A0A077Z1V0_TRITR Loading...

Phosphatidylinositol transfer protein alpha

AlphaFold DB , UniProt , Accession A0A077Z1V0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 295 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
1M83.6Confident95.8Very high113 Ų11321.3 Ų21.356%0.55710%0.1SC*.  0116.10-174.7176.775.900108.1I141 T212 V213 E225M1-I141 HydrophobicContact CE-CD1 3.63Å; M1-T212 HydrophobicContact CG-CG2 3.53Å; M1-T212 HydrophobicContact SD-CG2 3.4Å; M1-T212 WeakPolarHBondContact SD-CG2 3.47Å; M1-V213 WeakPolarHBondContact CA-O 3.43Å; M1-E225 PolarHBondContact N-OE1 3.46Å
2L88.4Confident96Very high46 Ų4619.5 Ų19.524%0.2419%0.092CC..EExtended strand (participates in β ladder)trans-104.4115.6178.3-174.260.7000109.3V213 E225 R226 Q229L2-V213 PolarHBondContact N-O 3.13Å; L2-V213 PolarHBondContact O-N 2.73Å; L2-V213 VanDerWaalsContact O-N 3.14Å; L2-E225 HydrophobicContact CB-CB 4.08Å; L2-E225 HydrophobicContact CB-CG 4.5Å; L2-E225 HydrophobicContact CD2-CB 4.03Å; L2-R226 HydrophobicContact CD2-CG 4.5Å; L2-Q229 HydrophobicContact CD2-CB 4.42Å; L2-Q229 HydrophobicContact CD2-CG 3.65Å; L2-Q229 HydrophobicContact CG-CG 4.12Å; L2-Q229 PolarHBondContact O-NE2 3.46Å; L2-Q229 VanDerWaalsContact O-NE2 3.11Å
3L96.3Very high96.2Very high6 Ų622.1 Ų22.13%0.03111%0.11CC..EExtended strand (participates in β ladder)trans-107.2120.5-176.9-170.365.8000110.9L134 A138 I141 R142 K143 L210 T212L3-L134 HydrophobicContact CD2-CD1 4.47Å; L3-A138 HydrophobicContact CD2-CB 4.19Å; L3-A138 WeakPolarHBondContact CD2-O 3.49Å; L3-I141 HydrophobicContact CB-CD1 4.33Å; L3-I141 HydrophobicContact CB-CG1 4.35Å; L3-I141 HydrophobicContact CD2-CG1 4.23Å; L3-R142 HydrophobicContact CD2-CB 4.06Å; L3-R142 HydrophobicContact CG-CB 4.49Å; L3-K143 PolarHBondContact O-N 3.26Å; L3-L210 HydrophobicContact CD1-CD1 3.65Å; L3-L210 HydrophobicContact CD1-CD2 4.1Å; L3-L210 HydrophobicContact CD1-CG 3.74Å; L3-L210 HydrophobicContact CD2-CD1 4.34Å; L3-L210 HydrophobicContact CG-CD1 3.88Å; L3-T212 VanDerWaalsContact CD1-OG1 3.27Å; L3-T212 WeakPolarHBondContact CD1-OG1 3.21Å
4R97.9Very high96.3Very high43 Ų4323.4 Ų23.416%0.16212%0.117CC..EExtended strand (participates in β ladder)trans-131134.4177-61.9-172.3-175.91800.1110.7Y6 K143 I145 L210 V211 Q229R4-Y6 HydrophobicContact CB-CD2 4.46Å; R4-Y6 HydrophobicContact CB-CE2 3.76Å; R4-Y6 WeakPolarHBondContact CD-OH 3.46Å; R4-K143 CarbonylContact C-O 3.49Å; R4-K143 WeakPolarHBondContact CA-O 3.4Å; R4-I145 HydrophobicContact CB-CD1 4.49Å; R4-I145 HydrophobicContact CG-CD1 4.48Å; R4-L210 CarbonylContact O-C 3.59Å; R4-L210 WeakPolarHBondContact O-CA 3.31Å; R4-V211 PolarHBondContact N-O 2.77Å; R4-V211 PolarHBondContact O-N 3.24Å; R4-Q229 VanDerWaalsContact CD-CD 3.49Å; R4-Q229 HydrophobicContact CG-CG 4.36Å
5E98.6Very high96.4Very high0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-106.8117.4172.7-174.7-178104.700108.9R7 H132 R142 K143 I144 I145 K209 L210E5-R7 IonicContact OE1-CZ 3.02Å; E5-R7 IonicContact OE1-NE 2.7Å; E5-R7 PolarHBondContact OE1-NE 3.05Å; E5-R7 IonicContact OE1-NH2 2.83Å; E5-R7 PolarHBondContact OE1-NH2 3.17Å; E5-H132 IonicContact OE2-CD2 3.59Å; E5-R142 HydrophobicContact CB-CG 4.07Å; E5-R142 IonicContact OE1-NH1 2.75Å; E5-R142 PolarHBondContact OE1-NH1 2.73Å; E5-R142 WeakPolarHBondContact OE2-CD 3.49Å; E5-R142 IonicContact OE2-CZ 3.3Å; E5-R142 IonicContact OE2-NE 2.75Å; E5-R142 IonicContact OE2-NH1 3.43Å; E5-R142 PolarHBondContact OE2-NH1 3.16Å; E5-K143 PolarHBondContact N-O 3.14Å; E5-I144 HydrophobicContact CB-CG1 4.46Å; E5-I144 CarbonylContact O-C 3.53Å; E5-I144 WeakPolarHBondContact O-CA 3.35Å; E5-I145 PolarHBondContact O-N 2.84Å; E5-K209 WeakPolarHBondContact CA-O 3.34Å; E5-L210 HydrophobicContact CB-CD1 3.9Å; E5-L210 HydrophobicContact CG-CD1 4.46Å
6Y98.4Very high96.5Very high0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-95.3128174.9-58.4-94.4000109.1R4 I145 I147 C207 K209 V211 Q229 N233 F236R4-Y6 HydrophobicContact CB-CD2 4.46Å; R4-Y6 HydrophobicContact CB-CE2 3.76Å; R4-Y6 WeakPolarHBondContact CD-OH 3.46Å; Y6-I145 CarbonylContact C-O 3.59Å; Y6-I145 WeakPolarHBondContact CA-O 3.49Å; Y6-I145 HydrophobicContact CD1-CB 3.78Å; Y6-I145 HydrophobicContact CD1-CD1 4.21Å; Y6-I145 HydrophobicContact CD1-CG2 3.82Å; Y6-I145 HydrophobicContact CE1-CB 4.03Å; Y6-I145 HydrophobicContact CE1-CD1 3.56Å; Y6-I145 HydrophobicContact CE1-CG1 4.36Å; Y6-I145 HydrophobicContact CE1-CG2 4.02Å; Y6-I147 HydrophobicContact CD1-CD1 3.77Å; Y6-I147 HydrophobicContact CD1-CG1 4.24Å; Y6-I147 HydrophobicContact CG-CD1 4.38Å; Y6-C207 VanDerWaalsContact O-O 3.14Å; Y6-K209 PolarHBondContact N-O 3.15Å; Y6-K209 PolarHBondContact O-N 3.46Å; Y6-V211 HydrophobicContact CD2-CG2 3.86Å; Y6-V211 HydrophobicContact CE2-CB 4.06Å; Y6-V211 HydrophobicContact CE2-CG2 3.68Å; Y6-Q229 PolarHBondContact OH-O 3.2Å; Y6-Q229 PolarHBondContact OH-OE1 3.13Å; Y6-N233 HydrophobicContact CE1-CB 3.79Å; Y6-N233 WeakPolarHBondContact CE1-OD1 3.18Å; Y6-F236 HydrophobicContact CD1-CD2 4.26Å; Y6-F236 AromaticContact CD2-CD2 3.85Å; Y6-F236 HydrophobicContact CD2-CD2 3.85Å; Y6-F236 AromaticContact CD2-CE2 3.56Å; Y6-F236 HydrophobicContact CD2-CE2 3.56Å; Y6-F236 HydrophobicContact CE2-CD2 4.43Å; Y6-F236 HydrophobicContact CE2-CE2 4.06Å; Y6-F236 AromaticContact CG-CD2 3.75Å; Y6-F236 HydrophobicContact CG-CD2 3.75Å; Y6-F236 AromaticContact CG-CE2 3.95Å; Y6-F236 HydrophobicContact CG-CE2 3.95Å
7R98.4Very high96.6Very high21 Ų2128.9 Ų28.98%0.07914%0.141CC..EExtended strand (participates in β ladder)trans-109.5117.9175.9-62.5-175.2-176.3-163.6-7.1108.5E5 G126 T128 E129 I144 I145 V146 I147 C207 Y208E5-R7 IonicContact OE1-CZ 3.02Å; E5-R7 IonicContact OE1-NE 2.7Å; E5-R7 PolarHBondContact OE1-NE 3.05Å; E5-R7 IonicContact OE1-NH2 2.83Å; E5-R7 PolarHBondContact OE1-NH2 3.17Å; R7-G126 WeakPolarHBondContact CD-O 3.46Å; R7-G126 PolarHBondContact NH1-O 3Å; R7-T128 PolarHBondContact NH1-O 2.72Å; R7-T128 PolarHBondContact NH2-O 2.91Å; R7-E129 PolarHBondContact NH2-O 2.95Å; R7-I144 HydrophobicContact CG-CG2 4.25Å; R7-I145 PolarHBondContact N-O 2.89Å; R7-V146 HydrophobicContact CB-CG2 4.48Å; R7-I147 PolarHBondContact O-N 2.75Å; R7-C207 WeakPolarHBondContact CA-O 3.35Å; R7-Y208 HydrophobicContact CG-CD1 3.89Å; R7-Y208 HydrophobicContact CG-CE1 4.01Å
8I98.1Very high96.7Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-123.6105.6-178.4-4894000108.5L10 I147 I149 C206 C207 K209 F236 H240I8-L10 HydrophobicContact CG2-CD2 3.99Å; I8-L10 HydrophobicContact CG2-CG 4.33Å; I8-I147 HydrophobicContact CG1-CB 3.94Å; I8-I147 HydrophobicContact CG1-CD1 4.04Å; I8-I147 HydrophobicContact CG1-CG1 4.35Å; I8-I149 HydrophobicContact CG2-CG2 3.82Å; I8-C206 WeakPolarHBondContact O-CA 3.49Å; I8-C207 HydrophobicContact CB-CB 4.31Å; I8-C207 HydrophobicContact CD1-CB 4.27Å; I8-C207 PolarHBondContact N-O 2.91Å; I8-C207 PolarHBondContact O-N 3.37Å; I8-K209 HydrophobicContact CD1-CB 4.46Å; I8-K209 HydrophobicContact CD1-CD 3.9Å; I8-K209 HydrophobicContact CD1-CG 4.1Å; I8-F236 HydrophobicContact CD1-CB 4.48Å; I8-H240 HydrophobicContact CG2-CB 4.12Å
9V97.7Very high96.8Very high1 Ų130.5 Ų30.51%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-77.9140172.5174.60000109.4R125 W197 F198 I205 C206V9-R125 HydrophobicContact CG2-CB 4.42Å; V9-W197 HydrophobicContact CG1-CZ3 4.43Å; V9-W197 WeakPolarHBondContact O-CH2 3.28Å; V9-F198 HydrophobicContact CB-CD2 3.86Å; V9-F198 HydrophobicContact CB-CE2 3.44Å; V9-F198 VanDerWaalsContact CB-CE2 3.44Å; V9-F198 HydrophobicContact CB-CZ 3.99Å; V9-F198 HydrophobicContact CG1-CD2 4.35Å; V9-F198 HydrophobicContact CG1-CE2 4.27Å; V9-F198 HydrophobicContact CG2-CD2 4.13Å; V9-F198 HydrophobicContact CG2-CE1 4.21Å; V9-F198 HydrophobicContact CG2-CE2 3.26Å; V9-F198 HydrophobicContact CG2-CZ 3.31Å; V9-I205 CarbonylContact C-O 3.32Å; V9-I205 VanDerWaalsContact CA-O 3.26Å; V9-I205 WeakPolarHBondContact CA-O 3.46Å; V9-C206 HydrophobicContact CG2-CB 4.1Å
10L98.3Very high96.8Very high1 Ų129 Ų291%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-136140.6-179.7-60171000110.3I8 V12 Y17 I149 Y204 I205 C207 H240 L243I8-L10 HydrophobicContact CG2-CD2 3.99Å; I8-L10 HydrophobicContact CG2-CG 4.33Å; L10-V12 HydrophobicContact CB-CG2 3.84Å; L10-V12 PolarHBondContact O-N 3.44Å; L10-Y17 HydrophobicContact CD1-CD2 3.61Å; L10-Y17 HydrophobicContact CD1-CE2 3.35Å; L10-I149 HydrophobicContact CD2-CD1 3.83Å; L10-I149 HydrophobicContact CD2-CG2 4.4Å; L10-Y204 WeakPolarHBondContact O-CA 3.36Å; L10-I205 HydrophobicContact CB-CG1 4.17Å; L10-I205 PolarHBondContact N-O 3.45Å; L10-I205 PolarHBondContact O-N 3.27Å; L10-C207 VanDerWaalsContact CD1-SG 3.58Å; L10-H240 HydrophobicContact CD2-CB 3.83Å; L10-L243 HydrophobicContact CD1-CD2 4.49Å
11P97.6Very high96.9Very high3 Ų328.4 Ų28.42%0.01914%0.137CC..SBendtrans-80.653.4179.336.6-39.8000111.8R190 L193 C201 P203 F244P11-R190 WeakPolarHBondContact O-CD 3.4Å; P11-R190 PolarHBondContact O-NH1 3.13Å; P11-L193 HydrophobicContact CG-CD1 4.18Å; P11-L193 HydrophobicContact CG-CD2 4.14Å; P11-C201 HydrophobicContact CB-CB 3.89Å; P11-P203 CarbonylContact C-O 3.56Å; P11-P203 VanDerWaalsContact C-O 3.32Å; P11-P203 WeakPolarHBondContact CA-O 3.42Å; P11-F244 HydrophobicContact CB-CE2 4.35Å; P11-F244 HydrophobicContact CG-CD2 3.4Å; P11-F244 VanDerWaalsContact CG-CD2 3.4Å; P11-F244 HydrophobicContact CG-CE2 3.21Å; P11-F244 HydrophobicContact CG-CG 4.38Å; P11-F244 HydrophobicContact CG-CZ 4.05Å
12V98.2Very high97.5Very high0 Ų023.9 Ų23.90%012%0.115CC..SBendtrans-137.6158.3-177-57.40000110.5L10 E16 Y17 Y204 I205 L247 W250L10-V12 HydrophobicContact CB-CG2 3.84Å; L10-V12 PolarHBondContact O-N 3.44Å; V12-E16 WeakPolarHBondContact CA-OE2 3.46Å; V12-E16 HydrophobicContact CB-CB 4.31Å; V12-Y17 HydrophobicContact CG2-CD2 4.11Å; V12-Y17 HydrophobicContact CG2-CG 4.43Å; V12-Y204 CarbonylContact O-C 3.47Å; V12-I205 HydrophobicContact CG2-CD1 3.77Å; V12-I205 HydrophobicContact CG2-CG1 3.86Å; V12-I205 WeakPolarHBondContact O-CG2 3.38Å; V12-L247 HydrophobicContact CG1-CD1 4.37Å; V12-W250 HydrophobicContact CG1-CH2 4.14Å
13T98.4Very high98Very high53 Ų5322.2 Ų22.233%0.32511%0.106SC..  trans-79.1166.2170.870.60000111.2E15 E16 Y17 P203T13-E15 VanDerWaalsContact C-N 3.33Å; T13-E16 PolarHBondContact N-OE2 2.93Å; T13-E16 WeakPolarHBondContact OG1-CB 3.5Å; T13-E16 VanDerWaalsContact OG1-CG 3.26Å; T13-E16 WeakPolarHBondContact OG1-CG 3.43Å; T13-E16 PolarHBondContact OG1-N 3.01Å; T13-E16 VanDerWaalsContact OG1-N 3.08Å; T13-E16 PolarHBondContact OG1-OE2 3.11Å; T13-Y17 WeakPolarHBondContact O-CB 3.47Å; T13-Y17 PolarHBondContact O-N 2.91Å; T13-P203 HydrophobicContact CG2-CB 3.61Å; T13-P203 HydrophobicContact CG2-CG 3.73Å
14L98Very high97.9Very high40 Ų4022 Ų2221%0.20911%0.105CC..Hα-helixtrans-61.9-39.8172.2-78.7177.4000112.4Y17 K18 F96 H121 V123 I205L14-Y17 PolarHBondContact O-N 3.38Å; L14-K18 WeakPolarHBondContact O-CB 3.49Å; L14-K18 PolarHBondContact O-N 3.2Å; L14-F96 HydrophobicContact CB-CE1 4.23Å; L14-F96 HydrophobicContact CB-CZ 4.31Å; L14-F96 HydrophobicContact CD2-CE1 4.32Å; L14-F96 HydrophobicContact CD2-CZ 3.83Å; L14-F96 WeakPolarHBondContact O-CZ 2.82Å; L14-H121 HydrophobicContact CD2-CB 3.64Å; L14-V123 HydrophobicContact CD1-CG2 3.49Å; L14-V123 VanDerWaalsContact CD1-CG2 3.49Å; L14-V123 HydrophobicContact CG-CG2 3.81Å; L14-I205 HydrophobicContact CD2-CB 4.42Å; L14-I205 HydrophobicContact CD2-CD1 4.44Å; L14-I205 HydrophobicContact CD2-CG2 3.81Å; L14-I205 HydrophobicContact CG-CG2 3.77Å
15E97.9Very high97.7Very high126 Ų12622.3 Ų22.359%0.58911%0.111SC*.Hα-helixtrans-66.6-43.3179.6-65-51136.700111.7T13 Y17 K18T13-E15 VanDerWaalsContact C-N 3.33Å; E15-Y17 PolarHBondContact O-N 2.92Å; E15-K18 WeakPolarHBondContact O-CB 3.42Å; E15-K18 PolarHBondContact O-N 3.22Å
16E98.4Very high97.3Very high37 Ų3722.9 Ų22.917%0.17311%0.114CC..Hα-helixtrans-60.4-46.4173.1-75175.3145.700111.1V12 T13 K18 V19 G20 R190 W250V12-E16 WeakPolarHBondContact CA-OE2 3.46Å; V12-E16 HydrophobicContact CB-CB 4.31Å; T13-E16 PolarHBondContact N-OE2 2.93Å; T13-E16 WeakPolarHBondContact OG1-CB 3.5Å; T13-E16 VanDerWaalsContact OG1-CG 3.26Å; T13-E16 WeakPolarHBondContact OG1-CG 3.43Å; T13-E16 PolarHBondContact OG1-N 3.01Å; T13-E16 VanDerWaalsContact OG1-N 3.08Å; T13-E16 PolarHBondContact OG1-OE2 3.11Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.9Å; E16-V19 PolarHBondContact O-N 3.41Å; E16-G20 PolarHBondContact O-N 3.38Å; E16-R190 IonicContact OE1-CZ 3.7Å; E16-R190 IonicContact OE1-NH1 3.96Å; E16-R190 PolarHBondContact OE1-NH1 2.96Å; E16-R190 IonicContact OE1-NH2 3.97Å; E16-R190 PolarHBondContact OE1-NH2 2.81Å; E16-R190 IonicContact OE2-CZ 2.68Å; E16-R190 IonicContact OE2-NH1 2.73Å; E16-R190 PolarHBondContact OE2-NH1 2.81Å; E16-R190 IonicContact OE2-NH2 3.06Å; E16-W250 HydrophobicContact CB-CZ3 4.04Å; E16-W250 VanDerWaalsContact O-CZ3 3.31Å; E16-W250 WeakPolarHBondContact O-CZ3 3.39Å
17Y98.5Very high96.8Very high1 Ų124.9 Ų24.90%0.00412%0.124CC..Hα-helixtrans-68.9-31.3-177.8-174.4-87.1000113L10 V12 T13 L14 E15 V19 Q21 F96 H121 I205 C207 L243L10-Y17 HydrophobicContact CD1-CD2 3.61Å; L10-Y17 HydrophobicContact CD1-CE2 3.35Å; V12-Y17 HydrophobicContact CG2-CD2 4.11Å; V12-Y17 HydrophobicContact CG2-CG 4.43Å; T13-Y17 WeakPolarHBondContact O-CB 3.47Å; T13-Y17 PolarHBondContact O-N 2.91Å; L14-Y17 PolarHBondContact O-N 3.38Å; E15-Y17 PolarHBondContact O-N 2.92Å; Y17-V19 PolarHBondContact O-N 3.01Å; Y17-Q21 HydrophobicContact CD1-CB 4.27Å; Y17-Q21 HydrophobicContact CE1-CB 3.76Å; Y17-Q21 HydrophobicContact CE1-CG 4.24Å; Y17-Q21 HydrophobicContact CE2-CB 4.38Å; Y17-Q21 VanDerWaalsContact O-CB 3.31Å; Y17-Q21 WeakPolarHBondContact O-CB 3.35Å; Y17-Q21 VanDerWaalsContact O-CG 3.3Å; Y17-Q21 WeakPolarHBondContact O-CG 3.17Å; Y17-Q21 PolarHBondContact O-N 3.34Å; Y17-Q21 PolarHBondContact O-NE2 3.48Å; Y17-Q21 VanDerWaalsContact O-NE2 3.16Å; Y17-F96 AromaticContact CD1-CE2 3.83Å; Y17-F96 HydrophobicContact CD1-CE2 3.83Å; Y17-F96 HydrophobicContact CD1-CZ 4.27Å; Y17-F96 HydrophobicContact CE1-CE2 4.33Å; Y17-H121 AromaticContact CD1-CD2 3.7Å; Y17-H121 AromaticContact CE1-CD2 3.13Å; Y17-H121 WeakPolarHBondContact CE1-CD2 3.12Å; Y17-H121 AromaticContact CE1-CE1 3.84Å; Y17-H121 AromaticContact CE1-CG 3.97Å; Y17-H121 AromaticContact CE1-NE2 3.06Å; Y17-H121 WeakPolarHBondContact CE1-NE2 3.35Å; Y17-H121 AromaticContact CZ-CD2 3.71Å; Y17-H121 AromaticContact CZ-NE2 3.57Å; Y17-H121 PolarHBondContact OH-NE2 2.91Å; Y17-I205 VanDerWaalsContact CB-CD1 3.45Å; Y17-I205 HydrophobicContact CD1-CD1 4.06Å; Y17-I205 HydrophobicContact CD2-CD1 3.76Å; Y17-I205 HydrophobicContact CG-CD1 3.46Å; Y17-I205 VanDerWaalsContact CG-CD1 3.46Å; Y17-C207 VanDerWaalsContact CZ-SG 3.5Å; Y17-C207 PolarHBondContact OH-SG 3.29Å; Y17-L243 HydrophobicContact CD2-CD1 4.03Å; Y17-L243 HydrophobicContact CD2-CD2 4.34Å; Y17-L243 HydrophobicContact CE2-CD1 3.74Å
18K97.9Very high96.2Very high74 Ų7424.8 Ų24.832%0.32213%0.126SC..Hα-helixtrans-54.2-40.7172.3-177.5-179174.1-174.10111.5L14 E15 E16 F96L14-K18 WeakPolarHBondContact O-CB 3.49Å; L14-K18 PolarHBondContact O-N 3.2Å; E15-K18 WeakPolarHBondContact O-CB 3.42Å; E15-K18 PolarHBondContact O-N 3.22Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.9Å; K18-F96 HydrophobicContact CB-CD1 3.89Å; K18-F96 HydrophobicContact CB-CD2 4.43Å; K18-F96 HydrophobicContact CB-CE1 3.8Å; K18-F96 HydrophobicContact CB-CE2 4.38Å; K18-F96 HydrophobicContact CB-CG 4.2Å; K18-F96 HydrophobicContact CB-CZ 4.05Å; K18-F96 HydrophobicContact CD-CD1 3.92Å; K18-F96 HydrophobicContact CD-CE1 4.41Å; K18-F96 HydrophobicContact CD-CG 4.44Å; K18-F96 HydrophobicContact CG-CB 4.35Å; K18-F96 HydrophobicContact CG-CD1 3.83Å; K18-F96 HydrophobicContact CG-CE1 4.27Å; K18-F96 HydrophobicContact CG-CG 3.96Å
19V98Very high95.5Very high14 Ų1425.2 Ų25.29%0.08513%0.129CC..Hα-helixtrans-81.9-53.8176.9174.90000111.1E16 Y17 Q21 L22 W23 M253 I258E16-V19 PolarHBondContact O-N 3.41Å; Y17-V19 PolarHBondContact O-N 3.01Å; V19-Q21 VanDerWaalsContact C-N 3.3Å; V19-Q21 PolarHBondContact O-N 3.27Å; V19-L22 PolarHBondContact O-N 3.32Å; V19-W23 PolarHBondContact O-N 2.96Å; V19-W23 VanDerWaalsContact O-N 3.11Å; V19-M253 HydrophobicContact CG1-CB 3.75Å; V19-M253 WeakPolarHBondContact CG1-O 3.16Å; V19-I258 HydrophobicContact CG1-CD1 3.98Å; V19-I258 HydrophobicContact CG1-CG1 3.71Å
20G98.2Very high94.8Very high0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-60.3-34.9-172.800000113.9E16 L22 N24E16-G20 PolarHBondContact O-N 3.38Å; G20-L22 VanDerWaalsContact C-N 3.32Å; G20-L22 PolarHBondContact O-N 3.16Å; G20-N24 WeakPolarHBondContact O-CB 3.32Å; G20-N24 PolarHBondContact O-N 3.31Å
21Q97.9Very high93.9Very high17 Ų1733.7 Ų33.78%0.07917%0.17CC..Hα-helixtrans-63-39.9176.179.1-175.7-87.900111.9Y17 V19 N24 V25 F96 L243Y17-Q21 HydrophobicContact CD1-CB 4.27Å; Y17-Q21 HydrophobicContact CE1-CB 3.76Å; Y17-Q21 HydrophobicContact CE1-CG 4.24Å; Y17-Q21 HydrophobicContact CE2-CB 4.38Å; Y17-Q21 VanDerWaalsContact O-CB 3.31Å; Y17-Q21 WeakPolarHBondContact O-CB 3.35Å; Y17-Q21 VanDerWaalsContact O-CG 3.3Å; Y17-Q21 WeakPolarHBondContact O-CG 3.17Å; Y17-Q21 PolarHBondContact O-N 3.34Å; Y17-Q21 PolarHBondContact O-NE2 3.48Å; Y17-Q21 VanDerWaalsContact O-NE2 3.16Å; V19-Q21 VanDerWaalsContact C-N 3.3Å; V19-Q21 PolarHBondContact O-N 3.27Å; Q21-N24 PolarHBondContact O-N 3.08Å; Q21-V25 VanDerWaalsContact O-CG2 3.26Å; Q21-V25 WeakPolarHBondContact O-CG2 3.49Å; Q21-V25 PolarHBondContact O-N 3.04Å; Q21-F96 VanDerWaalsContact NE2-CD2 3.28Å; Q21-F96 VanDerWaalsContact NE2-CE2 3.26Å; Q21-L243 HydrophobicContact CB-CD1 4.42Å
22L97.2Very high92.7Very high18 Ų1835.1 Ų35.19%0.09418%0.178CC..Hα-helixtrans-74.1-44-176.6-65.4174.3000110.2V19 G20 N24 V25 M26 I255 I258V19-L22 PolarHBondContact O-N 3.32Å; G20-L22 VanDerWaalsContact C-N 3.32Å; G20-L22 PolarHBondContact O-N 3.16Å; L22-N24 VanDerWaalsContact C-N 3.28Å; L22-N24 PolarHBondContact O-N 3.12Å; L22-V25 PolarHBondContact O-N 3.03Å; L22-M26 PolarHBondContact O-N 3.24Å; L22-I255 HydrophobicContact CD1-CD1 3.47Å; L22-I255 VanDerWaalsContact CD1-CD1 3.47Å; L22-I258 HydrophobicContact CB-CG2 3.5Å; L22-I258 VanDerWaalsContact CB-CG2 3.5Å; L22-I258 HydrophobicContact CD1-CG2 3.8Å; L22-I258 HydrophobicContact CG-CG2 4.29Å
23W97.1Very high91.4Very high12 Ų1236.3 Ų36.35%0.04519%0.186CC..Hα-helixtrans-53-49.2170.9-173.392.8000111.2V19 V25 M26 E27 T246 K249 W250 M253 I258V19-W23 PolarHBondContact O-N 2.96Å; V19-W23 VanDerWaalsContact O-N 3.11Å; W23-V25 PolarHBondContact O-N 3.46Å; W23-M26 PolarHBondContact O-N 3.22Å; W23-E27 HydrophobicContact CD2-CG 3.98Å; W23-E27 HydrophobicContact CE3-CB 4.47Å; W23-E27 HydrophobicContact CE3-CG 3.97Å; W23-E27 HydrophobicContact CH2-CB 4.33Å; W23-E27 HydrophobicContact CH2-CG 3.59Å; W23-E27 HydrophobicContact CZ2-CG 3.63Å; W23-E27 HydrophobicContact CZ3-CB 4.16Å; W23-E27 HydrophobicContact CZ3-CG 3.76Å; W23-E27 PolarHBondContact O-N 2.77Å; W23-T246 HydrophobicContact CH2-CG2 4.13Å; W23-T246 HydrophobicContact CZ3-CG2 4.11Å; W23-T246 WeakPolarHBondContact CZ3-OG1 3.31Å; W23-K249 HydrophobicContact CH2-CB 4.01Å; W23-K249 HydrophobicContact CH2-CD 3.65Å; W23-K249 HydrophobicContact CH2-CG 4.45Å; W23-K249 HydrophobicContact CZ2-CB 3.64Å; W23-K249 HydrophobicContact CZ2-CD 3.73Å; W23-K249 HydrophobicContact CZ2-CG 4.35Å; W23-W250 HydrophobicContact CB-CB 3.97Å; W23-W250 HydrophobicContact CB-CG 4.35Å; W23-W250 HydrophobicContact CD2-CB 3.88Å; W23-W250 AromaticContact CD2-CD1 3.76Å; W23-W250 HydrophobicContact CD2-CG 4.12Å; W23-W250 HydrophobicContact CE3-CB 4.45Å; W23-W250 AromaticContact CE3-CD1 3.44Å; W23-W250 VanDerWaalsContact CE3-CD1 3.44Å; W23-W250 HydrophobicContact CE3-CG 4.19Å; W23-W250 HydrophobicContact CG-CB 3.63Å; W23-W250 HydrophobicContact CG-CG 4.19Å; W23-W250 AromaticContact CZ3-CD1 3.89Å; W23-M253 HydrophobicContact CG-SD 4.42Å; W23-I258 HydrophobicContact CB-CD1 3.74Å; W23-I258 HydrophobicContact CG-CD1 4.38Å
24N95.8Very high89.8Confident0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-69.7-32.1-176.7-162.952.1000112.7G20 Q21 L22 T28 F239 Q242 L243G20-N24 WeakPolarHBondContact O-CB 3.32Å; G20-N24 PolarHBondContact O-N 3.31Å; Q21-N24 PolarHBondContact O-N 3.08Å; L22-N24 VanDerWaalsContact C-N 3.28Å; L22-N24 PolarHBondContact O-N 3.12Å; N24-T28 VanDerWaalsContact O-CB 3.22Å; N24-T28 WeakPolarHBondContact O-CB 3.34Å; N24-T28 PolarHBondContact O-N 3.1Å; N24-T28 PolarHBondContact O-OG1 3.04Å; N24-F239 HydrophobicContact CB-CE2 3.96Å; N24-F239 HydrophobicContact CB-CZ 3.84Å; N24-F239 WeakPolarHBondContact ND2-CD2 3.46Å; N24-F239 WeakPolarHBondContact ND2-CE2 3.44Å; N24-F239 WeakPolarHBondContact ND2-CG 3.13Å; N24-F239 VanDerWaalsContact ND2-CZ 3.34Å; N24-F239 WeakPolarHBondContact ND2-CZ 3.29Å; N24-F239 PolarHBondContact ND2-O 2.76Å; N24-Q242 WeakPolarHBondContact OD1-CG 3.3Å; N24-Q242 PolarHBondContact OD1-NE2 3.32Å; N24-Q242 VanDerWaalsContact OD1-NE2 3.1Å; N24-L243 HydrophobicContact CB-CB 4.33Å; N24-L243 HydrophobicContact CB-CD1 4.36Å
25V92.3Very high87.9Confident50 Ų5037.4 Ų37.430%0.30322%0.217SC..Hα-helixtrans-62.5-44.5171.1165.10000111.1Q21 L22 W23 S29 F239Q21-V25 VanDerWaalsContact O-CG2 3.26Å; Q21-V25 WeakPolarHBondContact O-CG2 3.49Å; Q21-V25 PolarHBondContact O-N 3.04Å; L22-V25 PolarHBondContact O-N 3.03Å; W23-V25 PolarHBondContact O-N 3.46Å; V25-S29 WeakPolarHBondContact O-CB 3.3Å; V25-S29 PolarHBondContact O-N 2.96Å; V25-S29 PolarHBondContact O-OG 3.33Å; V25-F239 HydrophobicContact CG2-CE2 3.74Å; V25-F239 HydrophobicContact CG2-CZ 3.92Å
26M90.2Very high86Confident12 Ų1232.5 Ų32.56%0.05920%0.2CC..Hα-helixtrans-62.3-49.1177.4-70.3-173.5-73.700111.6L22 W23 T28 S29 K30 I258 M261 E262 A265L22-M26 PolarHBondContact O-N 3.24Å; W23-M26 PolarHBondContact O-N 3.22Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-T28 PolarHBondContact O-N 2.65Å; M26-S29 WeakPolarHBondContact O-CB 3.45Å; M26-S29 PolarHBondContact O-N 3.17Å; M26-S29 VanDerWaalsContact O-N 3.13Å; M26-K30 WeakPolarHBondContact O-CG 3.37Å; M26-K30 PolarHBondContact O-N 3.16Å; M26-I258 HydrophobicContact CE-CD1 3.98Å; M26-I258 HydrophobicContact CE-CG2 4.04Å; M26-M261 HydrophobicContact CE-CB 3.64Å; M26-M261 HydrophobicContact CE-CE 4.01Å; M26-M261 HydrophobicContact CE-SD 4.2Å; M26-M261 VanDerWaalsContact SD-C 3.59Å; M26-M261 HydrophobicContact SD-CB 3.7Å; M26-E262 HydrophobicContact CE-CG 4.29Å; M26-E262 HydrophobicContact CG-CG 4.13Å; M26-E262 VanDerWaalsContact SD-CA 3.57Å; M26-E262 HydrophobicContact SD-CB 4.09Å; M26-E262 HydrophobicContact SD-CG 3.48Å; M26-E262 WeakPolarHBondContact SD-CG 3.46Å; M26-E262 PolarHBondContact SD-N 2.97Å; M26-E262 VanDerWaalsContact SD-N 3.4Å; M26-A265 HydrophobicContact SD-CB 4.38Å
27E89Confident84.5Confident43 Ų4332.5 Ų32.520%0.20120%0.2CC..Hα-helixtrans-66.1-37.7-179.4-70.5-64.9110.500112.4W23 S29 K30 N31W23-E27 HydrophobicContact CD2-CG 3.98Å; W23-E27 HydrophobicContact CE3-CB 4.47Å; W23-E27 HydrophobicContact CE3-CG 3.97Å; W23-E27 HydrophobicContact CH2-CB 4.33Å; W23-E27 HydrophobicContact CH2-CG 3.59Å; W23-E27 HydrophobicContact CZ2-CG 3.63Å; W23-E27 HydrophobicContact CZ3-CB 4.16Å; W23-E27 HydrophobicContact CZ3-CG 3.76Å; W23-E27 PolarHBondContact O-N 2.77Å; E27-S29 VanDerWaalsContact C-N 3.33Å; E27-K30 PolarHBondContact O-N 2.99Å; E27-K30 WeakPolarHBondContact OE1-CD 3.37Å; E27-K30 IonicContact OE1-NZ 3.08Å; E27-K30 PolarHBondContact OE1-NZ 3.17Å; E27-N31 WeakPolarHBondContact O-CB 3.43Å; E27-N31 VanDerWaalsContact O-CG 3.31Å; E27-N31 PolarHBondContact O-N 3.08Å; E27-N31 PolarHBondContact O-ND2 3.24Å
28T85.5Confident83.5Confident19 Ų1932.7 Ų32.712%0.11720%0.203CC..Hα-helixtrans-61.7-44.2171.8-58.70000110.4N24 M26 K30 N31 V32 I172N24-T28 VanDerWaalsContact O-CB 3.22Å; N24-T28 WeakPolarHBondContact O-CB 3.34Å; N24-T28 PolarHBondContact O-N 3.1Å; N24-T28 PolarHBondContact O-OG1 3.04Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-T28 PolarHBondContact O-N 2.65Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K30 PolarHBondContact O-N 3.05Å; T28-N31 PolarHBondContact O-N 3.23Å; T28-V32 HydrophobicContact CG2-CG1 4.33Å; T28-V32 WeakPolarHBondContact O-CG1 3.25Å; T28-V32 WeakPolarHBondContact O-CG2 3.23Å; T28-V32 PolarHBondContact O-N 3.2Å; T28-V32 VanDerWaalsContact O-N 3.08Å; T28-I172 HydrophobicContact CG2-CD1 3.77Å; T28-I172 HydrophobicContact CG2-CG1 4.22Å
29S84.4Confident82.8Confident9 Ų929.2 Ų29.26%0.06319%0.188CC..Hα-helixtrans-61.2-41.2-179.8-58.90000112.2V25 M26 E27 T33V25-S29 WeakPolarHBondContact O-CB 3.3Å; V25-S29 PolarHBondContact O-N 2.96Å; V25-S29 PolarHBondContact O-OG 3.33Å; M26-S29 WeakPolarHBondContact O-CB 3.45Å; M26-S29 PolarHBondContact O-N 3.17Å; M26-S29 VanDerWaalsContact O-N 3.13Å; E27-S29 VanDerWaalsContact C-N 3.33Å; S29-T33 VanDerWaalsContact O-CB 3.29Å; S29-T33 WeakPolarHBondContact O-CB 3.35Å; S29-T33 PolarHBondContact O-N 3.21Å; S29-T33 PolarHBondContact O-OG1 2.62Å
30K82.4Confident82.3Confident87 Ų8731.2 Ų31.238%0.37820%0.196SC..Hα-helixtrans-62.8-46.1173.5-67.6174.7-171.2167.40111.8M26 E27 T28 V32 T33M26-K30 WeakPolarHBondContact O-CG 3.37Å; M26-K30 PolarHBondContact O-N 3.16Å; E27-K30 PolarHBondContact O-N 2.99Å; E27-K30 WeakPolarHBondContact OE1-CD 3.37Å; E27-K30 IonicContact OE1-NZ 3.08Å; E27-K30 PolarHBondContact OE1-NZ 3.17Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K30 PolarHBondContact O-N 3.05Å; K30-V32 VanDerWaalsContact C-N 3.28Å; K30-V32 PolarHBondContact O-N 3.28Å; K30-T33 PolarHBondContact O-N 3.36Å
31N78.5Confident81.9Confident93 Ų9331.9 Ų31.950%0.49720%0.199SC..Hα-helixtrans-66.6-25.2-177.7-76.3-44.4000114.1E27 T28E27-N31 WeakPolarHBondContact O-CB 3.43Å; E27-N31 VanDerWaalsContact O-CG 3.31Å; E27-N31 PolarHBondContact O-N 3.08Å; E27-N31 PolarHBondContact O-ND2 3.24Å; T28-N31 PolarHBondContact O-N 3.23Å
32V72.3Confident81.6Confident33 Ų3333.9 Ų33.920%0.221%0.21CC..Hα-helixtrans-99.8-5-178.2-55.90000114.1T28 K30 V39 K72 F171T28-V32 HydrophobicContact CG2-CG1 4.33Å; T28-V32 WeakPolarHBondContact O-CG1 3.25Å; T28-V32 WeakPolarHBondContact O-CG2 3.23Å; T28-V32 PolarHBondContact O-N 3.2Å; T28-V32 VanDerWaalsContact O-N 3.08Å; K30-V32 VanDerWaalsContact C-N 3.28Å; K30-V32 PolarHBondContact O-N 3.28Å; V32-V39 HydrophobicContact CG2-CG2 3.97Å; V32-K72 PolarHBondContact O-NZ 3.48Å; V32-F171 WeakPolarHBondContact CG1-O 3.41Å
33T70.8Confident81.5Confident25 Ų2536.5 Ų36.515%0.15322%0.222CC..  trans-99.6121.3-178.4-61.40000110.4S29 K30 Q37 G38 V39 L269 V272S29-T33 VanDerWaalsContact O-CB 3.29Å; S29-T33 WeakPolarHBondContact O-CB 3.35Å; S29-T33 PolarHBondContact O-N 3.21Å; S29-T33 PolarHBondContact O-OG1 2.62Å; K30-T33 PolarHBondContact O-N 3.36Å; T33-Q37 WeakPolarHBondContact CA-O 3.48Å; T33-G38 WeakPolarHBondContact OG1-CA 3.47Å; T33-V39 PolarHBondContact OG1-N 3.04Å; T33-V39 VanDerWaalsContact OG1-N 3.08Å; T33-L269 HydrophobicContact CG2-CD2 3.81Å; T33-V272 HydrophobicContact CG2-CB 4.45Å; T33-V272 HydrophobicContact CG2-CG1 3.93Å
34G65.4Low81.3Confident37 Ų3737.7 Ų37.738%0.38123%0.229SC..BIsolated β-bridgetrans157.8157.9-177.300000112.4G36 Q37G34-G36 VanDerWaalsContact C-N 3.32Å; G34-G36 PolarHBondContact O-N 3.01Å; G34-Q37 PolarHBondContact N-O 3.26Å; G34-Q37 PolarHBondContact O-N 3.26Å; G34-Q37 VanDerWaalsContact O-N 3.16Å; G34-Q37 VanDerWaalsContact O-O 3.13Å
35G58.2Low81.2Confident79 Ų7942.4 Ų42.481%0.81425%0.251SS*.THydrogen-bonded Turntrans62.928171.400000116
36G57.3Low81.4Confident23 Ų2342.6 Ų42.624%0.23726%0.258CS..THydrogen-bonded Turntrans90.86.5-177.900000114.6G34 L276G34-G36 VanDerWaalsContact C-N 3.32Å; G34-G36 PolarHBondContact O-N 3.01Å; G36-L276 VanDerWaalsContact N-CD2 3.34Å
37Q68.7Low81.7Confident37 Ų3743 Ų4317%0.17326%0.259CS..BIsolated β-bridgetrans-129.3155.9177.8-69.416257.400109.6T33 G34 S71 K72T33-Q37 WeakPolarHBondContact CA-O 3.48Å; G34-Q37 PolarHBondContact N-O 3.26Å; G34-Q37 PolarHBondContact O-N 3.26Å; G34-Q37 VanDerWaalsContact O-N 3.16Å; G34-Q37 VanDerWaalsContact O-O 3.13Å; Q37-S71 PolarHBondContact NE2-OG 3.25Å; Q37-S71 PolarHBondContact OE1-OG 3.29Å; Q37-K72 VanDerWaalsContact OE1-CG 3.26Å
38G77.2Confident82.2Confident5 Ų547.6 Ų47.65%0.05228%0.275CS..EExtended strand (participates in β ladder)trans154.8-161.9175.900000114.5T33 Y67 H68T33-G38 WeakPolarHBondContact OG1-CA 3.47Å; G38-Y67 WeakPolarHBondContact O-CA 3.35Å; G38-H68 PolarHBondContact O-N 2.76Å
39V83.7Confident82.7Confident1 Ų153.2 Ų53.21%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-114.5121.1-178.7-168.40000108.5V32 T33 I41 K65 I66 Y67V32-V39 HydrophobicContact CG2-CG2 3.97Å; T33-V39 PolarHBondContact OG1-N 3.04Å; T33-V39 VanDerWaalsContact OG1-N 3.08Å; V39-I41 HydrophobicContact CG1-CG1 4.47Å; V39-K65 HydrophobicContact CG1-CB 4.01Å; V39-K65 HydrophobicContact CG1-CD 3.72Å; V39-K65 HydrophobicContact CG1-CG 4.26Å; V39-I66 WeakPolarHBondContact CA-O 3.37Å; V39-Y67 HydrophobicContact CB-CD1 4.46Å; V39-Y67 HydrophobicContact CB-CE1 4.36Å; V39-Y67 HydrophobicContact CG1-CD1 4.39Å; V39-Y67 HydrophobicContact CG1-CE1 4.05Å; V39-Y67 HydrophobicContact CG2-CD1 3.74Å; V39-Y67 HydrophobicContact CG2-CE1 3.54Å
40E86.9Confident83.1Confident55 Ų5556.2 Ų56.226%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-97.2134.8165.5-179.2-179.8-172.800108.8L42 K65 I66 H68E40-L42 HydrophobicContact CG-CD2 3.93Å; E40-L42 WeakPolarHBondContact OE1-CD2 3.47Å; E40-K65 CarbonylContact O-C 3.53Å; E40-K65 WeakPolarHBondContact O-CA 3.44Å; E40-K65 WeakPolarHBondContact O-CB 3.34Å; E40-I66 HydrophobicContact CB-CB 4.3Å; E40-I66 PolarHBondContact N-O 3.4Å; E40-I66 PolarHBondContact O-N 3.47Å; E40-H68 IonicContact OE2-NE2 3.67Å
41I89.1Confident83.8Confident14 Ų1455.2 Ų55.27%0.07233%0.325CS..EExtended strand (participates in β ladder)trans-106.9105.3178.7-58.1178.4000108.6V39 N44 K65 K266 L269 N270V39-I41 HydrophobicContact CG1-CG1 4.47Å; I41-N44 HydrophobicContact CG2-CB 4.18Å; I41-K65 HydrophobicContact CG1-CD 4.43Å; I41-K65 HydrophobicContact CG1-CG 4.28Å; I41-K266 HydrophobicContact CB-CG 4.11Å; I41-K266 HydrophobicContact CG2-CB 4.44Å; I41-K266 HydrophobicContact CG2-CD 4.16Å; I41-K266 HydrophobicContact CG2-CG 4Å; I41-K266 WeakPolarHBondContact O-CE 3.18Å; I41-L269 HydrophobicContact CD1-CD1 3.72Å; I41-L269 HydrophobicContact CG1-CD1 4.3Å; I41-N270 PolarHBondContact N-OD1 2.78Å; I41-N270 PolarHBondContact O-ND2 3.28Å; I41-N270 PolarHBondContact O-OD1 2.91Å
42L92Very high84.6Confident59 Ų5951.5 Ų51.531%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-80.5-54.3179.3-59.3-176.9000111E40 Y64 I66 K266E40-L42 HydrophobicContact CG-CD2 3.93Å; E40-L42 WeakPolarHBondContact OE1-CD2 3.47Å; L42-Y64 HydrophobicContact CB-CD1 4.05Å; L42-Y64 HydrophobicContact CB-CG 4.25Å; L42-Y64 WeakPolarHBondContact CB-O 3.39Å; L42-Y64 HydrophobicContact CD1-CD1 3.78Å; L42-Y64 HydrophobicContact CD1-CD2 4.38Å; L42-Y64 HydrophobicContact CD1-CE1 3.58Å; L42-Y64 HydrophobicContact CD1-CE2 4.19Å; L42-Y64 HydrophobicContact CD1-CG 4.19Å; L42-Y64 PolarHBondContact N-O 3.11Å; L42-I66 HydrophobicContact CD1-CD1 3.69Å; L42-I66 HydrophobicContact CD1-CG1 3.85Å; L42-I66 HydrophobicContact CG-CD1 4.4Å; L42-I66 HydrophobicContact CG-CG1 4.37Å; L42-K266 PolarHBondContact O-NZ 3.16Å; L42-K266 VanDerWaalsContact O-NZ 3.1Å
43Q94.1Very high85.6Confident74 Ų7452.1 Ų52.135%0.34631%0.308SS..EExtended strand (participates in β ladder)trans-124.7143.3178.7-64.4172.4-58.600110.4F62 T63 Y64Q43-F62 HydrophobicContact CB-CD1 4.38Å; Q43-F62 HydrophobicContact CB-CE1 4.21Å; Q43-T63 CarbonylContact O-C 3.56Å; Q43-T63 VanDerWaalsContact O-CA 3.26Å; Q43-T63 WeakPolarHBondContact O-CA 3.38Å; Q43-Y64 PolarHBondContact N-O 3.2Å; Q43-Y64 PolarHBondContact O-N 3.29Å
44N93.3Very high86.7Confident36 Ų3654 Ų5419%0.19333%0.333CS..EExtended strand (participates in β ladder)trans-152.694.3168.8-176.85.3000106.7I41 Q61 F62 T63 E262I41-N44 HydrophobicContact CG2-CB 4.18Å; N44-Q61 WeakPolarHBondContact OD1-CG 3.41Å; N44-Q61 PolarHBondContact OD1-NE2 2.91Å; N44-F62 WeakPolarHBondContact CA-O 3.42Å; N44-T63 HydrophobicContact CB-CG2 4.24Å; N44-E262 PolarHBondContact ND2-OE2 3.45Å; N44-E262 VanDerWaalsContact ND2-OE2 3.09Å
45E94.6Very high88Confident100 Ų10059.7 Ų59.747%0.46736%0.355SS..EExtended strand (participates in β ladder)trans-148.1160.5-171.265.4-169.3178.900111.8Q61 F62E45-Q61 VanDerWaalsContact C-CD 3.43Å; E45-Q61 VanDerWaalsContact O-CD 3.28Å; E45-Q61 PolarHBondContact O-OE1 3.02Å; E45-F62 PolarHBondContact N-O 3.09Å; E45-F62 PolarHBondContact O-N 3.28Å
46A96Very high89.8Confident54 Ų5462.6 Ų62.645%0.44635%0.345SS..EExtended strand (participates in β ladder)trans-71.7133.4175.900000110.4G60A46-G60 WeakPolarHBondContact CA-O 3.05Å
47F97.6Very high91.7Very high19 Ų1964.1 Ų64.18%0.08335%0.345CS..EExtended strand (participates in β ladder)trans-106.6148.3165.275.4-90.8000110.2L52 A58 N59 G60 F62 W93 A95F47-L52 HydrophobicContact CE2-CD1 4.35Å; F47-L52 HydrophobicContact CE2-CG 4.44Å; F47-L52 HydrophobicContact CZ-CD1 3.89Å; F47-L52 HydrophobicContact CZ-CG 4.45Å; F47-A58 WeakPolarHBondContact CE2-O 3.37Å; F47-N59 WeakPolarHBondContact O-CA 3.33Å; F47-G60 VanDerWaalsContact CD1-C 3.4Å; F47-G60 PolarHBondContact N-O 3.36Å; F47-G60 PolarHBondContact O-N 2.81Å; F47-F62 HydrophobicContact CB-CB 4.32Å; F47-F62 HydrophobicContact CD1-CB 3.97Å; F47-W93 HydrophobicContact CE1-CB 3.87Å; F47-W93 HydrophobicContact CE1-CG 4.38Å; F47-W93 HydrophobicContact CZ-CB 4.05Å; F47-A95 HydrophobicContact CZ-CB 3.83Å
48R97.5Very high93.1Very high141 Ų14163.2 Ų63.253%0.53234%0.344SS..  trans-137.4154.9-178.2-60.2-66.7179-98.61.1110.8T50 A58 N59 G60R48-T50 PolarHBondContact O-N 3.07Å; R48-T50 PolarHBondContact O-OG1 3.3Å; R48-A58 CarbonylContact C-O 3.58Å; R48-A58 VanDerWaalsContact C-O 3.28Å; R48-N59 WeakPolarHBondContact CA-OD1 2.93Å; R48-N59 WeakPolarHBondContact CB-OD1 3.45Å; R48-N59 WeakPolarHBondContact CD-OD1 3.33Å; R48-G60 PolarHBondContact NH1-O 3.26Å
49N95.9Very high94.1Very high137 Ų13766.8 Ų66.873%0.73336%0.362SS*.SBendtrans47.333.8174.3-57.5-33000114.6P51 A58 N59N49-P51 WeakPolarHBondContact O-CD 3.41Å; N49-A58 PolarHBondContact N-O 3.1Å; N49-N59 PolarHBondContact N-OD1 2.83Å
50T94.8Very high94.7Very high71 Ų7167.5 Ų67.544%0.43637%0.37SS..  trans-122.283.6179.1-54.70000108.4R48 L52 A58R48-T50 PolarHBondContact O-N 3.07Å; R48-T50 PolarHBondContact O-OG1 3.3Å; T50-L52 PolarHBondContact O-N 2.93Å; T50-A58 PolarHBondContact N-O 3.03Å; T50-A58 WeakPolarHBondContact O-CA 3.18Å
51P95.5Very high95.2Very high66 Ų6666.2 Ų66.243%0.42936%0.364SS..  trans-56.3134.8-178.7-2434000112N49 G54 A58N49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-G54 WeakPolarHBondContact CB-O 3.37Å; P51-A58 HydrophobicContact CB-CB 4.41Å; P51-A58 HydrophobicContact CG-CB 4.03Å
52L95.9Very high95.6Very high15 Ų1566.5 Ų66.58%0.07936%0.364CS..SBendtrans-99.4-36.5-178.4-61.1177.1000112F47 T50 K56 F57 W93 A95 Y98 R100F47-L52 HydrophobicContact CE2-CD1 4.35Å; F47-L52 HydrophobicContact CE2-CG 4.44Å; F47-L52 HydrophobicContact CZ-CD1 3.89Å; F47-L52 HydrophobicContact CZ-CG 4.45Å; T50-L52 PolarHBondContact O-N 2.93Å; L52-K56 PolarHBondContact N-O 2.83Å; L52-F57 HydrophobicContact CB-CB 4.3Å; L52-F57 HydrophobicContact CD1-CB 4.41Å; L52-W93 HydrophobicContact CD1-CB 3.59Å; L52-W93 HydrophobicContact CD1-CG 4.35Å; L52-W93 HydrophobicContact CD2-CB 4.09Å; L52-W93 HydrophobicContact CD2-CG 3.96Å; L52-A95 HydrophobicContact CD1-CB 4.15Å; L52-Y98 HydrophobicContact CB-CD1 4.29Å; L52-Y98 HydrophobicContact CB-CE1 3.82Å; L52-Y98 HydrophobicContact CD1-CD1 3.93Å; L52-Y98 HydrophobicContact CD1-CE1 3.85Å; L52-R100 PolarHBondContact O-NH1 2.83Å; L52-R100 PolarHBondContact O-NH2 3.31Å
53V94.1Very high95.7Very high46 Ų4664.6 Ų64.628%0.27936%0.355SS..BIsolated β-bridgetrans-130.4103.3-178.5-176.80000108.8D55 K56 F57 Y98V53-D55 PolarHBondContact O-N 3.25Å; V53-K56 PolarHBondContact N-O 3.38Å; V53-K56 WeakPolarHBondContact O-CB 3.01Å; V53-K56 PolarHBondContact O-N 3.16Å; V53-F57 HydrophobicContact CB-CD2 4.03Å; V53-F57 HydrophobicContact CB-CE2 4.34Å; V53-F57 HydrophobicContact CG2-CD2 4.07Å; V53-F57 HydrophobicContact CG2-CE2 4.42Å; V53-Y98 HydrophobicContact CG2-CD1 4.4Å; V53-Y98 HydrophobicContact CG2-CD2 4.37Å; V53-Y98 HydrophobicContact CG2-CE1 3.87Å; V53-Y98 HydrophobicContact CG2-CE2 3.83Å
54G92.1Very high95.9Very high65 Ų6563.5 Ų63.567%0.6735%0.348SS*.THydrogen-bonded Turntrans52.8-129.6-167.100000109.5P51 K56P51-G54 WeakPolarHBondContact CB-O 3.37Å; G54-K56 VanDerWaalsContact C-N 3.32Å; G54-K56 PolarHBondContact O-N 2.81Å
55D94.2Very high95.8Very high157 Ų15762.6 Ų62.684%0.8434%0.343SS*.THydrogen-bonded Turntrans-88.510.7176.9-56.2-46.6000114.3V53V53-D55 PolarHBondContact O-N 3.25Å
56K96.2Very high95.5Very high139 Ų13958.6 Ų58.660%0.60432%0.324SS*.BIsolated β-bridgetrans-102.3162.1-173.5-58.2-176.9-179.4177.60112.8L52 V53 G54 A58L52-K56 PolarHBondContact N-O 2.83Å; V53-K56 PolarHBondContact N-O 3.38Å; V53-K56 WeakPolarHBondContact O-CB 3.01Å; V53-K56 PolarHBondContact O-N 3.16Å; G54-K56 VanDerWaalsContact C-N 3.32Å; G54-K56 PolarHBondContact O-N 2.81Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.44Å
57F97.3Very high95.1Very high55 Ų5558.7 Ų58.724%0.24131%0.313CS..  trans60.139174-50.1-67.4000113.8L52 V53 N59 A95 P97 Y98 M120L52-F57 HydrophobicContact CB-CB 4.3Å; L52-F57 HydrophobicContact CD1-CB 4.41Å; V53-F57 HydrophobicContact CB-CD2 4.03Å; V53-F57 HydrophobicContact CB-CE2 4.34Å; V53-F57 HydrophobicContact CG2-CD2 4.07Å; V53-F57 HydrophobicContact CG2-CE2 4.42Å; F57-N59 VanDerWaalsContact C-N 3.26Å; F57-N59 PolarHBondContact O-N 3.36Å; F57-A95 HydrophobicContact CB-CB 3.72Å; F57-A95 WeakPolarHBondContact CD1-O 3.31Å; F57-A95 WeakPolarHBondContact O-CB 3.37Å; F57-P97 HydrophobicContact CE1-CG 4.37Å; F57-Y98 HydrophobicContact CB-CD1 4.14Å; F57-Y98 VanDerWaalsContact CD1-CB 3.49Å; F57-Y98 HydrophobicContact CD1-CG 4.42Å; F57-Y98 HydrophobicContact CD2-CD1 4.04Å; F57-Y98 AromaticContact CD2-CG 3.88Å; F57-Y98 HydrophobicContact CD2-CG 3.88Å; F57-Y98 HydrophobicContact CE2-CD2 4.45Å; F57-Y98 HydrophobicContact CE2-CG 4.09Å; F57-Y98 HydrophobicContact CG-CD1 4.07Å; F57-Y98 HydrophobicContact CG-CG 4.06Å; F57-Y98 HydrophobicContact CZ-CG 4.45Å; F57-M120 HydrophobicContact CE2-SD 4.38Å; F57-M120 HydrophobicContact CZ-CE 4.12Å; F57-M120 HydrophobicContact CZ-SD 3.91Å
58A97.2Very high94.5Very high19 Ų1959.5 Ų59.516%0.15732%0.317CS..  trans-74.6-9.9-172.400000115.4F47 R48 N49 T50 P51 K56F47-A58 WeakPolarHBondContact CE2-O 3.37Å; R48-A58 CarbonylContact C-O 3.58Å; R48-A58 VanDerWaalsContact C-O 3.28Å; N49-A58 PolarHBondContact N-O 3.1Å; T50-A58 PolarHBondContact N-O 3.03Å; T50-A58 WeakPolarHBondContact O-CA 3.18Å; P51-A58 HydrophobicContact CB-CB 4.41Å; P51-A58 HydrophobicContact CG-CB 4.03Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.44Å
59N97.9Very high93.5Very high80 Ų8053.9 Ų53.943%0.42830%0.298SS..  trans-134139.4-174.3-57.7-67000110.1F47 R48 N49 F57 A95F47-N59 WeakPolarHBondContact O-CA 3.33Å; R48-N59 WeakPolarHBondContact CA-OD1 2.93Å; R48-N59 WeakPolarHBondContact CB-OD1 3.45Å; R48-N59 WeakPolarHBondContact CD-OD1 3.33Å; N49-N59 PolarHBondContact N-OD1 2.83Å; F57-N59 VanDerWaalsContact C-N 3.26Å; F57-N59 PolarHBondContact O-N 3.36Å; N59-A95 VanDerWaalsContact O-CB 3.22Å; N59-A95 WeakPolarHBondContact O-CB 3.5Å
60G96.7Very high92.2Very high16 Ų1650.6 Ų50.617%0.16528%0.28CS..EExtended strand (participates in β ladder)trans177.7-153.317900000112.8A46 F47 R48 N94A46-G60 WeakPolarHBondContact CA-O 3.05Å; F47-G60 VanDerWaalsContact CD1-C 3.4Å; F47-G60 PolarHBondContact N-O 3.36Å; F47-G60 PolarHBondContact O-N 2.81Å; R48-G60 PolarHBondContact NH1-O 3.26Å; G60-N94 CarbonylContact C-O 3.57Å; G60-N94 WeakPolarHBondContact CA-O 3.38Å
61Q96.7Very high90.8Very high28 Ų2848.2 Ų48.213%0.13127%0.266CS..EExtended strand (participates in β ladder)trans-112.2131.7172.3-164.776.5-3.200110.1N44 E45 N94N44-Q61 WeakPolarHBondContact OD1-CG 3.41Å; N44-Q61 PolarHBondContact OD1-NE2 2.91Å; E45-Q61 VanDerWaalsContact C-CD 3.43Å; E45-Q61 VanDerWaalsContact O-CD 3.28Å; E45-Q61 PolarHBondContact O-OE1 3.02Å; Q61-N94 PolarHBondContact N-O 3.04Å; Q61-N94 PolarHBondContact O-N 3.15Å
62F97.3Very high89.4Confident19 Ų1946 Ų468%0.08325%0.25CS..EExtended strand (participates in β ladder)trans-102.7135.9173175.8-108.3000109.6Q43 N44 E45 F47 Q91 A92 W93Q43-F62 HydrophobicContact CB-CD1 4.38Å; Q43-F62 HydrophobicContact CB-CE1 4.21Å; N44-F62 WeakPolarHBondContact CA-O 3.42Å; E45-F62 PolarHBondContact N-O 3.09Å; E45-F62 PolarHBondContact O-N 3.28Å; F47-F62 HydrophobicContact CB-CB 4.32Å; F47-F62 HydrophobicContact CD1-CB 3.97Å; F62-Q91 HydrophobicContact CE2-CB 3.93Å; F62-Q91 HydrophobicContact CE2-CG 4.3Å; F62-Q91 HydrophobicContact CZ-CB 4.19Å; F62-Q91 HydrophobicContact CZ-CG 4.04Å; F62-A92 CarbonylContact C-O 3.55Å; F62-A92 WeakPolarHBondContact CA-O 3.46Å; F62-A92 WeakPolarHBondContact CD2-O 3.49Å; F62-W93 AromaticContact CD2-CD1 3.66Å; F62-W93 AromaticContact CD2-CD2 3.94Å; F62-W93 HydrophobicContact CD2-CD2 3.94Å; F62-W93 AromaticContact CD2-CE2 3.58Å; F62-W93 AromaticContact CD2-CG 3.99Å; F62-W93 HydrophobicContact CD2-CG 3.99Å; F62-W93 HydrophobicContact CD2-CZ2 4.13Å; F62-W93 AromaticContact CD2-NE1 3.38Å; F62-W93 HydrophobicContact CE2-CD2 4.1Å; F62-W93 AromaticContact CE2-CE2 3.52Å; F62-W93 HydrophobicContact CE2-CH2 4.15Å; F62-W93 AromaticContact CE2-CZ2 3.57Å; F62-W93 HydrophobicContact CE2-CZ2 3.57Å; F62-W93 AromaticContact CE2-NE1 3.74Å
63T95.8Very high88.2Confident19 Ų1945.9 Ų45.912%0.11725%0.25CS..EExtended strand (participates in β ladder)trans-129.1141.5169.864.90000110.4Q43 N44 Q91 A92Q43-T63 CarbonylContact O-C 3.56Å; Q43-T63 VanDerWaalsContact O-CA 3.26Å; Q43-T63 WeakPolarHBondContact O-CA 3.38Å; N44-T63 HydrophobicContact CB-CG2 4.24Å; T63-Q91 WeakPolarHBondContact O-CA 3.49Å; T63-A92 PolarHBondContact N-O 3.17Å; T63-A92 PolarHBondContact O-N 3.18Å
64Y96.4Very high87Confident51 Ų5143.9 Ų43.920%0.224%0.238CC..EExtended strand (participates in β ladder)trans-122.7119.2170.3-177.6-164.3000108.8L42 Q43 H89 E90 Q91L42-Y64 HydrophobicContact CB-CD1 4.05Å; L42-Y64 HydrophobicContact CB-CG 4.25Å; L42-Y64 WeakPolarHBondContact CB-O 3.39Å; L42-Y64 HydrophobicContact CD1-CD1 3.78Å; L42-Y64 HydrophobicContact CD1-CD2 4.38Å; L42-Y64 HydrophobicContact CD1-CE1 3.58Å; L42-Y64 HydrophobicContact CD1-CE2 4.19Å; L42-Y64 HydrophobicContact CD1-CG 4.19Å; L42-Y64 PolarHBondContact N-O 3.11Å; Q43-Y64 PolarHBondContact N-O 3.2Å; Q43-Y64 PolarHBondContact O-N 3.29Å; Y64-H89 HydrophobicContact CE2-CB 3.98Å; Y64-H89 AromaticContact CE2-ND1 3.69Å; Y64-H89 AromaticContact CZ-ND1 3.6Å; Y64-H89 PolarHBondContact OH-CE1 3.47Å; Y64-H89 PolarHBondContact OH-ND1 2.95Å; Y64-E90 CarbonylContact C-O 3.58Å; Y64-E90 VanDerWaalsContact CA-O 3.31Å; Y64-E90 WeakPolarHBondContact CA-O 3.08Å; Y64-E90 WeakPolarHBondContact CD2-O 3.14Å; Y64-Q91 HydrophobicContact CD2-CG 3.82Å; Y64-Q91 HydrophobicContact CE2-CG 4.22Å; Y64-Q91 HydrophobicContact CG-CG 4.24Å
65K91.5Very high86.2Confident17 Ų1747.6 Ų47.67%0.07423%0.232CC..EExtended strand (participates in β ladder)trans-127.3151-177.3-52.5179.6-156.7137.40111.7V39 E40 I41 E90V39-K65 HydrophobicContact CG1-CB 4.01Å; V39-K65 HydrophobicContact CG1-CD 3.72Å; V39-K65 HydrophobicContact CG1-CG 4.26Å; E40-K65 CarbonylContact O-C 3.53Å; E40-K65 WeakPolarHBondContact O-CA 3.44Å; E40-K65 WeakPolarHBondContact O-CB 3.34Å; I41-K65 HydrophobicContact CG1-CD 4.43Å; I41-K65 HydrophobicContact CG1-CG 4.28Å; K65-E90 HydrophobicContact CB-CB 4.39Å; K65-E90 PolarHBondContact N-O 2.99Å; K65-E90 IonicContact NZ-OE1 3.7Å; K65-E90 PolarHBondContact NZ-OE1 3Å; K65-E90 PolarHBondContact O-N 2.83Å
66I90Very high85.3Confident16 Ų1641.5 Ų41.58%0.08220%0.197CC..EExtended strand (participates in β ladder)trans-112.1126168.7-63.4-179.3000108.8V39 E40 L42 K87 L88V39-I66 WeakPolarHBondContact CA-O 3.37Å; E40-I66 HydrophobicContact CB-CB 4.3Å; E40-I66 PolarHBondContact N-O 3.4Å; E40-I66 PolarHBondContact O-N 3.47Å; L42-I66 HydrophobicContact CD1-CD1 3.69Å; L42-I66 HydrophobicContact CD1-CG1 3.85Å; L42-I66 HydrophobicContact CG-CD1 4.4Å; L42-I66 HydrophobicContact CG-CG1 4.37Å; I66-K87 HydrophobicContact CG2-CB 4.23Å; I66-K87 HydrophobicContact CG2-CD 4.46Å; I66-K87 HydrophobicContact CG2-CG 4.39Å; I66-L88 CarbonylContact C-O 3.52Å; I66-L88 WeakPolarHBondContact CA-O 3.36Å
67Y86.7Confident84.3Confident56 Ų5635.8 Ų35.822%0.2217%0.173CC..EExtended strand (participates in β ladder)trans-96.4126.2170.1-65.1-77.9000110.6G38 V39 K87 L88 E90G38-Y67 WeakPolarHBondContact O-CA 3.35Å; V39-Y67 HydrophobicContact CB-CD1 4.46Å; V39-Y67 HydrophobicContact CB-CE1 4.36Å; V39-Y67 HydrophobicContact CG1-CD1 4.39Å; V39-Y67 HydrophobicContact CG1-CE1 4.05Å; V39-Y67 HydrophobicContact CG2-CD1 3.74Å; V39-Y67 HydrophobicContact CG2-CE1 3.54Å; Y67-K87 VanDerWaalsContact O-CA 3.3Å; Y67-K87 WeakPolarHBondContact O-CA 3.48Å; Y67-L88 HydrophobicContact CD2-CB 4.48Å; Y67-L88 PolarHBondContact N-O 3.44Å; Y67-L88 PolarHBondContact O-N 3.46Å; Y67-E90 HydrophobicContact CD2-CB 4.16Å; Y67-E90 HydrophobicContact CE2-CB 3.61Å; Y67-E90 HydrophobicContact CE2-CG 4.16Å; Y67-E90 WeakPolarHBondContact CE2-OE2 3.48Å; Y67-E90 VanDerWaalsContact OH-CD 3.26Å; Y67-E90 PolarHBondContact OH-OE1 3.25Å; Y67-E90 PolarHBondContact OH-OE2 3.4Å
68H84Confident83.2Confident36 Ų3637.3 Ų37.317%0.16718%0.177CC..EExtended strand (participates in β ladder)trans-97.2109174.3-57-94.6000109.8G38 E40G38-H68 PolarHBondContact O-N 2.76Å; E40-H68 IonicContact OE2-NE2 3.67Å
69L76.5Confident82.1Confident23 Ų2344 Ų4412%0.1221%0.205CC..  trans-111.520.1-167.5-56.4-177.6000115.3S71 K72 V73 T86 L88 F171L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 CarbonylContact O-C 3.54Å; L69-S71 PolarHBondContact O-N 2.86Å; L69-K72 HydrophobicContact CB-CB 4.38Å; L69-K72 HydrophobicContact CD2-CB 4.42Å; L69-K72 HydrophobicContact CD2-CD 3.97Å; L69-K72 HydrophobicContact CD2-CG 4.38Å; L69-K72 PolarHBondContact O-N 3.07Å; L69-V73 HydrophobicContact CB-CG2 3.97Å; L69-V73 PolarHBondContact O-N 2.97Å; L69-T86 WeakPolarHBondContact CB-O 3.25Å; L69-T86 PolarHBondContact N-O 3.42Å; L69-L88 HydrophobicContact CD1-CD1 3.44Å; L69-L88 VanDerWaalsContact CD1-CD1 3.44Å; L69-L88 HydrophobicContact CD1-CG 3.72Å; L69-F171 HydrophobicContact CD2-CE1 4.2Å
70D69.5Low80.8Confident68 Ų6842.2 Ų42.236%0.36420%0.195SC..THydrogen-bonded Turntrans-50.1-38.5-166.5-74.4-36000115.8R78 T86D70-R78 WeakPolarHBondContact O-CD 3.26Å; D70-T86 WeakPolarHBondContact CA-OG1 3.29Å; D70-T86 PolarHBondContact N-OG1 2.92Å; D70-T86 VanDerWaalsContact N-OG1 3.16Å; D70-T86 PolarHBondContact OD1-OG1 2.95Å
71S66.2Low79.6Confident21 Ų2142.2 Ų42.215%0.14719%0.191CC..THydrogen-bonded Turntrans-85.7-34.6172.984.90000112.7Q37 L69 V73 I169Q37-S71 PolarHBondContact NE2-OG 3.25Å; Q37-S71 PolarHBondContact OE1-OG 3.29Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 CarbonylContact O-C 3.54Å; L69-S71 PolarHBondContact O-N 2.86Å; S71-V73 VanDerWaalsContact C-N 3.31Å; S71-V73 PolarHBondContact O-N 2.75Å; S71-I169 WeakPolarHBondContact O-CD1 3.43Å; S71-I169 WeakPolarHBondContact OG-CG1 3.48Å
72K65.2Low78.2Confident20 Ų2043.9 Ų43.99%0.08721%0.205CC..THydrogen-bonded Turntrans-74.2-14-167.4-36-166.4177.91700115.5V32 Q37 L69 I169 F171V32-K72 PolarHBondContact O-NZ 3.48Å; Q37-K72 VanDerWaalsContact OE1-CG 3.26Å; L69-K72 HydrophobicContact CB-CB 4.38Å; L69-K72 HydrophobicContact CD2-CB 4.42Å; L69-K72 HydrophobicContact CD2-CD 3.97Å; L69-K72 HydrophobicContact CD2-CG 4.38Å; L69-K72 PolarHBondContact O-N 3.07Å; K72-I169 VanDerWaalsContact CA-CG2 3.45Å; K72-I169 HydrophobicContact CB-CG2 3.61Å; K72-I169 HydrophobicContact CD-CG2 4.3Å; K72-I169 HydrophobicContact CG-CG2 3.55Å; K72-F171 HydrophobicContact CB-CD1 4.47Å; K72-F171 HydrophobicContact CB-CE1 3.64Å; K72-F171 HydrophobicContact CB-CE2 4.15Å; K72-F171 HydrophobicContact CB-CZ 3.45Å; K72-F171 VanDerWaalsContact CB-CZ 3.45Å; K72-F171 HydrophobicContact CD-CD1 3.68Å; K72-F171 HydrophobicContact CD-CE1 3.56Å; K72-F171 HydrophobicContact CD-CG 4.45Å; K72-F171 HydrophobicContact CD-CZ 4.23Å; K72-F171 HydrophobicContact CG-CE1 4.21Å; K72-F171 HydrophobicContact CG-CZ 4.44Å
73V70.4Confident76.7Confident13 Ų1349.4 Ų49.48%0.07925%0.246CC..SBendtrans-74.1129.6174.3-1790000110L69 S71 L77 R78 L81 T86L69-V73 HydrophobicContact CB-CG2 3.97Å; L69-V73 PolarHBondContact O-N 2.97Å; S71-V73 VanDerWaalsContact C-N 3.31Å; S71-V73 PolarHBondContact O-N 2.75Å; V73-L77 HydrophobicContact CG1-CB 3.66Å; V73-L77 HydrophobicContact CG1-CD2 3.79Å; V73-L77 HydrophobicContact CG1-CG 3.62Å; V73-R78 HydrophobicContact CB-CG 3.61Å; V73-R78 HydrophobicContact CG1-CG 3.6Å; V73-R78 WeakPolarHBondContact O-CD 3.36Å; V73-R78 PolarHBondContact O-NE 2.87Å; V73-L81 HydrophobicContact CG1-CD1 4.24Å; V73-T86 HydrophobicContact CB-CG2 4.44Å; V73-T86 HydrophobicContact CG2-CG2 3.8Å
74P70.1Confident75.3Confident3 Ų350.3 Ų50.32%0.01926%0.259CS..  trans-53.9148.3177-26.633.7000112.7W76 L77 R78 V161 F227P74-W76 HydrophobicContact CB-CG 4.34Å; P74-W76 VanDerWaalsContact CB-NE1 3.28Å; P74-W76 PolarHBondContact O-N 3.3Å; P74-W76 VanDerWaalsContact O-N 3.08Å; P74-L77 PolarHBondContact O-N 3.3Å; P74-R78 PolarHBondContact O-N 2.96Å; P74-V161 HydrophobicContact CB-CG1 3.95Å; P74-V161 HydrophobicContact CB-CG2 4.11Å; P74-V161 HydrophobicContact CG-CG2 4.05Å; P74-F227 HydrophobicContact CG-CD1 4.04Å; P74-F227 HydrophobicContact CG-CD2 4.06Å; P74-F227 HydrophobicContact CG-CE1 3.44Å; P74-F227 VanDerWaalsContact CG-CE1 3.44Å; P74-F227 HydrophobicContact CG-CE2 3.46Å; P74-F227 VanDerWaalsContact CG-CE2 3.46Å; P74-F227 HydrophobicContact CG-CG 4.33Å; P74-F227 HydrophobicContact CG-CZ 3.13Å
75W74.9Confident74.1Confident144 Ų14448.3 Ų48.355%0.54525%0.253SS..Hα-helixtrans-51.3-43.3-177.698.450.3000111.4L77 R78 Q79 A162W75-L77 PolarHBondContact O-N 3.08Å; W75-R78 PolarHBondContact O-N 2.83Å; W75-R78 VanDerWaalsContact O-N 3.16Å; W75-Q79 WeakPolarHBondContact O-CG 3.48Å; W75-Q79 PolarHBondContact O-N 3.49Å; W75-A162 HydrophobicContact CE3-CB 4.34Å; W75-A162 HydrophobicContact CZ3-CB 4.02Å
76W75.2Confident73.5Confident29 Ų2948 Ų4811%0.1125%0.252CS..Hα-helixtrans-68-28.6-17264.2-95.2000111.6P74 F220 R223 A224 F227P74-W76 HydrophobicContact CB-CG 4.34Å; P74-W76 VanDerWaalsContact CB-NE1 3.28Å; P74-W76 PolarHBondContact O-N 3.3Å; P74-W76 VanDerWaalsContact O-N 3.08Å; W76-F220 HydrophobicContact CE3-CD1 4.12Å; W76-F220 HydrophobicContact CZ3-CD1 4.06Å; W76-R223 HydrophobicContact CH2-CG 4.09Å; W76-R223 HydrophobicContact CZ2-CG 4.01Å; W76-R223 HydrophobicContact CZ3-CG 4.43Å; W76-A224 HydrophobicContact CH2-CB 3.97Å; W76-F227 HydrophobicContact CZ2-CB 4.27Å; W76-F227 HydrophobicContact CZ2-CG 4.36Å
77L74.1Confident73.3Confident18 Ų1851 Ų519%0.09427%0.265CS..Hα-helixtrans-83.5-34.5175.6-176.956.9000110.7V73 P74 W75 Q79 L80 L81 F215V73-L77 HydrophobicContact CG1-CB 3.66Å; V73-L77 HydrophobicContact CG1-CD2 3.79Å; V73-L77 HydrophobicContact CG1-CG 3.62Å; P74-L77 PolarHBondContact O-N 3.3Å; W75-L77 PolarHBondContact O-N 3.08Å; L77-Q79 PolarHBondContact O-N 2.73Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 3.06Å; L77-L81 HydrophobicContact CD1-CD1 4.42Å; L77-L81 HydrophobicContact CD1-CG 4.39Å; L77-L81 HydrophobicContact CG-CD1 4.08Å; L77-L81 HydrophobicContact CG-CG 4.46Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.38Å; L77-L81 VanDerWaalsContact O-N 3.12Å; L77-F215 HydrophobicContact CD1-CE2 4.32Å; L77-F215 HydrophobicContact CD1-CZ 3.96Å
78R75.8Confident73.5Confident87 Ų8749.6 Ų49.633%0.32826%0.261SS..Hα-helixtrans-62.9-26.5172-73.5-168.8-75.21410.5113.9D70 V73 P74 W75 L80D70-R78 WeakPolarHBondContact O-CD 3.26Å; V73-R78 HydrophobicContact CB-CG 3.61Å; V73-R78 HydrophobicContact CG1-CG 3.6Å; V73-R78 WeakPolarHBondContact O-CD 3.36Å; V73-R78 PolarHBondContact O-NE 2.87Å; P74-R78 PolarHBondContact O-N 2.96Å; W75-R78 PolarHBondContact O-N 2.83Å; W75-R78 VanDerWaalsContact O-N 3.16Å; R78-L80 PolarHBondContact O-N 2.72Å
79Q73.7Confident73.9Confident160 Ų16048.6 Ų48.675%0.74826%0.257SS*.THydrogen-bonded Turntrans-71.3-19.3173.8-68.2-58.3-72.600112.9W75 L77W75-Q79 WeakPolarHBondContact O-CG 3.48Å; W75-Q79 PolarHBondContact O-N 3.49Å; L77-Q79 PolarHBondContact O-N 2.73Å
80L70.5Confident74.8Confident43 Ų4348.4 Ų48.423%0.22526%0.255CS..THydrogen-bonded Turntrans-94.5-32.3179.3-55.5171.5000111.6L77 R78 Y108 W217 F220L77-L80 HydrophobicContact CD1-CD1 4.27Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 3.06Å; R78-L80 PolarHBondContact O-N 2.72Å; L80-Y108 PolarHBondContact O-OH 3.08Å; L80-Y108 VanDerWaalsContact O-OH 3.1Å; L80-W217 HydrophobicContact CB-CE3 4.28Å; L80-W217 HydrophobicContact CB-CH2 3.39Å; L80-W217 HydrophobicContact CB-CZ2 4.4Å; L80-W217 HydrophobicContact CB-CZ3 3.3Å; L80-W217 HydrophobicContact CD1-CE3 3.99Å; L80-W217 HydrophobicContact CD1-CZ3 3.79Å; L80-W217 HydrophobicContact CG-CH2 4.44Å; L80-W217 HydrophobicContact CG-CZ3 4.12Å; L80-W217 WeakPolarHBondContact O-CH2 3.35Å; L80-F220 HydrophobicContact CD1-CB 4.47Å; L80-F220 HydrophobicContact CD1-CD1 3.72Å; L80-F220 HydrophobicContact CD1-CD2 3.71Å; L80-F220 HydrophobicContact CD1-CE1 3.79Å; L80-F220 HydrophobicContact CD1-CE2 3.79Å; L80-F220 HydrophobicContact CD1-CG 3.68Å; L80-F220 HydrophobicContact CD1-CZ 3.83Å; L80-F220 HydrophobicContact CD2-CD2 4.37Å; L80-F220 HydrophobicContact CD2-CE1 4.42Å; L80-F220 HydrophobicContact CD2-CE2 3.68Å; L80-F220 HydrophobicContact CD2-CZ 3.72Å; L80-F220 HydrophobicContact CG-CE2 4.39Å; L80-F220 HydrophobicContact CG-CZ 4.32Å
81L70.3Confident76.2Confident15 Ų1548.3 Ų48.38%0.07925%0.252CS..SBendtrans-88.7133.2-178.8-62178.8000111.4V73 L77 A85 Y108 M109 W217V73-L81 HydrophobicContact CG1-CD1 4.24Å; L77-L81 HydrophobicContact CD1-CD1 4.42Å; L77-L81 HydrophobicContact CD1-CG 4.39Å; L77-L81 HydrophobicContact CG-CD1 4.08Å; L77-L81 HydrophobicContact CG-CG 4.46Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.38Å; L77-L81 VanDerWaalsContact O-N 3.12Å; L81-A85 HydrophobicContact CB-CB 4.15Å; L81-Y108 HydrophobicContact CD2-CD1 3.37Å; L81-Y108 HydrophobicContact CD2-CE1 3.46Å; L81-Y108 VanDerWaalsContact CD2-CE1 3.46Å; L81-Y108 HydrophobicContact CD2-CG 4.47Å; L81-M109 HydrophobicContact CD2-CE 4.23Å; L81-M109 HydrophobicContact CD2-CG 4.23Å; L81-M109 HydrophobicContact CD2-SD 4.25Å; L81-W217 HydrophobicContact CD2-CH2 4.48Å; L81-W217 HydrophobicContact CD2-CZ3 4.36Å
82P68Low77.7Confident64 Ų6447.7 Ų47.742%0.41625%0.249SC..PPolyproline II helixtrans-55157.5166.8-24.732.6000112.1G84 A85 Y108P82-G84 PolarHBondContact O-N 3.28Å; P82-A85 HydrophobicContact CB-CB 4.32Å; P82-A85 HydrophobicContact CG-CB 4.45Å; P82-A85 WeakPolarHBondContact O-CB 3.26Å; P82-A85 PolarHBondContact O-N 3.14Å; P82-Y108 HydrophobicContact CG-CD2 3.63Å; P82-Y108 HydrophobicContact CG-CE2 3.23Å
83S66.7Low79.3Confident134 Ų13449.2 Ų49.294%0.93725%0.254SS*.THydrogen-bonded Turntrans-58.1126.5171.7-67.70000109.9
84G64.7Low80.6Confident38 Ų3849.7 Ų49.739%0.39226%0.256SS..THydrogen-bonded Turntrans90.3-11-177.400000115.4P82 T86P82-G84 PolarHBondContact O-N 3.28Å; G84-T86 PolarHBondContact O-N 2.94Å
85A72.7Confident81.9Confident10 Ų1049.9 Ų49.98%0.08326%0.258CS..THydrogen-bonded Turntrans-75.813.5175.300000113.7L81 P82 K87 N105 Y108L81-A85 HydrophobicContact CB-CB 4.15Å; P82-A85 HydrophobicContact CB-CB 4.32Å; P82-A85 HydrophobicContact CG-CB 4.45Å; P82-A85 WeakPolarHBondContact O-CB 3.26Å; P82-A85 PolarHBondContact O-N 3.14Å; A85-K87 VanDerWaalsContact C-N 3.33Å; A85-N105 PolarHBondContact O-ND2 3.35Å; A85-Y108 HydrophobicContact CB-CD1 4.26Å; A85-Y108 HydrophobicContact CB-CD2 4.29Å; A85-Y108 HydrophobicContact CB-CG 3.82Å
86T79.1Confident83Confident10 Ų1045 Ų456%0.06124%0.241CC..THydrogen-bonded Turntrans-90.75.8-179.473.30000113.3L69 D70 V73 G84L69-T86 WeakPolarHBondContact CB-O 3.25Å; L69-T86 PolarHBondContact N-O 3.42Å; D70-T86 WeakPolarHBondContact CA-OG1 3.29Å; D70-T86 PolarHBondContact N-OG1 2.92Å; D70-T86 VanDerWaalsContact N-OG1 3.16Å; D70-T86 PolarHBondContact OD1-OG1 2.95Å; V73-T86 HydrophobicContact CB-CG2 4.44Å; V73-T86 HydrophobicContact CG2-CG2 3.8Å; G84-T86 PolarHBondContact O-N 2.94Å
87K86Confident84.1Confident78 Ų7845.6 Ų45.634%0.33925%0.248SC..EExtended strand (participates in β ladder)trans-73.3127176.5-65.5-179.1-172.3174.40110.7I66 Y67 A85 N105I66-K87 HydrophobicContact CG2-CB 4.23Å; I66-K87 HydrophobicContact CG2-CD 4.46Å; I66-K87 HydrophobicContact CG2-CG 4.39Å; Y67-K87 VanDerWaalsContact O-CA 3.3Å; Y67-K87 WeakPolarHBondContact O-CA 3.48Å; A85-K87 VanDerWaalsContact C-N 3.33Å; K87-N105 PolarHBondContact O-ND2 3.01Å
88L89.6Confident85.2Confident28 Ų2845 Ų4515%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-111.2133.8171.1-61.6-174.2000110.4I66 Y67 L69 I103 T104 N105 F113I66-L88 CarbonylContact C-O 3.52Å; I66-L88 WeakPolarHBondContact CA-O 3.36Å; Y67-L88 HydrophobicContact CD2-CB 4.48Å; Y67-L88 PolarHBondContact N-O 3.44Å; Y67-L88 PolarHBondContact O-N 3.46Å; L69-L88 HydrophobicContact CD1-CD1 3.44Å; L69-L88 VanDerWaalsContact CD1-CD1 3.44Å; L69-L88 HydrophobicContact CD1-CG 3.72Å; L88-I103 HydrophobicContact CB-CG2 3.87Å; L88-I103 HydrophobicContact CD1-CG2 3.93Å; L88-I103 HydrophobicContact CG-CG2 4.35Å; L88-T104 WeakPolarHBondContact CA-O 3.41Å; L88-N105 HydrophobicContact CD2-CB 3.95Å; L88-F113 HydrophobicContact CD2-CD1 4.45Å; L88-F113 HydrophobicContact CD2-CE1 3.68Å; L88-F113 HydrophobicContact CD2-CZ 4.14Å
89H93Very high86.3Confident15 Ų1541.5 Ų41.57%0.06923%0.233CC..EExtended strand (participates in β ladder)trans-98.1114.3179.2-73.7-122.6000108.2Y64 I103 T104 P106Y64-H89 HydrophobicContact CE2-CB 3.98Å; Y64-H89 AromaticContact CE2-ND1 3.69Å; Y64-H89 AromaticContact CZ-ND1 3.6Å; Y64-H89 PolarHBondContact OH-CE1 3.47Å; Y64-H89 PolarHBondContact OH-ND1 2.95Å; H89-I103 CarbonylContact O-C 3.55Å; H89-I103 VanDerWaalsContact O-CA 3.23Å; H89-I103 WeakPolarHBondContact O-CA 3.22Å; H89-T104 PolarHBondContact N-O 3.08Å; H89-T104 PolarHBondContact O-N 3.2Å; H89-P106 HydrophobicContact CB-CG 4.27Å; H89-P106 VanDerWaalsContact CD2-CD 3.42Å; H89-P106 WeakPolarHBondContact CD2-CD 3.19Å
90E95.3Very high87.5Confident19 Ų1936.4 Ų36.49%0.08921%0.207CC..EExtended strand (participates in β ladder)trans-104.7115.7177178.7-173.196.600110.2Y64 K65 Y67 T101 I102 I103Y64-E90 CarbonylContact C-O 3.58Å; Y64-E90 VanDerWaalsContact CA-O 3.31Å; Y64-E90 WeakPolarHBondContact CA-O 3.08Å; Y64-E90 WeakPolarHBondContact CD2-O 3.14Å; K65-E90 HydrophobicContact CB-CB 4.39Å; K65-E90 PolarHBondContact N-O 2.99Å; K65-E90 IonicContact NZ-OE1 3.7Å; K65-E90 PolarHBondContact NZ-OE1 3Å; K65-E90 PolarHBondContact O-N 2.83Å; Y67-E90 HydrophobicContact CD2-CB 4.16Å; Y67-E90 HydrophobicContact CE2-CB 3.61Å; Y67-E90 HydrophobicContact CE2-CG 4.16Å; Y67-E90 WeakPolarHBondContact CE2-OE2 3.48Å; Y67-E90 VanDerWaalsContact OH-CD 3.26Å; Y67-E90 PolarHBondContact OH-OE1 3.25Å; Y67-E90 PolarHBondContact OH-OE2 3.4Å; E90-T101 HydrophobicContact CG-CG2 3.51Å; E90-I102 WeakPolarHBondContact CA-O 3.21Å; E90-I103 HydrophobicContact CB-CG1 3.97Å; E90-I103 HydrophobicContact CG-CG1 3.99Å
91Q98Very high88.8Confident65 Ų6535.2 Ų35.230%0.30420%0.202SC..EExtended strand (participates in β ladder)trans-105.8121.8166.1-69.8-179.66800108.4F62 T63 Y64 W93 T101 I102F62-Q91 HydrophobicContact CE2-CB 3.93Å; F62-Q91 HydrophobicContact CE2-CG 4.3Å; F62-Q91 HydrophobicContact CZ-CB 4.19Å; F62-Q91 HydrophobicContact CZ-CG 4.04Å; T63-Q91 WeakPolarHBondContact O-CA 3.49Å; Y64-Q91 HydrophobicContact CD2-CG 3.82Å; Y64-Q91 HydrophobicContact CE2-CG 4.22Å; Y64-Q91 HydrophobicContact CG-CG 4.24Å; Q91-W93 HydrophobicContact CB-CH2 3.56Å; Q91-W93 HydrophobicContact CB-CZ2 4.33Å; Q91-W93 HydrophobicContact CB-CZ3 3.76Å; Q91-W93 WeakPolarHBondContact O-CZ3 3.25Å; Q91-T101 CarbonylContact O-C 3.53Å; Q91-T101 WeakPolarHBondContact O-CA 3.14Å; Q91-I102 PolarHBondContact N-O 3Å; Q91-I102 PolarHBondContact O-N 2.74Å
92A98.1Very high90.1Very high9 Ų936.1 Ų36.17%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-128.4130.2-17800000111.8F62 T63 R100 T101F62-A92 CarbonylContact C-O 3.55Å; F62-A92 WeakPolarHBondContact CA-O 3.46Å; F62-A92 WeakPolarHBondContact CD2-O 3.49Å; T63-A92 PolarHBondContact N-O 3.17Å; T63-A92 PolarHBondContact O-N 3.18Å; A92-R100 CarbonylContact C-O 3.55Å; A92-R100 VanDerWaalsContact CA-O 3.25Å; A92-R100 WeakPolarHBondContact CA-O 3.46Å; A92-T101 HydrophobicContact CB-CG2 4.07Å
93W98.4Very high91.4Very high51 Ų5133.6 Ų33.619%0.19319%0.189CC..EExtended strand (participates in β ladder)trans-111.4106.5174.6-60.3-99.9000108.8F47 L52 F62 Q91 C99 R100 I102F47-W93 HydrophobicContact CE1-CB 3.87Å; F47-W93 HydrophobicContact CE1-CG 4.38Å; F47-W93 HydrophobicContact CZ-CB 4.05Å; L52-W93 HydrophobicContact CD1-CB 3.59Å; L52-W93 HydrophobicContact CD1-CG 4.35Å; L52-W93 HydrophobicContact CD2-CB 4.09Å; L52-W93 HydrophobicContact CD2-CG 3.96Å; F62-W93 AromaticContact CD2-CD1 3.66Å; F62-W93 AromaticContact CD2-CD2 3.94Å; F62-W93 HydrophobicContact CD2-CD2 3.94Å; F62-W93 AromaticContact CD2-CE2 3.58Å; F62-W93 AromaticContact CD2-CG 3.99Å; F62-W93 HydrophobicContact CD2-CG 3.99Å; F62-W93 HydrophobicContact CD2-CZ2 4.13Å; F62-W93 AromaticContact CD2-NE1 3.38Å; F62-W93 HydrophobicContact CE2-CD2 4.1Å; F62-W93 AromaticContact CE2-CE2 3.52Å; F62-W93 HydrophobicContact CE2-CH2 4.15Å; F62-W93 AromaticContact CE2-CZ2 3.57Å; F62-W93 HydrophobicContact CE2-CZ2 3.57Å; F62-W93 AromaticContact CE2-NE1 3.74Å; Q91-W93 HydrophobicContact CB-CH2 3.56Å; Q91-W93 HydrophobicContact CB-CZ2 4.33Å; Q91-W93 HydrophobicContact CB-CZ3 3.76Å; Q91-W93 WeakPolarHBondContact O-CZ3 3.25Å; W93-C99 CarbonylContact O-C 3.28Å; W93-C99 VanDerWaalsContact O-CA 3.32Å; W93-C99 WeakPolarHBondContact O-CA 3.48Å; W93-R100 HydrophobicContact CE3-CB 4.33Å; W93-R100 HydrophobicContact CE3-CG 4.21Å; W93-R100 PolarHBondContact N-O 3.28Å; W93-R100 PolarHBondContact O-N 2.87Å; W93-I102 HydrophobicContact CH2-CG1 4.37Å; W93-I102 HydrophobicContact CZ3-CB 4.14Å; W93-I102 HydrophobicContact CZ3-CG1 3.73Å
94N97.9Very high92.7Very high24 Ų2428.7 Ų28.713%0.12815%0.154CC..EExtended strand (participates in β ladder)trans-96.5100174.7-171.6-20.1000109.7G60 Q61 F96G60-N94 CarbonylContact C-O 3.57Å; G60-N94 WeakPolarHBondContact CA-O 3.38Å; Q61-N94 PolarHBondContact N-O 3.04Å; Q61-N94 PolarHBondContact O-N 3.15Å; N94-F96 PolarHBondContact OD1-N 3.44Å
95A97.8Very high94Very high6 Ų626.9 Ų26.95%0.0514%0.135CC..EExtended strand (participates in β ladder)trans-115.561.9171.700000109.2F47 L52 F57 N59 Y98F47-A95 HydrophobicContact CZ-CB 3.83Å; L52-A95 HydrophobicContact CD1-CB 4.15Å; F57-A95 HydrophobicContact CB-CB 3.72Å; F57-A95 WeakPolarHBondContact CD1-O 3.31Å; F57-A95 WeakPolarHBondContact O-CB 3.37Å; N59-A95 VanDerWaalsContact O-CB 3.22Å; N59-A95 WeakPolarHBondContact O-CB 3.5Å; A95-Y98 CarbonylContact C-O 3.57Å; A95-Y98 WeakPolarHBondContact CA-O 3.33Å; A95-Y98 PolarHBondContact N-O 3.35Å; A95-Y98 PolarHBondContact O-N 3.26Å; A95-Y98 VanDerWaalsContact O-O 3.05Å
96F98.1Very high94.8Very high43 Ų4328.9 Ų28.919%0.18915%0.147CC..THydrogen-bonded Turntrans-43.3132.6-174-167.7-95000112.4L14 Y17 K18 Q21 N94 Y98 H121L14-F96 HydrophobicContact CB-CE1 4.23Å; L14-F96 HydrophobicContact CB-CZ 4.31Å; L14-F96 HydrophobicContact CD2-CE1 4.32Å; L14-F96 HydrophobicContact CD2-CZ 3.83Å; L14-F96 WeakPolarHBondContact O-CZ 2.82Å; Y17-F96 AromaticContact CD1-CE2 3.83Å; Y17-F96 HydrophobicContact CD1-CE2 3.83Å; Y17-F96 HydrophobicContact CD1-CZ 4.27Å; Y17-F96 HydrophobicContact CE1-CE2 4.33Å; K18-F96 HydrophobicContact CB-CD1 3.89Å; K18-F96 HydrophobicContact CB-CD2 4.43Å; K18-F96 HydrophobicContact CB-CE1 3.8Å; K18-F96 HydrophobicContact CB-CE2 4.38Å; K18-F96 HydrophobicContact CB-CG 4.2Å; K18-F96 HydrophobicContact CB-CZ 4.05Å; K18-F96 HydrophobicContact CD-CD1 3.92Å; K18-F96 HydrophobicContact CD-CE1 4.41Å; K18-F96 HydrophobicContact CD-CG 4.44Å; K18-F96 HydrophobicContact CG-CB 4.35Å; K18-F96 HydrophobicContact CG-CD1 3.83Å; K18-F96 HydrophobicContact CG-CE1 4.27Å; K18-F96 HydrophobicContact CG-CG 3.96Å; Q21-F96 VanDerWaalsContact NE2-CD2 3.28Å; Q21-F96 VanDerWaalsContact NE2-CE2 3.26Å; N94-F96 PolarHBondContact OD1-N 3.44Å; F96-Y98 VanDerWaalsContact C-N 3.35Å; F96-Y98 PolarHBondContact N-O 3.08Å; F96-H121 AromaticContact CD2-ND1 3.88Å; F96-H121 HydrophobicContact CE2-CB 3.96Å; F96-H121 AromaticContact CE2-CG 3.69Å; F96-H121 AromaticContact CE2-ND1 3.49Å; F96-H121 WeakPolarHBondContact CE2-ND1 3.45Å; F96-H121 HydrophobicContact CZ-CB 4.1Å
97P98Very high95.3Very high41 Ų4133.2 Ų33.227%0.26617%0.17SC..THydrogen-bonded Turncis-82313.133.9-37.9000115.5F57 H121F57-P97 HydrophobicContact CE1-CG 4.37Å; P97-H121 HydrophobicContact CB-CB 4.17Å; P97-H121 WeakPolarHBondContact CB-O 3.35Å; P97-H121 PolarHBondContact O-N 3.18Å; P97-H121 VanDerWaalsContact O-N 3.13Å; P97-H121 PolarHBondContact O-ND1 2.67Å
98Y98.6Very high95.4Very high4 Ų433.5 Ų33.52%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-97.5142.9176.2179.6-101.9000112.1L52 V53 F57 A95 F96 R100 E118 T119 M120L52-Y98 HydrophobicContact CB-CD1 4.29Å; L52-Y98 HydrophobicContact CB-CE1 3.82Å; L52-Y98 HydrophobicContact CD1-CD1 3.93Å; L52-Y98 HydrophobicContact CD1-CE1 3.85Å; V53-Y98 HydrophobicContact CG2-CD1 4.4Å; V53-Y98 HydrophobicContact CG2-CD2 4.37Å; V53-Y98 HydrophobicContact CG2-CE1 3.87Å; V53-Y98 HydrophobicContact CG2-CE2 3.83Å; F57-Y98 HydrophobicContact CB-CD1 4.14Å; F57-Y98 VanDerWaalsContact CD1-CB 3.49Å; F57-Y98 HydrophobicContact CD1-CG 4.42Å; F57-Y98 HydrophobicContact CD2-CD1 4.04Å; F57-Y98 AromaticContact CD2-CG 3.88Å; F57-Y98 HydrophobicContact CD2-CG 3.88Å; F57-Y98 HydrophobicContact CE2-CD2 4.45Å; F57-Y98 HydrophobicContact CE2-CG 4.09Å; F57-Y98 HydrophobicContact CG-CD1 4.07Å; F57-Y98 HydrophobicContact CG-CG 4.06Å; F57-Y98 HydrophobicContact CZ-CG 4.45Å; A95-Y98 CarbonylContact C-O 3.57Å; A95-Y98 WeakPolarHBondContact CA-O 3.33Å; A95-Y98 PolarHBondContact N-O 3.35Å; A95-Y98 PolarHBondContact O-N 3.26Å; A95-Y98 VanDerWaalsContact O-O 3.05Å; F96-Y98 VanDerWaalsContact C-N 3.35Å; F96-Y98 PolarHBondContact N-O 3.08Å; Y98-R100 HydrophobicContact CE1-CB 3.77Å; Y98-R100 VanDerWaalsContact OH-CZ 3.29Å; Y98-R100 PolarHBondContact OH-NE 3.46Å; Y98-R100 PolarHBondContact OH-NH2 3.35Å; Y98-E118 HydrophobicContact CE2-CB 4.2Å; Y98-E118 WeakPolarHBondContact OH-CG 3.42Å; Y98-E118 PolarHBondContact OH-OE1 2.87Å; Y98-T119 CarbonylContact C-O 3.58Å; Y98-T119 VanDerWaalsContact CA-O 3.3Å; Y98-T119 WeakPolarHBondContact CA-O 3.36Å; Y98-T119 VanDerWaalsContact CD2-O 3.32Å; Y98-T119 WeakPolarHBondContact CD2-O 3.48Å; Y98-M120 HydrophobicContact CD2-CG 4.04Å; Y98-M120 HydrophobicContact CD2-SD 3.63Å; Y98-M120 HydrophobicContact CG-SD 4.13Å
99C98.3Very high95.3Very high14 Ų1432.9 Ų32.910%0.09517%0.166CC..EExtended strand (participates in β ladder)trans-136.8136.3168.6-1770000109.9W93 E118 T119W93-C99 CarbonylContact O-C 3.28Å; W93-C99 VanDerWaalsContact O-CA 3.32Å; W93-C99 WeakPolarHBondContact O-CA 3.48Å; C99-E118 CarbonylContact O-C 3.54Å; C99-E118 WeakPolarHBondContact O-CA 3.17Å; C99-T119 PolarHBondContact N-O 3.41Å; C99-T119 PolarHBondContact O-N 2.96Å
100R98.4Very high95.1Very high53 Ų5338 Ų3820%0.219%0.19CC..EExtended strand (participates in β ladder)trans-115.9134.6170.2179.7176-70.2156.8-0.7109L52 A92 W93 Y98 I102 V117 E118L52-R100 PolarHBondContact O-NH1 2.83Å; L52-R100 PolarHBondContact O-NH2 3.31Å; A92-R100 CarbonylContact C-O 3.55Å; A92-R100 VanDerWaalsContact CA-O 3.25Å; A92-R100 WeakPolarHBondContact CA-O 3.46Å; W93-R100 HydrophobicContact CE3-CB 4.33Å; W93-R100 HydrophobicContact CE3-CG 4.21Å; W93-R100 PolarHBondContact N-O 3.28Å; W93-R100 PolarHBondContact O-N 2.87Å; Y98-R100 HydrophobicContact CE1-CB 3.77Å; Y98-R100 VanDerWaalsContact OH-CZ 3.29Å; Y98-R100 PolarHBondContact OH-NE 3.46Å; Y98-R100 PolarHBondContact OH-NH2 3.35Å; R100-I102 HydrophobicContact CG-CD1 4.39Å; R100-I102 HydrophobicContact CG-CG1 4.35Å; R100-V117 CarbonylContact C-O 3.6Å; R100-E118 HydrophobicContact CG-CG 4.38Å; R100-E118 IonicContact CZ-OE1 2.67Å; R100-E118 IonicContact NE-OE1 3.38Å; R100-E118 IonicContact NH2-OE1 3.55Å; R100-E118 PolarHBondContact NH2-OE1 2.96Å
101T97.9Very high94.9Very high19 Ų1944.2 Ų44.212%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-131.1131.3173.6-54.40000109.3E90 Q91 A92 I103 K116 V117E90-T101 HydrophobicContact CG-CG2 3.51Å; Q91-T101 CarbonylContact O-C 3.53Å; Q91-T101 WeakPolarHBondContact O-CA 3.14Å; A92-T101 HydrophobicContact CB-CG2 4.07Å; T101-I103 HydrophobicContact CG2-CD1 4.17Å; T101-I103 HydrophobicContact CG2-CG1 4.08Å; T101-K116 CarbonylContact O-C 3.59Å; T101-K116 WeakPolarHBondContact O-CA 2.92Å; T101-V117 PolarHBondContact N-O 2.95Å; T101-V117 PolarHBondContact O-N 2.88Å
102I97.9Very high94.6Very high34 Ų3444.2 Ų44.217%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-119.5121.5178.6-60.9-62.5000107.1E90 Q91 W93 R100 T104 L114 K116E90-I102 WeakPolarHBondContact CA-O 3.21Å; Q91-I102 PolarHBondContact N-O 3Å; Q91-I102 PolarHBondContact O-N 2.74Å; W93-I102 HydrophobicContact CH2-CG1 4.37Å; W93-I102 HydrophobicContact CZ3-CB 4.14Å; W93-I102 HydrophobicContact CZ3-CG1 3.73Å; R100-I102 HydrophobicContact CG-CD1 4.39Å; R100-I102 HydrophobicContact CG-CG1 4.35Å; I102-T104 HydrophobicContact CG2-CG2 4.03Å; I102-L114 HydrophobicContact CD1-CD1 4.5Å; I102-L114 HydrophobicContact CG2-CD1 3.76Å; I102-K116 HydrophobicContact CD1-CB 3.75Å; I102-K116 HydrophobicContact CD1-CD 3.86Å; I102-K116 HydrophobicContact CD1-CG 3.58Å
103I95Very high94.3Very high10 Ų1044.2 Ų44.25%0.05122%0.22CC..EExtended strand (participates in β ladder)trans-118.9123.1178.5-63158.1000109.2L88 H89 E90 T101 F113 I115 Y232L88-I103 HydrophobicContact CB-CG2 3.87Å; L88-I103 HydrophobicContact CD1-CG2 3.93Å; L88-I103 HydrophobicContact CG-CG2 4.35Å; H89-I103 CarbonylContact O-C 3.55Å; H89-I103 VanDerWaalsContact O-CA 3.23Å; H89-I103 WeakPolarHBondContact O-CA 3.22Å; E90-I103 HydrophobicContact CB-CG1 3.97Å; E90-I103 HydrophobicContact CG-CG1 3.99Å; T101-I103 HydrophobicContact CG2-CD1 4.17Å; T101-I103 HydrophobicContact CG2-CG1 4.08Å; I103-F113 HydrophobicContact CG2-CE1 4.37Å; I103-I115 HydrophobicContact CB-CB 4.18Å; I103-I115 HydrophobicContact CG2-CD1 4.48Å; I103-I115 PolarHBondContact N-O 3.29Å; I103-I115 PolarHBondContact O-N 3.45Å; I103-Y232 WeakPolarHBondContact CD1-OH 3.44Å
104T94.4Very high94.1Very high31 Ų3144.1 Ų44.119%0.1922%0.222CC..EExtended strand (participates in β ladder)trans-130.9171.3-177.8590000111.3L88 H89 I102 L114L88-T104 WeakPolarHBondContact CA-O 3.41Å; H89-T104 PolarHBondContact N-O 3.08Å; H89-T104 PolarHBondContact O-N 3.2Å; I102-T104 HydrophobicContact CG2-CG2 4.03Å; T104-L114 HydrophobicContact CG2-CD1 4.09Å
105N91.2Very high93.9Very high1 Ų143.3 Ų43.31%0.00522%0.218CC..  trans-131.372.4173.3175.5-109.4000107.7A85 K87 L88 D107 Y108 M109 E110 F113A85-N105 PolarHBondContact O-ND2 3.35Å; K87-N105 PolarHBondContact O-ND2 3.01Å; L88-N105 HydrophobicContact CD2-CB 3.95Å; N105-D107 VanDerWaalsContact C-N 3.26Å; N105-D107 PolarHBondContact O-N 3.16Å; N105-Y108 PolarHBondContact O-N 3.41Å; N105-Y108 WeakPolarHBondContact OD1-CB 3.22Å; N105-M109 HydrophobicContact CB-CB 4.13Å; N105-M109 HydrophobicContact CB-CE 3.56Å; N105-M109 HydrophobicContact CB-CG 4.48Å; N105-M109 PolarHBondContact O-N 2.9Å; N105-M109 WeakPolarHBondContact OD1-CB 3.45Å; N105-M109 WeakPolarHBondContact OD1-CE 3.29Å; N105-M109 WeakPolarHBondContact OD1-CG 3.21Å; N105-M109 PolarHBondContact OD1-N 3.38Å; N105-E110 PolarHBondContact O-N 3.33Å; N105-F113 HydrophobicContact CB-CD1 3.81Å; N105-F113 HydrophobicContact CB-CE1 4.39Å; N105-F113 HydrophobicContact CB-CG 4.44Å
106P90.6Very high93.9Very high52 Ų5245.9 Ų45.934%0.33823%0.228SC..THydrogen-bonded Turntrans-64.5-30.4-168.426.4-34.4000112.7H89 Y108 E110H89-P106 HydrophobicContact CB-CG 4.27Å; H89-P106 VanDerWaalsContact CD2-CD 3.42Å; H89-P106 WeakPolarHBondContact CD2-CD 3.19Å; P106-Y108 VanDerWaalsContact C-N 3.27Å; P106-Y108 PolarHBondContact O-N 2.97Å; P106-E110 WeakPolarHBondContact O-CG 3.14Å
107D88.5Confident93.9Very high101 Ų10144.3 Ų44.354%0.5422%0.222SC..THydrogen-bonded Turntrans-72.5-15-175.6-62.8-16.3000114.2N105N105-D107 VanDerWaalsContact C-N 3.26Å; N105-D107 PolarHBondContact O-N 3.16Å
108Y87.5Confident93.9Very high83 Ų8343.3 Ų43.333%0.32521%0.214SC..THydrogen-bonded Turntrans-145.7-52.9-173.8-176.1-96.9000114.7L80 L81 P82 A85 N105 P106 W217L80-Y108 PolarHBondContact O-OH 3.08Å; L80-Y108 VanDerWaalsContact O-OH 3.1Å; L81-Y108 HydrophobicContact CD2-CD1 3.37Å; L81-Y108 HydrophobicContact CD2-CE1 3.46Å; L81-Y108 VanDerWaalsContact CD2-CE1 3.46Å; L81-Y108 HydrophobicContact CD2-CG 4.47Å; P82-Y108 HydrophobicContact CG-CD2 3.63Å; P82-Y108 HydrophobicContact CG-CE2 3.23Å; A85-Y108 HydrophobicContact CB-CD1 4.26Å; A85-Y108 HydrophobicContact CB-CD2 4.29Å; A85-Y108 HydrophobicContact CB-CG 3.82Å; N105-Y108 PolarHBondContact O-N 3.41Å; N105-Y108 WeakPolarHBondContact OD1-CB 3.22Å; P106-Y108 VanDerWaalsContact C-N 3.27Å; P106-Y108 PolarHBondContact O-N 2.97Å; Y108-W217 AromaticContact CE1-CH2 3.72Å; Y108-W217 HydrophobicContact CE1-CH2 3.72Å; Y108-W217 HydrophobicContact CE1-CZ2 4.19Å
109M88.2Confident94Very high15 Ų1543.3 Ų43.37%0.07421%0.214CC..THydrogen-bonded Turntrans-84-20.2179.5-65.6-175.2-89.500112.5L81 N105 E111 N112 F113 F215L81-M109 HydrophobicContact CD2-CE 4.23Å; L81-M109 HydrophobicContact CD2-CG 4.23Å; L81-M109 HydrophobicContact CD2-SD 4.25Å; N105-M109 HydrophobicContact CB-CB 4.13Å; N105-M109 HydrophobicContact CB-CE 3.56Å; N105-M109 HydrophobicContact CB-CG 4.48Å; N105-M109 PolarHBondContact O-N 2.9Å; N105-M109 WeakPolarHBondContact OD1-CB 3.45Å; N105-M109 WeakPolarHBondContact OD1-CE 3.29Å; N105-M109 WeakPolarHBondContact OD1-CG 3.21Å; N105-M109 PolarHBondContact OD1-N 3.38Å; M109-E111 PolarHBondContact O-N 2.97Å; M109-N112 WeakPolarHBondContact O-CA 3.47Å; M109-N112 WeakPolarHBondContact O-CB 3.23Å; M109-N112 PolarHBondContact O-N 2.8Å; M109-N112 PolarHBondContact O-ND2 2.93Å; M109-F113 HydrophobicContact CB-CB 3.43Å; M109-F113 VanDerWaalsContact CB-CB 3.43Å; M109-F113 HydrophobicContact CB-CG 4.42Å; M109-F113 HydrophobicContact CE-CB 4.15Å; M109-F113 HydrophobicContact CE-CD1 4.15Å; M109-F113 HydrophobicContact CE-CD2 3.98Å; M109-F113 HydrophobicContact CE-CE2 4.39Å; M109-F113 HydrophobicContact CE-CG 3.82Å; M109-F113 HydrophobicContact CG-CB 4.14Å; M109-F113 HydrophobicContact SD-CB 3.73Å; M109-F113 HydrophobicContact SD-CD2 3.94Å; M109-F113 HydrophobicContact SD-CG 3.92Å; M109-F215 HydrophobicContact SD-CD2 4.5Å; M109-F215 HydrophobicContact SD-CE2 3.7Å; M109-F215 HydrophobicContact SD-CZ 4.21Å
110E89.7Confident94Very high123 Ų12343.8 Ų43.858%0.57522%0.216SC*.G310 helixtrans49.5-126.9177.9-61.7175.7-164.400111N105 P106 N112 F113N105-E110 PolarHBondContact O-N 3.33Å; P106-E110 WeakPolarHBondContact O-CG 3.14Å; E110-N112 PolarHBondContact O-N 3.08Å; E110-F113 PolarHBondContact O-N 2.77Å
111E91.4Very high94Very high150 Ų15041.3 Ų41.370%0.70121%0.206SC*.G310 helixtrans-69.6-11.2177.362.4-165.6-149.200115M109 F113 Q214M109-E111 PolarHBondContact O-N 2.97Å; E111-F113 PolarHBondContact O-N 3.43Å; E111-Q214 PolarHBondContact O-NE2 3.19Å
112N90.7Very high94Very high64 Ų6442.5 Ų42.534%0.34221%0.212SC..G310 helixtrans-79.7-6.9178.4-58.8-59.8000112.8M109 E110 F215 K216M109-N112 WeakPolarHBondContact O-CA 3.47Å; M109-N112 WeakPolarHBondContact O-CB 3.23Å; M109-N112 PolarHBondContact O-N 2.8Å; M109-N112 PolarHBondContact O-ND2 2.93Å; E110-N112 PolarHBondContact O-N 3.08Å; N112-F215 CarbonylContact O-C 3.5Å; N112-F215 WeakPolarHBondContact O-CA 3.25Å; N112-K216 HydrophobicContact CB-CB 4.09Å; N112-K216 PolarHBondContact O-N 2.94Å; N112-K216 PolarHBondContact OD1-O 3.11Å
113F91.3Very high94Very high10 Ų1045.5 Ų45.54%0.04423%0.231CC..EExtended strand (participates in β ladder)trans-135120178.5-179.5-99.4000112.8L88 I103 N105 M109 E110 E111 I115 Q214 F215 I228L88-F113 HydrophobicContact CD2-CD1 4.45Å; L88-F113 HydrophobicContact CD2-CE1 3.68Å; L88-F113 HydrophobicContact CD2-CZ 4.14Å; I103-F113 HydrophobicContact CG2-CE1 4.37Å; N105-F113 HydrophobicContact CB-CD1 3.81Å; N105-F113 HydrophobicContact CB-CE1 4.39Å; N105-F113 HydrophobicContact CB-CG 4.44Å; M109-F113 HydrophobicContact CB-CB 3.43Å; M109-F113 VanDerWaalsContact CB-CB 3.43Å; M109-F113 HydrophobicContact CB-CG 4.42Å; M109-F113 HydrophobicContact CE-CB 4.15Å; M109-F113 HydrophobicContact CE-CD1 4.15Å; M109-F113 HydrophobicContact CE-CD2 3.98Å; M109-F113 HydrophobicContact CE-CE2 4.39Å; M109-F113 HydrophobicContact CE-CG 3.82Å; M109-F113 HydrophobicContact CG-CB 4.14Å; M109-F113 HydrophobicContact SD-CB 3.73Å; M109-F113 HydrophobicContact SD-CD2 3.94Å; M109-F113 HydrophobicContact SD-CG 3.92Å; E110-F113 PolarHBondContact O-N 2.77Å; E111-F113 PolarHBondContact O-N 3.43Å; F113-I115 HydrophobicContact CE1-CD1 4.2Å; F113-I115 HydrophobicContact CE1-CG1 4.41Å; F113-I115 HydrophobicContact CE2-CD1 4.11Å; F113-I115 HydrophobicContact CE2-CG1 4.25Å; F113-I115 HydrophobicContact CZ-CD1 3.44Å; F113-I115 VanDerWaalsContact CZ-CD1 3.44Å; F113-I115 HydrophobicContact CZ-CG1 3.84Å; F113-Q214 WeakPolarHBondContact CA-O 3.31Å; F113-F215 AromaticContact CD2-CD2 3.67Å; F113-F215 HydrophobicContact CD2-CD2 3.67Å; F113-F215 HydrophobicContact CD2-CE2 4.1Å; F113-F215 HydrophobicContact CE2-CD2 4.15Å; F113-I228 HydrophobicContact CE2-CD1 3.79Å
114L93.9Very high94.2Very high48 Ų4845.9 Ų45.925%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-143.8130.6173.6172.469.9000109.7I102 T104 Q214I102-L114 HydrophobicContact CD1-CD1 4.5Å; I102-L114 HydrophobicContact CG2-CD1 3.76Å; T104-L114 HydrophobicContact CG2-CD1 4.09Å; L114-Q214 HydrophobicContact CB-CB 4.25Å; L114-Q214 PolarHBondContact N-O 3.14Å; L114-Q214 PolarHBondContact O-N 3.08Å
115I95.1Very high94.3Very high7 Ų746.8 Ų46.84%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-116.6125.4160.1-56.5161.3000107.5I103 F113 V117 V211 T212 V213 I228 Y232I103-I115 HydrophobicContact CB-CB 4.18Å; I103-I115 HydrophobicContact CG2-CD1 4.48Å; I103-I115 PolarHBondContact N-O 3.29Å; I103-I115 PolarHBondContact O-N 3.45Å; F113-I115 HydrophobicContact CE1-CD1 4.2Å; F113-I115 HydrophobicContact CE1-CG1 4.41Å; F113-I115 HydrophobicContact CE2-CD1 4.11Å; F113-I115 HydrophobicContact CE2-CG1 4.25Å; F113-I115 HydrophobicContact CZ-CD1 3.44Å; F113-I115 VanDerWaalsContact CZ-CD1 3.44Å; F113-I115 HydrophobicContact CZ-CG1 3.84Å; I115-V117 HydrophobicContact CG2-CG2 4.11Å; I115-V211 HydrophobicContact CG2-CG1 4.23Å; I115-T212 CarbonylContact C-O 3.48Å; I115-T212 WeakPolarHBondContact CA-O 3.26Å; I115-V213 HydrophobicContact CG1-CG1 4.23Å; I115-V213 HydrophobicContact CG1-CG2 4.45Å; I115-V213 HydrophobicContact CG2-CG2 4.49Å; I115-I228 HydrophobicContact CD1-CD1 4.38Å; I115-I228 HydrophobicContact CD1-CG2 3.65Å; I115-I228 HydrophobicContact CG1-CG2 4.07Å; I115-Y232 HydrophobicContact CD1-CE2 4.2Å; I115-Y232 HydrophobicContact CG2-CE2 3.68Å; I115-Y232 WeakPolarHBondContact CG2-OH 3.44Å
116K97.6Very high94.5Very high60 Ų6047.4 Ų47.426%0.26124%0.24SC..EExtended strand (participates in β ladder)trans-114.5126.1171174.2175.166.9148.90108.7T101 I102 E118 V211 T212T101-K116 CarbonylContact O-C 3.59Å; T101-K116 WeakPolarHBondContact O-CA 2.92Å; I102-K116 HydrophobicContact CD1-CB 3.75Å; I102-K116 HydrophobicContact CD1-CD 3.86Å; I102-K116 HydrophobicContact CD1-CG 3.58Å; K116-E118 HydrophobicContact CD-CG 4.06Å; K116-E118 WeakPolarHBondContact CD-OE2 3.46Å; K116-E118 WeakPolarHBondContact CE-OE2 3.22Å; K116-E118 HydrophobicContact CG-CG 3.94Å; K116-E118 IonicContact NZ-OE2 3.88Å; K116-E118 PolarHBondContact NZ-OE2 3.14Å; K116-V211 WeakPolarHBondContact O-CA 3.17Å; K116-T212 PolarHBondContact N-O 2.88Å; K116-T212 PolarHBondContact O-N 3.14Å
117V98.3Very high94.8Very high10 Ų1050 Ų506%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-115.8113.8172.6-172.90000108.1R100 T101 I115 L210 V211 Y232 F236R100-V117 CarbonylContact C-O 3.6Å; T101-V117 PolarHBondContact N-O 2.95Å; T101-V117 PolarHBondContact O-N 2.88Å; I115-V117 HydrophobicContact CG2-CG2 4.11Å; V117-L210 CarbonylContact C-O 3.5Å; V117-L210 VanDerWaalsContact CA-O 3.31Å; V117-L210 WeakPolarHBondContact CA-O 3.12Å; V117-V211 HydrophobicContact CG1-CG2 4.27Å; V117-V211 HydrophobicContact CG2-CG1 4.42Å; V117-V211 HydrophobicContact CG2-CG2 4.22Å; V117-Y232 HydrophobicContact CG2-CE1 3.79Å; V117-F236 HydrophobicContact CG1-CZ 4.11Å
118E98.5Very high95.3Very high20 Ų2047.7 Ų47.79%0.09324%0.244CC..EExtended strand (participates in β ladder)trans-108.1130.6173.1-65.9-179.195.200108Y98 C99 R100 K116 H132 L210Y98-E118 HydrophobicContact CE2-CB 4.2Å; Y98-E118 WeakPolarHBondContact OH-CG 3.42Å; Y98-E118 PolarHBondContact OH-OE1 2.87Å; C99-E118 CarbonylContact O-C 3.54Å; C99-E118 WeakPolarHBondContact O-CA 3.17Å; R100-E118 HydrophobicContact CG-CG 4.38Å; R100-E118 IonicContact CZ-OE1 2.67Å; R100-E118 IonicContact NE-OE1 3.38Å; R100-E118 IonicContact NH2-OE1 3.55Å; R100-E118 PolarHBondContact NH2-OE1 2.96Å; K116-E118 HydrophobicContact CD-CG 4.06Å; K116-E118 WeakPolarHBondContact CD-OE2 3.46Å; K116-E118 WeakPolarHBondContact CE-OE2 3.22Å; K116-E118 HydrophobicContact CG-CG 3.94Å; K116-E118 IonicContact NZ-OE2 3.88Å; K116-E118 PolarHBondContact NZ-OE2 3.14Å; E118-H132 PolarHBondContact O-CE1 3.35Å; E118-L210 HydrophobicContact CB-CB 4.48Å; E118-L210 PolarHBondContact N-O 3Å; E118-L210 PolarHBondContact O-N 2.96Å
119T98.7Very high95.8Very high5 Ų551 Ų513%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-124134-178.1-52.20000110.9Y98 C99 H121 Y208 K209Y98-T119 CarbonylContact C-O 3.58Å; Y98-T119 VanDerWaalsContact CA-O 3.3Å; Y98-T119 WeakPolarHBondContact CA-O 3.36Å; Y98-T119 VanDerWaalsContact CD2-O 3.32Å; Y98-T119 WeakPolarHBondContact CD2-O 3.48Å; C99-T119 PolarHBondContact N-O 3.41Å; C99-T119 PolarHBondContact O-N 2.96Å; T119-H121 WeakPolarHBondContact CG2-CE1 3.49Å; T119-H121 WeakPolarHBondContact CG2-NE2 3.5Å; T119-Y208 CarbonylContact C-O 3.59Å; T119-Y208 WeakPolarHBondContact CA-O 3.37Å; T119-Y208 WeakPolarHBondContact CG2-O 3.01Å; T119-K209 HydrophobicContact CG2-CG 3.71Å
120M98.7Very high96.2Very high24 Ų2452.4 Ų52.412%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-118.4140.1165.2-81-64-67.500109.6F57 Y98 L122 H132 Y208F57-M120 HydrophobicContact CE2-SD 4.38Å; F57-M120 HydrophobicContact CZ-CE 4.12Å; F57-M120 HydrophobicContact CZ-SD 3.91Å; Y98-M120 HydrophobicContact CD2-CG 4.04Å; Y98-M120 HydrophobicContact CD2-SD 3.63Å; Y98-M120 HydrophobicContact CG-SD 4.13Å; M120-L122 HydrophobicContact CE-CD2 4.01Å; M120-H132 PolarHBondContact N-CE1 3.49Å; M120-Y208 PolarHBondContact N-O 3.45Å; M120-Y208 PolarHBondContact O-N 3.16Å
121H98.8Very high96.6Very high1 Ų147 Ų471%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-115.1120.9176.2-5290000108.7L14 Y17 F96 P97 T119 C207L14-H121 HydrophobicContact CD2-CB 3.64Å; Y17-H121 AromaticContact CD1-CD2 3.7Å; Y17-H121 AromaticContact CE1-CD2 3.13Å; Y17-H121 WeakPolarHBondContact CE1-CD2 3.12Å; Y17-H121 AromaticContact CE1-CE1 3.84Å; Y17-H121 AromaticContact CE1-CG 3.97Å; Y17-H121 AromaticContact CE1-NE2 3.06Å; Y17-H121 WeakPolarHBondContact CE1-NE2 3.35Å; Y17-H121 AromaticContact CZ-CD2 3.71Å; Y17-H121 AromaticContact CZ-NE2 3.57Å; Y17-H121 PolarHBondContact OH-NE2 2.91Å; F96-H121 AromaticContact CD2-ND1 3.88Å; F96-H121 HydrophobicContact CE2-CB 3.96Å; F96-H121 AromaticContact CE2-CG 3.69Å; F96-H121 AromaticContact CE2-ND1 3.49Å; F96-H121 WeakPolarHBondContact CE2-ND1 3.45Å; F96-H121 HydrophobicContact CZ-CB 4.1Å; P97-H121 HydrophobicContact CB-CB 4.17Å; P97-H121 WeakPolarHBondContact CB-O 3.35Å; P97-H121 PolarHBondContact O-N 3.18Å; P97-H121 VanDerWaalsContact O-N 3.13Å; P97-H121 PolarHBondContact O-ND1 2.67Å; T119-H121 WeakPolarHBondContact CG2-CE1 3.49Å; T119-H121 WeakPolarHBondContact CG2-NE2 3.5Å; H121-C207 VanDerWaalsContact CD2-SG 3.58Å
122L98.6Very high96.9Very high44 Ų4441 Ų4123%0.2322%0.219CC..EExtended strand (participates in β ladder)trans-129.8152.6-175.3-58175.8000110.6M120 D124 T128 A131 I205 C206 Y208M120-L122 HydrophobicContact CE-CD2 4.01Å; L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3.34Å; L122-D124 VanDerWaalsContact O-N 3.09Å; L122-T128 HydrophobicContact CD1-CG2 3.96Å; L122-A131 HydrophobicContact CD1-CB 3.94Å; L122-I205 CarbonylContact O-C 3.34Å; L122-I205 VanDerWaalsContact O-CA 3.29Å; L122-I205 WeakPolarHBondContact O-CA 3.25Å; L122-I205 WeakPolarHBondContact O-CB 3.31Å; L122-C206 PolarHBondContact N-O 3.41Å; L122-C206 VanDerWaalsContact N-O 3.08Å; L122-C206 PolarHBondContact O-N 3.37Å; L122-Y208 HydrophobicContact CB-CD2 4.49Å; L122-Y208 HydrophobicContact CB-CE2 4.04Å; L122-Y208 HydrophobicContact CD1-CD2 4.12Å; L122-Y208 HydrophobicContact CD1-CE2 3.83Å; L122-Y208 HydrophobicContact CG-CD2 4.3Å; L122-Y208 HydrophobicContact CG-CE2 4.19Å
123V98.3Very high97.2Very high97 Ų9744 Ų4459%0.58824%0.235SC*.SBendtrans-84.373.7175.1-171.10000109.4L14 Y204 I205L14-V123 HydrophobicContact CD1-CG2 3.49Å; L14-V123 VanDerWaalsContact CD1-CG2 3.49Å; L14-V123 HydrophobicContact CG-CG2 3.81Å; V123-Y204 HydrophobicContact CG1-CE2 4.33Å; V123-I205 HydrophobicContact CG2-CG2 4.43Å
124D97.5Very high97.5Very high17 Ų1744.9 Ų44.99%0.09124%0.24CC..SBendtrans-152.2-176.2174.172.818.8000111.2L122 G126 T128 I205 C206 Y208L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3.34Å; L122-D124 VanDerWaalsContact O-N 3.09Å; D124-G126 PolarHBondContact OD1-N 3.46Å; D124-T128 WeakPolarHBondContact OD2-CB 3.36Å; D124-T128 PolarHBondContact OD2-N 2.92Å; D124-T128 PolarHBondContact OD2-OG1 2.8Å; D124-I205 CarbonylContact O-C 3.48Å; D124-C206 PolarHBondContact O-N 3.1Å; D124-C206 VanDerWaalsContact OD1-CB 3.22Å; D124-C206 WeakPolarHBondContact OD1-CB 3.29Å; D124-Y208 WeakPolarHBondContact OD1-CE2 3.08Å; D124-Y208 PolarHBondContact OD1-OH 3.34Å; D124-Y208 PolarHBondContact OD2-OH 3.02Å
125R96.4Very high97.6Very high51 Ų5146 Ų4619%0.19225%0.252CS..SBendtrans-102.633.7178.8-63-165.5179.7-66-3.8113.3V9 F198 N199 C201 Y204V9-R125 HydrophobicContact CG2-CB 4.42Å; R125-F198 HydrophobicContact CB-CE1 4.1Å; R125-F198 WeakPolarHBondContact CD-O 3.22Å; R125-F198 VanDerWaalsContact CZ-O 3.26Å; R125-F198 PolarHBondContact NH1-O 3.17Å; R125-F198 WeakPolarHBondContact O-CZ 3.45Å; R125-N199 PolarHBondContact NE-O 3.39Å; R125-N199 PolarHBondContact NH2-O 3.49Å; R125-N199 VanDerWaalsContact NH2-O 3.16Å; R125-C201 PolarHBondContact NH1-SG 2.99Å; R125-C201 PolarHBondContact NH2-O 3.45Å; R125-Y204 HydrophobicContact CG-CD2 4.11Å; R125-Y204 HydrophobicContact CG-CE2 4.4Å
126G96.8Very high97.8Very high13 Ų1354 Ų5413%0.13429%0.289CS..SBendtrans78.426.6-17600000112.7R7 D124 C206 Y208R7-G126 WeakPolarHBondContact CD-O 3.46Å; R7-G126 PolarHBondContact NH1-O 3Å; D124-G126 PolarHBondContact OD1-N 3.46Å; G126-C206 WeakPolarHBondContact CA-SG 3.46Å; G126-Y208 WeakPolarHBondContact CA-OH 3.38Å
127T97Very high97.7Very high108 Ų10858.4 Ų58.466%0.66331%0.311SS*.  trans-95.8-17.6-175.850.10000114E129 Y208T127-E129 PolarHBondContact O-N 3.04Å; T127-Y208 PolarHBondContact N-OH 3.13Å
128T98.3Very high97.7Very high52 Ų5258.8 Ų58.832%0.31932%0.315SS..  trans-65.1118.2176.8-63.70000110.5R7 L122 D124 A131 Y208R7-T128 PolarHBondContact NH1-O 2.72Å; R7-T128 PolarHBondContact NH2-O 2.91Å; L122-T128 HydrophobicContact CD1-CG2 3.96Å; D124-T128 WeakPolarHBondContact OD2-CB 3.36Å; D124-T128 PolarHBondContact OD2-N 2.92Å; D124-T128 PolarHBondContact OD2-OG1 2.8Å; T128-A131 HydrophobicContact CG2-CB 3.91Å; T128-Y208 WeakPolarHBondContact CB-OH 3.33Å; T128-Y208 PolarHBondContact N-OH 3.45Å; T128-Y208 WeakPolarHBondContact O-CE1 3.39Å
129E97.7Very high97.6Very high151 Ų15160.3 Ų60.371%0.70632%0.323SS*.THydrogen-bonded Turntrans-69.3-43.7-173.1-172.6177.2-178.800113R7 T127 R142R7-E129 PolarHBondContact NH2-O 2.95Å; T127-E129 PolarHBondContact O-N 3.04Å; E129-R142 VanDerWaalsContact O-CZ 3.31Å; E129-R142 PolarHBondContact O-NH1 3.11Å; E129-R142 PolarHBondContact O-NH2 3Å
130N97.8Very high97.6Very high46 Ų4664.5 Ų64.525%0.24635%0.353CS..THydrogen-bonded Turntrans-126.458.6-176.3-166.89.3000112.1H132 N133 L134 L139N130-H132 PolarHBondContact O-N 3.18Å; N130-N133 PolarHBondContact O-N 2.84Å; N130-N133 PolarHBondContact OD1-N 2.81Å; N130-L134 PolarHBondContact ND2-N 3.49Å; N130-L134 PolarHBondContact ND2-O 2.85Å; N130-L134 VanDerWaalsContact ND2-O 3.1Å; N130-L134 PolarHBondContact OD1-N 2.95Å; N130-L139 HydrophobicContact CB-CD2 4.46Å
131A98.1Very high97.4Very high10 Ų1067.4 Ų67.48%0.08337%0.368CS..THydrogen-bonded Turntrans-57.3-22.2-175.700000114.3L122 T128 Y208L122-A131 HydrophobicContact CD1-CB 3.94Å; T128-A131 HydrophobicContact CG2-CB 3.91Å; A131-Y208 HydrophobicContact CB-CD1 3.61Å; A131-Y208 HydrophobicContact CB-CD2 4.05Å; A131-Y208 HydrophobicContact CB-CE1 4.05Å; A131-Y208 HydrophobicContact CB-CE2 4.46Å; A131-Y208 HydrophobicContact CB-CG 3.6Å
132H97.9Very high97.4Very high23 Ų2369 Ų6911%0.10637%0.374CS..THydrogen-bonded Turntrans-103.13.6-178.5-64.5-78.3000114.3E5 E118 M120 N130 L134 Y208 L210E5-H132 IonicContact OE2-CD2 3.59Å; E118-H132 PolarHBondContact O-CE1 3.35Å; M120-H132 PolarHBondContact N-CE1 3.49Å; N130-H132 PolarHBondContact O-N 3.18Å; H132-L134 VanDerWaalsContact C-N 3.28Å; H132-L134 HydrophobicContact CB-CD2 3.99Å; H132-L134 HydrophobicContact CB-CG 3.97Å; H132-L134 PolarHBondContact O-N 3.1Å; H132-Y208 PolarHBondContact CE1-O 2.94Å; H132-Y208 PolarHBondContact NE2-O 3.22Å; H132-L210 HydrophobicContact CB-CD2 4.3Å
133N96.3Very high97.3Very high126 Ų12673.6 Ų73.667%0.67439%0.392SS*.  trans50.646.8-174.5-59.6-45.1000112.9N130N130-N133 PolarHBondContact O-N 2.84Å; N130-N133 PolarHBondContact OD1-N 2.81Å
134L97.4Very high97.3Very high30 Ų3072.3 Ų72.316%0.15738%0.381CS..  trans-66.8148.8177.1-60.6177.8000111.3L3 N130 H132 A138 L139 L210L3-L134 HydrophobicContact CD2-CD1 4.47Å; N130-L134 PolarHBondContact ND2-N 3.49Å; N130-L134 PolarHBondContact ND2-O 2.85Å; N130-L134 VanDerWaalsContact ND2-O 3.1Å; N130-L134 PolarHBondContact OD1-N 2.95Å; H132-L134 VanDerWaalsContact C-N 3.28Å; H132-L134 HydrophobicContact CB-CD2 3.99Å; H132-L134 HydrophobicContact CB-CG 3.97Å; H132-L134 PolarHBondContact O-N 3.1Å; L134-A138 HydrophobicContact CB-CB 4.05Å; L134-A138 HydrophobicContact CD2-CB 4.45Å; L134-L139 HydrophobicContact CB-CD2 3.98Å; L134-L139 HydrophobicContact CB-CG 3.9Å; L134-L139 HydrophobicContact CD1-CD2 4.22Å; L134-L210 HydrophobicContact CD1-CD1 4.09Å; L134-L210 HydrophobicContact CD1-CD2 4.01Å; L134-L210 HydrophobicContact CD2-CD2 3.54Å; L134-L210 HydrophobicContact CG-CD2 4.3Å
135S96.8Very high97.3Very high71 Ų7173.2 Ų73.250%0.49739%0.385SS..  trans-64.8160.816963.10000111.4E137 A138 L139S135-E137 VanDerWaalsContact C-N 3.27Å; S135-E137 PolarHBondContact O-N 3.34Å; S135-A138 PolarHBondContact O-N 3.41Å; S135-A138 VanDerWaalsContact O-N 3.13Å; S135-A138 PolarHBondContact OG-N 3.07Å; S135-L139 WeakPolarHBondContact O-CG 3.35Å; S135-L139 PolarHBondContact O-N 3.28Å
136E97.7Very high97.3Very high175 Ų17574.8 Ų74.882%0.81840%0.401SS*.Hα-helixtrans-56.2-41.2176.2-65.4-178.6176.400112.4L139 S140E136-L139 PolarHBondContact O-N 3.13Å; E136-S140 WeakPolarHBondContact O-CB 3.44Å; E136-S140 PolarHBondContact O-N 2.75Å
137E97Very high97.2Very high153 Ų15374.2 Ų74.272%0.71539%0.394SS*.Hα-helixtrans-59.2-49.8175-174-171.5173.600111.4S135 L139 S140 I141S135-E137 VanDerWaalsContact C-N 3.27Å; S135-E137 PolarHBondContact O-N 3.34Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.45Å; E137-S140 PolarHBondContact O-N 2.73Å; E137-S140 PolarHBondContact O-OG 3.34Å; E137-I141 PolarHBondContact O-N 3.23Å
138A96.9Very high97.1Very high18 Ų1870.4 Ų70.415%0.14937%0.37CS..Hα-helixtrans-65.7-37.9179.300000111.9L3 L134 S135 S140 I141 R142L3-A138 HydrophobicContact CD2-CB 4.19Å; L3-A138 WeakPolarHBondContact CD2-O 3.49Å; L134-A138 HydrophobicContact CB-CB 4.05Å; L134-A138 HydrophobicContact CD2-CB 4.45Å; S135-A138 PolarHBondContact O-N 3.41Å; S135-A138 VanDerWaalsContact O-N 3.13Å; S135-A138 PolarHBondContact OG-N 3.07Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-I141 WeakPolarHBondContact O-CG1 3.47Å; A138-I141 PolarHBondContact O-N 3.49Å; A138-R142 WeakPolarHBondContact O-CB 3.43Å; A138-R142 PolarHBondContact O-N 2.99Å; A138-R142 VanDerWaalsContact O-N 3.1Å
139L97.9Very high96.9Very high51 Ų5167.9 Ų67.927%0.26736%0.355SS..Hα-helixtrans-61.8-41.3173.4-73.4172.3000111.6N130 L134 S135 E136 E137 I141 R142N130-L139 HydrophobicContact CB-CD2 4.46Å; L134-L139 HydrophobicContact CB-CD2 3.98Å; L134-L139 HydrophobicContact CB-CG 3.9Å; L134-L139 HydrophobicContact CD1-CD2 4.22Å; S135-L139 WeakPolarHBondContact O-CG 3.35Å; S135-L139 PolarHBondContact O-N 3.28Å; E136-L139 PolarHBondContact O-N 3.13Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.45Å; L139-I141 VanDerWaalsContact C-N 3.26Å; L139-I141 PolarHBondContact O-N 3Å; L139-R142 VanDerWaalsContact CD2-CZ 3.47Å; L139-R142 WeakPolarHBondContact O-CB 3.28Å; L139-R142 PolarHBondContact O-N 3.32Å
140S97.1Very high96.7Very high93 Ų9360.7 Ų60.765%0.6532%0.321SS*.Hα-helixtrans-62.7-30.3-177.678.20000113.6E136 E137 A138E136-S140 WeakPolarHBondContact O-CB 3.44Å; E136-S140 PolarHBondContact O-N 2.75Å; E137-S140 PolarHBondContact O-N 2.73Å; E137-S140 PolarHBondContact O-OG 3.34Å; A138-S140 VanDerWaalsContact C-N 3.34Å
141I96.2Very high96.4Very high85 Ų8561.8 Ų61.844%0.43633%0.327SS..Hα-helixtrans-99-9.3178.666.8169.4000113.6M1 L3 E137 A138 L139 K143M1-I141 HydrophobicContact CE-CD1 3.63Å; L3-I141 HydrophobicContact CB-CD1 4.33Å; L3-I141 HydrophobicContact CB-CG1 4.35Å; L3-I141 HydrophobicContact CD2-CG1 4.23Å; E137-I141 PolarHBondContact O-N 3.23Å; A138-I141 WeakPolarHBondContact O-CG1 3.47Å; A138-I141 PolarHBondContact O-N 3.49Å; L139-I141 VanDerWaalsContact C-N 3.26Å; L139-I141 PolarHBondContact O-N 3Å; I141-K143 PolarHBondContact O-N 2.79Å
142R97.5Very high96Very high36 Ų3663.2 Ų63.214%0.13633%0.333CS..  trans-69.2129.1-178.1178.5-17465.5166.9-3.6110.1L3 E5 E129 A138 L139 L210L3-R142 HydrophobicContact CD2-CB 4.06Å; L3-R142 HydrophobicContact CG-CB 4.49Å; E5-R142 HydrophobicContact CB-CG 4.07Å; E5-R142 IonicContact OE1-NH1 2.75Å; E5-R142 PolarHBondContact OE1-NH1 2.73Å; E5-R142 WeakPolarHBondContact OE2-CD 3.49Å; E5-R142 IonicContact OE2-CZ 3.3Å; E5-R142 IonicContact OE2-NE 2.75Å; E5-R142 IonicContact OE2-NH1 3.43Å; E5-R142 PolarHBondContact OE2-NH1 3.16Å; E129-R142 VanDerWaalsContact O-CZ 3.31Å; E129-R142 PolarHBondContact O-NH1 3.11Å; E129-R142 PolarHBondContact O-NH2 3Å; A138-R142 WeakPolarHBondContact O-CB 3.43Å; A138-R142 PolarHBondContact O-N 2.99Å; A138-R142 VanDerWaalsContact O-N 3.1Å; L139-R142 VanDerWaalsContact CD2-CZ 3.47Å; L139-R142 WeakPolarHBondContact O-CB 3.28Å; L139-R142 PolarHBondContact O-N 3.32Å; R142-L210 HydrophobicContact CG-CD1 4.46Å
143K97.7Very high95.1Very high139 Ų13966.8 Ų66.860%0.60436%0.358SS*.EExtended strand (participates in β ladder)trans-105.4124166.5-174.5170.7-177.8170.30111.5L3 R4 E5 I141L3-K143 PolarHBondContact O-N 3.26Å; R4-K143 CarbonylContact C-O 3.49Å; R4-K143 WeakPolarHBondContact CA-O 3.4Å; E5-K143 PolarHBondContact N-O 3.14Å; I141-K143 PolarHBondContact O-N 2.79Å
144I98.1Very high93.7Very high71 Ų7163.3 Ų63.336%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-82.4137.3174.1-63.2167.3000109.9E5 R7E5-I144 HydrophobicContact CB-CG1 4.46Å; E5-I144 CarbonylContact O-C 3.53Å; E5-I144 WeakPolarHBondContact O-CA 3.35Å; R7-I144 HydrophobicContact CG-CG2 4.25Å
145I97.3Very high92Very high35 Ų3564.8 Ų64.818%0.17935%0.348CS..EExtended strand (participates in β ladder)trans-130.6117.1173.5-61.2175.9000107.6R4 E5 Y6 R7 I147R4-I145 HydrophobicContact CB-CD1 4.49Å; R4-I145 HydrophobicContact CG-CD1 4.48Å; E5-I145 PolarHBondContact O-N 2.84Å; Y6-I145 CarbonylContact C-O 3.59Å; Y6-I145 WeakPolarHBondContact CA-O 3.49Å; Y6-I145 HydrophobicContact CD1-CB 3.78Å; Y6-I145 HydrophobicContact CD1-CD1 4.21Å; Y6-I145 HydrophobicContact CD1-CG2 3.82Å; Y6-I145 HydrophobicContact CE1-CB 4.03Å; Y6-I145 HydrophobicContact CE1-CD1 3.56Å; Y6-I145 HydrophobicContact CE1-CG1 4.36Å; Y6-I145 HydrophobicContact CE1-CG2 4.02Å; R7-I145 PolarHBondContact N-O 2.89Å; I145-I147 HydrophobicContact CG2-CG1 4.42Å
146V96.5Very high89.7Confident85 Ų8571.6 Ų71.652%0.51537%0.369SS..EExtended strand (participates in β ladder)trans-86.3132.1170.9-178.20000108R7 F198R7-V146 HydrophobicContact CB-CG2 4.48Å; V146-F198 HydrophobicContact CG1-CE2 4.28Å
147I94.9Very high87.2Confident0 Ų071.4 Ų71.40%037%0.365CS..EExtended strand (participates in β ladder)trans-108.5119.1173.8-62.5178.3000108Y6 R7 I8 I145 I149 F236 R237Y6-I147 HydrophobicContact CD1-CD1 3.77Å; Y6-I147 HydrophobicContact CD1-CG1 4.24Å; Y6-I147 HydrophobicContact CG-CD1 4.38Å; R7-I147 PolarHBondContact O-N 2.75Å; I8-I147 HydrophobicContact CG1-CB 3.94Å; I8-I147 HydrophobicContact CG1-CD1 4.04Å; I8-I147 HydrophobicContact CG1-CG1 4.35Å; I145-I147 HydrophobicContact CG2-CG1 4.42Å; I147-I149 HydrophobicContact CG2-CG2 4.46Å; I147-F236 HydrophobicContact CD1-CB 3.77Å; I147-R237 HydrophobicContact CG2-CB 3.72Å; I147-R237 HydrophobicContact CG2-CG 3.84Å
148D94.4Very high84.6Confident28 Ų2868.3 Ų68.315%0.1535%0.35CS..  trans-93.8106.9170-173.1-35.1000109.1A150 N151 D152 W197D148-A150 PolarHBondContact O-N 3.3Å; D148-A150 WeakPolarHBondContact OD1-CA 3.45Å; D148-A150 PolarHBondContact OD1-N 3.02Å; D148-N151 HydrophobicContact CB-CB 4.35Å; D148-N151 PolarHBondContact OD1-N 2.75Å; D148-N151 WeakPolarHBondContact OD2-CB 3.41Å; D148-N151 PolarHBondContact OD2-ND2 2.97Å; D148-D152 PolarHBondContact N-OD2 2.96Å; D148-D152 VanDerWaalsContact N-OD2 3.13Å; D148-D152 WeakPolarHBondContact O-CB 3.3Å; D148-D152 PolarHBondContact O-N 3.39Å; D148-W197 VanDerWaalsContact OD1-CZ2 3.29Å; D148-W197 WeakPolarHBondContact OD1-CZ2 3.48Å; D148-W197 PolarHBondContact OD1-NE1 2.96Å; D148-W197 PolarHBondContact OD2-NE1 3.22Å
149I94.2Very high82Confident0 Ų070.1 Ų70.10%036%0.357CS..THydrogen-bonded Turntrans-64-24.1-177.457.9159.5000113.3I8 L10 I147 P180 L193 W197 H240 R241 F244I8-I149 HydrophobicContact CG2-CG2 3.82Å; L10-I149 HydrophobicContact CD2-CD1 3.83Å; L10-I149 HydrophobicContact CD2-CG2 4.4Å; I147-I149 HydrophobicContact CG2-CG2 4.46Å; I149-P180 HydrophobicContact CB-CG 4.5Å; I149-P180 HydrophobicContact CD1-CG 4.34Å; I149-P180 WeakPolarHBondContact O-CG 3.37Å; I149-L193 HydrophobicContact CD1-CD1 3.82Å; I149-L193 HydrophobicContact CG1-CD1 4.24Å; I149-W197 HydrophobicContact CD1-CH2 4.3Å; I149-W197 HydrophobicContact CG1-CH2 3.71Å; I149-W197 HydrophobicContact CG1-CZ2 3.74Å; I149-H240 HydrophobicContact CG2-CB 3.73Å; I149-R241 HydrophobicContact CB-CG 4.18Å; I149-R241 WeakPolarHBondContact O-CG 3.28Å; I149-R241 PolarHBondContact O-NE 2.86Å; I149-R241 PolarHBondContact O-NH2 3.03Å; I149-F244 HydrophobicContact CD1-CB 4.1Å; I149-F244 HydrophobicContact CD1-CG 4.37Å
150A93.4Very high79.1Confident0 Ų071.4 Ų71.40%037%0.37CS..THydrogen-bonded Turntrans-92.3-51.6179.700000111.3D148 P180 R181 L193D148-A150 PolarHBondContact O-N 3.3Å; D148-A150 WeakPolarHBondContact OD1-CA 3.45Å; D148-A150 PolarHBondContact OD1-N 3.02Å; A150-P180 HydrophobicContact CB-CB 4.18Å; A150-R181 HydrophobicContact CB-CG 3.96Å; A150-R181 WeakPolarHBondContact O-CD 3.25Å; A150-L193 HydrophobicContact CB-CB 3.73Å
151N91.3Very high76.1Confident68 Ų6869.6 Ų69.636%0.36436%0.355SS..THydrogen-bonded Turntrans-91.7-20.9-167.9-60.3-47000114.1D148 D195D148-N151 HydrophobicContact CB-CB 4.35Å; D148-N151 PolarHBondContact OD1-N 2.75Å; D148-N151 WeakPolarHBondContact OD2-CB 3.41Å; D148-N151 PolarHBondContact OD2-ND2 2.97Å; N151-D195 PolarHBondContact ND2-O 3.02Å
152D89.5Confident73.1Confident40 Ų4068.3 Ų68.321%0.21436%0.357CS..SBendtrans-59.1136.1175.8-78.8-13.5000109.8D148 F154 R241D148-D152 PolarHBondContact N-OD2 2.96Å; D148-D152 VanDerWaalsContact N-OD2 3.13Å; D148-D152 WeakPolarHBondContact O-CB 3.3Å; D148-D152 PolarHBondContact O-N 3.39Å; D152-F154 PolarHBondContact O-N 3.16Å; D152-R241 PolarHBondContact O-NH2 3.46Å
153P79.4Confident69.9Low98 Ų9870.3 Ų70.364%0.63638%0.381SS*.PPolyproline II helixtrans-61.5132.4-171.523.2-33.5000111.1T155 R237P153-T155 PolarHBondContact O-N 2.84Å; P153-R237 VanDerWaalsContact O-CZ 3.31Å; P153-R237 PolarHBondContact O-NH1 3.45Å; P153-R237 PolarHBondContact O-NH2 3.41Å
154F67.6Low66.8Low54 Ų5471.2 Ų71.224%0.23738%0.382CS..PPolyproline II helixtrans-52.9130164.7-74.2-103.3000108.3D152 K156 D174 D179 R241D152-F154 PolarHBondContact O-N 3.16Å; F154-K156 VanDerWaalsContact C-N 3.34Å; F154-K156 PolarHBondContact O-N 2.9Å; F154-D174 VanDerWaalsContact CA-OD2 3.25Å; F154-D174 WeakPolarHBondContact CA-OD2 3.45Å; F154-D174 WeakPolarHBondContact CB-OD2 3.14Å; F154-D174 HydrophobicContact CD1-CB 4.35Å; F154-D174 WeakPolarHBondContact CD1-OD1 3.37Å; F154-D174 WeakPolarHBondContact CD1-OD2 3.39Å; F154-D174 WeakPolarHBondContact CE1-OD1 3.38Å; F154-D179 HydrophobicContact CE1-CB 4.08Å; F154-D179 HydrophobicContact CE2-CB 4.5Å; F154-D179 HydrophobicContact CZ-CB 3.54Å; F154-D179 WeakPolarHBondContact CZ-OD1 3.46Å; F154-D179 WeakPolarHBondContact CZ-OD2 3.26Å; F154-R241 VanDerWaalsContact CD1-NH1 3.31Å; F154-R241 VanDerWaalsContact CZ-NH1 3.3Å
155T61.7Low63.7Low61 Ų6174 Ų7437%0.37440%0.397SS..  trans-71.397.6179-42.20000107.7P153 K157 D174 R237P153-T155 PolarHBondContact O-N 2.84Å; T155-K157 CarbonylContact C-O 3.5Å; T155-K157 WeakPolarHBondContact CB-O 3.48Å; T155-K157 HydrophobicContact CG2-CB 4.49Å; T155-K157 WeakPolarHBondContact CG2-O 3.44Å; T155-K157 CarbonylContact O-C 3.52Å; T155-K157 PolarHBondContact O-N 3.24Å; T155-K157 VanDerWaalsContact O-O 3.13Å; T155-D174 PolarHBondContact N-OD2 3.29Å; T155-R237 PolarHBondContact OG1-NH2 2.8Å
156K47.6Very low60.7Low214 Ų21479.6 Ų79.693%0.9343%0.428SS*.SBendtrans-58.3-32.6177.1-69.8-173.2177.8-178.60112F154F154-K156 VanDerWaalsContact C-N 3.34Å; F154-K156 PolarHBondContact O-N 2.9Å
157K45.9Very low57.6Low170 Ų17079.3 Ų79.374%0.73943%0.429SS*.SBendtrans-80.7122.2166.8-69.3-179178.1178.40106.3T155 L159T155-K157 CarbonylContact C-O 3.5Å; T155-K157 WeakPolarHBondContact CB-O 3.48Å; T155-K157 HydrophobicContact CG2-CB 4.49Å; T155-K157 WeakPolarHBondContact CG2-O 3.44Å; T155-K157 CarbonylContact O-C 3.52Å; T155-K157 PolarHBondContact O-N 3.24Å; T155-K157 VanDerWaalsContact O-O 3.13Å; K157-L159 PolarHBondContact O-N 3.22Å
158H42.4Very low54.5Low89 Ų8986.6 Ų86.641%0.41246%0.461SS..  trans-41.5146.2153.1-64.6-55000107.4S160 K168 V170H158-S160 PolarHBondContact O-N 3.37Å; H158-S160 PolarHBondContact O-OG 3Å; H158-K168 PolarHBondContact NE2-NZ 3.1Å; H158-V170 HydrophobicContact CB-CG2 4.39Å
159L42Very low51.7Low56 Ų5687 Ų8729%0.29346%0.462SS..  trans-6556.7161.7-76.9163.3000108.7K157 V161K157-L159 PolarHBondContact O-N 3.22Å; L159-V161 VanDerWaalsContact C-N 3.33Å; L159-V161 PolarHBondContact O-N 2.9Å
160S35.7Very low49.1Very low77 Ų7788.3 Ų88.354%0.53847%0.471SS..  trans-70.995.9167.655.90000105.1H158 A162H158-S160 PolarHBondContact O-N 3.37Å; H158-S160 PolarHBondContact O-OG 3Å; S160-A162 PolarHBondContact O-N 2.83Å
161V35Very low47.2Very low56 Ų5691.2 Ų91.234%0.33948%0.483SS..  trans-53.4125.6139.9-173.40000105P74 L159 A163 F227P74-V161 HydrophobicContact CB-CG1 3.95Å; P74-V161 HydrophobicContact CB-CG2 4.11Å; P74-V161 HydrophobicContact CG-CG2 4.05Å; L159-V161 VanDerWaalsContact C-N 3.33Å; L159-V161 PolarHBondContact O-N 2.9Å; V161-A163 PolarHBondContact O-N 2.84Å; V161-F227 HydrophobicContact CG2-CE2 4.47Å
162A33.2Very low45.5Very low58 Ų5889 Ų8948%0.47947%0.471SS..  trans-32.7128.4-176.600000112.5W75 S160 Y164W75-A162 HydrophobicContact CE3-CB 4.34Å; W75-A162 HydrophobicContact CZ3-CB 4.02Å; S160-A162 PolarHBondContact O-N 2.83Å; A162-Y164 PolarHBondContact O-N 3.45Å; A162-Y164 VanDerWaalsContact O-N 3.11Å
163A29.3Very low44.2Very low77 Ų7792.8 Ų92.864%0.63649%0.485SS*.  trans-51.5116.7-179.200000110.6V161V161-A163 PolarHBondContact O-N 2.84Å
164Y32.5Very low43.8Very low159 Ų15990 Ų9062%0.62447%0.465SS*.SBendtrans-106.3119.8148.3-170.7-101000106.1A162A162-Y164 PolarHBondContact O-N 3.45Å; A162-Y164 VanDerWaalsContact O-N 3.11Å
165N33.3Very low44.4Very low128 Ų12890.1 Ų90.168%0.68447%0.466SS*.THydrogen-bonded Turntrans57.546.6177.6-62.7-7.8000117.2C167N165-C167 PolarHBondContact O-N 3.48Å
166N35Very low45.4Very low153 Ų15392 Ų9282%0.81848%0.479SS*.THydrogen-bonded Turntrans56.514.4169.8-78-4.9000117K168N166-K168 PolarHBondContact O-N 2.79Å
167C31.4Very low47.4Very low80 Ų8086.9 Ų86.954%0.54146%0.458SS..  trans-81.7102.1172.3-109.20000110.2N165 I169N165-C167 PolarHBondContact O-N 3.48Å; C167-I169 HydrophobicContact CB-CG1 4.42Å; C167-I169 PolarHBondContact O-N 2.86Å
168K29.3Very low49.5Very low153 Ų15380.1 Ų80.167%0.66543%0.429SS*.  trans-70107166.9-73.8-172.3-179.5-170.20108.7H158 N166H158-K168 PolarHBondContact NE2-NZ 3.1Å; N166-K168 PolarHBondContact O-N 2.79Å
169I36.4Very low51.9Low35 Ų3576.7 Ų76.718%0.17941%0.413CS..  trans-102.7113.6177.7-56.3151.8000108.2S71 K72 C167S71-I169 WeakPolarHBondContact O-CD1 3.43Å; S71-I169 WeakPolarHBondContact OG-CG1 3.48Å; K72-I169 VanDerWaalsContact CA-CG2 3.45Å; K72-I169 HydrophobicContact CB-CG2 3.61Å; K72-I169 HydrophobicContact CD-CG2 4.3Å; K72-I169 HydrophobicContact CG-CG2 3.55Å; C167-I169 HydrophobicContact CB-CG1 4.42Å; C167-I169 PolarHBondContact O-N 2.86Å
170V38.9Very low54.5Low29 Ų2974 Ų7418%0.17640%0.399CS..  trans-129.1116.4179.4-176.70000106.2H158 I172 K173H158-V170 HydrophobicContact CB-CG2 4.39Å; V170-I172 WeakPolarHBondContact CG1-O 3.11Å; V170-K173 HydrophobicContact CB-CG 3.83Å; V170-K173 HydrophobicContact CG1-CB 4.12Å; V170-K173 HydrophobicContact CG1-CG 3.46Å; V170-K173 VanDerWaalsContact CG1-CG 3.46Å; V170-K173 HydrophobicContact CG2-CG 4.24Å
171F53.3Low57.3Low61 Ų6175.5 Ų75.527%0.26839%0.393SS..SBendtrans-61.8-46.2177.8-72-88.8000110.6V32 L69 K72V32-F171 WeakPolarHBondContact CG1-O 3.41Å; L69-F171 HydrophobicContact CD2-CE1 4.2Å; K72-F171 HydrophobicContact CB-CD1 4.47Å; K72-F171 HydrophobicContact CB-CE1 3.64Å; K72-F171 HydrophobicContact CB-CE2 4.15Å; K72-F171 HydrophobicContact CB-CZ 3.45Å; K72-F171 VanDerWaalsContact CB-CZ 3.45Å; K72-F171 HydrophobicContact CD-CD1 3.68Å; K72-F171 HydrophobicContact CD-CE1 3.56Å; K72-F171 HydrophobicContact CD-CG 4.45Å; K72-F171 HydrophobicContact CD-CZ 4.23Å; K72-F171 HydrophobicContact CG-CE1 4.21Å; K72-F171 HydrophobicContact CG-CZ 4.44Å
172I56.5Low60.1Low20 Ų2078.6 Ų78.610%0.10341%0.406CS..SBendtrans-141.2127.6171.3-56.6-175.5000106.5T28 V170 L235 L238T28-I172 HydrophobicContact CG2-CD1 3.77Å; T28-I172 HydrophobicContact CG2-CG1 4.22Å; V170-I172 WeakPolarHBondContact CG1-O 3.11Å; I172-L235 HydrophobicContact CD1-CD1 3.52Å; I172-L235 HydrophobicContact CG1-CD1 4.19Å; I172-L238 HydrophobicContact CB-CB 4Å; I172-L238 HydrophobicContact CB-CD1 3.83Å; I172-L238 HydrophobicContact CD1-CB 4.43Å; I172-L238 HydrophobicContact CG2-CB 3.69Å; I172-L238 HydrophobicContact CG2-CD1 4.16Å; I172-L238 HydrophobicContact CG2-CG 4.46Å; I172-L238 WeakPolarHBondContact O-CD1 3.06Å
173K62.4Low63.1Low120 Ų12077.5 Ų77.552%0.52239%0.39SS..  trans-78.6134.4176.3-76.5178.1-178.5175.70108.1V170 K175V170-K173 HydrophobicContact CB-CG 3.83Å; V170-K173 HydrophobicContact CG1-CB 4.12Å; V170-K173 HydrophobicContact CG1-CG 3.46Å; V170-K173 VanDerWaalsContact CG1-CG 3.46Å; V170-K173 HydrophobicContact CG2-CG 4.24Å; K173-K175 VanDerWaalsContact C-N 3.26Å; K173-K175 HydrophobicContact CB-CG 4Å; K173-K175 VanDerWaalsContact O-CG 3.29Å; K173-K175 WeakPolarHBondContact O-CG 3.16Å; K173-K175 PolarHBondContact O-N 2.83Å
174D69.8Low66.3Low40 Ų4080 Ų8021%0.21439%0.387CS..  trans-69.592.3165.2-149.7-4.8000106.3F154 T155 L238 R241F154-D174 VanDerWaalsContact CA-OD2 3.25Å; F154-D174 WeakPolarHBondContact CA-OD2 3.45Å; F154-D174 WeakPolarHBondContact CB-OD2 3.14Å; F154-D174 HydrophobicContact CD1-CB 4.35Å; F154-D174 WeakPolarHBondContact CD1-OD1 3.37Å; F154-D174 WeakPolarHBondContact CD1-OD2 3.39Å; F154-D174 WeakPolarHBondContact CE1-OD1 3.38Å; T155-D174 PolarHBondContact N-OD2 3.29Å; D174-L238 HydrophobicContact CB-CD2 3.68Å; D174-L238 WeakPolarHBondContact OD1-CD2 3.17Å; D174-R241 IonicContact OD1-NH1 3.82Å; D174-R241 PolarHBondContact OD1-NH1 2.7Å; D174-R241 IonicContact OD2-NH1 3.8Å; D174-R241 PolarHBondContact OD2-NH1 2.89Å; D174-R241 VanDerWaalsContact OD2-NH1 3.08Å
175K80.7Confident69.4Low57 Ų5772.5 Ų72.525%0.24836%0.357CS..  trans-90.4136.2-174.5-44.3-167.8-173.5167.40108.9K173 E177 Y178K173-K175 VanDerWaalsContact C-N 3.26Å; K173-K175 HydrophobicContact CB-CG 4Å; K173-K175 VanDerWaalsContact O-CG 3.29Å; K173-K175 WeakPolarHBondContact O-CG 3.16Å; K173-K175 PolarHBondContact O-N 2.83Å; K175-E177 HydrophobicContact CB-CG 4.05Å; K175-E177 WeakPolarHBondContact CB-OE1 3.34Å; K175-E177 WeakPolarHBondContact CB-OE2 3.12Å; K175-E177 HydrophobicContact CD-CG 4.46Å; K175-E177 WeakPolarHBondContact CD-OE1 3.26Å; K175-E177 IonicContact NZ-OE1 3.21Å; K175-E177 PolarHBondContact O-N 2.83Å; K175-E177 VanDerWaalsContact O-N 3.14Å; K175-Y178 HydrophobicContact CB-CD2 3.96Å; K175-Y178 HydrophobicContact CB-CE2 4.34Å; K175-Y178 HydrophobicContact CD-CD2 4.13Å; K175-Y178 HydrophobicContact CD-CE2 3.67Å; K175-Y178 HydrophobicContact CG-CD2 3.98Å; K175-Y178 HydrophobicContact CG-CE2 4.02Å; K175-Y178 PolarHBondContact O-N 2.85Å
176P82.8Confident72.5Confident100 Ų10072.7 Ų72.765%0.64936%0.363SS*.G310 helixtrans-54.6-32.3179.7-26.435.1000113.7Y178 D179P176-Y178 PolarHBondContact O-N 3.04Å; P176-D179 WeakPolarHBondContact O-CB 3.33Å; P176-D179 PolarHBondContact O-N 3.21Å
177E89.2Confident75.5Confident107 Ų10770.9 Ų70.950%0.535%0.348SS..G310 helixtrans-67-13.1175.965.5-94.1-146.800114.4K175K175-E177 HydrophobicContact CB-CG 4.05Å; K175-E177 WeakPolarHBondContact CB-OE1 3.34Å; K175-E177 WeakPolarHBondContact CB-OE2 3.12Å; K175-E177 HydrophobicContact CD-CG 4.46Å; K175-E177 WeakPolarHBondContact CD-OE1 3.26Å; K175-E177 IonicContact NZ-OE1 3.21Å; K175-E177 PolarHBondContact O-N 2.83Å; K175-E177 VanDerWaalsContact O-N 3.14Å
178Y91.5Very high78.6Confident28 Ų2869.5 Ų69.511%0.1134%0.337CS..G310 helixtrans-107.729176-55.3-32.9000112.1K175 P176 P180 R241 Q242 C245 T246K175-Y178 HydrophobicContact CB-CD2 3.96Å; K175-Y178 HydrophobicContact CB-CE2 4.34Å; K175-Y178 HydrophobicContact CD-CD2 4.13Å; K175-Y178 HydrophobicContact CD-CE2 3.67Å; K175-Y178 HydrophobicContact CG-CD2 3.98Å; K175-Y178 HydrophobicContact CG-CE2 4.02Å; K175-Y178 PolarHBondContact O-N 2.85Å; P176-Y178 PolarHBondContact O-N 3.04Å; Y178-P180 VanDerWaalsContact O-CD 3.28Å; Y178-P180 WeakPolarHBondContact O-CD 3.48Å; Y178-R241 WeakPolarHBondContact O-CB 3.27Å; Y178-Q242 HydrophobicContact CD1-CG 4.39Å; Y178-Q242 HydrophobicContact CD2-CB 3.99Å; Y178-Q242 HydrophobicContact CD2-CG 4.06Å; Y178-Q242 HydrophobicContact CE1-CG 4.08Å; Y178-Q242 HydrophobicContact CE2-CB 4.15Å; Y178-Q242 HydrophobicContact CE2-CG 3.71Å; Y178-Q242 HydrophobicContact CG-CB 4.24Å; Y178-Q242 HydrophobicContact CG-CG 4.4Å; Y178-C245 HydrophobicContact CD1-CB 3.96Å; Y178-T246 HydrophobicContact CD1-CG2 4.4Å; Y178-T246 HydrophobicContact CE1-CG2 3.76Å
179D92.5Very high81.9Confident17 Ų1764.3 Ų64.39%0.09133%0.327CS..  trans-85.2110.4169.9-175.1-7.6000110.9F154 P176 R181 I182 Y183F154-D179 HydrophobicContact CE1-CB 4.08Å; F154-D179 HydrophobicContact CE2-CB 4.5Å; F154-D179 HydrophobicContact CZ-CB 3.54Å; F154-D179 WeakPolarHBondContact CZ-OD1 3.46Å; F154-D179 WeakPolarHBondContact CZ-OD2 3.26Å; P176-D179 WeakPolarHBondContact O-CB 3.33Å; P176-D179 PolarHBondContact O-N 3.21Å; D179-R181 PolarHBondContact O-N 2.93Å; D179-R181 VanDerWaalsContact O-N 3.1Å; D179-R181 VanDerWaalsContact OD1-CB 3.28Å; D179-R181 WeakPolarHBondContact OD1-CB 3.31Å; D179-R181 WeakPolarHBondContact OD1-CG 3.45Å; D179-R181 IonicContact OD1-CZ 3.88Å; D179-R181 PolarHBondContact OD1-N 3.05Å; D179-R181 IonicContact OD1-NE 2.7Å; D179-R181 PolarHBondContact OD1-NE 3.43Å; D179-R181 IonicContact OD1-NH2 3.45Å; D179-R181 IonicContact OD2-CZ 2.93Å; D179-R181 IonicContact OD2-NE 3.51Å; D179-R181 PolarHBondContact OD2-NE 3.24Å; D179-R181 IonicContact OD2-NH2 2.81Å; D179-R181 PolarHBondContact OD2-NH2 2.85Å; D179-I182 HydrophobicContact CB-CD1 4.13Å; D179-I182 HydrophobicContact CB-CG1 3.95Å; D179-I182 WeakPolarHBondContact O-CG1 3.33Å; D179-I182 PolarHBondContact O-N 3.4Å; D179-Y183 PolarHBondContact O-N 3.43Å; D179-Y183 VanDerWaalsContact O-N 3.13Å
180P95.3Very high84.7Confident0 Ų063.8 Ų63.80%032%0.323CS..THydrogen-bonded Turntrans-63.4-18.3-179.1-24.538000114.2I149 A150 Y178 I182 L193 R241 F244I149-P180 HydrophobicContact CB-CG 4.5Å; I149-P180 HydrophobicContact CD1-CG 4.34Å; I149-P180 WeakPolarHBondContact O-CG 3.37Å; A150-P180 HydrophobicContact CB-CB 4.18Å; Y178-P180 VanDerWaalsContact O-CD 3.28Å; Y178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-I182 VanDerWaalsContact C-N 3.26Å; P180-I182 PolarHBondContact O-N 3.44Å; P180-L193 HydrophobicContact CB-CB 4.13Å; P180-L193 HydrophobicContact CB-CD1 3.82Å; P180-L193 HydrophobicContact CB-CG 4.12Å; P180-L193 PolarHBondContact O-N 3.04Å; P180-R241 HydrophobicContact CG-CB 4.42Å; P180-R241 HydrophobicContact CG-CG 3.85Å; P180-F244 HydrophobicContact CB-CD1 3.73Å; P180-F244 HydrophobicContact CB-CE1 3.95Å; P180-F244 HydrophobicContact CG-CD1 4.25Å
181R94.4Very high87.5Confident107 Ų10763.3 Ų63.340%0.40432%0.324SS..THydrogen-bonded Turntrans-76.5-14.5-179.5-57.6172.9-62.4164.89.3113.2A150 D179 P192 L193A150-R181 HydrophobicContact CB-CG 3.96Å; A150-R181 WeakPolarHBondContact O-CD 3.25Å; D179-R181 PolarHBondContact O-N 2.93Å; D179-R181 VanDerWaalsContact O-N 3.1Å; D179-R181 VanDerWaalsContact OD1-CB 3.28Å; D179-R181 WeakPolarHBondContact OD1-CB 3.31Å; D179-R181 WeakPolarHBondContact OD1-CG 3.45Å; D179-R181 IonicContact OD1-CZ 3.88Å; D179-R181 PolarHBondContact OD1-N 3.05Å; D179-R181 IonicContact OD1-NE 2.7Å; D179-R181 PolarHBondContact OD1-NE 3.43Å; D179-R181 IonicContact OD1-NH2 3.45Å; D179-R181 IonicContact OD2-CZ 2.93Å; D179-R181 IonicContact OD2-NE 3.51Å; D179-R181 PolarHBondContact OD2-NE 3.24Å; D179-R181 IonicContact OD2-NH2 2.81Å; D179-R181 PolarHBondContact OD2-NH2 2.85Å; R181-P192 WeakPolarHBondContact O-CB 3.45Å; R181-L193 WeakPolarHBondContact CA-O 3.36Å; R181-L193 WeakPolarHBondContact CG-O 3.32Å
182I93.7Very high89.5Confident122 Ų12263.5 Ų63.563%0.62633%0.331SS*.THydrogen-bonded Turntrans-119.4-17.8177.167.8177.3000112.4D179 P180D179-I182 HydrophobicContact CB-CD1 4.13Å; D179-I182 HydrophobicContact CB-CG1 3.95Å; D179-I182 WeakPolarHBondContact O-CG1 3.33Å; D179-I182 PolarHBondContact O-N 3.4Å; P180-I182 VanDerWaalsContact C-N 3.26Å; P180-I182 PolarHBondContact O-N 3.44Å
183Y96.2Very high91.4Very high35 Ų3562.9 Ų62.914%0.13733%0.328CS..  trans-76.1130178.5175.8-95.9000111.9D179 P192 F244 C245 L247 D248D179-Y183 PolarHBondContact O-N 3.43Å; D179-Y183 VanDerWaalsContact O-N 3.13Å; Y183-P192 VanDerWaalsContact O-CA 3.25Å; Y183-P192 WeakPolarHBondContact O-CA 3.39Å; Y183-F244 HydrophobicContact CD1-CD1 4.02Å; Y183-F244 AromaticContact CD1-CE1 3.68Å; Y183-F244 HydrophobicContact CD1-CE1 3.68Å; Y183-F244 HydrophobicContact CD1-CZ 4.13Å; Y183-F244 HydrophobicContact CE1-CE1 4.37Å; Y183-F244 HydrophobicContact CE1-CZ 4.49Å; Y183-F244 WeakPolarHBondContact CE1-O 3.34Å; Y183-C245 HydrophobicContact CD1-CB 4.36Å; Y183-C245 HydrophobicContact CD2-CB 4.08Å; Y183-C245 WeakPolarHBondContact CD2-O 3.41Å; Y183-C245 WeakPolarHBondContact CE2-O 3.41Å; Y183-C245 HydrophobicContact CG-CB 3.93Å; Y183-L247 HydrophobicContact CE1-CB 4.34Å; Y183-L247 PolarHBondContact OH-N 2.83Å; Y183-D248 PolarHBondContact OH-N 3.09Å
184K97.2Very high92.7Very high129 Ų12959.8 Ų59.856%0.56132%0.321SS*.  trans-128.8124.7169.2-178.4167.9-173.4176.40109.5V186 G191K184-V186 PolarHBondContact O-N 3.3Å; K184-G191 WeakPolarHBondContact CD-O 3.34Å; K184-G191 WeakPolarHBondContact CG-O 3.17Å
185S98Very high93.4Very high1 Ų163.9 Ų63.91%0.00734%0.343CS..  trans-67.2125.4174.2164.70000110K187 T188 G189 R190 D248S185-K187 PolarHBondContact OG-N 3.13Å; S185-T188 VanDerWaalsContact CB-OG1 3.27Å; S185-T188 WeakPolarHBondContact CB-OG1 3.4Å; S185-T188 PolarHBondContact OG-N 2.96Å; S185-T188 PolarHBondContact OG-OG1 3.47Å; S185-G189 VanDerWaalsContact O-CA 3.27Å; S185-G189 WeakPolarHBondContact O-CA 3.46Å; S185-G189 PolarHBondContact O-N 3.47Å; S185-R190 PolarHBondContact N-O 3.21Å; S185-D248 WeakPolarHBondContact CA-OD1 3.09Å; S185-D248 VanDerWaalsContact CB-OD1 3.28Å; S185-D248 WeakPolarHBondContact CB-OD1 3.22Å; S185-D248 PolarHBondContact OG-OD1 3.23Å
186V98.1Very high93.8Very high132 Ų13267.2 Ų67.280%0.836%0.359SS*.THydrogen-bonded Turntrans-71.9-39174.4179.20000110.1K184 D248K184-V186 PolarHBondContact O-N 3.3Å; V186-D248 PolarHBondContact N-OD1 3.27Å; V186-D248 PolarHBondContact N-OD2 3.42Å
187K98.2Very high94.3Very high115 Ų11562.8 Ų62.850%0.533%0.33SS..THydrogen-bonded Turntrans-73.1-34.8-175-67-175.2171.7-178.90113.5S185 D248 C251 D252S185-K187 PolarHBondContact OG-N 3.13Å; K187-D248 WeakPolarHBondContact CB-OD1 3.31Å; K187-D248 HydrophobicContact CD-CB 4.23Å; K187-D248 WeakPolarHBondContact CD-O 3.19Å; K187-D248 VanDerWaalsContact CE-O 3.26Å; K187-D248 WeakPolarHBondContact CE-O 3.48Å; K187-D248 HydrophobicContact CG-CB 4.32Å; K187-D248 PolarHBondContact N-OD1 3.44Å; K187-D248 PolarHBondContact NZ-O 2.79Å; K187-C251 VanDerWaalsContact CD-SG 3.56Å; K187-D252 VanDerWaalsContact CD-OD2 3.26Å; K187-D252 WeakPolarHBondContact CD-OD2 3.48Å; K187-D252 VanDerWaalsContact CE-OD2 3.31Å; K187-D252 WeakPolarHBondContact CE-OD2 3.27Å; K187-D252 IonicContact NZ-OD2 3.84Å; K187-D252 PolarHBondContact NZ-OD2 2.9Å
188T97.2Very high94.4Very high51 Ų5159.6 Ų59.631%0.31331%0.314SS..THydrogen-bonded Turntrans-117.5-7.4-170.471.60000113.5S185 R190 L247 C251S185-T188 VanDerWaalsContact CB-OG1 3.27Å; S185-T188 WeakPolarHBondContact CB-OG1 3.4Å; S185-T188 PolarHBondContact OG-N 2.96Å; S185-T188 PolarHBondContact OG-OG1 3.47Å; T188-R190 PolarHBondContact O-N 2.84Å; T188-R190 VanDerWaalsContact O-N 3.09Å; T188-R190 PolarHBondContact OG1-NE 3.21Å; T188-R190 PolarHBondContact OG1-NH2 3.03Å; T188-L247 HydrophobicContact CG2-CD2 4.45Å; T188-L247 WeakPolarHBondContact OG1-CD2 3.31Å; T188-C251 HydrophobicContact CG2-CB 4.47Å
189G96.9Very high94.3Very high45 Ų4562.9 Ų62.946%0.46433%0.334SS..  trans70.4-3.3-177.500000115.1S185S185-G189 VanDerWaalsContact O-CA 3.27Å; S185-G189 WeakPolarHBondContact O-CA 3.46Å; S185-G189 PolarHBondContact O-N 3.47Å
190R97Very high94.3Very high24 Ų2466.4 Ų66.49%0.09136%0.359CS..  trans-69.1142.7-179.5-72.5177.5-78.3-165.8-10.7112.1P11 E16 S185 T188 F244 L247P11-R190 WeakPolarHBondContact O-CD 3.4Å; P11-R190 PolarHBondContact O-NH1 3.13Å; E16-R190 IonicContact OE1-CZ 3.7Å; E16-R190 IonicContact OE1-NH1 3.96Å; E16-R190 PolarHBondContact OE1-NH1 2.96Å; E16-R190 IonicContact OE1-NH2 3.97Å; E16-R190 PolarHBondContact OE1-NH2 2.81Å; E16-R190 IonicContact OE2-CZ 2.68Å; E16-R190 IonicContact OE2-NH1 2.73Å; E16-R190 PolarHBondContact OE2-NH1 2.81Å; E16-R190 IonicContact OE2-NH2 3.06Å; S185-R190 PolarHBondContact N-O 3.21Å; T188-R190 PolarHBondContact O-N 2.84Å; T188-R190 VanDerWaalsContact O-N 3.09Å; T188-R190 PolarHBondContact OG1-NE 3.21Å; T188-R190 PolarHBondContact OG1-NH2 3.03Å; R190-F244 HydrophobicContact CB-CE2 4.4Å; R190-L247 HydrophobicContact CB-CD2 4.4Å; R190-L247 VanDerWaalsContact CZ-CD2 3.43Å; R190-L247 VanDerWaalsContact NE-CD2 3.34Å
191G96.4Very high94.2Very high19 Ų1967.1 Ų67.120%0.19636%0.364CS..  trans84.2172-174.900000113.1K184K184-G191 WeakPolarHBondContact CD-O 3.34Å; K184-G191 WeakPolarHBondContact CG-O 3.17Å
192P96.3Very high94.3Very high64 Ų6468.2 Ų68.242%0.41638%0.378SS..  cis-63.1153.5-6.128.1-34.8000113.2R181 Y183R181-P192 WeakPolarHBondContact O-CB 3.45Å; Y183-P192 VanDerWaalsContact O-CA 3.25Å; Y183-P192 WeakPolarHBondContact O-CA 3.39Å
193L96.3Very high94.4Very high7 Ų764.1 Ų64.14%0.03736%0.359CS..  trans-90.4106.3175.2-57-173.2000108.9P11 I149 A150 P180 R181 W197 F244P11-L193 HydrophobicContact CG-CD1 4.18Å; P11-L193 HydrophobicContact CG-CD2 4.14Å; I149-L193 HydrophobicContact CD1-CD1 3.82Å; I149-L193 HydrophobicContact CG1-CD1 4.24Å; A150-L193 HydrophobicContact CB-CB 3.73Å; P180-L193 HydrophobicContact CB-CB 4.13Å; P180-L193 HydrophobicContact CB-CD1 3.82Å; P180-L193 HydrophobicContact CB-CG 4.12Å; P180-L193 PolarHBondContact O-N 3.04Å; R181-L193 WeakPolarHBondContact CA-O 3.36Å; R181-L193 WeakPolarHBondContact CG-O 3.32Å; L193-W197 HydrophobicContact CB-CB 3.99Å; L193-W197 HydrophobicContact CB-CD2 3.95Å; L193-W197 HydrophobicContact CB-CE3 4.48Å; L193-W197 HydrophobicContact CB-CG 3.71Å; L193-W197 HydrophobicContact CD1-CD2 3.95Å; L193-W197 HydrophobicContact CD1-CE3 3.8Å; L193-W197 HydrophobicContact CD1-CH2 4.34Å; L193-W197 HydrophobicContact CD1-CZ2 4.49Å; L193-W197 HydrophobicContact CD1-CZ3 4.01Å; L193-W197 HydrophobicContact CD2-CB 4.2Å; L193-W197 HydrophobicContact CD2-CD2 4.25Å; L193-W197 HydrophobicContact CD2-CE3 3.97Å; L193-W197 HydrophobicContact CD2-CG 4.38Å; L193-W197 HydrophobicContact CG-CD2 4.26Å; L193-W197 HydrophobicContact CG-CE3 4.29Å; L193-W197 HydrophobicContact CG-CG 4.42Å; L193-F244 HydrophobicContact CD1-CD1 3.88Å; L193-F244 HydrophobicContact CD1-CE1 3.62Å; L193-F244 HydrophobicContact CD1-CE2 4.37Å; L193-F244 HydrophobicContact CD1-CG 4.34Å; L193-F244 HydrophobicContact CD1-CZ 3.89Å; L193-F244 HydrophobicContact CD2-CE1 4.2Å; L193-F244 HydrophobicContact CD2-CE2 4.42Å; L193-F244 HydrophobicContact CD2-CZ 3.79Å; L193-F244 HydrophobicContact CG-CD1 4.3Å; L193-F244 HydrophobicContact CG-CE1 3.54Å; L193-F244 HydrophobicContact CG-CZ 3.66Å
194C89.9Confident94.5Very high55 Ų5566.3 Ų66.337%0.37237%0.368SS..  trans-122.7153.5-179.4-59.20000110.7E196 W197C194-E196 PolarHBondContact O-N 2.77Å; C194-W197 WeakPolarHBondContact O-CB 3.33Å; C194-W197 PolarHBondContact O-N 3.1Å
195D83.1Confident94.6Very high127 Ų12760.2 Ų60.268%0.67934%0.341SS*.THydrogen-bonded Turntrans47.3-112167.7-48.4-41.8000112.7N151 W197N151-D195 PolarHBondContact ND2-O 3.02Å; D195-W197 VanDerWaalsContact C-N 3.27Å; D195-W197 PolarHBondContact O-N 3.45Å
196E88.9Confident94.6Very high126 Ų12660.1 Ų60.159%0.58934%0.341SS*.THydrogen-bonded Turntrans-86.427.6-179-62.9-6214200113.6C194 F198 N199 S200C194-E196 PolarHBondContact O-N 2.77Å; E196-F198 PolarHBondContact O-N 2.66Å; E196-F198 VanDerWaalsContact O-N 3.1Å; E196-N199 PolarHBondContact O-N 2.88Å; E196-N199 PolarHBondContact OE2-ND2 3.13Å; E196-S200 PolarHBondContact O-N 2.82Å; E196-S200 PolarHBondContact O-OG 2.7Å
197W95.2Very high94.6Very high8 Ų853.9 Ų53.93%0.0330%0.303CS..Hα-helixtrans-52.5-35.317873.3-86.5000111.6V9 D148 I149 L193 C194 D195 N199 S200 C201V9-W197 HydrophobicContact CG1-CZ3 4.43Å; V9-W197 WeakPolarHBondContact O-CH2 3.28Å; D148-W197 VanDerWaalsContact OD1-CZ2 3.29Å; D148-W197 WeakPolarHBondContact OD1-CZ2 3.48Å; D148-W197 PolarHBondContact OD1-NE1 2.96Å; D148-W197 PolarHBondContact OD2-NE1 3.22Å; I149-W197 HydrophobicContact CD1-CH2 4.3Å; I149-W197 HydrophobicContact CG1-CH2 3.71Å; I149-W197 HydrophobicContact CG1-CZ2 3.74Å; L193-W197 HydrophobicContact CB-CB 3.99Å; L193-W197 HydrophobicContact CB-CD2 3.95Å; L193-W197 HydrophobicContact CB-CE3 4.48Å; L193-W197 HydrophobicContact CB-CG 3.71Å; L193-W197 HydrophobicContact CD1-CD2 3.95Å; L193-W197 HydrophobicContact CD1-CE3 3.8Å; L193-W197 HydrophobicContact CD1-CH2 4.34Å; L193-W197 HydrophobicContact CD1-CZ2 4.49Å; L193-W197 HydrophobicContact CD1-CZ3 4.01Å; L193-W197 HydrophobicContact CD2-CB 4.2Å; L193-W197 HydrophobicContact CD2-CD2 4.25Å; L193-W197 HydrophobicContact CD2-CE3 3.97Å; L193-W197 HydrophobicContact CD2-CG 4.38Å; L193-W197 HydrophobicContact CG-CD2 4.26Å; L193-W197 HydrophobicContact CG-CE3 4.29Å; L193-W197 HydrophobicContact CG-CG 4.42Å; C194-W197 WeakPolarHBondContact O-CB 3.33Å; C194-W197 PolarHBondContact O-N 3.1Å; D195-W197 VanDerWaalsContact C-N 3.27Å; D195-W197 PolarHBondContact O-N 3.45Å; W197-N199 PolarHBondContact O-N 2.89Å; W197-S200 PolarHBondContact O-N 3.46Å; W197-C201 HydrophobicContact CE3-CB 4.36Å; W197-C201 VanDerWaalsContact O-CB 3.24Å; W197-C201 WeakPolarHBondContact O-CB 3.31Å; W197-C201 PolarHBondContact O-N 3.18Å; W197-C201 PolarHBondContact O-SG 2.78Å
198F90Very high94.7Very high40 Ų4048.4 Ų48.418%0.17528%0.279CS..Hα-helixtrans-57.4-34179.9-173.6-80.7000112.2V9 R125 V146 E196V9-F198 HydrophobicContact CB-CD2 3.86Å; V9-F198 HydrophobicContact CB-CE2 3.44Å; V9-F198 VanDerWaalsContact CB-CE2 3.44Å; V9-F198 HydrophobicContact CB-CZ 3.99Å; V9-F198 HydrophobicContact CG1-CD2 4.35Å; V9-F198 HydrophobicContact CG1-CE2 4.27Å; V9-F198 HydrophobicContact CG2-CD2 4.13Å; V9-F198 HydrophobicContact CG2-CE1 4.21Å; V9-F198 HydrophobicContact CG2-CE2 3.26Å; V9-F198 HydrophobicContact CG2-CZ 3.31Å; R125-F198 HydrophobicContact CB-CE1 4.1Å; R125-F198 WeakPolarHBondContact CD-O 3.22Å; R125-F198 VanDerWaalsContact CZ-O 3.26Å; R125-F198 PolarHBondContact NH1-O 3.17Å; R125-F198 WeakPolarHBondContact O-CZ 3.45Å; V146-F198 HydrophobicContact CG1-CE2 4.28Å; E196-F198 PolarHBondContact O-N 2.66Å; E196-F198 VanDerWaalsContact O-N 3.1Å
199N90.8Very high94.7Very high97 Ų9746.9 Ų46.952%0.51927%0.268SS..Hα-helixtrans-92.1-23.7-176.8-71.1-41.5000113.1R125 E196 W197R125-N199 PolarHBondContact NE-O 3.39Å; R125-N199 PolarHBondContact NH2-O 3.49Å; R125-N199 VanDerWaalsContact NH2-O 3.16Å; E196-N199 PolarHBondContact O-N 2.88Å; E196-N199 PolarHBondContact OE2-ND2 3.13Å; W197-N199 PolarHBondContact O-N 2.89Å
200S91.2Very high94.8Very high90 Ų9044.9 Ų44.963%0.62925%0.247SC*.Hα-helixtrans-107.4-16.6-171.653.30000114.8E196 W197E196-S200 PolarHBondContact O-N 2.82Å; E196-S200 PolarHBondContact O-OG 2.7Å; W197-S200 PolarHBondContact O-N 3.46Å
201C94.3Very high94.9Very high15 Ų1543.7 Ų43.710%0.10124%0.242CC..  trans-65.7140.8-174.968.80000113P11 R125 W197 Y204P11-C201 HydrophobicContact CB-CB 3.89Å; R125-C201 PolarHBondContact NH1-SG 2.99Å; R125-C201 PolarHBondContact NH2-O 3.45Å; W197-C201 HydrophobicContact CE3-CB 4.36Å; W197-C201 VanDerWaalsContact O-CB 3.24Å; W197-C201 WeakPolarHBondContact O-CB 3.31Å; W197-C201 PolarHBondContact O-N 3.18Å; W197-C201 PolarHBondContact O-SG 2.78Å; C201-Y204 WeakPolarHBondContact O-CD1 3.16Å
202N94.7Very high94.9Very high131 Ų13143.4 Ų43.470%0.70124%0.237SC*.SBendtrans-144.9131.8173.2-174.530.8000108.3
203P97.5Very high94.7Very high35 Ų3540.3 Ų40.323%0.22722%0.217CC..SBendcis-62.1169-6.431.4-39000113.1P11 T13P11-P203 CarbonylContact C-O 3.56Å; P11-P203 VanDerWaalsContact C-O 3.32Å; P11-P203 WeakPolarHBondContact CA-O 3.42Å; T13-P203 HydrophobicContact CG2-CB 3.61Å; T13-P203 HydrophobicContact CG2-CG 3.73Å
204Y97.7Very high94.4Very high82 Ų8242.2 Ų42.232%0.32223%0.225SC..  trans-143.8144.8173.456.6-93.1000111.9L10 V12 V123 R125 C201L10-Y204 WeakPolarHBondContact O-CA 3.36Å; V12-Y204 CarbonylContact O-C 3.47Å; V123-Y204 HydrophobicContact CG1-CE2 4.33Å; R125-Y204 HydrophobicContact CG-CD2 4.11Å; R125-Y204 HydrophobicContact CG-CE2 4.4Å; C201-Y204 WeakPolarHBondContact O-CD1 3.16Å
205I98.4Very high94.4Very high0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-136.4164.4164.261166000109.1V9 L10 V12 L14 Y17 L122 V123 D124V9-I205 CarbonylContact C-O 3.32Å; V9-I205 VanDerWaalsContact CA-O 3.26Å; V9-I205 WeakPolarHBondContact CA-O 3.46Å; L10-I205 HydrophobicContact CB-CG1 4.17Å; L10-I205 PolarHBondContact N-O 3.45Å; L10-I205 PolarHBondContact O-N 3.27Å; V12-I205 HydrophobicContact CG2-CD1 3.77Å; V12-I205 HydrophobicContact CG2-CG1 3.86Å; V12-I205 WeakPolarHBondContact O-CG2 3.38Å; L14-I205 HydrophobicContact CD2-CB 4.42Å; L14-I205 HydrophobicContact CD2-CD1 4.44Å; L14-I205 HydrophobicContact CD2-CG2 3.81Å; L14-I205 HydrophobicContact CG-CG2 3.77Å; Y17-I205 VanDerWaalsContact CB-CD1 3.45Å; Y17-I205 HydrophobicContact CD1-CD1 4.06Å; Y17-I205 HydrophobicContact CD2-CD1 3.76Å; Y17-I205 HydrophobicContact CG-CD1 3.46Å; Y17-I205 VanDerWaalsContact CG-CD1 3.46Å; L122-I205 CarbonylContact O-C 3.34Å; L122-I205 VanDerWaalsContact O-CA 3.29Å; L122-I205 WeakPolarHBondContact O-CA 3.25Å; L122-I205 WeakPolarHBondContact O-CB 3.31Å; V123-I205 HydrophobicContact CG2-CG2 4.43Å; D124-I205 CarbonylContact O-C 3.48Å
206C98.7Very high94.7Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-119.7131.5164.6-178.20000110.8I8 V9 L122 D124 G126 Y208I8-C206 WeakPolarHBondContact O-CA 3.49Å; V9-C206 HydrophobicContact CG2-CB 4.1Å; L122-C206 PolarHBondContact N-O 3.41Å; L122-C206 VanDerWaalsContact N-O 3.08Å; L122-C206 PolarHBondContact O-N 3.37Å; D124-C206 PolarHBondContact O-N 3.1Å; D124-C206 VanDerWaalsContact OD1-CB 3.22Å; D124-C206 WeakPolarHBondContact OD1-CB 3.29Å; G126-C206 WeakPolarHBondContact CA-SG 3.46Å; C206-Y208 HydrophobicContact CB-CD2 4.21Å; C206-Y208 HydrophobicContact CB-CE2 3.6Å; C206-Y208 VanDerWaalsContact SG-CE2 3.58Å
207C98.8Very high94.4Very high0 Ų037.2 Ų37.20%019%0.187CC..EExtended strand (participates in β ladder)trans-88.3111.9166.7-50.70000108.4Y6 R7 I8 L10 Y17 H121 K209Y6-C207 VanDerWaalsContact O-O 3.14Å; R7-C207 WeakPolarHBondContact CA-O 3.35Å; I8-C207 HydrophobicContact CB-CB 4.31Å; I8-C207 HydrophobicContact CD1-CB 4.27Å; I8-C207 PolarHBondContact N-O 2.91Å; I8-C207 PolarHBondContact O-N 3.37Å; L10-C207 VanDerWaalsContact CD1-SG 3.58Å; Y17-C207 VanDerWaalsContact CZ-SG 3.5Å; Y17-C207 PolarHBondContact OH-SG 3.29Å; H121-C207 VanDerWaalsContact CD2-SG 3.58Å; C207-K209 HydrophobicContact CB-CG 4.46Å
208Y98.8Very high93.8Very high0 Ų048.4 Ų48.40%023%0.23CC..EExtended strand (participates in β ladder)trans-92.1105.7171-65.2-99000108R7 T119 M120 L122 D124 G126 T127 T128 A131 H132 C206R7-Y208 HydrophobicContact CG-CD1 3.89Å; R7-Y208 HydrophobicContact CG-CE1 4.01Å; T119-Y208 CarbonylContact C-O 3.59Å; T119-Y208 WeakPolarHBondContact CA-O 3.37Å; T119-Y208 WeakPolarHBondContact CG2-O 3.01Å; M120-Y208 PolarHBondContact N-O 3.45Å; M120-Y208 PolarHBondContact O-N 3.16Å; L122-Y208 HydrophobicContact CB-CD2 4.49Å; L122-Y208 HydrophobicContact CB-CE2 4.04Å; L122-Y208 HydrophobicContact CD1-CD2 4.12Å; L122-Y208 HydrophobicContact CD1-CE2 3.83Å; L122-Y208 HydrophobicContact CG-CD2 4.3Å; L122-Y208 HydrophobicContact CG-CE2 4.19Å; D124-Y208 WeakPolarHBondContact OD1-CE2 3.08Å; D124-Y208 PolarHBondContact OD1-OH 3.34Å; D124-Y208 PolarHBondContact OD2-OH 3.02Å; G126-Y208 WeakPolarHBondContact CA-OH 3.38Å; T127-Y208 PolarHBondContact N-OH 3.13Å; T128-Y208 WeakPolarHBondContact CB-OH 3.33Å; T128-Y208 PolarHBondContact N-OH 3.45Å; T128-Y208 WeakPolarHBondContact O-CE1 3.39Å; A131-Y208 HydrophobicContact CB-CD1 3.61Å; A131-Y208 HydrophobicContact CB-CD2 4.05Å; A131-Y208 HydrophobicContact CB-CE1 4.05Å; A131-Y208 HydrophobicContact CB-CE2 4.46Å; A131-Y208 HydrophobicContact CB-CG 3.6Å; H132-Y208 PolarHBondContact CE1-O 2.94Å; H132-Y208 PolarHBondContact NE2-O 3.22Å; C206-Y208 HydrophobicContact CB-CD2 4.21Å; C206-Y208 HydrophobicContact CB-CE2 3.6Å; C206-Y208 VanDerWaalsContact SG-CE2 3.58Å
209K98.7Very high93.6Very high20 Ų2049.8 Ų49.89%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-110.5102.5-177.9-64.6-172.9178.8-670109.9E5 Y6 I8 T119 C207 F236 H240E5-K209 WeakPolarHBondContact CA-O 3.34Å; Y6-K209 PolarHBondContact N-O 3.15Å; Y6-K209 PolarHBondContact O-N 3.46Å; I8-K209 HydrophobicContact CD1-CB 4.46Å; I8-K209 HydrophobicContact CD1-CD 3.9Å; I8-K209 HydrophobicContact CD1-CG 4.1Å; T119-K209 HydrophobicContact CG2-CG 3.71Å; C207-K209 HydrophobicContact CB-CG 4.46Å; K209-F236 HydrophobicContact CB-CD2 4.4Å; K209-F236 HydrophobicContact CB-CE2 3.83Å; K209-F236 HydrophobicContact CB-CZ 3.98Å; K209-F236 HydrophobicContact CD-CD1 3.58Å; K209-F236 HydrophobicContact CD-CD2 4.01Å; K209-F236 HydrophobicContact CD-CE1 3.49Å; K209-F236 VanDerWaalsContact CD-CE1 3.49Å; K209-F236 HydrophobicContact CD-CE2 3.9Å; K209-F236 HydrophobicContact CD-CG 3.85Å; K209-F236 HydrophobicContact CD-CZ 3.65Å; K209-F236 HydrophobicContact CG-CZ 4.41Å; K209-H240 WeakPolarHBondContact CE-CE1 3.32Å; K209-H240 WeakPolarHBondContact CE-NE2 3.3Å
210L98.6Very high93.3Very high2 Ų248.2 Ų48.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-88.8114.7176.4-171.272.9000110.6L3 R4 E5 V117 E118 H132 L134 R142L3-L210 HydrophobicContact CD1-CD1 3.65Å; L3-L210 HydrophobicContact CD1-CD2 4.1Å; L3-L210 HydrophobicContact CD1-CG 3.74Å; L3-L210 HydrophobicContact CD2-CD1 4.34Å; L3-L210 HydrophobicContact CG-CD1 3.88Å; R4-L210 CarbonylContact O-C 3.59Å; R4-L210 WeakPolarHBondContact O-CA 3.31Å; E5-L210 HydrophobicContact CB-CD1 3.9Å; E5-L210 HydrophobicContact CG-CD1 4.46Å; V117-L210 CarbonylContact C-O 3.5Å; V117-L210 VanDerWaalsContact CA-O 3.31Å; V117-L210 WeakPolarHBondContact CA-O 3.12Å; E118-L210 HydrophobicContact CB-CB 4.48Å; E118-L210 PolarHBondContact N-O 3Å; E118-L210 PolarHBondContact O-N 2.96Å; H132-L210 HydrophobicContact CB-CD2 4.3Å; L134-L210 HydrophobicContact CD1-CD1 4.09Å; L134-L210 HydrophobicContact CD1-CD2 4.01Å; L134-L210 HydrophobicContact CD2-CD2 3.54Å; L134-L210 HydrophobicContact CG-CD2 4.3Å; R142-L210 HydrophobicContact CG-CD1 4.46Å
211V97.9Very high93.1Very high0 Ų047.5 Ų47.50%023%0.23CC..EExtended strand (participates in β ladder)trans-108.2113179.4-175.50000109.8R4 Y6 I115 K116 V117 V213 Q229 Y232 F236R4-V211 PolarHBondContact N-O 2.77Å; R4-V211 PolarHBondContact O-N 3.24Å; Y6-V211 HydrophobicContact CD2-CG2 3.86Å; Y6-V211 HydrophobicContact CE2-CB 4.06Å; Y6-V211 HydrophobicContact CE2-CG2 3.68Å; I115-V211 HydrophobicContact CG2-CG1 4.23Å; K116-V211 WeakPolarHBondContact O-CA 3.17Å; V117-V211 HydrophobicContact CG1-CG2 4.27Å; V117-V211 HydrophobicContact CG2-CG1 4.42Å; V117-V211 HydrophobicContact CG2-CG2 4.22Å; V211-V213 HydrophobicContact CG1-CG2 3.94Å; V211-Q229 PolarHBondContact O-NE2 2.85Å; V211-Y232 HydrophobicContact CG1-CD2 3.84Å; V211-Y232 HydrophobicContact CG1-CE2 4.14Å; V211-Y232 HydrophobicContact CG1-CG 4.16Å; V211-Y232 HydrophobicContact CG2-CD1 4.33Å; V211-Y232 HydrophobicContact CG2-CG 4.22Å; V211-F236 HydrophobicContact CG2-CE2 3.64Å; V211-F236 HydrophobicContact CG2-CZ 3.79Å
212T97Very high92.8Very high12 Ų1250 Ų507%0.07425%0.248CC..EExtended strand (participates in β ladder)trans-98126.2169.1-51.40000109M1 L3 I115 K116M1-T212 HydrophobicContact CG-CG2 3.53Å; M1-T212 HydrophobicContact SD-CG2 3.4Å; M1-T212 WeakPolarHBondContact SD-CG2 3.47Å; L3-T212 VanDerWaalsContact CD1-OG1 3.27Å; L3-T212 WeakPolarHBondContact CD1-OG1 3.21Å; I115-T212 CarbonylContact C-O 3.48Å; I115-T212 WeakPolarHBondContact CA-O 3.26Å; K116-T212 PolarHBondContact N-O 2.88Å; K116-T212 PolarHBondContact O-N 3.14Å
213V92.7Very high92.4Very high0 Ų049.7 Ų49.70%024%0.237CC..EExtended strand (participates in β ladder)trans-120.1131.2172.4-171.10000109.7M1 L2 I115 V211 E225 I228 Q229M1-V213 WeakPolarHBondContact CA-O 3.43Å; L2-V213 PolarHBondContact N-O 3.13Å; L2-V213 PolarHBondContact O-N 2.73Å; L2-V213 VanDerWaalsContact O-N 3.14Å; I115-V213 HydrophobicContact CG1-CG1 4.23Å; I115-V213 HydrophobicContact CG1-CG2 4.45Å; I115-V213 HydrophobicContact CG2-CG2 4.49Å; V211-V213 HydrophobicContact CG1-CG2 3.94Å; V213-E225 HydrophobicContact CB-CG 4.35Å; V213-E225 HydrophobicContact CG1-CB 4.37Å; V213-E225 HydrophobicContact CG1-CG 3.99Å; V213-I228 HydrophobicContact CG1-CB 4.23Å; V213-I228 HydrophobicContact CG1-CD1 3.69Å; V213-I228 HydrophobicContact CG1-CG2 4.08Å; V213-I228 HydrophobicContact CG2-CB 4.36Å; V213-I228 HydrophobicContact CG2-CG2 3.68Å; V213-Q229 HydrophobicContact CG2-CG 4.07Å
214Q90.7Very high91.9Very high47 Ų4748 Ų4822%0.2223%0.226CC..EExtended strand (participates in β ladder)trans-125.3122.1171.6171.5178.4-41.900108.6E111 F113 L114 K216E111-Q214 PolarHBondContact O-NE2 3.19Å; F113-Q214 WeakPolarHBondContact CA-O 3.31Å; L114-Q214 HydrophobicContact CB-CB 4.25Å; L114-Q214 PolarHBondContact N-O 3.14Å; L114-Q214 PolarHBondContact O-N 3.08Å; Q214-K216 HydrophobicContact CG-CD 4.33Å; Q214-K216 HydrophobicContact CG-CG 3.99Å
215F89.1Confident91.4Very high3 Ų344.8 Ų44.81%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-135.694.3177.3-167.4-80.5000109.1L77 M109 N112 F113 W217 F220 Q221 A224 E225L77-F215 HydrophobicContact CD1-CE2 4.32Å; L77-F215 HydrophobicContact CD1-CZ 3.96Å; M109-F215 HydrophobicContact SD-CD2 4.5Å; M109-F215 HydrophobicContact SD-CE2 3.7Å; M109-F215 HydrophobicContact SD-CZ 4.21Å; N112-F215 CarbonylContact O-C 3.5Å; N112-F215 WeakPolarHBondContact O-CA 3.25Å; F113-F215 AromaticContact CD2-CD2 3.67Å; F113-F215 HydrophobicContact CD2-CD2 3.67Å; F113-F215 HydrophobicContact CD2-CE2 4.1Å; F113-F215 HydrophobicContact CE2-CD2 4.15Å; F215-W217 HydrophobicContact CD1-CB 3.89Å; F215-W217 HydrophobicContact CE1-CB 3.45Å; F215-W217 VanDerWaalsContact CE1-CB 3.45Å; F215-W217 HydrophobicContact CE1-CD2 4.46Å; F215-W217 AromaticContact CE1-CE3 3.85Å; F215-W217 HydrophobicContact CE1-CE3 3.85Å; F215-W217 HydrophobicContact CE1-CG 4.39Å; F215-W217 HydrophobicContact CZ-CB 4.38Å; F215-W217 AromaticContact CZ-CE3 3.73Å; F215-W217 HydrophobicContact CZ-CE3 3.73Å; F215-W217 HydrophobicContact CZ-CZ3 4.42Å; F215-W217 PolarHBondContact O-N 3.44Å; F215-F220 HydrophobicContact CE1-CB 3.98Å; F215-Q221 WeakPolarHBondContact O-CA 3.46Å; F215-Q221 WeakPolarHBondContact O-CB 3.32Å; F215-Q221 WeakPolarHBondContact O-CG 3.33Å; F215-Q221 PolarHBondContact O-OE1 3.37Å; F215-A224 HydrophobicContact CB-CB 4.14Å; F215-A224 HydrophobicContact CD1-CB 3.62Å; F215-A224 HydrophobicContact CD2-CB 3.55Å; F215-A224 HydrophobicContact CE1-CB 3.8Å; F215-A224 HydrophobicContact CE2-CB 3.79Å; F215-A224 HydrophobicContact CG-CB 3.49Å; F215-A224 VanDerWaalsContact CG-CB 3.49Å; F215-A224 HydrophobicContact CZ-CB 3.9Å; F215-E225 HydrophobicContact CB-CG 4.07Å
216K88.3Confident90.9Very high116 Ų11651.3 Ų51.350%0.50424%0.239SC..  trans-92.967.2-173.2-66.3176.9172.2171.70111.3N112 Q214N112-K216 HydrophobicContact CB-CB 4.09Å; N112-K216 PolarHBondContact O-N 2.94Å; N112-K216 PolarHBondContact OD1-O 3.11Å; Q214-K216 HydrophobicContact CG-CD 4.33Å; Q214-K216 HydrophobicContact CG-CG 3.99Å
217W84.5Confident90.3Very high83 Ų8352.9 Ų52.931%0.31425%0.245SC..  trans-128.7127.7174.2-139.98.7000111.6L80 L81 Y108 F215 G219 F220 Q221L80-W217 HydrophobicContact CB-CE3 4.28Å; L80-W217 HydrophobicContact CB-CH2 3.39Å; L80-W217 HydrophobicContact CB-CZ2 4.4Å; L80-W217 HydrophobicContact CB-CZ3 3.3Å; L80-W217 HydrophobicContact CD1-CE3 3.99Å; L80-W217 HydrophobicContact CD1-CZ3 3.79Å; L80-W217 HydrophobicContact CG-CH2 4.44Å; L80-W217 HydrophobicContact CG-CZ3 4.12Å; L80-W217 WeakPolarHBondContact O-CH2 3.35Å; L81-W217 HydrophobicContact CD2-CH2 4.48Å; L81-W217 HydrophobicContact CD2-CZ3 4.36Å; Y108-W217 AromaticContact CE1-CH2 3.72Å; Y108-W217 HydrophobicContact CE1-CH2 3.72Å; Y108-W217 HydrophobicContact CE1-CZ2 4.19Å; F215-W217 HydrophobicContact CD1-CB 3.89Å; F215-W217 HydrophobicContact CE1-CB 3.45Å; F215-W217 VanDerWaalsContact CE1-CB 3.45Å; F215-W217 HydrophobicContact CE1-CD2 4.46Å; F215-W217 AromaticContact CE1-CE3 3.85Å; F215-W217 HydrophobicContact CE1-CE3 3.85Å; F215-W217 HydrophobicContact CE1-CG 4.39Å; F215-W217 HydrophobicContact CZ-CB 4.38Å; F215-W217 AromaticContact CZ-CE3 3.73Å; F215-W217 HydrophobicContact CZ-CE3 3.73Å; F215-W217 HydrophobicContact CZ-CZ3 4.42Å; F215-W217 PolarHBondContact O-N 3.44Å; W217-G219 PolarHBondContact O-N 2.94Å; W217-F220 PolarHBondContact O-N 2.75Å; W217-F220 VanDerWaalsContact O-N 3.11Å; W217-Q221 PolarHBondContact O-N 3.25Å
218W81.9Confident89.8Confident244 Ų24453.7 Ų53.792%0.92425%0.25SC*.THydrogen-bonded Turntrans-57.8129.8-174.4-173.482.2000111.1F220W218-F220 VanDerWaalsContact O-CD2 3.29Å; W218-F220 WeakPolarHBondContact O-CD2 3.27Å; W218-F220 PolarHBondContact O-N 3.03Å
219G85.9Confident89.2Confident69 Ų6953.7 Ų53.771%0.71125%0.25SC*.THydrogen-bonded Turntrans78.1-14.9-178.700000116.4W217W217-G219 PolarHBondContact O-N 2.94Å
220F84.8Confident88.6Confident64 Ų6458.1 Ų58.128%0.28127%0.271SS..THydrogen-bonded Turntrans-115.7-17.7-173.9-65.4-77.8000115.2W76 L80 F215 W217 W218 S222 R223 A224W76-F220 HydrophobicContact CE3-CD1 4.12Å; W76-F220 HydrophobicContact CZ3-CD1 4.06Å; L80-F220 HydrophobicContact CD1-CB 4.47Å; L80-F220 HydrophobicContact CD1-CD1 3.72Å; L80-F220 HydrophobicContact CD1-CD2 3.71Å; L80-F220 HydrophobicContact CD1-CE1 3.79Å; L80-F220 HydrophobicContact CD1-CE2 3.79Å; L80-F220 HydrophobicContact CD1-CG 3.68Å; L80-F220 HydrophobicContact CD1-CZ 3.83Å; L80-F220 HydrophobicContact CD2-CD2 4.37Å; L80-F220 HydrophobicContact CD2-CE1 4.42Å; L80-F220 HydrophobicContact CD2-CE2 3.68Å; L80-F220 HydrophobicContact CD2-CZ 3.72Å; L80-F220 HydrophobicContact CG-CE2 4.39Å; L80-F220 HydrophobicContact CG-CZ 4.32Å; F215-F220 HydrophobicContact CE1-CB 3.98Å; W217-F220 PolarHBondContact O-N 2.75Å; W217-F220 VanDerWaalsContact O-N 3.11Å; W218-F220 VanDerWaalsContact O-CD2 3.29Å; W218-F220 WeakPolarHBondContact O-CD2 3.27Å; W218-F220 PolarHBondContact O-N 3.03Å; F220-S222 PolarHBondContact O-N 2.87Å; F220-R223 PolarHBondContact O-N 3.48Å; F220-R223 VanDerWaalsContact O-N 3.09Å; F220-A224 WeakPolarHBondContact O-CB 3.26Å; F220-A224 PolarHBondContact O-N 3.45Å
221Q86.5Confident88Confident75 Ų7559.4 Ų59.435%0.3528%0.277SS..Hα-helixtrans-43.3-60.7-177.5177.4172-35.400113.4F215 W217 R223 A224 E225F215-Q221 WeakPolarHBondContact O-CA 3.46Å; F215-Q221 WeakPolarHBondContact O-CB 3.32Å; F215-Q221 WeakPolarHBondContact O-CG 3.33Å; F215-Q221 PolarHBondContact O-OE1 3.37Å; W217-Q221 PolarHBondContact O-N 3.25Å; Q221-R223 VanDerWaalsContact C-N 3.3Å; Q221-R223 PolarHBondContact O-N 2.68Å; Q221-A224 PolarHBondContact O-N 2.77Å; Q221-E225 HydrophobicContact CG-CG 4.27Å; Q221-E225 WeakPolarHBondContact O-CB 3.48Å; Q221-E225 WeakPolarHBondContact O-CG 3.38Å; Q221-E225 PolarHBondContact O-N 3.37Å
222S87.5Confident87.5Confident66 Ų6660.5 Ų60.546%0.46228%0.281SS..Hα-helixtrans-65.3-32.2-174.6-46.80000113.2F220 R226F220-S222 PolarHBondContact O-N 2.87Å; S222-R226 WeakPolarHBondContact O-CB 3.38Å; S222-R226 VanDerWaalsContact O-CG 3.26Å; S222-R226 WeakPolarHBondContact O-CG 3.44Å; S222-R226 PolarHBondContact O-N 2.99Å; S222-R226 PolarHBondContact O-NE 3.28Å
223R87.6Confident87.2Confident125 Ų12561.8 Ų61.847%0.47229%0.287SS..Hα-helixtrans-71.3-45.1177.2-176.1179.3-179.2163.11.9110.7W76 F220 Q221 F227W76-R223 HydrophobicContact CH2-CG 4.09Å; W76-R223 HydrophobicContact CZ2-CG 4.01Å; W76-R223 HydrophobicContact CZ3-CG 4.43Å; F220-R223 PolarHBondContact O-N 3.48Å; F220-R223 VanDerWaalsContact O-N 3.09Å; Q221-R223 VanDerWaalsContact C-N 3.3Å; Q221-R223 PolarHBondContact O-N 2.68Å; R223-F227 WeakPolarHBondContact O-CB 3.16Å; R223-F227 PolarHBondContact O-N 3.06Å
224A85.8Confident86.9Confident1 Ų162.4 Ų62.41%0.00829%0.291CS..Hα-helixtrans-66.3-50.2179.200000112W76 F215 F220 Q221 R226 F227 I228W76-A224 HydrophobicContact CH2-CB 3.97Å; F215-A224 HydrophobicContact CB-CB 4.14Å; F215-A224 HydrophobicContact CD1-CB 3.62Å; F215-A224 HydrophobicContact CD2-CB 3.55Å; F215-A224 HydrophobicContact CE1-CB 3.8Å; F215-A224 HydrophobicContact CE2-CB 3.79Å; F215-A224 HydrophobicContact CG-CB 3.49Å; F215-A224 VanDerWaalsContact CG-CB 3.49Å; F215-A224 HydrophobicContact CZ-CB 3.9Å; F220-A224 WeakPolarHBondContact O-CB 3.26Å; F220-A224 PolarHBondContact O-N 3.45Å; Q221-A224 PolarHBondContact O-N 2.77Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.12Å; A224-F227 PolarHBondContact O-N 2.67Å; A224-F227 VanDerWaalsContact O-N 3.15Å; A224-I228 WeakPolarHBondContact O-CD1 3.36Å; A224-I228 VanDerWaalsContact O-CG1 3.31Å; A224-I228 WeakPolarHBondContact O-CG1 3.48Å; A224-I228 PolarHBondContact O-N 2.88Å
225E88.3Confident86.7Confident14 Ų1463.2 Ų63.27%0.06530%0.297CS..Hα-helixtrans-57.8-44178.6-71.4-179.3164.300111.2M1 L2 V213 F215 Q221 Q229M1-E225 PolarHBondContact N-OE1 3.46Å; L2-E225 HydrophobicContact CB-CB 4.08Å; L2-E225 HydrophobicContact CB-CG 4.5Å; L2-E225 HydrophobicContact CD2-CB 4.03Å; V213-E225 HydrophobicContact CB-CG 4.35Å; V213-E225 HydrophobicContact CG1-CB 4.37Å; V213-E225 HydrophobicContact CG1-CG 3.99Å; F215-E225 HydrophobicContact CB-CG 4.07Å; Q221-E225 HydrophobicContact CG-CG 4.27Å; Q221-E225 WeakPolarHBondContact O-CB 3.48Å; Q221-E225 WeakPolarHBondContact O-CG 3.38Å; Q221-E225 PolarHBondContact O-N 3.37Å; E225-Q229 WeakPolarHBondContact O-CB 3.45Å; E225-Q229 VanDerWaalsContact O-CG 3.25Å; E225-Q229 WeakPolarHBondContact O-CG 3.44Å; E225-Q229 PolarHBondContact O-N 3.28Å; E225-Q229 VanDerWaalsContact O-N 3.08Å
226R87.6Confident86.9Confident136 Ų13663.8 Ų63.851%0.51330%0.299SS..Hα-helixtrans-64.3-44.1175.7-77-172.9-64-1111.6112.7L2 S222 A224 Q229 Q230L2-R226 HydrophobicContact CD2-CG 4.5Å; S222-R226 WeakPolarHBondContact O-CB 3.38Å; S222-R226 VanDerWaalsContact O-CG 3.26Å; S222-R226 WeakPolarHBondContact O-CG 3.44Å; S222-R226 PolarHBondContact O-N 2.99Å; S222-R226 PolarHBondContact O-NE 3.28Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.12Å; R226-Q229 PolarHBondContact O-N 3.48Å; R226-Q230 WeakPolarHBondContact O-CG 3.34Å; R226-Q230 PolarHBondContact O-N 3.42Å
227F86.1Confident87.1Confident33 Ų3358.9 Ų58.915%0.14528%0.278CS..Hα-helixtrans-60.6-49178.7170.4-100.4000111.1P74 W76 V161 R223 A224 Q229 Q230 Q231P74-F227 HydrophobicContact CG-CD1 4.04Å; P74-F227 HydrophobicContact CG-CD2 4.06Å; P74-F227 HydrophobicContact CG-CE1 3.44Å; P74-F227 VanDerWaalsContact CG-CE1 3.44Å; P74-F227 HydrophobicContact CG-CE2 3.46Å; P74-F227 VanDerWaalsContact CG-CE2 3.46Å; P74-F227 HydrophobicContact CG-CG 4.33Å; P74-F227 HydrophobicContact CG-CZ 3.13Å; W76-F227 HydrophobicContact CZ2-CB 4.27Å; W76-F227 HydrophobicContact CZ2-CG 4.36Å; V161-F227 HydrophobicContact CG2-CE2 4.47Å; R223-F227 WeakPolarHBondContact O-CB 3.16Å; R223-F227 PolarHBondContact O-N 3.06Å; A224-F227 PolarHBondContact O-N 2.67Å; A224-F227 VanDerWaalsContact O-N 3.15Å; F227-Q229 VanDerWaalsContact C-N 3.33Å; F227-Q229 PolarHBondContact O-N 2.79Å; F227-Q230 WeakPolarHBondContact O-CB 3.35Å; F227-Q230 PolarHBondContact O-N 3.31Å; F227-Q230 VanDerWaalsContact O-N 3.16Å; F227-Q231 HydrophobicContact CD1-CG 4.37Å; F227-Q231 HydrophobicContact CE1-CG 3.82Å; F227-Q231 HydrophobicContact CE2-CG 4.08Å; F227-Q231 HydrophobicContact CZ-CG 3.64Å; F227-Q231 WeakPolarHBondContact O-CG 3.49Å; F227-Q231 PolarHBondContact O-N 2.88Å
228I86.9Confident87.4Confident17 Ų1755.6 Ų55.69%0.08727%0.266CS..Hα-helixtrans-59.2-45.7179.5-68.7162000110.5F113 I115 V213 A224 Q230 Q231 Y232F113-I228 HydrophobicContact CE2-CD1 3.79Å; I115-I228 HydrophobicContact CD1-CD1 4.38Å; I115-I228 HydrophobicContact CD1-CG2 3.65Å; I115-I228 HydrophobicContact CG1-CG2 4.07Å; V213-I228 HydrophobicContact CG1-CB 4.23Å; V213-I228 HydrophobicContact CG1-CD1 3.69Å; V213-I228 HydrophobicContact CG1-CG2 4.08Å; V213-I228 HydrophobicContact CG2-CB 4.36Å; V213-I228 HydrophobicContact CG2-CG2 3.68Å; A224-I228 WeakPolarHBondContact O-CD1 3.36Å; A224-I228 VanDerWaalsContact O-CG1 3.31Å; A224-I228 WeakPolarHBondContact O-CG1 3.48Å; A224-I228 PolarHBondContact O-N 2.88Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 2.98Å; I228-Q231 WeakPolarHBondContact O-CA 3.29Å; I228-Q231 WeakPolarHBondContact O-CB 3.36Å; I228-Q231 PolarHBondContact O-N 3.07Å; I228-Q231 VanDerWaalsContact O-N 3.08Å; I228-Y232 HydrophobicContact CG2-CD2 3.83Å; I228-Y232 HydrophobicContact CG2-CE2 3.73Å; I228-Y232 WeakPolarHBondContact O-CD2 3.41Å; I228-Y232 PolarHBondContact O-N 3.21Å
229Q87.5Confident87.9Confident0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-64.4-35.5178.5-70.4-74.88.300112.9L2 R4 Y6 V211 V213 E225 R226 F227 Q231 Y232 N233L2-Q229 HydrophobicContact CD2-CB 4.42Å; L2-Q229 HydrophobicContact CD2-CG 3.65Å; L2-Q229 HydrophobicContact CG-CG 4.12Å; L2-Q229 PolarHBondContact O-NE2 3.46Å; L2-Q229 VanDerWaalsContact O-NE2 3.11Å; R4-Q229 VanDerWaalsContact CD-CD 3.49Å; R4-Q229 HydrophobicContact CG-CG 4.36Å; Y6-Q229 PolarHBondContact OH-O 3.2Å; Y6-Q229 PolarHBondContact OH-OE1 3.13Å; V211-Q229 PolarHBondContact O-NE2 2.85Å; V213-Q229 HydrophobicContact CG2-CG 4.07Å; E225-Q229 WeakPolarHBondContact O-CB 3.45Å; E225-Q229 VanDerWaalsContact O-CG 3.25Å; E225-Q229 WeakPolarHBondContact O-CG 3.44Å; E225-Q229 PolarHBondContact O-N 3.28Å; E225-Q229 VanDerWaalsContact O-N 3.08Å; R226-Q229 PolarHBondContact O-N 3.48Å; F227-Q229 VanDerWaalsContact C-N 3.33Å; F227-Q229 PolarHBondContact O-N 2.79Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Y232 PolarHBondContact O-N 3.1Å; Q229-N233 PolarHBondContact O-N 3.37Å
230Q86.6Confident88.4Confident113 Ų11341.9 Ų41.953%0.52819%0.194SC..Hα-helixtrans-65-35.8172.2-72.9172.1-10.800112.4R226 F227 I228 S234R226-Q230 WeakPolarHBondContact O-CG 3.34Å; R226-Q230 PolarHBondContact O-N 3.42Å; F227-Q230 WeakPolarHBondContact O-CB 3.35Å; F227-Q230 PolarHBondContact O-N 3.31Å; F227-Q230 VanDerWaalsContact O-N 3.16Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 2.98Å; Q230-S234 PolarHBondContact O-N 3.28Å; Q230-S234 PolarHBondContact O-OG 2.73Å
231Q84.1Confident88.9Confident29 Ų2938.9 Ų38.914%0.13618%0.18CC..Hα-helixtrans-63.4-45172.7-63.4-51.7-51.700110.8F227 I228 Q229 N233 S234 L235F227-Q231 HydrophobicContact CD1-CG 4.37Å; F227-Q231 HydrophobicContact CE1-CG 3.82Å; F227-Q231 HydrophobicContact CE2-CG 4.08Å; F227-Q231 HydrophobicContact CZ-CG 3.64Å; F227-Q231 WeakPolarHBondContact O-CG 3.49Å; F227-Q231 PolarHBondContact O-N 2.88Å; I228-Q231 WeakPolarHBondContact O-CA 3.29Å; I228-Q231 WeakPolarHBondContact O-CB 3.36Å; I228-Q231 PolarHBondContact O-N 3.07Å; I228-Q231 VanDerWaalsContact O-N 3.08Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q231-N233 PolarHBondContact O-N 2.94Å; Q231-S234 PolarHBondContact O-N 2.85Å; Q231-L235 VanDerWaalsContact O-CB 3.22Å; Q231-L235 WeakPolarHBondContact O-CB 3.49Å; Q231-L235 PolarHBondContact O-N 2.83Å
232Y88.3Confident89.3Confident24 Ų2435.5 Ų35.59%0.09417%0.165CC..Hα-helixtrans-63.2-41.5177.1-85.5-72.9000113.6I103 I115 V117 V211 I228 Q229 S234 L235 F236I103-Y232 WeakPolarHBondContact CD1-OH 3.44Å; I115-Y232 HydrophobicContact CD1-CE2 4.2Å; I115-Y232 HydrophobicContact CG2-CE2 3.68Å; I115-Y232 WeakPolarHBondContact CG2-OH 3.44Å; V117-Y232 HydrophobicContact CG2-CE1 3.79Å; V211-Y232 HydrophobicContact CG1-CD2 3.84Å; V211-Y232 HydrophobicContact CG1-CE2 4.14Å; V211-Y232 HydrophobicContact CG1-CG 4.16Å; V211-Y232 HydrophobicContact CG2-CD1 4.33Å; V211-Y232 HydrophobicContact CG2-CG 4.22Å; I228-Y232 HydrophobicContact CG2-CD2 3.83Å; I228-Y232 HydrophobicContact CG2-CE2 3.73Å; I228-Y232 WeakPolarHBondContact O-CD2 3.41Å; I228-Y232 PolarHBondContact O-N 3.21Å; Q229-Y232 PolarHBondContact O-N 3.1Å; Y232-S234 VanDerWaalsContact C-N 3.27Å; Y232-S234 PolarHBondContact O-N 2.86Å; Y232-L235 HydrophobicContact CD1-CD2 4.07Å; Y232-L235 HydrophobicContact CE1-CD2 4.07Å; Y232-L235 PolarHBondContact O-N 2.86Å; Y232-F236 AromaticContact CD1-CE1 3.74Å; Y232-F236 HydrophobicContact CD1-CE1 3.74Å; Y232-F236 AromaticContact CD1-CE2 3.97Å; Y232-F236 HydrophobicContact CD1-CE2 3.97Å; Y232-F236 AromaticContact CD1-CZ 3.41Å; Y232-F236 HydrophobicContact CD1-CZ 3.41Å; Y232-F236 VanDerWaalsContact CD1-CZ 3.41Å; Y232-F236 HydrophobicContact CE1-CE1 4.31Å; Y232-F236 HydrophobicContact CE1-CZ 4.12Å; Y232-F236 HydrophobicContact CG-CE2 4.41Å; Y232-F236 HydrophobicContact CG-CZ 4.25Å; Y232-F236 WeakPolarHBondContact O-CB 3.49Å; Y232-F236 VanDerWaalsContact O-CD2 3.3Å; Y232-F236 WeakPolarHBondContact O-CD2 3.26Å; Y232-F236 VanDerWaalsContact O-CG 3.25Å; Y232-F236 WeakPolarHBondContact O-CG 3.39Å; Y232-F236 PolarHBondContact O-N 3.01Å
233N89.6Confident89.8Confident39 Ų3932.4 Ų32.421%0.20914%0.143CC..Hα-helixtrans-54.9-46.9174-171.679.2000111.6Y6 Q229 Q231 R237Y6-N233 HydrophobicContact CE1-CB 3.79Å; Y6-N233 WeakPolarHBondContact CE1-OD1 3.18Å; Q229-N233 PolarHBondContact O-N 3.37Å; Q231-N233 PolarHBondContact O-N 2.94Å; N233-R237 WeakPolarHBondContact O-CB 3.47Å; N233-R237 PolarHBondContact O-N 3.19Å; N233-R237 VanDerWaalsContact O-N 3.16Å
234S87.4Confident90.3Very high12 Ų1226.4 Ų26.48%0.08412%0.12CC..Hα-helixtrans-69.2-44.4179.3-53.50000111.8Q230 Q231 Y232 R237 L238Q230-S234 PolarHBondContact O-N 3.28Å; Q230-S234 PolarHBondContact O-OG 2.73Å; Q231-S234 PolarHBondContact O-N 2.85Å; Y232-S234 VanDerWaalsContact C-N 3.27Å; Y232-S234 PolarHBondContact O-N 2.86Å; S234-R237 PolarHBondContact O-N 3.33Å; S234-L238 WeakPolarHBondContact O-CB 3.43Å; S234-L238 WeakPolarHBondContact O-CG 3.22Å; S234-L238 PolarHBondContact O-N 3.2Å
235L87.5Confident90.8Very high64 Ų6426.8 Ų26.834%0.33512%0.123SC..Hα-helixtrans-58.7-49.9179.2179.165.8000110.8I172 Q231 Y232 L238 F239I172-L235 HydrophobicContact CD1-CD1 3.52Å; I172-L235 HydrophobicContact CG1-CD1 4.19Å; Q231-L235 VanDerWaalsContact O-CB 3.22Å; Q231-L235 WeakPolarHBondContact O-CB 3.49Å; Q231-L235 PolarHBondContact O-N 2.83Å; Y232-L235 HydrophobicContact CD1-CD2 4.07Å; Y232-L235 HydrophobicContact CE1-CD2 4.07Å; Y232-L235 PolarHBondContact O-N 2.86Å; L235-L238 PolarHBondContact O-N 3.49Å; L235-F239 WeakPolarHBondContact O-CB 3.28Å; L235-F239 PolarHBondContact O-N 3.32Å
236F93.2Very high91.3Very high15 Ų1526.3 Ų26.37%0.06612%0.121CC..Hα-helixtrans-63.5-47.5179.1-64.9-28.4000111.3Y6 I8 V117 I147 K209 V211 Y232 L238 F239 H240Y6-F236 HydrophobicContact CD1-CD2 4.26Å; Y6-F236 AromaticContact CD2-CD2 3.85Å; Y6-F236 HydrophobicContact CD2-CD2 3.85Å; Y6-F236 AromaticContact CD2-CE2 3.56Å; Y6-F236 HydrophobicContact CD2-CE2 3.56Å; Y6-F236 HydrophobicContact CE2-CD2 4.43Å; Y6-F236 HydrophobicContact CE2-CE2 4.06Å; Y6-F236 AromaticContact CG-CD2 3.75Å; Y6-F236 HydrophobicContact CG-CD2 3.75Å; Y6-F236 AromaticContact CG-CE2 3.95Å; Y6-F236 HydrophobicContact CG-CE2 3.95Å; I8-F236 HydrophobicContact CD1-CB 4.48Å; V117-F236 HydrophobicContact CG1-CZ 4.11Å; I147-F236 HydrophobicContact CD1-CB 3.77Å; K209-F236 HydrophobicContact CB-CD2 4.4Å; K209-F236 HydrophobicContact CB-CE2 3.83Å; K209-F236 HydrophobicContact CB-CZ 3.98Å; K209-F236 HydrophobicContact CD-CD1 3.58Å; K209-F236 HydrophobicContact CD-CD2 4.01Å; K209-F236 HydrophobicContact CD-CE1 3.49Å; K209-F236 VanDerWaalsContact CD-CE1 3.49Å; K209-F236 HydrophobicContact CD-CE2 3.9Å; K209-F236 HydrophobicContact CD-CG 3.85Å; K209-F236 HydrophobicContact CD-CZ 3.65Å; K209-F236 HydrophobicContact CG-CZ 4.41Å; V211-F236 HydrophobicContact CG2-CE2 3.64Å; V211-F236 HydrophobicContact CG2-CZ 3.79Å; Y232-F236 AromaticContact CD1-CE1 3.74Å; Y232-F236 HydrophobicContact CD1-CE1 3.74Å; Y232-F236 AromaticContact CD1-CE2 3.97Å; Y232-F236 HydrophobicContact CD1-CE2 3.97Å; Y232-F236 AromaticContact CD1-CZ 3.41Å; Y232-F236 HydrophobicContact CD1-CZ 3.41Å; Y232-F236 VanDerWaalsContact CD1-CZ 3.41Å; Y232-F236 HydrophobicContact CE1-CE1 4.31Å; Y232-F236 HydrophobicContact CE1-CZ 4.12Å; Y232-F236 HydrophobicContact CG-CE2 4.41Å; Y232-F236 HydrophobicContact CG-CZ 4.25Å; Y232-F236 WeakPolarHBondContact O-CB 3.49Å; Y232-F236 VanDerWaalsContact O-CD2 3.3Å; Y232-F236 WeakPolarHBondContact O-CD2 3.26Å; Y232-F236 VanDerWaalsContact O-CG 3.25Å; Y232-F236 WeakPolarHBondContact O-CG 3.39Å; Y232-F236 PolarHBondContact O-N 3.01Å; F236-L238 VanDerWaalsContact C-N 3.35Å; F236-L238 PolarHBondContact O-N 3.21Å; F236-F239 PolarHBondContact O-N 2.85Å; F236-H240 PolarHBondContact O-N 2.81Å; F236-H240 PolarHBondContact O-ND1 2.91Å
237R92.2Very high91.8Very high14 Ų1419.9 Ų19.95%0.05310%0.096CC..Hα-helixtrans-57.4-49.1178.2-173.3179.462.3-177.68.6112I147 P153 T155 N233 S234 H240 R241I147-R237 HydrophobicContact CG2-CB 3.72Å; I147-R237 HydrophobicContact CG2-CG 3.84Å; P153-R237 VanDerWaalsContact O-CZ 3.31Å; P153-R237 PolarHBondContact O-NH1 3.45Å; P153-R237 PolarHBondContact O-NH2 3.41Å; T155-R237 PolarHBondContact OG1-NH2 2.8Å; N233-R237 WeakPolarHBondContact O-CB 3.47Å; N233-R237 PolarHBondContact O-N 3.19Å; N233-R237 VanDerWaalsContact O-N 3.16Å; S234-R237 PolarHBondContact O-N 3.33Å; R237-H240 PolarHBondContact O-N 2.82Å; R237-R241 WeakPolarHBondContact O-CB 3.46Å; R237-R241 WeakPolarHBondContact O-CG 3.45Å; R237-R241 PolarHBondContact O-N 2.76Å
238L90.1Very high92.4Very high13 Ų1319.9 Ų19.97%0.06810%0.098CC..Hα-helixtrans-69.4-40.3-177-65.4171.7000112.6I172 D174 S234 L235 F236 H240 R241 Q242I172-L238 HydrophobicContact CB-CB 4Å; I172-L238 HydrophobicContact CB-CD1 3.83Å; I172-L238 HydrophobicContact CD1-CB 4.43Å; I172-L238 HydrophobicContact CG2-CB 3.69Å; I172-L238 HydrophobicContact CG2-CD1 4.16Å; I172-L238 HydrophobicContact CG2-CG 4.46Å; I172-L238 WeakPolarHBondContact O-CD1 3.06Å; D174-L238 HydrophobicContact CB-CD2 3.68Å; D174-L238 WeakPolarHBondContact OD1-CD2 3.17Å; S234-L238 WeakPolarHBondContact O-CB 3.43Å; S234-L238 WeakPolarHBondContact O-CG 3.22Å; S234-L238 PolarHBondContact O-N 3.2Å; L235-L238 PolarHBondContact O-N 3.49Å; F236-L238 VanDerWaalsContact C-N 3.35Å; F236-L238 PolarHBondContact O-N 3.21Å; L238-H240 VanDerWaalsContact C-N 3.35Å; L238-H240 PolarHBondContact O-N 2.6Å; L238-R241 PolarHBondContact O-N 3.46Å; L238-Q242 WeakPolarHBondContact O-CB 3.35Å; L238-Q242 PolarHBondContact O-N 3.43Å
239F93.1Very high92.9Very high25 Ų2525 Ų2511%0.1112%0.12CC..Hα-helixtrans-58-48.5174.8178-89.1000110.8N24 V25 L235 F236 Q242 L243N24-F239 HydrophobicContact CB-CE2 3.96Å; N24-F239 HydrophobicContact CB-CZ 3.84Å; N24-F239 WeakPolarHBondContact ND2-CD2 3.46Å; N24-F239 WeakPolarHBondContact ND2-CE2 3.44Å; N24-F239 WeakPolarHBondContact ND2-CG 3.13Å; N24-F239 VanDerWaalsContact ND2-CZ 3.34Å; N24-F239 WeakPolarHBondContact ND2-CZ 3.29Å; N24-F239 PolarHBondContact ND2-O 2.76Å; V25-F239 HydrophobicContact CG2-CE2 3.74Å; V25-F239 HydrophobicContact CG2-CZ 3.92Å; L235-F239 WeakPolarHBondContact O-CB 3.28Å; L235-F239 PolarHBondContact O-N 3.32Å; F236-F239 PolarHBondContact O-N 2.85Å; F239-Q242 PolarHBondContact O-N 2.85Å; F239-L243 HydrophobicContact CE1-CD1 3.97Å; F239-L243 WeakPolarHBondContact O-CB 3.49Å; F239-L243 PolarHBondContact O-N 2.91Å
240H96.2Very high93.4Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-76-29-176.9-62.8106.5000113.4I8 L10 I149 K209 F236 R237 L238 L243 F244I8-H240 HydrophobicContact CG2-CB 4.12Å; L10-H240 HydrophobicContact CD2-CB 3.83Å; I149-H240 HydrophobicContact CG2-CB 3.73Å; K209-H240 WeakPolarHBondContact CE-CE1 3.32Å; K209-H240 WeakPolarHBondContact CE-NE2 3.3Å; F236-H240 PolarHBondContact O-N 2.81Å; F236-H240 PolarHBondContact O-ND1 2.91Å; R237-H240 PolarHBondContact O-N 2.82Å; L238-H240 VanDerWaalsContact C-N 3.35Å; L238-H240 PolarHBondContact O-N 2.6Å; H240-L243 PolarHBondContact O-N 2.75Å; H240-F244 PolarHBondContact O-N 2.91Å
241R95.3Very high93.9Very high1 Ų120.6 Ų20.60%0.00410%0.101CC..Hα-helixtrans-57.6-51.9166.3-82.9-175.5175.7179.4-4.5111.5I149 D152 F154 D174 Y178 P180 R237 L238 L243 F244 C245I149-R241 HydrophobicContact CB-CG 4.18Å; I149-R241 WeakPolarHBondContact O-CG 3.28Å; I149-R241 PolarHBondContact O-NE 2.86Å; I149-R241 PolarHBondContact O-NH2 3.03Å; D152-R241 PolarHBondContact O-NH2 3.46Å; F154-R241 VanDerWaalsContact CD1-NH1 3.31Å; F154-R241 VanDerWaalsContact CZ-NH1 3.3Å; D174-R241 IonicContact OD1-NH1 3.82Å; D174-R241 PolarHBondContact OD1-NH1 2.7Å; D174-R241 IonicContact OD2-NH1 3.8Å; D174-R241 PolarHBondContact OD2-NH1 2.89Å; D174-R241 VanDerWaalsContact OD2-NH1 3.08Å; Y178-R241 WeakPolarHBondContact O-CB 3.27Å; P180-R241 HydrophobicContact CG-CB 4.42Å; P180-R241 HydrophobicContact CG-CG 3.85Å; R237-R241 WeakPolarHBondContact O-CB 3.46Å; R237-R241 WeakPolarHBondContact O-CG 3.45Å; R237-R241 PolarHBondContact O-N 2.76Å; L238-R241 PolarHBondContact O-N 3.46Å; R241-L243 PolarHBondContact O-N 2.99Å; R241-F244 PolarHBondContact O-N 2.72Å; R241-C245 VanDerWaalsContact O-CB 3.31Å; R241-C245 WeakPolarHBondContact O-CB 3.27Å; R241-C245 PolarHBondContact O-N 2.97Å; R241-C245 PolarHBondContact O-SG 3.24Å
242Q94.9Very high94.6Very high5 Ų524.4 Ų24.42%0.02312%0.122CC..Hα-helixtrans-58.5-49.2177-176.9-177-23.400110.4N24 Y178 L238 F239 F244 C245 T246N24-Q242 WeakPolarHBondContact OD1-CG 3.3Å; N24-Q242 PolarHBondContact OD1-NE2 3.32Å; N24-Q242 VanDerWaalsContact OD1-NE2 3.1Å; Y178-Q242 HydrophobicContact CD1-CG 4.39Å; Y178-Q242 HydrophobicContact CD2-CB 3.99Å; Y178-Q242 HydrophobicContact CD2-CG 4.06Å; Y178-Q242 HydrophobicContact CE1-CG 4.08Å; Y178-Q242 HydrophobicContact CE2-CB 4.15Å; Y178-Q242 HydrophobicContact CE2-CG 3.71Å; Y178-Q242 HydrophobicContact CG-CB 4.24Å; Y178-Q242 HydrophobicContact CG-CG 4.4Å; L238-Q242 WeakPolarHBondContact O-CB 3.35Å; L238-Q242 PolarHBondContact O-N 3.43Å; F239-Q242 PolarHBondContact O-N 2.85Å; Q242-F244 VanDerWaalsContact C-N 3.34Å; Q242-F244 PolarHBondContact O-N 2.9Å; Q242-C245 CarbonylContact O-C 2.95Å; Q242-C245 PolarHBondContact O-N 3.25Å; Q242-T246 HydrophobicContact CG-CG2 4.28Å; Q242-T246 WeakPolarHBondContact O-CB 3.45Å; Q242-T246 WeakPolarHBondContact O-CG2 3.46Å; Q242-T246 PolarHBondContact O-N 2.81Å; Q242-T246 PolarHBondContact O-OG1 3.17Å
243L97.7Very high95Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-52.2-52.2179.1-177.1147.8000111.4L10 Y17 Q21 N24 F239 H240 R241 T246 L247 W250L10-L243 HydrophobicContact CD1-CD2 4.49Å; Y17-L243 HydrophobicContact CD2-CD1 4.03Å; Y17-L243 HydrophobicContact CD2-CD2 4.34Å; Y17-L243 HydrophobicContact CE2-CD1 3.74Å; Q21-L243 HydrophobicContact CB-CD1 4.42Å; N24-L243 HydrophobicContact CB-CB 4.33Å; N24-L243 HydrophobicContact CB-CD1 4.36Å; F239-L243 HydrophobicContact CE1-CD1 3.97Å; F239-L243 WeakPolarHBondContact O-CB 3.49Å; F239-L243 PolarHBondContact O-N 2.91Å; H240-L243 PolarHBondContact O-N 2.75Å; R241-L243 PolarHBondContact O-N 2.99Å; L243-T246 PolarHBondContact O-N 3.44Å; L243-T246 PolarHBondContact O-OG1 2.5Å; L243-L247 PolarHBondContact O-N 3.01Å; L243-W250 HydrophobicContact CD2-CH2 4.09Å; L243-W250 HydrophobicContact CD2-CZ2 3.65Å; L243-W250 HydrophobicContact CG-CZ2 3.89Å; L243-W250 VanDerWaalsContact O-CZ2 3.26Å; L243-W250 WeakPolarHBondContact O-CZ2 3.36Å; L243-W250 PolarHBondContact O-NE1 3.16Å
244F97.8Very high95.4Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-65.7-46179.8177.3-107.5000112.1P11 I149 P180 Y183 R190 L193 H240 R241 Q242 T246 L247P11-F244 HydrophobicContact CB-CE2 4.35Å; P11-F244 HydrophobicContact CG-CD2 3.4Å; P11-F244 VanDerWaalsContact CG-CD2 3.4Å; P11-F244 HydrophobicContact CG-CE2 3.21Å; P11-F244 HydrophobicContact CG-CG 4.38Å; P11-F244 HydrophobicContact CG-CZ 4.05Å; I149-F244 HydrophobicContact CD1-CB 4.1Å; I149-F244 HydrophobicContact CD1-CG 4.37Å; P180-F244 HydrophobicContact CB-CD1 3.73Å; P180-F244 HydrophobicContact CB-CE1 3.95Å; P180-F244 HydrophobicContact CG-CD1 4.25Å; Y183-F244 HydrophobicContact CD1-CD1 4.02Å; Y183-F244 AromaticContact CD1-CE1 3.68Å; Y183-F244 HydrophobicContact CD1-CE1 3.68Å; Y183-F244 HydrophobicContact CD1-CZ 4.13Å; Y183-F244 HydrophobicContact CE1-CE1 4.37Å; Y183-F244 HydrophobicContact CE1-CZ 4.49Å; Y183-F244 WeakPolarHBondContact CE1-O 3.34Å; R190-F244 HydrophobicContact CB-CE2 4.4Å; L193-F244 HydrophobicContact CD1-CD1 3.88Å; L193-F244 HydrophobicContact CD1-CE1 3.62Å; L193-F244 HydrophobicContact CD1-CE2 4.37Å; L193-F244 HydrophobicContact CD1-CG 4.34Å; L193-F244 HydrophobicContact CD1-CZ 3.89Å; L193-F244 HydrophobicContact CD2-CE1 4.2Å; L193-F244 HydrophobicContact CD2-CE2 4.42Å; L193-F244 HydrophobicContact CD2-CZ 3.79Å; L193-F244 HydrophobicContact CG-CD1 4.3Å; L193-F244 HydrophobicContact CG-CE1 3.54Å; L193-F244 HydrophobicContact CG-CZ 3.66Å; H240-F244 PolarHBondContact O-N 2.91Å; R241-F244 PolarHBondContact O-N 2.72Å; Q242-F244 VanDerWaalsContact C-N 3.34Å; Q242-F244 PolarHBondContact O-N 2.9Å; F244-T246 PolarHBondContact O-N 2.8Å; F244-T246 VanDerWaalsContact O-N 3.16Å; F244-L247 WeakPolarHBondContact O-CB 3.32Å; F244-L247 PolarHBondContact O-N 3.49Å; F244-L247 VanDerWaalsContact O-N 3.1Å
245C97.3Very high95.8Very high9 Ų928.3 Ų28.36%0.06115%0.145CC..Hα-helixtrans-75.3-1.2-177.3-58.50000114Y178 Y183 R241 Q242Y178-C245 HydrophobicContact CD1-CB 3.96Å; Y183-C245 HydrophobicContact CD1-CB 4.36Å; Y183-C245 HydrophobicContact CD2-CB 4.08Å; Y183-C245 WeakPolarHBondContact CD2-O 3.41Å; Y183-C245 WeakPolarHBondContact CE2-O 3.41Å; Y183-C245 HydrophobicContact CG-CB 3.93Å; R241-C245 VanDerWaalsContact O-CB 3.31Å; R241-C245 WeakPolarHBondContact O-CB 3.27Å; R241-C245 PolarHBondContact O-N 2.97Å; R241-C245 PolarHBondContact O-SG 3.24Å; Q242-C245 CarbonylContact O-C 2.95Å; Q242-C245 PolarHBondContact O-N 3.25Å
246T97.6Very high96.1Very high4 Ų431.4 Ų31.43%0.02516%0.158CC..THydrogen-bonded Turntrans-116.514.5170.763.50000112.5W23 Y178 Q242 L243 F244 D248 K249 W250W23-T246 HydrophobicContact CH2-CG2 4.13Å; W23-T246 HydrophobicContact CZ3-CG2 4.11Å; W23-T246 WeakPolarHBondContact CZ3-OG1 3.31Å; Y178-T246 HydrophobicContact CD1-CG2 4.4Å; Y178-T246 HydrophobicContact CE1-CG2 3.76Å; Q242-T246 HydrophobicContact CG-CG2 4.28Å; Q242-T246 WeakPolarHBondContact O-CB 3.45Å; Q242-T246 WeakPolarHBondContact O-CG2 3.46Å; Q242-T246 PolarHBondContact O-N 2.81Å; Q242-T246 PolarHBondContact O-OG1 3.17Å; L243-T246 PolarHBondContact O-N 3.44Å; L243-T246 PolarHBondContact O-OG1 2.5Å; F244-T246 PolarHBondContact O-N 2.8Å; F244-T246 VanDerWaalsContact O-N 3.16Å; T246-D248 PolarHBondContact O-N 2.92Å; T246-D248 VanDerWaalsContact O-N 3.14Å; T246-K249 HydrophobicContact CG2-CD 4.39Å; T246-K249 VanDerWaalsContact O-CB 3.27Å; T246-K249 WeakPolarHBondContact O-CB 3.26Å; T246-K249 PolarHBondContact O-N 3.39Å; T246-W250 PolarHBondContact O-NE1 3.35Å; T246-W250 PolarHBondContact OG1-NE1 3.48Å
247L98.4Very high96.3Very high0 Ų034.2 Ų34.20%017%0.173CC..G310 helixtrans-47.6-43.9-176.6176.664000113.4V12 Y183 T188 R190 L243 F244 K249 W250 C251V12-L247 HydrophobicContact CG1-CD1 4.37Å; Y183-L247 HydrophobicContact CE1-CB 4.34Å; Y183-L247 PolarHBondContact OH-N 2.83Å; T188-L247 HydrophobicContact CG2-CD2 4.45Å; T188-L247 WeakPolarHBondContact OG1-CD2 3.31Å; R190-L247 HydrophobicContact CB-CD2 4.4Å; R190-L247 VanDerWaalsContact CZ-CD2 3.43Å; R190-L247 VanDerWaalsContact NE-CD2 3.34Å; L243-L247 PolarHBondContact O-N 3.01Å; F244-L247 WeakPolarHBondContact O-CB 3.32Å; F244-L247 PolarHBondContact O-N 3.49Å; F244-L247 VanDerWaalsContact O-N 3.1Å; L247-K249 PolarHBondContact O-N 2.89Å; L247-K249 VanDerWaalsContact O-N 3.08Å; L247-W250 HydrophobicContact CB-CZ2 4.16Å; L247-W250 HydrophobicContact CD1-CE3 4.32Å; L247-W250 HydrophobicContact CD1-CH2 3.21Å; L247-W250 HydrophobicContact CD1-CZ2 3.44Å; L247-W250 VanDerWaalsContact CD1-CZ2 3.44Å; L247-W250 HydrophobicContact CD1-CZ3 3.69Å; L247-W250 HydrophobicContact CG-CZ2 4.42Å; L247-W250 PolarHBondContact O-N 3.06Å; L247-W250 VanDerWaalsContact O-N 3.14Å; L247-C251 HydrophobicContact CD1-CB 3.8Å; L247-C251 HydrophobicContact CG-CB 4.26Å; L247-C251 VanDerWaalsContact O-CB 3.31Å; L247-C251 WeakPolarHBondContact O-CB 3.38Å; L247-C251 PolarHBondContact O-N 3Å; L247-C251 PolarHBondContact O-SG 2.7Å
248D98.4Very high96.5Very high34 Ų3433.6 Ų33.618%0.18217%0.171CC..G310 helixtrans-62.7-19.9-179.4-73.2-11.3000113.9Y183 S185 V186 K187 T246Y183-D248 PolarHBondContact OH-N 3.09Å; S185-D248 WeakPolarHBondContact CA-OD1 3.09Å; S185-D248 VanDerWaalsContact CB-OD1 3.28Å; S185-D248 WeakPolarHBondContact CB-OD1 3.22Å; S185-D248 PolarHBondContact OG-OD1 3.23Å; V186-D248 PolarHBondContact N-OD1 3.27Å; V186-D248 PolarHBondContact N-OD2 3.42Å; K187-D248 WeakPolarHBondContact CB-OD1 3.31Å; K187-D248 HydrophobicContact CD-CB 4.23Å; K187-D248 WeakPolarHBondContact CD-O 3.19Å; K187-D248 VanDerWaalsContact CE-O 3.26Å; K187-D248 WeakPolarHBondContact CE-O 3.48Å; K187-D248 HydrophobicContact CG-CB 4.32Å; K187-D248 PolarHBondContact N-OD1 3.44Å; K187-D248 PolarHBondContact NZ-O 2.79Å; T246-D248 PolarHBondContact O-N 2.92Å; T246-D248 VanDerWaalsContact O-N 3.14Å
249K98.1Very high96.6Very high124 Ų12436.7 Ų36.754%0.53918%0.182SC..G310 helixtrans-81.4-20.1-179.5-60.1-172176.1-175.80113.3W23 T246 L247 M253W23-K249 HydrophobicContact CH2-CB 4.01Å; W23-K249 HydrophobicContact CH2-CD 3.65Å; W23-K249 HydrophobicContact CH2-CG 4.45Å; W23-K249 HydrophobicContact CZ2-CB 3.64Å; W23-K249 HydrophobicContact CZ2-CD 3.73Å; W23-K249 HydrophobicContact CZ2-CG 4.35Å; T246-K249 HydrophobicContact CG2-CD 4.39Å; T246-K249 VanDerWaalsContact O-CB 3.27Å; T246-K249 WeakPolarHBondContact O-CB 3.26Å; T246-K249 PolarHBondContact O-N 3.39Å; L247-K249 PolarHBondContact O-N 2.89Å; L247-K249 VanDerWaalsContact O-N 3.08Å; K249-M253 WeakPolarHBondContact O-CE 3.45Å
250W97.8Very high96.6Very high1 Ų138.6 Ų38.60%0.00420%0.202CC..THydrogen-bonded Turntrans-137-10.9-169.358.4-105.2000114.6V12 E16 W23 L243 T246 L247 D252 M253V12-W250 HydrophobicContact CG1-CH2 4.14Å; E16-W250 HydrophobicContact CB-CZ3 4.04Å; E16-W250 VanDerWaalsContact O-CZ3 3.31Å; E16-W250 WeakPolarHBondContact O-CZ3 3.39Å; W23-W250 HydrophobicContact CB-CB 3.97Å; W23-W250 HydrophobicContact CB-CG 4.35Å; W23-W250 HydrophobicContact CD2-CB 3.88Å; W23-W250 AromaticContact CD2-CD1 3.76Å; W23-W250 HydrophobicContact CD2-CG 4.12Å; W23-W250 HydrophobicContact CE3-CB 4.45Å; W23-W250 AromaticContact CE3-CD1 3.44Å; W23-W250 VanDerWaalsContact CE3-CD1 3.44Å; W23-W250 HydrophobicContact CE3-CG 4.19Å; W23-W250 HydrophobicContact CG-CB 3.63Å; W23-W250 HydrophobicContact CG-CG 4.19Å; W23-W250 AromaticContact CZ3-CD1 3.89Å; L243-W250 HydrophobicContact CD2-CH2 4.09Å; L243-W250 HydrophobicContact CD2-CZ2 3.65Å; L243-W250 HydrophobicContact CG-CZ2 3.89Å; L243-W250 VanDerWaalsContact O-CZ2 3.26Å; L243-W250 WeakPolarHBondContact O-CZ2 3.36Å; L243-W250 PolarHBondContact O-NE1 3.16Å; T246-W250 PolarHBondContact O-NE1 3.35Å; T246-W250 PolarHBondContact OG1-NE1 3.48Å; L247-W250 HydrophobicContact CB-CZ2 4.16Å; L247-W250 HydrophobicContact CD1-CE3 4.32Å; L247-W250 HydrophobicContact CD1-CH2 3.21Å; L247-W250 HydrophobicContact CD1-CZ2 3.44Å; L247-W250 VanDerWaalsContact CD1-CZ2 3.44Å; L247-W250 HydrophobicContact CD1-CZ3 3.69Å; L247-W250 HydrophobicContact CG-CZ2 4.42Å; L247-W250 PolarHBondContact O-N 3.06Å; L247-W250 VanDerWaalsContact O-N 3.14Å; W250-D252 PolarHBondContact O-N 3.18Å; W250-M253 HydrophobicContact CB-SD 3.97Å; W250-M253 WeakPolarHBondContact O-CB 3.44Å; W250-M253 PolarHBondContact O-N 2.82Å
251C97.5Very high96.4Very high19 Ų1941 Ų4113%0.12821%0.214CC..THydrogen-bonded Turntrans-60.8-28.3-175.362.60000114.6K187 T188 L247K187-C251 VanDerWaalsContact CD-SG 3.56Å; T188-C251 HydrophobicContact CG2-CB 4.47Å; L247-C251 HydrophobicContact CD1-CB 3.8Å; L247-C251 HydrophobicContact CG-CB 4.26Å; L247-C251 VanDerWaalsContact O-CB 3.31Å; L247-C251 WeakPolarHBondContact O-CB 3.38Å; L247-C251 PolarHBondContact O-N 3Å; L247-C251 PolarHBondContact O-SG 2.7Å
252D97.2Very high96.2Very high109 Ų10941.7 Ų41.758%0.58322%0.217SC*.THydrogen-bonded Turntrans-97.63.2-180-47.4-38.1000112.7K187 W250K187-D252 VanDerWaalsContact CD-OD2 3.26Å; K187-D252 WeakPolarHBondContact CD-OD2 3.48Å; K187-D252 VanDerWaalsContact CE-OD2 3.31Å; K187-D252 WeakPolarHBondContact CE-OD2 3.27Å; K187-D252 IonicContact NZ-OD2 3.84Å; K187-D252 PolarHBondContact NZ-OD2 2.9Å; W250-D252 PolarHBondContact O-N 3.18Å
253M98Very high95.9Very high56 Ų5647.3 Ų47.328%0.27625%0.247SC..  trans-78.6145.1-179.6-70.1177.4169.700111.2V19 W23 K249 W250 D257 I258 M261V19-M253 HydrophobicContact CG1-CB 3.75Å; V19-M253 WeakPolarHBondContact CG1-O 3.16Å; W23-M253 HydrophobicContact CG-SD 4.42Å; K249-M253 WeakPolarHBondContact O-CE 3.45Å; W250-M253 HydrophobicContact CB-SD 3.97Å; W250-M253 WeakPolarHBondContact O-CB 3.44Å; W250-M253 PolarHBondContact O-N 2.82Å; M253-D257 HydrophobicContact CB-CB 4.31Å; M253-I258 HydrophobicContact SD-CD1 4.14Å; M253-M261 HydrophobicContact CE-SD 4.09Å; M253-M261 HydrophobicContact SD-SD 4.11Å
254T97.4Very high95.4Very high63 Ų6352.4 Ų52.439%0.38727%0.27SS..  trans-87.6167.6170.964.80000111.1E256 D257 I258T254-E256 WeakPolarHBondContact CB-OE2 3.48Å; T254-E256 PolarHBondContact O-N 3.39Å; T254-E256 PolarHBondContact OG1-N 2.96Å; T254-D257 WeakPolarHBondContact CB-OD2 3.38Å; T254-D257 PolarHBondContact N-OD2 3.06Å; T254-D257 PolarHBondContact O-N 3.42Å; T254-D257 PolarHBondContact OG1-N 3.09Å; T254-D257 VanDerWaalsContact OG1-N 3.09Å; T254-D257 PolarHBondContact OG1-OD2 2.76Å; T254-I258 WeakPolarHBondContact O-CG1 3.41Å; T254-I258 PolarHBondContact O-N 3.29Å
255I95.2Very high94.7Very high39 Ų3952.5 Ų52.520%0.227%0.272CS..Hα-helixtrans-66.5-29.7172.5-168.759.7000110.9L22 I258 R259L22-I255 HydrophobicContact CD1-CD1 3.47Å; L22-I255 VanDerWaalsContact CD1-CD1 3.47Å; I255-I258 HydrophobicContact CD1-CB 4.42Å; I255-I258 WeakPolarHBondContact O-CB 3.37Å; I255-I258 PolarHBondContact O-N 2.97Å; I255-R259 WeakPolarHBondContact O-CG 3.45Å; I255-R259 PolarHBondContact O-N 3.32Å
256E95.4Very high94.1Very high129 Ų12955 Ų5560%0.60328%0.281SS*.Hα-helixtrans-64-44.3175.1-68.466.9-149.100111.6T254 I258 R259 A260T254-E256 WeakPolarHBondContact CB-OE2 3.48Å; T254-E256 PolarHBondContact O-N 3.39Å; T254-E256 PolarHBondContact OG1-N 2.96Å; E256-I258 VanDerWaalsContact C-N 3.27Å; E256-I258 PolarHBondContact O-N 2.94Å; E256-R259 PolarHBondContact O-N 2.99Å; E256-R259 VanDerWaalsContact O-N 3.12Å; E256-A260 PolarHBondContact O-N 2.7Å
257D96.8Very high93.5Very high74 Ų7458 Ų5840%0.39630%0.3SS..Hα-helixtrans-57.5-44.2173.9-62.9-47.6000110.7M253 T254 R259 A260 M261M253-D257 HydrophobicContact CB-CB 4.31Å; T254-D257 WeakPolarHBondContact CB-OD2 3.38Å; T254-D257 PolarHBondContact N-OD2 3.06Å; T254-D257 PolarHBondContact O-N 3.42Å; T254-D257 PolarHBondContact OG1-N 3.09Å; T254-D257 VanDerWaalsContact OG1-N 3.09Å; T254-D257 PolarHBondContact OG1-OD2 2.76Å; D257-R259 PolarHBondContact O-N 3.48Å; D257-A260 PolarHBondContact O-N 3.34Å; D257-M261 WeakPolarHBondContact O-CG 3.05Å; D257-M261 PolarHBondContact O-N 3.1Å
258I95.7Very high92.8Very high0 Ų061.1 Ų61.10%032%0.317CS..Hα-helixtrans-61.9-42.2176.5-64.5-57.6000111.6V19 L22 W23 M26 M253 T254 I255 E256 A260 M261 E262V19-I258 HydrophobicContact CG1-CD1 3.98Å; V19-I258 HydrophobicContact CG1-CG1 3.71Å; L22-I258 HydrophobicContact CB-CG2 3.5Å; L22-I258 VanDerWaalsContact CB-CG2 3.5Å; L22-I258 HydrophobicContact CD1-CG2 3.8Å; L22-I258 HydrophobicContact CG-CG2 4.29Å; W23-I258 HydrophobicContact CB-CD1 3.74Å; W23-I258 HydrophobicContact CG-CD1 4.38Å; M26-I258 HydrophobicContact CE-CD1 3.98Å; M26-I258 HydrophobicContact CE-CG2 4.04Å; M253-I258 HydrophobicContact SD-CD1 4.14Å; T254-I258 WeakPolarHBondContact O-CG1 3.41Å; T254-I258 PolarHBondContact O-N 3.29Å; I255-I258 HydrophobicContact CD1-CB 4.42Å; I255-I258 WeakPolarHBondContact O-CB 3.37Å; I255-I258 PolarHBondContact O-N 2.97Å; E256-I258 VanDerWaalsContact C-N 3.27Å; E256-I258 PolarHBondContact O-N 2.94Å; I258-A260 VanDerWaalsContact C-N 3.34Å; I258-A260 PolarHBondContact O-N 3.32Å; I258-M261 HydrophobicContact CD1-SD 4.39Å; I258-M261 PolarHBondContact O-N 3.3Å; I258-E262 HydrophobicContact CG2-CG 4.26Å; I258-E262 WeakPolarHBondContact O-CB 3.49Å; I258-E262 WeakPolarHBondContact O-CG 3.42Å; I258-E262 PolarHBondContact O-N 2.88Å
259R93.4Very high91.9Very high78 Ų7859.9 Ų59.929%0.29431%0.31SS..Hα-helixtrans-64.6-38.5177.4-65.4-50.2175.9-157.7-7.1112.3I255 E256 D257 E262 L263I255-R259 WeakPolarHBondContact O-CG 3.45Å; I255-R259 PolarHBondContact O-N 3.32Å; E256-R259 PolarHBondContact O-N 2.99Å; E256-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 PolarHBondContact O-N 3.48Å; R259-E262 WeakPolarHBondContact CD-OE2 3.24Å; R259-E262 IonicContact CZ-OE2 3.19Å; R259-E262 IonicContact NE-OE2 2.77Å; R259-E262 IonicContact NH1-OE1 3.49Å; R259-E262 PolarHBondContact NH1-OE1 2.74Å; R259-E262 IonicContact NH1-OE2 2.74Å; R259-E262 PolarHBondContact NH1-OE2 3.31Å; R259-E262 PolarHBondContact O-N 2.95Å; R259-L263 PolarHBondContact O-N 2.77Å; R259-L263 VanDerWaalsContact O-N 3.13Å
260A93.2Very high90.9Very high65 Ų6556.1 Ų56.154%0.53730%0.296SS..Hα-helixtrans-62.8-43.4173.500000111.5E256 D257 I258 L263 Q264E256-A260 PolarHBondContact O-N 2.7Å; D257-A260 PolarHBondContact O-N 3.34Å; I258-A260 VanDerWaalsContact C-N 3.34Å; I258-A260 PolarHBondContact O-N 3.32Å; A260-L263 PolarHBondContact O-N 3.03Å; A260-Q264 PolarHBondContact O-N 2.98Å
261M92.3Very high90.1Very high50 Ų5060.7 Ų60.725%0.24632%0.317CS..Hα-helixtrans-65.3-40.1176.2-70.2178.869.300113.1M26 M253 D257 I258 L263 Q264 A265M26-M261 HydrophobicContact CE-CB 3.64Å; M26-M261 HydrophobicContact CE-CE 4.01Å; M26-M261 HydrophobicContact CE-SD 4.2Å; M26-M261 VanDerWaalsContact SD-C 3.59Å; M26-M261 HydrophobicContact SD-CB 3.7Å; M253-M261 HydrophobicContact CE-SD 4.09Å; M253-M261 HydrophobicContact SD-SD 4.11Å; D257-M261 WeakPolarHBondContact O-CG 3.05Å; D257-M261 PolarHBondContact O-N 3.1Å; I258-M261 HydrophobicContact CD1-SD 4.39Å; I258-M261 PolarHBondContact O-N 3.3Å; M261-L263 VanDerWaalsContact C-N 3.31Å; M261-L263 PolarHBondContact O-N 3.23Å; M261-Q264 PolarHBondContact O-N 2.69Å; M261-A265 WeakPolarHBondContact O-CB 3.22Å; M261-A265 PolarHBondContact O-N 3.49Å
262E89.8Confident88.9Confident17 Ų1762.7 Ų62.78%0.07933%0.329CS..Hα-helixtrans-64.1-37.3178.3-80.1-179168.700111.8M26 N44 I258 R259 A265 K266M26-E262 HydrophobicContact CE-CG 4.29Å; M26-E262 HydrophobicContact CG-CG 4.13Å; M26-E262 VanDerWaalsContact SD-CA 3.57Å; M26-E262 HydrophobicContact SD-CB 4.09Å; M26-E262 HydrophobicContact SD-CG 3.48Å; M26-E262 WeakPolarHBondContact SD-CG 3.46Å; M26-E262 PolarHBondContact SD-N 2.97Å; M26-E262 VanDerWaalsContact SD-N 3.4Å; N44-E262 PolarHBondContact ND2-OE2 3.45Å; N44-E262 VanDerWaalsContact ND2-OE2 3.09Å; I258-E262 HydrophobicContact CG2-CG 4.26Å; I258-E262 WeakPolarHBondContact O-CB 3.49Å; I258-E262 WeakPolarHBondContact O-CG 3.42Å; I258-E262 PolarHBondContact O-N 2.88Å; R259-E262 WeakPolarHBondContact CD-OE2 3.24Å; R259-E262 IonicContact CZ-OE2 3.19Å; R259-E262 IonicContact NE-OE2 2.77Å; R259-E262 IonicContact NH1-OE1 3.49Å; R259-E262 PolarHBondContact NH1-OE1 2.74Å; R259-E262 IonicContact NH1-OE2 2.74Å; R259-E262 PolarHBondContact NH1-OE2 3.31Å; R259-E262 PolarHBondContact O-N 2.95Å; E262-A265 PolarHBondContact O-N 3.32Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 PolarHBondContact O-N 3.26Å
263L87.9Confident87.5Confident122 Ų12258.3 Ų58.364%0.63931%0.306SS*.Hα-helixtrans-62.4-45.9174.9-178.361.9000111R259 A260 M261 K266 T267R259-L263 PolarHBondContact O-N 2.77Å; R259-L263 VanDerWaalsContact O-N 3.13Å; A260-L263 PolarHBondContact O-N 3.03Å; M261-L263 VanDerWaalsContact C-N 3.31Å; M261-L263 PolarHBondContact O-N 3.23Å; L263-K266 PolarHBondContact O-N 2.82Å; L263-T267 PolarHBondContact O-N 3.33Å; L263-T267 PolarHBondContact O-OG1 3.45Å
264Q87.6Confident86Confident107 Ų10759 Ų5950%0.532%0.316SS..Hα-helixtrans-64.2-45.7175.9-173.760.942.200111.6A260 M261 K266 T267 D268A260-Q264 PolarHBondContact O-N 2.98Å; M261-Q264 PolarHBondContact O-N 2.69Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 3.1Å; Q264-T267 WeakPolarHBondContact O-CB 3.29Å; Q264-T267 PolarHBondContact O-N 3.36Å; Q264-T267 VanDerWaalsContact O-N 3.13Å; Q264-D268 PolarHBondContact NE2-OD1 2.92Å; Q264-D268 PolarHBondContact O-N 3.2Å
265A84.1Confident84.3Confident3 Ų362 Ų623%0.02532%0.324CS..Hα-helixtrans-62.6-35.9-179.300000112.5M26 M261 E262 T267 D268 L269M26-A265 HydrophobicContact SD-CB 4.38Å; M261-A265 WeakPolarHBondContact O-CB 3.22Å; M261-A265 PolarHBondContact O-N 3.49Å; E262-A265 PolarHBondContact O-N 3.32Å; A265-T267 VanDerWaalsContact C-N 3.34Å; A265-D268 PolarHBondContact O-N 2.73Å; A265-L269 VanDerWaalsContact O-CB 3.24Å; A265-L269 WeakPolarHBondContact O-CB 3.36Å; A265-L269 WeakPolarHBondContact O-CD1 3.42Å; A265-L269 VanDerWaalsContact O-CG 3.22Å; A265-L269 WeakPolarHBondContact O-CG 3.41Å; A265-L269 PolarHBondContact O-N 3.27Å
266K83.9Confident82.7Confident61 Ų6161.7 Ų61.727%0.26532%0.323SS..Hα-helixtrans-58.9-46.1173.8-178.3176-174.7179.40111.1I41 L42 E262 L263 Q264 N270I41-K266 HydrophobicContact CB-CG 4.11Å; I41-K266 HydrophobicContact CG2-CB 4.44Å; I41-K266 HydrophobicContact CG2-CD 4.16Å; I41-K266 HydrophobicContact CG2-CG 4Å; I41-K266 WeakPolarHBondContact O-CE 3.18Å; L42-K266 PolarHBondContact O-NZ 3.16Å; L42-K266 VanDerWaalsContact O-NZ 3.1Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 PolarHBondContact O-N 3.26Å; L263-K266 PolarHBondContact O-N 2.82Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 3.1Å; K266-N270 VanDerWaalsContact O-CB 3.26Å; K266-N270 WeakPolarHBondContact O-CB 3.42Å; K266-N270 PolarHBondContact O-N 2.67Å; K266-N270 VanDerWaalsContact O-N 3.14Å; K266-N270 PolarHBondContact O-ND2 3.07Å
267T84.7Confident80.7Confident67 Ų6757.7 Ų57.741%0.41132%0.317SS..Hα-helixtrans-62.7-53177.8-550000110.9L263 Q264 A265 L269 N270 E271L263-T267 PolarHBondContact O-N 3.33Å; L263-T267 PolarHBondContact O-OG1 3.45Å; Q264-T267 WeakPolarHBondContact O-CB 3.29Å; Q264-T267 PolarHBondContact O-N 3.36Å; Q264-T267 VanDerWaalsContact O-N 3.13Å; A265-T267 VanDerWaalsContact C-N 3.34Å; T267-L269 PolarHBondContact O-N 2.89Å; T267-N270 PolarHBondContact O-N 2.73Å; T267-E271 WeakPolarHBondContact O-CG 3.43Å; T267-E271 PolarHBondContact O-N 3.08Å
268D84.5Confident78.4Confident66 Ų6658.1 Ų58.135%0.35332%0.322SS..Hα-helixtrans-61.7-45.1-176.2-62.5-14.9000112.4Q264 A265 E271 V272Q264-D268 PolarHBondContact NE2-OD1 2.92Å; Q264-D268 PolarHBondContact O-N 3.2Å; A265-D268 PolarHBondContact O-N 2.73Å; D268-E271 PolarHBondContact O-N 2.69Å; D268-V272 WeakPolarHBondContact O-CG2 3.26Å; D268-V272 PolarHBondContact O-N 3.47Å; D268-V272 VanDerWaalsContact O-N 3.1Å
269L79.4Confident76Confident8 Ų862.8 Ų62.84%0.04235%0.346CS..Hα-helixtrans-68.2-39-178.7-71.7169.9000111.9T33 I41 A265 T267 V272 S273T33-L269 HydrophobicContact CG2-CD2 3.81Å; I41-L269 HydrophobicContact CD1-CD1 3.72Å; I41-L269 HydrophobicContact CG1-CD1 4.3Å; A265-L269 VanDerWaalsContact O-CB 3.24Å; A265-L269 WeakPolarHBondContact O-CB 3.36Å; A265-L269 WeakPolarHBondContact O-CD1 3.42Å; A265-L269 VanDerWaalsContact O-CG 3.22Å; A265-L269 WeakPolarHBondContact O-CG 3.41Å; A265-L269 PolarHBondContact O-N 3.27Å; T267-L269 PolarHBondContact O-N 2.89Å; L269-V272 PolarHBondContact O-N 3.29Å; L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 2.96Å
270N78.1Confident73.7Confident45 Ų4562.8 Ų62.824%0.24136%0.355CS..Hα-helixtrans-72.1-33.4178.7-70.7-2.2000111.7I41 K266 T267 S273 S274I41-N270 PolarHBondContact N-OD1 2.78Å; I41-N270 PolarHBondContact O-ND2 3.28Å; I41-N270 PolarHBondContact O-OD1 2.91Å; K266-N270 VanDerWaalsContact O-CB 3.26Å; K266-N270 WeakPolarHBondContact O-CB 3.42Å; K266-N270 PolarHBondContact O-N 2.67Å; K266-N270 VanDerWaalsContact O-N 3.14Å; K266-N270 PolarHBondContact O-ND2 3.07Å; T267-N270 PolarHBondContact O-N 2.73Å; N270-S273 PolarHBondContact O-N 3.38Å; N270-S274 VanDerWaalsContact O-CB 3.23Å; N270-S274 WeakPolarHBondContact O-CB 3.43Å; N270-S274 PolarHBondContact O-N 3.09Å; N270-S274 PolarHBondContact O-OG 2.85Å
271E79.8Confident71.2Confident96 Ų9665.6 Ų65.645%0.44936%0.355SS..Hα-helixtrans-63.2-42.9170.4-78.4-168.7-162.700112.4T267 D268 S274 K275T267-E271 WeakPolarHBondContact O-CG 3.43Å; T267-E271 PolarHBondContact O-N 3.08Å; D268-E271 PolarHBondContact O-N 2.69Å; E271-S274 WeakPolarHBondContact CA-OG 3.03Å; E271-S274 PolarHBondContact O-OG 3.13Å; E271-K275 WeakPolarHBondContact O-CB 3.36Å; E271-K275 WeakPolarHBondContact O-CD 3.07Å; E271-K275 VanDerWaalsContact O-CG 3.25Å; E271-K275 WeakPolarHBondContact O-CG 3.38Å; E271-K275 PolarHBondContact O-N 2.71Å; E271-K275 IonicContact OE2-NZ 3.7Å
272V73Confident68.6Low62 Ų6269.4 Ų69.438%0.37637%0.37SS..Hα-helixtrans-66.2-46175.6175.60000110T33 D268 L269 L276T33-V272 HydrophobicContact CG2-CB 4.45Å; T33-V272 HydrophobicContact CG2-CG1 3.93Å; D268-V272 WeakPolarHBondContact O-CG2 3.26Å; D268-V272 PolarHBondContact O-N 3.47Å; D268-V272 VanDerWaalsContact O-N 3.1Å; L269-V272 PolarHBondContact O-N 3.29Å; V272-L276 HydrophobicContact CG1-CD1 4.06Å; V272-L276 WeakPolarHBondContact O-CG 3.49Å; V272-L276 PolarHBondContact O-N 3.46Å
273S67.7Low66.3Low16 Ų1677.4 Ų77.411%0.11240%0.4CS..Hα-helixtrans-63.7-43.4-179.7-166.20000113L269 N270 L276 G277L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 2.96Å; N270-S273 PolarHBondContact O-N 3.38Å; S273-L276 WeakPolarHBondContact O-CA 3.42Å; S273-L276 VanDerWaalsContact O-CB 3.32Å; S273-L276 WeakPolarHBondContact O-CB 3.22Å; S273-L276 PolarHBondContact O-N 2.89Å; S273-L276 VanDerWaalsContact O-N 3.08Å; S273-G277 PolarHBondContact O-N 2.75Å
274S66.5Low63.8Low70 Ų7078.2 Ų78.249%0.4940%0.398SS..Hα-helixtrans-64.6-43.8178.758.10000112.5N270 E271 L276 G277 V278N270-S274 VanDerWaalsContact O-CB 3.23Å; N270-S274 WeakPolarHBondContact O-CB 3.43Å; N270-S274 PolarHBondContact O-N 3.09Å; N270-S274 PolarHBondContact O-OG 2.85Å; E271-S274 WeakPolarHBondContact CA-OG 3.03Å; E271-S274 PolarHBondContact O-OG 3.13Å; S274-L276 PolarHBondContact O-N 2.67Å; S274-G277 PolarHBondContact O-N 2.98Å; S274-G277 VanDerWaalsContact O-N 3.17Å; S274-V278 PolarHBondContact O-N 3.48Å
275K61.7Low61.3Low128 Ų12879.6 Ų79.656%0.55740%0.4SS*.Hα-helixtrans-58.1-32.6172.5-73.3169.4-175.2160.40111.5E271 L279E271-K275 WeakPolarHBondContact O-CB 3.36Å; E271-K275 WeakPolarHBondContact O-CD 3.07Å; E271-K275 VanDerWaalsContact O-CG 3.25Å; E271-K275 WeakPolarHBondContact O-CG 3.38Å; E271-K275 PolarHBondContact O-N 2.71Å; E271-K275 IonicContact OE2-NZ 3.7Å; K275-L279 WeakPolarHBondContact O-CG 3.47Å; K275-L279 PolarHBondContact O-N 3.35Å
276L60.9Low59.3Low31 Ų3186.9 Ų86.916%0.16243%0.433CS..Hα-helixtrans-74.4-38.8176.5-66.1169.9000113G36 V272 S273 S274 V278 L279 T280G36-L276 VanDerWaalsContact N-CD2 3.34Å; V272-L276 HydrophobicContact CG1-CD1 4.06Å; V272-L276 WeakPolarHBondContact O-CG 3.49Å; V272-L276 PolarHBondContact O-N 3.46Å; S273-L276 WeakPolarHBondContact O-CA 3.42Å; S273-L276 VanDerWaalsContact O-CB 3.32Å; S273-L276 WeakPolarHBondContact O-CB 3.22Å; S273-L276 PolarHBondContact O-N 2.89Å; S273-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact O-N 2.67Å; L276-V278 PolarHBondContact O-N 2.85Å; L276-L279 HydrophobicContact CD2-CD1 4.38Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-L279 VanDerWaalsContact O-N 3.16Å; L276-T280 PolarHBondContact O-N 2.83Å; L276-T280 PolarHBondContact O-OG1 3.08Å; L276-T280 VanDerWaalsContact O-OG1 3.04Å
277G53.7Low57.3Low46 Ų4692.6 Ų92.647%0.47446%0.458SS..Hα-helixtrans-54.9-42.1172.800000112.2S273 S274 F281S273-G277 PolarHBondContact O-N 2.75Å; S274-G277 PolarHBondContact O-N 2.98Å; S274-G277 VanDerWaalsContact O-N 3.17Å; G277-F281 WeakPolarHBondContact O-CB 3.41Å; G277-F281 PolarHBondContact O-N 2.9Å
278V48.4Very low54.8Low83 Ų8393.4 Ų93.450%0.50346%0.459SS..Hα-helixtrans-68.5-39.2176.6179.40000112.5S274 L276 F281 K282S274-V278 PolarHBondContact O-N 3.48Å; L276-V278 PolarHBondContact O-N 2.85Å; V278-F281 PolarHBondContact O-N 3.01Å; V278-K282 WeakPolarHBondContact O-CG 3.48Å; V278-K282 PolarHBondContact O-N 3.3Å
279L46Very low52.7Low98 Ų9895 Ų9551%0.51347%0.474SS..Hα-helixtrans-69.4-39177.9-80.5162000112.5K275 L276 K282 R283K275-L279 WeakPolarHBondContact O-CG 3.47Å; K275-L279 PolarHBondContact O-N 3.35Å; L276-L279 HydrophobicContact CD2-CD1 4.38Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-L279 VanDerWaalsContact O-N 3.16Å; L279-K282 PolarHBondContact O-N 3.43Å; L279-R283 PolarHBondContact O-N 3.42Å
280T44.7Very low50.9Low77 Ų77103 Ų10347%0.47252%0.515SS..Hα-helixtrans-67.1-39.9174.9-53.30000110.7L276 R283 F284L276-T280 PolarHBondContact O-N 2.83Å; L276-T280 PolarHBondContact O-OG1 3.08Å; L276-T280 VanDerWaalsContact O-OG1 3.04Å; T280-R283 PolarHBondContact O-N 2.98Å; T280-F284 WeakPolarHBondContact O-CB 3.5Å; T280-F284 PolarHBondContact O-N 2.95Å
281F41.4Very low49Very low125 Ų125108.7 Ų108.755%0.54855%0.545SS..Hα-helixtrans-59.2-49.2171.2-164.6-95.8000111.4G277 V278 R283 F284 Y285G277-F281 WeakPolarHBondContact O-CB 3.41Å; G277-F281 PolarHBondContact O-N 2.9Å; V278-F281 PolarHBondContact O-N 3.01Å; F281-R283 PolarHBondContact O-N 2.92Å; F281-F284 WeakPolarHBondContact O-CB 3.48Å; F281-F284 PolarHBondContact O-N 2.98Å; F281-Y285 AromaticContact CD1-CD2 3.8Å; F281-Y285 HydrophobicContact CD1-CD2 3.8Å; F281-Y285 AromaticContact CD1-CE2 3.84Å; F281-Y285 HydrophobicContact CD1-CE2 3.84Å; F281-Y285 HydrophobicContact CD2-CD2 4.48Å; F281-Y285 HydrophobicContact CD2-CE2 4.06Å; F281-Y285 AromaticContact CE1-CD2 3.66Å; F281-Y285 HydrophobicContact CE1-CD2 3.66Å; F281-Y285 AromaticContact CE1-CE2 3.29Å; F281-Y285 HydrophobicContact CE1-CE2 3.29Å; F281-Y285 AromaticContact CE1-CZ 4Å; F281-Y285 HydrophobicContact CE2-CD2 4.37Å; F281-Y285 AromaticContact CE2-CE2 3.55Å; F281-Y285 HydrophobicContact CE2-CE2 3.55Å; F281-Y285 HydrophobicContact CG-CD2 4.23Å; F281-Y285 HydrophobicContact CG-CE2 4.2Å; F281-Y285 AromaticContact CZ-CD2 3.98Å; F281-Y285 HydrophobicContact CZ-CD2 3.98Å; F281-Y285 AromaticContact CZ-CE2 3.15Å; F281-Y285 HydrophobicContact CZ-CE2 3.15Å; F281-Y285 AromaticContact CZ-CZ 3.71Å; F281-Y285 WeakPolarHBondContact O-CD2 3.19Å; F281-Y285 PolarHBondContact O-N 3.16Å
282K36.1Very low47Very low129 Ų129107.1 Ų107.156%0.56156%0.555SS**Hα-helixtrans-60-42.8176.3-78.4-176.4177.1-178.50113.2V278 L279 F284 Y285 Q286V278-K282 WeakPolarHBondContact O-CG 3.48Å; V278-K282 PolarHBondContact O-N 3.3Å; L279-K282 PolarHBondContact O-N 3.43Å; K282-F284 VanDerWaalsContact C-N 3.35Å; K282-Y285 PolarHBondContact O-N 3.49Å; K282-Q286 WeakPolarHBondContact O-CB 3.34Å; K282-Q286 VanDerWaalsContact O-CG 3.31Å; K282-Q286 WeakPolarHBondContact O-CG 3.4Å; K282-Q286 PolarHBondContact O-N 3.02Å
283R41.4Very low45.2Very low186 Ų186114.2 Ų114.270%0.70258%0.58SS**Hα-helixtrans-66.5-35.1176.4-81.6-175.8172.8-178-0.4112.8L279 T280 F281 K287L279-R283 PolarHBondContact O-N 3.42Å; T280-R283 PolarHBondContact O-N 2.98Å; F281-R283 PolarHBondContact O-N 2.92Å; R283-K287 PolarHBondContact O-N 3.21Å; R283-K287 VanDerWaalsContact O-N 3.16Å
284F36.9Very low44Very low138 Ų138123.2 Ų123.261%0.60562%0.618SS**Hα-helixtrans-64.6-47.3175.2-173.9-99.7000110.8T280 F281 K282 Q286 K287 L288T280-F284 WeakPolarHBondContact O-CB 3.5Å; T280-F284 PolarHBondContact O-N 2.95Å; F281-F284 WeakPolarHBondContact O-CB 3.48Å; F281-F284 PolarHBondContact O-N 2.98Å; K282-F284 VanDerWaalsContact C-N 3.35Å; F284-Q286 PolarHBondContact O-N 3.04Å; F284-K287 PolarHBondContact O-N 3.23Å; F284-K287 VanDerWaalsContact O-N 3.15Å; F284-L288 HydrophobicContact CD1-CD1 3.91Å; F284-L288 HydrophobicContact CE1-CD1 3.74Å; F284-L288 HydrophobicContact CZ-CD1 4.49Å; F284-L288 PolarHBondContact O-N 2.91Å
285Y35.2Very low43.1Very low137 Ų137128.6 Ų128.654%0.53766%0.655SS.*Hα-helixtrans-67.6-31.1176.5-84.7-94000113.8F281 K282 K287F281-Y285 AromaticContact CD1-CD2 3.8Å; F281-Y285 HydrophobicContact CD1-CD2 3.8Å; F281-Y285 AromaticContact CD1-CE2 3.84Å; F281-Y285 HydrophobicContact CD1-CE2 3.84Å; F281-Y285 HydrophobicContact CD2-CD2 4.48Å; F281-Y285 HydrophobicContact CD2-CE2 4.06Å; F281-Y285 AromaticContact CE1-CD2 3.66Å; F281-Y285 HydrophobicContact CE1-CD2 3.66Å; F281-Y285 AromaticContact CE1-CE2 3.29Å; F281-Y285 HydrophobicContact CE1-CE2 3.29Å; F281-Y285 AromaticContact CE1-CZ 4Å; F281-Y285 HydrophobicContact CE2-CD2 4.37Å; F281-Y285 AromaticContact CE2-CE2 3.55Å; F281-Y285 HydrophobicContact CE2-CE2 3.55Å; F281-Y285 HydrophobicContact CG-CD2 4.23Å; F281-Y285 HydrophobicContact CG-CE2 4.2Å; F281-Y285 AromaticContact CZ-CD2 3.98Å; F281-Y285 HydrophobicContact CZ-CD2 3.98Å; F281-Y285 AromaticContact CZ-CE2 3.15Å; F281-Y285 HydrophobicContact CZ-CE2 3.15Å; F281-Y285 AromaticContact CZ-CZ 3.71Å; F281-Y285 WeakPolarHBondContact O-CD2 3.19Å; F281-Y285 PolarHBondContact O-N 3.16Å; K282-Y285 PolarHBondContact O-N 3.49Å; Y285-K287 VanDerWaalsContact C-N 3.3Å
286Q41.1Very low42.1Very low155 Ų155128.7 Ų128.772%0.72466%0.66SS**Hα-helixtrans-71-24172.8-76.7176-1400113.4K282 F284K282-Q286 WeakPolarHBondContact O-CB 3.34Å; K282-Q286 VanDerWaalsContact O-CG 3.31Å; K282-Q286 WeakPolarHBondContact O-CG 3.4Å; K282-Q286 PolarHBondContact O-N 3.02Å; F284-Q286 PolarHBondContact O-N 3.04Å
287K41.3Very low41.1Very low182 Ų182133.8 Ų133.879%0.79169%0.686SS**Hα-helixtrans-89.8-14.7177.3-80.5-170.8176-171.90113.9R283 F284 Y285 P289R283-K287 PolarHBondContact O-N 3.21Å; R283-K287 VanDerWaalsContact O-N 3.16Å; F284-K287 PolarHBondContact O-N 3.23Å; F284-K287 VanDerWaalsContact O-N 3.15Å; Y285-K287 VanDerWaalsContact C-N 3.3Å; K287-P289 WeakPolarHBondContact O-CD 3.37Å
288L33.6Very low40.4Very low83 Ų83138.7 Ų138.744%0.43570%0.698SS.*SBendtrans-65.7122.8166.6-91.5131.7000107.4F284 L290F284-L288 HydrophobicContact CD1-CD1 3.91Å; F284-L288 HydrophobicContact CE1-CD1 3.74Å; F284-L288 HydrophobicContact CZ-CD1 4.49Å; F284-L288 PolarHBondContact O-N 2.91Å; L288-L290 PolarHBondContact O-N 3Å
289P39.8Very low40Very low101 Ų101141.9 Ų141.966%0.65671%0.71SS**  trans-53.3123166.9-16.828.5000106.2K287 L291K287-P289 WeakPolarHBondContact O-CD 3.37Å; P289-L291 PolarHBondContact O-N 3.05Å
290L41.9Very low39.6Very low175 Ų175144.7 Ų144.792%0.91672%0.722SS**  trans-57.495.6165-73166.3000105.4L288 G292L288-L290 PolarHBondContact O-N 3Å; L290-G292 PolarHBondContact O-N 2.75Å
291L38.5Very low39.3Very low165 Ų165149.2 Ų149.286%0.86474%0.739SS**  trans-66.882.6168.9-81.4162.9000105.3P289 K293P289-L291 PolarHBondContact O-N 3.05Å; L291-K293 PolarHBondContact O-N 2.58Å
292G37.7Very low39.1Very low63 Ų63150.9 Ų150.965%0.64975%0.752SS**  trans-56.2122.9173.800000108L290 K294L290-G292 PolarHBondContact O-N 2.75Å; G292-K294 PolarHBondContact O-N 3.09Å; G292-K294 VanDerWaalsContact O-N 3.13Å
293K35.5Very low39.3Very low210 Ų210152.6 Ų152.691%0.91377%0.767SS**  trans-33114.4165.6-66174.5173.8-179.90110.2L291L291-K293 PolarHBondContact O-N 2.58Å
294K41.7Very low39.2Very low206 Ų206149.8 Ų149.890%0.89677%0.772SS**  trans-92111.7148.5-79.1-169.5176.1-176.10106.3G292G292-K294 PolarHBondContact O-N 3.09Å; G292-K294 VanDerWaalsContact O-N 3.13Å
295S46.5Very low39.4Very low183 Ų183150.9 Ų150.9100%1.2879%0.787SS**  trans-500162.1170.70000111.4

Retrieved 295 of 295 residues in 739.3 ms (Link to these results)

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