicContact CG2-CG 4.07Å
126M94.3Very high92.1Very high0 Ų013.2 Ų13.20%07%0.074CC..Hα-helixtrans-60.5-45.8175.3-71.7-170.8-5200111.4A122 I123 A128 I129 E130 I354 L363A122-M126 VanDerWaalsContact O-CB 3.25Å; A122-M126 WeakPolarHBondContact O-CB 3.24Å; A122-M126 WeakPolarHBondContact O-CE 3.47Å; A122-M126 WeakPolarHBondContact O-CG 3.39Å; A122-M126 PolarHBondContact O-N 2.88Å; I123-M126 PolarHBondContact O-N 3.45Å; M126-A128 VanDerWaalsContact C-N 3.31Å; M126-A128 PolarHBondContact O-N 3.29Å; M126-I129 PolarHBondContact O-N 3.42Å; M126-I129 VanDerWaalsContact O-N 3.1Å; M126-E130 WeakPolarHBondContact O-CG 3.49Å; M126-E130 PolarHBondContact O-N 3.44Å; M126-I354 HydrophobicContact CG-CG1 4.38Å; M126-I354 HydrophobicContact CG-CG2 4.48Å; M126-I354 HydrophobicContact SD-CB 4.27Å; M126-I354 HydrophobicContact SD-CG1 4.04Å; M126-I354 HydrophobicContact SD-CG2 3.94Å; M126-L363 HydrophobicContact CE-CB 4.05Å; M126-L363 HydrophobicContact CE-CD2 3.43Å; M126-L363 VanDerWaalsContact CE-CD2 3.43Å; M126-L363 HydrophobicContact CE-CG 4.37Å
127S93.9Very high92Very high1 Ų117.5 Ų17.51%0.00710%0.102CC..Hα-helixtrans-64.3-30.7179.3-60.20000113.9I123 S124 V125 S360I123-S127 WeakPolarHBondContact O-CB 3.27Å; I123-S127 PolarHBondContact O-N 3.25Å; I123-S127 PolarHBondContact O-OG 3Å; S124-S127 PolarHBondContact O-N 2.76Å; V125-S127 PolarHBondContact O-N 3.32Å; S127-S360 WeakPolarHBondContact OG-CB 3.15Å; S127-S360 PolarHBondContact OG-OG 3.26Å; S127-S360 VanDerWaalsContact OG-OG 3.1Å
128A94.9Very high91.9Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-71.2-41.2171.300000112.2L29 S124 V125 M126 G131 A293 T297L29-A128 HydrophobicContact CD1-CB 4.2Å; S124-A128 PolarHBondContact O-N 3.24Å; S124-A128 VanDerWaalsContact O-N 3.08Å; V125-A128 PolarHBondContact O-N 3.39Å; M126-A128 VanDerWaalsContact C-N 3.31Å; M126-A128 PolarHBondContact O-N 3.29Å; A128-G131 PolarHBondContact O-N 3.45Å; A128-A293 HydrophobicContact CB-CB 3.98Å; A128-T297 HydrophobicContact CB-CG2 3.72Å
129I94.8Very high91.8Very high4 Ų428.8 Ų28.82%0.02116%0.156CC..Hα-helixtrans-71.7-30.4-179.3-64.6-49.2000112.1V125 M126 G131 L132 I143 L146 A294V125-I129 HydrophobicContact CG1-CG1 4.24Å; V125-I129 VanDerWaalsContact O-CG1 3.28Å; V125-I129 WeakPolarHBondContact O-CG1 3.49Å; V125-I129 PolarHBondContact O-N 2.88Å; M126-I129 PolarHBondContact O-N 3.42Å; M126-I129 VanDerWaalsContact O-N 3.1Å; I129-G131 PolarHBondContact O-N 3.13Å; I129-L132 HydrophobicContact CG2-CD1 4.04Å; I129-L132 VanDerWaalsContact O-CB 3.24Å; I129-L132 WeakPolarHBondContact O-CB 3.4Å; I129-L132 WeakPolarHBondContact O-CG 3.42Å; I129-L132 PolarHBondContact O-N 3.41Å; I129-I143 HydrophobicContact CB-CG2 4.38Å; I129-I143 HydrophobicContact CG2-CB 4.13Å; I129-I143 HydrophobicContact CG2-CG1 4.21Å; I129-I143 HydrophobicContact CG2-CG2 3.95Å; I129-L146 HydrophobicContact CD1-CD2 3.79Å; I129-L146 HydrophobicContact CD1-CG 4.03Å; I129-L146 HydrophobicContact CG1-CD2 4.48Å; I129-L146 HydrophobicContact CG1-CG 4.46Å; I129-L146 HydrophobicContact CG2-CB 4.14Å; I129-L146 HydrophobicContact CG2-CD2 3.98Å; I129-L146 HydrophobicContact CG2-CG 4.35Å; I129-A294 HydrophobicContact CD1-CB 4.5Å
130E92.6Very high91.5Very high6 Ų631.4 Ų31.43%0.02817%0.17CC..THydrogen-bonded Turntrans-56.8-18.5170.1-78.7171.1-171.200113.1R33 M126 L132 E133 I143 S360R33-E130 IonicContact CZ-OE2 2.65Å; R33-E130 VanDerWaalsContact CZ-OE2 3.24Å; R33-E130 IonicContact NH1-OE2 3.59Å; R33-E130 PolarHBondContact NH1-OE2 3.27Å; R33-E130 IonicContact NH2-OE2 2.7Å; R33-E130 PolarHBondContact NH2-OE2 3.28Å; M126-E130 WeakPolarHBondContact O-CG 3.49Å; M126-E130 PolarHBondContact O-N 3.44Å; E130-L132 PolarHBondContact O-N 3.11Å; E130-L132 VanDerWaalsContact O-N 3.15Å; E130-E133 WeakPolarHBondContact O-CB 3.38Å; E130-E133 PolarHBondContact O-N 3.32Å; E130-E133 VanDerWaalsContact O-N 3.07Å; E130-I143 HydrophobicContact CG-CD1 4.04Å; E130-I143 HydrophobicContact CG-CG2 4.25Å; E130-S360 WeakPolarHBondContact OE1-CB 3.45Å; E130-S360 PolarHBondContact OE1-N 3.29Å; E130-S360 PolarHBondContact OE1-OG 3.35Å; E130-S360 PolarHBondContact OE2-OG 3.04Å
131G90.4Very high91.5Very high0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-56.7-24.6167.800000113.6A128 I129 E133 I134 V135 L290A128-G131 PolarHBondContact O-N 3.45Å; I129-G131 PolarHBondContact O-N 3.13Å; G131-E133 VanDerWaalsContact C-N 3.29Å; G131-E133 PolarHBondContact O-N 3.08Å; G131-I134 PolarHBondContact O-N 2.92Å; G131-V135 PolarHBondContact O-N 2.85Å; G131-L290 VanDerWaalsContact C-CD1 3.46Å
132L91Very high91.5Very high30 Ų3043.7 Ų43.716%0.15723%0.228CC..Hα-helixtrans-63.9-34.4175.5-73.4178.7000112.2I129 E130 I134 V135 A136 L139 L146 L290I129-L132 HydrophobicContact CG2-CD1 4.04Å; I129-L132 VanDerWaalsContact O-CB 3.24Å; I129-L132 WeakPolarHBondContact O-CB 3.4Å; I129-L132 WeakPolarHBondContact O-CG 3.42Å; I129-L132 PolarHBondContact O-N 3.41Å; E130-L132 PolarHBondContact O-N 3.11Å; E130-L132 VanDerWaalsContact O-N 3.15Å; L132-I134 PolarHBondContact O-N 3.26Å; L132-V135 PolarHBondContact O-N 2.83Å; L132-V135 VanDerWaalsContact O-N 3.17Å; L132-A136 CarbonylContact O-C 3.52Å; L132-A136 PolarHBondContact O-N 3.16Å; L132-L139 HydrophobicContact CB-CB 4.38Å; L132-L139 HydrophobicContact CD2-CD1 4.37Å; L132-L146 HydrophobicContact CD1-CD2 3.54Å; L132-L290 HydrophobicContact CB-CD1 4.38Å; L132-L290 HydrophobicContact CD2-CD1 3.56Å; L132-L290 HydrophobicContact CD2-CD2 4.31Å; L132-L290 HydrophobicContact CG-CD1 3.8Å
133E90Very high91.4Very high84 Ų8443.8 Ų43.839%0.39323%0.229SC..Hα-helixtrans-61.9-34.8178.5-166.5-165.7160.700110.9E130 G131 A136 P137E130-E133 WeakPolarHBondContact O-CB 3.38Å; E130-E133 PolarHBondContact O-N 3.32Å; E130-E133 VanDerWaalsContact O-N 3.07Å; G131-E133 VanDerWaalsContact C-N 3.29Å; G131-E133 PolarHBondContact O-N 3.08Å; E133-A136 CarbonylContact O-C 3.58Å; E133-P137 VanDerWaalsContact O-CA 3.3Å; E133-P137 WeakPolarHBondContact O-CA 3.38Å; E133-P137 WeakPolarHBondContact O-CD 3.39Å; E133-P137 WeakPolarHBondContact O-CG 3.39Å; E133-P137 VanDerWaalsContact O-N 3.15Å
134I88.1Confident91.5Very high46 Ų4645.3 Ų45.324%0.23624%0.239CC..Hα-helixtrans-71.5-37.1177.2-55.4-58.5000111.7G131 L132 N275 F278 L279 L286G131-I134 PolarHBondContact O-N 2.92Å; L132-I134 PolarHBondContact O-N 3.26Å; I134-N275 HydrophobicContact CD1-CB 3.57Å; I134-N275 HydrophobicContact CG1-CB 3.77Å; I134-F278 HydrophobicContact CG1-CB 4.37Å; I134-L279 HydrophobicContact CG2-CD2 3.98Å; I134-L286 HydrophobicContact CG2-CD1 4.48Å
135V87.6Confident91.7Very high59 Ų5947.8 Ų47.836%0.35826%0.255SS..Hα-helixtrans-75.8-42.8178.81780000111.2G131 L132 L286 I287G131-V135 PolarHBondContact O-N 2.85Å; L132-V135 PolarHBondContact O-N 2.83Å; L132-V135 VanDerWaalsContact O-N 3.17Å; V135-L286 HydrophobicContact CG2-CB 4.07Å; V135-I287 HydrophobicContact CG1-CD1 4.42Å; V135-I287 HydrophobicContact CG1-CG1 4.14Å; V135-I287 HydrophobicContact CG2-CG1 4.38Å
136A89.4Confident91.7Very high33 Ų3350.4 Ų50.427%0.27327%0.268SS..  trans-151.798.5-178.600000109.9L132 E133 Q138 L139L132-A136 CarbonylContact O-C 3.52Å; L132-A136 PolarHBondContact O-N 3.16Å; E133-A136 CarbonylContact O-C 3.58Å; A136-Q138 PolarHBondContact O-N 2.87Å; A136-L139 HydrophobicContact CB-CD1 3.92Å; A136-L139 HydrophobicContact CB-CG 4.01Å; A136-L139 WeakPolarHBondContact O-CB 3.38Å; A136-L139 PolarHBondContact O-N 3.05Å
137P87.8Confident91.7Very high94 Ų9450.4 Ų50.461%0.6127%0.268SS*.G310 helixtrans-56.1-23.2-176.5-28.634.4000115E133 L139 D140E133-P137 VanDerWaalsContact O-CA 3.3Å; E133-P137 WeakPolarHBondContact O-CA 3.38Å; E133-P137 WeakPolarHBondContact O-CD 3.39Å; E133-P137 WeakPolarHBondContact O-CG 3.39Å; E133-P137 VanDerWaalsContact O-N 3.15Å; P137-L139 PolarHBondContact O-N 3.46Å; P137-D140 PolarHBondContact O-N 3.47Å
138Q89.5Confident91.9Very high181 Ų18152.2 Ų52.285%0.84628%0.277SS*.G310 helixtrans-67.7-16.8177.3-59.6168.423.400113.1A136 D140A136-Q138 PolarHBondContact O-N 2.87Å; Q138-D140 VanDerWaalsContact C-N 3.33Å
139L89.8Confident92Very high63 Ų6356.5 Ų56.533%0.3330%0.299SS..G310 helixtrans-885.2-179.7-62.1-178.1000113.8L132 A136 P137 T141 W142L132-L139 HydrophobicContact CB-CB 4.38Å; L132-L139 HydrophobicContact CD2-CD1 4.37Å; A136-L139 HydrophobicContact CB-CD1 3.92Å; A136-L139 HydrophobicContact CB-CG 4.01Å; A136-L139 WeakPolarHBondContact O-CB 3.38Å; A136-L139 PolarHBondContact O-N 3.05Å; P137-L139 PolarHBondContact O-N 3.46Å; L139-T141 VanDerWaalsContact C-N 3.26Å; L139-T141 PolarHBondContact O-N 3.06Å; L139-W142 WeakPolarHBondContact O-CA 3.49Å; L139-W142 WeakPolarHBondContact O-CB 3.34Å; L139-W142 PolarHBondContact O-N 3.17Å
140D87.2Confident92Very high57 Ų5757.7 Ų57.731%0.30531%0.307SS..G310 helixtrans-51.9-44.2176.2177.462.7000112.4P137 Q138 W142 I143 H359P137-D140 PolarHBondContact O-N 3.47Å; Q138-D140 VanDerWaalsContact C-N 3.33Å; D140-W142 PolarHBondContact O-N 3.5Å; D140-I143 HydrophobicContact CB-CD1 4.5Å; D140-I143 WeakPolarHBondContact O-CB 3.29Å; D140-I143 WeakPolarHBondContact O-CD1 3.46Å; D140-I143 VanDerWaalsContact O-CG1 3.27Å; D140-I143 WeakPolarHBondContact O-CG1 3.41Å; D140-I143 PolarHBondContact O-N 3.22Å; D140-I143 WeakPolarHBondContact OD1-CD1 3.42Å; D140-H359 IonicContact OD1-CE1 2.78Å
141T91.1Very high92.1Very high107 Ų10757.4 Ų57.466%0.65631%0.305SS*.G310 helixtrans-61.3-16.9176.257.30000114.8L139 P145L139-T141 VanDerWaalsContact C-N 3.26Å; L139-T141 PolarHBondContact O-N 3.06Å; T141-P145 WeakPolarHBondContact O-CD 3.2Å
142W93.3Very high92.4Very high150 Ų15059 Ų5957%0.56832%0.315SS*.G310 helixtrans-92.3-5.7178.6-71.688.4000113.6L139 D140 P145 L146L139-W142 WeakPolarHBondContact O-CA 3.49Å; L139-W142 WeakPolarHBondContact O-CB 3.34Å; L139-W142 PolarHBondContact O-N 3.17Å; D140-W142 PolarHBondContact O-N 3.5Å; W142-P145 HydrophobicContact CE3-CB 4.43Å; W142-P145 WeakPolarHBondContact O-CD 3.34Å; W142-L146 WeakPolarHBondContact O-CB 3.47Å; W142-L146 PolarHBondContact O-N 3.22Å
143I92.7Very high92.5Very high2 Ų262.3 Ų62.31%0.0133%0.332CS..Hα-helixtrans-59.8-55.5-178-65.1164.9000110.7I129 E130 D140 L146 S147I129-I143 HydrophobicContact CB-CG2 4.38Å; I129-I143 HydrophobicContact CG2-CB 4.13Å; I129-I143 HydrophobicContact CG2-CG1 4.21Å; I129-I143 HydrophobicContact CG2-CG2 3.95Å; E130-I143 HydrophobicContact CG-CD1 4.04Å; E130-I143 HydrophobicContact CG-CG2 4.25Å; D140-I143 HydrophobicContact CB-CD1 4.5Å; D140-I143 WeakPolarHBondContact O-CB 3.29Å; D140-I143 WeakPolarHBondContact O-CD1 3.46Å; D140-I143 VanDerWaalsContact O-CG1 3.27Å; D140-I143 WeakPolarHBondContact O-CG1 3.41Å; D140-I143 PolarHBondContact O-N 3.22Å; D140-I143 WeakPolarHBondContact OD1-CD1 3.42Å; I143-L146 PolarHBondContact O-N 2.82Å; I143-S147 WeakPolarHBondContact O-CB 3.32Å; I143-S147 PolarHBondContact O-N 3.16Å; I143-S147 PolarHBondContact O-OG 2.8Å
144V94.8Very high92.6Very high34 Ų3458.8 Ų58.821%0.20632%0.316CS..Hα-helixtrans-59.8-52.7179.8167.50000112.5L146 S147 I148 I354 E358V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 3.02Å; V144-S147 PolarHBondContact O-N 3.41Å; V144-I148 HydrophobicContact CG1-CD1 3.98Å; V144-I148 WeakPolarHBondContact O-CG1 3.14Å; V144-I148 PolarHBondContact O-N 3.44Å; V144-I354 HydrophobicContact CG1-CG2 4.05Å; V144-I354 HydrophobicContact CG2-CG2 4.46Å; V144-E358 HydrophobicContact CG2-CB 4.32Å; V144-E358 WeakPolarHBondContact CG2-O 3.33Å
145P96.3Very high92.9Very high52 Ų5256.7 Ų56.734%0.33831%0.305SS..Hα-helixtrans-56.3-43.6176.7-27.434000113.8T141 W142 I148 I149T141-P145 WeakPolarHBondContact O-CD 3.2Å; W142-P145 HydrophobicContact CE3-CB 4.43Å; W142-P145 WeakPolarHBondContact O-CD 3.34Å; P145-I148 PolarHBondContact O-N 3.14Å; P145-I149 VanDerWaalsContact O-CG1 3.29Å; P145-I149 WeakPolarHBondContact O-CG1 3.34Å; P145-I149 PolarHBondContact O-N 2.92Å
146L95.3Very high93.1Very high56 Ų5658.8 Ų58.829%0.29331%0.313SS..Hα-helixtrans-71.1-39.7-177.2-172.862.4000111.8I129 L132 W142 I143 V144 I148 I149 V150I129-L146 HydrophobicContact CD1-CD2 3.79Å; I129-L146 HydrophobicContact CD1-CG 4.03Å; I129-L146 HydrophobicContact CG1-CD2 4.48Å; I129-L146 HydrophobicContact CG1-CG 4.46Å; I129-L146 HydrophobicContact CG2-CB 4.14Å; I129-L146 HydrophobicContact CG2-CD2 3.98Å; I129-L146 HydrophobicContact CG2-CG 4.35Å; L132-L146 HydrophobicContact CD1-CD2 3.54Å; W142-L146 WeakPolarHBondContact O-CB 3.47Å; W142-L146 PolarHBondContact O-N 3.22Å; I143-L146 PolarHBondContact O-N 2.82Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 3.02Å; L146-I148 VanDerWaalsContact C-N 3.32Å; L146-I148 PolarHBondContact O-N 3.04Å; L146-I149 PolarHBondContact O-N 3.23Å; L146-V150 WeakPolarHBondContact O-CG2 3.22Å; L146-V150 PolarHBondContact O-N 3.35Å
147S95.9Very high93Very high0 Ų060.8 Ų60.80%032%0.318CS..Hα-helixtrans-59.6-42.2173.2-63.80000111.8I143 V144 V150 L151I143-S147 WeakPolarHBondContact O-CB 3.32Å; I143-S147 PolarHBondContact O-N 3.16Å; I143-S147 PolarHBondContact O-OG 2.8Å; V144-S147 PolarHBondContact O-N 3.41Å; S147-V150 PolarHBondContact O-N 2.94Å; S147-L151 WeakPolarHBondContact O-CB 3.45Å; S147-L151 WeakPolarHBondContact O-CG 3.49Å; S147-L151 PolarHBondContact O-N 2.9Å
148I96.9Very high93Very high38 Ų3856.7 Ų56.720%0.19529%0.291CS..Hα-helixtrans-63-43.4175-67.5169.4000110.8V144 P145 L146 L151 T152 V351 I354 V355V144-I148 HydrophobicContact CG1-CD1 3.98Å; V144-I148 WeakPolarHBondContact O-CG1 3.14Å; V144-I148 PolarHBondContact O-N 3.44Å; P145-I148 PolarHBondContact O-N 3.14Å; L146-I148 VanDerWaalsContact C-N 3.32Å; L146-I148 PolarHBondContact O-N 3.04Å; I148-L151 PolarHBondContact O-N 2.95Å; I148-T152 VanDerWaalsContact O-CB 3.27Å; I148-T152 WeakPolarHBondContact O-CB 3.28Å; I148-T152 PolarHBondContact O-N 2.91Å; I148-T152 PolarHBondContact O-OG1 3.04Å; I148-V351 HydrophobicContact CD1-CG1 4.47Å; I148-I354 HydrophobicContact CD1-CG2 4.43Å; I148-I354 HydrophobicContact CG1-CG2 4.05Å; I148-V355 HydrophobicContact CD1-CG2 3.84Å
149I96.8Very high92.6Very high91 Ų9154.1 Ų54.147%0.46728%0.277SS..Hα-helixtrans-59.7-49.6177.4-70.6164.5000110.8P145 L146 L151 T152 L153P145-I149 VanDerWaalsContact O-CG1 3.29Å; P145-I149 WeakPolarHBondContact O-CG1 3.34Å; P145-I149 PolarHBondContact O-N 2.92Å; L146-I149 PolarHBondContact O-N 3.23Å; I149-L151 VanDerWaalsContact C-N 3.34Å; I149-L151 PolarHBondContact O-N 3.44Å; I149-T152 PolarHBondContact O-N 3.29Å; I149-L153 HydrophobicContact CG2-CD1 4.21Å; I149-L153 WeakPolarHBondContact O-CG 3.49Å; I149-L153 PolarHBondContact O-N 2.98Å
150V95.2Very high91.9Very high28 Ų2856.6 Ų56.617%0.1729%0.287CS..Hα-helixtrans-57.6-47.6179.7169.90000111V125 L146 S147 L153 L154 V298V125-V150 HydrophobicContact CG1-CB 4.06Å; V125-V150 HydrophobicContact CG1-CG1 3.88Å; V125-V150 HydrophobicContact CG2-CG1 4.44Å; L146-V150 WeakPolarHBondContact O-CG2 3.22Å; L146-V150 PolarHBondContact O-N 3.35Å; S147-V150 PolarHBondContact O-N 2.94Å; V150-L153 PolarHBondContact O-N 3.49Å; V150-L154 PolarHBondContact O-N 3.44Å; V150-L154 VanDerWaalsContact O-N 3.1Å; V150-V298 HydrophobicContact CG1-CG2 3.37Å
151L95.1Very high91Very high0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-71-36.7179.8-71.6165.2000112.4P121 V125 S147 I148 I149 L153 L154 F155 V350 I354P121-L151 HydrophobicContact CB-CD2 3.75Å; V125-L151 HydrophobicContact CB-CD1 4.3Å; V125-L151 HydrophobicContact CB-CG 4.33Å; V125-L151 HydrophobicContact CG1-CD1 4.46Å; V125-L151 HydrophobicContact CG1-CG 4.31Å; V125-L151 HydrophobicContact CG2-CD1 4.45Å; V125-L151 HydrophobicContact CG2-CD2 3.8Å; V125-L151 HydrophobicContact CG2-CG 4.07Å; S147-L151 WeakPolarHBondContact O-CB 3.45Å; S147-L151 WeakPolarHBondContact O-CG 3.49Å; S147-L151 PolarHBondContact O-N 2.9Å; I148-L151 PolarHBondContact O-N 2.95Å; I149-L151 VanDerWaalsContact C-N 3.34Å; I149-L151 PolarHBondContact O-N 3.44Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 3.47Å; L151-L154 HydrophobicContact CD2-CD2 4.25Å; L151-L154 WeakPolarHBondContact O-CB 3.18Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-L154 VanDerWaalsContact O-N 3.12Å; L151-F155 HydrophobicContact CB-CD2 4.43Å; L151-F155 HydrophobicContact CD2-CE2 4.37Å; L151-F155 VanDerWaalsContact O-CD2 3.24Å; L151-F155 WeakPolarHBondContact O-CD2 3.32Å; L151-F155 PolarHBondContact O-N 2.65Å; L151-V350 HydrophobicContact CD1-CG1 3.68Å; L151-I354 HydrophobicContact CD1-CD1 3.2Å
152T96.1Very high89.5Confident35 Ų3550.4 Ų50.422%0.21525%0.251CS..Hα-helixtrans-57.6-48.9175-58.10000110.7I148 I149 L154 F155 M156 Y347I148-T152 VanDerWaalsContact O-CB 3.27Å; I148-T152 WeakPolarHBondContact O-CB 3.28Å; I148-T152 PolarHBondContact O-N 2.91Å; I148-T152 PolarHBondContact O-OG1 3.04Å; I149-T152 PolarHBondContact O-N 3.29Å; T152-L154 VanDerWaalsContact C-N 3.27Å; T152-L154 PolarHBondContact O-N 3.26Å; T152-F155 PolarHBondContact O-N 2.75Å; T152-M156 HydrophobicContact CG2-CG 4.45Å; T152-M156 HydrophobicContact CG2-SD 4Å; T152-M156 WeakPolarHBondContact O-CB 3.39Å; T152-M156 VanDerWaalsContact O-CG 3.24Å; T152-M156 WeakPolarHBondContact O-CG 3.29Å; T152-M156 PolarHBondContact O-N 2.96Å; T152-Y347 PolarHBondContact OG1-OH 3.05Å
153L93.7Very high87.8Confident98 Ų9845.3 Ų45.351%0.51324%0.241SC..Hα-helixtrans-58.8-42.5176.1-67.8173.7000111.2I149 V150 L151 M156 I157I149-L153 HydrophobicContact CG2-CD1 4.21Å; I149-L153 WeakPolarHBondContact O-CG 3.49Å; I149-L153 PolarHBondContact O-N 2.98Å; V150-L153 PolarHBondContact O-N 3.49Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 3.47Å; L153-M156 PolarHBondContact O-N 2.69Å; L153-I157 VanDerWaalsContact O-CG1 3.28Å; L153-I157 WeakPolarHBondContact O-CG1 3.49Å; L153-I157 PolarHBondContact O-N 2.83Å; L153-I157 VanDerWaalsContact O-N 3.12Å
154L92.3Very high86.1Confident11 Ų1152.1 Ų52.16%0.05828%0.275CS..Hα-helixtrans-60.6-52.1178.1-172.859.5000112.9V150 L151 T152 M156 I157 Q158 V298 Q302 I305V150-L154 PolarHBondContact O-N 3.44Å; V150-L154 VanDerWaalsContact O-N 3.1Å; L151-L154 HydrophobicContact CD2-CD2 4.25Å; L151-L154 WeakPolarHBondContact O-CB 3.18Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-L154 VanDerWaalsContact O-N 3.12Å; T152-L154 VanDerWaalsContact C-N 3.27Å; T152-L154 PolarHBondContact O-N 3.26Å; L154-M156 VanDerWaalsContact C-N 3.29Å; L154-M156 PolarHBondContact O-N 3.08Å; L154-I157 PolarHBondContact O-N 2.93Å; L154-Q158 WeakPolarHBondContact O-CG 3.2Å; L154-Q158 PolarHBondContact O-N 2.98Å; L154-Q158 PolarHBondContact O-NE2 3.4Å; L154-V298 HydrophobicContact CD1-CG1 3.49Å; L154-V298 VanDerWaalsContact CD1-CG1 3.49Å; L154-V298 HydrophobicContact CD2-CG1 4.26Å; L154-V298 HydrophobicContact CG-CG1 4.36Å; L154-Q302 HydrophobicContact CD1-CG 3.62Å; L154-Q302 HydrophobicContact CD2-CG 4.41Å; L154-Q302 HydrophobicContact CG-CG 4.43Å; L154-I305 HydrophobicContact CD2-CD1 4.19Å
155F93.2Very high84.5Confident1 Ų152.1 Ų52.10%0.00428%0.275CS..Hα-helixtrans-67-28.7-179-83-83000112.7L151 T152 I305 N343 L346 Y347 V350L151-F155 HydrophobicContact CB-CD2 4.43Å; L151-F155 HydrophobicContact CD2-CE2 4.37Å; L151-F155 VanDerWaalsContact O-CD2 3.24Å; L151-F155 WeakPolarHBondContact O-CD2 3.32Å; L151-F155 PolarHBondContact O-N 2.65Å; T152-F155 PolarHBondContact O-N 2.75Å; F155-I305 HydrophobicContact CD1-CD1 4.36Å; F155-I305 HydrophobicContact CE1-CD1 3.81Å; F155-I305 HydrophobicContact CE1-CG1 4.13Å; F155-I305 HydrophobicContact CE2-CD1 4.18Å; F155-I305 HydrophobicContact CZ-CD1 3.7Å; F155-I305 HydrophobicContact CZ-CG1 4.1Å; F155-N343 WeakPolarHBondContact CD1-O 3.2Å; F155-N343 WeakPolarHBondContact CD1-OD1 3.37Å; F155-N343 WeakPolarHBondContact CE1-O 3.48Å; F155-N343 PolarHBondContact O-ND2 3.04Å; F155-L346 HydrophobicContact CE1-CB 4.02Å; F155-L346 HydrophobicContact CE1-CD2 3.95Å; F155-L346 HydrophobicContact CE1-CG 3.79Å; F155-L346 HydrophobicContact CZ-CB 4.42Å; F155-L346 HydrophobicContact CZ-CD2 4.06Å; F155-L346 HydrophobicContact CZ-CG 3.77Å; F155-Y347 HydrophobicContact CB-CD2 3.8Å; F155-Y347 HydrophobicContact CB-CG 4.11Å; F155-Y347 AromaticContact CD2-CD2 3.55Å; F155-Y347 HydrophobicContact CD2-CD2 3.55Å; F155-Y347 HydrophobicContact CD2-CG 4.24Å; F155-Y347 HydrophobicContact CE2-CD2 4.26Å; F155-Y347 AromaticContact CG-CD2 3.73Å; F155-Y347 HydrophobicContact CG-CD2 3.73Å; F155-Y347 HydrophobicContact CG-CG 4.05Å; F155-V350 HydrophobicContact CE2-CG2 4.48Å; F155-V350 HydrophobicContact CZ-CG2 4.27Å
156M92Very high82.9Confident103 Ų10350.8 Ų50.851%0.50727%0.27SS..Hα-helixtrans-71.5-36174.1-76.3-178.968.500113.2T152 L153 L154 Q158 W344T152-M156 HydrophobicContact CG2-CG 4.45Å; T152-M156 HydrophobicContact CG2-SD 4Å; T152-M156 WeakPolarHBondContact O-CB 3.39Å; T152-M156 VanDerWaalsContact O-CG 3.24Å; T152-M156 WeakPolarHBondContact O-CG 3.29Å; T152-M156 PolarHBondContact O-N 2.96Å; L153-M156 PolarHBondContact O-N 2.69Å; L154-M156 VanDerWaalsContact C-N 3.29Å; L154-M156 PolarHBondContact O-N 3.08Å; M156-Q158 VanDerWaalsContact C-N 3.31Å; M156-Q158 PolarHBondContact O-N 3.1Å; M156-W344 HydrophobicContact CG-CH2 4.35Å
157I88.7Confident81.8Confident76 Ų7656.5 Ų56.539%0.3929%0.293SS..Hα-helixtrans-74.9-21.1-177.4-70.3168.2000112L153 L154 K159 H160 V165L153-I157 VanDerWaalsContact O-CG1 3.28Å; L153-I157 WeakPolarHBondContact O-CG1 3.49Å; L153-I157 PolarHBondContact O-N 2.83Å; L153-I157 VanDerWaalsContact O-N 3.12Å; L154-I157 PolarHBondContact O-N 2.93Å; I157-K159 PolarHBondContact O-N 3.37Å; I157-H160 PolarHBondContact O-N 2.63Å; I157-H160 PolarHBondContact O-ND1 2.95Å; I157-V165 HydrophobicContact CG2-CG2 3.9Å
158Q87.4Confident81.2Confident8 Ų861.6 Ų61.64%0.03732%0.32CS..G310 helixtrans-50.3-33.9-175.5-64.2-49.1-72.800115L154 M156 H160 G161 Q302 Y338 N343L154-Q158 WeakPolarHBondContact O-CG 3.2Å; L154-Q158 PolarHBondContact O-N 2.98Å; L154-Q158 PolarHBondContact O-NE2 3.4Å; M156-Q158 VanDerWaalsContact C-N 3.31Å; M156-Q158 PolarHBondContact O-N 3.1Å; Q158-H160 PolarHBondContact O-N 3.06Å; Q158-G161 PolarHBondContact O-N 2.81Å; Q158-G161 VanDerWaalsContact O-N 3.16Å; Q158-Q302 VanDerWaalsContact CD-NE2 3.32Å; Q158-Y338 HydrophobicContact CB-CD2 3.8Å; Q158-Y338 HydrophobicContact CB-CE2 3.57Å; Q158-N343 WeakPolarHBondContact CB-OD1 3.45Å; Q158-N343 WeakPolarHBondContact CG-OD1 3.43Å
159K80.4Confident80.7Confident126 Ų12660.3 Ų60.355%0.54831%0.313SS..G310 helixtrans-63.7-24.1179.869.9-177.8-178.5178.60114.2I157 G161 Y338I157-K159 PolarHBondContact O-N 3.37Å; K159-G161 PolarHBondContact O-N 3.37Å; K159-Y338 HydrophobicContact CB-CD1 4.27Å; K159-Y338 HydrophobicContact CB-CE1 3.77Å
160H76.6Confident80.2Confident116 Ų11656.3 Ų56.354%0.53729%0.293SS..G310 helixtrans-84.41.2-180-57.7101.5000112.8I157 Q158I157-H160 PolarHBondContact O-N 2.63Å; I157-H160 PolarHBondContact O-ND1 2.95Å; Q158-H160 PolarHBondContact O-N 3.06Å
161G66.6Low80.1Confident5 Ų558 Ų585%0.05230%0.304CS..  trans78.5154.6179.200000114Q158 K159 A163 T329Q158-G161 PolarHBondContact O-N 2.81Å; Q158-G161 VanDerWaalsContact O-N 3.16Å; K159-G161 PolarHBondContact O-N 3.37Å; G161-A163 PolarHBondContact O-N 2.95Å; G161-T329 WeakPolarHBondContact CA-OG1 3.4Å
162T60.3Low80Confident28 Ų2860 Ų6017%0.17232%0.315CS..Hα-helixtrans-72.3-13.817552.10000112.3M164 V165 G166 Q336T162-M164 VanDerWaalsContact C-N 3.33Å; T162-M164 PolarHBondContact O-N 2.77Å; T162-V165 PolarHBondContact O-N 3.33Å; T162-G166 VanDerWaalsContact O-CA 3.23Å; T162-G166 WeakPolarHBondContact O-CA 3.16Å; T162-G166 PolarHBondContact O-N 3.19Å; T162-Q336 VanDerWaalsContact OG1-CD 3.31Å; T162-Q336 VanDerWaalsContact OG1-CG 3.26Å; T162-Q336 WeakPolarHBondContact OG1-CG 3.41Å
163A58.1Low79.9Confident43 Ų4358.3 Ų58.336%0.35530%0.304SS..Hα-helixtrans-57.7-41.7177.100000113.5G161 Q336G161-A163 PolarHBondContact O-N 2.95Å; A163-Q336 VanDerWaalsContact CB-OE1 3.3Å
164M56.3Low80Confident145 Ų14556.1 Ų56.171%0.71429%0.293SS*.Hα-helixtrans-75.4-34-174.4-141.4-167.272.100111.8T162T162-M164 VanDerWaalsContact C-N 3.33Å; T162-M164 PolarHBondContact O-N 2.77Å
165V60.7Low80.2Confident35 Ų3558.9 Ų58.921%0.21231%0.31CS..Hα-helixtrans-96.1-29-176-152.30000112.3I157 T162 K167 L168 F169I157-V165 HydrophobicContact CG2-CG2 3.9Å; T162-V165 PolarHBondContact O-N 3.33Å; V165-K167 VanDerWaalsContact C-N 3.25Å; V165-K167 PolarHBondContact O-N 3.42Å; V165-L168 WeakPolarHBondContact O-CB 3.49Å; V165-L168 PolarHBondContact O-N 3.44Å; V165-F169 HydrophobicContact CB-CE1 3.77Å; V165-F169 HydrophobicContact CB-CE2 4.38Å; V165-F169 HydrophobicContact CB-CZ 3.63Å; V165-F169 HydrophobicContact CG1-CD1 4.02Å; V165-F169 HydrophobicContact CG1-CE1 3.16Å; V165-F169 HydrophobicContact CG1-CZ 3.49Å; V165-F169 VanDerWaalsContact CG1-CZ 3.49Å; V165-F169 WeakPolarHBondContact O-CD1 3.43Å; V165-F169 PolarHBondContact O-N 2.95Å
166G64.2Low80.4Confident23 Ų2358.8 Ų58.824%0.23731%0.31CS..Hα-helixtrans-62.8-26.8-174.500000114.3T162 L168 F169T162-G166 VanDerWaalsContact O-CA 3.23Å; T162-G166 WeakPolarHBondContact O-CA 3.16Å; T162-G166 PolarHBondContact O-N 3.19Å; G166-L168 PolarHBondContact O-N 3.26Å; G166-F169 PolarHBondContact O-N 2.93Å
167K72.1Confident80.6Confident176 Ų17653.9 Ų53.977%0.76529%0.286SS*.Hα-helixtrans-62.6-30172.6-68.2-176-177.9178.10112.6V165 P171V165-K167 VanDerWaalsContact C-N 3.25Å; V165-K167 PolarHBondContact O-N 3.42Å; K167-P171 WeakPolarHBondContact O-CD 3.26Å
168L82.3Confident81Confident108 Ų10855.5 Ų55.557%0.56530%0.295SS*.Hα-helixtrans-87.7-25.2177.3-64.9174.4000112.4V165 G166 A170 P171 I172V165-L168 WeakPolarHBondContact O-CB 3.49Å; V165-L168 PolarHBondContact O-N 3.44Å; G166-L168 PolarHBondContact O-N 3.26Å; L168-A170 VanDerWaalsContact C-N 3.35Å; L168-A170 PolarHBondContact O-N 3.42Å; L168-P171 WeakPolarHBondContact O-CD 3.32Å; L168-I172 HydrophobicContact CB-CD1 4.21Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CD1 3.36Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 2.95Å; L168-I172 VanDerWaalsContact O-N 3.16Å
169F86.8Confident81.5Confident11 Ų1157.1 Ų57.15%0.04830%0.303CS..Hα-helixtrans-60.9-44.1-177.3-67-9.8000112.6V165 G166 I172 M173 I299 Q302V165-F169 HydrophobicContact CB-CE1 3.77Å; V165-F169 HydrophobicContact CB-CE2 4.38Å; V165-F169 HydrophobicContact CB-CZ 3.63Å; V165-F169 HydrophobicContact CG1-CD1 4.02Å; V165-F169 HydrophobicContact CG1-CE1 3.16Å; V165-F169 HydrophobicContact CG1-CZ 3.49Å; V165-F169 VanDerWaalsContact CG1-CZ 3.49Å; V165-F169 WeakPolarHBondContact O-CD1 3.43Å; V165-F169 PolarHBondContact O-N 2.95Å; G166-F169 PolarHBondContact O-N 2.93Å; F169-I172 PolarHBondContact O-N 2.6Å; F169-M173 WeakPolarHBondContact O-CB 3.33Å; F169-M173 WeakPolarHBondContact O-CG 3.24Å; F169-M173 PolarHBondContact O-N 3.49Å; F169-I299 HydrophobicContact CB-CD1 4.15Å; F169-I299 HydrophobicContact CB-CG1 4.29Å; F169-I299 HydrophobicContact CB-CG2 4.19Å; F169-I299 HydrophobicContact CD1-CD1 3.91Å; F169-I299 HydrophobicContact CD1-CG1 3.55Å; F169-I299 HydrophobicContact CD2-CG2 4.41Å; F169-I299 HydrophobicContact CE1-CG1 3.92Å; F169-I299 HydrophobicContact CG-CD1 4.27Å; F169-I299 HydrophobicContact CG-CG1 3.94Å; F169-I299 HydrophobicContact CG-CG2 4.21Å; F169-Q302 HydrophobicContact CE2-CB 4.07Å; F169-Q302 HydrophobicContact CE2-CG 3.98Å; F169-Q302 HydrophobicContact CZ-CB 4.35Å; F169-Q302 HydrophobicContact CZ-CG 3.76Å
170A87Confident82.3Confident7 Ų751.1 Ų51.16%0.05828%0.277CS..Hα-helixtrans-66.8-46.8-176.500000114L14 L168 I172 L174L14-A170 HydrophobicContact CD1-CB 3.96Å; L14-A170 HydrophobicContact CG-CB 3.73Å; L14-A170 WeakPolarHBondContact O-CB 3.15Å; L168-A170 VanDerWaalsContact C-N 3.35Å; L168-A170 PolarHBondContact O-N 3.42Å; A170-I172 PolarHBondContact O-N 2.83Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 PolarHBondContact O-N 3.45Å
171P91.8Very high83.3Confident62 Ų6246.4 Ų46.440%0.40326%0.258SS..Hα-helixtrans-57.6-45.5170.6-26.533.9000113.4K167 L168 L174 T175K167-P171 WeakPolarHBondContact O-CD 3.26Å; L168-P171 WeakPolarHBondContact O-CD 3.32Å; P171-L174 PolarHBondContact O-N 2.88Å; P171-T175 WeakPolarHBondContact O-CB 3.38Å; P171-T175 PolarHBondContact O-N 2.76Å; P171-T175 PolarHBondContact O-OG1 3.34Å; P171-T175 VanDerWaalsContact O-OG1 3.09Å
172I93.7Very high84.7Confident42 Ų4248.1 Ų48.122%0.21528%0.276CS..Hα-helixtrans-62.1-47.9-178.8-67.9167.6000110.7L168 F169 A170 T175 W176 L295 I299L168-I172 HydrophobicContact CB-CD1 4.21Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CD1 3.36Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 2.95Å; L168-I172 VanDerWaalsContact O-N 3.16Å; F169-I172 PolarHBondContact O-N 2.6Å; A170-I172 PolarHBondContact O-N 2.83Å; I172-T175 PolarHBondContact O-N 3.49Å; I172-W176 WeakPolarHBondContact O-CB 3.34Å; I172-W176 PolarHBondContact O-N 3.4Å; I172-L295 HydrophobicContact CD1-CD1 4.48Å; I172-L295 HydrophobicContact CG2-CB 3.87Å; I172-I299 HydrophobicContact CB-CD1 3.75Å; I172-I299 HydrophobicContact CD1-CD1 4.32Å; I172-I299 HydrophobicContact CG2-CD1 3.53Å
173M94.4Very high86.4Confident0 Ų047.9 Ų47.90%027%0.273CS..Hα-helixtrans-67-36.8179.1-74.5-56.7-5800112.4I17 F169 W176 F177 A296 I299I17-M173 HydrophobicContact CG2-CB 4.18Å; F169-M173 WeakPolarHBondContact O-CB 3.33Å; F169-M173 WeakPolarHBondContact O-CG 3.24Å; F169-M173 PolarHBondContact O-N 3.49Å; M173-W176 HydrophobicContact CE-CG 4.49Å; M173-W176 WeakPolarHBondContact O-CB 3.24Å; M173-W176 PolarHBondContact O-N 3.02Å; M173-F177 HydrophobicContact CB-CE2 4.41Å; M173-F177 HydrophobicContact CE-CD2 4.35Å; M173-F177 HydrophobicContact CE-CE2 3.57Å; M173-F177 HydrophobicContact CE-CZ 3.79Å; M173-F177 WeakPolarHBondContact O-CD2 3.28Å; M173-F177 PolarHBondContact O-N 3.22Å; M173-A296 HydrophobicContact SD-CB 4.03Å; M173-I299 HydrophobicContact CG-CB 4.33Å; M173-I299 HydrophobicContact CG-CD1 3.94Å; M173-I299 HydrophobicContact CG-CG2 3.69Å; M173-I299 HydrophobicContact SD-CB 4.12Å; M173-I299 HydrophobicContact SD-CD1 4.2Å; M173-I299 HydrophobicContact SD-CG2 3.97Å
174L95.1Very high88.3Confident53 Ų5345.8 Ų45.828%0.27726%0.256SS..Hα-helixtrans-62.6-45.9173.8-178.263.1000110.7L14 I17 A170 P171 W176 F177 L178 V250L14-L174 HydrophobicContact CD1-CB 4.28Å; L14-L174 HydrophobicContact CD1-CD2 3.99Å; I17-L174 HydrophobicContact CD1-CD1 4.45Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 PolarHBondContact O-N 3.45Å; P171-L174 PolarHBondContact O-N 2.88Å; L174-W176 VanDerWaalsContact C-N 3.32Å; L174-W176 PolarHBondContact O-N 3.47Å; L174-F177 PolarHBondContact O-N 3.01Å; L174-L178 HydrophobicContact CG-CD1 4.27Å; L174-L178 VanDerWaalsContact O-CG 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.33Å; L174-L178 PolarHBondContact O-N 2.87Å; L174-V250 HydrophobicContact CD1-CG1 3.97Å; L174-V250 HydrophobicContact CD1-CG2 4.24Å
175T96.3Very high90.2Very high68 Ų6843 Ų4342%0.41724%0.244SC..Hα-helixtrans-59.1-43.2173.8-62.50000111.5P171 I172 L178 I179 I292P171-T175 WeakPolarHBondContact O-CB 3.38Å; P171-T175 PolarHBondContact O-N 2.76Å; P171-T175 PolarHBondContact O-OG1 3.34Å; P171-T175 VanDerWaalsContact O-OG1 3.09Å; I172-T175 PolarHBondContact O-N 3.49Å; T175-L178 PolarHBondContact O-N 3.29Å; T175-I179 HydrophobicContact CG2-CD1 3.82Å; T175-I179 HydrophobicContact CG2-CG1 4.47Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.29Å; T175-I179 PolarHBondContact O-N 3.02Å; T175-I292 HydrophobicContact CG2-CD1 4.38Å
176W97Very high91.9Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-56.2-53174.4171.6-107.1000111.8G25 L29 I172 M173 L174 L178 I179 L180 F277 L289 I292 A293 A296G25-W176 PolarHBondContact O-NE1 3.19Å; L29-W176 HydrophobicContact CD1-CH2 4.43Å; L29-W176 HydrophobicContact CD2-CH2 3.96Å; L29-W176 HydrophobicContact CG-CH2 4.14Å; L29-W176 HydrophobicContact CG-CZ2 4.3Å; I172-W176 WeakPolarHBondContact O-CB 3.34Å; I172-W176 PolarHBondContact O-N 3.4Å; M173-W176 HydrophobicContact CE-CG 4.49Å; M173-W176 WeakPolarHBondContact O-CB 3.24Å; M173-W176 PolarHBondContact O-N 3.02Å; L174-W176 VanDerWaalsContact C-N 3.32Å; L174-W176 PolarHBondContact O-N 3.47Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.41Å; W176-I179 WeakPolarHBondContact O-CB 3.43Å; W176-I179 PolarHBondContact O-N 2.88Å; W176-I179 VanDerWaalsContact O-N 3.11Å; W176-L180 HydrophobicContact CD2-CD2 4.43Å; W176-L180 HydrophobicContact CD2-CG 4.32Å; W176-L180 HydrophobicContact CH2-CD2 4.23Å; W176-L180 HydrophobicContact CZ2-CD1 4.43Å; W176-L180 HydrophobicContact CZ2-CD2 3.85Å; W176-L180 HydrophobicContact CZ2-CG 4.4Å; W176-L180 WeakPolarHBondContact O-CG 2.98Å; W176-L180 PolarHBondContact O-N 3.02Å; W176-F277 AromaticContact CH2-CE1 3.88Å; W176-F277 HydrophobicContact CH2-CE1 3.88Å; W176-F277 AromaticContact CH2-CE2 3.97Å; W176-F277 HydrophobicContact CH2-CE2 3.97Å; W176-F277 AromaticContact CH2-CZ 3.23Å; W176-F277 HydrophobicContact CH2-CZ 3.23Å; W176-F277 HydrophobicContact CZ2-CE2 4.35Å; W176-F277 HydrophobicContact CZ2-CZ 4.03Å; W176-F277 HydrophobicContact CZ3-CE1 4.3Å; W176-F277 AromaticContact CZ3-CZ 3.72Å; W176-F277 HydrophobicContact CZ3-CZ 3.72Å; W176-L289 HydrophobicContact CZ3-CD1 4.13Å; W176-I292 HydrophobicContact CB-CG2 4.32Å; W176-I292 HydrophobicContact CE3-CG2 3.84Å; W176-A293 HydrophobicContact CH2-CB 3.86Å; W176-A293 HydrophobicContact CZ3-CB 3.68Å; W176-A296 HydrophobicContact CB-CB 4.34Å; W176-A296 HydrophobicContact CD2-CB 3.67Å; W176-A296 HydrophobicContact CE3-CB 4.05Å; W176-A296 HydrophobicContact CG-CB 3.83Å; W176-A296 HydrophobicContact CZ2-CB 4.46Å
177F97.4Very high93.4Very high0 Ų047.4 Ų47.40%025%0.252CS..Hα-helixtrans-61.1-39.5178.3-75.3-59000112.8I17 M173 L174 I179 L180 A181 V250 V251 S254 L255I17-F177 HydrophobicContact CG2-CD2 3.76Å; I17-F177 HydrophobicContact CG2-CE2 3.86Å; M173-F177 HydrophobicContact CB-CE2 4.41Å; M173-F177 HydrophobicContact CE-CD2 4.35Å; M173-F177 HydrophobicContact CE-CE2 3.57Å; M173-F177 HydrophobicContact CE-CZ 3.79Å; M173-F177 WeakPolarHBondContact O-CD2 3.28Å; M173-F177 PolarHBondContact O-N 3.22Å; L174-F177 PolarHBondContact O-N 3.01Å; F177-I179 VanDerWaalsContact C-N 3.33Å; F177-I179 PolarHBondContact O-N 3.49Å; F177-L180 HydrophobicContact CD1-CD1 4.05Å; F177-L180 HydrophobicContact CE1-CD1 4.41Å; F177-L180 WeakPolarHBondContact O-CB 3.23Å; F177-L180 PolarHBondContact O-N 3.19Å; F177-A181 WeakPolarHBondContact O-CB 3.44Å; F177-A181 PolarHBondContact O-N 2.94Å; F177-V250 HydrophobicContact CB-CG1 3.62Å; F177-V250 HydrophobicContact CD2-CG1 3.98Å; F177-V250 HydrophobicContact CG-CG1 3.92Å; F177-V251 HydrophobicContact CD2-CG2 4.38Å; F177-V251 HydrophobicContact CE1-CB 4.25Å; F177-V251 HydrophobicContact CE1-CG1 3.76Å; F177-V251 HydrophobicContact CE1-CG2 4.22Å; F177-V251 HydrophobicContact CE2-CG2 3.88Å; F177-V251 HydrophobicContact CZ-CB 4.28Å; F177-V251 HydrophobicContact CZ-CG1 3.84Å; F177-V251 HydrophobicContact CZ-CG2 3.8Å; F177-S254 WeakPolarHBondContact O-CB 3.29Å; F177-S254 PolarHBondContact O-OG 3Å; F177-S254 VanDerWaalsContact O-OG 3.11Å; F177-L255 HydrophobicContact CE1-CD2 4.47Å
178L97Very high94.5Very high109 Ų10939.5 Ų39.557%0.57122%0.218SC*.Hα-helixtrans-63.8-38.4174.7-69.1173.6000112.3L174 T175 W176 A181 G182L174-L178 HydrophobicContact CG-CD1 4.27Å; L174-L178 VanDerWaalsContact O-CG 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.33Å; L174-L178 PolarHBondContact O-N 2.87Å; T175-L178 PolarHBondContact O-N 3.29Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.41Å; L178-A181 PolarHBondContact O-N 2.72Å; L178-G182 PolarHBondContact O-N 3.33Å
179I97Very high95.2Very high42 Ų4240.1 Ų40.122%0.21522%0.22CC..Hα-helixtrans-66.2-44.9174.3-71.5166.9000110.5T175 W176 F177 A181 G182 L183 L289 I292T175-I179 HydrophobicContact CG2-CD1 3.82Å; T175-I179 HydrophobicContact CG2-CG1 4.47Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.29Å; T175-I179 PolarHBondContact O-N 3.02Å; W176-I179 WeakPolarHBondContact O-CB 3.43Å; W176-I179 PolarHBondContact O-N 2.88Å; W176-I179 VanDerWaalsContact O-N 3.11Å; F177-I179 VanDerWaalsContact C-N 3.33Å; F177-I179 PolarHBondContact O-N 3.49Å; I179-A181 VanDerWaalsContact C-N 3.32Å; I179-A181 PolarHBondContact O-N 3.4Å; I179-G182 PolarHBondContact O-N 2.88Å; I179-L183 HydrophobicContact CG2-CD1 3.74Å; I179-L183 HydrophobicContact CG2-CG 4.1Å; I179-L183 WeakPolarHBondContact O-CB 3.39Å; I179-L183 WeakPolarHBondContact O-CG 3.47Å; I179-L183 PolarHBondContact O-N 3.27Å; I179-L289 HydrophobicContact CG2-CD1 3.75Å; I179-I292 HydrophobicContact CD1-CD1 3.32Å; I179-I292 HydrophobicContact CD1-CG2 4.16Å
180L97.2Very high95.5Very high0 Ų043 Ų430%025%0.246CC..Hα-helixtrans-54.3-50.2174.8-69.3-170.1000111.2P28 W176 F177 G184 L255 N258 F277P28-L180 HydrophobicContact CG-CD1 4.26Å; W176-L180 HydrophobicContact CD2-CD2 4.43Å; W176-L180 HydrophobicContact CD2-CG 4.32Å; W176-L180 HydrophobicContact CH2-CD2 4.23Å; W176-L180 HydrophobicContact CZ2-CD1 4.43Å; W176-L180 HydrophobicContact CZ2-CD2 3.85Å; W176-L180 HydrophobicContact CZ2-CG 4.4Å; W176-L180 WeakPolarHBondContact O-CG 2.98Å; W176-L180 PolarHBondContact O-N 3.02Å; F177-L180 HydrophobicContact CD1-CD1 4.05Å; F177-L180 HydrophobicContact CE1-CD1 4.41Å; F177-L180 WeakPolarHBondContact O-CB 3.23Å; F177-L180 PolarHBondContact O-N 3.19Å; L180-G184 PolarHBondContact O-N 2.87Å; L180-L255 HydrophobicContact CD1-CD2 4.24Å; L180-N258 HydrophobicContact CB-CB 4.01Å; L180-N258 HydrophobicContact CD2-CB 4.4Å; L180-N258 PolarHBondContact O-ND2 3.35Å; L180-F277 HydrophobicContact CD2-CE2 3.4Å; L180-F277 VanDerWaalsContact CD2-CE2 3.4Å; L180-F277 HydrophobicContact CD2-CZ 3.87Å
181A97.4Very high95.8Very high18 Ų1844.1 Ų44.115%0.14925%0.251CS..Hα-helixtrans-62.5-45.9178.300000112F177 L178 I179 G184 L185 L257F177-A181 WeakPolarHBondContact O-CB 3.44Å; F177-A181 PolarHBondContact O-N 2.94Å; L178-A181 PolarHBondContact O-N 2.72Å; I179-A181 VanDerWaalsContact C-N 3.32Å; I179-A181 PolarHBondContact O-N 3.4Å; A181-G184 PolarHBondContact O-N 3.04Å; A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 PolarHBondContact O-N 3.25Å; A181-L257 HydrophobicContact CB-CD1 3.82Å
182G97Very high96Very high41 Ų4144.9 Ų44.942%0.42326%0.256SS..Hα-helixtrans-66.2-47.4-178.400000113.4L178 I179 G184 R186L178-G182 PolarHBondContact O-N 3.33Å; I179-G182 PolarHBondContact O-N 2.88Å; G182-G184 VanDerWaalsContact C-N 3.34Å; G182-R186 WeakPolarHBondContact O-CB 3.37Å; G182-R186 PolarHBondContact O-N 2.67Å
183L96.3Very high96Very high22 Ų2247.2 Ų47.212%0.11527%0.266CS..Hα-helixtrans-64.1-41.7175.5-67.9-179.5000111.2I179 R186 S187 L280 A281 L289I179-L183 HydrophobicContact CG2-CD1 3.74Å; I179-L183 HydrophobicContact CG2-CG 4.1Å; I179-L183 WeakPolarHBondContact O-CB 3.39Å; I179-L183 WeakPolarHBondContact O-CG 3.47Å; I179-L183 PolarHBondContact O-N 3.27Å; L183-R186 PolarHBondContact O-N 3.2Å; L183-S187 PolarHBondContact O-N 3.28Å; L183-L280 HydrophobicContact CB-CD2 3.64Å; L183-L280 HydrophobicContact CB-CG 3.99Å; L183-A281 HydrophobicContact CD1-CB 4.13Å; L183-A281 HydrophobicContact CD2-CB 4.09Å; L183-L289 HydrophobicContact CD1-CD1 4.18Å; L183-L289 HydrophobicContact CD1-CD2 3.94Å
184G97Very high96Very high0 Ų047.2 Ų47.20%027%0.266CS..Hα-helixtrans-59.3-53.9176.600000112.3L180 A181 G182 R186 S187 I188 L257 G261L180-G184 PolarHBondContact O-N 2.87Å; A181-G184 PolarHBondContact O-N 3.04Å; G182-G184 VanDerWaalsContact C-N 3.34Å; G184-R186 VanDerWaalsContact C-N 3.34Å; G184-R186 PolarHBondContact O-N 2.97Å; G184-S187 PolarHBondContact O-N 2.71Å; G184-S187 VanDerWaalsContact O-N 3.17Å; G184-I188 VanDerWaalsContact O-CG1 3.32Å; G184-I188 WeakPolarHBondContact O-CG1 3.34Å; G184-I188 PolarHBondContact O-N 3.07Å; G184-L257 CarbonylContact C-O 3.05Å; G184-L257 WeakPolarHBondContact CA-O 3.44Å; G184-G261 WeakPolarHBondContact O-CA 3.42Å
185L96.6Very high96.1Very high85 Ų8548.4 Ų48.445%0.44527%0.272SS..Hα-helixtrans-60-41.7180-176.262.4000112.2A181 S187 I188 I189 L257A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 PolarHBondContact O-N 3.25Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 3.42Å; L185-I188 PolarHBondContact O-N 3.4Å; L185-I189 HydrophobicContact CD1-CD1 4.33Å; L185-I189 HydrophobicContact CD1-CG1 4.38Å; L185-I189 HydrophobicContact CG-CD1 4.01Å; L185-I189 VanDerWaalsContact O-CG1 3.29Å; L185-I189 WeakPolarHBondContact O-CG1 3.17Å; L185-I189 PolarHBondContact O-N 3.13Å; L185-L257 HydrophobicContact CD1-CD2 4.34Å
186R95.9Very high96Very high137 Ų13750.6 Ų50.652%0.51728%0.278SS..Hα-helixtrans-55.5-44.5176.3-172.9-176.788117.4-4.4111.7G182 L183 G184 A190 L280G182-R186 WeakPolarHBondContact O-CB 3.37Å; G182-R186 PolarHBondContact O-N 2.67Å; L183-R186 PolarHBondContact O-N 3.2Å; G184-R186 VanDerWaalsContact C-N 3.34Å; G184-R186 PolarHBondContact O-N 2.97Å; R186-A190 PolarHBondContact O-N 3.21Å; R186-L280 PolarHBondContact NH2-O 3.2Å
187S95.4Very high96Very high14 Ų1450.6 Ų50.610%0.09828%0.278CS..Hα-helixtrans-74.7-38-179.6-169.50000112.5L183 G184 L185 I189 A190 N191 G261 A264 L265 L280L183-S187 PolarHBondContact O-N 3.28Å; G184-S187 PolarHBondContact O-N 2.71Å; G184-S187 VanDerWaalsContact O-N 3.17Å; L185-S187 VanDerWaalsContact C-N 3.28Å; L185-S187 PolarHBondContact O-N 3.42Å; S187-I189 VanDerWaalsContact C-N 3.33Å; S187-I189 PolarHBondContact O-N 3.25Å; S187-A190 WeakPolarHBondContact O-CB 3.48Å; S187-A190 PolarHBondContact O-N 3.49Å; S187-A190 VanDerWaalsContact O-N 3.08Å; S187-N191 PolarHBondContact O-N 3.5Å; S187-N191 VanDerWaalsContact O-N 3.1Å; S187-G261 WeakPolarHBondContact CB-O 3.37Å; S187-G261 PolarHBondContact OG-O 3.48Å; S187-A264 WeakPolarHBondContact O-CB 3.45Å; S187-L265 PolarHBondContact OG-N 3.09Å; S187-L280 VanDerWaalsContact CB-CD1 3.42Å
188I96.8Very high95.9Very high10 Ų1053.8 Ų53.85%0.05129%0.294CS..Hα-helixtrans-59.9-42.1173.4-66.7166.6000111.1G184 L185 A190 N191 P192 V194 L195 L257 F260G184-I188 VanDerWaalsContact O-CG1 3.32Å; G184-I188 WeakPolarHBondContact O-CG1 3.34Å; G184-I188 PolarHBondContact O-N 3.07Å; L185-I188 PolarHBondContact O-N 3.4Å; I188-A190 PolarHBondContact O-N 2.9Å; I188-N191 CarbonylContact O-C 3.24Å; I188-N191 PolarHBondContact O-N 3.02Å; I188-N191 VanDerWaalsContact O-N 3.15Å; I188-P192 VanDerWaalsContact O-CA 3.23Å; I188-P192 WeakPolarHBondContact O-CA 3.49Å; I188-V194 HydrophobicContact CB-CG1 4.48Å; I188-V194 HydrophobicContact CG1-CG1 3.98Å; I188-V194 HydrophobicContact CG2-CG1 4.29Å; I188-L195 HydrophobicContact CG2-CD1 4.11Å; I188-L195 HydrophobicContact CG2-CD2 3.94Å; I188-L195 HydrophobicContact CG2-CG 3.94Å; I188-L257 HydrophobicContact CD1-CD2 3.79Å; I188-L257 WeakPolarHBondContact CD1-O 3.49Å; I188-F260 HydrophobicContact CD1-CB 3.75Å; I188-F260 HydrophobicContact CG1-CB 4.09Å
189I96.1Very high95.8Very high122 Ų12252.5 Ų52.563%0.62629%0.288SS*.Hα-helixtrans-60.6-34.9176.6-69.2165.1000111L185 S187L185-I189 HydrophobicContact CD1-CD1 4.33Å; L185-I189 HydrophobicContact CD1-CG1 4.38Å; L185-I189 HydrophobicContact CG-CD1 4.01Å; L185-I189 VanDerWaalsContact O-CG1 3.29Å; L185-I189 WeakPolarHBondContact O-CG1 3.17Å; L185-I189 PolarHBondContact O-N 3.13Å; S187-I189 VanDerWaalsContact C-N 3.33Å; S187-I189 PolarHBondContact O-N 3.25Å
190A93.3Very high95.7Very high71 Ų7153.2 Ų53.259%0.58730%0.295SS*.Hα-helixtrans-75.2-25.3178.500000113.5R186 S187 I188R186-A190 PolarHBondContact O-N 3.21Å; S187-A190 WeakPolarHBondContact O-CB 3.48Å; S187-A190 PolarHBondContact O-N 3.49Å; S187-A190 VanDerWaalsContact O-N 3.08Å; I188-A190 PolarHBondContact O-N 2.9Å
191N93.2Very high95.6Very high31 Ų3158.5 Ų58.517%0.16632%0.321CS..  trans-144.980.1175.4-167.4-13.7000111S187 I188 E193 V194 A264 L267S187-N191 PolarHBondContact O-N 3.5Å; S187-N191 VanDerWaalsContact O-N 3.1Å; I188-N191 CarbonylContact O-C 3.24Å; I188-N191 PolarHBondContact O-N 3.02Å; I188-N191 VanDerWaalsContact O-N 3.15Å; N191-E193 PolarHBondContact O-N 3.34Å; N191-V194 WeakPolarHBondContact O-CG1 3.48Å; N191-V194 PolarHBondContact O-N 3.27Å; N191-A264 HydrophobicContact CB-CB 3.96Å; N191-L267 WeakPolarHBondContact ND2-CB 3.43Å
192P95.1Very high95.5Very high77 Ų7760.3 Ų60.350%0.532%0.324SS..G310 helixtrans-70.3-13.9-172.327.3-35.3000113.6I188 V194 L195I188-P192 VanDerWaalsContact O-CA 3.23Å; I188-P192 WeakPolarHBondContact O-CA 3.49Å; P192-V194 PolarHBondContact O-N 3.2Å; P192-V194 VanDerWaalsContact O-N 3.11Å; P192-L195 WeakPolarHBondContact O-CB 3.42Å; P192-L195 WeakPolarHBondContact O-CG 3.47Å; P192-L195 PolarHBondContact O-N 2.63Å; P192-L195 VanDerWaalsContact O-N 3.11Å
193E94.8Very high95.3Very high91 Ų9158.8 Ų58.843%0.42531%0.308SS..G310 helixtrans-57.8-26.6177.1-64.1-167.2-178.500112.4R46 F50 N191 L195 H196R46-E193 IonicContact CZ-OE2 3.63Å; R46-E193 IonicContact NE-OE2 3.73Å; R46-E193 IonicContact NH2-OE2 2.78Å; R46-E193 PolarHBondContact NH2-OE2 2.82Å; F50-E193 WeakPolarHBondContact CE1-O 2.97Å; F50-E193 HydrophobicContact CZ-CB 4.32Å; F50-E193 WeakPolarHBondContact CZ-O 3.42Å; N191-E193 PolarHBondContact O-N 3.34Å; E193-L195 PolarHBondContact O-N 2.74Å; E193-H196 WeakPolarHBondContact O-CB 3.41Å; E193-H196 PolarHBondContact O-CD2 3.15Å; E193-H196 PolarHBondContact O-N 2.91Å
194V95Very high95.1Very high0 Ų061 Ų610%032%0.322CS..G310 helixtrans-57.1-26.1178.476.70000112.9L53 I188 N191 P192 H196 A197 F260 A264 L267L53-V194 HydrophobicContact CD1-CG2 3.29Å; I188-V194 HydrophobicContact CB-CG1 4.48Å; I188-V194 HydrophobicContact CG1-CG1 3.98Å; I188-V194 HydrophobicContact CG2-CG1 4.29Å; N191-V194 WeakPolarHBondContact O-CG1 3.48Å; N191-V194 PolarHBondContact O-N 3.27Å; P192-V194 PolarHBondContact O-N 3.2Å; P192-V194 VanDerWaalsContact O-N 3.11Å; V194-H196 PolarHBondContact O-N 3.41Å; V194-A197 VanDerWaalsContact O-CB 3.29Å; V194-A197 WeakPolarHBondContact O-CB 3.47Å; V194-A197 PolarHBondContact O-N 2.8Å; V194-A197 VanDerWaalsContact O-N 3.09Å; V194-F260 HydrophobicContact CG1-CB 4.26Å; V194-F260 HydrophobicContact CG1-CD1 4.35Å; V194-F260 HydrophobicContact CG2-CB 4.41Å; V194-F260 HydrophobicContact CG2-CD1 4.26Å; V194-F260 WeakPolarHBondContact CG2-O 3.46Å; V194-F260 WeakPolarHBondContact O-CD1 3.36Å; V194-F260 WeakPolarHBondContact O-CE1 3.45Å; V194-A264 HydrophobicContact CB-CB 4.14Å; V194-A264 HydrophobicContact CG1-CB 3.91Å; V194-L267 HydrophobicContact CB-CD1 4.2Å; V194-L267 HydrophobicContact CG2-CD1 4.3Å
195L96Very high94.9Very high79 Ų7964.6 Ų64.641%0.41434%0.339SS..G310 helixtrans-64.7-21.7179.2-66.3176.7000113.1I188 P192 E193 A197 L198 F260I188-L195 HydrophobicContact CG2-CD1 4.11Å; I188-L195 HydrophobicContact CG2-CD2 3.94Å; I188-L195 HydrophobicContact CG2-CG 3.94Å; P192-L195 WeakPolarHBondContact O-CB 3.42Å; P192-L195 WeakPolarHBondContact O-CG 3.47Å; P192-L195 PolarHBondContact O-N 2.63Å; P192-L195 VanDerWaalsContact O-N 3.11Å; E193-L195 PolarHBondContact O-N 2.74Å; L195-A197 PolarHBondContact O-N 3.06Å; L195-A197 VanDerWaalsContact O-N 3.17Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 WeakPolarHBondContact O-CG 3.42Å; L195-L198 PolarHBondContact O-N 3.43Å; L195-L198 VanDerWaalsContact O-N 3.1Å; L195-F260 HydrophobicContact CD2-CD1 4.24Å
196H95.5Very high94.6Very high114 Ų11460.6 Ų60.653%0.52832%0.318SS..G310 helixtrans-60.4-23.7173.7-73-60.9000112.5F50 E193 V194 L198 N199 W202F50-H196 HydrophobicContact CD1-CB 4.17Å; F50-H196 HydrophobicContact CE1-CB 3.66Å; E193-H196 WeakPolarHBondContact O-CB 3.41Å; E193-H196 PolarHBondContact O-CD2 3.15Å; E193-H196 PolarHBondContact O-N 2.91Å; V194-H196 PolarHBondContact O-N 3.41Å; H196-L198 PolarHBondContact O-N 3.12Å; H196-L198 VanDerWaalsContact O-N 3.13Å; H196-N199 WeakPolarHBondContact O-CB 2.98Å; H196-N199 PolarHBondContact O-N 2.81Å; H196-W202 PolarHBondContact O-NE1 3.48Å; H196-W202 VanDerWaalsContact O-NE1 3.12Å
197A95.3Very high94.3Very high0 Ų057.6 Ų57.60%031%0.309CS..G310 helixtrans-62.7-14.9175.800000113.8F50 L53 S54 V194 L195 N199 F260F50-A197 HydrophobicContact CB-CB 4.3Å; F50-A197 HydrophobicContact CD1-CB 4.26Å; F50-A197 HydrophobicContact CG-CB 4.33Å; L53-A197 HydrophobicContact CB-CB 3.66Å; L53-A197 HydrophobicContact CD1-CB 4.18Å; S54-A197 VanDerWaalsContact CA-O 3.23Å; S54-A197 WeakPolarHBondContact CA-O 3.36Å; S54-A197 WeakPolarHBondContact CB-O 3.13Å; S54-A197 PolarHBondContact OG-O 2.82Å; S54-A197 VanDerWaalsContact OG-O 3.08Å; V194-A197 VanDerWaalsContact O-CB 3.29Å; V194-A197 WeakPolarHBondContact O-CB 3.47Å; V194-A197 PolarHBondContact O-N 2.8Å; V194-A197 VanDerWaalsContact O-N 3.09Å; L195-A197 PolarHBondContact O-N 3.06Å; L195-A197 VanDerWaalsContact O-N 3.17Å; A197-N199 PolarHBondContact O-N 3.44Å; A197-F260 HydrophobicContact CB-CE1 3.8Å; A197-F260 HydrophobicContact CB-CZ 4.07Å
198L95.6Very high94.1Very high67 Ų6762.8 Ų62.835%0.35134%0.335SS..G310 helixtrans-60.5-26.1170.6-69.1173.1000112.5F57 W58 L195 H196 P200 F260F57-L198 HydrophobicContact CD1-CD2 3.94Å; F57-L198 HydrophobicContact CD2-CD2 3.79Å; F57-L198 HydrophobicContact CE1-CD2 3.8Å; F57-L198 HydrophobicContact CE2-CD2 3.64Å; F57-L198 HydrophobicContact CG-CD2 3.93Å; F57-L198 HydrophobicContact CZ-CD2 3.64Å; W58-L198 PolarHBondContact NE1-O 3.46Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 WeakPolarHBondContact O-CG 3.42Å; L195-L198 PolarHBondContact O-N 3.43Å; L195-L198 VanDerWaalsContact O-N 3.1Å; H196-L198 PolarHBondContact O-N 3.12Å; H196-L198 VanDerWaalsContact O-N 3.13Å; L198-P200 WeakPolarHBondContact O-CD 3.4Å; L198-F260 HydrophobicContact CD2-CE1 3.94Å; L198-F260 HydrophobicContact CD2-CE2 4.37Å; L198-F260 HydrophobicContact CD2-CZ 3.6Å; L198-F260 HydrophobicContact CG-CE1 3.78Å; L198-F260 HydrophobicContact CG-CZ 3.91Å
199N95.9Very high93.8Very high82 Ų8267.7 Ų67.744%0.43936%0.357SS..SBendtrans-70.3120.8176-176-13.5000109.9S54 H196 A197 M201 W202S54-N199 PolarHBondContact OG-O 2.94Å; H196-N199 WeakPolarHBondContact O-CB 2.98Å; H196-N199 PolarHBondContact O-N 2.81Å; A197-N199 PolarHBondContact O-N 3.44Å; N199-M201 PolarHBondContact O-N 3.37Å; N199-M201 VanDerWaalsContact OD1-CB 3.31Å; N199-M201 WeakPolarHBondContact OD1-CB 3.33Å; N199-M201 WeakPolarHBondContact OD1-CG 3.45Å; N199-M201 PolarHBondContact OD1-N 3.16Å; N199-W202 PolarHBondContact O-N 2.78Å; N199-W202 VanDerWaalsContact O-N 3.12Å
200P94.5Very high93.2Very high57 Ų5763.6 Ų63.637%0.3733%0.334SS..THydrogen-bonded Turntrans-62.7-16.4-179.225.2-33.5000113.2W58 L198 W202 A203 V204W58-P200 HydrophobicContact CD2-CB 4.3Å; W58-P200 HydrophobicContact CG-CB 4.36Å; W58-P200 HydrophobicContact CZ2-CB 4.28Å; W58-P200 HydrophobicContact CZ2-CG 3.99Å; L198-P200 WeakPolarHBondContact O-CD 3.4Å; P200-W202 PolarHBondContact O-N 2.77Å; P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.6Å; P200-A203 VanDerWaalsContact O-N 3.1Å; P200-V204 PolarHBondContact O-N 3.28Å; P200-V204 VanDerWaalsContact O-N 3.13Å
201M94.8Very high93Very high111 Ų11167.4 Ų67.455%0.54734%0.338SS..Hα-helixtrans-59.5-26.5174.1-70.3-56-56.900112.9N199 V204 H205N199-M201 PolarHBondContact O-N 3.37Å; N199-M201 VanDerWaalsContact OD1-CB 3.31Å; N199-M201 WeakPolarHBondContact OD1-CB 3.33Å; N199-M201 WeakPolarHBondContact OD1-CG 3.45Å; N199-M201 PolarHBondContact OD1-N 3.16Å; M201-V204 HydrophobicContact CE-CG1 4.46Å; M201-V204 PolarHBondContact O-N 3.25Å; M201-H205 VanDerWaalsContact O-CB 3.27Å; M201-H205 WeakPolarHBondContact O-CB 3.38Å; M201-H205 PolarHBondContact O-N 3.03Å
202W95.1Very high92.7Very high55 Ų5570.9 Ų70.921%0.20836%0.36CS..Hα-helixtrans-67.2-40.7173.9-73.8103.5000112.3F50 H196 N199 P200 H205 F206F50-W202 HydrophobicContact CB-CB 4.36Å; F50-W202 HydrophobicContact CB-CD2 3.64Å; F50-W202 HydrophobicContact CB-CE3 3.43Å; F50-W202 VanDerWaalsContact CB-CE3 3.43Å; F50-W202 HydrophobicContact CB-CG 4.05Å; F50-W202 HydrophobicContact CB-CZ3 3.9Å; F50-W202 AromaticContact CD1-CD2 3.69Å; F50-W202 HydrophobicContact CD1-CD2 3.69Å; F50-W202 AromaticContact CD1-CE2 3.4Å; F50-W202 HydrophobicContact CD1-CE3 4.01Å; F50-W202 HydrophobicContact CD1-CG 4.28Å; F50-W202 AromaticContact CD1-CH2 3.79Å; F50-W202 HydrophobicContact CD1-CH2 3.79Å; F50-W202 AromaticContact CD1-CZ2 3.46Å; F50-W202 HydrophobicContact CD1-CZ2 3.46Å; F50-W202 VanDerWaalsContact CD1-CZ2 3.46Å; F50-W202 HydrophobicContact CD1-CZ3 4.05Å; F50-W202 AromaticContact CD1-NE1 3.84Å; F50-W202 HydrophobicContact CE1-CH2 4.17Å; F50-W202 AromaticContact CE1-CZ2 3.77Å; F50-W202 HydrophobicContact CE1-CZ2 3.77Å; F50-W202 HydrophobicContact CG-CD2 4.13Å; F50-W202 HydrophobicContact CG-CE3 4.08Å; F50-W202 HydrophobicContact CG-CH2 4.31Å; F50-W202 HydrophobicContact CG-CZ2 4.37Å; F50-W202 HydrophobicContact CG-CZ3 4.17Å; H196-W202 PolarHBondContact O-NE1 3.48Å; H196-W202 VanDerWaalsContact O-NE1 3.12Å; N199-W202 PolarHBondContact O-N 2.78Å; N199-W202 VanDerWaalsContact O-N 3.12Å; P200-W202 PolarHBondContact O-N 2.77Å; W202-H205 PolarHBondContact O-N 3.39Å; W202-F206 VanDerWaalsContact O-CB 3.23Å; W202-F206 WeakPolarHBondContact O-CB 3.47Å; W202-F206 PolarHBondContact O-N 3.19Å
203A92.3Very high92.1Very high10 Ų1069.8 Ų69.88%0.08335%0.352CS..Hα-helixtrans-63-42.417200000111.6S54 L55 P200 F206 F207S54-A203 PolarHBondContact OG-N 3.31Å; L55-A203 HydrophobicContact CD2-CB 3.67Å; L55-A203 HydrophobicContact CG-CB 3.81Å; P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.6Å; P200-A203 VanDerWaalsContact O-N 3.1Å; A203-F206 WeakPolarHBondContact O-CB 3.48Å; A203-F206 PolarHBondContact O-N 3.39Å; A203-F207 WeakPolarHBondContact O-CD2 3.45Å; A203-F207 PolarHBondContact O-N 3.43Å; A203-F207 VanDerWaalsContact O-N 3.16Å
204V92.6Very high91.6Very high68 Ų6865.5 Ų65.541%0.41233%0.332SS..Hα-helixtrans-62.9-47.5176.5177.40000111.1P200 M201 F206 F207 L208P200-V204 PolarHBondContact O-N 3.28Å; P200-V204 VanDerWaalsContact O-N 3.13Å; M201-V204 HydrophobicContact CE-CG1 4.46Å; M201-V204 PolarHBondContact O-N 3.25Å; V204-F206 VanDerWaalsContact C-N 3.31Å; V204-F206 PolarHBondContact O-N 3.5Å; V204-F207 PolarHBondContact O-N 3.27Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 HydrophobicContact CG1-CG 4.49Å; V204-L208 WeakPolarHBondContact O-CG 3.47Å; V204-L208 PolarHBondContact O-N 3.43Å
205H92.4Very high91.2Very high76 Ų7668.8 Ų68.835%0.35235%0.346SS..Hα-helixtrans-60.4-42.6177.4-175-87.4000111.4M201 W202 F207 L208 E209M201-H205 VanDerWaalsContact O-CB 3.27Å; M201-H205 WeakPolarHBondContact O-CB 3.38Å; M201-H205 PolarHBondContact O-N 3.03Å; W202-H205 PolarHBondContact O-N 3.39Å; H205-F207 VanDerWaalsContact C-N 3.27Å; H205-F207 PolarHBondContact O-N 2.8Å; H205-L208 PolarHBondContact O-N 3.25Å; H205-E209 WeakPolarHBondContact O-CB 3.46Å; H205-E209 PolarHBondContact O-N 2.99Å
206F90.2Very high90.6Very high1 Ų167.3 Ų67.30%0.00434%0.338CS..Hα-helixtrans-56.5-41.5176.2-175.9-104.1000112.1F42 A48 F52 L55 W202 A203 V204 Y210 S214F42-F206 HydrophobicContact CE2-CZ 4.2Å; F42-F206 HydrophobicContact CZ-CE2 4.47Å; F42-F206 HydrophobicContact CZ-CZ 4.04Å; A48-F206 HydrophobicContact CB-CE2 4.25Å; F52-F206 HydrophobicContact CD1-CE1 4.49Å; F52-F206 HydrophobicContact CD1-CZ 4.3Å; F52-F206 HydrophobicContact CD2-CE2 4.32Å; F52-F206 HydrophobicContact CD2-CZ 4.22Å; F52-F206 HydrophobicContact CE1-CE1 4.16Å; F52-F206 AromaticContact CE1-CZ 3.85Å; F52-F206 HydrophobicContact CE1-CZ 3.85Å; F52-F206 HydrophobicContact CE2-CE2 4.05Å; F52-F206 AromaticContact CE2-CZ 3.74Å; F52-F206 HydrophobicContact CE2-CZ 3.74Å; F52-F206 HydrophobicContact CG-CZ 4.48Å; F52-F206 HydrophobicContact CZ-CE1 4.3Å; F52-F206 HydrophobicContact CZ-CE2 4.33Å; F52-F206 AromaticContact CZ-CZ 3.55Å; F52-F206 HydrophobicContact CZ-CZ 3.55Å; L55-F206 HydrophobicContact CD1-CD1 3.68Å; L55-F206 HydrophobicContact CD1-CE1 3.92Å; W202-F206 VanDerWaalsContact O-CB 3.23Å; W202-F206 WeakPolarHBondContact O-CB 3.47Å; W202-F206 PolarHBondContact O-N 3.19Å; A203-F206 WeakPolarHBondContact O-CB 3.48Å; A203-F206 PolarHBondContact O-N 3.39Å; V204-F206 VanDerWaalsContact C-N 3.31Å; V204-F206 PolarHBondContact O-N 3.5Å; F206-Y210 AromaticContact CD2-CD2 3.34Å; F206-Y210 HydrophobicContact CD2-CD2 3.34Å; F206-Y210 AromaticContact CD2-CE2 3.6Å; F206-Y210 HydrophobicContact CD2-CE2 3.6Å; F206-Y210 HydrophobicContact CD2-CG 4.49Å; F206-Y210 AromaticContact CE2-CD2 3.44Å; F206-Y210 HydrophobicContact CE2-CD2 3.44Å; F206-Y210 VanDerWaalsContact CE2-CD2 3.44Å; F206-Y210 AromaticContact CE2-CE2 3.7Å; F206-Y210 HydrophobicContact CE2-CE2 3.7Å; F206-Y210 HydrophobicContact CE2-CG 4.31Å; F206-Y210 HydrophobicContact CG-CD2 4.14Å; F206-Y210 HydrophobicContact CZ-CD2 4.33Å; F206-Y210 WeakPolarHBondContact O-CB 3.47Å; F206-Y210 PolarHBondContact O-N 3.04Å; F206-Y210 VanDerWaalsContact O-N 3.08Å; F206-S214 VanDerWaalsContact CD1-CB 3.47Å; F206-S214 WeakPolarHBondContact O-CB 3.25Å
207F91.1Very high90.1Very high74 Ų7461.9 Ų61.933%0.32531%0.313SS..Hα-helixtrans-67.3-38.9173.5-71.5-62.7000113.9L55 A203 V204 H205 K211 S214 L218L55-F207 HydrophobicContact CD2-CE2 3.67Å; L55-F207 HydrophobicContact CD2-CZ 3.8Å; A203-F207 WeakPolarHBondContact O-CD2 3.45Å; A203-F207 PolarHBondContact O-N 3.43Å; A203-F207 VanDerWaalsContact O-N 3.16Å; V204-F207 PolarHBondContact O-N 3.27Å; H205-F207 VanDerWaalsContact C-N 3.27Å; H205-F207 PolarHBondContact O-N 2.8Å; F207-K211 VanDerWaalsContact O-CA 3.27Å; F207-K211 WeakPolarHBondContact O-CA 3.29Å; F207-K211 PolarHBondContact O-N 3.41Å; F207-S214 WeakPolarHBondContact CA-OG 3.48Å; F207-S214 VanDerWaalsContact CD1-OG 3.24Å; F207-S214 WeakPolarHBondContact CD1-OG 3.25Å; F207-L218 HydrophobicContact CE1-CD1 3.7Å; F207-L218 HydrophobicContact CE1-CD2 4.03Å; F207-L218 HydrophobicContact CE1-CG 3.91Å; F207-L218 HydrophobicContact CZ-CD1 3.76Å; F207-L218 HydrophobicContact CZ-CD2 3.66Å; F207-L218 HydrophobicContact CZ-CG 4.01Å
208L91.5Very high89.8Confident122 Ų12262.2 Ų62.264%0.63932%0.315SS*.Hα-helixtrans-69.9-41.4-179.3-67.6172.9000112.1V204 H205 K211V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 HydrophobicContact CG1-CG 4.49Å; V204-L208 WeakPolarHBondContact O-CG 3.47Å; V204-L208 PolarHBondContact O-N 3.43Å; H205-L208 PolarHBondContact O-N 3.25Å; L208-K211 WeakPolarHBondContact O-CG 3.34Å
209E88.5Confident89.4Confident113 Ų11359 Ų5953%0.52830%0.298SS..Hα-helixtrans-74.8-55.5-176.6-171.161.1-158.700111.1H205H205-E209 WeakPolarHBondContact O-CB 3.46Å; H205-E209 PolarHBondContact O-N 2.99Å
210Y85.5Confident89Confident36 Ų3655.2 Ų55.214%0.14128%0.278CS..Hα-helixtrans-93.5-3.4-172.1-62.1-71.3000114F42 E45 A48 F206 T212 V213 S214F42-Y210 AromaticContact CD1-CD1 3.68Å; F42-Y210 HydrophobicContact CD1-CD1 3.68Å; F42-Y210 AromaticContact CD1-CE1 3.71Å; F42-Y210 HydrophobicContact CD1-CE1 3.71Å; F42-Y210 HydrophobicContact CD1-CG 4.19Å; F42-Y210 AromaticContact CE1-CD1 3.26Å; F42-Y210 HydrophobicContact CE1-CD1 3.26Å; F42-Y210 HydrophobicContact CE1-CD2 4.18Å; F42-Y210 AromaticContact CE1-CE1 3.81Å; F42-Y210 HydrophobicContact CE1-CE1 3.81Å; F42-Y210 AromaticContact CE1-CG 3.45Å; F42-Y210 HydrophobicContact CE1-CG 3.45Å; F42-Y210 VanDerWaalsContact CE1-CG 3.45Å; F42-Y210 HydrophobicContact CZ-CD1 4.39Å; F42-Y210 HydrophobicContact CZ-CG 4.2Å; E45-Y210 PolarHBondContact OE2-OH 3.41Å; A48-Y210 HydrophobicContact CB-CE2 4.22Å; F206-Y210 AromaticContact CD2-CD2 3.34Å; F206-Y210 HydrophobicContact CD2-CD2 3.34Å; F206-Y210 AromaticContact CD2-CE2 3.6Å; F206-Y210 HydrophobicContact CD2-CE2 3.6Å; F206-Y210 HydrophobicContact CD2-CG 4.49Å; F206-Y210 AromaticContact CE2-CD2 3.44Å; F206-Y210 HydrophobicContact CE2-CD2 3.44Å; F206-Y210 VanDerWaalsContact CE2-CD2 3.44Å; F206-Y210 AromaticContact CE2-CE2 3.7Å; F206-Y210 HydrophobicContact CE2-CE2 3.7Å; F206-Y210 HydrophobicContact CE2-CG 4.31Å; F206-Y210 HydrophobicContact CG-CD2 4.14Å; F206-Y210 HydrophobicContact CZ-CD2 4.33Å; F206-Y210 WeakPolarHBondContact O-CB 3.47Å; F206-Y210 PolarHBondContact O-N 3.04Å; F206-Y210 VanDerWaalsContact O-N 3.08Å; Y210-T212 PolarHBondContact O-N 3.03Å; Y210-V213 WeakPolarHBondContact O-CB 3.3Å; Y210-V213 PolarHBondContact O-N 3.1Å; Y210-S214 PolarHBondContact O-N 2.86Å
211K88.3Confident88.9Confident152 Ų15252.5 Ų52.566%0.66126%0.26SS*.Hα-helixtrans47.9-124.9169.3-58.1175.4-175169.20112.7F207 L208 V213 S214 F215F207-K211 VanDerWaalsContact O-CA 3.27Å; F207-K211 WeakPolarHBondContact O-CA 3.29Å; F207-K211 PolarHBondContact O-N 3.41Å; L208-K211 WeakPolarHBondContact O-CG 3.34Å; K211-V213 PolarHBondContact O-N 3.43Å; K211-V213 VanDerWaalsContact O-N 3.15Å; K211-S214 PolarHBondContact O-N 3.12Å; K211-S214 PolarHBondContact O-OG 2.87Å; K211-F215 PolarHBondContact O-N 2.85Å
212T85.7Confident88.8Confident103 Ų10347.2 Ų47.263%0.63223%0.234SC*.Hα-helixtrans-55.4-33.9-179.2-49.50000112.9Y210 F215 I216Y210-T212 PolarHBondContact O-N 3.03Å; T212-F215 WeakPolarHBondContact O-CB 3.37Å; T212-F215 PolarHBondContact O-N 2.83Å; T212-I216 HydrophobicContact CG2-CD1 4.33Å; T212-I216 WeakPolarHBondContact O-CG1 3.5Å; T212-I216 PolarHBondContact O-N 3.37Å; T212-I216 VanDerWaalsContact O-N 3.08Å
213V84Confident88.6Confident55 Ų5544.6 Ų44.633%0.33322%0.224SC..Hα-helixtrans-67-43.1-178.2-1650000110.9F40 F42 Y210 K211 F215 I216 A217F40-V213 HydrophobicContact CB-CG1 3.97Å; F40-V213 WeakPolarHBondContact O-CG1 3.45Å; F42-V213 HydrophobicContact CD1-CG1 4.46Å; F42-V213 HydrophobicContact CE1-CB 3.96Å; F42-V213 HydrophobicContact CE1-CG1 3.55Å; F42-V213 HydrophobicContact CE2-CG1 3.64Å; F42-V213 HydrophobicContact CZ-CB 3.63Å; F42-V213 HydrophobicContact CZ-CG1 3.1Å; Y210-V213 WeakPolarHBondContact O-CB 3.3Å; Y210-V213 PolarHBondContact O-N 3.1Å; K211-V213 PolarHBondContact O-N 3.43Å; K211-V213 VanDerWaalsContact O-N 3.15Å; V213-F215 PolarHBondContact O-N 2.94Å; V213-I216 PolarHBondContact O-N 2.81Å; V213-A217 WeakPolarHBondContact O-CB 3.29Å; V213-A217 PolarHBondContact O-N 3.41Å
214S83.8Confident88.7Confident0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-60.7-34.8174.564.30000112.7F206 F207 Y210 K211 A217 L218F206-S214 VanDerWaalsContact CD1-CB 3.47Å; F206-S214 WeakPolarHBondContact O-CB 3.25Å; F207-S214 WeakPolarHBondContact CA-OG 3.48Å; F207-S214 VanDerWaalsContact CD1-OG 3.24Å; F207-S214 WeakPolarHBondContact CD1-OG 3.25Å; Y210-S214 PolarHBondContact O-N 2.86Å; K211-S214 PolarHBondContact O-N 3.12Å; K211-S214 PolarHBondContact O-OG 2.87Å; S214-A217 PolarHBondContact O-N 2.91Å; S214-L218 PolarHBondContact O-N 3.4Å
215F86.5Confident88.8Confident69 Ų6940.9 Ų40.930%0.30320%0.201SC..Hα-helixtrans-65.1-48176.6-177.4-94.3000111.4K211 T212 V213 A217 L218 P410 T413 A414K211-F215 PolarHBondContact O-N 2.85Å; T212-F215 WeakPolarHBondContact O-CB 3.37Å; T212-F215 PolarHBondContact O-N 2.83Å; V213-F215 PolarHBondContact O-N 2.94Å; F215-A217 PolarHBondContact O-N 2.74Å; F215-L218 HydrophobicContact CD2-CD1 4.24Å; F215-L218 VanDerWaalsContact O-CB 3.27Å; F215-L218 WeakPolarHBondContact O-CB 3.28Å; F215-L218 PolarHBondContact O-N 2.83Å; F215-P410 HydrophobicContact CE2-CB 4.07Å; F215-T413 HydrophobicContact CE1-CG2 3.96Å; F215-T413 HydrophobicContact CZ-CG2 3.71Å; F215-A414 HydrophobicContact CD1-CB 4.37Å; F215-A414 HydrophobicContact CE1-CB 4.2Å; F215-A414 WeakPolarHBondContact O-CB 3.34Å
216I83.4Confident88.7Confident49 Ų4937.3 Ų37.325%0.25118%0.184SC..Hα-helixtrans-61.9-38.7176.5-58.8171.5000110.1F40 T212 V213 L218 G219F40-I216 HydrophobicContact CD1-CB 4.39Å; F40-I216 HydrophobicContact CD1-CG2 3.83Å; F40-I216 HydrophobicContact CE1-CG2 3.63Å; T212-I216 HydrophobicContact CG2-CD1 4.33Å; T212-I216 WeakPolarHBondContact O-CG1 3.5Å; T212-I216 PolarHBondContact O-N 3.37Å; T212-I216 VanDerWaalsContact O-N 3.08Å; V213-I216 PolarHBondContact O-N 2.81Å; I216-L218 PolarHBondContact O-N 3.06Å; I216-G219 PolarHBondContact O-N 3.36Å
217A85.1Confident88.5Confident0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-63.9-22.7179.600000113.8F40 F42 F52 V213 S214 F215 G219 A220 V221F40-A217 HydrophobicContact CD2-CB 4.2Å; F40-A217 HydrophobicContact CE2-CB 4.49Å; F40-A217 HydrophobicContact CG-CB 4.23Å; F42-A217 HydrophobicContact CE2-CB 3.87Å; F52-A217 HydrophobicContact CE1-CB 3.64Å; F52-A217 HydrophobicContact CZ-CB 3.65Å; V213-A217 WeakPolarHBondContact O-CB 3.29Å; V213-A217 PolarHBondContact O-N 3.41Å; S214-A217 PolarHBondContact O-N 2.91Å; F215-A217 PolarHBondContact O-N 2.74Å; A217-G219 PolarHBondContact O-N 3.36Å; A217-G219 VanDerWaalsContact O-N 3.13Å; A217-A220 WeakPolarHBondContact O-CB 3.4Å; A217-A220 PolarHBondContact O-N 2.97Å; A217-V221 PolarHBondContact O-N 3.28Å
218L88.9Confident88.4Confident7 Ų734 Ų344%0.03717%0.171CC..Hα-helixtrans-55.9-28.5170.2-67.9175.1000112.4L55 F207 S214 F215 I216 A220 V221 V222 P410 L411 A414L55-L218 HydrophobicContact CD1-CD2 3.94Å; L55-L218 HydrophobicContact CD2-CD2 4Å; F207-L218 HydrophobicContact CE1-CD1 3.7Å; F207-L218 HydrophobicContact CE1-CD2 4.03Å; F207-L218 HydrophobicContact CE1-CG 3.91Å; F207-L218 HydrophobicContact CZ-CD1 3.76Å; F207-L218 HydrophobicContact CZ-CD2 3.66Å; F207-L218 HydrophobicContact CZ-CG 4.01Å; S214-L218 PolarHBondContact O-N 3.4Å; F215-L218 HydrophobicContact CD2-CD1 4.24Å; F215-L218 VanDerWaalsContact O-CB 3.27Å; F215-L218 WeakPolarHBondContact O-CB 3.28Å; F215-L218 PolarHBondContact O-N 2.83Å; I216-L218 PolarHBondContact O-N 3.06Å; L218-A220 PolarHBondContact O-N 3.39Å; L218-V221 PolarHBondContact O-N 3.07Å; L218-V221 VanDerWaalsContact O-N 3.15Å; L218-V222 WeakPolarHBondContact O-CG2 3.42Å; L218-V222 PolarHBondContact O-N 3.32Å; L218-V222 VanDerWaalsContact O-N 3.1Å; L218-P410 HydrophobicContact CD1-CB 4.43Å; L218-L411 HydrophobicContact CB-CD2 4.28Å; L218-A414 HydrophobicContact CB-CB 3.76Å
219G87Confident88.1Confident0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-60-31.517400000113.2I216 A217 N415 K418I216-G219 PolarHBondContact O-N 3.36Å; A217-G219 PolarHBondContact O-N 3.36Å; A217-G219 VanDerWaalsContact O-N 3.13Å; G219-N415 WeakPolarHBondContact CA-OD1 3.24Å; G219-N415 PolarHBondContact O-OD1 3.09Å; G219-K418 PolarHBondContact O-NZ 3.17Å
220A88.6Confident87.7Confident1 Ų123 Ų231%0.00812%0.117CC..Hα-helixtrans-80.5-37.2172.900000111.7C35 F40 A217 L218 V222 L223C35-A220 HydrophobicContact CB-CB 4.46Å; F40-A220 HydrophobicContact CE2-CB 3.88Å; F40-A220 HydrophobicContact CZ-CB 4.12Å; A217-A220 WeakPolarHBondContact O-CB 3.4Å; A217-A220 PolarHBondContact O-N 2.97Å; L218-A220 PolarHBondContact O-N 3.39Å; A220-V222 PolarHBondContact O-N 3.4Å; A220-L223 WeakPolarHBondContact O-CB 3.12Å; A220-L223 WeakPolarHBondContact O-CD1 3.42Å; A220-L223 VanDerWaalsContact O-CG 3.24Å; A220-L223 WeakPolarHBondContact O-CG 3.47Å; A220-L223 PolarHBondContact O-N 2.93Å
221V92Very high87.7Confident0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-60.3-31.8178.8-173.20000112.3F52 L55 I56 L59 A217 L218 L223 S224F52-V221 HydrophobicContact CD1-CG2 3.65Å; F52-V221 HydrophobicContact CE1-CG2 3.91Å; L55-V221 HydrophobicContact CB-CG1 4.05Å; L55-V221 HydrophobicContact CD1-CG2 4.4Å; I56-V221 HydrophobicContact CG1-CG1 3.79Å; L59-V221 HydrophobicContact CD1-CB 4.39Å; L59-V221 HydrophobicContact CD1-CG1 3.44Å; L59-V221 VanDerWaalsContact CD1-CG1 3.44Å; A217-V221 PolarHBondContact O-N 3.28Å; L218-V221 PolarHBondContact O-N 3.07Å; L218-V221 VanDerWaalsContact O-N 3.15Å; V221-L223 PolarHBondContact O-N 3.17Å; V221-S224 WeakPolarHBondContact O-CB 3.26Å; V221-S224 PolarHBondContact O-N 2.97Å; V221-S224 PolarHBondContact O-OG 2.95Å
222V92.2Very high87.7Confident0 Ų014.2 Ų14.20%08%0.079CC..G310 helixtrans-52.9-28.3175165.70000113.1L218 A220 S224 I225 T226 T372 L411L218-V222 WeakPolarHBondContact O-CG2 3.42Å; L218-V222 PolarHBondContact O-N 3.32Å; L218-V222 VanDerWaalsContact O-N 3.1Å; A220-V222 PolarHBondContact O-N 3.4Å; V222-S224 PolarHBondContact O-N 2.87Å; V222-S224 VanDerWaalsContact O-N 3.09Å; V222-I225 WeakPolarHBondContact O-CG1 3.36Å; V222-I225 PolarHBondContact O-N 2.88Å; V222-T226 WeakPolarHBondContact O-CG2 3.19Å; V222-T372 HydrophobicContact CB-CG2 4.37Å; V222-T372 HydrophobicContact CG1-CG2 3.73Å; V222-T372 HydrophobicContact CG2-CG2 3.64Å; V222-L411 HydrophobicContact CG2-CB 3.96Å; V222-L411 HydrophobicContact CG2-CD2 3.64Å; V222-L411 HydrophobicContact CG2-CG 4.25Å
223L92Very high87.3Confident1 Ų19.7 Ų9.71%0.0055%0.052CC..G310 helixtrans-58.9-20.8176.5-65173.7000113.5S27 Y30 T31 E34 I123 A220 V221 T226 A364 Y367S27-L223 WeakPolarHBondContact CB-O 3.12Å; S27-L223 PolarHBondContact OG-O 3.15Å; Y30-L223 HydrophobicContact CD2-CB 4.09Å; Y30-L223 HydrophobicContact CD2-CD1 4.19Å; Y30-L223 HydrophobicContact CD2-CD2 4.47Å; Y30-L223 HydrophobicContact CD2-CG 4.49Å; Y30-L223 HydrophobicContact CE2-CB 3.86Å; Y30-L223 HydrophobicContact CE2-CD2 4.14Å; Y30-L223 HydrophobicContact CE2-CG 4.41Å; T31-L223 HydrophobicContact CG2-CB 4.2Å; T31-L223 PolarHBondContact OG1-O 3.09Å; E34-L223 HydrophobicContact CB-CD1 3.85Å; E34-L223 HydrophobicContact CG-CD1 3.98Å; I123-L223 HydrophobicContact CD1-CD2 4.47Å; A220-L223 WeakPolarHBondContact O-CB 3.12Å; A220-L223 WeakPolarHBondContact O-CD1 3.42Å; A220-L223 VanDerWaalsContact O-CG 3.24Å; A220-L223 WeakPolarHBondContact O-CG 3.47Å; A220-L223 PolarHBondContact O-N 2.93Å; V221-L223 PolarHBondContact O-N 3.17Å; L223-T226 WeakPolarHBondContact O-CG2 3.24Å; L223-T226 PolarHBondContact O-OG1 3.45Å; L223-A364 HydrophobicContact CD1-CB 4.09Å; L223-Y367 HydrophobicContact CD2-CD1 3.49Å; L223-Y367 VanDerWaalsContact CD2-CD1 3.49Å; L223-Y367 HydrophobicContact CD2-CE1 4.32Å; L223-Y367 HydrophobicContact CD2-CG 3.89Å
224S94.3Very high86.9Confident0 Ų07.1 Ų7.10%04%0.037CC..G310 helixtrans-75.7-21.6176.664.40000114.9V221 V222V221-S224 WeakPolarHBondContact O-CB 3.26Å; V221-S224 PolarHBondContact O-N 2.97Å; V221-S224 PolarHBondContact O-OG 2.95Å; V222-S224 PolarHBondContact O-N 2.87Å; V222-S224 VanDerWaalsContact O-N 3.09Å
225I93.7Very high86.7Confident0 Ų07.2 Ų7.20%04%0.037CC..G310 helixtrans-117.122.9-172.657.3168.3000112L59 L60 V63 V64 V222 V228 M375 L411L59-I225 HydrophobicContact CB-CG2 3.97Å; L60-I225 HydrophobicContact CD2-CG2 4.15Å; V63-I225 HydrophobicContact CB-CD1 4.35Å; V63-I225 HydrophobicContact CG1-CD1 4.16Å; V63-I225 HydrophobicContact CG2-CD1 4.17Å; V64-I225 HydrophobicContact CG2-CB 4.42Å; V64-I225 HydrophobicContact CG2-CG2 4.03Å; V222-I225 WeakPolarHBondContact O-CG1 3.36Å; V222-I225 PolarHBondContact O-N 2.88Å; I225-V228 HydrophobicContact CB-CG2 4.44Å; I225-V228 WeakPolarHBondContact O-CG2 3.23Å; I225-M375 HydrophobicContact CD1-CE 3.85Å; I225-M375 HydrophobicContact CD1-SD 4.05Å; I225-M375 HydrophobicContact CG1-CE 4.1Å; I225-L411 HydrophobicContact CD1-CD1 4.15Å
226T89.7Confident85.9Confident0 Ų04.5 Ų4.50%03%0.028CC..THydrogen-bonded Turntrans-72150.9176.561.50000110.6D23 I24 S27 V222 L223 V228 Y367D23-T226 PolarHBondContact OD1-OG1 2.94Å; I24-T226 WeakPolarHBondContact CA-O 3.2Å; I24-T226 VanDerWaalsContact CB-O 3.23Å; I24-T226 WeakPolarHBondContact CB-O 3.47Å; S27-T226 PolarHBondContact OG-OG1 3.26Å; V222-T226 WeakPolarHBondContact O-CG2 3.19Å; L223-T226 WeakPolarHBondContact O-CG2 3.24Å; L223-T226 PolarHBondContact O-OG1 3.45Å; T226-V228 VanDerWaalsContact C-N 3.3Å; T226-V228 PolarHBondContact O-N 2.97Å; T226-Y367 WeakPolarHBondContact CB-OH 3.11Å; T226-Y367 HydrophobicContact CG2-CD1 3.99Å; T226-Y367 HydrophobicContact CG2-CE1 3.09Å; T226-Y367 WeakPolarHBondContact CG2-OH 3.28Å
227G85.8Confident85.3Confident3 Ų34 Ų43%0.0313%0.025CC..THydrogen-bonded Turntrans80.6-0.9-178.800000116.3D23 E229 A230 L231D23-G227 VanDerWaalsContact CG-CA 3.42Å; D23-G227 WeakPolarHBondContact OD2-CA 3.25Å; D23-G227 PolarHBondContact OD2-N 2.81Å; G227-E229 VanDerWaalsContact C-N 3.25Å; G227-E229 PolarHBondContact O-N 3.02Å; G227-A230 WeakPolarHBondContact O-CB 3.41Å; G227-A230 PolarHBondContact O-N 3.11Å; G227-A230 VanDerWaalsContact O-N 3.14Å; G227-L231 PolarHBondContact O-N 3.37Å
228V90.1Very high84.9Confident3 Ų35.6 Ų5.62%0.0183%0.032CC..Hα-helixtrans-66.5-29.5177.8-179.80000112I24 V64 Y68 I225 T226 L231 Y232I24-V228 HydrophobicContact CD1-CG2 3.96Å; V64-V228 HydrophobicContact CB-CG2 4.4Å; V64-V228 HydrophobicContact CG1-CG2 4.17Å; V64-V228 HydrophobicContact CG2-CG2 3.58Å; Y68-V228 HydrophobicContact CD1-CG1 3.39Å; Y68-V228 HydrophobicContact CD2-CG1 3.28Å; Y68-V228 HydrophobicContact CE1-CG1 3.77Å; Y68-V228 HydrophobicContact CE2-CG1 3.66Å; Y68-V228 HydrophobicContact CG-CG1 3.11Å; I225-V228 HydrophobicContact CB-CG2 4.44Å; I225-V228 WeakPolarHBondContact O-CG2 3.23Å; T226-V228 VanDerWaalsContact C-N 3.3Å; T226-V228 PolarHBondContact O-N 2.97Å; V228-L231 WeakPolarHBondContact O-CB 3.33Å; V228-Y232 PolarHBondContact O-N 2.98Å
229E84.2Confident84.5Confident4 Ų46.6 Ų6.62%0.0194%0.044CC..Hα-helixtrans-70.7-37.9171.6-74-67.4163.800112.2Y68 F113 G227 L231 Y232 A233 T374 T378Y68-E229 HydrophobicContact CE1-CG 4.49Å; Y68-E229 WeakPolarHBondContact CE1-OE1 3.4Å; Y68-E229 PolarHBondContact OH-OE1 3.21Å; F113-E229 HydrophobicContact CD2-CB 3.85Å; F113-E229 HydrophobicContact CE2-CB 3.76Å; G227-E229 VanDerWaalsContact C-N 3.25Å; G227-E229 PolarHBondContact O-N 3.02Å; E229-L231 VanDerWaalsContact C-N 3.31Å; E229-L231 PolarHBondContact O-N 3.44Å; E229-Y232 PolarHBondContact O-N 2.84Å; E229-A233 PolarHBondContact O-N 3.44Å; E229-T374 HydrophobicContact CG-CG2 3.77Å; E229-T378 PolarHBondContact OE1-OG1 2.87Å
230A80.1Confident84.6Confident1 Ų19.2 Ų9.21%0.0086%0.055CC..Hα-helixtrans-62.8-41.2173.400000110.8F113 G227 Y232 A233 D234F113-A230 HydrophobicContact CE2-CB 4.43Å; F113-A230 HydrophobicContact CZ-CB 4.29Å; G227-A230 WeakPolarHBondContact O-CB 3.41Å; G227-A230 PolarHBondContact O-N 3.11Å; G227-A230 VanDerWaalsContact O-N 3.14Å; A230-Y232 VanDerWaalsContact C-N 3.26Å; A230-Y232 PolarHBondContact O-N 3.42Å; A230-A233 WeakPolarHBondContact O-CB 3.28Å; A230-A233 PolarHBondContact O-N 2.89Å; A230-A233 VanDerWaalsContact O-N 3.09Å; A230-D234 PolarHBondContact O-N 3.38Å
231L86.9Confident84.7Confident3 Ų315.2 Ų15.22%0.0168%0.081CC..Hα-helixtrans-56.4-40.6173.2168.3144.2000113V20 Y21 L69 M73 G227 V228 E229 M235 I243V20-L231 HydrophobicContact CG1-CB 3.68Å; V20-L231 HydrophobicContact CG1-CD1 3.68Å; V20-L231 HydrophobicContact CG1-CG 3.63Å; Y21-L231 HydrophobicContact CD1-CD1 4.19Å; Y21-L231 HydrophobicContact CE1-CD1 3.26Å; Y21-L231 HydrophobicContact CE2-CD1 4.44Å; Y21-L231 VanDerWaalsContact CZ-CD1 3.42Å; Y21-L231 WeakPolarHBondContact OH-CD1 3.5Å; L69-L231 HydrophobicContact CD2-CD1 3.92Å; L69-L231 HydrophobicContact CD2-CD2 3.85Å; L69-L231 HydrophobicContact CD2-CG 4.49Å; M73-L231 HydrophobicContact SD-CD2 4.18Å; G227-L231 PolarHBondContact O-N 3.37Å; V228-L231 WeakPolarHBondContact O-CB 3.33Å; E229-L231 VanDerWaalsContact C-N 3.31Å; E229-L231 PolarHBondContact O-N 3.44Å; L231-M235 PolarHBondContact O-N 2.9Å; L231-I243 HydrophobicContact CD1-CG2 3.62Å; L231-I243 HydrophobicContact CD2-CG2 4.41Å; L231-I243 HydrophobicContact CG-CG2 3.95Å
232Y87.4Confident84.7Confident0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-71.6-37.1177.9179.4-134.4000111.7V72 M73 A75 G81 G82 L86 V228 E229 A230 M235V72-Y232 HydrophobicContact CG1-CD1 3.82Å; V72-Y232 HydrophobicContact CG1-CD2 3.93Å; V72-Y232 HydrophobicContact CG1-CE1 3.72Å; V72-Y232 HydrophobicContact CG1-CE2 3.83Å; V72-Y232 HydrophobicContact CG1-CG 3.94Å; M73-Y232 HydrophobicContact CG-CD2 4.43Å; A75-Y232 PolarHBondContact O-OH 3.31Å; G81-Y232 CarbonylContact C-O 3.35Å; G81-Y232 VanDerWaalsContact CA-O 3.25Å; G81-Y232 WeakPolarHBondContact CA-O 3.31Å; G82-Y232 VanDerWaalsContact C-CE1 3.46Å; G82-Y232 VanDerWaalsContact CA-CD1 3.5Å; G82-Y232 PolarHBondContact N-O 2.72Å; G82-Y232 WeakPolarHBondContact O-CE1 3.37Å; L86-Y232 HydrophobicContact CB-CE1 4.17Å; L86-Y232 HydrophobicContact CD2-CE1 4.27Å; V228-Y232 PolarHBondContact O-N 2.98Å; E229-Y232 PolarHBondContact O-N 2.84Å; A230-Y232 VanDerWaalsContact C-N 3.26Å; A230-Y232 PolarHBondContact O-N 3.42Å; Y232-M235 HydrophobicContact CD2-CE 4.16Å; Y232-M235 HydrophobicContact CE2-CE 3.84Å; Y232-M235 WeakPolarHBondContact O-CB 2.92Å
233A78.5Confident84.6Confident8 Ų815.8 Ų15.87%0.0669%0.085CC..Hα-helixtrans-64.7-39.5175.100000112.7E229 A230 M235E229-A233 PolarHBondContact O-N 3.44Å; A230-A233 WeakPolarHBondContact O-CB 3.28Å; A230-A233 PolarHBondContact O-N 2.89Å; A230-A233 VanDerWaalsContact O-N 3.09Å; A233-M235 VanDerWaalsContact C-N 3.28Å; A233-M235 PolarHBondContact O-N 2.74Å
234D75.4Confident84.7Confident1 Ų119.1 Ų19.11%0.00510%0.098CC..THydrogen-bonded Turntrans-80.5-3.2-175.9-73.8-25000114.6V20 A230 G236 H237V20-D234 HydrophobicContact CG2-CB 4.22Å; A230-D234 PolarHBondContact O-N 3.38Å; D234-G236 PolarHBondContact O-N 2.83Å; D234-H237 PolarHBondContact O-N 3.48Å; D234-H237 IonicContact OD1-CD2 3.51Å
235M79.4Confident84.7Confident2 Ų222 Ų221%0.0111%0.113CC..Hα-helixtrans-54.9-27.5176-177.617859.200113M73 D76 G79 L231 Y232 A233 H237 G239 K240 I243M73-M235 HydrophobicContact CB-SD 3.84Å; M73-M235 HydrophobicContact CE-CB 4.08Å; M73-M235 HydrophobicContact CE-CG 3.69Å; M73-M235 HydrophobicContact CE-SD 3.7Å; M73-M235 HydrophobicContact CG-SD 4.06Å; M73-M235 VanDerWaalsContact O-SD 3.37Å; D76-M235 HydrophobicContact CB-CE 3.28Å; D76-M235 HydrophobicContact CB-SD 4.31Å; G79-M235 CarbonylContact O-C 3.58Å; L231-M235 PolarHBondContact O-N 2.9Å; Y232-M235 HydrophobicContact CD2-CE 4.16Å; Y232-M235 HydrophobicContact CE2-CE 3.84Å; Y232-M235 WeakPolarHBondContact O-CB 2.92Å; A233-M235 VanDerWaalsContact C-N 3.28Å; A233-M235 PolarHBondContact O-N 2.74Å; M235-H237 PolarHBondContact O-N 3.07Å; M235-G239 VanDerWaalsContact O-CA 3.31Å; M235-G239 WeakPolarHBondContact O-CA 3.49Å; M235-G239 PolarHBondContact O-N 2.89Å; M235-K240 HydrophobicContact CG-CG 4.02Å; M235-K240 HydrophobicContact SD-CD 4.1Å; M235-K240 HydrophobicContact SD-CG 3.49Å; M235-K240 WeakPolarHBondContact SD-CG 3.32Å; M235-I243 HydrophobicContact CB-CD1 4.36Å
236G69.5Low84.8Confident12 Ų1222 Ų2212%0.12411%0.113CC..Hα-helixtrans-64-15.6176.800000115.1G79 D234 R543G79-G236 WeakPolarHBondContact O-CA 3.37Å; G79-G236 PolarHBondContact O-N 3.01Å; D234-G236 PolarHBondContact O-N 2.83Å; G236-R543 PolarHBondContact O-NH2 3.11Å
237H69.8Low85.1Confident38 Ų3822 Ų2218%0.17611%0.113CC..Hα-helixtrans-101-46.6-176.5-55-27000112D234 M235 G335D234-H237 PolarHBondContact O-N 3.48Å; D234-H237 IonicContact OD1-CD2 3.51Å; M235-H237 PolarHBondContact O-N 3.07Å; H237-G335 WeakPolarHBondContact CE1-CA 3.38Å; H237-G335 VanDerWaalsContact ND1-CA 3.28Å; H237-G335 WeakPolarHBondContact ND1-CA 3.43Å; H237-G335 WeakPolarHBondContact NE2-CA 3.45Å
238F78.2Confident85.6Confident34 Ų3426.8 Ų26.815%0.14913%0.133CC..Hα-helixtrans-103.7-21-172.7-53.4-75.2000113.2I12 A15 A16 V19 V20 P242 I243I12-F238 HydrophobicContact CG2-CB 4.29Å; I12-F238 HydrophobicContact CG2-CD1 4.31Å; A15-F238 HydrophobicContact CB-CD1 4.21Å; A15-F238 HydrophobicContact CB-CE1 3.74Å; A16-F238 HydrophobicContact CB-CB 4.04Å; A16-F238 HydrophobicContact CB-CD1 4.05Å; A16-F238 HydrophobicContact CB-CG 3.92Å; V19-F238 HydrophobicContact CB-CE2 3.9Å; V19-F238 HydrophobicContact CB-CZ 3.59Å; V19-F238 HydrophobicContact CG1-CE2 3.95Å; V19-F238 HydrophobicContact CG1-CZ 3.94Å; V19-F238 HydrophobicContact CG2-CZ 3.86Å; V20-F238 HydrophobicContact CG2-CD2 3.26Å; V20-F238 HydrophobicContact CG2-CE2 3.44Å; V20-F238 VanDerWaalsContact CG2-CE2 3.44Å; V20-F238 HydrophobicContact CG2-CG 4.14Å; V20-F238 HydrophobicContact CG2-CZ 4.44Å; F238-P242 WeakPolarHBondContact O-CD 3.27Å; F238-P242 VanDerWaalsContact O-CG 3.27Å; F238-P242 WeakPolarHBondContact O-CG 3.49Å; F238-I243 HydrophobicContact CB-CD1 4.2Å; F238-I243 HydrophobicContact CB-CG1 3.98Å
239G80.6Confident85.9Confident28 Ų2830.4 Ų30.429%0.28916%0.155SC..  trans75.3170.4-171.600000113.5M235 I243M235-G239 VanDerWaalsContact O-CA 3.31Å; M235-G239 WeakPolarHBondContact O-CA 3.49Å; M235-G239 PolarHBondContact O-N 2.89Å; G239-I243 WeakPolarHBondContact O-CD1 3.5Å; G239-I243 VanDerWaalsContact O-CG1 3.28Å; G239-I243 WeakPolarHBondContact O-CG1 3.3Å
240K88.6Confident86.5Confident55 Ų5531.4 Ų31.424%0.23916%0.161CC..Hα-helixtrans-69.2-43.5-169.5-57.1176.9-164.3-167.10113.7M73 R74 D76 M235 R244M73-K240 HydrophobicContact CB-CG 4.5Å; M73-K240 HydrophobicContact CE-CB 4.21Å; M73-K240 HydrophobicContact CE-CG 4.21Å; M73-K240 VanDerWaalsContact O-CD 3.29Å; M73-K240 WeakPolarHBondContact O-CD 3.43Å; M73-K240 WeakPolarHBondContact O-CE 3.28Å; M73-K240 PolarHBondContact O-NZ 2.97Å; R74-K240 PolarHBondContact O-NZ 3.28Å; D76-K240 VanDerWaalsContact CG-CE 3.49Å; D76-K240 IonicContact OD1-NZ 3.07Å; D76-K240 PolarHBondContact OD1-NZ 3.01Å; D76-K240 IonicContact OD2-NZ 2.8Å; M235-K240 HydrophobicContact CG-CG 4.02Å; M235-K240 HydrophobicContact SD-CD 4.1Å; M235-K240 HydrophobicContact SD-CG 3.49Å; M235-K240 WeakPolarHBondContact SD-CG 3.32Å; K240-R244 VanDerWaalsContact O-CG 3.31Å; K240-R244 WeakPolarHBondContact O-CG 3.41Å; K240-R244 PolarHBondContact O-N 3.45Å; K240-R244 VanDerWaalsContact O-N 3.1Å
241F90.9Very high87.2Confident126 Ų12631.3 Ų31.355%0.55316%0.161SC*.Hα-helixtrans-71.9-45.7-170.8-176.7-100.5000113.1L9 I243 R244 L245L9-F241 HydrophobicContact CD1-CD1 3.7Å; L9-F241 HydrophobicContact CD1-CE1 3.89Å; L9-F241 HydrophobicContact CD2-CD1 4.34Å; L9-F241 HydrophobicContact CD2-CE1 3.7Å; L9-F241 HydrophobicContact CG-CE1 4.41Å; F241-I243 VanDerWaalsContact C-N 3.34Å; F241-I243 PolarHBondContact O-N 3.42Å; F241-R244 PolarHBondContact O-N 3.06Å; F241-L245 PolarHBondContact O-N 3.27Å
242P90.5Very high87.7Confident12 Ų1232.1 Ų32.18%0.07817%0.165CC..Hα-helixtrans-61-40.3175.4-26.738.9000113.1L9 I12 F238 L245 A246L9-P242 HydrophobicContact CD1-CG 3.95Å; I12-P242 HydrophobicContact CB-CB 4.42Å; I12-P242 HydrophobicContact CB-CG 4.33Å; I12-P242 HydrophobicContact CG2-CB 3.8Å; I12-P242 HydrophobicContact CG2-CG 3.72Å; F238-P242 WeakPolarHBondContact O-CD 3.27Å; F238-P242 VanDerWaalsContact O-CG 3.27Å; F238-P242 WeakPolarHBondContact O-CG 3.49Å; P242-L245 PolarHBondContact O-N 3.3Å; P242-A246 WeakPolarHBondContact O-CB 3.49Å; P242-A246 PolarHBondContact O-N 3.36Å
243I90.6Very high88.2Confident0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-58.8-51.3174.9-69176.6000110.3A16 V20 Y21 L69 M73 L231 M235 F238 G239 F241 L245 A246 W247A16-I243 HydrophobicContact CB-CG1 4.3Å; V20-I243 HydrophobicContact CG1-CD1 4.32Å; V20-I243 HydrophobicContact CG1-CG1 4.39Å; V20-I243 HydrophobicContact CG1-CG2 4.34Å; V20-I243 HydrophobicContact CG2-CD1 4.27Å; V20-I243 HydrophobicContact CG2-CG1 4.2Å; Y21-I243 HydrophobicContact CE2-CG2 4.3Å; Y21-I243 WeakPolarHBondContact OH-CG2 3.29Å; Y21-I243 PolarHBondContact OH-O 3.2Å; L69-I243 HydrophobicContact CD2-CG2 3.77Å; M73-I243 HydrophobicContact CE-CB 3.98Å; M73-I243 HydrophobicContact CE-CD1 3.71Å; M73-I243 HydrophobicContact CE-CG1 4.42Å; M73-I243 HydrophobicContact CE-CG2 3.81Å; M73-I243 HydrophobicContact SD-CG2 4.18Å; L231-I243 HydrophobicContact CD1-CG2 3.62Å; L231-I243 HydrophobicContact CD2-CG2 4.41Å; L231-I243 HydrophobicContact CG-CG2 3.95Å; M235-I243 HydrophobicContact CB-CD1 4.36Å; F238-I243 HydrophobicContact CB-CD1 4.2Å; F238-I243 HydrophobicContact CB-CG1 3.98Å; G239-I243 WeakPolarHBondContact O-CD1 3.5Å; G239-I243 VanDerWaalsContact O-CG1 3.28Å; G239-I243 WeakPolarHBondContact O-CG1 3.3Å; F241-I243 VanDerWaalsContact C-N 3.34Å; F241-I243 PolarHBondContact O-N 3.42Å; I243-L245 PolarHBondContact O-N 3.31Å; I243-A246 PolarHBondContact O-N 3.03Å; I243-W247 PolarHBondContact O-N 3.49Å
244R94.5Very high89.1Confident72 Ų7234.4 Ų34.427%0.27218%0.179SC..Hα-helixtrans-59.9-42.7177.4-72.4174.3-177-178.3-0.4112.9L69 T70 K240 F241 W247 F248L69-R244 HydrophobicContact CB-CG 4.3Å; L69-R244 HydrophobicContact CD2-CG 4.31Å; L69-R244 PolarHBondContact O-NE 3.42Å; L69-R244 PolarHBondContact O-NH2 3.04Å; T70-R244 PolarHBondContact O-NH2 2.97Å; K240-R244 VanDerWaalsContact O-CG 3.31Å; K240-R244 WeakPolarHBondContact O-CG 3.41Å; K240-R244 PolarHBondContact O-N 3.45Å; K240-R244 VanDerWaalsContact O-N 3.1Å; F241-R244 PolarHBondContact O-N 3.06Å; R244-W247 WeakPolarHBondContact O-CB 3.33Å; R244-W247 PolarHBondContact O-N 3.31Å; R244-F248 VanDerWaalsContact O-CD2 3.22Å; R244-F248 WeakPolarHBondContact O-CD2 3.4Å; R244-F248 PolarHBondContact O-N 2.93Å; R244-F248 VanDerWaalsContact O-N 3.11Å
245L95.2Very high90.2Very high61 Ų6134.4 Ų34.432%0.31918%0.179SC..Hα-helixtrans-62.2-47.2179.6-174.663.5000110.5T13 F241 P242 I243 W247 F248 T249T13-L245 HydrophobicContact CG2-CB 4.11Å; T13-L245 HydrophobicContact CG2-CD2 4.02Å; T13-L245 HydrophobicContact CG2-CG 4.07Å; F241-L245 PolarHBondContact O-N 3.27Å; P242-L245 PolarHBondContact O-N 3.3Å; I243-L245 PolarHBondContact O-N 3.31Å; L245-W247 VanDerWaalsContact C-N 3.32Å; L245-W247 PolarHBondContact O-N 2.86Å; L245-F248 PolarHBondContact O-N 3.49Å; L245-T249 HydrophobicContact CD1-CG2 3.74Å; L245-T249 HydrophobicContact CG-CG2 4.36Å; L245-T249 WeakPolarHBondContact O-CB 3.18Å; L245-T249 WeakPolarHBondContact O-CG2 3.35Å; L245-T249 PolarHBondContact O-N 2.85Å; L245-T249 VanDerWaalsContact O-N 3.09Å; L245-T249 PolarHBondContact O-OG1 3.27Å
246A94.2Very high91Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-56.7-43.2175.100000112.4T13 I17 Y21 P242 I243 V250 V251T13-A246 HydrophobicContact CG2-CB 3.97Å; I17-A246 HydrophobicContact CD1-CB 4.29Å; I17-A246 HydrophobicContact CG1-CB 3.48Å; I17-A246 VanDerWaalsContact CG1-CB 3.48Å; Y21-A246 HydrophobicContact CD2-CB 4.12Å; Y21-A246 HydrophobicContact CE2-CB 3.67Å; P242-A246 WeakPolarHBondContact O-CB 3.49Å; P242-A246 PolarHBondContact O-N 3.36Å; I243-A246 PolarHBondContact O-N 3.03Å; A246-V250 PolarHBondContact O-N 2.92Å; A246-V250 VanDerWaalsContact O-N 3.09Å; A246-V251 PolarHBondContact O-N 3.32Å; A246-V251 VanDerWaalsContact O-N 3.14Å
247W96.1Very high92.4Very high0 Ų037.1 Ų37.10%019%0.192CC..Iπ-helixtrans-58.3-59.1176.9-176.4-111.3000113.1Y21 I24 L60 V64 S65 L69 I243 R244 L245 T249 V251 L252 L255Y21-W247 AromaticContact CD1-CE3 3.84Å; Y21-W247 HydrophobicContact CD1-CE3 3.84Å; Y21-W247 HydrophobicContact CD1-CZ3 4.14Å; Y21-W247 HydrophobicContact CE1-CB 4.41Å; Y21-W247 HydrophobicContact CE1-CD2 4.22Å; Y21-W247 AromaticContact CE1-CE3 3.29Å; Y21-W247 HydrophobicContact CE1-CE3 3.29Å; Y21-W247 AromaticContact CE1-CZ3 3.9Å; Y21-W247 HydrophobicContact CE1-CZ3 3.9Å; Y21-W247 AromaticContact CZ-CE3 4Å; Y21-W247 WeakPolarHBondContact OH-CB 3.36Å; I24-W247 HydrophobicContact CD1-CH2 3.78Å; I24-W247 HydrophobicContact CD1-CZ3 3.91Å; I24-W247 HydrophobicContact CG2-CZ3 4.3Å; L60-W247 HydrophobicContact CB-CZ2 4.41Å; L60-W247 HydrophobicContact CD2-CH2 3.94Å; L60-W247 HydrophobicContact CD2-CZ2 4.41Å; V64-W247 HydrophobicContact CB-CH2 3.78Å; V64-W247 HydrophobicContact CB-CZ2 3.49Å; V64-W247 VanDerWaalsContact CB-CZ2 3.49Å; V64-W247 HydrophobicContact CG1-CD2 4.18Å; V64-W247 HydrophobicContact CG1-CE3 4.21Å; V64-W247 HydrophobicContact CG1-CH2 3.44Å; V64-W247 VanDerWaalsContact CG1-CH2 3.44Å; V64-W247 HydrophobicContact CG1-CZ2 3.41Å; V64-W247 VanDerWaalsContact CG1-CZ2 3.41Å; V64-W247 HydrophobicContact CG1-CZ3 3.85Å; V64-W247 HydrophobicContact CG2-CH2 4.03Å; V64-W247 HydrophobicContact CG2-CZ2 4.14Å; S65-W247 PolarHBondContact OG-NE1 3.06Å; L69-W247 HydrophobicContact CD1-CB 3.53Å; L69-W247 HydrophobicContact CD1-CD2 3.87Å; L69-W247 HydrophobicContact CD1-CG 3.23Å; I243-W247 PolarHBondContact O-N 3.49Å; R244-W247 WeakPolarHBondContact O-CB 3.33Å; R244-W247 PolarHBondContact O-N 3.31Å; L245-W247 VanDerWaalsContact C-N 3.32Å; L245-W247 PolarHBondContact O-N 2.86Å; W247-T249 VanDerWaalsContact C-N 3.32Å; W247-T249 PolarHBondContact O-N 2.96Å; W247-V251 HydrophobicContact CE3-CB 3.8Å; W247-V251 HydrophobicContact CE3-CG1 3.57Å; W247-V251 HydrophobicContact CZ3-CB 4.25Å; W247-V251 HydrophobicContact CZ3-CG1 3.5Å; W247-V251 PolarHBondContact O-N 2.89Å; W247-L252 HydrophobicContact CD2-CB 4.1Å; W247-L252 HydrophobicContact CG-CB 4.37Å; W247-L252 HydrophobicContact CZ2-CB 4.11Å; W247-L252 HydrophobicContact CZ2-CD1 3.92Å; W247-L252 VanDerWaalsContact O-CB 3.32Å; W247-L252 WeakPolarHBondContact O-CB 3.49Å; W247-L252 PolarHBondContact O-N 3.35Å; W247-L255 HydrophobicContact CH2-CD1 4.28Å; W247-L255 HydrophobicContact CZ3-CD1 4.24Å
248F96.6Very high93.7Very high102 Ų10235.3 Ų35.345%0.44718%0.183SC..Iπ-helixtrans-75.2-21.6-169.9-71.7-67.9000113.2L69 R244 L245 L252L69-F248 HydrophobicContact CD1-CE2 4.42Å; R244-F248 VanDerWaalsContact O-CD2 3.22Å; R244-F248 WeakPolarHBondContact O-CD2 3.4Å; R244-F248 PolarHBondContact O-N 2.93Å; R244-F248 VanDerWaalsContact O-N 3.11Å; L245-F248 PolarHBondContact O-N 3.49Å; F248-L252 HydrophobicContact CD1-CD2 4.1Å; F248-L252 HydrophobicContact CE1-CD2 4.36Å
249T96Very high94.6Very high79 Ų7933.8 Ų33.849%0.48518%0.176SC..Iπ-helixtrans-95.9-36.2-177.959.10000113.8L245 W247L245-T249 HydrophobicContact CD1-CG2 3.74Å; L245-T249 HydrophobicContact CG-CG2 4.36Å; L245-T249 WeakPolarHBondContact O-CB 3.18Å; L245-T249 WeakPolarHBondContact O-CG2 3.35Å; L245-T249 PolarHBondContact O-N 2.85Å; L245-T249 VanDerWaalsContact O-N 3.09Å; L245-T249 PolarHBondContact O-OG1 3.27Å; W247-T249 VanDerWaalsContact C-N 3.32Å; W247-T249 PolarHBondContact O-N 2.96Å
250V96.6Very high95.4Very high25 Ų2532.6 Ų32.615%0.15216%0.164CC..Iπ-helixtrans-119.9-55.7-172.4177.60000111.2I17 L174 F177 A246 S254I17-V250 HydrophobicContact CD1-CB 4.14Å; I17-V250 HydrophobicContact CD1-CG1 4.36Å; I17-V250 HydrophobicContact CD1-CG2 3.85Å; L174-V250 HydrophobicContact CD1-CG1 3.97Å; L174-V250 HydrophobicContact CD1-CG2 4.24Å; F177-V250 HydrophobicContact CB-CG1 3.62Å; F177-V250 HydrophobicContact CD2-CG1 3.98Å; F177-V250 HydrophobicContact CG-CG1 3.92Å; A246-V250 PolarHBondContact O-N 2.92Å; A246-V250 VanDerWaalsContact O-N 3.09Å; V250-S254 WeakPolarHBondContact O-CB 3.25Å; V250-S254 PolarHBondContact O-N 3.46Å; V250-S254 VanDerWaalsContact O-N 3.13Å; V250-S254 PolarHBondContact O-OG 3.47Å
251V96.6Very high95.8Very high0 Ų030 Ų300%015%0.152CC..Iπ-helixtrans-73.3-55.8-164.8-177.70000112Y21 I24 F177 A246 W247 S254 L255Y21-V251 HydrophobicContact CD1-CB 4.33Å; Y21-V251 HydrophobicContact CD1-CG1 3.87Å; Y21-V251 HydrophobicContact CD1-CG2 4.03Å; Y21-V251 HydrophobicContact CD2-CG2 3.72Å; Y21-V251 HydrophobicContact CE2-CG2 4.31Å; Y21-V251 HydrophobicContact CG-CB 4.34Å; Y21-V251 HydrophobicContact CG-CG1 4.14Å; Y21-V251 HydrophobicContact CG-CG2 3.56Å; I24-V251 HydrophobicContact CG2-CG1 4.41Å; F177-V251 HydrophobicContact CD2-CG2 4.38Å; F177-V251 HydrophobicContact CE1-CB 4.25Å; F177-V251 HydrophobicContact CE1-CG1 3.76Å; F177-V251 HydrophobicContact CE1-CG2 4.22Å; F177-V251 HydrophobicContact CE2-CG2 3.88Å; F177-V251 HydrophobicContact CZ-CB 4.28Å; F177-V251 HydrophobicContact CZ-CG1 3.84Å; F177-V251 HydrophobicContact CZ-CG2 3.8Å; A246-V251 PolarHBondContact O-N 3.32Å; A246-V251 VanDerWaalsContact O-N 3.14Å; W247-V251 HydrophobicContact CE3-CB 3.8Å; W247-V251 HydrophobicContact CE3-CG1 3.57Å; W247-V251 HydrophobicContact CZ3-CB 4.25Å; W247-V251 HydrophobicContact CZ3-CG1 3.5Å; W247-V251 PolarHBondContact O-N 2.89Å; V251-S254 PolarHBondContact O-N 3.32Å; V251-L255 HydrophobicContact CG1-CD1 3.79Å; V251-L255 HydrophobicContact CG1-CG 4.21Å; V251-L255 WeakPolarHBondContact O-CB 3.49Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.35Å; V251-L255 PolarHBondContact O-N 2.88Å
252L97.1Very high96.1Very high20 Ų2024 Ų2411%0.10513%0.126CC..Hα-helixtrans-58.8-47.5-179.1173.568.8000112.3L60 I61 W247 F248 S254 T256L60-L252 HydrophobicContact CB-CD1 4.02Å; I61-L252 HydrophobicContact CD1-CD1 4.2Å; I61-L252 HydrophobicContact CD1-CD2 3.95Å; W247-L252 HydrophobicContact CD2-CB 4.1Å; W247-L252 HydrophobicContact CG-CB 4.37Å; W247-L252 HydrophobicContact CZ2-CB 4.11Å; W247-L252 HydrophobicContact CZ2-CD1 3.92Å; W247-L252 VanDerWaalsContact O-CB 3.32Å; W247-L252 WeakPolarHBondContact O-CB 3.49Å; W247-L252 PolarHBondContact O-N 3.35Å; F248-L252 HydrophobicContact CD1-CD2 4.1Å; F248-L252 HydrophobicContact CE1-CD2 4.36Å; L252-S254 PolarHBondContact O-N 3.07Å; L252-T256 WeakPolarHBondContact O-CB 3.49Å; L252-T256 PolarHBondContact O-N 3.49Å; L252-T256 PolarHBondContact O-OG1 3.44Å
253P97.7Very high96.4Very high50 Ų5023.5 Ų23.533%0.32512%0.122SC..Hα-helixtrans-58.9-44.4175-25.435.3000112.7T256 L257P253-T256 PolarHBondContact O-N 3.32Å; P253-L257 WeakPolarHBondContact O-CB 3.46Å; P253-L257 WeakPolarHBondContact O-CG 3.19Å; P253-L257 PolarHBondContact O-N 3.46Å
254S97.7Very high96.6Very high6 Ų623.5 Ų23.54%0.04212%0.123CC..Hα-helixtrans-66.6-43.6-177.3-58.10000112.6F177 V250 V251 L252 N258F177-S254 WeakPolarHBondContact O-CB 3.29Å; F177-S254 PolarHBondContact O-OG 3Å; F177-S254 VanDerWaalsContact O-OG 3.11Å; V250-S254 WeakPolarHBondContact O-CB 3.25Å; V250-S254 PolarHBondContact O-N 3.46Å; V250-S254 VanDerWaalsContact O-N 3.13Å; V250-S254 PolarHBondContact O-OG 3.47Å; V251-S254 PolarHBondContact O-N 3.32Å; L252-S254 PolarHBondContact O-N 3.07Å; S254-N258 VanDerWaalsContact O-CB 3.32Å; S254-N258 WeakPolarHBondContact O-CB 3.5Å; S254-N258 PolarHBondContact O-N 3.35Å
255L97.3Very high96.7Very high0 Ų021.5 Ų21.50%012%0.117CC..Hα-helixtrans-63.2-46.5175.6-68.4180000111.2I24 P28 L60 F177 L180 W247 V251 N258 Y259I24-L255 HydrophobicContact CG1-CD1 4.17Å; P28-L255 HydrophobicContact CG-CD2 3.42Å; P28-L255 VanDerWaalsContact CG-CD2 3.42Å; L60-L255 HydrophobicContact CD1-CB 4.44Å; L60-L255 HydrophobicContact CD2-CD1 4.4Å; F177-L255 HydrophobicContact CE1-CD2 4.47Å; L180-L255 HydrophobicContact CD1-CD2 4.24Å; W247-L255 HydrophobicContact CH2-CD1 4.28Å; W247-L255 HydrophobicContact CZ3-CD1 4.24Å; V251-L255 HydrophobicContact CG1-CD1 3.79Å; V251-L255 HydrophobicContact CG1-CG 4.21Å; V251-L255 WeakPolarHBondContact O-CB 3.49Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.35Å; V251-L255 PolarHBondContact O-N 2.88Å; L255-N258 PolarHBondContact O-N 2.95Å; L255-Y259 HydrophobicContact CB-CD2 4.39Å; L255-Y259 HydrophobicContact CB-CE2 4.26Å; L255-Y259 WeakPolarHBondContact O-CD2 3.3Å; L255-Y259 PolarHBondContact O-N 2.91Å
256T97.3Very high96.6Very high23 Ų2318.6 Ų18.614%0.14110%0.102CC..Hα-helixtrans-60.4-50.4179.2-56.10000110.7F57 L252 P253 N258 Y259 F260F57-T256 HydrophobicContact CD2-CG2 3.73Å; F57-T256 HydrophobicContact CE2-CG2 3.92Å; L252-T256 WeakPolarHBondContact O-CB 3.49Å; L252-T256 PolarHBondContact O-N 3.49Å; L252-T256 PolarHBondContact O-OG1 3.44Å; P253-T256 PolarHBondContact O-N 3.32Å; T256-N258 VanDerWaalsContact C-N 3.29Å; T256-N258 PolarHBondContact O-N 3.2Å; T256-Y259 PolarHBondContact O-N 3.29Å; T256-F260 HydrophobicContact CG2-CD2 4Å; T256-F260 HydrophobicContact CG2-CE2 4.01Å; T256-F260 WeakPolarHBondContact O-CB 3.4Å; T256-F260 WeakPolarHBondContact O-CD2 3.48Å; T256-F260 PolarHBondContact O-N 2.86Å
257L97.8Very high96.5Very high49 Ų4920.7 Ų20.726%0.25711%0.113SC..Hα-helixtrans-59.4-41.2178.1-72.7171.9000111.7A181 G184 L185 I188 P253 G261A181-L257 HydrophobicContact CB-CD1 3.82Å; G184-L257 CarbonylContact C-O 3.05Å; G184-L257 WeakPolarHBondContact CA-O 3.44Å; L185-L257 HydrophobicContact CD1-CD2 4.34Å; I188-L257 HydrophobicContact CD1-CD2 3.79Å; I188-L257 WeakPolarHBondContact CD1-O 3.49Å; P253-L257 WeakPolarHBondContact O-CB 3.46Å; P253-L257 WeakPolarHBondContact O-CG 3.19Å; P253-L257 PolarHBondContact O-N 3.46Å; L257-G261 PolarHBondContact O-N 3.32Å
258N97.7Very high96.3Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-70.1-47.9-178.9-168.4-95.7000112.7P28 L180 S254 L255 T256 F260 G261 Q262P28-N258 VanDerWaalsContact CB-OD1 3.31Å; P28-N258 WeakPolarHBondContact CB-OD1 3.46Å; L180-N258 HydrophobicContact CB-CB 4.01Å; L180-N258 HydrophobicContact CD2-CB 4.4Å; L180-N258 PolarHBondContact O-ND2 3.35Å; S254-N258 VanDerWaalsContact O-CB 3.32Å; S254-N258 WeakPolarHBondContact O-CB 3.5Å; S254-N258 PolarHBondContact O-N 3.35Å; L255-N258 PolarHBondContact O-N 2.95Å; T256-N258 VanDerWaalsContact C-N 3.29Å; T256-N258 PolarHBondContact O-N 3.2Å; N258-F260 VanDerWaalsContact C-N 3.33Å; N258-F260 PolarHBondContact O-N 3.45Å; N258-G261 PolarHBondContact O-N 2.86Å; N258-G261 VanDerWaalsContact O-N 3.15Å; N258-Q262 WeakPolarHBondContact O-CG 3.5Å; N258-Q262 PolarHBondContact O-N 2.85Å; N258-Q262 PolarHBondContact OD1-NE2 3.12Å
259Y97.5Very high96Very high1 Ų127.1 Ų27.10%0.00414%0.144CC..Hα-helixtrans-58-47.1176.8-74.9-55.2000111.3S27 P28 T31 L53 I56 L60 L255 T256 G261 Q262 G263S27-Y259 WeakPolarHBondContact CB-OH 3.5Å; P28-Y259 HydrophobicContact CB-CE1 4.11Å; P28-Y259 HydrophobicContact CG-CE1 4.22Å; P28-Y259 HydrophobicContact CG-CE2 4.28Å; T31-Y259 HydrophobicContact CG2-CE1 4.08Å; T31-Y259 PolarHBondContact OG1-OH 3.13Å; L53-Y259 WeakPolarHBondContact CD2-O 3.42Å; I56-Y259 HydrophobicContact CD1-CD1 4.26Å; I56-Y259 HydrophobicContact CD1-CE1 4.48Å; I56-Y259 HydrophobicContact CG2-CD1 4.47Å; I56-Y259 HydrophobicContact CG2-CD2 3.56Å; I56-Y259 HydrophobicContact CG2-CE2 3.71Å; I56-Y259 HydrophobicContact CG2-CG 3.98Å; L60-Y259 HydrophobicContact CD1-CD2 4.35Å; L60-Y259 HydrophobicContact CD1-CE2 4.27Å; L255-Y259 HydrophobicContact CB-CD2 4.39Å; L255-Y259 HydrophobicContact CB-CE2 4.26Å; L255-Y259 WeakPolarHBondContact O-CD2 3.3Å; L255-Y259 PolarHBondContact O-N 2.91Å; T256-Y259 PolarHBondContact O-N 3.29Å; Y259-G261 VanDerWaalsContact C-N 3.32Å; Y259-G261 PolarHBondContact O-N 3.01Å; Y259-Q262 PolarHBondContact O-N 2.72Å; Y259-G263 PolarHBondContact O-N 3.32Å
260F97.5Very high95.7Very high4 Ų426.4 Ų26.42%0.01814%0.141CC..Hα-helixtrans-66.3-35.5177.7-79.8-117.9000111.6L53 F57 I188 V194 L195 A197 L198 T256 N258 G263 A264L53-F260 HydrophobicContact CB-CE2 4.34Å; L53-F260 HydrophobicContact CB-CZ 4.42Å; L53-F260 HydrophobicContact CD2-CD2 4.42Å; F57-F260 HydrophobicContact CB-CE2 4.08Å; F57-F260 HydrophobicContact CB-CZ 4.31Å; F57-F260 HydrophobicContact CD2-CE2 4.48Å; I188-F260 HydrophobicContact CD1-CB 3.75Å; I188-F260 HydrophobicContact CG1-CB 4.09Å; V194-F260 HydrophobicContact CG1-CB 4.26Å; V194-F260 HydrophobicContact CG1-CD1 4.35Å; V194-F260 HydrophobicContact CG2-CB 4.41Å; V194-F260 HydrophobicContact CG2-CD1 4.26Å; V194-F260 WeakPolarHBondContact CG2-O 3.46Å; V194-F260 WeakPolarHBondContact O-CD1 3.36Å; V194-F260 WeakPolarHBondContact O-CE1 3.45Å; L195-F260 HydrophobicContact CD2-CD1 4.24Å; A197-F260 HydrophobicContact CB-CE1 3.8Å; A197-F260 HydrophobicContact CB-CZ 4.07Å; L198-F260 HydrophobicContact CD2-CE1 3.94Å; L198-F260 HydrophobicContact CD2-CE2 4.37Å; L198-F260 HydrophobicContact CD2-CZ 3.6Å; L198-F260 HydrophobicContact CG-CE1 3.78Å; L198-F260 HydrophobicContact CG-CZ 3.91Å; T256-F260 HydrophobicContact CG2-CD2 4Å; T256-F260 HydrophobicContact CG2-CE2 4.01Å; T256-F260 WeakPolarHBondContact O-CB 3.4Å; T256-F260 WeakPolarHBondContact O-CD2 3.48Å; T256-F260 PolarHBondContact O-N 2.86Å; N258-F260 VanDerWaalsContact C-N 3.33Å; N258-F260 PolarHBondContact O-N 3.45Å; F260-G263 PolarHBondContact O-N 2.95Å; F260-A264 WeakPolarHBondContact O-CB 3.3Å; F260-A264 PolarHBondContact O-N 3.07Å
261G97.3Very high95.3Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-65.1-41.8173.800000113.6G184 S187 L257 N258 Y259 G263 A264 L265 L280G184-G261 WeakPolarHBondContact O-CA 3.42Å; S187-G261 WeakPolarHBondContact CB-O 3.37Å; S187-G261 PolarHBondContact OG-O 3.48Å; L257-G261 PolarHBondContact O-N 3.32Å; N258-G261 PolarHBondContact O-N 2.86Å; N258-G261 VanDerWaalsContact O-N 3.15Å; Y259-G261 VanDerWaalsContact C-N 3.32Å; Y259-G261 PolarHBondContact O-N 3.01Å; G261-G263 VanDerWaalsContact C-N 3.31Å; G261-A264 PolarHBondContact O-N 2.82Å; G261-L265 PolarHBondContact O-N 2.99Å; G261-L280 WeakPolarHBondContact O-CD1 3.35Å
262Q96.6Very high95Very high1 Ų132.1 Ų32.11%0.00517%0.166CC..Hα-helixtrans-63.2-39.8172.4-67.1-173.443.700110.9P28 L32 N258 Y259 L265 L266 P276 L280P28-Q262 PolarHBondContact O-NE2 3.12Å; L32-Q262 HydrophobicContact CD2-CB 3.42Å; L32-Q262 VanDerWaalsContact CD2-CB 3.42Å; N258-Q262 WeakPolarHBondContact O-CG 3.5Å; N258-Q262 PolarHBondContact O-N 2.85Å; N258-Q262 PolarHBondContact OD1-NE2 3.12Å; Y259-Q262 PolarHBondContact O-N 2.72Å; Q262-L265 WeakPolarHBondContact O-CB 3.39Å; Q262-L265 PolarHBondContact O-N 3.49Å; Q262-L266 WeakPolarHBondContact O-CG 3.36Å; Q262-L266 PolarHBondContact O-N 3.35Å; Q262-P276 HydrophobicContact CB-CB 4.29Å; Q262-P276 HydrophobicContact CG-CB 4.47Å; Q262-L280 HydrophobicContact CG-CD2 4.21Å
263G96Very high94.6Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-58.7-47.9171.400000113.4Y259 F260 G261 L265 L266 L267Y259-G263 PolarHBondContact O-N 3.32Å; F260-G263 PolarHBondContact O-N 2.95Å; G261-G263 VanDerWaalsContact C-N 3.31Å; G263-L265 VanDerWaalsContact C-N 3.26Å; G263-L265 PolarHBondContact O-N 2.86Å; G263-L266 PolarHBondContact O-N 3.25Å; G263-L266 VanDerWaalsContact O-N 3.14Å; G263-L267 VanDerWaalsContact O-CG 3.29Å; G263-L267 WeakPolarHBondContact O-CG 3.46Å; G263-L267 PolarHBondContact O-N 2.7Å
264A96Very high94Very high1 Ų138.1 Ų38.11%0.00819%0.187CC..Hα-helixtrans-58.7-37.8176.300000112.7S187 N191 V194 F260 G261 K268S187-A264 WeakPolarHBondContact O-CB 3.45Å; N191-A264 HydrophobicContact CB-CB 3.96Å; V194-A264 HydrophobicContact CB-CB 4.14Å; V194-A264 HydrophobicContact CG1-CB 3.91Å; F260-A264 WeakPolarHBondContact O-CB 3.3Å; F260-A264 PolarHBondContact O-N 3.07Å; G261-A264 PolarHBondContact O-N 2.82Å; A264-K268 PolarHBondContact O-N 2.86Å
265L95.1Very high93.5Very high29 Ų2938 Ų3815%0.15219%0.186CC..Hα-helixtrans-64.2-48.6174.1175.866.4000110.8S187 G261 Q262 G263 L267 K268 N269 A272 L279 L280S187-L265 PolarHBondContact OG-N 3.09Å; G261-L265 PolarHBondContact O-N 2.99Å; Q262-L265 WeakPolarHBondContact O-CB 3.39Å; Q262-L265 PolarHBondContact O-N 3.49Å; G263-L265 VanDerWaalsContact C-N 3.26Å; G263-L265 PolarHBondContact O-N 2.86Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 3.42Å; L265-K268 PolarHBondContact O-N 2.98Å; L265-N269 PolarHBondContact O-N 3.44Å; L265-A272 HydrophobicContact CD1-CB 4.48Å; L265-A272 HydrophobicContact CD2-CB 3.87Å; L265-A272 HydrophobicContact CG-CB 3.9Å; L265-L279 HydrophobicContact CD2-CB 4.06Å; L265-L280 HydrophobicContact CB-CD1 4.1Å; L265-L280 HydrophobicContact CD2-CD1 4.24Å
266L93.4Very high93.3Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-65.5-33.9-177.9-73.2171.3000113.2L32 L36 V44 V49 Q262 G263 K268 N269 A272 I273 P276L32-L266 HydrophobicContact CD2-CD1 3.68Å; L32-L266 HydrophobicContact CG-CD1 4.11Å; L36-L266 HydrophobicContact CD1-CD1 3.54Å; V44-L266 HydrophobicContact CG1-CB 3.77Å; V44-L266 HydrophobicContact CG1-CD2 4.18Å; V44-L266 HydrophobicContact CG1-CG 4.46Å; V49-L266 HydrophobicContact CG2-CB 4.49Å; Q262-L266 WeakPolarHBondContact O-CG 3.36Å; Q262-L266 PolarHBondContact O-N 3.35Å; G263-L266 PolarHBondContact O-N 3.25Å; G263-L266 VanDerWaalsContact O-N 3.14Å; L266-K268 PolarHBondContact O-N 3.22Å; L266-N269 CarbonylContact O-C 3.55Å; L266-A272 HydrophobicContact CD2-CB 4.2Å; L266-I273 HydrophobicContact CD1-CD1 4.43Å; L266-I273 HydrophobicContact CD2-CB 3.96Å; L266-I273 HydrophobicContact CD2-CD1 4.32Å; L266-P276 HydrophobicContact CD1-CB 4.12Å; L266-P276 HydrophobicContact CD2-CB 4.27Å; L266-P276 HydrophobicContact CG-CB 4.23Å
267L92.7Very high93.1Very high44 Ų4436.9 Ų36.923%0.2318%0.18CC..Hα-helixtrans-64-30.7172.6-68.6170.4000112.6R46 V49 F50 N191 V194 G263 L265R46-L267 HydrophobicContact CB-CD2 4.15Å; R46-L267 HydrophobicContact CG-CD2 3.98Å; V49-L267 HydrophobicContact CB-CD2 4.12Å; V49-L267 HydrophobicContact CG1-CD2 4.17Å; V49-L267 HydrophobicContact CG1-CG 4.14Å; V49-L267 HydrophobicContact CG2-CD2 4.39Å; F50-L267 HydrophobicContact CD2-CD1 4.34Å; F50-L267 HydrophobicContact CD2-CD2 4.26Å; F50-L267 HydrophobicContact CE2-CD1 3.5Å; F50-L267 HydrophobicContact CE2-CD2 3.84Å; F50-L267 HydrophobicContact CE2-CG 4.29Å; F50-L267 HydrophobicContact CZ-CD1 4.28Å; N191-L267 WeakPolarHBondContact ND2-CB 3.43Å; V194-L267 HydrophobicContact CB-CD1 4.2Å; V194-L267 HydrophobicContact CG2-CD1 4.3Å; G263-L267 VanDerWaalsContact O-CG 3.29Å; G263-L267 WeakPolarHBondContact O-CG 3.46Å; G263-L267 PolarHBondContact O-N 2.7Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 3.42Å
268K91.4Very high92.9Very high164 Ų16434.6 Ų34.671%0.71317%0.168SC*.Hα-helixtrans-89.4-39.7179.4-175.6179.2178.5-179.50112.4A264 L265 L266A264-K268 PolarHBondContact O-N 2.86Å; L265-K268 PolarHBondContact O-N 2.98Å; L266-K268 PolarHBondContact O-N 3.22Å
269N91.3Very high92.7Very high74 Ų7437.6 Ų37.640%0.39618%0.183SC..  trans-135.289.1-178.3-175.38.5000110.2L265 L266 E271 A272L265-N269 PolarHBondContact O-N 3.44Å; L266-N269 CarbonylContact O-C 3.55Å; N269-E271 PolarHBondContact O-N 3.05Å; N269-E271 VanDerWaalsContact O-N 3.16Å; N269-E271 PolarHBondContact OD1-N 3.32Å; N269-A272 HydrophobicContact CB-CB 4.49Å; N269-A272 VanDerWaalsContact O-CB 3.24Å; N269-A272 WeakPolarHBondContact O-CB 3.48Å; N269-A272 PolarHBondContact O-N 2.84Å
270P89.7Confident92.5Very high63 Ų6337.7 Ų37.741%0.40918%0.184SC..G310 helixtrans-51.8-32.9175.9-34.340.5000114.8V44 A272 I273V44-P270 HydrophobicContact CB-CB 3.98Å; V44-P270 HydrophobicContact CG1-CB 4.25Å; P270-A272 PolarHBondContact O-N 3Å; P270-I273 WeakPolarHBondContact O-CB 3.4Å; P270-I273 WeakPolarHBondContact O-CG2 3.15Å; P270-I273 PolarHBondContact O-N 3.31Å
271E88Confident92.3Very high146 Ų14637.7 Ų37.768%0.68219%0.185SC*.G310 helixtrans-67.6-16.7-179.4-60.4-171.6172.200113.2N269 I273 K274N269-E271 PolarHBondContact O-N 3.05Å; N269-E271 VanDerWaalsContact O-N 3.16Å; N269-E271 PolarHBondContact OD1-N 3.32Å; E271-I273 PolarHBondContact O-N 2.81Å; E271-K274 PolarHBondContact O-N 3.4Å
272A90.3Very high92Very high0 Ų039.2 Ų39.20%020%0.195CC..G310 helixtrans-65.3-6.8175.400000113.1L265 L266 N269 P270 K274 N275 P276 L279L265-A272 HydrophobicContact CD1-CB 4.48Å; L265-A272 HydrophobicContact CD2-CB 3.87Å; L265-A272 HydrophobicContact CG-CB 3.9Å; L266-A272 HydrophobicContact CD2-CB 4.2Å; N269-A272 HydrophobicContact CB-CB 4.49Å; N269-A272 VanDerWaalsContact O-CB 3.24Å; N269-A272 WeakPolarHBondContact O-CB 3.48Å; N269-A272 PolarHBondContact O-N 2.84Å; P270-A272 PolarHBondContact O-N 3Å; A272-K274 PolarHBondContact O-N 3.16Å; A272-K274 VanDerWaalsContact O-N 3.1Å; A272-N275 CarbonylContact O-C 3.45Å; A272-N275 VanDerWaalsContact O-C 3.27Å; A272-N275 PolarHBondContact O-N 3.39Å; A272-N275 VanDerWaalsContact O-N 3.11Å; A272-P276 WeakPolarHBondContact O-CA 3.25Å; A272-P276 WeakPolarHBondContact O-CD 3.32Å; A272-L279 HydrophobicContact CB-CB 4.4Å; A272-L279 HydrophobicContact CB-CD1 3.91Å
273I87.9Confident91.6Very high38 Ų3845.8 Ų45.820%0.19523%0.23CC..G310 helixtrans-58.2-21.4175.2-168.953.4000113.7R33 L36 V44 L266 P270 E271 N275 P276R33-I273 WeakPolarHBondContact CG-O 3.25Å; L36-I273 HydrophobicContact CB-CD1 3.37Å; L36-I273 HydrophobicContact CB-CG1 4.25Å; L36-I273 HydrophobicContact CD1-CD1 4.48Å; V44-I273 HydrophobicContact CG2-CB 3.88Å; V44-I273 HydrophobicContact CG2-CG1 4.09Å; V44-I273 HydrophobicContact CG2-CG2 4.2Å; L266-I273 HydrophobicContact CD1-CD1 4.43Å; L266-I273 HydrophobicContact CD2-CB 3.96Å; L266-I273 HydrophobicContact CD2-CD1 4.32Å; P270-I273 WeakPolarHBondContact O-CB 3.4Å; P270-I273 WeakPolarHBondContact O-CG2 3.15Å; P270-I273 PolarHBondContact O-N 3.31Å; E271-I273 PolarHBondContact O-N 2.81Å; I273-N275 PolarHBondContact O-N 2.91Å; I273-P276 WeakPolarHBondContact O-CD 3.26Å
274K85.2Confident91.5Very high157 Ų15755.7 Ų55.768%0.68327%0.267SS*.G310 helixtrans-52.8-45.6172.8-67.3-178.9-179.6178.90111.8R33 E271 A272R33-K274 VanDerWaalsContact CD-O 3.24Å; R33-K274 WeakPolarHBondContact CD-O 3.28Å; E271-K274 PolarHBondContact O-N 3.4Å; A272-K274 PolarHBondContact O-N 3.16Å; A272-K274 VanDerWaalsContact O-N 3.1Å
275N88.4Confident91.3Very high3 Ų356.2 Ų56.22%0.01627%0.272CS..  trans-158.178.1175.4-159-39.6000110.9I134 A272 I273 F277 F278 L279I134-N275 HydrophobicContact CD1-CB 3.57Å; I134-N275 HydrophobicContact CG1-CB 3.77Å; A272-N275 CarbonylContact O-C 3.45Å; A272-N275 VanDerWaalsContact O-C 3.27Å; A272-N275 PolarHBondContact O-N 3.39Å; A272-N275 VanDerWaalsContact O-N 3.11Å; I273-N275 PolarHBondContact O-N 2.91Å; N275-F277 PolarHBondContact O-N 3.03Å; N275-F277 VanDerWaalsContact O-N 3.15Å; N275-F278 WeakPolarHBondContact ND2-CD2 3.26Å; N275-F278 PolarHBondContact O-N 3.28Å; N275-F278 WeakPolarHBondContact OD1-CD2 3.33Å; N275-F278 PolarHBondContact OD1-N 3.4Å; N275-L279 WeakPolarHBondContact O-CB 3.35Å; N275-L279 VanDerWaalsContact O-CG 3.3Å; N275-L279 WeakPolarHBondContact O-CG 3.48Å; N275-L279 PolarHBondContact O-N 3.24Å
276P91.8Very high91.2Very high1 Ų155.7 Ų55.71%0.00627%0.269CS..THydrogen-bonded Turntrans-63.4-25-172.724.4-34.2000112.6R33 Q262 L266 A272 I273 L280R33-P276 HydrophobicContact CB-CG 4.02Å; Q262-P276 HydrophobicContact CB-CB 4.29Å; Q262-P276 HydrophobicContact CG-CB 4.47Å; L266-P276 HydrophobicContact CD1-CB 4.12Å; L266-P276 HydrophobicContact CD2-CB 4.27Å; L266-P276 HydrophobicContact CG-CB 4.23Å; A272-P276 WeakPolarHBondContact O-CA 3.25Å; A272-P276 WeakPolarHBondContact O-CD 3.32Å; I273-P276 WeakPolarHBondContact O-CD 3.26Å; P276-L280 PolarHBondContact O-N 2.77Å
277F94.4Very high91.1Very high0 Ų060.7 Ų60.70%030%0.295CS..THydrogen-bonded Turntrans-68.7-58.3176.3-179.2-92.2000112.2P28 L29 W176 L180 N275 L280 L289P28-F277 HydrophobicContact CB-CD2 4.38Å; L29-F277 HydrophobicContact CD2-CD1 3.49Å; L29-F277 VanDerWaalsContact CD2-CD1 3.49Å; L29-F277 HydrophobicContact CD2-CD2 4.38Å; L29-F277 HydrophobicContact CD2-CE1 3.47Å; L29-F277 VanDerWaalsContact CD2-CE1 3.47Å; L29-F277 HydrophobicContact CD2-CE2 4.38Å; L29-F277 HydrophobicContact CD2-CG 3.97Å; L29-F277 HydrophobicContact CD2-CZ 3.97Å; W176-F277 AromaticContact CH2-CE1 3.88Å; W176-F277 HydrophobicContact CH2-CE1 3.88Å; W176-F277 AromaticContact CH2-CE2 3.97Å; W176-F277 HydrophobicContact CH2-CE2 3.97Å; W176-F277 AromaticContact CH2-CZ 3.23Å; W176-F277 HydrophobicContact CH2-CZ 3.23Å; W176-F277 HydrophobicContact CZ2-CE2 4.35Å; W176-F277 HydrophobicContact CZ2-CZ 4.03Å; W176-F277 HydrophobicContact CZ3-CE1 4.3Å; W176-F277 AromaticContact CZ3-CZ 3.72Å; W176-F277 HydrophobicContact CZ3-CZ 3.72Å; L180-F277 HydrophobicContact CD2-CE2 3.4Å; L180-F277 VanDerWaalsContact CD2-CE2 3.4Å; L180-F277 HydrophobicContact CD2-CZ 3.87Å; N275-F277 PolarHBondContact O-N 3.03Å; N275-F277 VanDerWaalsContact O-N 3.15Å; F277-L280 WeakPolarHBondContact O-CB 3.27Å; F277-L280 PolarHBondContact O-N 3.03Å; F277-L289 HydrophobicContact CD1-CD2 4.34Å; F277-L289 HydrophobicContact CE1-CD1 3.95Å; F277-L289 HydrophobicContact CE1-CD2 3.75Å; F277-L289 HydrophobicContact CE1-CG 3.91Å; F277-L289 HydrophobicContact CZ-CD1 3.98Å; F277-L289 HydrophobicContact CZ-CD2 4.34Å; F277-L289 HydrophobicContact CZ-CG 4.44Å
278F93.4Very high91.2Very high1 Ų161.4 Ų61.40%0.00430%0.302CS..G310 helixtrans-69.2-36.2-176.5-80.8-77.4000111.7L29 I134 N275 L280 A281 L286 L289 L290 A293L29-F278 HydrophobicContact CD2-CE2 4.24Å; I134-F278 HydrophobicContact CG1-CB 4.37Å; N275-F278 WeakPolarHBondContact ND2-CD2 3.26Å; N275-F278 PolarHBondContact O-N 3.28Å; N275-F278 WeakPolarHBondContact OD1-CD2 3.33Å; N275-F278 PolarHBondContact OD1-N 3.4Å; F278-L280 PolarHBondContact O-N 3.04Å; F278-A281 PolarHBondContact O-N 2.93Å; F278-A281 VanDerWaalsContact O-N 3.15Å; F278-L286 HydrophobicContact CB-CD2 4.26Å; F278-L286 WeakPolarHBondContact O-CD2 3.45Å; F278-L289 HydrophobicContact CD1-CD2 3.94Å; F278-L289 HydrophobicContact CD1-CG 4.2Å; F278-L289 HydrophobicContact CE1-CD2 4.32Å; F278-L289 HydrophobicContact CE1-CG 4.09Å; F278-L290 HydrophobicContact CE1-CB 3.93Å; F278-L290 HydrophobicContact CE1-CG 4.47Å; F278-L290 HydrophobicContact CZ-CB 4.46Å; F278-A293 HydrophobicContact CZ-CB 4.21Å
279L93.3Very high91.4Very high63 Ų6353.9 Ų53.933%0.3327%0.27SS..G310 helixtrans-71-6.5177.4-64.3173.8000113.9I134 L265 A272 N275 A281I134-L279 HydrophobicContact CG2-CD2 3.98Å; L265-L279 HydrophobicContact CD2-CB 4.06Å; A272-L279 HydrophobicContact CB-CB 4.4Å; A272-L279 HydrophobicContact CB-CD1 3.91Å; N275-L279 WeakPolarHBondContact O-CB 3.35Å; N275-L279 VanDerWaalsContact O-CG 3.3Å; N275-L279 WeakPolarHBondContact O-CG 3.48Å; N275-L279 PolarHBondContact O-N 3.24Å; L279-A281 VanDerWaalsContact C-N 3.32Å
280L92.6Very high91.6Very high2 Ų251.3 Ų51.31%0.0126%0.256CS..G310 helixtrans-71.2-31.3170.7-160.366.4000111.9L183 R186 S187 G261 Q262 L265 P276 F277 F278L183-L280 HydrophobicContact CB-CD2 3.64Å; L183-L280 HydrophobicContact CB-CG 3.99Å; R186-L280 PolarHBondContact NH2-O 3.2Å; S187-L280 VanDerWaalsContact CB-CD1 3.42Å; G261-L280 WeakPolarHBondContact O-CD1 3.35Å; Q262-L280 HydrophobicContact CG-CD2 4.21Å; L265-L280 HydrophobicContact CB-CD1 4.1Å; L265-L280 HydrophobicContact CD2-CD1 4.24Å; P276-L280 PolarHBondContact O-N 2.77Å; F277-L280 WeakPolarHBondContact O-CB 3.27Å; F277-L280 PolarHBondContact O-N 3.03Å; F278-L280 PolarHBondContact O-N 3.04Å
281A93.2Very high91.8Very high5 Ų552.8 Ų52.84%0.04126%0.259CS..SBendtrans-79.8147.1179.500000111.7L183 F278 L279 A285 L286 L289L183-A281 HydrophobicContact CD1-CB 4.13Å; L183-A281 HydrophobicContact CD2-CB 4.09Å; F278-A281 PolarHBondContact O-N 2.93Å; F278-A281 VanDerWaalsContact O-N 3.15Å; L279-A281 VanDerWaalsContact C-N 3.32Å; A281-A285 HydrophobicContact CB-CB 4.34Å; A281-L286 HydrophobicContact CB-CD2 4.39Å; A281-L289 HydrophobicContact CB-CD2 3.7Å
282P91.3Very high92.2Very high32 Ų3247.7 Ų47.721%0.20824%0.236CC..  trans-65152.1167.730.4-34.9000110.4W284 A285P282-W284 HydrophobicContact CG-CD2 4.43Å; P282-W284 HydrophobicContact CG-CG 4.49Å; P282-W284 HydrophobicContact CG-CZ2 4.1Å; P282-W284 VanDerWaalsContact CG-NE1 3.27Å; P282-W284 PolarHBondContact O-N 3.31Å; P282-W284 VanDerWaalsContact O-N 3.09Å; P282-A285 HydrophobicContact CG-CB 3.85Å; P282-A285 WeakPolarHBondContact O-CA 3.41Å; P282-A285 WeakPolarHBondContact O-CB 3.35Å; P282-A285 PolarHBondContact O-N 3.07Å
283D88.7Confident92.4Very high139 Ų13947.7 Ų47.774%0.74324%0.236SC*.G310 helixtrans-52.7-39.1-172.9-56.9-30.7000113.7A285 L286D283-A285 PolarHBondContact O-N 3.08Å; D283-L286 WeakPolarHBondContact O-CG 3.41Å; D283-L286 PolarHBondContact O-N 3.02Å
284W92.6Very high92.8Very high207 Ų20746.7 Ų46.778%0.78423%0.234SC*.G310 helixtrans-63.7-24.8178.470.5-98.9000113.6P282P282-W284 HydrophobicContact CG-CD2 4.43Å; P282-W284 HydrophobicContact CG-CG 4.49Å; P282-W284 HydrophobicContact CG-CZ2 4.1Å; P282-W284 VanDerWaalsContact CG-NE1 3.27Å; P282-W284 PolarHBondContact O-N 3.31Å; P282-W284 VanDerWaalsContact O-N 3.09Å
285A92.9Very high93.2Very high13 Ų1342.8 Ų42.811%0.10722%0.22CC..G310 helixtrans-95.2-4.5-176.500000113.2A281 P282 D283 I287 P288 L289A281-A285 HydrophobicContact CB-CB 4.34Å; P282-A285 HydrophobicContact CG-CB 3.85Å; P282-A285 WeakPolarHBondContact O-CA 3.41Å; P282-A285 WeakPolarHBondContact O-CB 3.35Å; P282-A285 PolarHBondContact O-N 3.07Å; D283-A285 PolarHBondContact O-N 3.08Å; A285-I287 PolarHBondContact O-N 3.48Å; A285-P288 WeakPolarHBondContact O-CD 3.27Å; A285-L289 WeakPolarHBondContact O-CB 2.94Å; A285-L289 PolarHBondContact O-N 3.46Å
286L91.9Very high93.5Very high18 Ų1842.7 Ų42.79%0.09422%0.219CC..Hα-helixtrans-59.3-49.1-178-69.9173.2000112.5I134 V135 F278 A281 D283 L289 L290I134-L286 HydrophobicContact CG2-CD1 4.48Å; V135-L286 HydrophobicContact CG2-CB 4.07Å; F278-L286 HydrophobicContact CB-CD2 4.26Å; F278-L286 WeakPolarHBondContact O-CD2 3.45Å; A281-L286 HydrophobicContact CB-CD2 4.39Å; D283-L286 WeakPolarHBondContact O-CG 3.41Å; D283-L286 PolarHBondContact O-N 3.02Å; L286-L289 PolarHBondContact O-N 3.46Å; L286-L290 WeakPolarHBondContact O-CB 3.3Å; L286-L290 PolarHBondContact O-N 3.44Å
287I92.7Very high93.6Very high104 Ų10442.6 Ų42.653%0.53322%0.219SC..Hα-helixtrans-65.3-49.5179.7-61.9170.9000111.2V135 A285 L289 L290 I291V135-I287 HydrophobicContact CG1-CD1 4.42Å; V135-I287 HydrophobicContact CG1-CG1 4.14Å; V135-I287 HydrophobicContact CG2-CG1 4.38Å; A285-I287 PolarHBondContact O-N 3.48Å; I287-L289 VanDerWaalsContact C-N 3.31Å; I287-L289 PolarHBondContact O-N 3.42Å; I287-L290 WeakPolarHBondContact O-CB 3.21Å; I287-L290 PolarHBondContact O-N 2.96Å; I287-I291 HydrophobicContact CG2-CD1 4.2Å; I287-I291 WeakPolarHBondContact O-CG1 3.24Å; I287-I291 PolarHBondContact O-N 2.88Å; I287-I291 VanDerWaalsContact O-N 3.08Å
288P94.8Very high93.6Very high60 Ų6044 Ų4439%0.3923%0.228SC..Hα-helixtrans-54.6-43.4172-28.334000113.8A285 L290 I291 I292A285-P288 WeakPolarHBondContact O-CD 3.27Å; P288-L290 VanDerWaalsContact C-N 3.35Å; P288-L290 PolarHBondContact O-N 3.28Å; P288-I291 PolarHBondContact O-N 3.3Å; P288-I292 WeakPolarHBondContact O-CG1 3.47Å; P288-I292 PolarHBondContact O-N 2.94Å
289L95.6Very high93.4Very high6 Ų644.1 Ų44.13%0.03123%0.228CC..Hα-helixtrans-64-40.7178.8179.862000111.5W176 I179 L183 F277 F278 A281 A285 L286 I287 I292 A293W176-L289 HydrophobicContact CZ3-CD1 4.13Å; I179-L289 HydrophobicContact CG2-CD1 3.75Å; L183-L289 HydrophobicContact CD1-CD1 4.18Å; L183-L289 HydrophobicContact CD1-CD2 3.94Å; F277-L289 HydrophobicContact CD1-CD2 4.34Å; F277-L289 HydrophobicContact CE1-CD1 3.95Å; F277-L289 HydrophobicContact CE1-CD2 3.75Å; F277-L289 HydrophobicContact CE1-CG 3.91Å; F277-L289 HydrophobicContact CZ-CD1 3.98Å; F277-L289 HydrophobicContact CZ-CD2 4.34Å; F277-L289 HydrophobicContact CZ-CG 4.44Å; F278-L289 HydrophobicContact CD1-CD2 3.94Å; F278-L289 HydrophobicContact CD1-CG 4.2Å; F278-L289 HydrophobicContact CE1-CD2 4.32Å; F278-L289 HydrophobicContact CE1-CG 4.09Å; A281-L289 HydrophobicContact CB-CD2 3.7Å; A285-L289 WeakPolarHBondContact O-CB 2.94Å; A285-L289 PolarHBondContact O-N 3.46Å; L286-L289 PolarHBondContact O-N 3.46Å; I287-L289 VanDerWaalsContact C-N 3.31Å; I287-L289 PolarHBondContact O-N 3.42Å; L289-I292 PolarHBondContact O-N 3.01Å; L289-A293 VanDerWaalsContact O-CB 3.25Å; L289-A293 WeakPolarHBondContact O-CB 3.42Å; L289-A293 PolarHBondContact O-N 3.44Å
290L94.3Very high93.3Very high20 Ų2041.1 Ų41.111%0.10521%0.213CC..Hα-helixtrans-60.7-45.2176.5-174.3156000111.5G131 L132 F278 L286 I287 P288 I292 A293 A294G131-L290 VanDerWaalsContact C-CD1 3.46Å; L132-L290 HydrophobicContact CB-CD1 4.38Å; L132-L290 HydrophobicContact CD2-CD1 3.56Å; L132-L290 HydrophobicContact CD2-CD2 4.31Å; L132-L290 HydrophobicContact CG-CD1 3.8Å; F278-L290 HydrophobicContact CE1-CB 3.93Å; F278-L290 HydrophobicContact CE1-CG 4.47Å; F278-L290 HydrophobicContact CZ-CB 4.46Å; L286-L290 WeakPolarHBondContact O-CB 3.3Å; L286-L290 PolarHBondContact O-N 3.44Å; I287-L290 WeakPolarHBondContact O-CB 3.21Å; I287-L290 PolarHBondContact O-N 2.96Å; P288-L290 VanDerWaalsContact C-N 3.35Å; P288-L290 PolarHBondContact O-N 3.28Å; L290-I292 PolarHBondContact O-N 3.33Å; L290-A293 PolarHBondContact O-N 3.39Å; L290-A294 WeakPolarHBondContact O-CB 3.37Å; L290-A294 PolarHBondContact O-N 3.16Å
291I94.7Very high93.2Very high94 Ų9441 Ų4148%0.48221%0.212SC..Hα-helixtrans-61.8-46.2177-65.4168000110.3I287 P288 A294 L295I287-I291 HydrophobicContact CG2-CD1 4.2Å; I287-I291 WeakPolarHBondContact O-CG1 3.24Å; I287-I291 PolarHBondContact O-N 2.88Å; I287-I291 VanDerWaalsContact O-N 3.08Å; P288-I291 PolarHBondContact O-N 3.3Å; I291-A294 PolarHBondContact O-N 3Å; I291-L295 HydrophobicContact CG2-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.21Å; I291-L295 PolarHBondContact O-N 3.32Å
292I95.5Very high93Very high38 Ų3841.1 Ų41.120%0.19521%0.212CC..Hα-helixtrans-68.1-37.7-179.8-62.2173.6000110.9T175 W176 I179 P288 L289 L290 L295 A296T175-I292 HydrophobicContact CG2-CD1 4.38Å; W176-I292 HydrophobicContact CB-CG2 4.32Å; W176-I292 HydrophobicContact CE3-CG2 3.84Å; I179-I292 HydrophobicContact CD1-CD1 3.32Å; I179-I292 HydrophobicContact CD1-CG2 4.16Å; P288-I292 WeakPolarHBondContact O-CG1 3.47Å; P288-I292 PolarHBondContact O-N 2.94Å; L289-I292 PolarHBondContact O-N 3.01Å; L290-I292 PolarHBondContact O-N 3.33Å; I292-L295 PolarHBondContact O-N 2.96Å; I292-A296 WeakPolarHBondContact O-CB 3.34Å; I292-A296 PolarHBondContact O-N 3.49Å
293A96Very high92.6Very high0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-62.8-43.2174.200000111.6L29 A128 W176 F278 L289 L290 L295 A296 T297L29-A293 HydrophobicContact CD2-CB 4.14Å; A128-A293 HydrophobicContact CB-CB 3.98Å; W176-A293 HydrophobicContact CH2-CB 3.86Å; W176-A293 HydrophobicContact CZ3-CB 3.68Å; F278-A293 HydrophobicContact CZ-CB 4.21Å; L289-A293 VanDerWaalsContact O-CB 3.25Å; L289-A293 WeakPolarHBondContact O-CB 3.42Å; L289-A293 PolarHBondContact O-N 3.44Å; L290-A293 PolarHBondContact O-N 3.39Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.3Å; A293-A296 PolarHBondContact O-N 2.87Å; A293-T297 WeakPolarHBondContact O-CB 3.15Å; A293-T297 WeakPolarHBondContact O-CG2 3.49Å; A293-T297 PolarHBondContact O-N 3.28Å; A293-T297 PolarHBondContact O-OG1 3.1Å
294A94.8Very high92.6Very high18 Ų1833.1 Ų33.115%0.14917%0.167CC..Hα-helixtrans-60.9-42.2174.200000111.4I129 L290 I291 T297 V298I129-A294 HydrophobicContact CD1-CB 4.5Å; L290-A294 WeakPolarHBondContact O-CB 3.37Å; L290-A294 PolarHBondContact O-N 3.16Å; I291-A294 PolarHBondContact O-N 3Å; A294-T297 WeakPolarHBondContact CA-OG1 3.4Å; A294-T297 PolarHBondContact O-N 3.16Å; A294-T297 PolarHBondContact O-OG1 2.97Å; A294-V298 VanDerWaalsContact O-CG2 3.24Å; A294-V298 WeakPolarHBondContact O-CG2 3.36Å; A294-V298 PolarHBondContact O-N 3.27Å
295L94.3Very high92.4Very high75 Ų7523.2 Ų23.239%0.39313%0.13SC..Hα-helixtrans-66.1-42.1175.4-67.6172000112.4I172 I291 I292 A293 T297 V298 I299I172-L295 HydrophobicContact CD1-CD1 4.48Å; I172-L295 HydrophobicContact CG2-CB 3.87Å; I291-L295 HydrophobicContact CG2-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.21Å; I291-L295 PolarHBondContact O-N 3.32Å; I292-L295 PolarHBondContact O-N 2.96Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.3Å; L295-T297 VanDerWaalsContact C-N 3.34Å; L295-T297 PolarHBondContact O-N 3.1Å; L295-V298 WeakPolarHBondContact O-CB 3.17Å; L295-V298 PolarHBondContact O-N 3.37Å; L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.03Å; L295-I299 PolarHBondContact O-N 3.1Å
296A94.9Very high91.9Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-63.5-38.9177.500000111.9T26 M173 W176 I292 A293 I299 A300T26-A296 HydrophobicContact CG2-CB 4.08Å; M173-A296 HydrophobicContact SD-CB 4.03Å; W176-A296 HydrophobicContact CB-CB 4.34Å; W176-A296 HydrophobicContact CD2-CB 3.67Å; W176-A296 HydrophobicContact CE3-CB 4.05Å; W176-A296 HydrophobicContact CG-CB 3.83Å; W176-A296 HydrophobicContact CZ2-CB 4.46Å; I292-A296 WeakPolarHBondContact O-CB 3.34Å; I292-A296 PolarHBondContact O-N 3.49Å; A293-A296 PolarHBondContact O-N 2.87Å; A296-I299 PolarHBondContact O-N 3.46Å; A296-A300 WeakPolarHBondContact O-CB 3.31Å; A296-A300 PolarHBondContact O-N 3.36Å
297T94.6Very high91.5Very high0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-74.2-31.1178.855.30000113.1T26 L29 S124 A128 A293 A294 L295 I299 A300 S301T26-T297 HydrophobicContact CG2-CG2 3.82Å; L29-T297 HydrophobicContact CD1-CG2 3.4Å; L29-T297 VanDerWaalsContact CD1-CG2 3.4Å; S124-T297 WeakPolarHBondContact O-CG2 3.29Å; A128-T297 HydrophobicContact CB-CG2 3.72Å; A293-T297 WeakPolarHBondContact O-CB 3.15Å; A293-T297 WeakPolarHBondContact O-CG2 3.49Å; A293-T297 PolarHBondContact O-N 3.28Å; A293-T297 PolarHBondContact O-OG1 3.1Å; A294-T297 WeakPolarHBondContact CA-OG1 3.4Å; A294-T297 PolarHBondContact O-N 3.16Å; A294-T297 PolarHBondContact O-OG1 2.97Å; L295-T297 VanDerWaalsContact C-N 3.34Å; L295-T297 PolarHBondContact O-N 3.1Å; T297-I299 VanDerWaalsContact C-N 3.34Å; T297-A300 PolarHBondContact O-N 3.44Å; T297-S301 WeakPolarHBondContact O-CB 3.44Å; T297-S301 PolarHBondContact O-N 3.18Å; T297-S301 PolarHBondContact O-OG 3.39Å
298V93Very high91.4Very high30 Ų3018 Ų1818%0.18210%0.103CC..Hα-helixtrans-60.1-46.1165.8168.60000110.3V150 L154 A294 L295 S301 Q302V150-V298 HydrophobicContact CG1-CG2 3.37Å; L154-V298 HydrophobicContact CD1-CG1 3.49Å; L154-V298 VanDerWaalsContact CD1-CG1 3.49Å; L154-V298 HydrophobicContact CD2-CG1 4.26Å; L154-V298 HydrophobicContact CG-CG1 4.36Å; A294-V298 VanDerWaalsContact O-CG2 3.24Å; A294-V298 WeakPolarHBondContact O-CG2 3.36Å; A294-V298 PolarHBondContact O-N 3.27Å; L295-V298 WeakPolarHBondContact O-CB 3.17Å; L295-V298 PolarHBondContact O-N 3.37Å; V298-S301 WeakPolarHBondContact O-CB 3.34Å; V298-S301 PolarHBondContact O-N 3.24Å; V298-Q302 WeakPolarHBondContact O-CG 3.2Å; V298-Q302 PolarHBondContact O-N 3.37Å
299I90.1Very high91Very high3 Ų315.3 Ų15.32%0.0159%0.085CC..Hα-helixtrans-66.7-41.2178.7-64.8166.5000111.8G18 F169 I172 M173 L295 A296 T297 S301 Q302 A303G18-I299 WeakPolarHBondContact O-CG2 3.48Å; F169-I299 HydrophobicContact CB-CD1 4.15Å; F169-I299 HydrophobicContact CB-CG1 4.29Å; F169-I299 HydrophobicContact CB-CG2 4.19Å; F169-I299 HydrophobicContact CD1-CD1 3.91Å; F169-I299 HydrophobicContact CD1-CG1 3.55Å; F169-I299 HydrophobicContact CD2-CG2 4.41Å; F169-I299 HydrophobicContact CE1-CG1 3.92Å; F169-I299 HydrophobicContact CG-CD1 4.27Å; F169-I299 HydrophobicContact CG-CG1 3.94Å; F169-I299 HydrophobicContact CG-CG2 4.21Å; I172-I299 HydrophobicContact CB-CD1 3.75Å; I172-I299 HydrophobicContact CD1-CD1 4.32Å; I172-I299 HydrophobicContact CG2-CD1 3.53Å; M173-I299 HydrophobicContact CG-CB 4.33Å; M173-I299 HydrophobicContact CG-CD1 3.94Å; M173-I299 HydrophobicContact CG-CG2 3.69Å; M173-I299 HydrophobicContact SD-CB 4.12Å; M173-I299 HydrophobicContact SD-CD1 4.2Å; M173-I299 HydrophobicContact SD-CG2 3.97Å; L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.03Å; L295-I299 PolarHBondContact O-N 3.1Å; A296-I299 PolarHBondContact O-N 3.46Å; T297-I299 VanDerWaalsContact C-N 3.34Å; I299-S301 VanDerWaalsContact C-N 3.31Å; I299-S301 PolarHBondContact O-N 3.35Å; I299-Q302 VanDerWaalsContact O-CB 3.31Å; I299-Q302 WeakPolarHBondContact O-CB 3.27Å; I299-Q302 PolarHBondContact O-N 2.97Å; I299-Q302 VanDerWaalsContact O-N 3.07Å; I299-A303 PolarHBondContact O-N 3.41Å; I299-A303 VanDerWaalsContact O-N 3.08Å
300A90.4Very high90.4Very high0 Ų015.2 Ų15.20%09%0.085CC..Hα-helixtrans-55.7-47.3172.300000111.8G22 T26 A296 T297 Q302 A303 V304G22-A300 VanDerWaalsContact C-CB 3.43Å; G22-A300 WeakPolarHBondContact O-CB 3.04Å; T26-A300 HydrophobicContact CG2-CB 3.79Å; A296-A300 WeakPolarHBondContact O-CB 3.31Å; A296-A300 PolarHBondContact O-N 3.36Å; T297-A300 PolarHBondContact O-N 3.44Å; A300-Q302 PolarHBondContact O-N 3.12Å; A300-A303 WeakPolarHBondContact O-CB 3.42Å; A300-A303 PolarHBondContact O-N 2.93Å; A300-V304 PolarHBondContact O-N 3.32Å
301S91.8Very high90.1Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-59.9-36.2176.1-57.80000111.8P121 T297 V298 I299 V304 I305P121-S301 WeakPolarHBondContact CA-OG 3.25Å; P121-S301 WeakPolarHBondContact CB-OG 3.42Å; T297-S301 WeakPolarHBondContact O-CB 3.44Å; T297-S301 PolarHBondContact O-N 3.18Å; T297-S301 PolarHBondContact O-OG 3.39Å; V298-S301 WeakPolarHBondContact O-CB 3.34Å; V298-S301 PolarHBondContact O-N 3.24Å; I299-S301 VanDerWaalsContact C-N 3.31Å; I299-S301 PolarHBondContact O-N 3.35Å; S301-V304 PolarHBondContact O-N 2.92Å; S301-I305 WeakPolarHBondContact O-CB 3.47Å; S301-I305 WeakPolarHBondContact O-CD1 3.38Å; S301-I305 WeakPolarHBondContact O-CG1 3.48Å; S301-I305 PolarHBondContact O-N 2.7Å
302Q88.2Confident89.9Confident7 Ų710.1 Ų10.13%0.0336%0.059CC..Hα-helixtrans-65.6-40.5175.8-68.6-65.2-84.800114.2L154 Q158 F169 V298 I299 A300 V304 I305 S306L154-Q302 HydrophobicContact CD1-CG 3.62Å; L154-Q302 HydrophobicContact CD2-CG 4.41Å; L154-Q302 HydrophobicContact CG-CG 4.43Å; Q158-Q302 VanDerWaalsContact CD-NE2 3.32Å; F169-Q302 HydrophobicContact CE2-CB 4.07Å; F169-Q302 HydrophobicContact CE2-CG 3.98Å; F169-Q302 HydrophobicContact CZ-CB 4.35Å; F169-Q302 HydrophobicContact CZ-CG 3.76Å; V298-Q302 WeakPolarHBondContact O-CG 3.2Å; V298-Q302 PolarHBondContact O-N 3.37Å; I299-Q302 VanDerWaalsContact O-CB 3.31Å; I299-Q302 WeakPolarHBondContact O-CB 3.27Å; I299-Q302 PolarHBondContact O-N 2.97Å; I299-Q302 VanDerWaalsContact O-N 3.07Å; A300-Q302 PolarHBondContact O-N 3.12Å; Q302-V304 VanDerWaalsContact C-N 3.28Å; Q302-V304 PolarHBondContact O-N 3.4Å; Q302-I305 PolarHBondContact O-N 3.25Å; Q302-S306 WeakPolarHBondContact O-CB 3.19Å; Q302-S306 PolarHBondContact O-N 3.47Å; Q302-S306 PolarHBondContact O-OG 3.49Å
303A83.5Confident89.4Confident1 Ų18.4 Ų8.41%0.0085%0.05CC..Hα-helixtrans-57.1-47.7176.900000110.3V19 I299 A300 S306 G307V19-A303 WeakPolarHBondContact O-CB 3.48Å; I299-A303 PolarHBondContact O-N 3.41Å; I299-A303 VanDerWaalsContact O-N 3.08Å; A300-A303 WeakPolarHBondContact O-CB 3.42Å; A300-A303 PolarHBondContact O-N 2.93Å; A303-S306 WeakPolarHBondContact O-CB 3.44Å; A303-S306 PolarHBondContact O-N 2.73Å; A303-G307 PolarHBondContact O-N 2.83Å
304V87.8Confident88.7Confident1 Ų19.2 Ų9.21%0.0065%0.053CC..Hα-helixtrans-71.2-39.8-177-177.90000112.2D23 V117 T120 A300 S301 Q302 S306 G307 V308D23-V304 HydrophobicContact CB-CG2 4.15Å; D23-V304 WeakPolarHBondContact OD2-CG2 3.43Å; V117-V304 HydrophobicContact CB-CG1 3.58Å; V117-V304 HydrophobicContact CG1-CG1 3.6Å; V117-V304 HydrophobicContact CG2-CG1 3.27Å; T120-V304 HydrophobicContact CG2-CG2 3.81Å; A300-V304 PolarHBondContact O-N 3.32Å; S301-V304 PolarHBondContact O-N 2.92Å; Q302-V304 VanDerWaalsContact C-N 3.28Å; Q302-V304 PolarHBondContact O-N 3.4Å; V304-S306 VanDerWaalsContact C-N 3.32Å; V304-S306 PolarHBondContact O-N 2.93Å; V304-G307 PolarHBondContact O-N 3.35Å; V304-V308 PolarHBondContact O-N 2.82Å
305I88.5Confident88.5Confident0 Ų08.3 Ų8.30%05%0.046CC..Hα-helixtrans-58.7-45.3172.3-69.9162.9000110.5L154 F155 S301 Q302 V308 F309 L346L154-I305 HydrophobicContact CD2-CD1 4.19Å; F155-I305 HydrophobicContact CD1-CD1 4.36Å; F155-I305 HydrophobicContact CE1-CD1 3.81Å; F155-I305 HydrophobicContact CE1-CG1 4.13Å; F155-I305 HydrophobicContact CE2-CD1 4.18Å; F155-I305 HydrophobicContact CZ-CD1 3.7Å; F155-I305 HydrophobicContact CZ-CG1 4.1Å; S301-I305 WeakPolarHBondContact O-CB 3.47Å; S301-I305 WeakPolarHBondContact O-CD1 3.38Å; S301-I305 WeakPolarHBondContact O-CG1 3.48Å; S301-I305 PolarHBondContact O-N 2.7Å; Q302-I305 PolarHBondContact O-N 3.25Å; I305-V308 PolarHBondContact O-N 3.42Å; I305-F309 HydrophobicContact CG2-CD2 4.12Å; I305-F309 HydrophobicContact CG2-CE1 4.27Å; I305-F309 HydrophobicContact CG2-CE2 3.44Å; I305-F309 VanDerWaalsContact CG2-CE2 3.44Å; I305-F309 HydrophobicContact CG2-CZ 3.52Å; I305-F309 WeakPolarHBondContact O-CG 3.37Å; I305-F309 PolarHBondContact O-N 3.36Å; I305-F309 VanDerWaalsContact O-N 3.07Å; I305-L346 HydrophobicContact CG1-CD2 3.81Å
306S82.6Confident88.2Confident21 Ų215.9 Ų5.915%0.1473%0.034CC..Hα-helixtrans-63-43.1177.3-57.50000111.6Q302 A303 V304 V308 F309 S310Q302-S306 WeakPolarHBondContact O-CB 3.19Å; Q302-S306 PolarHBondContact O-N 3.47Å; Q302-S306 PolarHBondContact O-OG 3.49Å; A303-S306 WeakPolarHBondContact O-CB 3.44Å; A303-S306 PolarHBondContact O-N 2.73Å; V304-S306 VanDerWaalsContact C-N 3.32Å; V304-S306 PolarHBondContact O-N 2.93Å; S306-V308 VanDerWaalsContact C-N 3.32Å; S306-V308 PolarHBondContact O-N 3.13Å; S306-F309 PolarHBondContact O-N 3.45Å; S306-F309 VanDerWaalsContact O-N 3.17Å; S306-S310 PolarHBondContact O-N 3.08Å
307G83.6Confident87.4Confident0 Ų010.1 Ų10.10%05%0.05CC..Hα-helixtrans-57.3-42.7174.400000112.6A303 V304 S310 L311A303-G307 PolarHBondContact O-N 2.83Å; V304-G307 PolarHBondContact O-N 3.35Å; G307-S310 PolarHBondContact O-N 3.47Å; G307-L311 WeakPolarHBondContact O-CB 3.43Å; G307-L311 PolarHBondContact O-N 3.26Å
308V89.5Confident86.7Confident3 Ų312.5 Ų12.52%0.0186%0.063CC..Hα-helixtrans-67.5-36.6176.4127.30000112.7F113 Y114 V117 V304 I305 S306 L311 T312 V342 L346F113-V308 HydrophobicContact CD1-CG2 4.36Å; F113-V308 HydrophobicContact CE1-CG2 4.32Å; Y114-V308 HydrophobicContact CD1-CG2 3.8Å; Y114-V308 HydrophobicContact CE1-CG2 4.01Å; V117-V308 HydrophobicContact CB-CG2 3.78Å; V117-V308 HydrophobicContact CG1-CB 3.9Å; V117-V308 HydrophobicContact CG1-CG1 4.49Å; V117-V308 HydrophobicContact CG1-CG2 3.57Å; V117-V308 HydrophobicContact CG2-CB 4.28Å; V117-V308 HydrophobicContact CG2-CG2 3.54Å; V304-V308 PolarHBondContact O-N 2.82Å; I305-V308 PolarHBondContact O-N 3.42Å; S306-V308 VanDerWaalsContact C-N 3.32Å; S306-V308 PolarHBondContact O-N 3.13Å; V308-L311 PolarHBondContact O-N 2.77Å; V308-T312 WeakPolarHBondContact O-CB 3.37Å; V308-T312 PolarHBondContact O-N 3.22Å; V308-T312 PolarHBondContact O-OG1 3.26Å; V308-V342 HydrophobicContact CG1-CG1 3.36Å; V308-L346 HydrophobicContact CG1-CD2 4.44Å
309F87.3Confident86.4Confident5 Ų511.2 Ų11.22%0.0226%0.056CC..Hα-helixtrans-65-41.5173.8-64.1-27000111.5I305 S306 T312 R313 I337 Y338 I339 V342 N343I305-F309 HydrophobicContact CG2-CD2 4.12Å; I305-F309 HydrophobicContact CG2-CE1 4.27Å; I305-F309 HydrophobicContact CG2-CE2 3.44Å; I305-F309 VanDerWaalsContact CG2-CE2 3.44Å; I305-F309 HydrophobicContact CG2-CZ 3.52Å; I305-F309 WeakPolarHBondContact O-CG 3.37Å; I305-F309 PolarHBondContact O-N 3.36Å; I305-F309 VanDerWaalsContact O-N 3.07Å; S306-F309 PolarHBondContact O-N 3.45Å; S306-F309 VanDerWaalsContact O-N 3.17Å; F309-T312 PolarHBondContact O-N 3.32Å; F309-R313 WeakPolarHBondContact O-CB 3.42Å; F309-R313 PolarHBondContact O-N 3.08Å; F309-I337 HydrophobicContact CB-CG2 4.4Å; F309-I337 WeakPolarHBondContact CD2-O 3.31Å; F309-Y338 HydrophobicContact CE2-CD2 4.21Å; F309-Y338 HydrophobicContact CZ-CD2 4.15Å; F309-I339 HydrophobicContact CB-CD1 4.25Å; F309-I339 HydrophobicContact CB-CG1 4.34Å; F309-I339 HydrophobicContact CD1-CB 3.85Å; F309-I339 HydrophobicContact CD1-CD1 4.33Å; F309-I339 HydrophobicContact CD1-CG1 4.04Å; F309-I339 HydrophobicContact CE1-CB 4.11Å; F309-I339 HydrophobicContact CG-CG1 4.32Å; F309-V342 HydrophobicContact CD1-CB 4.32Å; F309-V342 HydrophobicContact CD1-CG1 4.09Å; F309-V342 HydrophobicContact CE1-CB 4.13Å; F309-V342 HydrophobicContact CE1-CG1 4.04Å; F309-N343 HydrophobicContact CE1-CB 4.18Å; F309-N343 HydrophobicContact CZ-CB 3.91Å
310S82.7Confident86.4Confident3 Ų312.2 Ų12.22%0.0216%0.059CC..Hα-helixtrans-61.7-48.1174.7-1700000111.3S306 G307 T312 R313 Q314S306-S310 PolarHBondContact O-N 3.08Å; G307-S310 PolarHBondContact O-N 3.47Å; S310-T312 VanDerWaalsContact C-N 3.35Å; S310-T312 PolarHBondContact O-N 3.23Å; S310-R313 WeakPolarHBondContact O-CB 3.36Å; S310-R313 PolarHBondContact O-N 2.88Å; S310-Q314 WeakPolarHBondContact O-CG 3.48Å; S310-Q314 PolarHBondContact O-N 3.13Å
311L87.4Confident86.5Confident8 Ų812.7 Ų12.74%0.0426%0.062CC..Hα-helixtrans-61.1-41.9177.2-172.271.5000112.2I83 L84 G110 F113 Y114 G307 V308 Q314 A315I83-L311 HydrophobicContact CG2-CD1 4.37Å; L84-L311 HydrophobicContact CB-CD1 4.3Å; L84-L311 HydrophobicContact CD1-CD1 3.52Å; L84-L311 HydrophobicContact CD1-CG 4.08Å; L84-L311 HydrophobicContact CG-CD1 3.59Å; G110-L311 WeakPolarHBondContact O-CD2 3.42Å; F113-L311 HydrophobicContact CB-CD2 4.04Å; F113-L311 HydrophobicContact CD1-CD2 3.55Å; F113-L311 HydrophobicContact CE1-CD2 4.43Å; F113-L311 HydrophobicContact CG-CD2 4.15Å; Y114-L311 HydrophobicContact CD2-CD2 3.69Å; Y114-L311 HydrophobicContact CE2-CD2 3.35Å; Y114-L311 HydrophobicContact CE2-CG 3.93Å; Y114-L311 HydrophobicContact CG-CD2 4.46Å; G307-L311 WeakPolarHBondContact O-CB 3.43Å; G307-L311 PolarHBondContact O-N 3.26Å; V308-L311 PolarHBondContact O-N 2.77Å; L311-Q314 PolarHBondContact O-N 3.18Å; L311-A315 WeakPolarHBondContact O-CB 3.41Å; L311-A315 PolarHBondContact O-N 3.18Å
312T91Very high86.3Confident0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-61.4-48.4175.9-56.90000110.6Y114 V308 F309 S310 Q314 A315 V316 L321 M324 I339 V342Y114-T312 WeakPolarHBondContact OH-CA 3.43Å; Y114-T312 PolarHBondContact OH-N 2.81Å; Y114-T312 PolarHBondContact OH-OG1 3.36Å; V308-T312 WeakPolarHBondContact O-CB 3.37Å; V308-T312 PolarHBondContact O-N 3.22Å; V308-T312 PolarHBondContact O-OG1 3.26Å; F309-T312 PolarHBondContact O-N 3.32Å; S310-T312 VanDerWaalsContact C-N 3.35Å; S310-T312 PolarHBondContact O-N 3.23Å; T312-Q314 VanDerWaalsContact C-N 3.32Å; T312-Q314 PolarHBondContact O-N 3.12Å; T312-A315 PolarHBondContact O-N 3.28Å; T312-V316 HydrophobicContact CG2-CG2 4.4Å; T312-V316 WeakPolarHBondContact O-CG2 3.38Å; T312-V316 PolarHBondContact O-N 3.26Å; T312-L321 HydrophobicContact CG2-CD1 4.03Å; T312-M324 HydrophobicContact CG2-CE 4.45Å; T312-M324 HydrophobicContact CG2-SD 3.55Å; T312-M324 VanDerWaalsContact CG2-SD 3.55Å; T312-I339 HydrophobicContact CG2-CD1 3.65Å; T312-V342 HydrophobicContact CG2-CG2 3.93Å
313R84.4Confident86.2Confident2 Ų214.3 Ų14.31%0.0087%0.073CC..Hα-helixtrans-57.3-45.4175.6175-176.766.3163.26.4111.4E80 F309 S310 V316 R317 I326 S334 I337E80-R313 IonicContact OE1-NH2 2.78Å; E80-R313 IonicContact OE2-NH2 3.24Å; E80-R313 PolarHBondContact OE2-NH2 3.43Å; E80-R313 VanDerWaalsContact OE2-NH2 3.09Å; F309-R313 WeakPolarHBondContact O-CB 3.42Å; F309-R313 PolarHBondContact O-N 3.08Å; S310-R313 WeakPolarHBondContact O-CB 3.36Å; S310-R313 PolarHBondContact O-N 2.88Å; R313-V316 PolarHBondContact O-N 3.4Å; R313-R317 WeakPolarHBondContact O-CB 3.43Å; R313-R317 WeakPolarHBondContact O-CG 3.43Å; R313-R317 PolarHBondContact O-N 3.18Å; R313-I326 HydrophobicContact CB-CD1 4.25Å; R313-I326 HydrophobicContact CG-CD1 4.24Å; R313-S334 PolarHBondContact NH1-O 2.96Å; R313-I337 VanDerWaalsContact CZ-CD1 3.44Å
314Q82.7Confident86.3Confident16 Ų1615.6 Ų15.68%0.0758%0.079CC..Hα-helixtrans-59.9-46.4176.6-71176.48.600111.1G81 L84 T85 S310 L311 T312 V316 R317 L318G81-Q314 PolarHBondContact O-NE2 3.27Å; L84-Q314 HydrophobicContact CB-CB 4.38Å; L84-Q314 HydrophobicContact CD1-CB 4.29Å; T85-Q314 PolarHBondContact OG1-NE2 2.94Å; T85-Q314 PolarHBondContact OG1-OE1 3.34Å; S310-Q314 WeakPolarHBondContact O-CG 3.48Å; S310-Q314 PolarHBondContact O-N 3.13Å; L311-Q314 PolarHBondContact O-N 3.18Å; T312-Q314 VanDerWaalsContact C-N 3.32Å; T312-Q314 PolarHBondContact O-N 3.12Å; Q314-V316 PolarHBondContact O-N 3.45Å; Q314-R317 PolarHBondContact O-N 3.3Å; Q314-L318 WeakPolarHBondContact O-CB 3.21Å; Q314-L318 WeakPolarHBondContact O-CG 3.49Å; Q314-L318 PolarHBondContact O-N 3.06Å
315A90Very high86.1Confident0 Ų023.5 Ų23.50%011%0.109CC..Hα-helixtrans-63.6-40.6178.500000112.9L84 L311 T312 G319 Y320 L321L84-A315 HydrophobicContact CD1-CB 3.74Å; L311-A315 WeakPolarHBondContact O-CB 3.41Å; L311-A315 PolarHBondContact O-N 3.18Å; T312-A315 PolarHBondContact O-N 3.28Å; A315-G319 PolarHBondContact O-N 3.32Å; A315-Y320 WeakPolarHBondContact O-CA 3.48Å; A315-Y320 PolarHBondContact O-N 3.03Å; A315-L321 HydrophobicContact CB-CB 4.3Å; A315-L321 HydrophobicContact CB-CD1 3.72Å; A315-L321 HydrophobicContact CB-CG 3.85Å; A315-L321 PolarHBondContact O-N 3.36Å; A315-L321 VanDerWaalsContact O-N 3.16Å
316V87.9Confident85.7Confident23 Ų2325.5 Ų25.514%0.13912%0.119CC..Hα-helixtrans-61.3-45.2174.61720000110.6T312 R313 Q314 G319 L321 S322 M324T312-V316 HydrophobicContact CG2-CG2 4.4Å; T312-V316 WeakPolarHBondContact O-CG2 3.38Å; T312-V316 PolarHBondContact O-N 3.26Å; R313-V316 PolarHBondContact O-N 3.4Å; Q314-V316 PolarHBondContact O-N 3.45Å; V316-G319 WeakPolarHBondContact O-CA 3.38Å; V316-G319 PolarHBondContact O-N 3.27Å; V316-L321 HydrophobicContact CG2-CB 3.76Å; V316-S322 WeakPolarHBondContact CG2-O 3.46Å; V316-M324 HydrophobicContact CG2-CG 4.11Å; V316-M324 HydrophobicContact CG2-SD 4.45Å
317R77.7Confident85.5Confident90 Ų9026.9 Ų26.934%0.3413%0.125SC..Hα-helixtrans-67.7-42.4-178.2-74.8176.9176.3173.53.8113.7R313 Q314 G319 W542R313-R317 WeakPolarHBondContact O-CB 3.43Å; R313-R317 WeakPolarHBondContact O-CG 3.43Å; R313-R317 PolarHBondContact O-N 3.18Å; Q314-R317 PolarHBondContact O-N 3.3Å; R317-G319 PolarHBondContact O-N 3Å; R317-G319 VanDerWaalsContact O-N 3.13Å; R317-W542 PolarHBondContact NH1-O 3.27Å; R317-W542 PolarHBondContact NH2-O 2.95Å
318L80.9Confident84.9Confident50 Ų5030.5 Ų30.526%0.26214%0.141SC..THydrogen-bonded Turntrans-69.5-5.1172.7-66.5170.8000112.6L84 M87 Q314 Y320 K441L84-L318 HydrophobicContact CB-CD1 4.01Å; M87-L318 HydrophobicContact CE-CD1 3.87Å; Q314-L318 WeakPolarHBondContact O-CB 3.21Å; Q314-L318 WeakPolarHBondContact O-CG 3.49Å; Q314-L318 PolarHBondContact O-N 3.06Å; L318-Y320 HydrophobicContact CB-CD2 3.48Å; L318-Y320 VanDerWaalsContact CB-CD2 3.48Å; L318-Y320 HydrophobicContact CB-CE2 3.68Å; L318-Y320 HydrophobicContact CD1-CD2 4.43Å; L318-Y320 HydrophobicContact CD1-CE2 4.41Å; L318-K441 PolarHBondContact O-NZ 3.48Å
319G85.4Confident83.9Confident3 Ų332.1 Ų32.13%0.03115%0.151CC..THydrogen-bonded Turntrans75.525.517700000113.8A315 V316 R317 W440 K441A315-G319 PolarHBondContact O-N 3.32Å; V316-G319 WeakPolarHBondContact O-CA 3.38Å; V316-G319 PolarHBondContact O-N 3.27Å; R317-G319 PolarHBondContact O-N 3Å; R317-G319 VanDerWaalsContact O-N 3.13Å; G319-W440 VanDerWaalsContact O-CD1 3.24Å; G319-K441 WeakPolarHBondContact O-CD 3.46Å
320Y90.6Very high82.7Confident23 Ų2333.1 Ų33.19%0.0916%0.159CC..SBendtrans-93-19.1174.3-66.9-67.8000113.2M87 V103 L107 A315 L318 M437 W440 K441M87-Y320 HydrophobicContact CE-CD2 4.48Å; M87-Y320 HydrophobicContact CE-CE2 3.73Å; V103-Y320 HydrophobicContact CG1-CE1 4.2Å; V103-Y320 WeakPolarHBondContact CG1-OH 3.42Å; L107-Y320 HydrophobicContact CD1-CD1 3.97Å; L107-Y320 HydrophobicContact CD1-CE1 3.78Å; L107-Y320 HydrophobicContact CD2-CD1 3.71Å; L107-Y320 HydrophobicContact CD2-CD2 3.96Å; L107-Y320 HydrophobicContact CD2-CE1 4.02Å; L107-Y320 HydrophobicContact CD2-CE2 4.25Å; L107-Y320 HydrophobicContact CD2-CG 3.7Å; L107-Y320 HydrophobicContact CG-CD1 4.43Å; L107-Y320 HydrophobicContact CG-CE1 4.34Å; A315-Y320 WeakPolarHBondContact O-CA 3.48Å; A315-Y320 PolarHBondContact O-N 3.03Å; L318-Y320 HydrophobicContact CB-CD2 3.48Å; L318-Y320 VanDerWaalsContact CB-CD2 3.48Å; L318-Y320 HydrophobicContact CB-CE2 3.68Å; L318-Y320 HydrophobicContact CD1-CD2 4.43Å; L318-Y320 HydrophobicContact CD1-CE2 4.41Å; Y320-M437 WeakPolarHBondContact O-CA 3.4Å; Y320-W440 VanDerWaalsContact C-CD1 3.45Å; Y320-K441 HydrophobicContact CD1-CB 3.85Å; Y320-K441 HydrophobicContact CD1-CD 4.02Å; Y320-K441 HydrophobicContact CD1-CG 3.95Å; Y320-K441 HydrophobicContact CE1-CB 4.17Å; Y320-K441 HydrophobicContact CE1-CD 3.9Å; Y320-K441 HydrophobicContact CE1-CG 3.78Å
321L92.2Very high81.1Confident10 Ų1042.3 Ų42.35%0.05220%0.201CC..SBendtrans-121.7161170-73.4178.8000111.7T312 A315 V316 M433 V436 M437 W440T312-L321 HydrophobicContact CG2-CD1 4.03Å; A315-L321 HydrophobicContact CB-CB 4.3Å; A315-L321 HydrophobicContact CB-CD1 3.72Å; A315-L321 HydrophobicContact CB-CG 3.85Å; A315-L321 PolarHBondContact O-N 3.36Å; A315-L321 VanDerWaalsContact O-N 3.16Å; V316-L321 HydrophobicContact CG2-CB 3.76Å; L321-M433 HydrophobicContact CD2-CE 4.49Å; L321-V436 HydrophobicContact CD2-CG1 3.71Å; L321-M437 HydrophobicContact CD2-CG 3.82Å; L321-M437 HydrophobicContact CG-CG 4.12Å; L321-W440 VanDerWaalsContact C-NE1 3.35Å; L321-W440 PolarHBondContact O-NE1 2.88Å
322S89Confident79.1Confident8 Ų848.6 Ų48.66%0.05623%0.232CC..  trans-64.7139.7175.857.80000111.5V316 M324 W440V316-S322 WeakPolarHBondContact CG2-O 3.46Å; S322-M324 PolarHBondContact O-N 2.96Å; S322-W440 VanDerWaalsContact CA-CZ2 3.41Å; S322-W440 VanDerWaalsContact CB-CH2 3.43Å
323P84.9Confident77.2Confident34 Ų3451.3 Ų51.322%0.22125%0.245CC..  trans-49.3128.9167-25.233.5000109.5W440 A599 L600P323-W440 VanDerWaalsContact CD-CZ2 3.46Å; P323-A599 CarbonylContact O-C 3.49Å; P323-A599 WeakPolarHBondContact O-CA 3.29Å; P323-A599 WeakPolarHBondContact O-CB 3.46Å; P323-L600 HydrophobicContact CB-CB 4.42Å; P323-L600 PolarHBondContact O-N 2.91Å
324M87Confident75.2Confident28 Ų2852.1 Ų52.114%0.13825%0.251CS..  trans-140.4163.4-179.256.5-178.755.100109.1T312 V316 S322 I326 I339 V342T312-M324 HydrophobicContact CG2-CE 4.45Å; T312-M324 HydrophobicContact CG2-SD 3.55Å; T312-M324 VanDerWaalsContact CG2-SD 3.55Å; V316-M324 HydrophobicContact CG2-CG 4.11Å; V316-M324 HydrophobicContact CG2-SD 4.45Å; S322-M324 PolarHBondContact O-N 2.96Å; M324-I326 PolarHBondContact O-N 3.3Å; M324-I326 VanDerWaalsContact O-N 3.08Å; M324-I339 HydrophobicContact CG-CG2 4.31Å; M324-I339 HydrophobicContact SD-CG2 3.62Å; M324-V342 HydrophobicContact SD-CG2 4.19Å
325R82.5Confident73.8Confident167 Ų16752 Ų5263%0.6325%0.253SS*.  trans-67.3110-179.9-170.6179.4-179.7-172.5-1.2109.9I327R325-I327 HydrophobicContact CG-CD1 4.42Å; R325-I327 HydrophobicContact CG-CG1 3.99Å
326I80.4Confident72.7Confident41 Ų4153.8 Ų53.821%0.2126%0.262CS..  trans-107.1110.1175.4-65.6176.2000106.5R313 M324 I337 I339R313-I326 HydrophobicContact CB-CD1 4.25Å; R313-I326 HydrophobicContact CG-CD1 4.24Å; M324-I326 PolarHBondContact O-N 3.3Å; M324-I326 VanDerWaalsContact O-N 3.08Å; I326-I337 HydrophobicContact CG2-CG1 4.38Å; I326-I337 HydrophobicContact CG2-CG2 3.46Å; I326-I337 VanDerWaalsContact CG2-CG2 3.46Å; I326-I339 HydrophobicContact CG1-CD1 4.19Å; I326-I339 HydrophobicContact CG1-CG1 4.29Å
327I78Confident72.1Confident51 Ų5153.2 Ų53.226%0.26226%0.258SS..EExtended strand (participates in β ladder)trans-97.4120.3-179.1-56.7175.5000107.7R325 I337 Y338 P340R325-I327 HydrophobicContact CG-CD1 4.42Å; R325-I327 HydrophobicContact CG-CG1 3.99Å; I327-I337 CarbonylContact O-C 3.56Å; I327-I337 WeakPolarHBondContact O-CA 3.24Å; I327-Y338 HydrophobicContact CD1-CD1 4.14Å; I327-Y338 PolarHBondContact N-O 3.33Å; I327-Y338 PolarHBondContact O-N 3.17Å; I327-P340 HydrophobicContact CD1-CG 4.05Å
328H71.8Confident72.5Confident76 Ų7649.8 Ų49.835%0.35225%0.245SC..EExtended strand (participates in β ladder)trans-81.4120.8170.2-62.690.6000108.2
329T67.5Low72.9Confident36 Ų3647.4 Ų47.422%0.22123%0.233CC..SBendtrans-93.4-7.3-176.2610000113.2G161 Q336G161-T329 WeakPolarHBondContact CA-OG1 3.4Å; T329-Q336 PolarHBondContact N-O 3.26Å; T329-Q336 VanDerWaalsContact OG1-C 3.32Å; T329-Q336 WeakPolarHBondContact OG1-CB 3.41Å; T329-Q336 PolarHBondContact OG1-O 2.92Å
330S61.8Low73.2Confident26 Ų2648.9 Ų48.918%0.18224%0.242CC..  trans-137.8135.7169.9171.20000109.6M332 E333S330-M332 VanDerWaalsContact C-N 3.27Å; S330-M332 PolarHBondContact OG-N 2.91Å; S330-E333 PolarHBondContact OG-N 3.06Å
331E49.6Very low73.2Confident197 Ų19753.8 Ų53.892%0.92126%0.264SS*.SBendtrans-72-25174.8-63.4-172.6170.500112.2
332M46.2Very low73.3Confident139 Ų13954.1 Ų54.169%0.68527%0.266SS*.SBendtrans-93.1-31.4-174-62.8-63.2-70.600112.4S330S330-M332 VanDerWaalsContact C-N 3.27Å; S330-M332 PolarHBondContact OG-N 2.91Å
333E49.9Very low73.5Confident57 Ų5753.8 Ų53.827%0.26626%0.264SS..  trans-115.896-172-65.2-63.1165.200110.6Q7 S330 G335 Q336Q7-E333 PolarHBondContact NE2-OE1 3.47Å; S330-E333 PolarHBondContact OG-N 3.06Å; E333-G335 PolarHBondContact O-N 3.22Å; E333-Q336 HydrophobicContact CB-CG 3.79Å; E333-Q336 PolarHBondContact O-N 3.39Å
334S43.6Very low74Confident20 Ų2057.7 Ų57.714%0.1427%0.274CS..THydrogen-bonded Turntrans-55.6-12.8-179.365.50000115.4R313 I337 R543R313-S334 PolarHBondContact NH1-O 2.96Å; S334-I337 VanDerWaalsContact O-CD1 3.29Å; S334-I337 WeakPolarHBondContact O-CD1 3.36Å; S334-R543 PolarHBondContact OG-NE 2.92Å; S334-R543 VanDerWaalsContact OG-NE 3.16Å; S334-R543 PolarHBondContact OG-NH1 2.96Å; S334-R543 PolarHBondContact OG-NH2 2.62Å
335G53.2Low74.3Confident12 Ų1261.2 Ų61.212%0.12429%0.291CS..THydrogen-bonded Turntrans-82.5-22.1176.300000116.3H237 E333 I337H237-G335 WeakPolarHBondContact CE1-CA 3.38Å; H237-G335 VanDerWaalsContact ND1-CA 3.28Å; H237-G335 WeakPolarHBondContact ND1-CA 3.43Å; H237-G335 WeakPolarHBondContact NE2-CA 3.45Å; E333-G335 PolarHBondContact O-N 3.22Å; G335-I337 PolarHBondContact O-N 2.8Å
336Q66.3Low75Confident39 Ų3953.9 Ų53.918%0.18227%0.265CS..  trans-82.778.8-173.4-58.7-168.8-1.800109.1T162 A163 T329 E333T162-Q336 VanDerWaalsContact OG1-CD 3.31Å; T162-Q336 VanDerWaalsContact OG1-CG 3.26Å; T162-Q336 WeakPolarHBondContact OG1-CG 3.41Å; A163-Q336 VanDerWaalsContact CB-OE1 3.3Å; T329-Q336 PolarHBondContact N-O 3.26Å; T329-Q336 VanDerWaalsContact OG1-C 3.32Å; T329-Q336 WeakPolarHBondContact OG1-CB 3.41Å; T329-Q336 PolarHBondContact OG1-O 2.92Å; E333-Q336 HydrophobicContact CB-CG 3.79Å; E333-Q336 PolarHBondContact O-N 3.39Å
337I75.9Confident75.7Confident10 Ų1053.8 Ų53.85%0.05126%0.262CS..EExtended strand (participates in β ladder)trans-110.1138.8-174.2-69.2155.1000108.8F309 R313 I326 I327 S334 G335 I339F309-I337 HydrophobicContact CB-CG2 4.4Å; F309-I337 WeakPolarHBondContact CD2-O 3.31Å; R313-I337 VanDerWaalsContact CZ-CD1 3.44Å; I326-I337 HydrophobicContact CG2-CG1 4.38Å; I326-I337 HydrophobicContact CG2-CG2 3.46Å; I326-I337 VanDerWaalsContact CG2-CG2 3.46Å; I327-I337 CarbonylContact O-C 3.56Å; I327-I337 WeakPolarHBondContact O-CA 3.24Å; S334-I337 VanDerWaalsContact O-CD1 3.29Å; S334-I337 WeakPolarHBondContact O-CD1 3.36Å; G335-I337 PolarHBondContact O-N 2.8Å; I337-I339 HydrophobicContact CG2-CD1 4.27Å; I337-I339 HydrophobicContact CG2-CG1 3.77Å
338Y85.2Confident76.6Confident18 Ų1854.6 Ų54.67%0.07127%0.269CS..EExtended strand (participates in β ladder)trans-116.2125.5169.3176.8-119.1000109.5Q158 K159 F309 I327 P340 N343Q158-Y338 HydrophobicContact CB-CD2 3.8Å; Q158-Y338 HydrophobicContact CB-CE2 3.57Å; K159-Y338 HydrophobicContact CB-CD1 4.27Å; K159-Y338 HydrophobicContact CB-CE1 3.77Å; F309-Y338 HydrophobicContact CE2-CD2 4.21Å; F309-Y338 HydrophobicContact CZ-CD2 4.15Å; I327-Y338 HydrophobicContact CD1-CD1 4.14Å; I327-Y338 PolarHBondContact N-O 3.33Å; I327-Y338 PolarHBondContact O-N 3.17Å; Y338-P340 HydrophobicContact CD1-CG 3.91Å; Y338-P340 HydrophobicContact CE1-CB 3.84Å; Y338-P340 HydrophobicContact CE1-CG 3.5Å; Y338-N343 HydrophobicContact CE2-CB 3.68Å
339I89.8Confident77.8Confident1 Ų152 Ų521%0.00526%0.261CS..  trans-116.296.7174.9-52.5-177000107.8F309 T312 M324 I326 I337 F341 V342 N343F309-I339 HydrophobicContact CB-CD1 4.25Å; F309-I339 HydrophobicContact CB-CG1 4.34Å; F309-I339 HydrophobicContact CD1-CB 3.85Å; F309-I339 HydrophobicContact CD1-CD1 4.33Å; F309-I339 HydrophobicContact CD1-CG1 4.04Å; F309-I339 HydrophobicContact CE1-CB 4.11Å; F309-I339 HydrophobicContact CG-CG1 4.32Å; T312-I339 HydrophobicContact CG2-CD1 3.65Å; M324-I339 HydrophobicContact CG-CG2 4.31Å; M324-I339 HydrophobicContact SD-CG2 3.62Å; I326-I339 HydrophobicContact CG1-CD1 4.19Å; I326-I339 HydrophobicContact CG1-CG1 4.29Å; I337-I339 HydrophobicContact CG2-CD1 4.27Å; I337-I339 HydrophobicContact CG2-CG1 3.77Å; I339-F341 VanDerWaalsContact C-N 3.31Å; I339-F341 PolarHBondContact O-N 3.15Å; I339-V342 HydrophobicContact CB-CB 4.14Å; I339-V342 HydrophobicContact CB-CG2 4.28Å; I339-V342 HydrophobicContact CG2-CB 3.96Å; I339-V342 HydrophobicContact CG2-CG2 3.63Å; I339-V342 PolarHBondContact O-N 3.05Å; I339-N343 WeakPolarHBondContact O-CB 3.48Å; I339-N343 PolarHBondContact O-N 2.84Å
340P90.9Very high79.1Confident34 Ų3450.2 Ų50.222%0.22125%0.25CS..Hα-helixtrans-55.6-42.6-170.5-21.324.7000113.9I327 Y338 N343 W344I327-P340 HydrophobicContact CD1-CG 4.05Å; Y338-P340 HydrophobicContact CD1-CG 3.91Å; Y338-P340 HydrophobicContact CE1-CB 3.84Å; Y338-P340 HydrophobicContact CE1-CG 3.5Å; P340-N343 WeakPolarHBondContact O-CB 3.38Å; P340-N343 PolarHBondContact O-N 3.07Å; P340-W344 VanDerWaalsContact O-CD1 3.28Å; P340-W344 PolarHBondContact O-N 3.45Å; P340-W344 VanDerWaalsContact O-N 3.14Å
341F91.8Very high80.7Confident125 Ų12550.5 Ų50.555%0.54825%0.25SS..Hα-helixtrans-61.9-48.3-179.4176.8-101.8000111.7I339 N343 M345I339-F341 VanDerWaalsContact C-N 3.31Å; I339-F341 PolarHBondContact O-N 3.15Å; F341-N343 VanDerWaalsContact C-N 3.34Å; F341-N343 PolarHBondContact O-N 2.87Å; F341-M345 HydrophobicContact CD1-CG 4.47Å; F341-M345 HydrophobicContact CD2-CG 4.37Å; F341-M345 HydrophobicContact CE1-CG 4.08Å; F341-M345 HydrophobicContact CE2-CG 3.97Å; F341-M345 HydrophobicContact CE2-SD 4.42Å; F341-M345 HydrophobicContact CZ-CG 3.82Å; F341-M345 HydrophobicContact CZ-SD 4.34Å; F341-M345 WeakPolarHBondContact O-CB 3.21Å; F341-M345 VanDerWaalsContact O-CG 3.27Å; F341-M345 WeakPolarHBondContact O-CG 3.44Å; F341-M345 PolarHBondContact O-N 3.49Å
342V93.2Very high82.9Confident18 Ų1845.8 Ų45.811%0.10923%0.231CC..Hα-helixtrans-66.2-39.7179.9176.30000110.8V308 F309 T312 M324 I339 W344 M345 L346V308-V342 HydrophobicContact CG1-CG1 3.36Å; F309-V342 HydrophobicContact CD1-CB 4.32Å; F309-V342 HydrophobicContact CD1-CG1 4.09Å; F309-V342 HydrophobicContact CE1-CB 4.13Å; F309-V342 HydrophobicContact CE1-CG1 4.04Å; T312-V342 HydrophobicContact CG2-CG2 3.93Å; M324-V342 HydrophobicContact SD-CG2 4.19Å; I339-V342 HydrophobicContact CB-CB 4.14Å; I339-V342 HydrophobicContact CB-CG2 4.28Å; I339-V342 HydrophobicContact CG2-CB 3.96Å; I339-V342 HydrophobicContact CG2-CG2 3.63Å; I339-V342 PolarHBondContact O-N 3.05Å; V342-W344 PolarHBondContact O-N 3.34Å; V342-M345 PolarHBondContact O-N 3.37Å; V342-L346 WeakPolarHBondContact O-CB 3.35Å; V342-L346 PolarHBondContact O-N 3.22Å
343N94.3Very high85.2Confident0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-55.9-53177-175.773.5000112.6F155 Q158 F309 Y338 I339 P340 F341 L346 Y347F155-N343 WeakPolarHBondContact CD1-O 3.2Å; F155-N343 WeakPolarHBondContact CD1-OD1 3.37Å; F155-N343 WeakPolarHBondContact CE1-O 3.48Å; F155-N343 PolarHBondContact O-ND2 3.04Å; Q158-N343 WeakPolarHBondContact CB-OD1 3.45Å; Q158-N343 WeakPolarHBondContact CG-OD1 3.43Å; F309-N343 HydrophobicContact CE1-CB 4.18Å; F309-N343 HydrophobicContact CZ-CB 3.91Å; Y338-N343 HydrophobicContact CE2-CB 3.68Å; I339-N343 WeakPolarHBondContact O-CB 3.48Å; I339-N343 PolarHBondContact O-N 2.84Å; P340-N343 WeakPolarHBondContact O-CB 3.38Å; P340-N343 PolarHBondContact O-N 3.07Å; F341-N343 VanDerWaalsContact C-N 3.34Å; F341-N343 PolarHBondContact O-N 2.87Å; N343-L346 PolarHBondContact O-N 3.1Å; N343-Y347 WeakPolarHBondContact O-CB 3.4Å; N343-Y347 PolarHBondContact O-N 3.49Å
344W95Very high87.3Confident116 Ų11636.7 Ų36.744%0.43919%0.187SC..Hα-helixtrans-73.5-34.1-176.7-76.2108.7000112.8M156 P340 V342 Y347 V348M156-W344 HydrophobicContact CG-CH2 4.35Å; P340-W344 VanDerWaalsContact O-CD1 3.28Å; P340-W344 PolarHBondContact O-N 3.45Å; P340-W344 VanDerWaalsContact O-N 3.14Å; V342-W344 PolarHBondContact O-N 3.34Å; W344-Y347 AromaticContact CE3-CD1 3.73Å; W344-Y347 HydrophobicContact CE3-CD1 3.73Å; W344-Y347 HydrophobicContact CE3-CE1 4.39Å; W344-Y347 HydrophobicContact CE3-CG 4.35Å; W344-Y347 AromaticContact CZ3-CD1 3.79Å; W344-Y347 HydrophobicContact CZ3-CD1 3.79Å; W344-Y347 HydrophobicContact CZ3-CE1 4.03Å; W344-Y347 HydrophobicContact CZ3-CG 4.48Å; W344-Y347 PolarHBondContact O-N 3.08Å; W344-V348 WeakPolarHBondContact O-CG2 3.42Å; W344-V348 PolarHBondContact O-N 3.32Å
345M94.2Very high89.7Confident102 Ų10239.4 Ų39.450%0.50220%0.202SC..Hα-helixtrans-64-43.2172.2-72.7-67.9101.200111.6F341 V342 V348 A349F341-M345 HydrophobicContact CD1-CG 4.47Å; F341-M345 HydrophobicContact CD2-CG 4.37Å; F341-M345 HydrophobicContact CE1-CG 4.08Å; F341-M345 HydrophobicContact CE2-CG 3.97Å; F341-M345 HydrophobicContact CE2-SD 4.42Å; F341-M345 HydrophobicContact CZ-CG 3.82Å; F341-M345 HydrophobicContact CZ-SD 4.34Å; F341-M345 WeakPolarHBondContact O-CB 3.21Å; F341-M345 VanDerWaalsContact O-CG 3.27Å; F341-M345 WeakPolarHBondContact O-CG 3.44Å; F341-M345 PolarHBondContact O-N 3.49Å; V342-M345 PolarHBondContact O-N 3.37Å; M345-V348 PolarHBondContact O-N 3.22Å; M345-A349 WeakPolarHBondContact O-CB 3.35Å; M345-A349 PolarHBondContact O-N 3.35Å
346L95.4Very high91.5Very high13 Ų1342.8 Ų42.87%0.06822%0.224CC..Hα-helixtrans-63.4-45.1175.7178.657.3000111.2V117 V118 F155 I305 V308 V342 N343 V348 A349 V350V117-L346 HydrophobicContact CG1-CD1 3.73Å; V117-L346 HydrophobicContact CG1-CD2 3.51Å; V117-L346 HydrophobicContact CG1-CG 4.28Å; V118-L346 HydrophobicContact CB-CD1 4.37Å; V118-L346 HydrophobicContact CG2-CD1 3.72Å; F155-L346 HydrophobicContact CE1-CB 4.02Å; F155-L346 HydrophobicContact CE1-CD2 3.95Å; F155-L346 HydrophobicContact CE1-CG 3.79Å; F155-L346 HydrophobicContact CZ-CB 4.42Å; F155-L346 HydrophobicContact CZ-CD2 4.06Å; F155-L346 HydrophobicContact CZ-CG 3.77Å; I305-L346 HydrophobicContact CG1-CD2 3.81Å; V308-L346 HydrophobicContact CG1-CD2 4.44Å; V342-L346 WeakPolarHBondContact O-CB 3.35Å; V342-L346 PolarHBondContact O-N 3.22Å; N343-L346 PolarHBondContact O-N 3.1Å; L346-V348 PolarHBondContact O-N 2.93Å; L346-A349 PolarHBondContact O-N 3.47Å; L346-V350 HydrophobicContact CD1-CG2 3.95Å; L346-V350 HydrophobicContact CG-CG2 4.3Å; L346-V350 VanDerWaalsContact O-CG2 3.22Å; L346-V350 WeakPolarHBondContact O-CG2 3.11Å; L346-V350 PolarHBondContact O-N 3.45Å
347Y96.7Very high92.6Very high39 Ų3942.4 Ų42.415%0.15322%0.222CC..Hα-helixtrans-53.8-51.4174.9171.5-111.6000112.2T152 F155 N343 W344 A349 V350 V351T152-Y347 PolarHBondContact OG1-OH 3.05Å; F155-Y347 HydrophobicContact CB-CD2 3.8Å; F155-Y347 HydrophobicContact CB-CG 4.11Å; F155-Y347 AromaticContact CD2-CD2 3.55Å; F155-Y347 HydrophobicContact CD2-CD2 3.55Å; F155-Y347 HydrophobicContact CD2-CG 4.24Å; F155-Y347 HydrophobicContact CE2-CD2 4.26Å; F155-Y347 AromaticContact CG-CD2 3.73Å; F155-Y347 HydrophobicContact CG-CD2 3.73Å; F155-Y347 HydrophobicContact CG-CG 4.05Å; N343-Y347 WeakPolarHBondContact O-CB 3.4Å; N343-Y347 PolarHBondContact O-N 3.49Å; W344-Y347 AromaticContact CE3-CD1 3.73Å; W344-Y347 HydrophobicContact CE3-CD1 3.73Å; W344-Y347 HydrophobicContact CE3-CE1 4.39Å; W344-Y347 HydrophobicContact CE3-CG 4.35Å; W344-Y347 AromaticContact CZ3-CD1 3.79Å; W344-Y347 HydrophobicContact CZ3-CD1 3.79Å; W344-Y347 HydrophobicContact CZ3-CE1 4.03Å; W344-Y347 HydrophobicContact CZ3-CG 4.48Å; W344-Y347 PolarHBondContact O-N 3.08Å; Y347-A349 VanDerWaalsContact C-N 3.32Å; Y347-A349 PolarHBondContact O-N 2.82Å; Y347-V350 PolarHBondContact O-N 3.19Å; Y347-V351 HydrophobicContact CD2-CG2 4.03Å; Y347-V351 HydrophobicContact CE1-CG2 4.28Å; Y347-V351 HydrophobicContact CE2-CG2 3.55Å; Y347-V351 WeakPolarHBondContact O-CG2 3.49Å; Y347-V351 PolarHBondContact O-N 2.99Å
348V96.9Very high93.2Very high68 Ų6847.4 Ų47.441%0.41225%0.245SC..Hα-helixtrans-60.9-43.3179.6171.30000110.9W344 M345 L346 V351 I352W344-V348 WeakPolarHBondContact O-CG2 3.42Å; W344-V348 PolarHBondContact O-N 3.32Å; M345-V348 PolarHBondContact O-N 3.22Å; L346-V348 PolarHBondContact O-N 2.93Å; V348-V351 PolarHBondContact O-N 2.8Å; V348-I352 HydrophobicContact CG1-CD1 3.85Å; V348-I352 VanDerWaalsContact O-CG1 3.28Å; V348-I352 WeakPolarHBondContact O-CG1 3.23Å; V348-I352 PolarHBondContact O-N 2.95Å
349A95.5Very high93.2Very high21 Ų2149.9 Ų49.917%0.17426%0.257CS..Hα-helixtrans-60.9-46.517700000111.7V118 M345 L346 Y347 V351 I352 V353V118-A349 HydrophobicContact CB-CB 4.49Å; V118-A349 HydrophobicContact CG1-CB 3.71Å; V118-A349 HydrophobicContact CG2-CB 3.88Å; M345-A349 WeakPolarHBondContact O-CB 3.35Å; M345-A349 PolarHBondContact O-N 3.35Å; L346-A349 PolarHBondContact O-N 3.47Å; Y347-A349 VanDerWaalsContact C-N 3.32Å; Y347-A349 PolarHBondContact O-N 2.82Å; A349-V351 PolarHBondContact O-N 2.8Å; A349-I352 PolarHBondContact O-N 3.1Å; A349-V353 WeakPolarHBondContact O-CG2 3.39Å; A349-V353 PolarHBondContact O-N 2.91Å
350V95.5Very high93.1Very high0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-61.3-44.3178.6172.40000111.3V118 P121 A122 L151 F155 L346 Y347 I352 V353 I354V118-V350 HydrophobicContact CG1-CG2 4.25Å; V118-V350 WeakPolarHBondContact O-CG2 3.25Å; P121-V350 HydrophobicContact CB-CG1 4.16Å; P121-V350 HydrophobicContact CB-CG2 4.29Å; P121-V350 HydrophobicContact CG-CG2 4.29Å; A122-V350 HydrophobicContact CB-CG1 4.27Å; L151-V350 HydrophobicContact CD1-CG1 3.68Å; F155-V350 HydrophobicContact CE2-CG2 4.48Å; F155-V350 HydrophobicContact CZ-CG2 4.27Å; L346-V350 HydrophobicContact CD1-CG2 3.95Å; L346-V350 HydrophobicContact CG-CG2 4.3Å; L346-V350 VanDerWaalsContact O-CG2 3.22Å; L346-V350 WeakPolarHBondContact O-CG2 3.11Å; L346-V350 PolarHBondContact O-N 3.45Å; Y347-V350 PolarHBondContact O-N 3.19Å; V350-I352 PolarHBondContact O-N 2.91Å; V350-V353 PolarHBondContact O-N 3.49Å; V350-I354 HydrophobicContact CG1-CD1 3.93Å; V350-I354 WeakPolarHBondContact O-CG1 3.41Å; V350-I354 PolarHBondContact O-N 3.3Å
351V96.4Very high92.8Very high31 Ų3149.7 Ų49.719%0.18826%0.256CS..Hα-helixtrans-62.1-43.5177.4171.60000111.3I148 Y347 V348 A349 V353 I354 V355I148-V351 HydrophobicContact CD1-CG1 4.47Å; Y347-V351 HydrophobicContact CD2-CG2 4.03Å; Y347-V351 HydrophobicContact CE1-CG2 4.28Å; Y347-V351 HydrophobicContact CE2-CG2 3.55Å; Y347-V351 WeakPolarHBondContact O-CG2 3.49Å; Y347-V351 PolarHBondContact O-N 2.99Å; V348-V351 PolarHBondContact O-N 2.8Å; A349-V351 PolarHBondContact O-N 2.8Å; V351-V353 VanDerWaalsContact C-N 3.28Å; V351-V353 PolarHBondContact O-N 2.78Å; V351-I354 PolarHBondContact O-N 2.62Å; V351-V355 HydrophobicContact CG1-CG2 4.37Å; V351-V355 WeakPolarHBondContact O-CG2 3.43Å; V351-V355 PolarHBondContact O-N 2.82Å
352I95Very high92.5Very high99 Ų9947.6 Ų47.651%0.50825%0.251SS..Hα-helixtrans-58.8-43.5175.9-70166.1000110.5V348 A349 V350 S356V348-I352 HydrophobicContact CG1-CD1 3.85Å; V348-I352 VanDerWaalsContact O-CG1 3.28Å; V348-I352 WeakPolarHBondContact O-CG1 3.23Å; V348-I352 PolarHBondContact O-N 2.95Å; A349-I352 PolarHBondContact O-N 3.1Å; V350-I352 PolarHBondContact O-N 2.91Å; I352-S356 VanDerWaalsContact O-CB 3.28Å; I352-S356 WeakPolarHBondContact O-CB 3.42Å; I352-S356 PolarHBondContact O-N 3.14Å; I352-S356 PolarHBondContact O-OG 2.98Å
353V93.4Very high92.2Very high5 Ų546.7 Ų46.73%0.0325%0.246CC..Hα-helixtrans-63.4-47.1178.9172.20000111.8V118 I119 A122 A349 V350 V351 V355 S356 F357 L363 L425V118-V353 HydrophobicContact CG1-CB 4.5Å; V118-V353 HydrophobicContact CG1-CG2 3.65Å; I119-V353 HydrophobicContact CD1-CG1 4.23Å; I119-V353 HydrophobicContact CD1-CG2 4.47Å; A122-V353 HydrophobicContact CB-CG1 4.02Å; A349-V353 WeakPolarHBondContact O-CG2 3.39Å; A349-V353 PolarHBondContact O-N 2.91Å; V350-V353 PolarHBondContact O-N 3.49Å; V351-V353 VanDerWaalsContact C-N 3.28Å; V351-V353 PolarHBondContact O-N 2.78Å; V353-V355 PolarHBondContact O-N 3.4Å; V353-S356 PolarHBondContact O-N 3.35Å; V353-F357 HydrophobicContact CG1-CD2 4.08Å; V353-F357 WeakPolarHBondContact O-CD2 3.36Å; V353-F357 PolarHBondContact O-N 2.9Å; V353-L363 HydrophobicContact CG1-CD1 3.31Å; V353-L363 HydrophobicContact CG1-CD2 4.04Å; V353-L363 HydrophobicContact CG1-CG 4.34Å; V353-L425 HydrophobicContact CG1-CD2 4.3Å; V353-L425 HydrophobicContact CG2-CD2 3.58Å
354I94Very high91.7Very high0 Ų046.9 Ų46.90%025%0.247CC..Hα-helixtrans-60.2-47.2179.2-70.6170.5000111.1A122 M126 V144 I148 L151 V350 V351 S356 E358A122-I354 HydrophobicContact CB-CD1 4.14Å; A122-I354 HydrophobicContact CB-CG1 3.6Å; M126-I354 HydrophobicContact CG-CG1 4.38Å; M126-I354 HydrophobicContact CG-CG2 4.48Å; M126-I354 HydrophobicContact SD-CB 4.27Å; M126-I354 HydrophobicContact SD-CG1 4.04Å; M126-I354 HydrophobicContact SD-CG2 3.94Å; V144-I354 HydrophobicContact CG1-CG2 4.05Å; V144-I354 HydrophobicContact CG2-CG2 4.46Å; I148-I354 HydrophobicContact CD1-CG2 4.43Å; I148-I354 HydrophobicContact CG1-CG2 4.05Å; L151-I354 HydrophobicContact CD1-CD1 3.2Å; V350-I354 HydrophobicContact CG1-CD1 3.93Å; V350-I354 WeakPolarHBondContact O-CG1 3.41Å; V350-I354 PolarHBondContact O-N 3.3Å; V351-I354 PolarHBondContact O-N 2.62Å; I354-S356 VanDerWaalsContact C-N 3.27Å; I354-S356 PolarHBondContact O-N 2.83Å; I354-E358 PolarHBondContact O-N 3.35Å
355V94.3Very high90.9Very high77 Ų7741.8 Ų41.847%0.46723%0.23SC..Hα-helixtrans-66.3-30.4179.6174.80000111.9I148 V351 V353I148-V355 HydrophobicContact CD1-CG2 3.84Å; V351-V355 HydrophobicContact CG1-CG2 4.37Å; V351-V355 WeakPolarHBondContact O-CG2 3.43Å; V351-V355 PolarHBondContact O-N 2.82Å; V353-V355 PolarHBondContact O-N 3.4Å
356S91.4Very high90.2Very high82 Ų8237 Ų3757%0.57321%0.206SC*.Hα-helixtrans-82.6-30.2-177.7-56.10000113.7I352 V353 I354I352-S356 VanDerWaalsContact O-CB 3.28Å; I352-S356 WeakPolarHBondContact O-CB 3.42Å; I352-S356 PolarHBondContact O-N 3.14Å; I352-S356 PolarHBondContact O-OG 2.98Å; V353-S356 PolarHBondContact O-N 3.35Å; I354-S356 VanDerWaalsContact C-N 3.27Å; I354-S356 PolarHBondContact O-N 2.83Å
357F89.2Confident89.5Confident32 Ų3236.5 Ų36.514%0.1420%0.204CC..Hα-helixtrans-102.5-25-174.4-77.7-96.6000114V353 H359 N362 L363 A366 L425V353-F357 HydrophobicContact CG1-CD2 4.08Å; V353-F357 WeakPolarHBondContact O-CD2 3.36Å; V353-F357 PolarHBondContact O-N 2.9Å; F357-H359 PolarHBondContact O-N 3.09Å; F357-N362 HydrophobicContact CB-CB 4.27Å; F357-N362 VanDerWaalsContact CD1-C 3.5Å; F357-N362 HydrophobicContact CD1-CB 3.87Å; F357-N362 WeakPolarHBondContact CD1-O 3.27Å; F357-N362 WeakPolarHBondContact CE1-O 3.39Å; F357-N362 WeakPolarHBondContact O-CB 3.47Å; F357-N362 PolarHBondContact O-ND2 2.98Å; F357-L363 HydrophobicContact CB-CB 4.3Å; F357-L363 HydrophobicContact CB-CD1 4.34Å; F357-L363 HydrophobicContact CD1-CB 4.39Å; F357-L363 HydrophobicContact CD1-CD1 4.15Å; F357-L363 HydrophobicContact CD2-CD1 3.94Å; F357-L363 HydrophobicContact CE1-CD1 4.46Å; F357-L363 HydrophobicContact CE2-CD1 4.28Å; F357-L363 HydrophobicContact CG-CB 4.42Å; F357-L363 HydrophobicContact CG-CD1 3.87Å; F357-A366 HydrophobicContact CE1-CB 4.09Å; F357-A366 HydrophobicContact CZ-CB 4.07Å; F357-L425 HydrophobicContact CE2-CD2 3.75Å; F357-L425 HydrophobicContact CZ-CD2 4.22Å
358E88.1Confident89Confident114 Ų11434.8 Ų34.853%0.53320%0.197SC..  trans62.7-45.5175.1-58.6-179.3173.400116.3V144 I354V144-E358 HydrophobicContact CG2-CB 4.32Å; V144-E358 WeakPolarHBondContact CG2-O 3.33Å; I354-E358 PolarHBondContact O-N 3.35Å
359H86.5Confident88.6Confident70 Ų7031.6 Ų31.632%0.32418%0.178SC..SBendtrans-117.3148.3177.3-64.4-79.1000111.7D140 F357 S361 N362 L363D140-H359 IonicContact OD1-CE1 2.78Å; F357-H359 PolarHBondContact O-N 3.09Å; H359-S361 VanDerWaalsContact C-N 3.32Å; H359-S361 PolarHBondContact O-N 3.28Å; H359-N362 PolarHBondContact O-N 3.18Å; H359-L363 PolarHBondContact O-N 3.23Å
360S87.5Confident88.4Confident0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-67.7-28.4-178.666.50000113.7R33 S127 E130 N362 L363 A364R33-S360 PolarHBondContact NH2-OG 2.68Å; S127-S360 WeakPolarHBondContact OG-CB 3.15Å; S127-S360 PolarHBondContact OG-OG 3.26Å; S127-S360 VanDerWaalsContact OG-OG 3.1Å; E130-S360 WeakPolarHBondContact OE1-CB 3.45Å; E130-S360 PolarHBondContact OE1-N 3.29Å; E130-S360 PolarHBondContact OE1-OG 3.35Å; E130-S360 PolarHBondContact OE2-OG 3.04Å; S360-N362 VanDerWaalsContact C-N 3.33Å; S360-N362 PolarHBondContact O-N 3.49Å; S360-L363 CarbonylContact O-C 3.54Å; S360-L363 WeakPolarHBondContact O-CB 3.41Å; S360-L363 PolarHBondContact O-N 2.8Å; S360-L363 VanDerWaalsContact O-N 3.1Å; S360-A364 WeakPolarHBondContact O-CB 3.36Å; S360-A364 PolarHBondContact O-N 2.98Å
361S85.4Confident88.2Confident31 Ų3130.9 Ų30.922%0.21717%0.172CC..Hα-helixtrans-65.5-34.7174.7-56.70000112.7E34 H359 L363 A364E34-S361 WeakPolarHBondContact OE1-CB 3.37Å; E34-S361 PolarHBondContact OE1-OG 3.47Å; E34-S361 WeakPolarHBondContact OE2-CA 3.44Å; E34-S361 WeakPolarHBondContact OE2-CB 3.39Å; E34-S361 PolarHBondContact OE2-OG 2.81Å; H359-S361 VanDerWaalsContact C-N 3.32Å; H359-S361 PolarHBondContact O-N 3.28Å; S361-L363 VanDerWaalsContact C-N 3.28Å; S361-L363 PolarHBondContact O-N 3.46Å; S361-A364 PolarHBondContact O-N 3.29Å
362N85.1Confident88Confident81 Ų8129.4 Ų29.443%0.43316%0.163SC..Hα-helixtrans-65.6-37.6172.5-65.3-22.5000110.4F357 H359 S360F357-N362 HydrophobicContact CB-CB 4.27Å; F357-N362 VanDerWaalsContact CD1-C 3.5Å; F357-N362 HydrophobicContact CD1-CB 3.87Å; F357-N362 WeakPolarHBondContact CD1-O 3.27Å; F357-N362 WeakPolarHBondContact CE1-O 3.39Å; F357-N362 WeakPolarHBondContact O-CB 3.47Å; F357-N362 PolarHBondContact O-ND2 2.98Å; H359-N362 PolarHBondContact O-N 3.18Å; S360-N362 VanDerWaalsContact C-N 3.33Å; S360-N362 PolarHBondContact O-N 3.49Å
363L85.5Confident88Confident0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-75.4-29.1179.4-167.662.5000113I119 A122 I123 M126 V353 F357 H359 S360 S361 A365 A366 Y367I119-L363 HydrophobicContact CD1-CD1 4.13Å; I119-L363 HydrophobicContact CG2-CD1 3.83Å; I119-L363 HydrophobicContact CG2-CD2 3.91Å; I119-L363 HydrophobicContact CG2-CG 3.65Å; A122-L363 HydrophobicContact CB-CD2 3.47Å; A122-L363 VanDerWaalsContact CB-CD2 3.47Å; I123-L363 HydrophobicContact CB-CD2 3.73Å; I123-L363 HydrophobicContact CB-CG 4.29Å; I123-L363 HydrophobicContact CG1-CD2 4.46Å; I123-L363 VanDerWaalsContact N-CD2 3.34Å; M126-L363 HydrophobicContact CE-CB 4.05Å; M126-L363 HydrophobicContact CE-CD2 3.43Å; M126-L363 VanDerWaalsContact CE-CD2 3.43Å; M126-L363 HydrophobicContact CE-CG 4.37Å; V353-L363 HydrophobicContact CG1-CD1 3.31Å; V353-L363 HydrophobicContact CG1-CD2 4.04Å; V353-L363 HydrophobicContact CG1-CG 4.34Å; F357-L363 HydrophobicContact CB-CB 4.3Å; F357-L363 HydrophobicContact CB-CD1 4.34Å; F357-L363 HydrophobicContact CD1-CB 4.39Å; F357-L363 HydrophobicContact CD1-CD1 4.15Å; F357-L363 HydrophobicContact CD2-CD1 3.94Å; F357-L363 HydrophobicContact CE1-CD1 4.46Å; F357-L363 HydrophobicContact CE2-CD1 4.28Å; F357-L363 HydrophobicContact CG-CB 4.42Å; F357-L363 HydrophobicContact CG-CD1 3.87Å; H359-L363 PolarHBondContact O-N 3.23Å; S360-L363 CarbonylContact O-C 3.54Å; S360-L363 WeakPolarHBondContact O-CB 3.41Å; S360-L363 PolarHBondContact O-N 2.8Å; S360-L363 VanDerWaalsContact O-N 3.1Å; S361-L363 VanDerWaalsContact C-N 3.28Å; S361-L363 PolarHBondContact O-N 3.46Å; L363-A365 PolarHBondContact O-N 2.59Å; L363-A366 HydrophobicContact CD1-CB 4.26Å; L363-A366 WeakPolarHBondContact O-CA 3.25Å; L363-A366 WeakPolarHBondContact O-CB 3.36Å; L363-A366 PolarHBondContact O-N 3.1Å; L363-Y367 PolarHBondContact O-N 2.89Å
364A84.7Confident88Confident3 Ų324.7 Ų24.73%0.02514%0.14CC..Hα-helixtrans-62.7-28.9175.200000112.5E34 I123 L223 S360 S361 A366 Y367 K418E34-A364 HydrophobicContact CG-CB 3.75Å; I123-A364 HydrophobicContact CD1-CB 4.01Å; L223-A364 HydrophobicContact CD1-CB 4.09Å; S360-A364 WeakPolarHBondContact O-CB 3.36Å; S360-A364 PolarHBondContact O-N 2.98Å; S361-A364 PolarHBondContact O-N 3.29Å; A364-A366 VanDerWaalsContact C-N 3.32Å; A364-Y367 PolarHBondContact O-N 3.48Å; A364-K418 PolarHBondContact O-NZ 3.36Å
365A77.7Confident88.1Confident10 Ų1024.8 Ų24.88%0.08314%0.14CC..Hα-helixtrans-68.4-31170.300000112.2L363 Y367 K418L363-A365 PolarHBondContact O-N 2.59Å; A365-Y367 VanDerWaalsContact C-N 3.32Å; A365-K418 VanDerWaalsContact O-CB 3.32Å; A365-K418 WeakPolarHBondContact O-CB 3.33Å
366A80.5Confident88.2Confident0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-76.7-19.8176.400000113.7F357 L363 A364 G422 P426F357-A366 HydrophobicContact CE1-CB 4.09Å; F357-A366 HydrophobicContact CZ-CB 4.07Å; L363-A366 HydrophobicContact CD1-CB 4.26Å; L363-A366 WeakPolarHBondContact O-CA 3.25Å; L363-A366 WeakPolarHBondContact O-CB 3.36Å; L363-A366 PolarHBondContact O-N 3.1Å; A364-A366 VanDerWaalsContact C-N 3.32Å; A366-G422 VanDerWaalsContact CA-C 3.43Å; A366-G422 VanDerWaalsContact CB-O 3.3Å; A366-G422 WeakPolarHBondContact CB-O 3.47Å; A366-P426 VanDerWaalsContact O-CG 3.29Å; A366-P426 WeakPolarHBondContact O-CG 3.39Å
367Y81Confident88.4Confident4 Ų419.5 Ų19.52%0.01610%0.103CC..SBendtrans-87146.9-174.7-161.3-80.4000112.1E116 I119 L223 T226 L363 A364 A365 V371 N415E116-Y367 HydrophobicContact CG-CE2 3.98Å; E116-Y367 WeakPolarHBondContact CG-OH 3.33Å; E116-Y367 PolarHBondContact OE1-OH 2.69Å; I119-Y367 HydrophobicContact CB-CD2 3.81Å; I119-Y367 HydrophobicContact CB-CE2 4.24Å; I119-Y367 HydrophobicContact CG2-CD2 3.53Å; I119-Y367 HydrophobicContact CG2-CE2 4.36Å; I119-Y367 HydrophobicContact CG2-CG 4.41Å; L223-Y367 HydrophobicContact CD2-CD1 3.49Å; L223-Y367 VanDerWaalsContact CD2-CD1 3.49Å; L223-Y367 HydrophobicContact CD2-CE1 4.32Å; L223-Y367 HydrophobicContact CD2-CG 3.89Å; T226-Y367 WeakPolarHBondContact CB-OH 3.11Å; T226-Y367 HydrophobicContact CG2-CD1 3.99Å; T226-Y367 HydrophobicContact CG2-CE1 3.09Å; T226-Y367 WeakPolarHBondContact CG2-OH 3.28Å; L363-Y367 PolarHBondContact O-N 2.89Å; A364-Y367 PolarHBondContact O-N 3.48Å; A365-Y367 VanDerWaalsContact C-N 3.32Å; Y367-V371 HydrophobicContact CD1-CG2 4.36Å; Y367-V371 HydrophobicContact CE1-CB 4.39Å; Y367-V371 HydrophobicContact CE1-CG2 3.48Å; Y367-V371 VanDerWaalsContact CE1-CG2 3.48Å; Y367-V371 HydrophobicContact CE2-CG2 4.41Å; Y367-V371 WeakPolarHBondContact OH-CG2 3.42Å; Y367-N415 PolarHBondContact O-OD1 3.48Å
368G85.2Confident88.8Confident2 Ų218 Ų182%0.02110%0.097CC..SBendtrans117.7-38.8167.400000115.8V371 T372G368-V371 PolarHBondContact O-N 3.09Å; G368-T372 WeakPolarHBondContact O-CB 3.26Å; G368-T372 WeakPolarHBondContact O-CG2 3.34Å; G368-T372 PolarHBondContact O-N 2.9Å; G368-T372 PolarHBondContact O-OG1 2.88Å
369I88.3Confident89.2Confident2 Ų212.5 Ų12.51%0.017%0.071CC..Hα-helixtrans-62.4-49.3-177.9-55.1174.4000111.6V371 T372 G373 F412 N415 L416 L419 L427I369-V371 VanDerWaalsContact C-N 3.34Å; I369-V371 PolarHBondContact O-N 2.78Å; I369-T372 PolarHBondContact O-OG1 3.2Å; I369-G373 PolarHBondContact O-N 3.43Å; I369-F412 HydrophobicContact CG2-CD2 4.49Å; I369-F412 HydrophobicContact CG2-CE2 3.85Å; I369-N415 HydrophobicContact CB-CB 4.45Å; I369-N415 VanDerWaalsContact CD1-O 3.26Å; I369-N415 WeakPolarHBondContact CD1-O 3.34Å; I369-N415 HydrophobicContact CG1-CB 3.7Å; I369-N415 WeakPolarHBondContact CG1-O 3.49Å; I369-L416 HydrophobicContact CG2-CD2 4.5Å; I369-L419 HydrophobicContact CD1-CB 4.08Å; I369-L419 HydrophobicContact CD1-CD1 3.89Å; I369-L427 HydrophobicContact CB-CD1 4.49Å; I369-L427 HydrophobicContact CD1-CD1 4.29Å; I369-L427 HydrophobicContact CG2-CD1 3.85Å; I369-L427 HydrophobicContact CG2-CD2 4.07Å; I369-L427 HydrophobicContact CG2-CG 4.16Å
370A90.8Very high89.7Confident2 Ų211.3 Ų11.32%0.0177%0.067CC..Hα-helixtrans-64.6-39.2179.700000112F112 T374 P426F112-A370 HydrophobicContact CB-CB 3.96Å; F112-A370 HydrophobicContact CG-CB 4.24Å; A370-T374 WeakPolarHBondContact O-CB 3.2Å; A370-T374 PolarHBondContact O-N 2.49Å; A370-T374 PolarHBondContact O-OG1 3Å; A370-P426 HydrophobicContact CB-CB 3.98Å; A370-P426 HydrophobicContact CB-CG 4.46Å
371V91.4Very high90.1Very high3 Ų311.3 Ų11.32%0.0187%0.067CC..Hα-helixtrans-65.5-54.3179.7-1780000111E116 Y367 G368 I369 G373 T374 M375E116-V371 HydrophobicContact CB-CG2 4.3Å; E116-V371 VanDerWaalsContact CD-CG2 3.4Å; E116-V371 HydrophobicContact CG-CG2 3.68Å; Y367-V371 HydrophobicContact CD1-CG2 4.36Å; Y367-V371 HydrophobicContact CE1-CB 4.39Å; Y367-V371 HydrophobicContact CE1-CG2 3.48Å; Y367-V371 VanDerWaalsContact CE1-CG2 3.48Å; Y367-V371 HydrophobicContact CE2-CG2 4.41Å; Y367-V371 WeakPolarHBondContact OH-CG2 3.42Å; G368-V371 PolarHBondContact O-N 3.09Å; I369-V371 VanDerWaalsContact C-N 3.34Å; I369-V371 PolarHBondContact O-N 2.78Å; V371-G373 VanDerWaalsContact C-N 3.31Å; V371-G373 PolarHBondContact O-N 2.8Å; V371-T374 WeakPolarHBondContact O-CA 3.49Å; V371-T374 WeakPolarHBondContact O-CB 3.48Å; V371-T374 PolarHBondContact O-N 2.9Å; V371-T374 VanDerWaalsContact O-N 3.13Å; V371-M375 HydrophobicContact CG1-CE 3.67Å; V371-M375 HydrophobicContact CG1-SD 4.39Å; V371-M375 WeakPolarHBondContact O-CG 3.35Å; V371-M375 PolarHBondContact O-N 3.27Å
372T93.5Very high90.6Very high1 Ų19.9 Ų9.91%0.0066%0.057CC..Hα-helixtrans-66.8-34.7179.952.40000111.8V222 G368 I369 T374 M375 V376 L411 F412V222-T372 HydrophobicContact CB-CG2 4.37Å; V222-T372 HydrophobicContact CG1-CG2 3.73Å; V222-T372 HydrophobicContact CG2-CG2 3.64Å; G368-T372 WeakPolarHBondContact O-CB 3.26Å; G368-T372 WeakPolarHBondContact O-CG2 3.34Å; G368-T372 PolarHBondContact O-N 2.9Å; G368-T372 PolarHBondContact O-OG1 2.88Å; I369-T372 PolarHBondContact O-OG1 3.2Å; T372-T374 VanDerWaalsContact C-N 3.34Å; T372-T374 PolarHBondContact O-N 2.66Å; T372-M375 WeakPolarHBondContact O-CB 3.49Å; T372-M375 PolarHBondContact O-N 3.49Å; T372-V376 WeakPolarHBondContact O-CG2 3.24Å; T372-V376 PolarHBondContact O-N 3.44Å; T372-L411 HydrophobicContact CG2-CB 3.84Å; T372-F412 WeakPolarHBondContact OG1-CA 3.19Å
373G94.2Very high91.1Very high5 Ų56.2 Ų6.25%0.0524%0.037CC..Hα-helixtrans-60.3-44171.100000111.7I369 V371 V376 L377I369-G373 PolarHBondContact O-N 3.43Å; V371-G373 VanDerWaalsContact C-N 3.31Å; V371-G373 PolarHBondContact O-N 2.8Å; G373-V376 PolarHBondContact O-N 3.15Å; G373-L377 VanDerWaalsContact O-CG 3.28Å; G373-L377 WeakPolarHBondContact O-CG 3.23Å; G373-L377 PolarHBondContact O-N 3.38Å
374T94.1Very high91.6Very high0 Ų07.5 Ų7.50%05%0.045CC..Hα-helixtrans-61.9-43.6173.1-540000111I83 F112 E229 A370 V371 T372 V376 L377 T378I83-T374 HydrophobicContact CD1-CG2 3.62Å; F112-T374 VanDerWaalsContact CB-OG1 3.25Å; F112-T374 WeakPolarHBondContact CB-OG1 3.28Å; E229-T374 HydrophobicContact CG-CG2 3.77Å; A370-T374 WeakPolarHBondContact O-CB 3.2Å; A370-T374 PolarHBondContact O-N 2.49Å; A370-T374 PolarHBondContact O-OG1 3Å; V371-T374 WeakPolarHBondContact O-CA 3.49Å; V371-T374 WeakPolarHBondContact O-CB 3.48Å; V371-T374 PolarHBondContact O-N 2.9Å; V371-T374 VanDerWaalsContact O-N 3.13Å; T372-T374 VanDerWaalsContact C-N 3.34Å; T372-T374 PolarHBondContact O-N 2.66Å; T374-V376 PolarHBondContact O-N 3.45Å; T374-L377 PolarHBondContact O-N 3.48Å; T374-L377 VanDerWaalsContact O-N 3.15Å; T374-T378 WeakPolarHBondContact O-CB 3.45Å; T374-T378 PolarHBondContact O-N 3.34Å; T374-T378 PolarHBondContact O-OG1 3.32Å; T374-T378 VanDerWaalsContact O-OG1 3.09Å
375M95.2Very high92.1Very high1 Ų17.4 Ų7.41%0.0054%0.044CC..Hα-helixtrans-59.2-41.8177.9-70.8175.3175.900113.2V63 K67 Y68 I225 V371 T372 T378 S379V63-M375 HydrophobicContact CG1-CE 4.36Å; V63-M375 HydrophobicContact CG1-SD 4.42Å; K67-M375 PolarHBondContact NZ-O 3.16Å; Y68-M375 HydrophobicContact CE2-CG 4.47Å; Y68-M375 WeakPolarHBondContact OH-CG 3.49Å; I225-M375 HydrophobicContact CD1-CE 3.85Å; I225-M375 HydrophobicContact CD1-SD 4.05Å; I225-M375 HydrophobicContact CG1-CE 4.1Å; V371-M375 HydrophobicContact CG1-CE 3.67Å; V371-M375 HydrophobicContact CG1-SD 4.39Å; V371-M375 WeakPolarHBondContact O-CG 3.35Å; V371-M375 PolarHBondContact O-N 3.27Å; T372-M375 WeakPolarHBondContact O-CB 3.49Å; T372-M375 PolarHBondContact O-N 3.49Å; M375-T378 PolarHBondContact O-N 2.89Å; M375-S379 PolarHBondContact O-N 3.3Å; M375-S379 PolarHBondContact O-OG 3.4Å
376V96.5Very high92.9Very high26 Ų267 Ų716%0.1584%0.04CC..Hα-helixtrans-61.1-47.5174.6171.10000110.3T372 G373 T374 S379 I380 L405 D408 F412T372-V376 WeakPolarHBondContact O-CG2 3.24Å; T372-V376 PolarHBondContact O-N 3.44Å; G373-V376 PolarHBondContact O-N 3.15Å; T374-V376 PolarHBondContact O-N 3.45Å; V376-S379 WeakPolarHBondContact O-CB 2.95Å; V376-S379 PolarHBondContact O-N 3.21Å; V376-I380 HydrophobicContact CG1-CD1 4.2Å; V376-I380 WeakPolarHBondContact O-CG1 3.29Å; V376-I380 PolarHBondContact O-N 2.86Å; V376-L405 HydrophobicContact CG1-CD2 4.05Å; V376-D408 HydrophobicContact CG2-CB 3.63Å; V376-F412 HydrophobicContact CG2-CB 4.23Å
377L96.9Very high93.6Very high22 Ų2211.7 Ų11.712%0.1156%0.058CC..Hα-helixtrans-64.6-41.2179.4-64.2168.4000111.3I83 M105 I108 G373 T374 S379 I380 L381I83-L377 HydrophobicContact CD1-CB 4.22Å; M105-L377 HydrophobicContact CB-CD2 3.92Å; M105-L377 HydrophobicContact CG-CD2 3.97Å; I108-L377 HydrophobicContact CB-CD1 4.08Å; I108-L377 HydrophobicContact CG2-CD1 3.75Å; G373-L377 VanDerWaalsContact O-CG 3.28Å; G373-L377 WeakPolarHBondContact O-CG 3.23Å; G373-L377 PolarHBondContact O-N 3.38Å; T374-L377 PolarHBondContact O-N 3.48Å; T374-L377 VanDerWaalsContact O-N 3.15Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-S379 PolarHBondContact O-N 3.39Å; L377-I380 PolarHBondContact O-N 3.27Å; L377-L381 WeakPolarHBondContact O-CB 3.15Å; L377-L381 VanDerWaalsContact O-CG 3.25Å; L377-L381 WeakPolarHBondContact O-CG 3.09Å; L377-L381 PolarHBondContact O-N 3.02Å
378T96.3Very high94.1Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-59-42.2174.5-66.80000111.3Y68 V72 L86 E229 T374 M375 I380 L381 S382Y68-T378 HydrophobicContact CE1-CG2 4.09Å; V72-T378 HydrophobicContact CG1-CG2 3.79Å; V72-T378 HydrophobicContact CG2-CG2 3.91Å; L86-T378 HydrophobicContact CD2-CG2 3.98Å; E229-T378 PolarHBondContact OE1-OG1 2.87Å; T374-T378 WeakPolarHBondContact O-CB 3.45Å; T374-T378 PolarHBondContact O-N 3.34Å; T374-T378 PolarHBondContact O-OG1 3.32Å; T374-T378 VanDerWaalsContact O-OG1 3.09Å; M375-T378 PolarHBondContact O-N 2.89Å; T378-I380 PolarHBondContact O-N 3.28Å; T378-L381 PolarHBondContact O-N 2.79Å; T378-S382 WeakPolarHBondContact O-CB 3.49Å; T378-S382 PolarHBondContact O-N 2.73Å; T378-S382 PolarHBondContact O-OG 3.46Å
379S96.9Very high94.3Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-61-43.3175.3-69.40000112.6K67 M375 V376 L377 S382 T383 F404 D408K67-S379 WeakPolarHBondContact CE-OG 3.39Å; K67-S379 PolarHBondContact NZ-OG 3.22Å; M375-S379 PolarHBondContact O-N 3.3Å; M375-S379 PolarHBondContact O-OG 3.4Å; V376-S379 WeakPolarHBondContact O-CB 2.95Å; V376-S379 PolarHBondContact O-N 3.21Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-S379 PolarHBondContact O-N 3.39Å; S379-S382 PolarHBondContact O-OG 2.77Å; S379-T383 WeakPolarHBondContact O-CB 3.41Å; S379-T383 VanDerWaalsContact O-CG2 3.24Å; S379-T383 WeakPolarHBondContact O-CG2 3.35Å; S379-T383 PolarHBondContact O-N 2.98Å; S379-T383 PolarHBondContact O-OG1 3.17Å; S379-F404 WeakPolarHBondContact OG-CB 3.34Å; S379-D408 WeakPolarHBondContact CB-OD2 3.18Å; S379-D408 PolarHBondContact OG-OD2 3.28Å
380I96.9Very high94.6Very high45 Ų4519.2 Ų19.223%0.2319%0.091CC..Hα-helixtrans-68.1-45.8178.5-63.1167.1000111M105 V376 L377 T378 T383 T384 L401M105-I380 HydrophobicContact SD-CG2 3.89Å; V376-I380 HydrophobicContact CG1-CD1 4.2Å; V376-I380 WeakPolarHBondContact O-CG1 3.29Å; V376-I380 PolarHBondContact O-N 2.86Å; L377-I380 PolarHBondContact O-N 3.27Å; T378-I380 PolarHBondContact O-N 3.28Å; I380-T383 PolarHBondContact O-OG1 3.21Å; I380-T383 VanDerWaalsContact O-OG1 3.05Å; I380-T384 WeakPolarHBondContact O-CB 3.42Å; I380-T384 PolarHBondContact O-N 3.05Å; I380-T384 VanDerWaalsContact O-N 3.07Å; I380-T384 PolarHBondContact O-OG1 3.24Å; I380-L401 HydrophobicContact CG1-CD1 4.38Å
381L96.5Very high94.6Very high0 Ų025.7 Ų25.70%012%0.121CC..Hα-helixtrans-69-42.7-177-65.4166.6000111.6I83 L86 A90 L102 M105 L377 T378 T384 V385I83-L381 HydrophobicContact CD1-CD1 4.26Å; I83-L381 HydrophobicContact CG1-CD1 3.88Å; L86-L381 HydrophobicContact CD2-CB 3.7Å; L86-L381 HydrophobicContact CG-CB 3.72Å; A90-L381 HydrophobicContact CB-CB 4.42Å; A90-L381 HydrophobicContact CB-CD2 4.06Å; L102-L381 HydrophobicContact CB-CD2 4.14Å; L102-L381 HydrophobicContact CD2-CD2 3.78Å; M105-L381 HydrophobicContact CB-CD2 4.3Å; L377-L381 WeakPolarHBondContact O-CB 3.15Å; L377-L381 VanDerWaalsContact O-CG 3.25Å; L377-L381 WeakPolarHBondContact O-CG 3.09Å; L377-L381 PolarHBondContact O-N 3.02Å; T378-L381 PolarHBondContact O-N 2.79Å; L381-T384 WeakPolarHBondContact O-CB 3.33Å; L381-T384 PolarHBondContact O-N 2.89Å; L381-V385 WeakPolarHBondContact O-CG2 3.45Å; L381-V385 PolarHBondContact O-N 3.22Å
382S95.8Very high94.8Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-67.9-38.9-179.958.90000113.4F71 T378 S379 T384 V385 A386F71-S382 WeakPolarHBondContact CE1-OG 3.36Å; T378-S382 WeakPolarHBondContact O-CB 3.49Å; T378-S382 PolarHBondContact O-N 2.73Å; T378-S382 PolarHBondContact O-OG 3.46Å; S379-S382 PolarHBondContact O-OG 2.77Å; S382-T384 VanDerWaalsContact C-N 3.32Å; S382-V385 WeakPolarHBondContact O-CB 3.27Å; S382-V385 PolarHBondContact O-N 3.2Å; S382-A386 PolarHBondContact O-N 3.43Å
383T96Very high94.8Very high5 Ų533.3 Ų33.33%0.03116%0.157CC..Hα-helixtrans-69.6-31.9173.654.80000112F71 S379 I380 A386 R387 V397 I400 L401F71-T383 HydrophobicContact CE1-CG2 4.14Å; F71-T383 HydrophobicContact CZ-CG2 4.11Å; S379-T383 WeakPolarHBondContact O-CB 3.41Å; S379-T383 VanDerWaalsContact O-CG2 3.24Å; S379-T383 WeakPolarHBondContact O-CG2 3.35Å; S379-T383 PolarHBondContact O-N 2.98Å; S379-T383 PolarHBondContact O-OG1 3.17Å; I380-T383 PolarHBondContact O-OG1 3.21Å; I380-T383 VanDerWaalsContact O-OG1 3.05Å; T383-A386 PolarHBondContact O-N 3.47Å; T383-R387 PolarHBondContact O-N 3.07Å; T383-V397 HydrophobicContact CG2-CG1 4.46Å; T383-V397 WeakPolarHBondContact O-CG1 3.49Å; T383-I400 HydrophobicContact CG2-CG2 4.11Å; T383-L401 HydrophobicContact CG2-CB 3.94Å; T383-L401 HydrophobicContact CG2-CD1 4.12Å
384T95.3Very high94.8Very high27 Ų2738.5 Ų38.517%0.16618%0.178CC..Hα-helixtrans-62.2-44.3170.1-590000111.4A90 L102 I380 L381 S382 A386 R387 Q388A90-T384 HydrophobicContact CB-CG2 4.11Å; L102-T384 HydrophobicContact CD1-CG2 3.87Å; L102-T384 HydrophobicContact CD2-CG2 4.05Å; I380-T384 WeakPolarHBondContact O-CB 3.42Å; I380-T384 PolarHBondContact O-N 3.05Å; I380-T384 VanDerWaalsContact O-N 3.07Å; I380-T384 PolarHBondContact O-OG1 3.24Å; L381-T384 WeakPolarHBondContact O-CB 3.33Å; L381-T384 PolarHBondContact O-N 2.89Å; S382-T384 VanDerWaalsContact C-N 3.32Å; T384-A386 PolarHBondContact O-N 2.88Å; T384-R387 PolarHBondContact O-N 2.92Å; T384-Q388 HydrophobicContact CG2-CG 4.14Å; T384-Q388 WeakPolarHBondContact O-CB 3.48Å; T384-Q388 WeakPolarHBondContact O-CG 3.24Å; T384-Q388 PolarHBondContact O-N 3.36Å
385V94.9Very high94.8Very high1 Ų146.2 Ų46.21%0.00621%0.208CC..Hα-helixtrans-59-45.9172.9172.90000111.3A75 L86 L89 A90 L381 S382 R387 Q388 N389 W390A75-V385 HydrophobicContact CB-CB 4.46Å; A75-V385 HydrophobicContact CB-CG1 4.04Å; L86-V385 HydrophobicContact CD1-CG2 3.96Å; L89-V385 HydrophobicContact CB-CG2 3.71Å; A90-V385 HydrophobicContact CB-CG2 3.88Å; L381-V385 WeakPolarHBondContact O-CG2 3.45Å; L381-V385 PolarHBondContact O-N 3.22Å; S382-V385 WeakPolarHBondContact O-CB 3.27Å; S382-V385 PolarHBondContact O-N 3.2Å; V385-R387 VanDerWaalsContact C-N 3.26Å; V385-R387 PolarHBondContact O-N 3.05Å; V385-Q388 PolarHBondContact O-N 3.36Å; V385-N389 HydrophobicContact CG1-CB 4.13Å; V385-N389 WeakPolarHBondContact O-CA 3.2Å; V385-N389 WeakPolarHBondContact O-CB 3.21Å; V385-N389 PolarHBondContact O-N 3.26Å; V385-W390 HydrophobicContact CG1-CZ2 4.04Å; V385-W390 PolarHBondContact O-N 3.13Å
386A95.3Very high94.9Very high0 Ų051 Ų510%023%0.229CC..Hα-helixtrans-59.5-37.4178.300000112.5F71 S382 T383 T384 W390 H391 W392 V397F71-A386 HydrophobicContact CE2-CB 4.16Å; F71-A386 HydrophobicContact CZ-CB 3.89Å; S382-A386 PolarHBondContact O-N 3.43Å; T383-A386 PolarHBondContact O-N 3.47Å; T384-A386 PolarHBondContact O-N 2.88Å; A386-W390 HydrophobicContact CB-CD2 4.41Å; A386-W390 HydrophobicContact CB-CE3 3.59Å; A386-W390 HydrophobicContact CB-CZ3 3.88Å; A386-W390 CarbonylContact O-C 3.27Å; A386-W390 WeakPolarHBondContact O-CB 3.08Å; A386-H391 PolarHBondContact O-N 3.1Å; A386-W392 HydrophobicContact CB-CD2 4.34Å; A386-W392 HydrophobicContact CB-CE3 4.05Å; A386-W392 WeakPolarHBondContact O-CB 3.5Å; A386-W392 PolarHBondContact O-N 2.74Å; A386-V397 HydrophobicContact CB-CG2 4.22Å
387R94.5Very high94.8Very high100 Ų10050.4 Ų50.438%0.37723%0.226SC..Hα-helixtrans-73.8-47177.9179.261.6-173.3103.8-0.8113.3T383 T384 V385 V397T383-R387 PolarHBondContact O-N 3.07Å; T384-R387 PolarHBondContact O-N 2.92Å; V385-R387 VanDerWaalsContact C-N 3.26Å; V385-R387 PolarHBondContact O-N 3.05Å; R387-V397 HydrophobicContact CB-CG1 4.29Å; R387-V397 HydrophobicContact CB-CG2 4.34Å
388Q91.8Very high94.8Very high64 Ų6451.4 Ų51.430%0.29924%0.237SC..Hα-helixtrans-93.8-32.5-166.8-58.3-63.52.100113.6T94 T384 V385 H391T94-Q388 HydrophobicContact CG2-CB 4.43Å; T94-Q388 HydrophobicContact CG2-CG 3.84Å; T384-Q388 HydrophobicContact CG2-CG 4.14Å; T384-Q388 WeakPolarHBondContact O-CB 3.48Å; T384-Q388 WeakPolarHBondContact O-CG 3.24Å; T384-Q388 PolarHBondContact O-N 3.36Å; V385-Q388 PolarHBondContact O-N 3.36Å; Q388-H391 PolarHBondContact O-CE1 3.46Å
389N90.4Very high94.8Very high36 Ų3656.6 Ų56.619%0.19326%0.264CS..THydrogen-bonded Turntrans-105.4-34.6-176.2-61.5-9.9000112.5L89 R92 V385L89-N389 PolarHBondContact O-ND2 2.93Å; R92-N389 PolarHBondContact O-OD1 2.85Å; V385-N389 HydrophobicContact CG1-CB 4.13Å; V385-N389 WeakPolarHBondContact O-CA 3.2Å; V385-N389 WeakPolarHBondContact O-CB 3.21Å; V385-N389 PolarHBondContact O-N 3.26Å
390W93.8Very high94.8Very high65 Ų6557.9 Ų57.925%0.24627%0.271CS..SBendtrans-94.8-4.9176.6-52.9-20.6000113.4F71 R74 A75 V385 A386 W392F71-W390 HydrophobicContact CD2-CZ3 4.4Å; F71-W390 AromaticContact CE2-CZ3 3.94Å; F71-W390 HydrophobicContact CE2-CZ3 3.94Å; F71-W390 HydrophobicContact CZ-CZ3 4.35Å; R74-W390 VanDerWaalsContact C-CZ2 3.42Å; R74-W390 HydrophobicContact CB-CH2 3.43Å; R74-W390 VanDerWaalsContact CB-CH2 3.43Å; R74-W390 HydrophobicContact CB-CZ2 3.71Å; R74-W390 HydrophobicContact CB-CZ3 4.27Å; R74-W390 WeakPolarHBondContact O-CZ2 3.47Å; A75-W390 HydrophobicContact CB-CH2 4.12Å; A75-W390 HydrophobicContact CB-CZ2 3.87Å; V385-W390 HydrophobicContact CG1-CZ2 4.04Å; V385-W390 PolarHBondContact O-N 3.13Å; A386-W390 HydrophobicContact CB-CD2 4.41Å; A386-W390 HydrophobicContact CB-CE3 3.59Å; A386-W390 HydrophobicContact CB-CZ3 3.88Å; A386-W390 CarbonylContact O-C 3.27Å; A386-W390 WeakPolarHBondContact O-CB 3.08Å; W390-W392 HydrophobicContact CB-CG 4.29Å; W390-W392 HydrophobicContact CE3-CD2 4.17Å; W390-W392 AromaticContact CE3-CE2 3.77Å; W390-W392 HydrophobicContact CE3-CE3 4.46Å; W390-W392 HydrophobicContact CE3-CH2 4.03Å; W390-W392 AromaticContact CE3-CZ2 3.69Å; W390-W392 HydrophobicContact CE3-CZ2 3.69Å; W390-W392 HydrophobicContact CE3-CZ3 4.41Å; W390-W392 HydrophobicContact CZ3-CH2 4.06Å; W390-W392 HydrophobicContact CZ3-CZ2 4.12Å; W390-W392 HydrophobicContact CZ3-CZ3 4.46Å; W390-W392 VanDerWaalsContact O-CD1 3.28Å; W390-W392 PolarHBondContact O-N 3.47Å
391H91.1Very high94.8Very high139 Ų13957.9 Ų57.964%0.64427%0.271SS*.  trans54.631.1179.4-53.7-63.6000114.4A386 Q388A386-H391 PolarHBondContact O-N 3.1Å; Q388-H391 PolarHBondContact O-CE1 3.46Å
392W94.4Very high94.9Very high64 Ų6463.3 Ų63.324%0.24230%0.299CS..  trans-66.8153.5176.7-70.67.8000111.8F71 A386 W390 K394 F396 V397 I400F71-W392 HydrophobicContact CD2-CH2 4.32Å; F71-W392 HydrophobicContact CD2-CZ3 4.1Å; F71-W392 HydrophobicContact CE2-CE3 4.36Å; F71-W392 HydrophobicContact CE2-CH2 4.13Å; F71-W392 AromaticContact CE2-CZ3 3.59Å; F71-W392 HydrophobicContact CE2-CZ3 3.59Å; A386-W392 HydrophobicContact CB-CD2 4.34Å; A386-W392 HydrophobicContact CB-CE3 4.05Å; A386-W392 WeakPolarHBondContact O-CB 3.5Å; A386-W392 PolarHBondContact O-N 2.74Å; W390-W392 HydrophobicContact CB-CG 4.29Å; W390-W392 HydrophobicContact CE3-CD2 4.17Å; W390-W392 AromaticContact CE3-CE2 3.77Å; W390-W392 HydrophobicContact CE3-CE3 4.46Å; W390-W392 HydrophobicContact CE3-CH2 4.03Å; W390-W392 AromaticContact CE3-CZ2 3.69Å; W390-W392 HydrophobicContact CE3-CZ2 3.69Å; W390-W392 HydrophobicContact CE3-CZ3 4.41Å; W390-W392 HydrophobicContact CZ3-CH2 4.06Å; W390-W392 HydrophobicContact CZ3-CZ2 4.12Å; W390-W392 HydrophobicContact CZ3-CZ3 4.46Å; W390-W392 VanDerWaalsContact O-CD1 3.28Å; W390-W392 PolarHBondContact O-N 3.47Å; W392-K394 PolarHBondContact O-N 3.43Å; W392-F396 HydrophobicContact CD2-CD1 4.49Å; W392-F396 HydrophobicContact CD2-CE1 4.49Å; W392-F396 AromaticContact CE3-CD1 3.79Å; W392-F396 HydrophobicContact CE3-CD1 3.79Å; W392-F396 AromaticContact CE3-CE1 3.65Å; W392-F396 HydrophobicContact CE3-CE1 3.65Å; W392-F396 HydrophobicContact CZ3-CD1 4.29Å; W392-F396 AromaticContact CZ3-CE1 3.69Å; W392-F396 HydrophobicContact CZ3-CE1 3.69Å; W392-V397 HydrophobicContact CB-CG2 3.77Å; W392-I400 HydrophobicContact CE3-CD1 4.33Å; W392-I400 HydrophobicContact CZ3-CD1 3.93Å
393N94.4Very high94.9Very high100 Ų10065.3 Ų65.354%0.53532%0.315SS..  trans-58.3131.8179.5-177.2-5.6000111.1Y395 F396 V397N393-Y395 PolarHBondContact O-N 3.36Å; N393-Y395 WeakPolarHBondContact OD1-CD2 3.44Å; N393-Y395 PolarHBondContact OD1-N 3.5Å; N393-F396 HydrophobicContact CB-CB 4.26Å; N393-F396 WeakPolarHBondContact O-CB 3.43Å; N393-F396 PolarHBondContact O-N 3.05Å; N393-V397 PolarHBondContact O-N 3.37Å
394K93.7Very high95Very high113 Ų11365.5 Ų65.549%0.49132%0.316SS..Hα-helixtrans-53.7-37.7-178.667.3177.8-174.8171.90113.5W392 A398W392-K394 PolarHBondContact O-N 3.43Å; K394-A398 WeakPolarHBondContact O-CB 3.45Å; K394-A398 PolarHBondContact O-N 3.16Å
395Y95.4Very high95.1Very high162 Ų16265.9 Ų65.964%0.63532%0.316SS*.Hα-helixtrans-71.1-38.5-179.4-59.7-66.4000111.5N393 A398 L399N393-Y395 PolarHBondContact O-N 3.36Å; N393-Y395 WeakPolarHBondContact OD1-CD2 3.44Å; N393-Y395 PolarHBondContact OD1-N 3.5Å; Y395-A398 PolarHBondContact O-N 3.49Å; Y395-L399 WeakPolarHBondContact O-CB 3.34Å; Y395-L399 PolarHBondContact O-N 2.9Å
396F96Very high95.1Very high102 Ų10270.1 Ų70.145%0.44735%0.345SS..Hα-helixtrans-68.1-42.1176.6-174.6-116.1000111.6W392 N393 L399 I400W392-F396 HydrophobicContact CD2-CD1 4.49Å; W392-F396 HydrophobicContact CD2-CE1 4.49Å; W392-F396 AromaticContact CE3-CD1 3.79Å; W392-F396 HydrophobicContact CE3-CD1 3.79Å; W392-F396 AromaticContact CE3-CE1 3.65Å; W392-F396 HydrophobicContact CE3-CE1 3.65Å; W392-F396 HydrophobicContact CZ3-CD1 4.29Å; W392-F396 AromaticContact CZ3-CE1 3.69Å; W392-F396 HydrophobicContact CZ3-CE1 3.69Å; N393-F396 HydrophobicContact CB-CB 4.26Å; N393-F396 WeakPolarHBondContact O-CB 3.43Å; N393-F396 PolarHBondContact O-N 3.05Å; F396-L399 PolarHBondContact O-N 3.4Å; F396-I400 HydrophobicContact CD1-CD1 3.95Å; F396-I400 HydrophobicContact CE1-CD1 3.53Å; F396-I400 HydrophobicContact CE2-CD1 4.36Å; F396-I400 HydrophobicContact CZ-CD1 3.75Å; F396-I400 HydrophobicContact CZ-CG1 4.44Å; F396-I400 WeakPolarHBondContact O-CG1 3.39Å; F396-I400 PolarHBondContact O-N 2.92Å
397V96Very high95.1Very high13 Ų1371.9 Ų71.98%0.07936%0.356CS..Hα-helixtrans-63.2-42.8174.2177.30000111.3T383 A386 R387 W392 N393 L399 I400 L401T383-V397 HydrophobicContact CG2-CG1 4.46Å; T383-V397 WeakPolarHBondContact O-CG1 3.49Å; A386-V397 HydrophobicContact CB-CG2 4.22Å; R387-V397 HydrophobicContact CB-CG1 4.29Å; R387-V397 HydrophobicContact CB-CG2 4.34Å; W392-V397 HydrophobicContact CB-CG2 3.77Å; N393-V397 PolarHBondContact O-N 3.37Å; V397-L399 VanDerWaalsContact C-N 3.33Å; V397-L399 PolarHBondContact O-N 3.08Å; V397-I400 PolarHBondContact O-N 3.23Å; V397-L401 WeakPolarHBondContact O-CB 3.46Å; V397-L401 PolarHBondContact O-N 3.39Å
398A96.2Very high95.1Very high43 Ų4367.1 Ų67.136%0.35534%0.338SS..Hα-helixtrans-61.8-41.1176.500000112K394 Y395 L401 I402K394-A398 WeakPolarHBondContact O-CB 3.45Å; K394-A398 PolarHBondContact O-N 3.16Å; Y395-A398 PolarHBondContact O-N 3.49Å; A398-L401 PolarHBondContact O-N 3.36Å; A398-I402 WeakPolarHBondContact O-CB 3.45Å; A398-I402 WeakPolarHBondContact O-CD1 3.27Å; A398-I402 VanDerWaalsContact O-CG1 3.29Å; A398-I402 WeakPolarHBondContact O-CG1 3.27Å; A398-I402 PolarHBondContact O-N 2.88Å
399L96.9Very high95.3Very high110 Ų11068 Ų6858%0.57634%0.344SS*.Hα-helixtrans-60.8-46.9175.7-17966.7000111.7Y395 F396 V397 I402 A403Y395-L399 WeakPolarHBondContact O-CB 3.34Å; Y395-L399 PolarHBondContact O-N 2.9Å; F396-L399 PolarHBondContact O-N 3.4Å; V397-L399 VanDerWaalsContact C-N 3.33Å; V397-L399 PolarHBondContact O-N 3.08Å; L399-I402 PolarHBondContact O-N 2.78Å; L399-A403 WeakPolarHBondContact O-CB 3.46Å; L399-A403 PolarHBondContact O-N 2.82Å
400I96.3Very high95.5Very high26 Ų2668.2 Ų68.213%0.13335%0.348CS..Hα-helixtrans-61.8-45.3176.6-68.8172.2000110.9F71 T383 W392 F396 V397 I402 A403 F404F71-I400 HydrophobicContact CD2-CD1 4.5Å; F71-I400 HydrophobicContact CE1-CG2 4.39Å; F71-I400 HydrophobicContact CE2-CD1 4.09Å; F71-I400 HydrophobicContact CE2-CG2 4.24Å; F71-I400 HydrophobicContact CZ-CG2 4.14Å; T383-I400 HydrophobicContact CG2-CG2 4.11Å; W392-I400 HydrophobicContact CE3-CD1 4.33Å; W392-I400 HydrophobicContact CZ3-CD1 3.93Å; F396-I400 HydrophobicContact CD1-CD1 3.95Å; F396-I400 HydrophobicContact CE1-CD1 3.53Å; F396-I400 HydrophobicContact CE2-CD1 4.36Å; F396-I400 HydrophobicContact CZ-CD1 3.75Å; F396-I400 HydrophobicContact CZ-CG1 4.44Å; F396-I400 WeakPolarHBondContact O-CG1 3.39Å; F396-I400 PolarHBondContact O-N 2.92Å; V397-I400 PolarHBondContact O-N 3.23Å; I400-I402 PolarHBondContact O-N 3.36Å; I400-A403 PolarHBondContact O-N 3.43Å; I400-F404 HydrophobicContact CG2-CD2 3.82Å; I400-F404 HydrophobicContact CG2-CE1 4.38Å; I400-F404 HydrophobicContact CG2-CE2 3.34Å; I400-F404 HydrophobicContact CG2-CZ 3.67Å; I400-F404 WeakPolarHBondContact O-CG 3.5Å; I400-F404 PolarHBondContact O-N 3.31Å
401L97.4Very high95.5Very high46 Ų4665.3 Ų65.324%0.24134%0.337CS..Hα-helixtrans-60.4-46.7178.9-179.460000111.2I380 T383 V397 A398 A403 F404 L405I380-L401 HydrophobicContact CG1-CD1 4.38Å; T383-L401 HydrophobicContact CG2-CB 3.94Å; T383-L401 HydrophobicContact CG2-CD1 4.12Å; V397-L401 WeakPolarHBondContact O-CB 3.46Å; V397-L401 PolarHBondContact O-N 3.39Å; A398-L401 PolarHBondContact O-N 3.36Å; L401-A403 VanDerWaalsContact C-N 3.34Å; L401-A403 PolarHBondContact O-N 3.5Å; L401-F404 PolarHBondContact O-N 3.43Å; L401-L405 HydrophobicContact CD1-CD1 3.67Å; L401-L405 HydrophobicContact CD1-CD2 4.43Å; L401-L405 HydrophobicContact CD1-CG 3.79Å; L401-L405 HydrophobicContact CD2-CD1 4.48Å; L401-L405 HydrophobicContact CG-CD1 3.83Å; L401-L405 HydrophobicContact CG-CG 4.26Å; L401-L405 WeakPolarHBondContact O-CB 2.94Å; L401-L405 VanDerWaalsContact O-CG 3.31Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.07Å
402I97.6Very high95.6Very high114 Ų11461.6 Ų61.659%0.58532%0.319SS*.Hα-helixtrans-61-45176.8-71.3160.9000110.2A398 L399 I400 F404 L405 C406A398-I402 WeakPolarHBondContact O-CB 3.45Å; A398-I402 WeakPolarHBondContact O-CD1 3.27Å; A398-I402 VanDerWaalsContact O-CG1 3.29Å; A398-I402 WeakPolarHBondContact O-CG1 3.27Å; A398-I402 PolarHBondContact O-N 2.88Å; L399-I402 PolarHBondContact O-N 2.78Å; I400-I402 PolarHBondContact O-N 3.36Å; I402-F404 VanDerWaalsContact C-N 3.35Å; I402-F404 PolarHBondContact O-N 3.06Å; I402-L405 PolarHBondContact O-N 3.18Å; I402-C406 WeakPolarHBondContact O-CB 3.08Å; I402-C406 PolarHBondContact O-N 2.9Å
403A96.7Very high95.5Very high41 Ų4161.1 Ų61.134%0.33932%0.323SS..Hα-helixtrans-58.6-45.3178.500000111.9F62 L399 I400 L401F62-A403 HydrophobicContact CZ-CB 4.35Å; F62-A403 WeakPolarHBondContact CZ-O 3Å; L399-A403 WeakPolarHBondContact O-CB 3.46Å; L399-A403 PolarHBondContact O-N 2.82Å; I400-A403 PolarHBondContact O-N 3.43Å; L401-A403 VanDerWaalsContact C-N 3.34Å; L401-A403 PolarHBondContact O-N 3.5Å
404F97Very high95.3Very high9 Ų956.4 Ų56.44%0.03930%0.298CS..Hα-helixtrans-69.7-46.1178-64.4-20.8000112.8F62 K67 F71 S379 I400 L401 I402 C406 V407 D408F62-F404 AromaticContact CE1-CD1 3.97Å; F62-F404 HydrophobicContact CE1-CD1 3.97Å; F62-F404 AromaticContact CZ-CD1 3.76Å; F62-F404 HydrophobicContact CZ-CD1 3.76Å; F62-F404 HydrophobicContact CZ-CE1 4.28Å; K67-F404 HydrophobicContact CB-CD1 3.96Å; K67-F404 HydrophobicContact CB-CE1 3.56Å; K67-F404 HydrophobicContact CB-CE2 4.44Å; K67-F404 HydrophobicContact CB-CZ 3.83Å; K67-F404 HydrophobicContact CD-CB 4.48Å; K67-F404 HydrophobicContact CD-CD1 4.18Å; K67-F404 HydrophobicContact CD-CD2 4.4Å; K67-F404 HydrophobicContact CD-CG 4.12Å; K67-F404 HydrophobicContact CG-CD1 4.05Å; K67-F404 HydrophobicContact CG-CD2 4.13Å; K67-F404 HydrophobicContact CG-CE1 3.92Å; K67-F404 HydrophobicContact CG-CE2 4Å; K67-F404 HydrophobicContact CG-CG 4.17Å; K67-F404 HydrophobicContact CG-CZ 3.89Å; F71-F404 HydrophobicContact CB-CE2 4.46Å; F71-F404 HydrophobicContact CB-CZ 4.1Å; F71-F404 AromaticContact CD1-CE2 3.5Å; F71-F404 HydrophobicContact CD1-CE2 3.5Å; F71-F404 VanDerWaalsContact CD1-CE2 3.5Å; F71-F404 AromaticContact CD1-CZ 4Å; F71-F404 HydrophobicContact CD1-CZ 4Å; F71-F404 AromaticContact CE1-CE2 3.82Å; F71-F404 HydrophobicContact CE1-CE2 3.82Å; F71-F404 HydrophobicContact CG-CE2 4.05Å; F71-F404 HydrophobicContact CG-CZ 4.11Å; S379-F404 WeakPolarHBondContact OG-CB 3.34Å; I400-F404 HydrophobicContact CG2-CD2 3.82Å; I400-F404 HydrophobicContact CG2-CE1 4.38Å; I400-F404 HydrophobicContact CG2-CE2 3.34Å; I400-F404 HydrophobicContact CG2-CZ 3.67Å; I400-F404 WeakPolarHBondContact O-CG 3.5Å; I400-F404 PolarHBondContact O-N 3.31Å; L401-F404 PolarHBondContact O-N 3.43Å; I402-F404 VanDerWaalsContact C-N 3.35Å; I402-F404 PolarHBondContact O-N 3.06Å; F404-C406 VanDerWaalsContact C-N 3.26Å; F404-C406 PolarHBondContact O-N 3.41Å; F404-V407 PolarHBondContact O-N 3.18Å; F404-D408 VanDerWaalsContact O-CG 3.29Å; F404-D408 PolarHBondContact O-N 3.18Å
405L97Very high95.1Very high35 Ų3551 Ų5118%0.18327%0.274CS..Hα-helixtrans-67.3-27.7-179.4-68.6-176.3000112.9V376 L401 I402 V407 I409V376-L405 HydrophobicContact CG1-CD2 4.05Å; L401-L405 HydrophobicContact CD1-CD1 3.67Å; L401-L405 HydrophobicContact CD1-CD2 4.43Å; L401-L405 HydrophobicContact CD1-CG 3.79Å; L401-L405 HydrophobicContact CD2-CD1 4.48Å; L401-L405 HydrophobicContact CG-CD1 3.83Å; L401-L405 HydrophobicContact CG-CG 4.26Å; L401-L405 WeakPolarHBondContact O-CB 2.94Å; L401-L405 VanDerWaalsContact O-CG 3.31Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.07Å; I402-L405 PolarHBondContact O-N 3.18Å; L405-V407 PolarHBondContact O-N 2.95Å; L405-I409 HydrophobicContact CB-CD1 3.93Å; L405-I409 HydrophobicContact CB-CG1 4.28Å; L405-I409 HydrophobicContact CD2-CD1 4.45Å; L405-I409 HydrophobicContact CD2-CG1 4.38Å; L405-I409 VanDerWaalsContact O-CB 3.26Å; L405-I409 WeakPolarHBondContact O-CB 3.26Å; L405-I409 WeakPolarHBondContact O-CG1 3.31Å; L405-I409 PolarHBondContact O-N 2.82Å
406C95.8Very high94.8Very high91 Ų9146.8 Ų46.862%0.61526%0.262SS*.Hα-helixtrans-61-24.5172.6-168.30000112.4I402 F404 P410I402-C406 WeakPolarHBondContact O-CB 3.08Å; I402-C406 PolarHBondContact O-N 2.9Å; F404-C406 VanDerWaalsContact C-N 3.26Å; F404-C406 PolarHBondContact O-N 3.41Å; C406-P410 WeakPolarHBondContact O-CD 3.41Å; C406-P410 WeakPolarHBondContact O-CG 3.36Å
407V94.7Very high94.1Very high37 Ų3746.8 Ų46.822%0.22427%0.267CS..Hα-helixtrans-98.6-47.2175178.40000111.1L59 F62 V63 F404 L405 I409 P410 L411L59-V407 HydrophobicContact CD2-CG1 3.67Å; F62-V407 HydrophobicContact CD1-CB 4.09Å; F62-V407 HydrophobicContact CD1-CG1 4.17Å; F62-V407 HydrophobicContact CD1-CG2 3.69Å; F62-V407 HydrophobicContact CE1-CB 3.82Å; F62-V407 HydrophobicContact CE1-CG1 4.39Å; F62-V407 HydrophobicContact CE1-CG2 3.43Å; F62-V407 VanDerWaalsContact CE1-CG2 3.43Å; F62-V407 HydrophobicContact CZ-CG2 4.11Å; V63-V407 HydrophobicContact CG2-CG1 4.12Å; F404-V407 PolarHBondContact O-N 3.18Å; L405-V407 PolarHBondContact O-N 2.95Å; V407-I409 PolarHBondContact O-N 3.37Å; V407-P410 WeakPolarHBondContact O-CD 3.28Å; V407-L411 HydrophobicContact CG1-CD1 3.78Å; V407-L411 HydrophobicContact CG1-CG 4.44Å; V407-L411 VanDerWaalsContact O-CG 3.27Å; V407-L411 WeakPolarHBondContact O-CG 3.36Å; V407-L411 PolarHBondContact O-N 2.85Å
408D95.7Very high93.4Very high0 Ų047 Ų470%027%0.267CS..Hα-helixtrans-65.5-39.5-174.8-61.6-28.9000112.8K67 V376 S379 F404 L411 F412K67-D408 IonicContact NZ-OD1 3.74Å; K67-D408 PolarHBondContact NZ-OD1 2.97Å; K67-D408 IonicContact NZ-OD2 3.84Å; K67-D408 PolarHBondContact NZ-OD2 2.87Å; V376-D408 HydrophobicContact CG2-CB 3.63Å; S379-D408 WeakPolarHBondContact CB-OD2 3.18Å; S379-D408 PolarHBondContact OG-OD2 3.28Å; F404-D408 VanDerWaalsContact O-CG 3.29Å; F404-D408 PolarHBondContact O-N 3.18Å; D408-L411 PolarHBondContact O-N 3.37Å; D408-F412 WeakPolarHBondContact O-CB 3.19Å; D408-F412 PolarHBondContact O-N 3.47Å
409I95.5Very high92.8Very high81 Ų8148.1 Ų48.142%0.41527%0.267SS..Hα-helixtrans-67.5-47.4-177.7-66.4174.7000111.4L405 V407 L411 F412 T413L405-I409 HydrophobicContact CB-CD1 3.93Å; L405-I409 HydrophobicContact CB-CG1 4.28Å; L405-I409 HydrophobicContact CD2-CD1 4.45Å; L405-I409 HydrophobicContact CD2-CG1 4.38Å; L405-I409 VanDerWaalsContact O-CB 3.26Å; L405-I409 WeakPolarHBondContact O-CB 3.26Å; L405-I409 WeakPolarHBondContact O-CG1 3.31Å; L405-I409 PolarHBondContact O-N 2.82Å; V407-I409 PolarHBondContact O-N 3.37Å; I409-L411 VanDerWaalsContact C-N 3.35Å; I409-L411 PolarHBondContact O-N 3.33Å; I409-F412 PolarHBondContact O-N 2.91Å; I409-T413 VanDerWaalsContact O-CB 3.31Å; I409-T413 WeakPolarHBondContact O-CB 3.41Å; I409-T413 PolarHBondContact O-N 3.42Å; I409-T413 PolarHBondContact O-OG1 3.13Å
410P94Very high92Very high42 Ų4250.7 Ų50.727%0.27328%0.28SS..Hα-helixtrans-57.3-43.9171.9-31.239.5000113.4F215 L218 C406 V407 F412 T413 A414F215-P410 HydrophobicContact CE2-CB 4.07Å; L218-P410 HydrophobicContact CD1-CB 4.43Å; C406-P410 WeakPolarHBondContact O-CD 3.41Å; C406-P410 WeakPolarHBondContact O-CG 3.36Å; V407-P410 WeakPolarHBondContact O-CD 3.28Å; P410-F412 PolarHBondContact O-N 3.22Å; P410-T413 PolarHBondContact O-N 3.23Å; P410-A414 VanDerWaalsContact O-CB 3.28Å; P410-A414 WeakPolarHBondContact O-CB 3.41Å; P410-A414 PolarHBondContact O-N 2.98Å
411L93.4Very high91.2Very high4 Ų452.7 Ų52.72%0.02130%0.296CS..Hα-helixtrans-62-43177.1-66.5170.6000111.9L59 L218 V222 I225 T372 V407 D408 I409 N415L59-L411 HydrophobicContact CD1-CD2 4.07Å; L59-L411 HydrophobicContact CD2-CD1 3.9Å; L59-L411 HydrophobicContact CD2-CD2 4.37Å; L218-L411 HydrophobicContact CB-CD2 4.28Å; V222-L411 HydrophobicContact CG2-CB 3.96Å; V222-L411 HydrophobicContact CG2-CD2 3.64Å; V222-L411 HydrophobicContact CG2-CG 4.25Å; I225-L411 HydrophobicContact CD1-CD1 4.15Å; T372-L411 HydrophobicContact CG2-CB 3.84Å; V407-L411 HydrophobicContact CG1-CD1 3.78Å; V407-L411 HydrophobicContact CG1-CG 4.44Å; V407-L411 VanDerWaalsContact O-CG 3.27Å; V407-L411 WeakPolarHBondContact O-CG 3.36Å; V407-L411 PolarHBondContact O-N 2.85Å; D408-L411 PolarHBondContact O-N 3.37Å; I409-L411 VanDerWaalsContact C-N 3.35Å; I409-L411 PolarHBondContact O-N 3.33Å; L411-N415 PolarHBondContact O-N 3.18Å; L411-N415 PolarHBondContact O-ND2 2.92Å
412F93.6Very high90.5Very high61 Ų6150.6 Ų50.627%0.26829%0.285SS..Hα-helixtrans-63.8-47.5176.7176.9-106.4000111.8I369 T372 V376 D408 I409 P410 A414 N415 L416I369-F412 HydrophobicContact CG2-CD2 4.49Å; I369-F412 HydrophobicContact CG2-CE2 3.85Å; T372-F412 WeakPolarHBondContact OG1-CA 3.19Å; V376-F412 HydrophobicContact CG2-CB 4.23Å; D408-F412 WeakPolarHBondContact O-CB 3.19Å; D408-F412 PolarHBondContact O-N 3.47Å; I409-F412 PolarHBondContact O-N 2.91Å; P410-F412 PolarHBondContact O-N 3.22Å; F412-A414 PolarHBondContact O-N 2.99Å; F412-N415 PolarHBondContact O-N 3.01Å; F412-N415 VanDerWaalsContact O-N 3.13Å; F412-L416 HydrophobicContact CE1-CD1 4.28Å; F412-L416 HydrophobicContact CE1-CD2 4.03Å; F412-L416 HydrophobicContact CE1-CG 4.39Å; F412-L416 HydrophobicContact CE2-CD2 4.46Å; F412-L416 HydrophobicContact CZ-CD2 3.91Å; F412-L416 PolarHBondContact O-N 2.65Å
413T92.8Very high89.8Confident54 Ų5445.1 Ų45.133%0.33126%0.258SS..Hα-helixtrans-65.4-39.6-177.6-53.10000111.4F215 I409 P410 N415 L416F215-T413 HydrophobicContact CE1-CG2 3.96Å; F215-T413 HydrophobicContact CZ-CG2 3.71Å; I409-T413 VanDerWaalsContact O-CB 3.31Å; I409-T413 WeakPolarHBondContact O-CB 3.41Å; I409-T413 PolarHBondContact O-N 3.42Å; I409-T413 PolarHBondContact O-OG1 3.13Å; P410-T413 PolarHBondContact O-N 3.23Å; T413-N415 PolarHBondContact O-N 3.43Å; T413-L416 HydrophobicContact CG2-CD1 4.41Å; T413-L416 WeakPolarHBondContact O-CB 3.48Å; T413-L416 PolarHBondContact O-N 2.86Å
414A90.4Very high89.5Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-60.5-29174.500000113.5F215 L218 P410 F412F215-A414 HydrophobicContact CD1-CB 4.37Å; F215-A414 HydrophobicContact CE1-CB 4.2Å; F215-A414 WeakPolarHBondContact O-CB 3.34Å; L218-A414 HydrophobicContact CB-CB 3.76Å; P410-A414 VanDerWaalsContact O-CB 3.28Å; P410-A414 WeakPolarHBondContact O-CB 3.41Å; P410-A414 PolarHBondContact O-N 2.98Å; F412-A414 PolarHBondContact O-N 2.99Å
415N88.8Confident89.2Confident0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-83.2-13.1176.7-78.5-79.3000113.2G219 Y367 I369 L411 F412 T413 D417 K418G219-N415 WeakPolarHBondContact CA-OD1 3.24Å; G219-N415 PolarHBondContact O-OD1 3.09Å; Y367-N415 PolarHBondContact O-OD1 3.48Å; I369-N415 HydrophobicContact CB-CB 4.45Å; I369-N415 VanDerWaalsContact CD1-O 3.26Å; I369-N415 WeakPolarHBondContact CD1-O 3.34Å; I369-N415 HydrophobicContact CG1-CB 3.7Å; I369-N415 WeakPolarHBondContact CG1-O 3.49Å; L411-N415 PolarHBondContact O-N 3.18Å; L411-N415 PolarHBondContact O-ND2 2.92Å; F412-N415 PolarHBondContact O-N 3.01Å; F412-N415 VanDerWaalsContact O-N 3.13Å; T413-N415 PolarHBondContact O-N 3.43Å; N415-D417 VanDerWaalsContact C-N 3.28Å; N415-D417 PolarHBondContact O-N 3.48Å; N415-K418 WeakPolarHBondContact O-CB 3.48Å; N415-K418 PolarHBondContact O-N 3.43Å; N415-K418 VanDerWaalsContact O-N 3.12Å
416L88.5Confident88.9Confident73 Ų7349 Ų4938%0.38226%0.262SS..Hα-helixtrans-64.6-32.2-179.9-67.8177.6000112.5I369 F412 T413 K418 L419I369-L416 HydrophobicContact CG2-CD2 4.5Å; F412-L416 HydrophobicContact CE1-CD1 4.28Å; F412-L416 HydrophobicContact CE1-CD2 4.03Å; F412-L416 HydrophobicContact CE1-CG 4.39Å; F412-L416 HydrophobicContact CE2-CD2 4.46Å; F412-L416 HydrophobicContact CZ-CD2 3.91Å; F412-L416 PolarHBondContact O-N 2.65Å; T413-L416 HydrophobicContact CG2-CD1 4.41Å; T413-L416 WeakPolarHBondContact O-CB 3.48Å; T413-L416 PolarHBondContact O-N 2.86Å; L416-K418 PolarHBondContact O-N 2.97Å; L416-L419 WeakPolarHBondContact O-CB 3.48Å; L416-L419 PolarHBondContact O-N 2.91Å
417D82.2Confident88.7Confident102 Ų10246.3 Ų46.355%0.54524%0.242SC..G310 helixtrans-64.1-27.5176.5-70.8-12.7000112N415 L419N415-D417 VanDerWaalsContact C-N 3.28Å; N415-D417 PolarHBondContact O-N 3.48Å; D417-L419 PolarHBondContact O-N 3.46Å
418K81.2Confident88.6Confident18 Ų1846.7 Ų46.78%0.07825%0.246CC..G310 helixtrans-77.2-1.7176.6-59.9-178.4169.1-172.70114G219 A364 A365 N415 L416 L420 S421 G422 G423G219-K418 PolarHBondContact O-NZ 3.17Å; A364-K418 PolarHBondContact O-NZ 3.36Å; A365-K418 VanDerWaalsContact O-CB 3.32Å; A365-K418 WeakPolarHBondContact O-CB 3.33Å; N415-K418 WeakPolarHBondContact O-CB 3.48Å; N415-K418 PolarHBondContact O-N 3.43Å; N415-K418 VanDerWaalsContact O-N 3.12Å; L416-K418 PolarHBondContact O-N 2.97Å; K418-L420 PolarHBondContact O-N 3.27Å; K418-S421 WeakPolarHBondContact CA-OG 3.36Å; K418-S421 PolarHBondContact O-N 3.31Å; K418-S421 PolarHBondContact O-OG 2.74Å; K418-G422 PolarHBondContact O-N 3.47Å; K418-G423 WeakPolarHBondContact O-CA 3.19Å; K418-G423 PolarHBondContact O-N 3.38Å
419L83.7Confident88.5Confident67 Ų6749 Ų4935%0.35126%0.258SS..G310 helixtrans-56.4-40.1-178.7-174.668.7000111.8I369 L416 D417 G423 W424 L427I369-L419 HydrophobicContact CD1-CB 4.08Å; I369-L419 HydrophobicContact CD1-CD1 3.89Å; L416-L419 WeakPolarHBondContact O-CB 3.48Å; L416-L419 PolarHBondContact O-N 2.91Å; D417-L419 PolarHBondContact O-N 3.46Å; L419-G423 PolarHBondContact O-N 2.96Å; L419-W424 HydrophobicContact CD1-CB 4.41Å; L419-W424 PolarHBondContact O-N 3.09Å; L419-L427 HydrophobicContact CD1-CD1 3.36Å
420L80Confident88.5Confident164 Ų16445.1 Ų45.186%0.85924%0.239SC*.THydrogen-bonded Turntrans-80.1-29.2-178.6-63177.8000113.4K418 G422K418-L420 PolarHBondContact O-N 3.27Å; L420-G422 VanDerWaalsContact C-N 3.29Å; L420-G422 PolarHBondContact O-N 3.07Å
421S78.7Confident88.5Confident68 Ų6846.7 Ų46.748%0.47625%0.248SC..THydrogen-bonded Turntrans-85.42.3-179.253.50000114.2K418K418-S421 WeakPolarHBondContact CA-OG 3.36Å; K418-S421 PolarHBondContact O-N 3.31Å; K418-S421 PolarHBondContact O-OG 2.74Å
422G83.2Confident88.6Confident1 Ų150.7 Ų50.71%0.0127%0.272CS..THydrogen-bonded Turntrans148.2-18174.100000114.1A366 K418 L420 W424 L425A366-G422 VanDerWaalsContact CA-C 3.43Å; A366-G422 VanDerWaalsContact CB-O 3.3Å; A366-G422 WeakPolarHBondContact CB-O 3.47Å; K418-G422 PolarHBondContact O-N 3.47Å; L420-G422 VanDerWaalsContact C-N 3.29Å; L420-G422 PolarHBondContact O-N 3.07Å; G422-W424 PolarHBondContact O-N 2.95Å; G422-L425 WeakPolarHBondContact O-CB 3.44Å; G422-L425 PolarHBondContact O-N 2.88Å
423G83Confident88.7Confident0 Ų049.7 Ų49.70%027%0.269CS..THydrogen-bonded Turntrans-62.4-16.1-175.600000114.5K418 L419 L425 P426K418-G423 WeakPolarHBondContact O-CA 3.19Å; K418-G423 PolarHBondContact O-N 3.38Å; L419-G423 PolarHBondContact O-N 2.96Å; G423-L425 PolarHBondContact O-N 3.03Å; G423-P426 WeakPolarHBondContact O-CD 3.29Å
424W89.7Confident88.8Confident142 Ų14249.7 Ų49.754%0.53826%0.264SS..Hα-helixtrans-61.4-28.517170.8-93.5000112.9L419 G422 L427 S428L419-W424 HydrophobicContact CD1-CB 4.41Å; L419-W424 PolarHBondContact O-N 3.09Å; G422-W424 PolarHBondContact O-N 2.95Å; W424-L427 PolarHBondContact O-N 2.99Å; W424-S428 VanDerWaalsContact O-CB 3.29Å; W424-S428 WeakPolarHBondContact O-CB 3.04Å; W424-S428 PolarHBondContact O-N 3.05Å; W424-S428 PolarHBondContact O-OG 3.29Å
425L91.1Very high89.1Confident21 Ų2153.2 Ų53.211%0.1128%0.282CS..Hα-helixtrans-63.4-61.3-174.4174.467.2000112.5I119 V353 F357 G422 G423 L427 S428 L429I119-L425 HydrophobicContact CD1-CD2 3.64Å; I119-L425 HydrophobicContact CD1-CG 4.3Å; V353-L425 HydrophobicContact CG1-CD2 4.3Å; V353-L425 HydrophobicContact CG2-CD2 3.58Å; F357-L425 HydrophobicContact CE2-CD2 3.75Å; F357-L425 HydrophobicContact CZ-CD2 4.22Å; G422-L425 WeakPolarHBondContact O-CB 3.44Å; G422-L425 PolarHBondContact O-N 2.88Å; G423-L425 PolarHBondContact O-N 3.03Å; L425-L427 PolarHBondContact O-N 3.32Å; L425-S428 PolarHBondContact O-N 2.85Å; L425-S428 VanDerWaalsContact O-N 3.09Å; L425-S428 PolarHBondContact O-OG 3.31Å; L425-L429 HydrophobicContact CD1-CD1 4.14Å; L425-L429 HydrophobicContact CD1-CG 4.41Å; L425-L429 HydrophobicContact CG-CD1 4.27Å; L425-L429 WeakPolarHBondContact O-CG 3.15Å; L425-L429 PolarHBondContact O-N 3.39Å
426P90.3Very high89.3Confident2 Ų254.3 Ų54.31%0.01329%0.289CS..Hα-helixtrans-62.9-30179.825.3-35.6000112.5I119 A366 A370 G423 G430I119-P426 HydrophobicContact CG1-CB 4.4Å; A366-P426 VanDerWaalsContact O-CG 3.29Å; A366-P426 WeakPolarHBondContact O-CG 3.39Å; A370-P426 HydrophobicContact CB-CB 3.98Å; A370-P426 HydrophobicContact CB-CG 4.46Å; G423-P426 WeakPolarHBondContact O-CD 3.29Å; P426-G430 PolarHBondContact O-N 3.44Å
427L92.3Very high89.6Confident35 Ų3550.9 Ų50.918%0.18327%0.271CS..Hα-helixtrans-68.1-38.6173.7-73.2178.8000113.1F112 I369 L419 W424 L425 G430 T431F112-L427 HydrophobicContact CD1-CD2 4.08Å; F112-L427 HydrophobicContact CE1-CD2 3.41Å; F112-L427 VanDerWaalsContact CE1-CD2 3.41Å; F112-L427 HydrophobicContact CE2-CD2 4.38Å; F112-L427 HydrophobicContact CZ-CD2 3.58Å; I369-L427 HydrophobicContact CB-CD1 4.49Å; I369-L427 HydrophobicContact CD1-CD1 4.29Å; I369-L427 HydrophobicContact CG2-CD1 3.85Å; I369-L427 HydrophobicContact CG2-CD2 4.07Å; I369-L427 HydrophobicContact CG2-CG 4.16Å; L419-L427 HydrophobicContact CD1-CD1 3.36Å; W424-L427 PolarHBondContact O-N 2.99Å; L425-L427 PolarHBondContact O-N 3.32Å; L427-G430 PolarHBondContact O-N 3.23Å; L427-T431 WeakPolarHBondContact O-CB 3.28Å; L427-T431 PolarHBondContact O-N 3.05Å; L427-T431 PolarHBondContact O-OG1 2.66Å
428S93.6Very high90.2Very high45 Ų4547.3 Ų47.332%0.31525%0.253SS..Hα-helixtrans-66-45.3176.373.90000110.8W424 L425 G430 T431 V432W424-S428 VanDerWaalsContact O-CB 3.29Å; W424-S428 WeakPolarHBondContact O-CB 3.04Å; W424-S428 PolarHBondContact O-N 3.05Å; W424-S428 PolarHBondContact O-OG 3.29Å; L425-S428 PolarHBondContact O-N 2.85Å; L425-S428 VanDerWaalsContact O-N 3.09Å; L425-S428 PolarHBondContact O-OG 3.31Å; S428-G430 PolarHBondContact O-N 3.06Å; S428-T431 WeakPolarHBondContact O-CB 3.42Å; S428-T431 PolarHBondContact O-N 2.73Å; S428-T431 VanDerWaalsContact O-N 3.15Å; S428-V432 WeakPolarHBondContact O-CG2 3.35Å; S428-V432 PolarHBondContact O-N 3.4Å
429L93.4Very high90.8Very high48 Ų4846.4 Ų46.425%0.25125%0.249SC..Hα-helixtrans-61.4-44.6175.6-68.1170.4000111.2V118 L425 V432 M433V118-L429 HydrophobicContact CB-CD1 3.99Å; V118-L429 HydrophobicContact CG1-CD1 4.18Å; V118-L429 HydrophobicContact CG2-CD1 3.85Å; L425-L429 HydrophobicContact CD1-CD1 4.14Å; L425-L429 HydrophobicContact CD1-CG 4.41Å; L425-L429 HydrophobicContact CG-CD1 4.27Å; L425-L429 WeakPolarHBondContact O-CG 3.15Å; L425-L429 PolarHBondContact O-N 3.39Å; L429-V432 PolarHBondContact O-N 3.47Å; L429-M433 PolarHBondContact O-N 2.96Å
430G94.2Very high91.2Very high1 Ų143.5 Ų43.51%0.0123%0.233CC..Hα-helixtrans-62.4-41.4172.900000112.4S111 P426 L427 S428 V432 M433 F434S111-G430 WeakPolarHBondContact CB-O 3.39Å; S111-G430 WeakPolarHBondContact O-CA 3.17Å; P426-G430 PolarHBondContact O-N 3.44Å; L427-G430 PolarHBondContact O-N 3.23Å; S428-G430 PolarHBondContact O-N 3.06Å; G430-V432 VanDerWaalsContact C-N 3.34Å; G430-V432 PolarHBondContact O-N 3.15Å; G430-M433 PolarHBondContact O-N 3.05Å; G430-F434 WeakPolarHBondContact O-CB 3.31Å; G430-F434 PolarHBondContact O-N 3.26Å
431T95.2Very high91.7Very high75 Ų7539.5 Ų39.546%0.4621%0.209SC..Hα-helixtrans-62.8-41.2177.3-60.40000111.5L427 S428 F434 I435L427-T431 WeakPolarHBondContact O-CB 3.28Å; L427-T431 PolarHBondContact O-N 3.05Å; L427-T431 PolarHBondContact O-OG1 2.66Å; S428-T431 WeakPolarHBondContact O-CB 3.42Å; S428-T431 PolarHBondContact O-N 2.73Å; S428-T431 VanDerWaalsContact O-N 3.15Å; T431-F434 PolarHBondContact O-N 3.21Å; T431-I435 HydrophobicContact CG2-CD1 4.02Å; T431-I435 VanDerWaalsContact O-CG1 3.27Å; T431-I435 WeakPolarHBondContact O-CG1 3.3Å; T431-I435 PolarHBondContact O-N 3.1Å
432V95Very high92.2Very high87 Ų8738.1 Ų38.153%0.52720%0.199SC..Hα-helixtrans-59.1-48.7173.5170.80000110.6S428 L429 G430 F434 I435 V436S428-V432 WeakPolarHBondContact O-CG2 3.35Å; S428-V432 PolarHBondContact O-N 3.4Å; L429-V432 PolarHBondContact O-N 3.47Å; G430-V432 VanDerWaalsContact C-N 3.34Å; G430-V432 PolarHBondContact O-N 3.15Å; V432-F434 VanDerWaalsContact C-N 3.35Å; V432-F434 PolarHBondContact O-N 3.25Å; V432-I435 PolarHBondContact O-N 2.7Å; V432-V436 WeakPolarHBondContact O-CG2 3.39Å; V432-V436 PolarHBondContact O-N 2.99Å
433M95Very high92.4Very high41 Ų4138.1 Ų38.120%0.20220%0.199CC..Hα-helixtrans-63.7-38.4178.6-73.5-56.8-6100112.8Y114 L321 L429 G430 V436 M437Y114-M433 HydrophobicContact CD1-CE 3.88Å; Y114-M433 HydrophobicContact CD1-CG 4.38Å; Y114-M433 HydrophobicContact CD2-CB 4.32Å; Y114-M433 HydrophobicContact CD2-CE 3.91Å; Y114-M433 HydrophobicContact CD2-CG 4.26Å; Y114-M433 HydrophobicContact CE1-CE 3.77Å; Y114-M433 HydrophobicContact CE2-CE 3.85Å; Y114-M433 HydrophobicContact CG-CB 4.41Å; Y114-M433 HydrophobicContact CG-CE 3.95Å; Y114-M433 HydrophobicContact CG-CG 3.9Å; L321-M433 HydrophobicContact CD2-CE 4.49Å; L429-M433 PolarHBondContact O-N 2.96Å; G430-M433 PolarHBondContact O-N 3.05Å; M433-V436 PolarHBondContact O-N 3.48Å; M433-M437 HydrophobicContact CB-CE 4.44Å; M433-M437 HydrophobicContact CE-CE 3.95Å; M433-M437 WeakPolarHBondContact O-CG 3.3Å; M433-M437 PolarHBondContact O-N 3.3Å
434F95.9Very high92.5Very high54 Ų5442.8 Ų42.824%0.23722%0.216CC..Hα-helixtrans-62.5-43.7174.4-178.1-99.6000111.5I104 L107 I108 S111 G430 T431 V432 M437 T438I104-F434 HydrophobicContact CG2-CZ 4.43Å; L107-F434 HydrophobicContact CB-CD2 4.02Å; L107-F434 HydrophobicContact CB-CE2 3.88Å; I108-F434 HydrophobicContact CG1-CD2 3.96Å; I108-F434 HydrophobicContact CG1-CE2 3.66Å; I108-F434 HydrophobicContact CG1-CZ 4.31Å; S111-F434 WeakPolarHBondContact OG-CA 3.32Å; S111-F434 WeakPolarHBondContact OG-CB 3.31Å; S111-F434 PolarHBondContact OG-N 2.8Å; G430-F434 WeakPolarHBondContact O-CB 3.31Å; G430-F434 PolarHBondContact O-N 3.26Å; T431-F434 PolarHBondContact O-N 3.21Å; V432-F434 VanDerWaalsContact C-N 3.35Å; V432-F434 PolarHBondContact O-N 3.25Å; F434-M437 PolarHBondContact O-N 3.34Å; F434-T438 HydrophobicContact CD1-CG2 4.24Å; F434-T438 HydrophobicContact CD2-CG2 4.24Å; F434-T438 HydrophobicContact CE1-CG2 3.89Å; F434-T438 HydrophobicContact CE2-CG2 3.89Å; F434-T438 HydrophobicContact CG-CG2 4.41Å; F434-T438 HydrophobicContact CZ-CG2 3.71Å; F434-T438 WeakPolarHBondContact O-CB 3.32Å; F434-T438 VanDerWaalsContact O-CG2 3.28Å; F434-T438 WeakPolarHBondContact O-CG2 3.49Å; F434-T438 PolarHBondContact O-N 3.17Å; F434-T438 PolarHBondContact O-OG1 3.29Å
435I95.3Very high92.3Very high74 Ų7442.4 Ų42.438%0.37922%0.219SC..Hα-helixtrans-62.5-44.1175.5-69.3165.7000110.5T431 V432 T438 T439 L591T431-I435 HydrophobicContact CG2-CD1 4.02Å; T431-I435 VanDerWaalsContact O-CG1 3.27Å; T431-I435 WeakPolarHBondContact O-CG1 3.3Å; T431-I435 PolarHBondContact O-N 3.1Å; V432-I435 PolarHBondContact O-N 2.7Å; I435-T438 PolarHBondContact O-OG1 2.98Å; I435-T439 WeakPolarHBondContact O-CB 3.42Å; I435-T439 PolarHBondContact O-N 2.93Å; I435-T439 PolarHBondContact O-OG1 3.31Å; I435-L591 HydrophobicContact CG2-CD2 4.3Å
436V95Very high91.9Very high23 Ų2345.3 Ų45.314%0.13923%0.228CC..Hα-helixtrans-58.9-51.1177168.40000110.6L321 V432 M433 T439 W440 L591 L595L321-V436 HydrophobicContact CD2-CG1 3.71Å; V432-V436 WeakPolarHBondContact O-CG2 3.39Å; V432-V436 PolarHBondContact O-N 2.99Å; M433-V436 PolarHBondContact O-N 3.48Å; V436-T439 PolarHBondContact O-N 3.17Å; V436-W440 WeakPolarHBondContact O-CB 3.48Å; V436-W440 PolarHBondContact O-N 2.91Å; V436-L591 HydrophobicContact CG2-CD2 4.27Å; V436-L595 HydrophobicContact CG1-CD1 3.99Å; V436-L595 HydrophobicContact CG1-CD2 4.45Å
437M94.5Very high91.4Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-65.3-45.5-176.9-71.6-173.8-148.400113.1L107 Y114 Y320 L321 M433 F434 W440 K441L107-M437 HydrophobicContact CD2-CB 4.44Å; L107-M437 HydrophobicContact CD2-SD 3.89Å; Y114-M437 HydrophobicContact CD2-CE 3.73Å; Y114-M437 HydrophobicContact CE2-CE 3.25Å; Y320-M437 WeakPolarHBondContact O-CA 3.4Å; L321-M437 HydrophobicContact CD2-CG 3.82Å; L321-M437 HydrophobicContact CG-CG 4.12Å; M433-M437 HydrophobicContact CB-CE 4.44Å; M433-M437 HydrophobicContact CE-CE 3.95Å; M433-M437 WeakPolarHBondContact O-CG 3.3Å; M433-M437 PolarHBondContact O-N 3.3Å; F434-M437 PolarHBondContact O-N 3.34Å; M437-W440 PolarHBondContact O-N 3.13Å; M437-K441 PolarHBondContact O-N 3.22Å
438T94Very high90.5Very high27 Ų2746.1 Ų46.117%0.16623%0.233CC..Hα-helixtrans-69.1-36.4179.955.70000111.9L107 F434 I435 S442L107-T438 HydrophobicContact CD1-CG2 4.18Å; F434-T438 HydrophobicContact CD1-CG2 4.24Å; F434-T438 HydrophobicContact CD2-CG2 4.24Å; F434-T438 HydrophobicContact CE1-CG2 3.89Å; F434-T438 HydrophobicContact CE2-CG2 3.89Å; F434-T438 HydrophobicContact CG-CG2 4.41Å; F434-T438 HydrophobicContact CZ-CG2 3.71Å; F434-T438 WeakPolarHBondContact O-CB 3.32Å; F434-T438 VanDerWaalsContact O-CG2 3.28Å; F434-T438 WeakPolarHBondContact O-CG2 3.49Å; F434-T438 PolarHBondContact O-N 3.17Å; F434-T438 PolarHBondContact O-OG1 3.29Å; I435-T438 PolarHBondContact O-OG1 2.98Å; T438-S442 WeakPolarHBondContact O-CB 3.48Å; T438-S442 PolarHBondContact O-N 3.2Å
439T93.3Very high89.8Confident0 Ų051.5 Ų51.50%025%0.246CC..Hα-helixtrans-63.9-48.9174.6-63.10000110.8I435 V436 K441 S442 E443 R588 L591I435-T439 WeakPolarHBondContact O-CB 3.42Å; I435-T439 PolarHBondContact O-N 2.93Å; I435-T439 PolarHBondContact O-OG1 3.31Å; V436-T439 PolarHBondContact O-N 3.17Å; T439-K441 PolarHBondContact O-N 2.64Å; T439-S442 PolarHBondContact O-N 3.18Å; T439-E443 HydrophobicContact CG2-CG 4.32Å; T439-E443 WeakPolarHBondContact O-CB 3.34Å; T439-E443 WeakPolarHBondContact O-CG 3.31Å; T439-E443 PolarHBondContact O-N 2.89Å; T439-R588 HydrophobicContact CG2-CB 3.79Å; T439-R588 HydrophobicContact CG2-CG 4.12Å; T439-R588 WeakPolarHBondContact CG2-O 3.34Å; T439-L591 HydrophobicContact CG2-CB 4.28Å; T439-L591 HydrophobicContact CG2-CD2 4.1Å; T439-L591 HydrophobicContact CG2-CG 4.34Å
440W92.5Very high88.9Confident5 Ų553.7 Ų53.72%0.01925%0.251CS..Hα-helixtrans-57.6-50.9178.2178-96.7000111.9G319 Y320 L321 S322 P323 V436 M437 S442 R444 Y592 L595 Q596 A599G319-W440 VanDerWaalsContact O-CD1 3.24Å; Y320-W440 VanDerWaalsContact C-CD1 3.45Å; L321-W440 VanDerWaalsContact C-NE1 3.35Å; L321-W440 PolarHBondContact O-NE1 2.88Å; S322-W440 VanDerWaalsContact CA-CZ2 3.41Å; S322-W440 VanDerWaalsContact CB-CH2 3.43Å; P323-W440 VanDerWaalsContact CD-CZ2 3.46Å; V436-W440 WeakPolarHBondContact O-CB 3.48Å; V436-W440 PolarHBondContact O-N 2.91Å; M437-W440 PolarHBondContact O-N 3.13Å; W440-S442 PolarHBondContact O-N 3.41Å; W440-R444 WeakPolarHBondContact O-CB 3.36Å; W440-R444 PolarHBondContact O-N 2.96Å; W440-Y592 HydrophobicContact CD2-CD2 4.25Å; W440-Y592 AromaticContact CD2-CE2 3.97Å; W440-Y592 HydrophobicContact CD2-CE2 3.97Å; W440-Y592 AromaticContact CE3-CD2 3.58Å; W440-Y592 HydrophobicContact CE3-CD2 3.58Å; W440-Y592 AromaticContact CE3-CE2 3.5Å; W440-Y592 HydrophobicContact CE3-CE2 3.5Å; W440-Y592 HydrophobicContact CH2-CE2 4.09Å; W440-Y592 HydrophobicContact CZ2-CE2 4.46Å; W440-Y592 AromaticContact CZ3-CD2 3.92Å; W440-Y592 HydrophobicContact CZ3-CD2 3.92Å; W440-Y592 AromaticContact CZ3-CE2 3.58Å; W440-Y592 HydrophobicContact CZ3-CE2 3.58Å; W440-L595 HydrophobicContact CE3-CB 3.86Å; W440-L595 HydrophobicContact CE3-CD1 4.22Å; W440-L595 HydrophobicContact CZ3-CB 3.9Å; W440-Q596 HydrophobicContact CZ3-CB 4.39Å; W440-A599 HydrophobicContact CH2-CB 4.48Å
441K90.2Very high87.6Confident81 Ų8154.3 Ų54.335%0.35225%0.254SS..Hα-helixtrans-62.2-44.7-179.9-173.169.7172.4-168.20112L318 G319 Y320 M437 T439 F445L318-K441 PolarHBondContact O-NZ 3.48Å; G319-K441 WeakPolarHBondContact O-CD 3.46Å; Y320-K441 HydrophobicContact CD1-CB 3.85Å; Y320-K441 HydrophobicContact CD1-CD 4.02Å; Y320-K441 HydrophobicContact CD1-CG 3.95Å; Y320-K441 HydrophobicContact CE1-CB 4.17Å; Y320-K441 HydrophobicContact CE1-CD 3.9Å; Y320-K441 HydrophobicContact CE1-CG 3.78Å; M437-K441 PolarHBondContact O-N 3.22Å; T439-K441 PolarHBondContact O-N 2.64Å; K441-F445 WeakPolarHBondContact O-CB 3.44Å; K441-F445 PolarHBondContact O-N 3.06Å
442S88.8Confident86.2Confident39 Ų3955.2 Ų55.227%0.27325%0.252SS..Hα-helixtrans-65.4-47.9-177.4-1700000111.9T438 T439 W440 F445 R446T438-S442 WeakPolarHBondContact O-CB 3.48Å; T438-S442 PolarHBondContact O-N 3.2Å; T439-S442 PolarHBondContact O-N 3.18Å; W440-S442 PolarHBondContact O-N 3.41Å; S442-F445 PolarHBondContact O-N 2.99Å; S442-R446 WeakPolarHBondContact O-CG 3.41Å; S442-R446 PolarHBondContact O-N 3.06Å
443E89Confident84.8Confident0 Ų057 Ų570%026%0.255CS..Hα-helixtrans-71.4-37.7-179.4-64.6-57.9149.800111.9T439 F445 R446 L447 R581 Y592 I622T439-E443 HydrophobicContact CG2-CG 4.32Å; T439-E443 WeakPolarHBondContact O-CB 3.34Å; T439-E443 WeakPolarHBondContact O-CG 3.31Å; T439-E443 PolarHBondContact O-N 2.89Å; E443-F445 VanDerWaalsContact C-N 3.32Å; E443-F445 PolarHBondContact O-N 3.44Å; E443-R446 PolarHBondContact O-N 3.21Å; E443-R446 IonicContact OE1-NH1 2.92Å; E443-L447 WeakPolarHBondContact O-CB 3.45Å; E443-L447 PolarHBondContact O-N 3.41Å; E443-R581 VanDerWaalsContact CD-NH1 3.28Å; E443-R581 IonicContact OE1-NH1 3.88Å; E443-R581 PolarHBondContact OE1-NH1 3.44Å; E443-R581 IonicContact OE2-CZ 2.6Å; E443-R581 IonicContact OE2-NH1 3.85Å; E443-R581 PolarHBondContact OE2-NH1 2.57Å; E443-R581 IonicContact OE2-NH2 3.52Å; E443-R581 PolarHBondContact OE2-NH2 3.35Å; E443-Y592 HydrophobicContact CB-CD1 3.61Å; E443-Y592 HydrophobicContact CB-CD2 3.66Å; E443-Y592 HydrophobicContact CB-CE1 4.04Å; E443-Y592 HydrophobicContact CB-CE2 4.12Å; E443-Y592 HydrophobicContact CB-CG 3.4Å; E443-Y592 VanDerWaalsContact CB-CG 3.4Å; E443-Y592 HydrophobicContact CG-CD1 4.36Å; E443-Y592 HydrophobicContact CG-CG 4Å; E443-I622 VanDerWaalsContact OE2-CG2 3.25Å; E443-I622 WeakPolarHBondContact OE2-CG2 3.31Å
444R84.6Confident83Confident98 Ų9861.3 Ų61.337%0.3727%0.274SS..Hα-helixtrans-59.9-42171.4-177.7178.1173.6-174.7-0.3111.7W440 L447 L448 Y592W440-R444 WeakPolarHBondContact O-CB 3.36Å; W440-R444 PolarHBondContact O-N 2.96Å; R444-L447 PolarHBondContact O-N 2.95Å; R444-L448 HydrophobicContact CG-CD1 4.18Å; R444-L448 WeakPolarHBondContact O-CB 3.2Å; R444-L448 VanDerWaalsContact O-CG 3.3Å; R444-L448 WeakPolarHBondContact O-CG 3.28Å; R444-L448 PolarHBondContact O-N 3.38Å; R444-Y592 HydrophobicContact CB-CE2 4.35Å
445F84.4Confident81.1Confident135 Ų13560.9 Ų60.959%0.59229%0.286SS*.Hα-helixtrans-65.3-39.9176.6-174.7-96.3000112K441 S442 E443 L448 R449K441-F445 WeakPolarHBondContact O-CB 3.44Å; K441-F445 PolarHBondContact O-N 3.06Å; S442-F445 PolarHBondContact O-N 2.99Å; E443-F445 VanDerWaalsContact C-N 3.32Å; E443-F445 PolarHBondContact O-N 3.44Å; F445-L448 PolarHBondContact O-N 3.37Å; F445-R449 WeakPolarHBondContact O-CB 3.32Å; F445-R449 PolarHBondContact O-N 3.08Å
446R82.8Confident79.3Confident82 Ų8262.8 Ų62.831%0.30930%0.296SS..Hα-helixtrans-62.3-45.1174.2-71.6172.5-178.7-148-3.7111.9S442 E443 R449 R450S442-R446 WeakPolarHBondContact O-CG 3.41Å; S442-R446 PolarHBondContact O-N 3.06Å; E443-R446 PolarHBondContact O-N 3.21Å; E443-R446 IonicContact OE1-NH1 2.92Å; R446-R449 PolarHBondContact O-N 2.98Å; R446-R450 PolarHBondContact O-N 3.24Å
447L79.7Confident78.4Confident5 Ų565.1 Ų65.13%0.02631%0.314CS..Hα-helixtrans-59.1-51175.6176.160.5000110.7E443 R444 R449 R450 M451 L576 V620 I622E443-L447 WeakPolarHBondContact O-CB 3.45Å; E443-L447 PolarHBondContact O-N 3.41Å; R444-L447 PolarHBondContact O-N 2.95Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 2.87Å; L447-R450 PolarHBondContact O-N 3.42Å; L447-M451 HydrophobicContact CD1-CG 4.34Å; L447-M451 HydrophobicContact CD1-SD 4.11Å; L447-M451 HydrophobicContact CG-SD 4.08Å; L447-M451 VanDerWaalsContact O-CG 3.28Å; L447-M451 WeakPolarHBondContact O-CG 3.27Å; L447-M451 PolarHBondContact O-N 3.33Å; L447-L576 HydrophobicContact CD1-CD2 3.8Å; L447-L576 HydrophobicContact CD2-CD1 4.37Å; L447-L576 HydrophobicContact CD2-CD2 4.12Å; L447-V620 HydrophobicContact CD1-CB 4.31Å; L447-V620 HydrophobicContact CD1-CG1 3.72Å; L447-I622 HydrophobicContact CB-CD1 4.09Å; L447-I622 HydrophobicContact CD1-CD1 4.06Å; L447-I622 HydrophobicContact CD1-CG1 4.23Å; L447-I622 HydrophobicContact CD2-CD1 4.41Å; L447-I622 HydrophobicContact CG-CD1 4.41Å
448L74.6Confident77.9Confident49 Ų4965.3 Ų65.326%0.25732%0.315SS..Hα-helixtrans-58.7-44.9177.6-72.5172000111.4R444 F445 R450 M451 H452R444-L448 HydrophobicContact CG-CD1 4.18Å; R444-L448 WeakPolarHBondContact O-CB 3.2Å; R444-L448 VanDerWaalsContact O-CG 3.3Å; R444-L448 WeakPolarHBondContact O-CG 3.28Å; R444-L448 PolarHBondContact O-N 3.38Å; F445-L448 PolarHBondContact O-N 3.37Å; L448-R450 PolarHBondContact O-N 2.88Å; L448-M451 WeakPolarHBondContact O-CB 3.49Å; L448-M451 PolarHBondContact O-N 3.47Å; L448-H452 PolarHBondContact O-N 3.26Å; L448-H452 PolarHBondContact O-ND1 3.09Å
449R77.9Confident77.5Confident158 Ų15869.9 Ų69.960%0.59633%0.334SS*.Hα-helixtrans-60.4-46.3178.8-174.4175.8174.4167.93.4112.3F445 R446 L447 M451 H452 E453F445-R449 WeakPolarHBondContact O-CB 3.32Å; F445-R449 PolarHBondContact O-N 3.08Å; R446-R449 PolarHBondContact O-N 2.98Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 2.87Å; R449-M451 VanDerWaalsContact C-N 3.27Å; R449-M451 PolarHBondContact O-N 2.9Å; R449-H452 PolarHBondContact O-N 3.42Å; R449-E453 IonicContact NE-OE1 3.25Å; R449-E453 WeakPolarHBondContact O-CG 3.34Å; R449-E453 PolarHBondContact O-N 2.91Å
450R74.4Confident77.2Confident94 Ų9472.4 Ų72.436%0.35536%0.355SS..Hα-helixtrans-61.9-35.5176.7-75.5-170.7178.4175.68.6113.1R446 L447 L448 H452 E453 H454 E621 I622R446-R450 PolarHBondContact O-N 3.24Å; L447-R450 PolarHBondContact O-N 3.42Å; L448-R450 PolarHBondContact O-N 2.88Å; R450-H452 VanDerWaalsContact C-N 3.32Å; R450-E453 PolarHBondContact O-N 3.3Å; R450-H454 PolarHBondContact O-ND1 2.96Å; R450-E621 PolarHBondContact NH1-O 3.05Å; R450-I622 PolarHBondContact NH1-OXT 3.49Å; R450-I622 PolarHBondContact NH2-OXT 3.12Å
451M66.6Low76.9Confident14 Ų1473.6 Ų73.67%0.06936%0.361CS..Hα-helixtrans-68.1-31.8174.9-71.9178.579.800112.6L447 L448 R449 R482 F489 E574L447-M451 HydrophobicContact CD1-CG 4.34Å; L447-M451 HydrophobicContact CD1-SD 4.11Å; L447-M451 HydrophobicContact CG-SD 4.08Å; L447-M451 VanDerWaalsContact O-CG 3.28Å; L447-M451 WeakPolarHBondContact O-CG 3.27Å; L447-M451 PolarHBondContact O-N 3.33Å; L448-M451 WeakPolarHBondContact O-CB 3.49Å; L448-M451 PolarHBondContact O-N 3.47Å; R449-M451 VanDerWaalsContact C-N 3.27Å; R449-M451 PolarHBondContact O-N 2.9Å; M451-R482 VanDerWaalsContact CE-NH1 3.31Å; M451-R482 PolarHBondContact SD-NH1 2.96Å; M451-F489 HydrophobicContact CB-CE2 3.8Å; M451-F489 HydrophobicContact CB-CZ 4.11Å; M451-F489 HydrophobicContact CE-CD2 3.34Å; M451-F489 HydrophobicContact CE-CE2 3.23Å; M451-F489 HydrophobicContact CE-CG 4.47Å; M451-F489 HydrophobicContact CE-CZ 4.29Å; M451-F489 HydrophobicContact CG-CE2 3.84Å; M451-F489 HydrophobicContact CG-CZ 4.12Å; M451-F489 HydrophobicContact SD-CE2 4.42Å; M451-E574 WeakPolarHBondContact CE-OE1 3.32Å
452H67.6Low77Confident93 Ų9370.1 Ų70.143%0.43135%0.346SS..Hα-helixtrans-80.7-23.7176.5-72.480.6000113.2L448 R449 R450 H454 G455L448-H452 PolarHBondContact O-N 3.26Å; L448-H452 PolarHBondContact O-ND1 3.09Å; R449-H452 PolarHBondContact O-N 3.42Å; R450-H452 VanDerWaalsContact C-N 3.32Å; H452-H454 PolarHBondContact O-N 3.34Å; H452-H454 VanDerWaalsContact O-N 3.12Å; H452-G455 PolarHBondContact O-N 2.85Å
453E64.9Low77Confident126 Ų12671.1 Ų71.159%0.58936%0.357SS*.THydrogen-bonded Turntrans-61.5-19.8177.9-78.2168.6-17600113.1R449 R450R449-E453 IonicContact NE-OE1 3.25Å; R449-E453 WeakPolarHBondContact O-CG 3.34Å; R449-E453 PolarHBondContact O-N 2.91Å; R450-E453 PolarHBondContact O-N 3.3Å
454H57.6Low77.1Confident130 Ų13074.7 Ų74.760%0.60238%0.382SS*.THydrogen-bonded Turntrans-9910.5175.6-64.778.1000113.6R450 H452 N456R450-H454 PolarHBondContact O-ND1 2.96Å; H452-H454 PolarHBondContact O-N 3.34Å; H452-H454 VanDerWaalsContact O-N 3.12Å; H454-N456 PolarHBondContact O-N 3.43Å
455G54.5Low77.4Confident46 Ų4671 Ų7147%0.47437%0.37SS..  trans-68.774.4-176.800000112.9H452H452-G455 PolarHBondContact O-N 2.85Å
456N58.8Low77.7Confident113 Ų11367.3 Ų67.360%0.60435%0.354SS*.  trans-51.7140155.6-67.6-24.9000107.6H454 L458 I487H454-N456 PolarHBondContact O-N 3.43Å; N456-L458 PolarHBondContact O-N 3.02Å; N456-L458 VanDerWaalsContact O-N 3.07Å; N456-I487 HydrophobicContact CB-CD1 3.75Å; N456-I487 VanDerWaalsContact O-CD1 3.26Å; N456-I487 WeakPolarHBondContact O-CD1 3.49Å
457S75.4Confident78.1Confident72 Ų7272.1 Ų72.150%0.50338%0.377SS..  trans-59.6120.7-178.650.20000109.6E459 A460 M461S457-E459 PolarHBondContact O-N 2.71Å; S457-A460 PolarHBondContact O-N 3.46Å; S457-A460 WeakPolarHBondContact OG-CB 3.34Å; S457-M461 PolarHBondContact O-N 2.9Å
458L84.8Confident78.6Confident4 Ų476.1 Ų76.12%0.02141%0.405CS..Hα-helixtrans-50.3-42.4178.5173.566000110.8N456 M461 I462 I484 I487 L507 L529N456-L458 PolarHBondContact O-N 3.02Å; N456-L458 VanDerWaalsContact O-N 3.07Å; L458-M461 HydrophobicContact CD1-CE 3.77Å; L458-M461 PolarHBondContact O-N 2.93Å; L458-I462 HydrophobicContact CD1-CD1 4.02Å; L458-I462 HydrophobicContact CD1-CG1 4.35Å; L458-I462 HydrophobicContact CG-CD1 3.89Å; L458-I462 VanDerWaalsContact O-CG1 3.29Å; L458-I462 WeakPolarHBondContact O-CG1 3.28Å; L458-I462 PolarHBondContact O-N 3.38Å; L458-I484 WeakPolarHBondContact CD2-O 3.5Å; L458-I487 HydrophobicContact CB-CG1 4.15Å; L458-I487 HydrophobicContact CD1-CB 4.49Å; L458-I487 HydrophobicContact CD1-CG1 3.91Å; L458-L507 HydrophobicContact CD1-CD1 3.76Å; L458-L507 HydrophobicContact CD2-CD1 3.74Å; L458-L507 HydrophobicContact CG-CD1 4.22Å; L458-L529 HydrophobicContact CD2-CD1 4.43Å
459E85.6Confident79.2Confident124 Ų12477.5 Ų77.558%0.57942%0.418SS*.Hα-helixtrans-61.6-42.8176.8-66174.3-173.600112.6S457 I462 A463S457-E459 PolarHBondContact O-N 2.71Å; E459-I462 PolarHBondContact O-N 3.49Å; E459-A463 WeakPolarHBondContact O-CB 3.24Å; E459-A463 PolarHBondContact O-N 3.29Å
460A85.8Confident79.7Confident53 Ų5371.6 Ų71.644%0.43840%0.399SS..Hα-helixtrans-68.8-35.9177.100000112.1S457 S464S457-A460 PolarHBondContact O-N 3.46Å; S457-A460 WeakPolarHBondContact OG-CB 3.34Å; A460-S464 VanDerWaalsContact O-CB 3.27Å; A460-S464 WeakPolarHBondContact O-CB 3.45Å; A460-S464 PolarHBondContact O-N 3.23Å
461M87.5Confident80.5Confident29 Ų2971.8 Ų71.814%0.14341%0.411CS..Hα-helixtrans-64.4-46.5173.4-179.7-154.56900110.7S457 L458 S464 L465 I487 L491S457-M461 PolarHBondContact O-N 2.9Å; L458-M461 HydrophobicContact CD1-CE 3.77Å; L458-M461 PolarHBondContact O-N 2.93Å; M461-S464 WeakPolarHBondContact O-CB 3.29Å; M461-S464 PolarHBondContact O-N 3.34Å; M461-L465 HydrophobicContact CE-CD1 4Å; M461-L465 HydrophobicContact CG-CD1 3.85Å; M461-L465 HydrophobicContact CG-CG 4.37Å; M461-L465 WeakPolarHBondContact O-CB 3.48Å; M461-L465 VanDerWaalsContact O-CG 3.28Å; M461-L465 WeakPolarHBondContact O-CG 3.44Å; M461-L465 PolarHBondContact O-N 3.32Å; M461-L465 HydrophobicContact SD-CD1 4.16Å; M461-I487 HydrophobicContact CB-CD1 3.78Å; M461-I487 HydrophobicContact CB-CG1 4.4Å; M461-I487 HydrophobicContact CE-CG1 4.24Å; M461-I487 HydrophobicContact CE-CG2 4.09Å; M461-I487 HydrophobicContact CG-CD1 4.18Å; M461-I487 HydrophobicContact SD-CB 4.28Å; M461-I487 HydrophobicContact SD-CD1 3.72Å; M461-I487 HydrophobicContact SD-CG1 3.86Å; M461-I487 HydrophobicContact SD-CG2 3.41Å; M461-I487 WeakPolarHBondContact SD-CG2 3.44Å; M461-L491 HydrophobicContact CE-CD2 3.45Å; M461-L491 VanDerWaalsContact CE-CD2 3.45Å; M461-L491 HydrophobicContact SD-CD2 4.11Å
462I91.2Very high81.8Confident8 Ų873.9 Ų73.94%0.04142%0.418CS..Hα-helixtrans-60.1-48.6177-68.9169.5000110.1L458 E459 S464 L465 E466 L507 L529 F533L458-I462 HydrophobicContact CD1-CD1 4.02Å; L458-I462 HydrophobicContact CD1-CG1 4.35Å; L458-I462 HydrophobicContact CG-CD1 3.89Å; L458-I462 VanDerWaalsContact O-CG1 3.29Å; L458-I462 WeakPolarHBondContact O-CG1 3.28Å; L458-I462 PolarHBondContact O-N 3.38Å; E459-I462 PolarHBondContact O-N 3.49Å; I462-S464 VanDerWaalsContact C-N 3.29Å; I462-S464 PolarHBondContact O-N 2.86Å; I462-L465 PolarHBondContact O-N 2.9Å; I462-L465 VanDerWaalsContact O-N 3.15Å; I462-E466 HydrophobicContact CG2-CG 4.38Å; I462-E466 WeakPolarHBondContact O-CG 3.31Å; I462-E466 PolarHBondContact O-N 3.11Å; I462-L507 HydrophobicContact CD1-CD1 4.34Å; I462-L529 HydrophobicContact CD1-CB 4.06Å; I462-L529 HydrophobicContact CD1-CD1 3.53Å; I462-L529 HydrophobicContact CD1-CG 4.45Å; I462-F533 HydrophobicContact CD1-CB 4.18Å; I462-F533 HydrophobicContact CD1-CD1 4.08Å; I462-F533 HydrophobicContact CD1-CG 4.14Å; I462-F533 HydrophobicContact CG1-CB 4.49Å; I462-F533 HydrophobicContact CG1-CD1 3.96Å; I462-F533 HydrophobicContact CG1-CD2 4.28Å; I462-F533 HydrophobicContact CG1-CE1 4.22Å; I462-F533 HydrophobicContact CG1-CG 4Å; I462-F533 HydrophobicContact CG1-CZ 4.5Å; I462-F533 HydrophobicContact CG2-CB 4.2Å; I462-F533 HydrophobicContact CG2-CD2 3.89Å; I462-F533 HydrophobicContact CG2-CG 4.09Å
463A90.1Very high83Confident60 Ų6071.6 Ų71.650%0.49641%0.411SS..Hα-helixtrans-58.6-39.7177.300000112.5E459 K467E459-A463 WeakPolarHBondContact O-CB 3.24Å; E459-A463 PolarHBondContact O-N 3.29Å; A463-K467 WeakPolarHBondContact O-CB 3.38Å; A463-K467 PolarHBondContact O-N 2.87Å
464S89.3Confident84.2Confident75 Ų7570.6 Ų70.652%0.52442%0.415SS..Hα-helixtrans-65.4-43.6175.4-174.90000112.3A460 M461 I462 E466 K467 S468A460-S464 VanDerWaalsContact O-CB 3.27Å; A460-S464 WeakPolarHBondContact O-CB 3.45Å; A460-S464 PolarHBondContact O-N 3.23Å; M461-S464 WeakPolarHBondContact O-CB 3.29Å; M461-S464 PolarHBondContact O-N 3.34Å; I462-S464 VanDerWaalsContact C-N 3.29Å; I462-S464 PolarHBondContact O-N 2.86Å; S464-E466 VanDerWaalsContact C-N 3.34Å; S464-E466 PolarHBondContact O-N 3.37Å; S464-K467 PolarHBondContact O-N 2.83Å; S464-S468 PolarHBondContact O-N 3.45Å
465L91.6Very high85.7Confident21 Ų2165.6 Ų65.611%0.1140%0.399CS..Hα-helixtrans-69.1-28.9178.2-71169.2000113M461 I462 S468 P469 P470 L495 L501 F533M461-L465 HydrophobicContact CE-CD1 4Å; M461-L465 HydrophobicContact CG-CD1 3.85Å; M461-L465 HydrophobicContact CG-CG 4.37Å; M461-L465 WeakPolarHBondContact O-CB 3.48Å; M461-L465 VanDerWaalsContact O-CG 3.28Å; M461-L465 WeakPolarHBondContact O-CG 3.44Å; M461-L465 PolarHBondContact O-N 3.32Å; M461-L465 HydrophobicContact SD-CD1 4.16Å; I462-L465 PolarHBondContact O-N 2.9Å; I462-L465 VanDerWaalsContact O-N 3.15Å; L465-S468 CarbonylContact O-C 3.5Å; L465-P469 WeakPolarHBondContact O-CA 3.13Å; L465-P470 HydrophobicContact CD2-CG 4.3Å; L465-L495 HydrophobicContact CD1-CD1 3.89Å; L465-L495 HydrophobicContact CD2-CD1 4.02Å; L465-L495 HydrophobicContact CD2-CD2 4.12Å; L465-L501 HydrophobicContact CD1-CD1 4.19Å; L465-L501 HydrophobicContact CD2-CD1 4.21Å; L465-F533 HydrophobicContact CB-CE2 4.48Å; L465-F533 HydrophobicContact CD1-CE2 4.33Å; L465-F533 HydrophobicContact CD1-CZ 3.86Å
466E91.2Very high87.6Confident58 Ų5864.1 Ų64.127%0.27138%0.381SS..Hα-helixtrans-76.8-34173-66.5-63.917500111.9I462 S464 S530 T532I462-E466 HydrophobicContact CG2-CG 4.38Å; I462-E466 WeakPolarHBondContact O-CG 3.31Å; I462-E466 PolarHBondContact O-N 3.11Å; S464-E466 VanDerWaalsContact C-N 3.34Å; S464-E466 PolarHBondContact O-N 3.37Å; E466-S530 WeakPolarHBondContact OE1-CB 3.47Å; E466-S530 PolarHBondContact OE1-OG 2.59Å; E466-T532 WeakPolarHBondContact OE1-CB 3.42Å; E466-T532 PolarHBondContact OE1-N 2.92Å; E466-T532 PolarHBondContact OE1-OG1 3.35Å
467K90.7Very high89.2Confident183 Ų18358.7 Ų58.780%0.79635%0.352SS*.Hα-helixtrans-70.9-36.3176.2-171.6175.8-180179.40112.6A463 S464A463-K467 WeakPolarHBondContact O-CB 3.38Å; A463-K467 PolarHBondContact O-N 2.87Å; S464-K467 PolarHBondContact O-N 2.83Å
468S90.1Very high90.1Very high88 Ų8855.3 Ų55.362%0.61533%0.328SS*.SBendtrans-133.876.2179.6-65.10000110.3S464 L465S464-S468 PolarHBondContact O-N 3.45Å; L465-S468 CarbonylContact O-C 3.5Å
469P86.8Confident90.5Very high79 Ų7955.1 Ų55.151%0.51333%0.327SS..  trans-67.6131.9-173.926-33.1000111.9L465L465-P469 WeakPolarHBondContact O-CA 3.13Å
470P88.8Confident90.6Very high33 Ų3350.4 Ų50.421%0.21431%0.305CS..  trans-67.9175166.232.1-35.4000110L465 R472 L495 L501L465-P470 HydrophobicContact CD2-CG 4.3Å; P470-R472 PolarHBondContact O-N 3.29Å; P470-R472 VanDerWaalsContact O-N 3.16Å; P470-L495 HydrophobicContact CB-CD2 4.45Å; P470-L495 HydrophobicContact CG-CD2 3.84Å; P470-L501 HydrophobicContact CG-CB 4.12Å; P470-L501 HydrophobicContact CG-CD1 3.51Å; P470-L501 HydrophobicContact CG-CG 3.63Å
471V92.6Very high90.5Very high99 Ų9948.6 Ų48.660%0.629%0.289SS*.EExtended strand (participates in β ladder)trans-54.6123.9176.8176.70000109.9V500 L501V471-V500 HydrophobicContact CB-CG1 4.18Å; V471-V500 HydrophobicContact CG1-CG1 4.3Å; V471-V500 CarbonylContact O-C 3.51Å; V471-V500 VanDerWaalsContact O-CA 3.29Å; V471-V500 WeakPolarHBondContact O-CA 3.43Å; V471-L501 PolarHBondContact O-N 2.95Å
472R92.7Very high90Very high58 Ų5853.6 Ų53.622%0.21931%0.306CS..EExtended strand (participates in β ladder)trans-94.7129.4177.3-66-70.1-179.7152.29.6110.1P470 L501 H502 E503 T532P470-R472 PolarHBondContact O-N 3.29Å; P470-R472 VanDerWaalsContact O-N 3.16Å; R472-L501 CarbonylContact C-O 3.57Å; R472-L501 WeakPolarHBondContact CA-O 3.33Å; R472-H502 WeakPolarHBondContact CD-O 3.47Å; R472-H502 PolarHBondContact NH1-O 2.9Å; R472-E503 HydrophobicContact CB-CG 4.5Å; R472-T532 PolarHBondContact NH1-OG1 2.92Å; R472-T532 PolarHBondContact NH2-OG1 3.32Å
473V92.4Very high89.4Confident45 Ų4554.3 Ų54.327%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-105.3146.7173.4-62.30000110.3V500 L501 H502 E503V473-V500 HydrophobicContact CG1-CB 4.42Å; V473-V500 HydrophobicContact CG1-CG1 4.39Å; V473-L501 PolarHBondContact N-O 2.95Å; V473-H502 HydrophobicContact CG2-CB 4.43Å; V473-H502 CarbonylContact O-C 3.57Å; V473-H502 VanDerWaalsContact O-CA 3.32Å; V473-H502 WeakPolarHBondContact O-CA 3.27Å; V473-E503 PolarHBondContact O-N 3.38Å
474P90.5Very high89Confident104 Ų10453.2 Ų53.268%0.67530%0.299SS*.EExtended strand (participates in β ladder)trans-58.4146177-24.734.5000112.6
475G90.1Very high88.5Confident26 Ų2654.2 Ų54.227%0.26830%0.299SS..EExtended strand (participates in β ladder)trans111.1-172.1174.300000114.7R504G475-R504 PolarHBondContact O-N 3.25Å
476T92.8Very high87.9Confident14 Ų1454.5 Ų54.59%0.08630%0.301CS..EExtended strand (participates in β ladder)trans-117.2127.8-177.1-59.50000110.8V478 R504 I506 T567 S568T476-V478 HydrophobicContact CG2-CG2 4.45Å; T476-R504 WeakPolarHBondContact CA-O 3.14Å; T476-R504 HydrophobicContact CG2-CB 4.24Å; T476-R504 HydrophobicContact CG2-CG 4.15Å; T476-I506 HydrophobicContact CG2-CD1 3.63Å; T476-I506 HydrophobicContact CG2-CG1 4.11Å; T476-T567 HydrophobicContact CG2-CG2 4.14Å; T476-T567 CarbonylContact O-C 3.57Å; T476-T567 VanDerWaalsContact O-CA 3.3Å; T476-T567 WeakPolarHBondContact O-CA 3.14Å; T476-S568 PolarHBondContact O-N 3.48Å
477A93.6Very high87.6Confident0 Ų052.2 Ų52.20%029%0.291CS..EExtended strand (participates in β ladder)trans-107.9127.7171.500000110.6Y479 H502 R504 V505 I506 S568 F570A477-Y479 HydrophobicContact CB-CD2 4.34Å; A477-Y479 HydrophobicContact CB-CE2 3.69Å; A477-H502 HydrophobicContact CB-CB 3.77Å; A477-H502 VanDerWaalsContact CB-CG 3.5Å; A477-R504 PolarHBondContact N-O 3.15Å; A477-V505 CarbonylContact O-C 3.46Å; A477-V505 WeakPolarHBondContact O-CA 3.35Å; A477-I506 PolarHBondContact O-N 3.18Å; A477-S568 WeakPolarHBondContact CA-O 3.22Å; A477-F570 HydrophobicContact CB-CD2 3.8Å; A477-F570 HydrophobicContact CB-CE2 3.62Å
478V93.9Very high87.3Confident0 Ų043.9 Ų43.90%026%0.255CS..EExtended strand (participates in β ladder)trans-107.2114174.5174.50000108.8T476 M480 I506 L508 F552 T567 S568 F569 F570T476-V478 HydrophobicContact CG2-CG2 4.45Å; V478-M480 HydrophobicContact CG1-SD 4.4Å; V478-I506 CarbonylContact C-O 3.53Å; V478-I506 WeakPolarHBondContact CA-O 3.43Å; V478-I506 HydrophobicContact CB-CB 4.46Å; V478-I506 HydrophobicContact CG1-CG2 4.48Å; V478-I506 HydrophobicContact CG2-CB 3.77Å; V478-I506 HydrophobicContact CG2-CD1 4Å; V478-I506 HydrophobicContact CG2-CG1 4.35Å; V478-I506 HydrophobicContact CG2-CG2 4.22Å; V478-L508 HydrophobicContact CG1-CB 3.63Å; V478-L508 HydrophobicContact CG1-CD2 4.04Å; V478-L508 HydrophobicContact CG1-CG 4.5Å; V478-F552 HydrophobicContact CB-CZ 4.5Å; V478-F552 HydrophobicContact CG2-CE1 4.28Å; V478-F552 HydrophobicContact CG2-CZ 3.62Å; V478-T567 HydrophobicContact CB-CG2 4.22Å; V478-T567 HydrophobicContact CG2-CG2 3.42Å; V478-T567 VanDerWaalsContact CG2-CG2 3.42Å; V478-S568 PolarHBondContact N-O 3.39Å; V478-F569 HydrophobicContact CB-CD1 3.77Å; V478-F569 HydrophobicContact CB-CE1 3.88Å; V478-F569 HydrophobicContact CB-CG 4.47Å; V478-F569 HydrophobicContact CG1-CD1 3.7Å; V478-F569 HydrophobicContact CG1-CE1 3.71Å; V478-F569 HydrophobicContact CG2-CE1 4.28Å; V478-F569 CarbonylContact O-C 3.41Å; V478-F569 WeakPolarHBondContact O-CA 3.41Å; V478-F570 PolarHBondContact O-N 2.81Å
479Y92.8Very high86.9Confident0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-95.6120.1173.8-66.6-91.9000109.2A477 S481 A490 L491 N494 V505 I506 L508 F570A477-Y479 HydrophobicContact CB-CD2 4.34Å; A477-Y479 HydrophobicContact CB-CE2 3.69Å; Y479-S481 PolarHBondContact O-N 3.01Å; Y479-A490 HydrophobicContact CD1-CB 3.99Å; Y479-A490 HydrophobicContact CE1-CB 4.42Å; Y479-L491 HydrophobicContact CD1-CB 3.65Å; Y479-L491 HydrophobicContact CD1-CD1 4.36Å; Y479-L491 HydrophobicContact CD2-CD1 4.18Å; Y479-L491 HydrophobicContact CE1-CB 3.79Å; Y479-L491 HydrophobicContact CE1-CD1 3.92Å; Y479-L491 HydrophobicContact CE1-CG 4.48Å; Y479-L491 HydrophobicContact CE2-CD1 3.7Å; Y479-L491 HydrophobicContact CG-CB 4.08Å; Y479-L491 HydrophobicContact CG-CD1 4.47Å; Y479-N494 HydrophobicContact CE1-CB 4.36Å; Y479-N494 PolarHBondContact OH-ND2 3.05Å; Y479-V505 HydrophobicContact CD2-CG1 3.59Å; Y479-V505 HydrophobicContact CE2-CG1 3.71Å; Y479-I506 PolarHBondContact N-O 3.39Å; Y479-L508 PolarHBondContact O-N 3.25Å; Y479-F570 HydrophobicContact CD1-CB 3.36Å; Y479-F570 HydrophobicContact CD1-CG 4.08Å; Y479-F570 HydrophobicContact CE1-CB 3.39Å; Y479-F570 HydrophobicContact CE1-CD1 4.03Å; Y479-F570 HydrophobicContact CE1-CD2 4.15Å; Y479-F570 AromaticContact CE1-CG 3.6Å; Y479-F570 HydrophobicContact CE1-CG 3.6Å; Y479-F570 HydrophobicContact CE2-CD2 4.39Å; Y479-F570 HydrophobicContact CG-CB 4.07Å; Y479-F570 AromaticContact CZ-CG 3.93Å
480M88.4Confident87Confident25 Ų2538 Ų3812%0.12321%0.211CC..EExtended strand (participates in β ladder)trans-72.5117.5176.2-64-61.7-7400109.5V478 L508 L510 F570 M571 F606V478-M480 HydrophobicContact CG1-SD 4.4Å; M480-L508 HydrophobicContact CE-CD2 4.31Å; M480-L508 HydrophobicContact CE-CG 4.46Å; M480-L508 HydrophobicContact SD-CB 3.99Å; M480-L508 HydrophobicContact SD-CD2 3.68Å; M480-L508 HydrophobicContact SD-CG 3.95Å; M480-L510 HydrophobicContact CE-CD1 3.66Å; M480-L510 HydrophobicContact CE-CG 3.99Å; M480-F570 PolarHBondContact N-O 2.86Å; M480-M571 HydrophobicContact CB-CE 4.27Å; M480-M571 HydrophobicContact CB-CG 4.08Å; M480-M571 HydrophobicContact CG-CE 3.95Å; M480-M571 HydrophobicContact CG-CG 3.62Å; M480-M571 HydrophobicContact CG-SD 3.91Å; M480-F606 HydrophobicContact CE-CD2 3.82Å; M480-F606 HydrophobicContact CE-CE2 4.04Å
481S83.8Confident87Confident15 Ų1536.4 Ų36.411%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-104.3143.2175.6-167.30000111.5Y479 A483 V486 L508Y479-S481 PolarHBondContact O-N 3.01Å; S481-A483 PolarHBondContact OG-N 3.3Å; S481-A483 PolarHBondContact OG-O 3.31Å; S481-V486 PolarHBondContact OG-O 3.39Å; S481-L508 PolarHBondContact N-O 3.4Å
482R76.4Confident86.7Confident134 Ų13435.1 Ų35.151%0.50619%0.189SC..SBendtrans-82.3-19.8172.5-65.7-178.2177.1173.50.9112.3M451 E574M451-R482 VanDerWaalsContact CE-NH1 3.31Å; M451-R482 PolarHBondContact SD-NH1 2.96Å; R482-E574 IonicContact CZ-OE1 3.79Å; R482-E574 IonicContact CZ-OE2 3.76Å; R482-E574 VanDerWaalsContact CZ-OE2 3.24Å; R482-E574 IonicContact NE-OE1 2.65Å; R482-E574 IonicContact NH1-OE1 3.05Å; R482-E574 PolarHBondContact NH1-OE1 3.28Å; R482-E574 VanDerWaalsContact NH1-OE1 3.11Å; R482-E574 IonicContact NH1-OE2 2.96Å; R482-E574 PolarHBondContact NH1-OE2 3.33Å; R482-E574 IonicContact NH2-OE1 2.69Å; R482-E574 PolarHBondContact NH2-OE1 2.95Å; R482-E574 IonicContact NH2-OE2 3.19Å; R482-E574 PolarHBondContact NH2-OE2 2.97Å
483A78.1Confident86.4Confident24 Ų2434.5 Ų34.520%0.19819%0.188CC..SBendtrans-152.7151.7-177.300000112.1S481 N485 V486S481-A483 PolarHBondContact OG-N 3.3Å; S481-A483 PolarHBondContact OG-O 3.31Å; A483-N485 VanDerWaalsContact C-N 3.32Å; A483-N485 PolarHBondContact O-N 3.27Å; A483-V486 HydrophobicContact CB-CB 4.14Å; A483-V486 HydrophobicContact CB-CG2 3.7Å; A483-V486 PolarHBondContact O-N 3.1Å
484I82.3Confident86.3Confident37 Ų3732.4 Ų32.419%0.1918%0.176CC..THydrogen-bonded Turntrans-61.5-32.9-170.7-77.2-176.5000114.1L458 R511 R535 V537L458-I484 WeakPolarHBondContact CD2-O 3.5Å; I484-R511 VanDerWaalsContact CG1-NH2 3.26Å; I484-R535 PolarHBondContact O-NH1 3.26Å; I484-V537 HydrophobicContact CD1-CG1 4.38Å; I484-V537 HydrophobicContact CD1-CG2 3.64Å; I484-V537 HydrophobicContact CG1-CG2 3.74Å
485N78.6Confident86.3Confident95 Ų9529.1 Ų29.151%0.50815%0.152SC..THydrogen-bonded Turntrans-11819.9-173.6-71.9-16.7000113.1A483 R535A483-N485 VanDerWaalsContact C-N 3.32Å; A483-N485 PolarHBondContact O-N 3.27Å; N485-R535 PolarHBondContact OD1-NH1 2.99Å
486V78.8Confident86.2Confident28 Ų2835 Ų3517%0.1717%0.17CC..SBendtrans-109.7133.8-180178.70000109S481 A483 P488S481-V486 PolarHBondContact OG-O 3.39Å; A483-V486 HydrophobicContact CB-CB 4.14Å; A483-V486 HydrophobicContact CB-CG2 3.7Å; A483-V486 PolarHBondContact O-N 3.1Å; V486-P488 WeakPolarHBondContact O-CD 3.5Å
487I84.6Confident85.9Confident10 Ų1039.8 Ų39.85%0.05119%0.192CC..  trans-66.2123.2174.9-59.4168000108.9N456 L458 M461 F489 L491 M492N456-I487 HydrophobicContact CB-CD1 3.75Å; N456-I487 VanDerWaalsContact O-CD1 3.26Å; N456-I487 WeakPolarHBondContact O-CD1 3.49Å; L458-I487 HydrophobicContact CB-CG1 4.15Å; L458-I487 HydrophobicContact CD1-CB 4.49Å; L458-I487 HydrophobicContact CD1-CG1 3.91Å; M461-I487 HydrophobicContact CB-CD1 3.78Å; M461-I487 HydrophobicContact CB-CG1 4.4Å; M461-I487 HydrophobicContact CE-CG1 4.24Å; M461-I487 HydrophobicContact CE-CG2 4.09Å; M461-I487 HydrophobicContact CG-CD1 4.18Å; M461-I487 HydrophobicContact SD-CB 4.28Å; M461-I487 HydrophobicContact SD-CD1 3.72Å; M461-I487 HydrophobicContact SD-CG1 3.86Å; M461-I487 HydrophobicContact SD-CG2 3.41Å; M461-I487 WeakPolarHBondContact SD-CG2 3.44Å; I487-F489 PolarHBondContact O-N 2.85Å; I487-L491 HydrophobicContact CG2-CD2 4.49Å; I487-M492 HydrophobicContact CB-SD 4.47Å; I487-M492 HydrophobicContact CG2-CG 3.52Å; I487-M492 HydrophobicContact CG2-SD 3.97Å
488P85.5Confident85.8Confident7 Ų744 Ų445%0.04521%0.214CC..  trans-62.7131.4174.9-22.534.2000111.2V486 A490 L491 M492 L507V486-P488 WeakPolarHBondContact O-CD 3.5Å; P488-A490 PolarHBondContact O-N 3.42Å; P488-L491 HydrophobicContact CB-CB 4.25Å; P488-L491 VanDerWaalsContact O-CB 3.31Å; P488-L491 WeakPolarHBondContact O-CB 3.36Å; P488-L491 PolarHBondContact O-N 2.92Å; P488-M492 PolarHBondContact O-N 3.15Å; P488-L507 HydrophobicContact CG-CD2 3.96Å
489F81.5Confident85.6Confident42 Ų4251 Ų5118%0.18424%0.244CC..Hα-helixtrans-57.9-36.8177.7-79.5-84.4000112.6M451 I487 L491 M492 H493M451-F489 HydrophobicContact CB-CE2 3.8Å; M451-F489 HydrophobicContact CB-CZ 4.11Å; M451-F489 HydrophobicContact CE-CD2 3.34Å; M451-F489 HydrophobicContact CE-CE2 3.23Å; M451-F489 HydrophobicContact CE-CG 4.47Å; M451-F489 HydrophobicContact CE-CZ 4.29Å; M451-F489 HydrophobicContact CG-CE2 3.84Å; M451-F489 HydrophobicContact CG-CZ 4.12Å; M451-F489 HydrophobicContact SD-CE2 4.42Å; I487-F489 PolarHBondContact O-N 2.85Å; F489-L491 PolarHBondContact O-N 3.06Å; F489-M492 PolarHBondContact O-N 3.34Å; F489-H493 WeakPolarHBondContact O-CB 3.24Å; F489-H493 PolarHBondContact O-CD2 3.46Å; F489-H493 PolarHBondContact O-N 2.83Å
490A87.9Confident85.6Confident1 Ų152.8 Ų52.81%0.00826%0.256CS..Hα-helixtrans-59.3-35.3175.500000112.2Y479 P488 N494 F570 L616Y479-A490 HydrophobicContact CD1-CB 3.99Å; Y479-A490 HydrophobicContact CE1-CB 4.42Å; P488-A490 PolarHBondContact O-N 3.42Å; A490-N494 WeakPolarHBondContact O-CB 3.37Å; A490-N494 PolarHBondContact O-N 2.72Å; A490-F570 HydrophobicContact CB-CB 4.2Å; A490-L616 HydrophobicContact CB-CD1 4.27Å; A490-L616 VanDerWaalsContact O-CD1 3.25Å; A490-L616 WeakPolarHBondContact O-CD1 3.4Å
491L90Very high85.8Confident0 Ų051.6 Ų51.60%025%0.25CC..Hα-helixtrans-67.8-47.4175.8179.462000111.1M461 Y479 I487 P488 F489 H493 N494 L495 L501 L507 F533M461-L491 HydrophobicContact CE-CD2 3.45Å; M461-L491 VanDerWaalsContact CE-CD2 3.45Å; M461-L491 HydrophobicContact SD-CD2 4.11Å; Y479-L491 HydrophobicContact CD1-CB 3.65Å; Y479-L491 HydrophobicContact CD1-CD1 4.36Å; Y479-L491 HydrophobicContact CD2-CD1 4.18Å; Y479-L491 HydrophobicContact CE1-CB 3.79Å; Y479-L491 HydrophobicContact CE1-CD1 3.92Å; Y479-L491 HydrophobicContact CE1-CG 4.48Å; Y479-L491 HydrophobicContact CE2-CD1 3.7Å; Y479-L491 HydrophobicContact CG-CB 4.08Å; Y479-L491 HydrophobicContact CG-CD1 4.47Å; I487-L491 HydrophobicContact CG2-CD2 4.49Å; P488-L491 HydrophobicContact CB-CB 4.25Å; P488-L491 VanDerWaalsContact O-CB 3.31Å; P488-L491 WeakPolarHBondContact O-CB 3.36Å; P488-L491 PolarHBondContact O-N 2.92Å; F489-L491 PolarHBondContact O-N 3.06Å; L491-H493 PolarHBondContact O-N 3.35Å; L491-N494 PolarHBondContact O-N 3.45Å; L491-L495 HydrophobicContact CD1-CD1 4.15Å; L491-L495 HydrophobicContact CD1-CG 4.39Å; L491-L495 HydrophobicContact CG-CD1 4.13Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 VanDerWaalsContact O-CG 3.31Å; L491-L495 WeakPolarHBondContact O-CG 3.41Å; L491-L495 PolarHBondContact O-N 3.31Å; L491-L501 HydrophobicContact CD1-CD2 3.48Å; L491-L501 VanDerWaalsContact CD1-CD2 3.48Å; L491-L507 HydrophobicContact CD2-CD2 4.38Å; L491-F533 HydrophobicContact CD2-CE1 4.05Å
492M86.6Confident86.2Confident73 Ų7352 Ų5236%0.3625%0.25SC..Hα-helixtrans-61.1-44.2176.6-70.1-176.76500112.3I487 P488 F489 L495 K496I487-M492 HydrophobicContact CB-SD 4.47Å; I487-M492 HydrophobicContact CG2-CG 3.52Å; I487-M492 HydrophobicContact CG2-SD 3.97Å; P488-M492 PolarHBondContact O-N 3.15Å; F489-M492 PolarHBondContact O-N 3.34Å; M492-L495 PolarHBondContact O-N 3.11Å; M492-K496 VanDerWaalsContact O-CB 3.25Å; M492-K496 WeakPolarHBondContact O-CB 3.46Å; M492-K496 PolarHBondContact O-N 3.1Å
493H85.6Confident86.9Confident44 Ų4451.1 Ų51.120%0.20425%0.251CS..Hα-helixtrans-65.8-43.6178.3-91.3-101.8000111.7F489 L491 L495 K496 H497 L616 T618F489-H493 WeakPolarHBondContact O-CB 3.24Å; F489-H493 PolarHBondContact O-CD2 3.46Å; F489-H493 PolarHBondContact O-N 2.83Å; L491-H493 PolarHBondContact O-N 3.35Å; H493-L495 VanDerWaalsContact C-N 3.32Å; H493-L495 PolarHBondContact O-N 2.88Å; H493-K496 PolarHBondContact O-N 2.81Å; H493-H497 AromaticContact ND1-CD2 3.75Å; H493-H497 AromaticContact ND1-NE2 3.72Å; H493-H497 WeakPolarHBondContact O-CB 3.46Å; H493-H497 PolarHBondContact O-CD2 3.5Å; H493-H497 VanDerWaalsContact O-CD2 3.28Å; H493-H497 PolarHBondContact O-N 3.23Å; H493-L616 HydrophobicContact CB-CB 4.48Å; H493-L616 HydrophobicContact CB-CD1 4.15Å; H493-T618 PolarHBondContact NE2-OG1 2.78Å
494N90.5Very high87.6Confident2 Ų254 Ų541%0.01126%0.257CS..Hα-helixtrans-60.4-44.1176.5-176.660.3000111.2Y479 A490 L491 N498 K499 V500 L616Y479-N494 HydrophobicContact CE1-CB 4.36Å; Y479-N494 PolarHBondContact OH-ND2 3.05Å; A490-N494 WeakPolarHBondContact O-CB 3.37Å; A490-N494 PolarHBondContact O-N 2.72Å; L491-N494 PolarHBondContact O-N 3.45Å; N494-N498 WeakPolarHBondContact O-CA 3.29Å; N494-N498 WeakPolarHBondContact O-CB 3.46Å; N494-N498 PolarHBondContact O-N 3.47Å; N494-N498 PolarHBondContact OD1-ND2 2.89Å; N494-K499 PolarHBondContact O-N 3.08Å; N494-K499 VanDerWaalsContact O-N 3.11Å; N494-V500 PolarHBondContact ND2-O 2.93Å; N494-L616 HydrophobicContact CB-CD1 3.93Å
495L90.4Very high88.2Confident35 Ų3552.2 Ų52.218%0.18325%0.248CC..Hα-helixtrans-63.3-42.2174.8-75.1171.6000112.9L465 P470 L491 M492 H493 K499 L501L465-L495 HydrophobicContact CD1-CD1 3.89Å; L465-L495 HydrophobicContact CD2-CD1 4.02Å; L465-L495 HydrophobicContact CD2-CD2 4.12Å; P470-L495 HydrophobicContact CB-CD2 4.45Å; P470-L495 HydrophobicContact CG-CD2 3.84Å; L491-L495 HydrophobicContact CD1-CD1 4.15Å; L491-L495 HydrophobicContact CD1-CG 4.39Å; L491-L495 HydrophobicContact CG-CD1 4.13Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 VanDerWaalsContact O-CG 3.31Å; L491-L495 WeakPolarHBondContact O-CG 3.41Å; L491-L495 PolarHBondContact O-N 3.31Å; M492-L495 PolarHBondContact O-N 3.11Å; H493-L495 VanDerWaalsContact C-N 3.32Å; H493-L495 PolarHBondContact O-N 2.88Å; L495-K499 WeakPolarHBondContact O-CA 3.32Å; L495-K499 PolarHBondContact O-N 2.92Å; L495-L501 HydrophobicContact CD2-CD1 3.89Å; L495-L501 HydrophobicContact CD2-CD2 3.65Å; L495-L501 HydrophobicContact CD2-CG 3.55Å; L495-L501 HydrophobicContact CG-CD2 4.04Å; L495-L501 HydrophobicContact CG-CG 4.46Å
496K87.1Confident89Confident149 Ų14947.7 Ų47.765%0.64822%0.224SC*.Hα-helixtrans-66.7-44.5-179.4-178-179.6179.2-176.90112.6M492 H493M492-K496 VanDerWaalsContact O-CB 3.25Å; M492-K496 WeakPolarHBondContact O-CB 3.46Å; M492-K496 PolarHBondContact O-N 3.1Å; H493-K496 PolarHBondContact O-N 2.81Å
497H88.4Confident89.7Confident115 Ų11546.6 Ų46.653%0.53222%0.217SC..Hα-helixtrans-97.4-46.5-170.1-68.3-74.1000113H493H493-H497 AromaticContact ND1-CD2 3.75Å; H493-H497 AromaticContact ND1-NE2 3.72Å; H493-H497 WeakPolarHBondContact O-CB 3.46Å; H493-H497 PolarHBondContact O-CD2 3.5Å; H493-H497 VanDerWaalsContact O-CD2 3.28Å; H493-H497 PolarHBondContact O-N 3.23Å
498N90.1Very high90Very high88 Ų8846.1 Ų46.147%0.47122%0.215SC..THydrogen-bonded Turntrans-94-20.9-175.9-57.9-30.2000112.5N494 V500N494-N498 WeakPolarHBondContact O-CA 3.29Å; N494-N498 WeakPolarHBondContact O-CB 3.46Å; N494-N498 PolarHBondContact O-N 3.47Å; N494-N498 PolarHBondContact OD1-ND2 2.89Å; N498-V500 HydrophobicContact CB-CG2 3.81Å; N498-V500 PolarHBondContact O-N 3.49Å; N498-V500 VanDerWaalsContact O-N 3.14Å
499K89.8Confident90.3Very high146 Ų14646 Ų4664%0.63521%0.213SC*.  trans55.927.8178.3-54.4-179.1-178.3178.80114.2N494 L495N494-K499 PolarHBondContact O-N 3.08Å; N494-K499 VanDerWaalsContact O-N 3.11Å; L495-K499 WeakPolarHBondContact O-CA 3.32Å; L495-K499 PolarHBondContact O-N 2.92Å
500V92.4Very high90.5Very high39 Ų3945.5 Ų45.524%0.23621%0.213CC..EExtended strand (participates in β ladder)trans-125.2152.4179.5-660000110.9V471 V473 N494 N498V471-V500 HydrophobicContact CB-CG1 4.18Å; V471-V500 HydrophobicContact CG1-CG1 4.3Å; V471-V500 CarbonylContact O-C 3.51Å; V471-V500 VanDerWaalsContact O-CA 3.29Å; V471-V500 WeakPolarHBondContact O-CA 3.43Å; V473-V500 HydrophobicContact CG1-CB 4.42Å; V473-V500 HydrophobicContact CG1-CG1 4.39Å; N494-V500 PolarHBondContact ND2-O 2.93Å; N498-V500 HydrophobicContact CB-CG2 3.81Å; N498-V500 PolarHBondContact O-N 3.49Å; N498-V500 VanDerWaalsContact O-N 3.14Å
501L92.9Very high90.2Very high0 Ų050.5 Ų50.50%023%0.231CC..EExtended strand (participates in β ladder)trans-129.3158.1166.1-74.3179.1000109.7L465 P470 V471 R472 V473 L491 L495 F533L465-L501 HydrophobicContact CD1-CD1 4.19Å; L465-L501 HydrophobicContact CD2-CD1 4.21Å; P470-L501 HydrophobicContact CG-CB 4.12Å; P470-L501 HydrophobicContact CG-CD1 3.51Å; P470-L501 HydrophobicContact CG-CG 3.63Å; V471-L501 PolarHBondContact O-N 2.95Å; R472-L501 CarbonylContact C-O 3.57Å; R472-L501 WeakPolarHBondContact CA-O 3.33Å; V473-L501 PolarHBondContact N-O 2.95Å; L491-L501 HydrophobicContact CD1-CD2 3.48Å; L491-L501 VanDerWaalsContact CD1-CD2 3.48Å; L495-L501 HydrophobicContact CD2-CD1 3.89Å; L495-L501 HydrophobicContact CD2-CD2 3.65Å; L495-L501 HydrophobicContact CD2-CG 3.55Å; L495-L501 HydrophobicContact CG-CD2 4.04Å; L495-L501 HydrophobicContact CG-CG 4.46Å; L501-F533 HydrophobicContact CD1-CZ 4.23Å
502H93.1Very high89.6Confident23 Ų2354.8 Ų54.811%0.10626%0.258CS..EExtended strand (participates in β ladder)trans-82.7159.5171.8-6754.6000109.8R472 V473 A477 R504 F570R472-H502 WeakPolarHBondContact CD-O 3.47Å; R472-H502 PolarHBondContact NH1-O 2.9Å; V473-H502 HydrophobicContact CG2-CB 4.43Å; V473-H502 CarbonylContact O-C 3.57Å; V473-H502 VanDerWaalsContact O-CA 3.32Å; V473-H502 WeakPolarHBondContact O-CA 3.27Å; A477-H502 HydrophobicContact CB-CB 3.77Å; A477-H502 VanDerWaalsContact CB-CG 3.5Å; H502-R504 PolarHBondContact O-N 3.18Å; H502-F570 AromaticContact CE1-CE2 3.71Å; H502-F570 AromaticContact CE1-CZ 3.67Å
503E91.2Very high88.9Confident115 Ų11555 Ų5554%0.53726%0.258SS..EExtended strand (participates in β ladder)trans-56-39174.7-74.3173.8174.200112.1R472 V473 T532R472-E503 HydrophobicContact CB-CG 4.5Å; V473-E503 PolarHBondContact O-N 3.38Å; E503-T532 WeakPolarHBondContact O-CB 3.35Å
504R92.9Very high87.7Confident84 Ų8458.6 Ų58.632%0.31728%0.279SS..EExtended strand (participates in β ladder)trans-117124.6174-171.3-179.8-63.91700.4110.8G475 T476 A477 H502 I506 S561G475-R504 PolarHBondContact O-N 3.25Å; T476-R504 WeakPolarHBondContact CA-O 3.14Å; T476-R504 HydrophobicContact CG2-CB 4.24Å; T476-R504 HydrophobicContact CG2-CG 4.15Å; A477-R504 PolarHBondContact N-O 3.15Å; H502-R504 PolarHBondContact O-N 3.18Å; R504-I506 HydrophobicContact CG-CG1 4.45Å; R504-S561 PolarHBondContact NH1-O 3.44Å
505V94.3Very high86.2Confident0 Ų060.3 Ų60.30%029%0.293CS..EExtended strand (participates in β ladder)trans-116.8121.4177.9-178.40000109.6A477 Y479 L507 T532 F533 W534A477-V505 CarbonylContact O-C 3.46Å; A477-V505 WeakPolarHBondContact O-CA 3.35Å; Y479-V505 HydrophobicContact CD2-CG1 3.59Å; Y479-V505 HydrophobicContact CE2-CG1 3.71Å; V505-L507 HydrophobicContact CG1-CD2 4.37Å; V505-T532 PolarHBondContact N-O 3.27Å; V505-F533 HydrophobicContact CB-CD1 3.84Å; V505-F533 HydrophobicContact CB-CE1 3.82Å; V505-F533 HydrophobicContact CB-CG 4.29Å; V505-F533 HydrophobicContact CB-CZ 4.25Å; V505-F533 HydrophobicContact CG1-CD1 3.66Å; V505-F533 HydrophobicContact CG1-CE1 3.43Å; V505-F533 VanDerWaalsContact CG1-CE1 3.43Å; V505-F533 HydrophobicContact CG1-CZ 4.18Å; V505-F533 HydrophobicContact CG2-CE1 4.36Å; V505-F533 HydrophobicContact CG2-CZ 4.33Å; V505-F533 CarbonylContact O-C 3.45Å; V505-F533 WeakPolarHBondContact O-CA 3.39Å; V505-W534 PolarHBondContact O-N 2.94Å
506I94.4Very high84.4Confident1 Ų159.8 Ų59.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-110.2126.3178.2-60.9173.4000109T476 A477 V478 Y479 R504 W534 V536 L560 C562T476-I506 HydrophobicContact CG2-CD1 3.63Å; T476-I506 HydrophobicContact CG2-CG1 4.11Å; A477-I506 PolarHBondContact O-N 3.18Å; V478-I506 CarbonylContact C-O 3.53Å; V478-I506 WeakPolarHBondContact CA-O 3.43Å; V478-I506 HydrophobicContact CB-CB 4.46Å; V478-I506 HydrophobicContact CG1-CG2 4.48Å; V478-I506 HydrophobicContact CG2-CB 3.77Å; V478-I506 HydrophobicContact CG2-CD1 4Å; V478-I506 HydrophobicContact CG2-CG1 4.35Å; V478-I506 HydrophobicContact CG2-CG2 4.22Å; Y479-I506 PolarHBondContact N-O 3.39Å; R504-I506 HydrophobicContact CG-CG1 4.45Å; I506-W534 CarbonylContact C-O 3.3Å; I506-W534 WeakPolarHBondContact CA-O 3.42Å; I506-W534 HydrophobicContact CG1-CB 4.18Å; I506-V536 HydrophobicContact CG2-CB 4.14Å; I506-V536 HydrophobicContact CG2-CG2 3.69Å; I506-L560 HydrophobicContact CD1-CD2 4.11Å; I506-C562 WeakPolarHBondContact CD1-SG 3.32Å
507L93.6Very high83.6Confident5 Ų557.5 Ų57.53%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-96.399171.4-53-179.8000107.9L458 I462 P488 L491 V505 L529 F533 W534 V536L458-L507 HydrophobicContact CD1-CD1 3.76Å; L458-L507 HydrophobicContact CD2-CD1 3.74Å; L458-L507 HydrophobicContact CG-CD1 4.22Å; I462-L507 HydrophobicContact CD1-CD1 4.34Å; P488-L507 HydrophobicContact CG-CD2 3.96Å; L491-L507 HydrophobicContact CD2-CD2 4.38Å; V505-L507 HydrophobicContact CG1-CD2 4.37Å; L507-L529 HydrophobicContact CD1-CD1 3.96Å; L507-F533 HydrophobicContact CD1-CD1 4.48Å; L507-F533 HydrophobicContact CG-CD1 4.49Å; L507-W534 PolarHBondContact N-O 3.31Å; L507-V536 PolarHBondContact O-N 3.15Å
508L92.6Very high83.1Confident0 Ų052.7 Ų52.70%026%0.258CS..EExtended strand (participates in β ladder)trans-94.5118.4-176.7178.358.4000110.4V478 Y479 M480 S481 L510 V536 V548 V551V478-L508 HydrophobicContact CG1-CB 3.63Å; V478-L508 HydrophobicContact CG1-CD2 4.04Å; V478-L508 HydrophobicContact CG1-CG 4.5Å; Y479-L508 PolarHBondContact O-N 3.25Å; M480-L508 HydrophobicContact CE-CD2 4.31Å; M480-L508 HydrophobicContact CE-CG 4.46Å; M480-L508 HydrophobicContact SD-CB 3.99Å; M480-L508 HydrophobicContact SD-CD2 3.68Å; M480-L508 HydrophobicContact SD-CG 3.95Å; S481-L508 PolarHBondContact N-O 3.4Å; L508-L510 HydrophobicContact CD1-CD2 4.09Å; L508-L510 HydrophobicContact CD2-CD2 4.43Å; L508-L510 HydrophobicContact CG-CD2 4.26Å; L508-L510 HydrophobicContact CG-CG 4.48Å; L508-V536 CarbonylContact C-O 3.57Å; L508-V536 WeakPolarHBondContact CA-O 3.2Å; L508-V536 HydrophobicContact CD1-CB 3.93Å; L508-V536 HydrophobicContact CD1-CG1 3.64Å; L508-V548 HydrophobicContact CD2-CG2 4.5Å; L508-V551 HydrophobicContact CD1-CG1 4.13Å
509T90.2Very high82.7Confident3 Ų355 Ų552%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-111.2118172.5-53.70000109.4R511 V536 V537 A538T509-R511 HydrophobicContact CG2-CG 4.07Å; T509-V536 PolarHBondContact N-O 3.31Å; T509-V537 WeakPolarHBondContact O-CA 3.36Å; T509-A538 PolarHBondContact O-N 2.83Å
510L86.1Confident82.3Confident33 Ų3352.6 Ų52.617%0.17326%0.26CS..EExtended strand (participates in β ladder)trans-92.8123.5172.2-60.4179.5000109.4M480 L508 A538 P546 V551 F606M480-L510 HydrophobicContact CE-CD1 3.66Å; M480-L510 HydrophobicContact CE-CG 3.99Å; L508-L510 HydrophobicContact CD1-CD2 4.09Å; L508-L510 HydrophobicContact CD2-CD2 4.43Å; L508-L510 HydrophobicContact CG-CD2 4.26Å; L508-L510 HydrophobicContact CG-CG 4.48Å; L510-A538 WeakPolarHBondContact CA-O 3.33Å; L510-A538 HydrophobicContact CD2-CB 3.62Å; L510-P546 HydrophobicContact CD1-CB 4.28Å; L510-V551 HydrophobicContact CD2-CG2 4.37Å; L510-F606 HydrophobicContact CB-CE1 4.28Å; L510-F606 HydrophobicContact CB-CZ 4.42Å; L510-F606 HydrophobicContact CD1-CB 3.96Å; L510-F606 HydrophobicContact CD1-CD1 3.24Å; L510-F606 HydrophobicContact CD1-CD2 3.71Å; L510-F606 HydrophobicContact CD1-CE1 3.49Å; L510-F606 VanDerWaalsContact CD1-CE1 3.49Å; L510-F606 HydrophobicContact CD1-CE2 3.95Å; L510-F606 HydrophobicContact CD1-CG 3.35Å; L510-F606 HydrophobicContact CD1-CZ 3.84Å
511R82.7Confident81.7Confident105 Ų10556.1 Ų56.140%0.39628%0.281SS..EExtended strand (participates in β ladder)trans-117.1138.6179.1-68.1-174.3168.4-170.1-10.2110I484 T509 V537 A538 S539 Y540I484-R511 VanDerWaalsContact CG1-NH2 3.26Å; T509-R511 HydrophobicContact CG2-CG 4.07Å; R511-V537 HydrophobicContact CG-CG1 4.13Å; R511-A538 PolarHBondContact N-O 3.09Å; R511-S539 WeakPolarHBondContact O-CA 3.22Å; R511-Y540 PolarHBondContact O-N 2.87Å
512T75.7Confident81.2Confident91 Ų9165.1 Ų65.156%0.55832%0.315SS*.EExtended strand (participates in β ladder)trans-100.1121.4167.8-53.10000108.1Y540 W542T512-Y540 CarbonylContact C-O 3.51Å; T512-Y540 VanDerWaalsContact CA-O 3.29Å; T512-Y540 WeakPolarHBondContact CA-O 3.32Å; T512-W542 HydrophobicContact CG2-CB 4.07Å
513E72.2Confident80.8Confident78 Ų7865 Ų6536%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-85.1154177.3-62.7-66.5161.400110.8A515 V518 S539 Y540E513-A515 PolarHBondContact O-N 3.16Å; E513-V518 HydrophobicContact CB-CG2 3.69Å; E513-V518 HydrophobicContact CG-CG2 3.53Å; E513-S539 WeakPolarHBondContact OE1-CB 3.35Å; E513-S539 PolarHBondContact OE1-OG 3.47Å; E513-Y540 PolarHBondContact N-O 3.49Å
514D61.1Low80.8Confident119 Ų11959.9 Ų59.964%0.63629%0.29SS*.SBendtrans-73.627.5176.7-74.8-22.1000113.3
515A59.6Low80.7Confident37 Ų3761.3 Ų61.331%0.30630%0.301SS..SBendtrans-125.9148.5177.900000110.1E513 Y517 G541 W542E513-A515 PolarHBondContact O-N 3.16Å; A515-Y517 VanDerWaalsContact C-N 3.3Å; A515-Y517 PolarHBondContact O-N 3.13Å; A515-G541 CarbonylContact O-C 3.47Å; A515-G541 WeakPolarHBondContact O-CA 3.45Å; A515-W542 VanDerWaalsContact C-NE1 3.26Å; A515-W542 PolarHBondContact O-N 2.88Å
516P52.4Low80.6Confident24 Ų2463.2 Ų63.216%0.15631%0.311CS..SBendtrans-62.1-39.4-178.221.1-31.5000112.3A78 G541 W542 R543A78-P516 VanDerWaalsContact CB-CD 3.47Å; A78-P516 HydrophobicContact CB-CG 3.79Å; P516-G541 CarbonylContact O-C 3.52Å; P516-G541 VanDerWaalsContact O-C 3.3Å; P516-G541 WeakPolarHBondContact O-CA 3.34Å; P516-W542 VanDerWaalsContact CA-CE2 3.42Å; P516-W542 HydrophobicContact CB-CD2 4.29Å; P516-W542 HydrophobicContact CB-CH2 3.88Å; P516-W542 HydrophobicContact CB-CZ2 3.5Å; P516-W542 HydrophobicContact CB-CZ3 4.45Å; P516-W542 HydrophobicContact CG-CZ2 4.21Å; P516-W542 PolarHBondContact O-N 2.82Å; P516-R543 HydrophobicContact CB-CB 4.48Å; P516-R543 HydrophobicContact CB-CG 3.84Å; P516-R543 WeakPolarHBondContact O-CA 3.35Å; P516-R543 VanDerWaalsContact O-CB 3.23Å; P516-R543 WeakPolarHBondContact O-CB 3.2Å; P516-R543 PolarHBondContact O-N 3.41Å
517Y69.6Low80.5Confident102 Ų10267.6 Ų67.640%0.433%0.331SS..SBendtrans-132.2141.1178.6-57.2-82.9000108.3M1 A515 R543 E544M1-Y517 HydrophobicContact CE-CE2 4.26Å; A515-Y517 VanDerWaalsContact C-N 3.3Å; A515-Y517 PolarHBondContact O-N 3.13Å; Y517-R543 HydrophobicContact CD1-CB 4.35Å; Y517-R543 HydrophobicContact CE1-CB 3.8Å; Y517-R543 HydrophobicContact CE2-CB 4.37Å; Y517-R543 HydrophobicContact CE2-CG 4.47Å; Y517-R543 WeakPolarHBondContact OH-CD 3.48Å; Y517-E544 HydrophobicContact CD1-CG 3.72Å; Y517-E544 HydrophobicContact CE1-CG 4.36Å
518V78.9Confident80.4Confident14 Ų1472.3 Ų72.39%0.08535%0.353CS..  trans-96.7127.4168.6172.60000108.3E513 N520 R522 R523 S539 G541 E544E513-V518 HydrophobicContact CB-CG2 3.69Å; E513-V518 HydrophobicContact CG-CG2 3.53Å; V518-N520 PolarHBondContact O-N 2.98Å; V518-R522 HydrophobicContact CG1-CB 4.01Å; V518-R523 HydrophobicContact CG1-CB 4.45Å; V518-S539 WeakPolarHBondContact CB-O 3.24Å; V518-S539 WeakPolarHBondContact CG1-O 3.32Å; V518-G541 VanDerWaalsContact CG2-N 3.27Å; V518-E544 PolarHBondContact N-OE2 3.46Å
519H81.8Confident80.4Confident135 Ų13574.3 Ų74.363%0.62536%0.363SS*.  trans-54.1137.1177.3-170.8-87.4000110.1V521 R522 R523H519-V521 PolarHBondContact ND1-N 3.41Å; H519-V521 PolarHBondContact O-N 2.87Å; H519-R522 PolarHBondContact O-N 3.36Å; H519-R523 PolarHBondContact O-N 2.96Å
520N80.6Confident80.4Confident97 Ų9775 Ų7552%0.51937%0.368SS..G310 helixtrans-53-37.3-169.5-78.4-24.3000114.3V518 R522 R523 R554V518-N520 PolarHBondContact O-N 2.98Å; N520-R522 VanDerWaalsContact C-N 3.28Å; N520-R522 PolarHBondContact O-N 3.46Å; N520-R523 WeakPolarHBondContact O-CB 3.22Å; N520-R523 PolarHBondContact O-N 3.45Å; N520-R523 PolarHBondContact OD1-NH2 3.48Å; N520-R554 VanDerWaalsContact CA-NH1 3.31Å; N520-R554 PolarHBondContact O-NH1 3.29Å; N520-R554 VanDerWaalsContact O-NH1 3.08Å; N520-R554 PolarHBondContact OD1-NH1 3.16Å; N520-R554 VanDerWaalsContact OD1-NH1 3.1Å; N520-R554 PolarHBondContact OD1-NH2 3.03Å
521V79.9Confident80.5Confident112 Ų11278.4 Ų78.468%0.67939%0.392SS*.G310 helixtrans-66.2-25.3178.3-179.50000113.4H519H519-V521 PolarHBondContact ND1-N 3.41Å; H519-V521 PolarHBondContact O-N 2.87Å
522R81.4Confident81Confident189 Ų18974.7 Ų74.771%0.71338%0.381SS*.G310 helixtrans-99.71.8178.5-64.3-174.4-177.7179.30.9112.7V518 H519 N520V518-R522 HydrophobicContact CG1-CB 4.01Å; H519-R522 PolarHBondContact O-N 3.36Å; N520-R522 VanDerWaalsContact C-N 3.28Å; N520-R522 PolarHBondContact O-N 3.46Å
523R86.1Confident81.8Confident22 Ų2270.4 Ų70.48%0.08336%0.355CS..SBendtrans-72.2-33.1-172-168.7173.3-63.2-175.6-1.9112.1V518 H519 N520 A538 S539 Y540 E544 E550V518-R523 HydrophobicContact CG1-CB 4.45Å; H519-R523 PolarHBondContact O-N 2.96Å; N520-R523 WeakPolarHBondContact O-CB 3.22Å; N520-R523 PolarHBondContact O-N 3.45Å; N520-R523 PolarHBondContact OD1-NH2 3.48Å; R523-A538 CarbonylContact O-C 3.58Å; R523-A538 WeakPolarHBondContact O-CA 3.11Å; R523-S539 WeakPolarHBondContact CG-O 3.18Å; R523-S539 PolarHBondContact O-N 3.26Å; R523-Y540 HydrophobicContact CG-CE1 4.4Å; R523-Y540 HydrophobicContact CG-CE2 4.49Å; R523-E544 IonicContact CZ-OE1 2.89Å; R523-E544 IonicContact NH2-OE1 3.97Å; R523-E544 PolarHBondContact NH2-OE1 3.46Å; R523-E544 IonicContact NH2-OE2 3.11Å; R523-E550 IonicContact CZ-OE1 3.55Å; R523-E550 IonicContact NH1-OE1 3.83Å; R523-E550 PolarHBondContact NH1-OE1 3.49Å; R523-E550 IonicContact NH1-OE2 3.85Å; R523-E550 PolarHBondContact NH1-OE2 3.36Å
524V90.7Very high82.9Confident6 Ų669.1 Ų69.14%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-129.8135.5179.7-178.90000108.4I526 V536 V537 A538 V551 R554V524-I526 HydrophobicContact CG1-CD1 4.32Å; V524-I526 HydrophobicContact CG1-CG1 3.85Å; V524-V536 HydrophobicContact CG1-CG1 3.91Å; V524-V537 CarbonylContact C-O 3.58Å; V524-V537 WeakPolarHBondContact CA-O 3.38Å; V524-A538 HydrophobicContact CG2-CB 4.38Å; V524-V551 HydrophobicContact CG2-CG1 4.32Å; V524-R554 HydrophobicContact CB-CB 4.49Å; V524-R554 HydrophobicContact CG2-CB 3.86Å
525Q91.1Very high84.4Confident114 Ų11464.5 Ų64.553%0.53332%0.32SS..EExtended strand (participates in β ladder)trans-123.6126.7170.6-64.1177.4-4.200107.7V536 V537Q525-V536 WeakPolarHBondContact O-CA 3.15Å; Q525-V537 HydrophobicContact CB-CB 4.38Å; Q525-V537 PolarHBondContact N-O 3.06Å; Q525-V537 PolarHBondContact O-N 3.18Å
526I92.1Very high86Confident41 Ų4162.8 Ų62.821%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-116.8134.1-178-50.6176.6000108.5V524 W534 R535 V536 C555 E558 L560V524-I526 HydrophobicContact CG1-CD1 4.32Å; V524-I526 HydrophobicContact CG1-CG1 3.85Å; I526-W534 HydrophobicContact CG2-CE3 3.84Å; I526-W534 HydrophobicContact CG2-CZ3 4.16Å; I526-R535 WeakPolarHBondContact CA-O 3.32Å; I526-V536 HydrophobicContact CG1-CG2 4.47Å; I526-V536 HydrophobicContact CG2-CG2 4.4Å; I526-C555 HydrophobicContact CD1-CB 3.93Å; I526-E558 HydrophobicContact CD1-CB 3.69Å; I526-L560 HydrophobicContact CD1-CB 4.09Å; I526-L560 HydrophobicContact CG2-CB 4.44Å; I526-L560 HydrophobicContact CG2-CD2 4Å
527E92.1Very high87.9Confident92 Ų9262 Ų6243%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-141131.5177.8-176.4-176.1167.600109.4L529 R535E527-L529 HydrophobicContact CG-CD2 4.4Å; E527-R535 HydrophobicContact CB-CB 4.32Å; E527-R535 PolarHBondContact N-O 3.06Å; E527-R535 PolarHBondContact O-N 2.98Å; E527-R535 IonicContact OE1-CZ 2.84Å; E527-R535 IonicContact OE1-NH2 3.77Å; E527-R535 PolarHBondContact OE1-NH2 3.32Å; E527-R535 IonicContact OE2-CZ 3.57Å; E527-R535 IonicContact OE2-NE 3.74Å; E527-R535 PolarHBondContact OE2-NE 3.18Å; E527-R535 IonicContact OE2-NH2 3.09Å; E527-R535 PolarHBondContact OE2-NH2 3.33Å
528Q92.5Very high89Confident104 Ų10457.1 Ų57.149%0.48628%0.282SS..EExtended strand (participates in β ladder)trans-88.4115.5175.6-169.6171.711.300109.2S530 W534Q528-S530 WeakPolarHBondContact CG-O 3.37Å; Q528-S530 PolarHBondContact NE2-O 3.2Å; Q528-W534 HydrophobicContact CB-CD2 4.28Å; Q528-W534 HydrophobicContact CB-CE3 3.89Å; Q528-W534 HydrophobicContact CB-CH2 4.04Å; Q528-W534 HydrophobicContact CB-CZ2 4.4Å; Q528-W534 HydrophobicContact CB-CZ3 3.76Å; Q528-W534 HydrophobicContact CG-CD2 4.09Å; Q528-W534 HydrophobicContact CG-CE3 4.19Å; Q528-W534 HydrophobicContact CG-CH2 4.01Å; Q528-W534 HydrophobicContact CG-CZ2 3.89Å; Q528-W534 HydrophobicContact CG-CZ3 4.16Å
529L90.6Very high89.5Confident43 Ų4356.7 Ų56.723%0.22528%0.28CS..  trans-86.2-30.7-179.3-61.7179.4000112.1L458 I462 L507 E527 F533 R535L458-L529 HydrophobicContact CD2-CD1 4.43Å; I462-L529 HydrophobicContact CD1-CB 4.06Å; I462-L529 HydrophobicContact CD1-CD1 3.53Å; I462-L529 HydrophobicContact CD1-CG 4.45Å; L507-L529 HydrophobicContact CD1-CD1 3.96Å; E527-L529 HydrophobicContact CG-CD2 4.4Å; L529-F533 HydrophobicContact CB-CB 4.2Å; L529-F533 PolarHBondContact N-O 2.96Å; L529-R535 HydrophobicContact CD1-CB 3.92Å; L529-R535 HydrophobicContact CD2-CB 4.3Å; L529-R535 HydrophobicContact CG-CB 3.95Å
530S91Very high89.4Confident16 Ų1650.3 Ų50.311%0.11225%0.25CS..SBendtrans-157.2176.3176.278.20000109.8E466 Q528 T532 F533E466-S530 WeakPolarHBondContact OE1-CB 3.47Å; E466-S530 PolarHBondContact OE1-OG 2.59Å; Q528-S530 WeakPolarHBondContact CG-O 3.37Å; Q528-S530 PolarHBondContact NE2-O 3.2Å; S530-T532 PolarHBondContact O-N 3.41Å; S530-T532 VanDerWaalsContact O-N 3.14Å; S530-T532 PolarHBondContact OG-N 2.89Å; S530-F533 PolarHBondContact N-O 3.43Å; S530-F533 VanDerWaalsContact N-O 3.15Å; S530-F533 PolarHBondContact O-N 3.05Å; S530-F533 WeakPolarHBondContact OG-CB 3.43Å; S530-F533 PolarHBondContact OG-N 3.33Å
531P89.4Confident88.9Confident106 Ų10645.7 Ų45.769%0.68823%0.225SC*.SBendtrans-53.5-33.9174.6-2837.1000113.6
532T91.8Very high87.9Confident27 Ų2741.6 Ų41.617%0.16620%0.198CC..SBendtrans-104.5-21.2-178.675.50000114.8E466 R472 E503 V505 S530E466-T532 WeakPolarHBondContact OE1-CB 3.42Å; E466-T532 PolarHBondContact OE1-N 2.92Å; E466-T532 PolarHBondContact OE1-OG1 3.35Å; R472-T532 PolarHBondContact NH1-OG1 2.92Å; R472-T532 PolarHBondContact NH2-OG1 3.32Å; E503-T532 WeakPolarHBondContact O-CB 3.35Å; V505-T532 PolarHBondContact N-O 3.27Å; S530-T532 PolarHBondContact O-N 3.41Å; S530-T532 VanDerWaalsContact O-N 3.14Å; S530-T532 PolarHBondContact OG-N 2.89Å
533F93.5Very high86.8Confident0 Ų035.4 Ų35.40%017%0.174CC..EExtended strand (participates in β ladder)trans-103.7131.3-177.3-77-98.6000113.2I462 L465 L491 L501 V505 L507 L529 S530I462-F533 HydrophobicContact CD1-CB 4.18Å; I462-F533 HydrophobicContact CD1-CD1 4.08Å; I462-F533 HydrophobicContact CD1-CG 4.14Å; I462-F533 HydrophobicContact CG1-CB 4.49Å; I462-F533 HydrophobicContact CG1-CD1 3.96Å; I462-F533 HydrophobicContact CG1-CD2 4.28Å; I462-F533 HydrophobicContact CG1-CE1 4.22Å; I462-F533 HydrophobicContact CG1-CG 4Å; I462-F533 HydrophobicContact CG1-CZ 4.5Å; I462-F533 HydrophobicContact CG2-CB 4.2Å; I462-F533 HydrophobicContact CG2-CD2 3.89Å; I462-F533 HydrophobicContact CG2-CG 4.09Å; L465-F533 HydrophobicContact CB-CE2 4.48Å; L465-F533 HydrophobicContact CD1-CE2 4.33Å; L465-F533 HydrophobicContact CD1-CZ 3.86Å; L491-F533 HydrophobicContact CD2-CE1 4.05Å; L501-F533 HydrophobicContact CD1-CZ 4.23Å; V505-F533 HydrophobicContact CB-CD1 3.84Å; V505-F533 HydrophobicContact CB-CE1 3.82Å; V505-F533 HydrophobicContact CB-CG 4.29Å; V505-F533 HydrophobicContact CB-CZ 4.25Å; V505-F533 HydrophobicContact CG1-CD1 3.66Å; V505-F533 HydrophobicContact CG1-CE1 3.43Å; V505-F533 VanDerWaalsContact CG1-CE1 3.43Å; V505-F533 HydrophobicContact CG1-CZ 4.18Å; V505-F533 HydrophobicContact CG2-CE1 4.36Å; V505-F533 HydrophobicContact CG2-CZ 4.33Å; V505-F533 CarbonylContact O-C 3.45Å; V505-F533 WeakPolarHBondContact O-CA 3.39Å; L507-F533 HydrophobicContact CD1-CD1 4.48Å; L507-F533 HydrophobicContact CG-CD1 4.49Å; L529-F533 HydrophobicContact CB-CB 4.2Å; L529-F533 PolarHBondContact N-O 2.96Å; S530-F533 PolarHBondContact N-O 3.43Å; S530-F533 VanDerWaalsContact N-O 3.15Å; S530-F533 PolarHBondContact O-N 3.05Å; S530-F533 WeakPolarHBondContact OG-CB 3.43Å; S530-F533 PolarHBondContact OG-N 3.33Å
534W93.8Very high85.9Confident51 Ų5135.8 Ų35.819%0.19318%0.177CC..EExtended strand (participates in β ladder)trans-122.3144.6176-64.777.7000110V505 I506 L507 I526 Q528 L560V505-W534 PolarHBondContact O-N 2.94Å; I506-W534 CarbonylContact C-O 3.3Å; I506-W534 WeakPolarHBondContact CA-O 3.42Å; I506-W534 HydrophobicContact CG1-CB 4.18Å; L507-W534 PolarHBondContact N-O 3.31Å; I526-W534 HydrophobicContact CG2-CE3 3.84Å; I526-W534 HydrophobicContact CG2-CZ3 4.16Å; Q528-W534 HydrophobicContact CB-CD2 4.28Å; Q528-W534 HydrophobicContact CB-CE3 3.89Å; Q528-W534 HydrophobicContact CB-CH2 4.04Å; Q528-W534 HydrophobicContact CB-CZ2 4.4Å; Q528-W534 HydrophobicContact CB-CZ3 3.76Å; Q528-W534 HydrophobicContact CG-CD2 4.09Å; Q528-W534 HydrophobicContact CG-CE3 4.19Å; Q528-W534 HydrophobicContact CG-CH2 4.01Å; Q528-W534 HydrophobicContact CG-CZ2 3.89Å; Q528-W534 HydrophobicContact CG-CZ3 4.16Å; W534-L560 HydrophobicContact CD2-CD1 3.72Å; W534-L560 HydrophobicContact CE3-CD1 3.91Å; W534-L560 HydrophobicContact CE3-CD2 4.36Å; W534-L560 HydrophobicContact CG-CD1 4.1Å; W534-L560 HydrophobicContact CZ2-CD1 4.36Å; W534-L560 HydrophobicContact CZ3-CD1 4.29Å
535R93.6Very high84.9Confident22 Ų2238.8 Ų38.88%0.08320%0.196CC..EExtended strand (participates in β ladder)trans-111.8127.4172.4171.9158.868.6-164.9-1108.5I484 N485 I526 E527 L529 V537I484-R535 PolarHBondContact O-NH1 3.26Å; N485-R535 PolarHBondContact OD1-NH1 2.99Å; I526-R535 WeakPolarHBondContact CA-O 3.32Å; E527-R535 HydrophobicContact CB-CB 4.32Å; E527-R535 PolarHBondContact N-O 3.06Å; E527-R535 PolarHBondContact O-N 2.98Å; E527-R535 IonicContact OE1-CZ 2.84Å; E527-R535 IonicContact OE1-NH2 3.77Å; E527-R535 PolarHBondContact OE1-NH2 3.32Å; E527-R535 IonicContact OE2-CZ 3.57Å; E527-R535 IonicContact OE2-NE 3.74Å; E527-R535 PolarHBondContact OE2-NE 3.18Å; E527-R535 IonicContact OE2-NH2 3.09Å; E527-R535 PolarHBondContact OE2-NH2 3.33Å; L529-R535 HydrophobicContact CD1-CB 3.92Å; L529-R535 HydrophobicContact CD2-CB 4.3Å; L529-R535 HydrophobicContact CG-CB 3.95Å; R535-V537 HydrophobicContact CG-CG2 4.29Å
536V93.4Very high84.3Confident2 Ų234.2 Ų34.21%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-124.5122.6175.6178.90000108.1I506 L507 L508 T509 V524 Q525 I526 V551 L560I506-V536 HydrophobicContact CG2-CB 4.14Å; I506-V536 HydrophobicContact CG2-CG2 3.69Å; L507-V536 PolarHBondContact O-N 3.15Å; L508-V536 CarbonylContact C-O 3.57Å; L508-V536 WeakPolarHBondContact CA-O 3.2Å; L508-V536 HydrophobicContact CD1-CB 3.93Å; L508-V536 HydrophobicContact CD1-CG1 3.64Å; T509-V536 PolarHBondContact N-O 3.31Å; V524-V536 HydrophobicContact CG1-CG1 3.91Å; Q525-V536 WeakPolarHBondContact O-CA 3.15Å; I526-V536 HydrophobicContact CG1-CG2 4.47Å; I526-V536 HydrophobicContact CG2-CG2 4.4Å; V536-V551 HydrophobicContact CG1-CG1 4.12Å; V536-L560 HydrophobicContact CG2-CD2 3.76Å
537V92.7Very high83.9Confident6 Ų634 Ų344%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-113.1115173.9-176.30000107.4I484 T509 R511 V524 Q525 R535I484-V537 HydrophobicContact CD1-CG1 4.38Å; I484-V537 HydrophobicContact CD1-CG2 3.64Å; I484-V537 HydrophobicContact CG1-CG2 3.74Å; T509-V537 WeakPolarHBondContact O-CA 3.36Å; R511-V537 HydrophobicContact CG-CG1 4.13Å; V524-V537 CarbonylContact C-O 3.58Å; V524-V537 WeakPolarHBondContact CA-O 3.38Å; Q525-V537 HydrophobicContact CB-CB 4.38Å; Q525-V537 PolarHBondContact N-O 3.06Å; Q525-V537 PolarHBondContact O-N 3.18Å; R535-V537 HydrophobicContact CG-CG2 4.29Å
538A91.6Very high83.5Confident0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-104.3117.8173.800000110.1T509 L510 R511 R523 V524 Y540 V551T509-A538 PolarHBondContact O-N 2.83Å; L510-A538 WeakPolarHBondContact CA-O 3.33Å; L510-A538 HydrophobicContact CD2-CB 3.62Å; R511-A538 PolarHBondContact N-O 3.09Å; R523-A538 CarbonylContact O-C 3.58Å; R523-A538 WeakPolarHBondContact O-CA 3.11Å; V524-A538 HydrophobicContact CG2-CB 4.38Å; A538-Y540 HydrophobicContact CB-CD2 4.27Å; A538-Y540 HydrophobicContact CB-CE2 3.77Å; A538-V551 HydrophobicContact CB-CG1 4.01Å; A538-V551 HydrophobicContact CB-CG2 3.66Å
539S89.1Confident83.1Confident6 Ų629.8 Ų29.84%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-101.9115.7-179.7-79.20000109.7R511 E513 V518 R523R511-S539 WeakPolarHBondContact O-CA 3.22Å; E513-S539 WeakPolarHBondContact OE1-CB 3.35Å; E513-S539 PolarHBondContact OE1-OG 3.47Å; V518-S539 WeakPolarHBondContact CB-O 3.24Å; V518-S539 WeakPolarHBondContact CG1-O 3.32Å; R523-S539 WeakPolarHBondContact CG-O 3.18Å; R523-S539 PolarHBondContact O-N 3.26Å
540Y81Confident82.8Confident1 Ų130.3 Ų30.30%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-111.2140.1177.3-76.4-93.8000110.2R511 T512 E513 R523 A538 E544 P546 N547 E550 V551R511-Y540 PolarHBondContact O-N 2.87Å; T512-Y540 CarbonylContact C-O 3.51Å; T512-Y540 VanDerWaalsContact CA-O 3.29Å; T512-Y540 WeakPolarHBondContact CA-O 3.32Å; E513-Y540 PolarHBondContact N-O 3.49Å; R523-Y540 HydrophobicContact CG-CE1 4.4Å; R523-Y540 HydrophobicContact CG-CE2 4.49Å; A538-Y540 HydrophobicContact CB-CD2 4.27Å; A538-Y540 HydrophobicContact CB-CE2 3.77Å; Y540-E544 HydrophobicContact CD1-CB 3.77Å; Y540-P546 HydrophobicContact CD1-CB 4.43Å; Y540-P546 HydrophobicContact CD2-CB 3.75Å; Y540-P546 HydrophobicContact CD2-CG 4.05Å; Y540-P546 HydrophobicContact CE2-CB 3.87Å; Y540-P546 HydrophobicContact CG-CB 4.05Å; Y540-P546 HydrophobicContact CG-CG 4Å; Y540-N547 PolarHBondContact OH-O 3.14Å; Y540-E550 WeakPolarHBondContact CE1-OE2 3.23Å; Y540-E550 PolarHBondContact OH-OE2 3.02Å; Y540-E550 VanDerWaalsContact OH-OE2 3.11Å; Y540-V551 HydrophobicContact CE2-CG2 3.81Å; Y540-V551 WeakPolarHBondContact OH-CG2 3.37Å
541G69.1Low82.7Confident0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-69.3156.8168.200000109.6A515 P516 V518 R543 E544A515-G541 CarbonylContact O-C 3.47Å; A515-G541 WeakPolarHBondContact O-CA 3.45Å; P516-G541 CarbonylContact O-C 3.52Å; P516-G541 VanDerWaalsContact O-C 3.3Å; P516-G541 WeakPolarHBondContact O-CA 3.34Å; V518-G541 VanDerWaalsContact CG2-N 3.27Å; G541-R543 PolarHBondContact O-N 3.44Å; G541-E544 WeakPolarHBondContact CA-OE2 3.34Å; G541-E544 PolarHBondContact N-OE2 3.2Å; G541-E544 WeakPolarHBondContact O-CB 3.23Å; G541-E544 PolarHBondContact O-N 3.25Å
542W60Low82.6Confident26 Ų2625 Ų2510%0.09812%0.12CC..THydrogen-bonded Turntrans-64.9-22.9-176.954.6-104.2000112.8E80 R317 T512 A515 P516 E544E80-W542 VanDerWaalsContact CD-CH2 3.45Å; E80-W542 HydrophobicContact CG-CH2 3.1Å; E80-W542 HydrophobicContact CG-CZ2 3.47Å; E80-W542 VanDerWaalsContact CG-CZ2 3.47Å; E80-W542 HydrophobicContact CG-CZ3 3.94Å; E80-W542 WeakPolarHBondContact OE1-CH2 3.4Å; E80-W542 WeakPolarHBondContact OE1-CZ3 3.13Å; R317-W542 PolarHBondContact NH1-O 3.27Å; R317-W542 PolarHBondContact NH2-O 2.95Å; T512-W542 HydrophobicContact CG2-CB 4.07Å; A515-W542 VanDerWaalsContact C-NE1 3.26Å; A515-W542 PolarHBondContact O-N 2.88Å; P516-W542 VanDerWaalsContact CA-CE2 3.42Å; P516-W542 HydrophobicContact CB-CD2 4.29Å; P516-W542 HydrophobicContact CB-CH2 3.88Å; P516-W542 HydrophobicContact CB-CZ2 3.5Å; P516-W542 HydrophobicContact CB-CZ3 4.45Å; P516-W542 HydrophobicContact CG-CZ2 4.21Å; P516-W542 PolarHBondContact O-N 2.82Å; W542-E544 PolarHBondContact O-N 3.13Å
543R56.7Low82.4Confident59 Ų5929.9 Ų29.922%0.22314%0.141CC..THydrogen-bonded Turntrans-76.7-6.3172.8-66.8-167170.3-173.4-7113.4E80 G236 S334 P516 Y517 G541E80-R543 IonicContact OE1-CZ 2.84Å; E80-R543 IonicContact OE1-NE 2.76Å; E80-R543 IonicContact OE1-NH2 3.33Å; E80-R543 PolarHBondContact OE1-NH2 3.3Å; G236-R543 PolarHBondContact O-NH2 3.11Å; S334-R543 PolarHBondContact OG-NE 2.92Å; S334-R543 VanDerWaalsContact OG-NE 3.16Å; S334-R543 PolarHBondContact OG-NH1 2.96Å; S334-R543 PolarHBondContact OG-NH2 2.62Å; P516-R543 HydrophobicContact CB-CB 4.48Å; P516-R543 HydrophobicContact CB-CG 3.84Å; P516-R543 WeakPolarHBondContact O-CA 3.35Å; P516-R543 VanDerWaalsContact O-CB 3.23Å; P516-R543 WeakPolarHBondContact O-CB 3.2Å; P516-R543 PolarHBondContact O-N 3.41Å; Y517-R543 HydrophobicContact CD1-CB 4.35Å; Y517-R543 HydrophobicContact CE1-CB 3.8Å; Y517-R543 HydrophobicContact CE2-CB 4.37Å; Y517-R543 HydrophobicContact CE2-CG 4.47Å; Y517-R543 WeakPolarHBondContact OH-CD 3.48Å; G541-R543 PolarHBondContact O-N 3.44Å
544E67.9Low82.1Confident29 Ų2931.6 Ų31.614%0.13615%0.148CC..SBendtrans-103.6131.8-172.9-52.7177.4129.800109.4Y517 V518 R523 Y540 G541 W542 P546Y517-E544 HydrophobicContact CD1-CG 3.72Å; Y517-E544 HydrophobicContact CE1-CG 4.36Å; V518-E544 PolarHBondContact N-OE2 3.46Å; R523-E544 IonicContact CZ-OE1 2.89Å; R523-E544 IonicContact NH2-OE1 3.97Å; R523-E544 PolarHBondContact NH2-OE1 3.46Å; R523-E544 IonicContact NH2-OE2 3.11Å; Y540-E544 HydrophobicContact CD1-CB 3.77Å; G541-E544 WeakPolarHBondContact CA-OE2 3.34Å; G541-E544 PolarHBondContact N-OE2 3.2Å; G541-E544 WeakPolarHBondContact O-CB 3.23Å; G541-E544 PolarHBondContact O-N 3.25Å; W542-E544 PolarHBondContact O-N 3.13Å; E544-P546 WeakPolarHBondContact O-CD 3.48Å
545T70Confident81.8Confident70 Ų7029.2 Ų29.243%0.42914%0.139SC..PPolyproline II helixtrans-82.3121.2169.4-52.90000107.9N547T545-N547 PolarHBondContact O-N 3.34Å
546P78.3Confident81.5Confident17 Ų1729.9 Ų29.911%0.1115%0.152CC..PPolyproline II helixtrans-64.1123.9174.5-17.830.7000110L510 Y540 E544 F606L510-P546 HydrophobicContact CD1-CB 4.28Å; Y540-P546 HydrophobicContact CD1-CB 4.43Å; Y540-P546 HydrophobicContact CD2-CB 3.75Å; Y540-P546 HydrophobicContact CD2-CG 4.05Å; Y540-P546 HydrophobicContact CE2-CB 3.87Å; Y540-P546 HydrophobicContact CG-CB 4.05Å; Y540-P546 HydrophobicContact CG-CG 4Å; E544-P546 WeakPolarHBondContact O-CD 3.48Å; P546-F606 HydrophobicContact CB-CD1 4.07Å; P546-F606 HydrophobicContact CG-CD1 4.3Å; P546-F606 HydrophobicContact CG-CE1 4.46Å
547N82.8Confident81.1Confident38 Ų3836.1 Ų36.120%0.20319%0.185CC..  trans-121.1121.3175.7176.4-54.4000108.5Y540 T545 E549 E550 V551 E607Y540-N547 PolarHBondContact OH-O 3.14Å; T545-N547 PolarHBondContact O-N 3.34Å; N547-E549 VanDerWaalsContact C-N 3.34Å; N547-E549 PolarHBondContact O-N 3.47Å; N547-E549 WeakPolarHBondContact OD1-CA 3.48Å; N547-E549 VanDerWaalsContact OD1-CB 3.29Å; N547-E549 WeakPolarHBondContact OD1-CB 3.33Å; N547-E549 PolarHBondContact OD1-N 3.41Å; N547-E550 HydrophobicContact CB-CB 4.15Å; N547-E550 WeakPolarHBondContact O-CB 3.49Å; N547-E550 PolarHBondContact O-N 3.32Å; N547-E550 PolarHBondContact OD1-N 3.09Å; N547-V551 WeakPolarHBondContact O-CG2 3.07Å; N547-V551 PolarHBondContact O-N 3.28Å; N547-E607 PolarHBondContact ND2-OE2 3.09Å
548V84.4Confident80.6Confident0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-69.1-30.9-174.1171.90000113.1L508 E550 V551 F552 M564 F569 F606 I608L508-V548 HydrophobicContact CD2-CG2 4.5Å; V548-E550 VanDerWaalsContact C-N 3.29Å; V548-E550 PolarHBondContact O-N 3.15Å; V548-V551 WeakPolarHBondContact O-CB 3.21Å; V548-V551 PolarHBondContact O-N 2.86Å; V548-F552 HydrophobicContact CG1-CD1 4.42Å; V548-F552 HydrophobicContact CG1-CE1 4.11Å; V548-F552 HydrophobicContact CG1-CE2 4.35Å; V548-F552 HydrophobicContact CG1-CZ 4.04Å; V548-F552 PolarHBondContact O-N 2.62Å; V548-M564 HydrophobicContact CG1-CE 4.32Å; V548-F569 HydrophobicContact CG1-CE1 3.42Å; V548-F569 VanDerWaalsContact CG1-CE1 3.42Å; V548-F569 HydrophobicContact CG1-CE2 4.46Å; V548-F569 HydrophobicContact CG1-CZ 3.32Å; V548-F606 HydrophobicContact CG2-CB 4.12Å; V548-I608 HydrophobicContact CB-CG1 4.31Å; V548-I608 HydrophobicContact CG2-CD1 4.2Å; V548-I608 HydrophobicContact CG2-CG1 3.78Å
549E83.9Confident80.1Confident106 Ų10644.4 Ų44.450%0.49524%0.241SC..Hα-helixtrans-63.7-40.2173.5-57.6-172.7159.500110.7N547 F552 H553 M564N547-E549 VanDerWaalsContact C-N 3.34Å; N547-E549 PolarHBondContact O-N 3.47Å; N547-E549 WeakPolarHBondContact OD1-CA 3.48Å; N547-E549 VanDerWaalsContact OD1-CB 3.29Å; N547-E549 WeakPolarHBondContact OD1-CB 3.33Å; N547-E549 PolarHBondContact OD1-N 3.41Å; E549-F552 PolarHBondContact O-N 3.11Å; E549-H553 WeakPolarHBondContact O-CB 3.45Å; E549-H553 PolarHBondContact O-N 2.86Å; E549-M564 HydrophobicContact CG-CE 4.42Å
550E85.2Confident80Confident54 Ų5444.3 Ų44.325%0.25224%0.24SC..Hα-helixtrans-63.6-43173.8-162-156.3175.900111.8R523 Y540 N547 V548 F552 H553 R554R523-E550 IonicContact CZ-OE1 3.55Å; R523-E550 IonicContact NH1-OE1 3.83Å; R523-E550 PolarHBondContact NH1-OE1 3.49Å; R523-E550 IonicContact NH1-OE2 3.85Å; R523-E550 PolarHBondContact NH1-OE2 3.36Å; Y540-E550 WeakPolarHBondContact CE1-OE2 3.23Å; Y540-E550 PolarHBondContact OH-OE2 3.02Å; Y540-E550 VanDerWaalsContact OH-OE2 3.11Å; N547-E550 HydrophobicContact CB-CB 4.15Å; N547-E550 WeakPolarHBondContact O-CB 3.49Å; N547-E550 PolarHBondContact O-N 3.32Å; N547-E550 PolarHBondContact OD1-N 3.09Å; V548-E550 VanDerWaalsContact C-N 3.29Å; V548-E550 PolarHBondContact O-N 3.15Å; E550-F552 VanDerWaalsContact C-N 3.32Å; E550-F552 PolarHBondContact O-N 3.41Å; E550-H553 PolarHBondContact O-N 2.75Å; E550-R554 WeakPolarHBondContact O-CG 3.46Å; E550-R554 PolarHBondContact O-N 2.91Å; E550-R554 IonicContact OE1-CZ 2.8Å; E550-R554 IonicContact OE1-NE 3.24Å; E550-R554 PolarHBondContact OE1-NE 2.92Å; E550-R554 IonicContact OE1-NH2 3.11Å; E550-R554 PolarHBondContact OE1-NH2 3.19Å
551V87.9Confident80.1Confident0 Ų048.1 Ų48.10%027%0.267CS..Hα-helixtrans-57.5-47.6175176.60000110.1L508 L510 V524 V536 A538 Y540 N547 V548 R554 C555L508-V551 HydrophobicContact CD1-CG1 4.13Å; L510-V551 HydrophobicContact CD2-CG2 4.37Å; V524-V551 HydrophobicContact CG2-CG1 4.32Å; V536-V551 HydrophobicContact CG1-CG1 4.12Å; A538-V551 HydrophobicContact CB-CG1 4.01Å; A538-V551 HydrophobicContact CB-CG2 3.66Å; Y540-V551 HydrophobicContact CE2-CG2 3.81Å; Y540-V551 WeakPolarHBondContact OH-CG2 3.37Å; N547-V551 WeakPolarHBondContact O-CG2 3.07Å; N547-V551 PolarHBondContact O-N 3.28Å; V548-V551 WeakPolarHBondContact O-CB 3.21Å; V548-V551 PolarHBondContact O-N 2.86Å; V551-R554 PolarHBondContact O-N 2.9Å; V551-C555 PolarHBondContact O-N 2.98Å; V551-C555 PolarHBondContact O-SG 3.14Å
552F88.4Confident80.7Confident10 Ų1049 Ų494%0.04427%0.273CS..Hα-helixtrans-69.1-37-178.9-76.76.3000113.4V478 V548 E549 E550 R554 C555 G556 C562 M564 T567 F569V478-F552 HydrophobicContact CB-CZ 4.5Å; V478-F552 HydrophobicContact CG2-CE1 4.28Å; V478-F552 HydrophobicContact CG2-CZ 3.62Å; V548-F552 HydrophobicContact CG1-CD1 4.42Å; V548-F552 HydrophobicContact CG1-CE1 4.11Å; V548-F552 HydrophobicContact CG1-CE2 4.35Å; V548-F552 HydrophobicContact CG1-CZ 4.04Å; V548-F552 PolarHBondContact O-N 2.62Å; E549-F552 PolarHBondContact O-N 3.11Å; E550-F552 VanDerWaalsContact C-N 3.32Å; E550-F552 PolarHBondContact O-N 3.41Å; F552-R554 VanDerWaalsContact C-N 3.29Å; F552-R554 PolarHBondContact O-N 2.82Å; F552-C555 PolarHBondContact O-N 2.97Å; F552-G556 PolarHBondContact O-N 3.03Å; F552-C562 HydrophobicContact CB-CB 4.19Å; F552-C562 HydrophobicContact CD1-CB 4.27Å; F552-C562 HydrophobicContact CD2-CB 3.66Å; F552-C562 HydrophobicContact CE2-CB 4.07Å; F552-C562 HydrophobicContact CG-CB 3.78Å; F552-M564 HydrophobicContact CD2-SD 3.91Å; F552-M564 HydrophobicContact CE2-SD 3.89Å; F552-T567 HydrophobicContact CE2-CG2 3.79Å; F552-T567 HydrophobicContact CZ-CG2 4.04Å; F552-F569 HydrophobicContact CD2-CZ 4.44Å; F552-F569 HydrophobicContact CE1-CE1 4.38Å; F552-F569 HydrophobicContact CE1-CZ 4.32Å; F552-F569 HydrophobicContact CE2-CE1 4.14Å; F552-F569 HydrophobicContact CE2-CE2 4.1Å; F552-F569 AromaticContact CE2-CZ 3.35Å; F552-F569 HydrophobicContact CE2-CZ 3.35Å; F552-F569 AromaticContact CZ-CE1 3.55Å; F552-F569 HydrophobicContact CZ-CE1 3.55Å; F552-F569 HydrophobicContact CZ-CE2 4.32Å; F552-F569 AromaticContact CZ-CZ 3.25Å; F552-F569 HydrophobicContact CZ-CZ 3.25Å
553H87Confident81.8Confident131 Ų13155.8 Ų55.861%0.60630%0.298SS*.Hα-helixtrans-57.8-45.9171.9177.7-90.5000110.6E549 E550 G556 L557E549-H553 WeakPolarHBondContact O-CB 3.45Å; E549-H553 PolarHBondContact O-N 2.86Å; E550-H553 PolarHBondContact O-N 2.75Å; H553-G556 PolarHBondContact O-N 3.42Å; H553-L557 PolarHBondContact O-N 2.98Å
554R86.4Confident83Confident36 Ų3654.5 Ų54.514%0.13630%0.295CS..Hα-helixtrans-66.6-40.3176.2-70175.4-177.5-119.8-0.2112.6N520 V524 E550 V551 F552 G556 L557 E558N520-R554 VanDerWaalsContact CA-NH1 3.31Å; N520-R554 PolarHBondContact O-NH1 3.29Å; N520-R554 VanDerWaalsContact O-NH1 3.08Å; N520-R554 PolarHBondContact OD1-NH1 3.16Å; N520-R554 VanDerWaalsContact OD1-NH1 3.1Å; N520-R554 PolarHBondContact OD1-NH2 3.03Å; V524-R554 HydrophobicContact CB-CB 4.49Å; V524-R554 HydrophobicContact CG2-CB 3.86Å; E550-R554 WeakPolarHBondContact O-CG 3.46Å; E550-R554 PolarHBondContact O-N 2.91Å; E550-R554 IonicContact OE1-CZ 2.8Å; E550-R554 IonicContact OE1-NE 3.24Å; E550-R554 PolarHBondContact OE1-NE 2.92Å; E550-R554 IonicContact OE1-NH2 3.11Å; E550-R554 PolarHBondContact OE1-NH2 3.19Å; V551-R554 PolarHBondContact O-N 2.9Å; F552-R554 VanDerWaalsContact C-N 3.29Å; F552-R554 PolarHBondContact O-N 2.82Å; R554-G556 PolarHBondContact O-N 3.3Å; R554-L557 WeakPolarHBondContact O-CB 3.48Å; R554-L557 PolarHBondContact O-N 3.41Å; R554-L557 VanDerWaalsContact O-N 3.13Å; R554-E558 PolarHBondContact O-N 3.46Å
555C88.7Confident83.6Confident1 Ų160 Ų601%0.00732%0.322CS..Hα-helixtrans-58.1-39.3172.6-70.80000112.2I526 V551 F552 L557 E558 G559 L560I526-C555 HydrophobicContact CD1-CB 3.93Å; V551-C555 PolarHBondContact O-N 2.98Å; V551-C555 PolarHBondContact O-SG 3.14Å; F552-C555 PolarHBondContact O-N 2.97Å; C555-L557 VanDerWaalsContact C-N 3.31Å; C555-L557 PolarHBondContact O-N 2.98Å; C555-E558 CarbonylContact O-C 3.58Å; C555-E558 PolarHBondContact O-N 3.43Å; C555-E558 VanDerWaalsContact O-N 3.16Å; C555-G559 PolarHBondContact O-N 3.02Å; C555-L560 CarbonylContact C-O 3.54Å; C555-L560 VanDerWaalsContact C-O 3.24Å; C555-L560 HydrophobicContact CB-CB 4.21Å; C555-L560 HydrophobicContact CB-CD2 4.43Å; C555-L560 CarbonylContact O-C 3.37Å; C555-L560 PolarHBondContact O-N 3.49Å
556G87.1Confident84.2Confident35 Ų3561.6 Ų61.636%0.36133%0.325SS..Hα-helixtrans-61.1-37175.800000113.2F552 H553 R554 E558 G559 L560F552-G556 PolarHBondContact O-N 3.03Å; H553-G556 PolarHBondContact O-N 3.42Å; R554-G556 PolarHBondContact O-N 3.3Å; G556-E558 VanDerWaalsContact C-N 3.28Å; G556-E558 PolarHBondContact O-N 2.94Å; G556-G559 PolarHBondContact O-N 3.29Å; G556-L560 PolarHBondContact N-O 2.87Å
557L84.8Confident84.7Confident133 Ų13360.8 Ų60.870%0.69632%0.32SS*.Hα-helixtrans-67.7-27.3176-63.1174.4000113H553 R554 C555H553-L557 PolarHBondContact O-N 2.98Å; R554-L557 WeakPolarHBondContact O-CB 3.48Å; R554-L557 PolarHBondContact O-N 3.41Å; R554-L557 VanDerWaalsContact O-N 3.13Å; C555-L557 VanDerWaalsContact C-N 3.31Å; C555-L557 PolarHBondContact O-N 2.98Å
558E82.6Confident85.1Confident114 Ų11460.2 Ų60.253%0.53332%0.319SS..THydrogen-bonded Turntrans-95.911.9177.3-66.9-172.7-179.100113.2I526 R554 C555 G556I526-E558 HydrophobicContact CD1-CB 3.69Å; R554-E558 PolarHBondContact O-N 3.46Å; C555-E558 CarbonylContact O-C 3.58Å; C555-E558 PolarHBondContact O-N 3.43Å; C555-E558 VanDerWaalsContact O-N 3.16Å; G556-E558 VanDerWaalsContact C-N 3.28Å; G556-E558 PolarHBondContact O-N 2.94Å
559G81.3Confident85.4Confident66 Ų6660.2 Ų60.268%0.6832%0.319SS*.THydrogen-bonded Turntrans96-0.1172.900000115.9C555 G556C555-G559 PolarHBondContact O-N 3.02Å; G556-G559 PolarHBondContact O-N 3.29Å
560L86.3Confident85.7Confident5 Ų555.5 Ų55.53%0.02630%0.297CS..  trans-101.783.2174.1-174.967.6000110.5I506 I526 W534 V536 C555 G556 C562I506-L560 HydrophobicContact CD1-CD2 4.11Å; I526-L560 HydrophobicContact CD1-CB 4.09Å; I526-L560 HydrophobicContact CG2-CB 4.44Å; I526-L560 HydrophobicContact CG2-CD2 4Å; W534-L560 HydrophobicContact CD2-CD1 3.72Å; W534-L560 HydrophobicContact CE3-CD1 3.91Å; W534-L560 HydrophobicContact CE3-CD2 4.36Å; W534-L560 HydrophobicContact CG-CD1 4.1Å; W534-L560 HydrophobicContact CZ2-CD1 4.36Å; W534-L560 HydrophobicContact CZ3-CD1 4.29Å; V536-L560 HydrophobicContact CG2-CD2 3.76Å; C555-L560 CarbonylContact C-O 3.54Å; C555-L560 VanDerWaalsContact C-O 3.24Å; C555-L560 HydrophobicContact CB-CB 4.21Å; C555-L560 HydrophobicContact CB-CD2 4.43Å; C555-L560 CarbonylContact O-C 3.37Å; C555-L560 PolarHBondContact O-N 3.49Å; G556-L560 PolarHBondContact N-O 2.87Å; L560-C562 PolarHBondContact O-N 2.95Å
561S84.1Confident85.8Confident81 Ų8153.6 Ų53.657%0.56629%0.288SS*.  trans-70.1115.7178.658.70000111.7R504R504-S561 PolarHBondContact NH1-O 3.44Å
562C81.8Confident85.3Confident18 Ų1855.1 Ų55.112%0.12230%0.299CS..  trans-122.6116.8177.2-620000109.3I506 F552 L560I506-C562 WeakPolarHBondContact CD1-SG 3.32Å; F552-C562 HydrophobicContact CB-CB 4.19Å; F552-C562 HydrophobicContact CD1-CB 4.27Å; F552-C562 HydrophobicContact CD2-CB 3.66Å; F552-C562 HydrophobicContact CE2-CB 4.07Å; F552-C562 HydrophobicContact CG-CB 3.78Å; L560-C562 PolarHBondContact O-N 2.95Å
563R82.4Confident84.7Confident168 Ų16858.4 Ų58.463%0.63431%0.314SS*.  trans-91.5123.8174.8-70.7178178.6171.91.6109.8M565 E566 T567R563-M565 VanDerWaalsContact C-N 3.26Å; R563-M565 PolarHBondContact O-N 3.37Å; R563-E566 HydrophobicContact CB-CB 4.24Å; R563-E566 HydrophobicContact CB-CG 4.32Å; R563-E566 VanDerWaalsContact CD-OE1 3.25Å; R563-E566 WeakPolarHBondContact CD-OE1 3.44Å; R563-E566 IonicContact CZ-OE1 2.86Å; R563-E566 IonicContact NH1-OE1 2.64Å; R563-E566 PolarHBondContact NH1-OE1 2.92Å; R563-E566 PolarHBondContact O-N 3.37Å; R563-T567 WeakPolarHBondContact O-CB 3.19Å; R563-T567 PolarHBondContact O-N 3.47Å; R563-T567 VanDerWaalsContact O-N 3.09Å; R563-T567 PolarHBondContact O-OG1 2.95Å
564M81.6Confident84Confident33 Ų3353 Ų5316%0.16329%0.289CS..THydrogen-bonded Turntrans-56.7-39.5-175.9-159.562177.300113.1V548 E549 F552 E566 T567 F569 I608 P609 R612V548-M564 HydrophobicContact CG1-CE 4.32Å; E549-M564 HydrophobicContact CG-CE 4.42Å; F552-M564 HydrophobicContact CD2-SD 3.91Å; F552-M564 HydrophobicContact CE2-SD 3.89Å; M564-E566 VanDerWaalsContact C-N 3.27Å; M564-E566 PolarHBondContact O-N 3.33Å; M564-T567 PolarHBondContact O-N 3.45Å; M564-F569 HydrophobicContact CE-CD2 4.35Å; M564-F569 HydrophobicContact CE-CE2 3.36Å; M564-F569 HydrophobicContact CE-CZ 3.7Å; M564-F569 HydrophobicContact SD-CE2 3.67Å; M564-F569 HydrophobicContact SD-CZ 3.86Å; M564-I608 HydrophobicContact CE-CG2 4.39Å; M564-P609 HydrophobicContact CE-CG 3.63Å; M564-P609 HydrophobicContact CG-CG 4.49Å; M564-R612 PolarHBondContact O-NE 3.29Å; M564-R612 VanDerWaalsContact O-NE 3.12Å
565M80.5Confident83.5Confident143 Ų14353.4 Ų53.470%0.70430%0.298SS*.THydrogen-bonded Turntrans-72.5-13.7-179.7-66.3-60.5-70.200114.7R563 R612R563-M565 VanDerWaalsContact C-N 3.26Å; R563-M565 PolarHBondContact O-N 3.37Å; M565-R612 VanDerWaalsContact C-CZ 3.44Å; M565-R612 PolarHBondContact O-NH1 2.95Å; M565-R612 PolarHBondContact O-NH2 3.27Å
566E83.3Confident83Confident105 Ų10554.4 Ų54.449%0.49130%0.303SS..THydrogen-bonded Turntrans-109.7-9.4178.4-64.8170.8-160.800112.2R563 M564R563-E566 HydrophobicContact CB-CB 4.24Å; R563-E566 HydrophobicContact CB-CG 4.32Å; R563-E566 VanDerWaalsContact CD-OE1 3.25Å; R563-E566 WeakPolarHBondContact CD-OE1 3.44Å; R563-E566 IonicContact CZ-OE1 2.86Å; R563-E566 IonicContact NH1-OE1 2.64Å; R563-E566 PolarHBondContact NH1-OE1 2.92Å; R563-E566 PolarHBondContact O-N 3.37Å; M564-E566 VanDerWaalsContact C-N 3.27Å; M564-E566 PolarHBondContact O-N 3.33Å
567T88.8Confident82.7Confident0 Ų056.6 Ų56.60%031%0.305CS..EExtended strand (participates in β ladder)trans-98.3128.2-179.6-60.30000113.4T476 V478 F552 R563 M564 F569 R612T476-T567 HydrophobicContact CG2-CG2 4.14Å; T476-T567 CarbonylContact O-C 3.57Å; T476-T567 VanDerWaalsContact O-CA 3.3Å; T476-T567 WeakPolarHBondContact O-CA 3.14Å; V478-T567 HydrophobicContact CB-CG2 4.22Å; V478-T567 HydrophobicContact CG2-CG2 3.42Å; V478-T567 VanDerWaalsContact CG2-CG2 3.42Å; F552-T567 HydrophobicContact CE2-CG2 3.79Å; F552-T567 HydrophobicContact CZ-CG2 4.04Å; R563-T567 WeakPolarHBondContact O-CB 3.19Å; R563-T567 PolarHBondContact O-N 3.47Å; R563-T567 VanDerWaalsContact O-N 3.09Å; R563-T567 PolarHBondContact O-OG1 2.95Å; M564-T567 PolarHBondContact O-N 3.45Å; T567-F569 HydrophobicContact CG2-CE2 4.12Å; T567-F569 HydrophobicContact CG2-CZ 4.28Å; T567-R612 VanDerWaalsContact O-CZ 3.26Å; T567-R612 PolarHBondContact O-NE 3.1Å; T567-R612 PolarHBondContact O-NH2 3.15Å
568S90.8Very high82.6Confident26 Ų2652 Ų5218%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-102.5130.4175.6-63.50000110.4T476 A477 V478T476-S568 PolarHBondContact O-N 3.48Å; A477-S568 WeakPolarHBondContact CA-O 3.22Å; V478-S568 PolarHBondContact N-O 3.39Å
569F90.8Very high82.5Confident0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-95.3118.2179.3-70.1-92.9000110.7V478 V548 F552 M564 T567 I608 R612 V613 I614V478-F569 HydrophobicContact CB-CD1 3.77Å; V478-F569 HydrophobicContact CB-CE1 3.88Å; V478-F569 HydrophobicContact CB-CG 4.47Å; V478-F569 HydrophobicContact CG1-CD1 3.7Å; V478-F569 HydrophobicContact CG1-CE1 3.71Å; V478-F569 HydrophobicContact CG2-CE1 4.28Å; V478-F569 CarbonylContact O-C 3.41Å; V478-F569 WeakPolarHBondContact O-CA 3.41Å; V548-F569 HydrophobicContact CG1-CE1 3.42Å; V548-F569 VanDerWaalsContact CG1-CE1 3.42Å; V548-F569 HydrophobicContact CG1-CE2 4.46Å; V548-F569 HydrophobicContact CG1-CZ 3.32Å; F552-F569 HydrophobicContact CD2-CZ 4.44Å; F552-F569 HydrophobicContact CE1-CE1 4.38Å; F552-F569 HydrophobicContact CE1-CZ 4.32Å; F552-F569 HydrophobicContact CE2-CE1 4.14Å; F552-F569 HydrophobicContact CE2-CE2 4.1Å; F552-F569 AromaticContact CE2-CZ 3.35Å; F552-F569 HydrophobicContact CE2-CZ 3.35Å; F552-F569 AromaticContact CZ-CE1 3.55Å; F552-F569 HydrophobicContact CZ-CE1 3.55Å; F552-F569 HydrophobicContact CZ-CE2 4.32Å; F552-F569 AromaticContact CZ-CZ 3.25Å; F552-F569 HydrophobicContact CZ-CZ 3.25Å; M564-F569 HydrophobicContact CE-CD2 4.35Å; M564-F569 HydrophobicContact CE-CE2 3.36Å; M564-F569 HydrophobicContact CE-CZ 3.7Å; M564-F569 HydrophobicContact SD-CE2 3.67Å; M564-F569 HydrophobicContact SD-CZ 3.86Å; T567-F569 HydrophobicContact CG2-CE2 4.12Å; T567-F569 HydrophobicContact CG2-CZ 4.28Å; F569-I608 HydrophobicContact CB-CG2 4.2Å; F569-I608 HydrophobicContact CD1-CD1 4.13Å; F569-I608 HydrophobicContact CD1-CG2 4.29Å; F569-I608 HydrophobicContact CD2-CG2 3.69Å; F569-I608 HydrophobicContact CE2-CG2 4.1Å; F569-I608 HydrophobicContact CG-CD1 4.46Å; F569-I608 HydrophobicContact CG-CG2 3.79Å; F569-R612 HydrophobicContact CD2-CB 4.2Å; F569-R612 PolarHBondContact N-O 2.93Å; F569-V613 HydrophobicContact CB-CG2 4.41Å; F569-I614 PolarHBondContact O-N 3.08Å
570F90.6Very high82.4Confident7 Ų754.1 Ų54.13%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-100.4120.6177.5-71.4-95000109.8A477 V478 Y479 M480 A490 H502 I614 L616A477-F570 HydrophobicContact CB-CD2 3.8Å; A477-F570 HydrophobicContact CB-CE2 3.62Å; V478-F570 PolarHBondContact O-N 2.81Å; Y479-F570 HydrophobicContact CD1-CB 3.36Å; Y479-F570 HydrophobicContact CD1-CG 4.08Å; Y479-F570 HydrophobicContact CE1-CB 3.39Å; Y479-F570 HydrophobicContact CE1-CD1 4.03Å; Y479-F570 HydrophobicContact CE1-CD2 4.15Å; Y479-F570 AromaticContact CE1-CG 3.6Å; Y479-F570 HydrophobicContact CE1-CG 3.6Å; Y479-F570 HydrophobicContact CE2-CD2 4.39Å; Y479-F570 HydrophobicContact CG-CB 4.07Å; Y479-F570 AromaticContact CZ-CG 3.93Å; M480-F570 PolarHBondContact N-O 2.86Å; A490-F570 HydrophobicContact CB-CB 4.2Å; H502-F570 AromaticContact CE1-CE2 3.71Å; H502-F570 AromaticContact CE1-CZ 3.67Å; F570-I614 HydrophobicContact CD1-CB 4.12Å; F570-I614 HydrophobicContact CD1-CG2 4.09Å; F570-I614 HydrophobicContact CE1-CB 4.18Å; F570-I614 HydrophobicContact CE1-CD1 3.78Å; F570-I614 HydrophobicContact CE1-CG2 4.03Å; F570-I614 HydrophobicContact CE2-CD1 4.35Å; F570-I614 HydrophobicContact CZ-CD1 3.68Å; F570-L616 HydrophobicContact CD1-CD1 4.26Å
571M86.1Confident82.2Confident13 Ų1355.7 Ų55.76%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-130.1145.8-179.2-59.4-172.168.100110M480 A602 P603 I608 V613 I614 E615 L616M480-M571 HydrophobicContact CB-CE 4.27Å; M480-M571 HydrophobicContact CB-CG 4.08Å; M480-M571 HydrophobicContact CG-CE 3.95Å; M480-M571 HydrophobicContact CG-CG 3.62Å; M480-M571 HydrophobicContact CG-SD 3.91Å; M571-A602 HydrophobicContact CE-CB 3.46Å; M571-A602 VanDerWaalsContact CE-CB 3.46Å; M571-P603 HydrophobicContact CE-CG 4.19Å; M571-P603 HydrophobicContact SD-CB 4.37Å; M571-P603 HydrophobicContact SD-CG 3.77Å; M571-I608 HydrophobicContact SD-CD1 3.87Å; M571-V613 HydrophobicContact CG-CG1 4.42Å; M571-V613 HydrophobicContact SD-CG1 4.2Å; M571-I614 PolarHBondContact N-O 3.3Å; M571-E615 CarbonylContact O-C 3.55Å; M571-E615 WeakPolarHBondContact O-CA 3.4Å; M571-L616 PolarHBondContact O-N 3.11Å
572S77.6Confident82.2Confident33 Ų3355.1 Ų55.123%0.23127%0.272CS..EExtended strand (participates in β ladder)trans-90.6124.3173.851.10000110.1L616S572-L616 WeakPolarHBondContact CA-O 3.37Å
573H75.8Confident82.3Confident78 Ų7863.4 Ų63.436%0.36130%0.301SS..EExtended strand (participates in β ladder)trans-94.1105.8169.9-170.691.6000109.1S575 E615 L616 G617 T618H573-S575 PolarHBondContact O-N 3.27Å; H573-E615 HydrophobicContact CB-CB 4.25Å; H573-E615 IonicContact CG-OE2 2.81Å; H573-E615 IonicContact ND1-OE2 3.11Å; H573-E615 PolarHBondContact ND1-OE2 3.42Å; H573-L616 PolarHBondContact N-O 3.07Å; H573-G617 CarbonylContact O-C 3.56Å; H573-G617 WeakPolarHBondContact O-CA 3.35Å; H573-T618 PolarHBondContact O-N 3.11Å
574E73.3Confident82.3Confident18 Ų1861.3 Ų61.38%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-85.8104-177.3-72.8154.3-153.600110.4M451 R482 L576 T618 V620M451-E574 WeakPolarHBondContact CE-OE1 3.32Å; R482-E574 IonicContact CZ-OE1 3.79Å; R482-E574 IonicContact CZ-OE2 3.76Å; R482-E574 VanDerWaalsContact CZ-OE2 3.24Å; R482-E574 IonicContact NE-OE1 2.65Å; R482-E574 IonicContact NH1-OE1 3.05Å; R482-E574 PolarHBondContact NH1-OE1 3.28Å; R482-E574 VanDerWaalsContact NH1-OE1 3.11Å; R482-E574 IonicContact NH1-OE2 2.96Å; R482-E574 PolarHBondContact NH1-OE2 3.33Å; R482-E574 IonicContact NH2-OE1 2.69Å; R482-E574 PolarHBondContact NH2-OE1 2.95Å; R482-E574 IonicContact NH2-OE2 3.19Å; R482-E574 PolarHBondContact NH2-OE2 2.97Å; E574-L576 HydrophobicContact CB-CD2 4.2Å; E574-L576 PolarHBondContact O-N 3.48Å; E574-T618 HydrophobicContact CB-CG2 4.41Å; E574-T618 HydrophobicContact CG-CG2 3.65Å; E574-V620 HydrophobicContact CG-CG2 4.18Å
575S75.3Confident82.4Confident45 Ų4561 Ų6132%0.31529%0.293SS..EExtended strand (participates in β ladder)trans-80.2114.6164.359.20000109H573 T618 Q619 V620H573-S575 PolarHBondContact O-N 3.27Å; S575-T618 PolarHBondContact N-O 3.41Å; S575-T618 PolarHBondContact OG-O 3.2Å; S575-Q619 WeakPolarHBondContact O-CA 3.39Å; S575-Q619 WeakPolarHBondContact OG-CG 3.48Å; S575-V620 PolarHBondContact O-N 3.19Å
576L78.9Confident82.6Confident22 Ų2260.8 Ų60.812%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-91.7127.5-174.4-59.4176.9000110.4L447 E574 Y592 L593 Q596 V620 I622L447-L576 HydrophobicContact CD1-CD2 3.8Å; L447-L576 HydrophobicContact CD2-CD1 4.37Å; L447-L576 HydrophobicContact CD2-CD2 4.12Å; E574-L576 HydrophobicContact CB-CD2 4.2Å; E574-L576 PolarHBondContact O-N 3.48Å; L576-Y592 HydrophobicContact CD1-CD1 4.26Å; L576-Y592 HydrophobicContact CD1-CE1 3.57Å; L576-L593 HydrophobicContact CB-CD2 3.38Å; L576-L593 HydrophobicContact CD1-CD2 4.27Å; L576-L593 HydrophobicContact CG-CD2 4.47Å; L576-L593 WeakPolarHBondContact O-CD2 3.13Å; L576-Q596 HydrophobicContact CD1-CG 3.95Å; L576-V620 WeakPolarHBondContact CA-O 3.49Å; L576-V620 HydrophobicContact CD2-CB 4.01Å; L576-I622 HydrophobicContact CB-CD1 4.17Å; L576-I622 HydrophobicContact CD1-CD1 3.63Å; L576-I622 HydrophobicContact CD2-CD1 3.66Å; L576-I622 HydrophobicContact CD2-CG1 4.12Å; L576-I622 HydrophobicContact CG-CD1 4.01Å
577I80.2Confident82.8Confident80 Ų8060.5 Ų60.541%0.4129%0.286SS..EExtended strand (participates in β ladder)trans-110.7136.1175.6-59.1176000108.4G579 Q619 V620 E621 I622I577-G579 PolarHBondContact O-N 3.08Å; I577-Q619 HydrophobicContact CD1-CB 4.13Å; I577-Q619 HydrophobicContact CD1-CG 3.95Å; I577-V620 PolarHBondContact N-O 2.96Å; I577-E621 CarbonylContact O-C 3.55Å; I577-E621 VanDerWaalsContact O-CA 3.3Å; I577-E621 WeakPolarHBondContact O-CA 3.38Å; I577-I622 PolarHBondContact O-N 2.88Å
578L81.8Confident82.8Confident38 Ų3864.9 Ų64.920%0.19930%0.302CS..  trans-83.4118.8178.6-168.765.8000110.3R586 K590 L593L578-R586 HydrophobicContact CD2-CB 4.36Å; L578-R586 HydrophobicContact CD2-CG 3.39Å; L578-R586 HydrophobicContact CG-CG 4.39Å; L578-K590 HydrophobicContact CD2-CG 4.14Å; L578-L593 HydrophobicContact CB-CD1 4.16Å
579G80.3Confident82.7Confident9 Ų963.7 Ų63.79%0.09329%0.294CS..  trans-74.2178.4176.800000114.1I577 R581 E621 I622I577-G579 PolarHBondContact O-N 3.08Å; G579-R581 PolarHBondContact O-N 3.16Å; G579-R581 VanDerWaalsContact O-N 3.16Å; G579-E621 WeakPolarHBondContact CA-OE1 3.33Å; G579-I622 PolarHBondContact N-O 3.2Å
580K79.7Confident82.6Confident214 Ų21469.4 Ų69.493%0.9332%0.319SS*.SBendtrans-66.6112.9173-70.9-175.5-178.4177.90109.7
581R82.4Confident82.6Confident38 Ų3871.3 Ų71.314%0.14333%0.329CS..  trans-139.7153.8-179.7-67.4174.2168-153.5-2.7110.6E443 G579 L585 I622E443-R581 VanDerWaalsContact CD-NH1 3.28Å; E443-R581 IonicContact OE1-NH1 3.88Å; E443-R581 PolarHBondContact OE1-NH1 3.44Å; E443-R581 IonicContact OE2-CZ 2.6Å; E443-R581 IonicContact OE2-NH1 3.85Å; E443-R581 PolarHBondContact OE2-NH1 2.57Å; E443-R581 IonicContact OE2-NH2 3.52Å; E443-R581 PolarHBondContact OE2-NH2 3.35Å; G579-R581 PolarHBondContact O-N 3.16Å; G579-R581 VanDerWaalsContact O-N 3.16Å; R581-L585 HydrophobicContact CB-CB 4.1Å; R581-I622 VanDerWaalsContact CZ-C 3.43Å; R581-I622 VanDerWaalsContact NE-C 3.32Å; R581-I622 PolarHBondContact NE-O 3.17Å; R581-I622 VanDerWaalsContact NE-O 3.15Å; R581-I622 PolarHBondContact NE-OXT 3.32Å; R581-I622 PolarHBondContact NH2-OXT 3.05Å
582P84Confident82.8Confident69 Ų6970.9 Ų70.945%0.44833%0.327SS..  trans-50.1150.2167.3-25.933000112.4Y584 L585 R586P582-Y584 VanDerWaalsContact C-N 3.3Å; P582-Y584 HydrophobicContact CB-CD1 3.95Å; P582-Y584 HydrophobicContact CB-CE1 3.52Å; P582-Y584 HydrophobicContact CG-CE1 4.35Å; P582-Y584 PolarHBondContact O-N 3.39Å; P582-Y584 VanDerWaalsContact O-N 3.16Å; P582-L585 HydrophobicContact CG-CD1 4.47Å; P582-L585 PolarHBondContact O-N 2.88Å; P582-L585 VanDerWaalsContact O-N 3.08Å; P582-R586 PolarHBondContact O-N 3.34Å
583W85Confident83.3Confident192 Ų19270.7 Ų70.773%0.72732%0.323SS*.Hα-helixtrans-54.8-39.5-17071.3-93.9000114R586 L587W583-R586 VanDerWaalsContact O-CB 3.27Å; W583-R586 WeakPolarHBondContact O-CB 3.29Å; W583-R586 PolarHBondContact O-N 3.07Å; W583-L587 HydrophobicContact CE3-CD1 3.69Å; W583-L587 HydrophobicContact CZ3-CD1 3.6Å; W583-L587 PolarHBondContact O-N 3.49Å
584Y80.8Confident83.9Confident125 Ų12571.7 Ų71.749%0.4933%0.331SS..Hα-helixtrans-70.3-36.8-179.165-89.2000112.6P582 R586 L587 R588P582-Y584 VanDerWaalsContact C-N 3.3Å; P582-Y584 HydrophobicContact CB-CD1 3.95Å; P582-Y584 HydrophobicContact CB-CE1 3.52Å; P582-Y584 HydrophobicContact CG-CE1 4.35Å; P582-Y584 PolarHBondContact O-N 3.39Å; P582-Y584 VanDerWaalsContact O-N 3.16Å; Y584-R586 VanDerWaalsContact C-N 3.3Å; Y584-L587 PolarHBondContact O-N 3.03Å; Y584-R588 PolarHBondContact O-N 2.7Å
585L84.2Confident84.6Confident25 Ų2572.2 Ų72.213%0.13133%0.334CS..Hα-helixtrans-71.9-28.3171.3-68.4178.5000111.6R581 P582 G589R581-L585 HydrophobicContact CB-CB 4.1Å; P582-L585 HydrophobicContact CG-CD1 4.47Å; P582-L585 PolarHBondContact O-N 2.88Å; P582-L585 VanDerWaalsContact O-N 3.08Å; L585-G589 PolarHBondContact O-N 3.02Å
586R85.5Confident85.1Confident140 Ų14073.2 Ų73.253%0.52833%0.333SS..Hα-helixtrans-67-40.5174.8-158.7-177.6-176.4166.40.6111.3L578 P582 W583 Y584 G589 K590L578-R586 HydrophobicContact CD2-CB 4.36Å; L578-R586 HydrophobicContact CD2-CG 3.39Å; L578-R586 HydrophobicContact CG-CG 4.39Å; P582-R586 PolarHBondContact O-N 3.34Å; W583-R586 VanDerWaalsContact O-CB 3.27Å; W583-R586 WeakPolarHBondContact O-CB 3.29Å; W583-R586 PolarHBondContact O-N 3.07Å; Y584-R586 VanDerWaalsContact C-N 3.3Å; R586-G589 PolarHBondContact O-N 3.17Å; R586-K590 WeakPolarHBondContact O-CG 3.39Å; R586-K590 PolarHBondContact O-N 3.29Å
587L87.6Confident85.3Confident99 Ų9981.9 Ų81.952%0.51837%0.365SS..Hα-helixtrans-62.7-47.5173.7-71.7172000111.7W583 Y584 G589 K590 L591W583-L587 HydrophobicContact CE3-CD1 3.69Å; W583-L587 HydrophobicContact CZ3-CD1 3.6Å; W583-L587 PolarHBondContact O-N 3.49Å; Y584-L587 PolarHBondContact O-N 3.03Å; L587-G589 VanDerWaalsContact C-N 3.33Å; L587-G589 PolarHBondContact O-N 3.39Å; L587-K590 PolarHBondContact O-N 2.85Å; L587-L591 PolarHBondContact O-N 3.47Å
588R88.5Confident85.5Confident92 Ų9283.6 Ų83.635%0.34738%0.375SS..Hα-helixtrans-57.5-44.9174-76.1-167.8173.4-172.7-2.4112.2T439 Y584 L591 Y592T439-R588 HydrophobicContact CG2-CB 3.79Å; T439-R588 HydrophobicContact CG2-CG 4.12Å; T439-R588 WeakPolarHBondContact CG2-O 3.34Å; Y584-R588 PolarHBondContact O-N 2.7Å; R588-L591 PolarHBondContact O-N 3.32Å; R588-Y592 WeakPolarHBondContact O-CB 3.44Å; R588-Y592 PolarHBondContact O-N 3.45Å
589G87.8Confident85.4Confident1 Ų182.5 Ų82.51%0.0137%0.371CS..Hα-helixtrans-61.3-43.5175.500000113L585 R586 L587 L591 Y592 L593L585-G589 PolarHBondContact O-N 3.02Å; R586-G589 PolarHBondContact O-N 3.17Å; L587-G589 VanDerWaalsContact C-N 3.33Å; L587-G589 PolarHBondContact O-N 3.39Å; G589-L591 PolarHBondContact O-N 3.31Å; G589-Y592 PolarHBondContact O-N 2.84Å; G589-L593 VanDerWaalsContact O-CG 3.29Å; G589-L593 WeakPolarHBondContact O-CG 3.11Å; G589-L593 PolarHBondContact O-N 2.97Å
590K89.4Confident85.2Confident120 Ų12084.8 Ų84.852%0.52238%0.381SS..Hα-helixtrans-61.2-43.3174.6-76.2-177177.9-173.20112.3L578 R586 L587 L593 L594L578-K590 HydrophobicContact CD2-CG 4.14Å; R586-K590 WeakPolarHBondContact O-CG 3.39Å; R586-K590 PolarHBondContact O-N 3.29Å; L587-K590 PolarHBondContact O-N 2.85Å; K590-L593 PolarHBondContact O-N 2.78Å; K590-L594 PolarHBondContact O-N 3.39Å
591L89.9Confident84.8Confident46 Ų4681.6 Ų81.624%0.24136%0.363CS..Hα-helixtrans-62-45175.5178.361.5000110.9I435 V436 T439 L587 R588 G589 L593 L594 L595I435-L591 HydrophobicContact CG2-CD2 4.3Å; V436-L591 HydrophobicContact CG2-CD2 4.27Å; T439-L591 HydrophobicContact CG2-CB 4.28Å; T439-L591 HydrophobicContact CG2-CD2 4.1Å; T439-L591 HydrophobicContact CG2-CG 4.34Å; L587-L591 PolarHBondContact O-N 3.47Å; R588-L591 PolarHBondContact O-N 3.32Å; G589-L591 PolarHBondContact O-N 3.31Å; L591-L593 PolarHBondContact O-N 3.07Å; L591-L594 WeakPolarHBondContact O-CB 3.29Å; L591-L594 PolarHBondContact O-N 3.42Å; L591-L595 HydrophobicContact CD1-CD1 4.3Å; L591-L595 HydrophobicContact CD1-CG 4.31Å; L591-L595 HydrophobicContact CG-CD1 4.09Å; L591-L595 VanDerWaalsContact O-CG 3.31Å; L591-L595 WeakPolarHBondContact O-CG 3.37Å; L591-L595 PolarHBondContact O-N 2.94Å
592Y90.1Very high84.2Confident4 Ų481.6 Ų81.62%0.01637%0.371CS..Hα-helixtrans-60.2-43.2175.3-179.9-112.1000112.3W440 E443 R444 L576 R588 G589 L594 L595 Q596 I622W440-Y592 HydrophobicContact CD2-CD2 4.25Å; W440-Y592 AromaticContact CD2-CE2 3.97Å; W440-Y592 HydrophobicContact CD2-CE2 3.97Å; W440-Y592 AromaticContact CE3-CD2 3.58Å; W440-Y592 HydrophobicContact CE3-CD2 3.58Å; W440-Y592 AromaticContact CE3-CE2 3.5Å; W440-Y592 HydrophobicContact CE3-CE2 3.5Å; W440-Y592 HydrophobicContact CH2-CE2 4.09Å; W440-Y592 HydrophobicContact CZ2-CE2 4.46Å; W440-Y592 AromaticContact CZ3-CD2 3.92Å; W440-Y592 HydrophobicContact CZ3-CD2 3.92Å; W440-Y592 AromaticContact CZ3-CE2 3.58Å; W440-Y592 HydrophobicContact CZ3-CE2 3.58Å; E443-Y592 HydrophobicContact CB-CD1 3.61Å; E443-Y592 HydrophobicContact CB-CD2 3.66Å; E443-Y592 HydrophobicContact CB-CE1 4.04Å; E443-Y592 HydrophobicContact CB-CE2 4.12Å; E443-Y592 HydrophobicContact CB-CG 3.4Å; E443-Y592 VanDerWaalsContact CB-CG 3.4Å; E443-Y592 HydrophobicContact CG-CD1 4.36Å; E443-Y592 HydrophobicContact CG-CG 4Å; R444-Y592 HydrophobicContact CB-CE2 4.35Å; L576-Y592 HydrophobicContact CD1-CD1 4.26Å; L576-Y592 HydrophobicContact CD1-CE1 3.57Å; R588-Y592 WeakPolarHBondContact O-CB 3.44Å; R588-Y592 PolarHBondContact O-N 3.45Å; G589-Y592 PolarHBondContact O-N 2.84Å; Y592-L594 VanDerWaalsContact C-N 3.34Å; Y592-L594 PolarHBondContact O-N 3.43Å; Y592-L595 PolarHBondContact O-N 3.33Å; Y592-Q596 VanDerWaalsContact O-CB 3.25Å; Y592-Q596 WeakPolarHBondContact O-CB 3.48Å; Y592-Q596 PolarHBondContact O-N 2.84Å; Y592-I622 HydrophobicContact CD1-CD1 4.1Å; Y592-I622 HydrophobicContact CE1-CD1 3.66Å
593L88.1Confident83.4Confident30 Ų3078.8 Ų78.816%0.15735%0.353CS..Hα-helixtrans-61.4-41.1175-70.5175.2000112.2L576 L578 G589 K590 L591 R597L576-L593 HydrophobicContact CB-CD2 3.38Å; L576-L593 HydrophobicContact CD1-CD2 4.27Å; L576-L593 HydrophobicContact CG-CD2 4.47Å; L576-L593 WeakPolarHBondContact O-CD2 3.13Å; L578-L593 HydrophobicContact CB-CD1 4.16Å; G589-L593 VanDerWaalsContact O-CG 3.29Å; G589-L593 WeakPolarHBondContact O-CG 3.11Å; G589-L593 PolarHBondContact O-N 2.97Å; K590-L593 PolarHBondContact O-N 2.78Å; L591-L593 PolarHBondContact O-N 3.07Å; L593-R597 WeakPolarHBondContact O-CB 3.34Å; L593-R597 WeakPolarHBondContact O-CG 3.27Å; L593-R597 PolarHBondContact O-N 3.44Å
594L88.6Confident82.7Confident99 Ų9974.4 Ų74.452%0.51834%0.344SS..Hα-helixtrans-63.1-47.3175.9-177.372.2000111.3K590 L591 Y592 R597 N598K590-L594 PolarHBondContact O-N 3.39Å; L591-L594 WeakPolarHBondContact O-CB 3.29Å; L591-L594 PolarHBondContact O-N 3.42Å; Y592-L594 VanDerWaalsContact C-N 3.34Å; Y592-L594 PolarHBondContact O-N 3.43Å; L594-R597 PolarHBondContact O-N 2.99Å; L594-N598 PolarHBondContact O-N 3.1Å; L594-N598 PolarHBondContact O-ND2 3.09Å
595L88.6Confident82.1Confident29 Ų2972.1 Ų72.115%0.15234%0.338CS..Hα-helixtrans-63.8-42.7177.9-67.5170.6000111.6V436 W440 L591 Y592 R597 N598 A599V436-L595 HydrophobicContact CG1-CD1 3.99Å; V436-L595 HydrophobicContact CG1-CD2 4.45Å; W440-L595 HydrophobicContact CE3-CB 3.86Å; W440-L595 HydrophobicContact CE3-CD1 4.22Å; W440-L595 HydrophobicContact CZ3-CB 3.9Å; L591-L595 HydrophobicContact CD1-CD1 4.3Å; L591-L595 HydrophobicContact CD1-CG 4.31Å; L591-L595 HydrophobicContact CG-CD1 4.09Å; L591-L595 VanDerWaalsContact O-CG 3.31Å; L591-L595 WeakPolarHBondContact O-CG 3.37Å; L591-L595 PolarHBondContact O-N 2.94Å; Y592-L595 PolarHBondContact O-N 3.33Å; L595-R597 PolarHBondContact O-N 3.13Å; L595-N598 CarbonylContact O-C 3.59Å; L595-N598 PolarHBondContact O-N 3.24Å; L595-A599 PolarHBondContact O-N 3.22Å
596Q85.3Confident81.5Confident65 Ų6572.3 Ų72.330%0.30434%0.338SS..Hα-helixtrans-65-38.9178.8-176.468.322.400111.7W440 L576 Y592 N598 A599W440-Q596 HydrophobicContact CZ3-CB 4.39Å; L576-Q596 HydrophobicContact CD1-CG 3.95Å; Y592-Q596 VanDerWaalsContact O-CB 3.25Å; Y592-Q596 WeakPolarHBondContact O-CB 3.48Å; Y592-Q596 PolarHBondContact O-N 2.84Å; Q596-N598 VanDerWaalsContact C-N 3.26Å; Q596-N598 PolarHBondContact O-N 3.08Å; Q596-A599 WeakPolarHBondContact O-CB 3.25Å; Q596-A599 PolarHBondContact O-N 2.91Å; Q596-A599 VanDerWaalsContact O-N 3.15Å
597R83.7Confident80.9Confident204 Ų20470.5 Ų70.577%0.7734%0.335SS*.Hα-helixtrans-63.1-33.6176.1-77.6170.8-178.7-166.8-0.5112.6L593 L594 L595L593-R597 WeakPolarHBondContact O-CB 3.34Å; L593-R597 WeakPolarHBondContact O-CG 3.27Å; L593-R597 PolarHBondContact O-N 3.44Å; L594-R597 PolarHBondContact O-N 2.99Å; L595-R597 PolarHBondContact O-N 3.13Å
598N84Confident80.5Confident116 Ų11666.1 Ų66.162%0.6231%0.312SS*.THydrogen-bonded Turntrans-90.7-1.5177.1-66.7-46.1000113L594 L595 Q596L594-N598 PolarHBondContact O-N 3.1Å; L594-N598 PolarHBondContact O-ND2 3.09Å; L595-N598 CarbonylContact O-C 3.59Å; L595-N598 PolarHBondContact O-N 3.24Å; Q596-N598 VanDerWaalsContact C-N 3.26Å; Q596-N598 PolarHBondContact O-N 3.08Å
599A80.5Confident80.1Confident15 Ų1563.1 Ų63.112%0.12431%0.305CS..SBendtrans-73.5145.1-179.300000110.8P323 W440 L595 Q596 R601P323-A599 CarbonylContact O-C 3.49Å; P323-A599 WeakPolarHBondContact O-CA 3.29Å; P323-A599 WeakPolarHBondContact O-CB 3.46Å; W440-A599 HydrophobicContact CH2-CB 4.48Å; L595-A599 PolarHBondContact O-N 3.22Å; Q596-A599 WeakPolarHBondContact O-CB 3.25Å; Q596-A599 PolarHBondContact O-N 2.91Å; Q596-A599 VanDerWaalsContact O-N 3.15Å; A599-R601 PolarHBondContact O-N 3.33Å
600L75.8Confident79.7Confident58 Ų5868.6 Ų68.630%0.30434%0.34SS..PPolyproline II helixtrans-60.3133.7173.3-169.369.6000109.5P323 D604 Q605P323-L600 HydrophobicContact CB-CB 4.42Å; P323-L600 PolarHBondContact O-N 2.91Å; L600-D604 HydrophobicContact CD1-CB 4.04Å; L600-D604 HydrophobicContact CG-CB 4.23Å; L600-Q605 HydrophobicContact CD2-CB 4.28Å
601R71.3Confident79.5Confident146 Ų14668.8 Ų68.855%0.55135%0.346SS*.PPolyproline II helixtrans-72.3149.9-179.7-58.8-176.2178.8-174.72.4110.3A599 D604 Q605A599-R601 PolarHBondContact O-N 3.33Å; R601-D604 PolarHBondContact O-N 3.1Å; R601-Q605 PolarHBondContact O-N 3.22Å
602A69Low79.3Confident38 Ų3869 Ų6931%0.31434%0.344SS..Hα-helixtrans-61.1-39.5-178.500000114.4M571 D604 Q605 F606M571-A602 HydrophobicContact CE-CB 3.46Å; M571-A602 VanDerWaalsContact CE-CB 3.46Å; A602-D604 VanDerWaalsContact C-N 3.33Å; A602-D604 PolarHBondContact O-N 3.38Å; A602-Q605 WeakPolarHBondContact O-CB 3.23Å; A602-Q605 PolarHBondContact O-N 3.12Å; A602-F606 HydrophobicContact CB-CD2 4.41Å; A602-F606 HydrophobicContact CB-CE2 4.04Å; A602-F606 WeakPolarHBondContact O-CD2 3.41Å; A602-F606 WeakPolarHBondContact O-CG 3.45Å; A602-F606 PolarHBondContact O-N 2.99Å
603P68Low79.1Confident11 Ų1170.1 Ų70.17%0.07135%0.351CS..Hα-helixtrans-59.8-42.3175-21.431000113M571 Q605 F606 E607 I608 V613 E615M571-P603 HydrophobicContact CE-CG 4.19Å; M571-P603 HydrophobicContact SD-CB 4.37Å; M571-P603 HydrophobicContact SD-CG 3.77Å; P603-Q605 VanDerWaalsContact C-N 3.29Å; P603-Q605 PolarHBondContact O-N 3.06Å; P603-F606 PolarHBondContact O-N 3.13Å; P603-E607 PolarHBondContact O-N 3.01Å; P603-E607 VanDerWaalsContact O-N 3.16Å; P603-I608 PolarHBondContact O-N 3.06Å; P603-I608 VanDerWaalsContact O-N 3.09Å; P603-V613 HydrophobicContact CB-CG2 4.29Å; P603-V613 HydrophobicContact CG-CG1 4.17Å; P603-E615 WeakPolarHBondContact CG-OE1 3.37Å
604D70.5Confident79Confident99 Ų9972 Ų7253%0.52936%0.361SS..Hα-helixtrans-67.1-33.2178.1-58-34.6000111.5L600 R601 A602 F606L600-D604 HydrophobicContact CD1-CB 4.04Å; L600-D604 HydrophobicContact CG-CB 4.23Å; R601-D604 PolarHBondContact O-N 3.1Å; A602-D604 VanDerWaalsContact C-N 3.33Å; A602-D604 PolarHBondContact O-N 3.38Å; D604-F606 VanDerWaalsContact C-N 3.33Å
605Q67.2Low78.8Confident77 Ų7770.7 Ų70.736%0.3635%0.352SS..Hα-helixtrans-68.7-30.7177.7-175.7-179.9-600112.9L600 R601 A602 P603L600-Q605 HydrophobicContact CD2-CB 4.28Å; R601-Q605 PolarHBondContact O-N 3.22Å; A602-Q605 WeakPolarHBondContact O-CB 3.23Å; A602-Q605 PolarHBondContact O-N 3.12Å; P603-Q605 VanDerWaalsContact C-N 3.29Å; P603-Q605 PolarHBondContact O-N 3.06Å
606F72.4Confident78.5Confident30 Ų3071 Ų7113%0.13235%0.353CS..THydrogen-bonded Turntrans-108.511.9-174.7-53.6-48.6000113.3M480 L510 P546 V548 A602 P603 D604 I608M480-F606 HydrophobicContact CE-CD2 3.82Å; M480-F606 HydrophobicContact CE-CE2 4.04Å; L510-F606 HydrophobicContact CB-CE1 4.28Å; L510-F606 HydrophobicContact CB-CZ 4.42Å; L510-F606 HydrophobicContact CD1-CB 3.96Å; L510-F606 HydrophobicContact CD1-CD1 3.24Å; L510-F606 HydrophobicContact CD1-CD2 3.71Å; L510-F606 HydrophobicContact CD1-CE1 3.49Å; L510-F606 VanDerWaalsContact CD1-CE1 3.49Å; L510-F606 HydrophobicContact CD1-CE2 3.95Å; L510-F606 HydrophobicContact CD1-CG 3.35Å; L510-F606 HydrophobicContact CD1-CZ 3.84Å; P546-F606 HydrophobicContact CB-CD1 4.07Å; P546-F606 HydrophobicContact CG-CD1 4.3Å; P546-F606 HydrophobicContact CG-CE1 4.46Å; V548-F606 HydrophobicContact CG2-CB 4.12Å; A602-F606 HydrophobicContact CB-CD2 4.41Å; A602-F606 HydrophobicContact CB-CE2 4.04Å; A602-F606 WeakPolarHBondContact O-CD2 3.41Å; A602-F606 WeakPolarHBondContact O-CG 3.45Å; A602-F606 PolarHBondContact O-N 2.99Å; P603-F606 PolarHBondContact O-N 3.13Å; D604-F606 VanDerWaalsContact C-N 3.33Å; F606-I608 HydrophobicContact CB-CD1 4.31Å; F606-I608 HydrophobicContact CB-CG1 4.08Å; F606-I608 PolarHBondContact O-N 2.84Å
607E73.4Confident78.1Confident101 Ų10170.4 Ų70.447%0.47237%0.365SS..THydrogen-bonded Turntrans53.637.9178.6-59.8179.9170.300112.9N547 P603 P609N547-E607 PolarHBondContact ND2-OE2 3.09Å; P603-E607 PolarHBondContact O-N 3.01Å; P603-E607 VanDerWaalsContact O-N 3.16Å; E607-P609 WeakPolarHBondContact O-CD 3.43Å
608I78.1Confident77.6Confident8 Ų861.4 Ų61.44%0.04133%0.333CS..  trans-79125.7177.8-52176.2000108.6V548 M564 F569 M571 P603 F606 V613V548-I608 HydrophobicContact CB-CG1 4.31Å; V548-I608 HydrophobicContact CG2-CD1 4.2Å; V548-I608 HydrophobicContact CG2-CG1 3.78Å; M564-I608 HydrophobicContact CE-CG2 4.39Å; F569-I608 HydrophobicContact CB-CG2 4.2Å; F569-I608 HydrophobicContact CD1-CD1 4.13Å; F569-I608 HydrophobicContact CD1-CG2 4.29Å; F569-I608 HydrophobicContact CD2-CG2 3.69Å; F569-I608 HydrophobicContact CE2-CG2 4.1Å; F569-I608 HydrophobicContact CG-CD1 4.46Å; F569-I608 HydrophobicContact CG-CG2 3.79Å; M571-I608 HydrophobicContact SD-CD1 3.87Å; P603-I608 PolarHBondContact O-N 3.06Å; P603-I608 VanDerWaalsContact O-N 3.09Å; F606-I608 HydrophobicContact CB-CD1 4.31Å; F606-I608 HydrophobicContact CB-CG1 4.08Å; F606-I608 PolarHBondContact O-N 2.84Å; I608-V613 HydrophobicContact CB-CG2 3.96Å; I608-V613 HydrophobicContact CG2-CG2 3.4Å
609P81Confident77.2Confident29 Ų2962.9 Ų62.919%0.18834%0.336CS..  trans-52.3123175.9-26.334.2000111.3M564 E607 N611 R612M564-P609 HydrophobicContact CE-CG 3.63Å; M564-P609 HydrophobicContact CG-CG 4.49Å; E607-P609 WeakPolarHBondContact O-CD 3.43Å; P609-N611 WeakPolarHBondContact CB-OD1 3.5Å; P609-N611 PolarHBondContact O-N 2.79Å; P609-N611 VanDerWaalsContact O-N 3.13Å; P609-R612 HydrophobicContact CB-CG 4.16Å; P609-R612 PolarHBondContact O-N 3.35Å
610P79.1Confident76.9Confident115 Ų11563.2 Ų63.275%0.74734%0.337SS*.G310 helixtrans-63.3-26.8-170.122.5-33.3000113.2R612 V613P610-R612 PolarHBondContact O-N 3.44Å; P610-V613 PolarHBondContact O-N 3.46Å
611N85.5Confident76.8Confident124 Ų12466 Ų6666%0.66335%0.348SS*.G310 helixtrans-74.6-4.4176.564.8-21.4000114.3P609P609-N611 WeakPolarHBondContact CB-OD1 3.5Å; P609-N611 PolarHBondContact O-N 2.79Å; P609-N611 VanDerWaalsContact O-N 3.13Å
612R85Confident76.8Confident50 Ų5059.3 Ų59.319%0.18932%0.323CS..G310 helixtrans-110.8-2178.1-58.1-58.5-64.8175.8-1.2113.3M564 M565 T567 F569 P609 P610M564-R612 PolarHBondContact O-NE 3.29Å; M564-R612 VanDerWaalsContact O-NE 3.12Å; M565-R612 VanDerWaalsContact C-CZ 3.44Å; M565-R612 PolarHBondContact O-NH1 2.95Å; M565-R612 PolarHBondContact O-NH2 3.27Å; T567-R612 VanDerWaalsContact O-CZ 3.26Å; T567-R612 PolarHBondContact O-NE 3.1Å; T567-R612 PolarHBondContact O-NH2 3.15Å; F569-R612 HydrophobicContact CD2-CB 4.2Å; F569-R612 PolarHBondContact N-O 2.93Å; P609-R612 HydrophobicContact CB-CG 4.16Å; P609-R612 PolarHBondContact O-N 3.35Å; P610-R612 PolarHBondContact O-N 3.44Å
613V85.5Confident77.2Confident28 Ų2860.4 Ų60.417%0.1732%0.324CS..EExtended strand (participates in β ladder)trans-97.2128.7-175.9-177.10000110.4F569 M571 P603 I608 P610 E615F569-V613 HydrophobicContact CB-CG2 4.41Å; M571-V613 HydrophobicContact CG-CG1 4.42Å; M571-V613 HydrophobicContact SD-CG1 4.2Å; P603-V613 HydrophobicContact CB-CG2 4.29Å; P603-V613 HydrophobicContact CG-CG1 4.17Å; I608-V613 HydrophobicContact CB-CG2 3.96Å; I608-V613 HydrophobicContact CG2-CG2 3.4Å; P610-V613 PolarHBondContact O-N 3.46Å; V613-E615 HydrophobicContact CG1-CG 3.84Å
614I87.4Confident77.7Confident69 Ų6963 Ų6335%0.35434%0.337SS..EExtended strand (participates in β ladder)trans-109.7108.1168.2-60.7174.4000107.2F569 F570 M571 L616F569-I614 PolarHBondContact O-N 3.08Å; F570-I614 HydrophobicContact CD1-CB 4.12Å; F570-I614 HydrophobicContact CD1-CG2 4.09Å; F570-I614 HydrophobicContact CE1-CB 4.18Å; F570-I614 HydrophobicContact CE1-CD1 3.78Å; F570-I614 HydrophobicContact CE1-CG2 4.03Å; F570-I614 HydrophobicContact CE2-CD1 4.35Å; F570-I614 HydrophobicContact CZ-CD1 3.68Å; M571-I614 PolarHBondContact N-O 3.3Å; I614-L616 HydrophobicContact CG2-CD2 4.32Å; I614-L616 HydrophobicContact CG2-CG 4.41Å
615E84.4Confident78.1Confident72 Ų7261 Ų6134%0.33633%0.327SS..EExtended strand (participates in β ladder)trans-90.8116.7174-67-163.4164.700110.5M571 H573 P603 V613M571-E615 CarbonylContact O-C 3.55Å; M571-E615 WeakPolarHBondContact O-CA 3.4Å; H573-E615 HydrophobicContact CB-CB 4.25Å; H573-E615 IonicContact CG-OE2 2.81Å; H573-E615 IonicContact ND1-OE2 3.11Å; H573-E615 PolarHBondContact ND1-OE2 3.42Å; P603-E615 WeakPolarHBondContact CG-OE1 3.37Å; V613-E615 HydrophobicContact CG1-CG 3.84Å
616L82.1Confident78.7Confident35 Ų3560.1 Ų60.118%0.18333%0.325CS..EExtended strand (participates in β ladder)trans-95.8110.4173.7-65.3174000109.1A490 H493 N494 F570 M571 S572 H573 I614A490-L616 HydrophobicContact CB-CD1 4.27Å; A490-L616 VanDerWaalsContact O-CD1 3.25Å; A490-L616 WeakPolarHBondContact O-CD1 3.4Å; H493-L616 HydrophobicContact CB-CB 4.48Å; H493-L616 HydrophobicContact CB-CD1 4.15Å; N494-L616 HydrophobicContact CB-CD1 3.93Å; F570-L616 HydrophobicContact CD1-CD1 4.26Å; M571-L616 PolarHBondContact O-N 3.11Å; S572-L616 WeakPolarHBondContact CA-O 3.37Å; H573-L616 PolarHBondContact N-O 3.07Å; I614-L616 HydrophobicContact CG2-CD2 4.32Å; I614-L616 HydrophobicContact CG2-CG 4.41Å
617G76.7Confident79.1Confident54 Ų5461.9 Ų61.956%0.55734%0.337SS*.EExtended strand (participates in β ladder)trans-65.3130.1177.700000112H573H573-G617 CarbonylContact O-C 3.56Å; H573-G617 WeakPolarHBondContact O-CA 3.35Å
618T73.7Confident79.5Confident15 Ų1559.3 Ų59.39%0.09233%0.328CS..EExtended strand (participates in β ladder)trans-128.8144.5169.5-168.50000110H493 H573 E574 S575 V620H493-T618 PolarHBondContact NE2-OG1 2.78Å; H573-T618 PolarHBondContact O-N 3.11Å; E574-T618 HydrophobicContact CB-CG2 4.41Å; E574-T618 HydrophobicContact CG-CG2 3.65Å; S575-T618 PolarHBondContact N-O 3.41Å; S575-T618 PolarHBondContact OG-O 3.2Å; T618-V620 HydrophobicContact CG2-CG2 4.1Å
619Q74.6Confident79.6Confident146 Ų14663 Ų6368%0.68235%0.348SS*.EExtended strand (participates in β ladder)trans-98.1120.1173.8-80.4-179.44.200108.5S575 I577S575-Q619 WeakPolarHBondContact O-CA 3.39Å; S575-Q619 WeakPolarHBondContact OG-CG 3.48Å; I577-Q619 HydrophobicContact CD1-CB 4.13Å; I577-Q619 HydrophobicContact CD1-CG 3.95Å
620V73.4Confident79.5Confident23 Ų2365.6 Ų65.614%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-116.7118.3176.1-173.80000108.4L447 E574 S575 L576 I577 T618L447-V620 HydrophobicContact CD1-CB 4.31Å; L447-V620 HydrophobicContact CD1-CG1 3.72Å; E574-V620 HydrophobicContact CG-CG2 4.18Å; S575-V620 PolarHBondContact O-N 3.19Å; L576-V620 WeakPolarHBondContact CA-O 3.49Å; L576-V620 HydrophobicContact CD2-CB 4.01Å; I577-V620 PolarHBondContact N-O 2.96Å; T618-V620 HydrophobicContact CG2-CG2 4.1Å
621E74.1Confident79.5Confident116 Ų11661.5 Ų61.554%0.54233%0.328SS..EExtended strand (participates in β ladder)trans-72.9131.8170.8-166.7176.7170.600109R450 I577 G579R450-E621 PolarHBondContact NH1-O 3.05Å; I577-E621 CarbonylContact O-C 3.55Å; I577-E621 VanDerWaalsContact O-CA 3.3Å; I577-E621 WeakPolarHBondContact O-CA 3.38Å; G579-E621 WeakPolarHBondContact CA-OE1 3.33Å
622I71.4Confident78.9Confident6 Ų655.8 Ų55.83%0.03130%0.298CS..  trans-111.20172.6-65.4-174.6000108.6E443 L447 R450 L576 I577 G579 R581 Y592E443-I622 VanDerWaalsContact OE2-CG2 3.25Å; E443-I622 WeakPolarHBondContact OE2-CG2 3.31Å; L447-I622 HydrophobicContact CB-CD1 4.09Å; L447-I622 HydrophobicContact CD1-CD1 4.06Å; L447-I622 HydrophobicContact CD1-CG1 4.23Å; L447-I622 HydrophobicContact CD2-CD1 4.41Å; L447-I622 HydrophobicContact CG-CD1 4.41Å; R450-I622 PolarHBondContact NH1-OXT 3.49Å; R450-I622 PolarHBondContact NH2-OXT 3.12Å; L576-I622 HydrophobicContact CB-CD1 4.17Å; L576-I622 HydrophobicContact CD1-CD1 3.63Å; L576-I622 HydrophobicContact CD2-CD1 3.66Å; L576-I622 HydrophobicContact CD2-CG1 4.12Å; L576-I622 HydrophobicContact CG-CD1 4.01Å; I577-I622 PolarHBondContact O-N 2.88Å; G579-I622 PolarHBondContact N-O 3.2Å; R581-I622 VanDerWaalsContact CZ-C 3.43Å; R581-I622 VanDerWaalsContact NE-C 3.32Å; R581-I622 PolarHBondContact NE-O 3.17Å; R581-I622 VanDerWaalsContact NE-O 3.15Å; R581-I622 PolarHBondContact NE-OXT 3.32Å; R581-I622 PolarHBondContact NH2-OXT 3.05Å; Y592-I622 HydrophobicContact CD1-CD1 4.1Å; Y592-I622 HydrophobicContact CE1-CD1 3.66Å

Retrieved 622 of 622 residues in 222.2 ms (Link to these results)

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