G4VJ36_SCHMA Loading...

Msf1/px19 related

AlphaFold DB , UniProt , Accession G4VJ36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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
1M91.6Very high95.8Very high89 Ų8961.9 Ų61.944%0.43833%0.325SS..  0134.10169.9-177.6-17600106.9V3 L129 M142 Q146M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-L129 HydrophobicContact CB-CB 4.37Å; M1-L129 PolarHBondContact N-O 3.47Å; M1-L129 PolarHBondContact O-N 2.77Å; M1-L129 HydrophobicContact SD-CD1 4.43Å; M1-M142 HydrophobicContact CB-CE 3.44Å; M1-M142 VanDerWaalsContact CB-CE 3.44Å; M1-M142 HydrophobicContact CG-CE 4.35Å; M1-M142 HydrophobicContact SD-CE 4.11Å; M1-Q146 HydrophobicContact CE-CB 4.39Å; M1-Q146 HydrophobicContact CE-CG 3.98Å
2T94.4Very high95.9Very high79 Ų7959.4 Ų59.449%0.48532%0.315SS..EExtended strand (participates in β ladder)trans-122.4139.9-176.2-47.70000110.5H4 I126 L127T2-H4 WeakPolarHBondContact CG2-NE2 3.37Å; T2-I126 HydrophobicContact CG2-CG2 3.46Å; T2-I126 VanDerWaalsContact CG2-CG2 3.46Å; T2-L127 CarbonylContact C-O 3.51Å; T2-L127 WeakPolarHBondContact CA-O 3.38Å; T2-L127 WeakPolarHBondContact CG2-O 3.44Å
3V94.8Very high96.1Very high22 Ų2255.3 Ų55.313%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-130.2128.8175.2-177.10000108.7M1 V5 I126 L127 Q146M1-V3 HydrophobicContact CE-CG2 3.89Å; V3-V5 HydrophobicContact CG1-CG2 4.15Å; V3-I126 WeakPolarHBondContact O-CA 3.42Å; V3-L127 HydrophobicContact CB-CB 4.12Å; V3-L127 HydrophobicContact CB-CD2 4.29Å; V3-L127 HydrophobicContact CG2-CD2 4.13Å; V3-L127 PolarHBondContact N-O 3.31Å; V3-L127 PolarHBondContact O-N 3.44Å; V3-Q146 HydrophobicContact CG2-CG 4.25Å
4H97.2Very high96.1Very high131 Ų13157.4 Ų57.461%0.60630%0.3SS*.EExtended strand (participates in β ladder)trans-105.7133.5178.1-63.6-104.7000109.6T2 R125T2-H4 WeakPolarHBondContact CG2-NE2 3.37Å; H4-R125 WeakPolarHBondContact CA-O 3.42Å
5V96.8Very high96.1Very high14 Ų1453.9 Ų53.99%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-139.1127.9178.3-1780000108.8V3 S124 R125 Y149 Y153V3-V5 HydrophobicContact CG1-CG2 4.15Å; V5-S124 CarbonylContact O-C 2.95Å; V5-R125 HydrophobicContact CB-CB 4.42Å; V5-R125 PolarHBondContact N-O 2.7Å; V5-R125 PolarHBondContact O-N 3.29Å; V5-Y149 HydrophobicContact CG2-CE1 4.19Å; V5-Y153 HydrophobicContact CG1-CD1 4.42Å; V5-Y153 HydrophobicContact CG1-CD2 3.85Å; V5-Y153 HydrophobicContact CG1-CE1 4.18Å; V5-Y153 HydrophobicContact CG1-CE2 3.68Å; V5-Y153 HydrophobicContact CG1-CG 4.29Å; V5-Y153 HydrophobicContact CG2-CD1 4.11Å; V5-Y153 HydrophobicContact CG2-CE1 3.76Å
6T97.4Very high96.1Very high65 Ų6550.5 Ų50.540%0.39926%0.264SS..EExtended strand (participates in β ladder)trans-124.2130.8174.2-630000109.5Y8 K122 I123 S124T6-Y8 HydrophobicContact CG2-CE2 3.98Å; T6-K122 HydrophobicContact CG2-CD 4.41Å; T6-K122 HydrophobicContact CG2-CG 3.91Å; T6-I123 CarbonylContact C-O 3.42Å; T6-I123 WeakPolarHBondContact CA-O 3.3Å; T6-S124 PolarHBondContact OG1-OG 3.46Å
7H95.5Very high96.2Very high43 Ų4348.5 Ų48.520%0.19925%0.254CS..EExtended strand (participates in β ladder)trans-128.8162.7173.2-62.4169.5000110.5I123 Y153 Y157H7-I123 PolarHBondContact N-O 3.34Å; H7-I123 PolarHBondContact O-N 3.2Å; H7-Y153 AromaticContact CE1-CD2 3.26Å; H7-Y153 WeakPolarHBondContact CE1-CD2 3.38Å; H7-Y153 AromaticContact CE1-CE2 3.18Å; H7-Y153 WeakPolarHBondContact CE1-CE2 3.25Å; H7-Y153 AromaticContact NE2-CD2 3.87Å; H7-Y153 AromaticContact NE2-CE2 3.37Å; H7-Y153 WeakPolarHBondContact NE2-CE2 3.5Å; H7-Y157 HydrophobicContact CB-CD2 4.01Å; H7-Y157 HydrophobicContact CB-CE2 4.27Å; H7-Y157 AromaticContact ND1-CD2 3.78Å; H7-Y157 AromaticContact ND1-CG 3.87Å
8Y97.6Very high96.2Very high117 Ų11749.6 Ų49.646%0.45927%0.267SS..EExtended strand (participates in β ladder)trans-123.5131.5179.1-60.9-88000109T6 V120 T121 K122 Y157T6-Y8 HydrophobicContact CG2-CE2 3.98Å; Y8-V120 HydrophobicContact CD1-CG1 4.03Å; Y8-V120 HydrophobicContact CG-CG1 4.41Å; Y8-T121 WeakPolarHBondContact CA-O 3.3Å; Y8-K122 HydrophobicContact CD1-CB 4Å; Y8-K122 HydrophobicContact CD1-CG 4.2Å; Y8-K122 HydrophobicContact CE1-CB 3.81Å; Y8-K122 HydrophobicContact CE1-CD 3.97Å; Y8-K122 HydrophobicContact CE1-CG 3.64Å; Y8-Y157 WeakPolarHBondContact O-CE2 3.4Å
9L96.3Very high96.1Very high0 Ų047.3 Ų47.30%025%0.254CS..EExtended strand (participates in β ladder)trans-104.1125.9170-69.3173.5000107.6F11 V16 V120 T121 I123 Y157 Y160 M161L9-F11 PolarHBondContact O-N 3.03Å; L9-V16 HydrophobicContact CB-CG2 4.33Å; L9-V16 HydrophobicContact CD1-CG1 3.73Å; L9-V16 HydrophobicContact CD1-CG2 4.01Å; L9-V120 CarbonylContact O-C 3.5Å; L9-V120 WeakPolarHBondContact O-CA 3.49Å; L9-V120 WeakPolarHBondContact O-CG1 3.19Å; L9-T121 PolarHBondContact N-O 3.42Å; L9-T121 PolarHBondContact O-N 3.47Å; L9-I123 HydrophobicContact CD1-CD1 3.52Å; L9-I123 HydrophobicContact CD1-CG1 4.43Å; L9-I123 HydrophobicContact CG-CD1 4.09Å; L9-Y157 HydrophobicContact CD2-CD2 3.75Å; L9-Y157 HydrophobicContact CD2-CE2 3.49Å; L9-Y157 VanDerWaalsContact CD2-CE2 3.49Å; L9-Y157 HydrophobicContact CG-CE2 4.32Å; L9-Y160 HydrophobicContact CD1-CD1 4.23Å; L9-Y160 HydrophobicContact CD1-CG 3.99Å; L9-M161 HydrophobicContact CD2-CG 3.84Å; L9-M161 HydrophobicContact CD2-SD 3.48Å; L9-M161 WeakPolarHBondContact CD2-SD 3.49Å
10S96Very high96.1Very high92 Ų9245.1 Ų45.164%0.64324%0.242SC*.SBendtrans-74.851.6177.9-54.30000112.6S119S10-S119 CarbonylContact C-O 3.49Å
11F96.5Very high96Very high29 Ų2946 Ų4613%0.12724%0.242CC..SBendtrans-144.1143.8178.7-67.6-78.2000109.1L9 F15 V16 S119 V120 T121 M161 C164 N165L9-F11 PolarHBondContact O-N 3.03Å; F11-F15 HydrophobicContact CB-CD1 4.03Å; F11-F15 AromaticContact CD1-CD1 3.64Å; F11-F15 HydrophobicContact CD1-CD1 3.64Å; F11-F15 AromaticContact CD1-CE1 3.7Å; F11-F15 HydrophobicContact CD1-CE1 3.7Å; F11-F15 HydrophobicContact CE1-CD1 4.47Å; F11-F15 HydrophobicContact CE1-CE1 4.09Å; F11-F15 HydrophobicContact CG-CD1 4.08Å; F11-F15 HydrophobicContact CG-CE1 4.35Å; F11-V16 HydrophobicContact CB-CG2 3.66Å; F11-S119 CarbonylContact C-O 3.59Å; F11-S119 VanDerWaalsContact CA-O 3.24Å; F11-S119 WeakPolarHBondContact CA-O 3.34Å; F11-S119 PolarHBondContact N-O 3Å; F11-V120 CarbonylContact O-C 3.59Å; F11-T121 PolarHBondContact O-N 2.89Å; F11-T121 PolarHBondContact O-OG1 3.11Å; F11-M161 HydrophobicContact CE2-CE 4.28Å; F11-M161 HydrophobicContact CE2-SD 4.17Å; F11-C164 HydrophobicContact CD1-CB 3.96Å; F11-C164 HydrophobicContact CD2-CB 3.42Å; F11-C164 VanDerWaalsContact CD2-CB 3.42Å; F11-C164 HydrophobicContact CE1-CB 3.84Å; F11-C164 HydrophobicContact CE2-CB 3.3Å; F11-C164 HydrophobicContact CG-CB 3.76Å; F11-C164 HydrophobicContact CZ-CB 3.52Å; F11-N165 WeakPolarHBondContact CZ-OD1 3.48Å
12P97Very high96Very high32 Ų3248.2 Ų48.221%0.20825%0.246CC..  trans-65.8152-178.927-34.4000111.4E14 F15 V16 Y171P12-E14 VanDerWaalsContact C-N 3.29Å; P12-E14 PolarHBondContact O-N 3.06Å; P12-F15 HydrophobicContact CG-CB 3.96Å; P12-F15 WeakPolarHBondContact O-CB 3.36Å; P12-F15 PolarHBondContact O-N 3.4Å; P12-V16 PolarHBondContact O-N 3.1Å; P12-V16 VanDerWaalsContact O-N 3.08Å; P12-Y171 HydrophobicContact CG-CE1 3.83Å
13W97.8Very high95.7Very high6 Ų645.2 Ų45.22%0.02323%0.225CC..Hα-helixtrans-58.7-39.2-172.517791.2000112.9F15 V16 T17 I83 D84 Q88 V90 L112 P114 T121W13-F15 VanDerWaalsContact C-N 3.29Å; W13-F15 PolarHBondContact O-N 3.31Å; W13-V16 PolarHBondContact O-N 2.86Å; W13-T17 HydrophobicContact CH2-CG2 3.95Å; W13-T17 HydrophobicContact CZ2-CG2 3.88Å; W13-T17 WeakPolarHBondContact CZ2-OG1 3.5Å; W13-T17 PolarHBondContact NE1-OG1 2.75Å; W13-T17 WeakPolarHBondContact O-CB 3.31Å; W13-T17 PolarHBondContact O-N 2.93Å; W13-T17 PolarHBondContact O-OG1 3.03Å; W13-I83 HydrophobicContact CH2-CG2 4.47Å; W13-D84 WeakPolarHBondContact CH2-O 3.43Å; W13-Q88 HydrophobicContact CD2-CB 4.03Å; W13-Q88 HydrophobicContact CE3-CB 3.89Å; W13-Q88 HydrophobicContact CE3-CG 4.11Å; W13-Q88 HydrophobicContact CZ3-CB 4.16Å; W13-Q88 HydrophobicContact CZ3-CG 4.24Å; W13-Q88 PolarHBondContact NE1-O 3.42Å; W13-V90 HydrophobicContact CZ2-CG2 3.68Å; W13-L112 PolarHBondContact NE1-O 2.86Å; W13-P114 HydrophobicContact CB-CB 4.5Å; W13-P114 HydrophobicContact CB-CG 3.84Å; W13-P114 HydrophobicContact CG-CG 4.13Å; W13-T121 WeakPolarHBondContact CA-OG1 3.49Å; W13-T121 PolarHBondContact N-OG1 2.93Å
14E96.5Very high95.5Very high84 Ų8445.4 Ų45.439%0.39322%0.224SC..Hα-helixtrans-61.5-40.7178.7-59.984.6168.900110.8P12 S18 Q88P12-E14 VanDerWaalsContact C-N 3.29Å; P12-E14 PolarHBondContact O-N 3.06Å; E14-S18 VanDerWaalsContact O-CB 3.31Å; E14-S18 WeakPolarHBondContact O-CB 3.48Å; E14-S18 PolarHBondContact O-N 2.94Å; E14-Q88 PolarHBondContact OE1-NE2 2.74Å
15F96.2Very high95.1Very high5 Ų545.3 Ų45.32%0.02224%0.235CC..Hα-helixtrans-68.2-51.8178-173.6-139.4000111.3F11 P12 W13 T17 S18 L19 C164 Y171F11-F15 HydrophobicContact CB-CD1 4.03Å; F11-F15 AromaticContact CD1-CD1 3.64Å; F11-F15 HydrophobicContact CD1-CD1 3.64Å; F11-F15 AromaticContact CD1-CE1 3.7Å; F11-F15 HydrophobicContact CD1-CE1 3.7Å; F11-F15 HydrophobicContact CE1-CD1 4.47Å; F11-F15 HydrophobicContact CE1-CE1 4.09Å; F11-F15 HydrophobicContact CG-CD1 4.08Å; F11-F15 HydrophobicContact CG-CE1 4.35Å; P12-F15 HydrophobicContact CG-CB 3.96Å; P12-F15 WeakPolarHBondContact O-CB 3.36Å; P12-F15 PolarHBondContact O-N 3.4Å; W13-F15 VanDerWaalsContact C-N 3.29Å; W13-F15 PolarHBondContact O-N 3.31Å; F15-T17 VanDerWaalsContact C-N 3.27Å; F15-T17 PolarHBondContact O-N 2.91Å; F15-S18 PolarHBondContact O-N 2.83Å; F15-S18 VanDerWaalsContact O-N 3.16Å; F15-S18 PolarHBondContact O-OG 2.75Å; F15-L19 HydrophobicContact CD2-CD1 4.34Å; F15-L19 HydrophobicContact CE1-CD1 4.27Å; F15-L19 HydrophobicContact CE2-CD1 3.87Å; F15-L19 HydrophobicContact CE2-CG 4.32Å; F15-L19 HydrophobicContact CZ-CD1 3.83Å; F15-L19 PolarHBondContact O-N 2.94Å; F15-C164 HydrophobicContact CE1-CB 3.88Å; F15-Y171 HydrophobicContact CB-CD1 4.24Å; F15-Y171 HydrophobicContact CB-CD2 3.94Å; F15-Y171 HydrophobicContact CB-CE1 3.88Å; F15-Y171 HydrophobicContact CB-CE2 3.53Å; F15-Y171 HydrophobicContact CB-CG 4.28Å; F15-Y171 VanDerWaalsContact CB-CZ 3.5Å; F15-Y171 HydrophobicContact CD1-CD1 4.29Å; F15-Y171 HydrophobicContact CD1-CG 4.25Å; F15-Y171 HydrophobicContact CD2-CD1 4.12Å; F15-Y171 AromaticContact CD2-CD2 3.05Å; F15-Y171 HydrophobicContact CD2-CD2 3.05Å; F15-Y171 AromaticContact CD2-CE2 3.55Å; F15-Y171 HydrophobicContact CD2-CE2 3.55Å; F15-Y171 AromaticContact CD2-CG 3.38Å; F15-Y171 HydrophobicContact CD2-CG 3.38Å; F15-Y171 HydrophobicContact CE1-CG 4.5Å; F15-Y171 AromaticContact CE2-CD2 3.65Å; F15-Y171 HydrophobicContact CE2-CD2 3.65Å; F15-Y171 AromaticContact CE2-CG 3.67Å; F15-Y171 HydrophobicContact CE2-CG 3.67Å; F15-Y171 AromaticContact CG-CD1 3.96Å; F15-Y171 HydrophobicContact CG-CD1 3.96Å; F15-Y171 AromaticContact CG-CD2 3.62Å; F15-Y171 HydrophobicContact CG-CD2 3.62Å; F15-Y171 HydrophobicContact CG-CE1 4.12Å; F15-Y171 AromaticContact CG-CE2 3.77Å; F15-Y171 HydrophobicContact CG-CE2 3.77Å; F15-Y171 AromaticContact CG-CG 3.71Å; F15-Y171 HydrophobicContact CG-CG 3.71Å; F15-Y171 HydrophobicContact CZ-CG 4.23Å
16V96.7Very high94.6Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-58.9-42.3179.8175.40000110.7L9 F11 P12 W13 L19 F20 L112 T121 Y160L9-V16 HydrophobicContact CB-CG2 4.33Å; L9-V16 HydrophobicContact CD1-CG1 3.73Å; L9-V16 HydrophobicContact CD1-CG2 4.01Å; F11-V16 HydrophobicContact CB-CG2 3.66Å; P12-V16 PolarHBondContact O-N 3.1Å; P12-V16 VanDerWaalsContact O-N 3.08Å; W13-V16 PolarHBondContact O-N 2.86Å; V16-L19 PolarHBondContact O-N 3.4Å; V16-F20 PolarHBondContact O-N 3.09Å; V16-L112 HydrophobicContact CG1-CD2 3.93Å; V16-T121 HydrophobicContact CB-CG2 4.33Å; V16-T121 HydrophobicContact CG1-CG2 4.2Å; V16-T121 HydrophobicContact CG2-CG2 4.48Å; V16-T121 WeakPolarHBondContact CG2-OG1 3.48Å; V16-Y160 HydrophobicContact CG1-CD1 4.06Å; V16-Y160 HydrophobicContact CG1-CE1 3.82Å
17T97Very high94.3Very high16 Ų1645.5 Ų45.510%0.09824%0.237CC..Hα-helixtrans-69.8-35.3179.2-60.50000111.9W13 F15 L19 F20 I83 V90W13-T17 HydrophobicContact CH2-CG2 3.95Å; W13-T17 HydrophobicContact CZ2-CG2 3.88Å; W13-T17 WeakPolarHBondContact CZ2-OG1 3.5Å; W13-T17 PolarHBondContact NE1-OG1 2.75Å; W13-T17 WeakPolarHBondContact O-CB 3.31Å; W13-T17 PolarHBondContact O-N 2.93Å; W13-T17 PolarHBondContact O-OG1 3.03Å; F15-T17 VanDerWaalsContact C-N 3.27Å; F15-T17 PolarHBondContact O-N 2.91Å; T17-L19 PolarHBondContact O-N 3.07Å; T17-F20 WeakPolarHBondContact O-CB 3.09Å; T17-F20 PolarHBondContact O-N 2.82Å; T17-I83 HydrophobicContact CG2-CG2 4.06Å; T17-V90 HydrophobicContact CG2-CG2 3.61Å
18S95.4Very high94.1Very high69 Ų6946.8 Ų46.848%0.48324%0.243SC..Hα-helixtrans-61.2-26.8173.779.30000113E14 F15E14-S18 VanDerWaalsContact O-CB 3.31Å; E14-S18 WeakPolarHBondContact O-CB 3.48Å; E14-S18 PolarHBondContact O-N 2.94Å; F15-S18 PolarHBondContact O-N 2.83Å; F15-S18 VanDerWaalsContact O-N 3.16Å; F15-S18 PolarHBondContact O-OG 2.75Å
19L95.4Very high93.8Very high6 Ų641.4 Ų41.43%0.03122%0.222CC..THydrogen-bonded Turntrans-91.51.6177.3-62.8174.5000113.1F15 V16 T17 W21 R22 R23 L163 Y167F15-L19 HydrophobicContact CD2-CD1 4.34Å; F15-L19 HydrophobicContact CE1-CD1 4.27Å; F15-L19 HydrophobicContact CE2-CD1 3.87Å; F15-L19 HydrophobicContact CE2-CG 4.32Å; F15-L19 HydrophobicContact CZ-CD1 3.83Å; F15-L19 PolarHBondContact O-N 2.94Å; V16-L19 PolarHBondContact O-N 3.4Å; T17-L19 PolarHBondContact O-N 3.07Å; L19-W21 VanDerWaalsContact C-N 3.33Å; L19-W21 PolarHBondContact O-N 2.77Å; L19-R22 PolarHBondContact O-N 2.87Å; L19-R23 PolarHBondContact O-N 3.24Å; L19-L163 HydrophobicContact CD1-CB 4.15Å; L19-Y167 HydrophobicContact CD2-CD2 3.72Å; L19-Y167 HydrophobicContact CD2-CE2 4.32Å; L19-Y167 HydrophobicContact CD2-CG 4.07Å
20F95.5Very high93.5Very high2 Ų249 Ų491%0.00926%0.255CS..G310 helixtrans-54.4-45.7-173-174.2-96.8000112.5V16 T17 R22 R23 I83 V90 V92 L112 Y160V16-F20 PolarHBondContact O-N 3.09Å; T17-F20 WeakPolarHBondContact O-CB 3.09Å; T17-F20 PolarHBondContact O-N 2.82Å; F20-R22 VanDerWaalsContact C-N 3.28Å; F20-R22 PolarHBondContact O-N 3.38Å; F20-R23 VanDerWaalsContact CD1-NH1 3.26Å; F20-R23 VanDerWaalsContact CE1-NH1 3.27Å; F20-R23 VanDerWaalsContact O-CG 3.29Å; F20-R23 WeakPolarHBondContact O-CG 3.16Å; F20-R23 PolarHBondContact O-NH1 2.72Å; F20-I83 HydrophobicContact CD1-CD1 4.29Å; F20-V90 HydrophobicContact CD2-CG1 4.13Å; F20-V90 HydrophobicContact CE2-CG1 3.65Å; F20-V90 HydrophobicContact CZ-CG1 3.89Å; F20-V92 HydrophobicContact CE2-CG2 3.73Å; F20-V92 HydrophobicContact CZ-CG2 3.47Å; F20-V92 VanDerWaalsContact CZ-CG2 3.47Å; F20-L112 HydrophobicContact CD2-CD2 4.35Å; F20-L112 HydrophobicContact CE2-CD1 4.32Å; F20-Y160 VanDerWaalsContact CD2-OH 3.32Å; F20-Y160 WeakPolarHBondContact CD2-OH 3.18Å
21W93.6Very high93.3Very high66 Ų6645.6 Ų45.625%0.2523%0.229CC..G310 helixtrans-79.9-6.4179.4-51.9120.5000114.4L19 R40 T50 R52 S81 I83L19-W21 VanDerWaalsContact C-N 3.33Å; L19-W21 PolarHBondContact O-N 2.77Å; W21-R40 VanDerWaalsContact CZ2-NH2 3.3Å; W21-T50 HydrophobicContact CH2-CG2 3.56Å; W21-T50 HydrophobicContact CZ2-CG2 4.12Å; W21-T50 WeakPolarHBondContact CZ2-OG1 3.25Å; W21-T50 HydrophobicContact CZ3-CG2 4.08Å; W21-R52 VanDerWaalsContact CE3-CZ 3.47Å; W21-R52 HydrophobicContact CZ3-CG 4.36Å; W21-R52 VanDerWaalsContact CZ3-CZ 3.42Å; W21-S81 WeakPolarHBondContact CH2-OG 3.48Å; W21-I83 HydrophobicContact CZ2-CD1 3.85Å
22R91.8Very high93.1Very high135 Ų13545 Ų4551%0.50923%0.228SC..G310 helixtrans-96.25.1176.7-65.6-171.2176.8-167.70.7113L19 F20 Y24 L163 Y167L19-R22 PolarHBondContact O-N 2.87Å; F20-R22 VanDerWaalsContact C-N 3.28Å; F20-R22 PolarHBondContact O-N 3.38Å; R22-Y24 PolarHBondContact O-N 2.95Å; R22-Y24 VanDerWaalsContact O-N 3.11Å; R22-L163 HydrophobicContact CB-CD1 4.49Å; R22-L163 HydrophobicContact CB-CD2 4.46Å; R22-L163 WeakPolarHBondContact O-CD1 3.34Å; R22-Y167 VanDerWaalsContact NH1-CE1 3.32Å; R22-Y167 VanDerWaalsContact NH1-CZ 3.28Å; R22-Y167 PolarHBondContact NH1-OH 3.18Å; R22-Y167 VanDerWaalsContact NH1-OH 3.12Å
23R88.6Confident93Very high15 Ų1547.3 Ų47.36%0.05724%0.238CC..  trans-49.1-38.3178.4-82-166.1-52.2-89.326112.5L19 F20 N26 E79 Y160L19-R23 PolarHBondContact O-N 3.24Å; F20-R23 VanDerWaalsContact CD1-NH1 3.26Å; F20-R23 VanDerWaalsContact CE1-NH1 3.27Å; F20-R23 VanDerWaalsContact O-CG 3.29Å; F20-R23 WeakPolarHBondContact O-CG 3.16Å; F20-R23 PolarHBondContact O-NH1 2.72Å; R23-N26 PolarHBondContact O-ND2 2.86Å; R23-E79 IonicContact NH2-OE1 2.86Å; R23-E79 PolarHBondContact NH2-OE1 3.3Å; R23-E79 IonicContact NH2-OE2 2.63Å; R23-E79 PolarHBondContact NH2-OE2 2.99Å; R23-E79 VanDerWaalsContact NH2-OE2 3.09Å; R23-Y160 VanDerWaalsContact CD-CZ 3.47Å; R23-Y160 VanDerWaalsContact CD-OH 3.32Å; R23-Y160 WeakPolarHBondContact CD-OH 3.12Å; R23-Y160 HydrophobicContact CG-CD2 4.31Å; R23-Y160 HydrophobicContact CG-CE1 4.04Å; R23-Y160 HydrophobicContact CG-CE2 3.6Å; R23-Y160 VanDerWaalsContact CG-CZ 3.44Å; R23-Y160 WeakPolarHBondContact CG-OH 3.19Å; R23-Y160 PolarHBondContact NH1-OH 3.31Å
24Y90.5Very high92.8Very high27 Ų2750 Ų5011%0.10626%0.258CS..SBendtrans-128.6148.7-178.4-50.6-57.5000110.9R22 A29 V32 L54 T156R22-Y24 PolarHBondContact O-N 2.95Å; R22-Y24 VanDerWaalsContact O-N 3.11Å; Y24-A29 HydrophobicContact CD1-CB 3.78Å; Y24-A29 HydrophobicContact CE1-CB 3.34Å; Y24-V32 HydrophobicContact CD1-CB 4.12Å; Y24-V32 HydrophobicContact CD1-CG2 4.07Å; Y24-V32 HydrophobicContact CD2-CB 4.26Å; Y24-V32 HydrophobicContact CD2-CG1 3.84Å; Y24-V32 HydrophobicContact CD2-CG2 4.17Å; Y24-V32 HydrophobicContact CE1-CB 4.36Å; Y24-V32 HydrophobicContact CE1-CG2 3.8Å; Y24-V32 HydrophobicContact CE2-CB 4.46Å; Y24-V32 HydrophobicContact CE2-CG1 4.27Å; Y24-V32 HydrophobicContact CE2-CG2 3.86Å; Y24-V32 HydrophobicContact CG-CB 4.08Å; Y24-V32 HydrophobicContact CG-CG1 3.98Å; Y24-V32 HydrophobicContact CG-CG2 4.27Å; Y24-L54 HydrophobicContact CE2-CD2 4.2Å; Y24-T156 PolarHBondContact OH-OG1 3.12Å
25P89Confident92.8Very high129 Ų12948.9 Ų48.984%0.83825%0.253SS*.SBendcis-71.3151.3-8.831.8-34.9000111.6
26N86.9Confident92.8Very high15 Ų1553.6 Ų53.68%0.0828%0.278CS..  trans-141.9161.3167.777.265.7000110.2R23 H28 A29R23-N26 PolarHBondContact O-ND2 2.86Å; N26-H28 PolarHBondContact O-N 2.78Å; N26-H28 VanDerWaalsContact O-N 3.13Å; N26-H28 WeakPolarHBondContact OD1-CA 3.35Å; N26-H28 WeakPolarHBondContact OD1-CB 3.4Å; N26-H28 PolarHBondContact OD1-N 3.43Å; N26-A29 PolarHBondContact OD1-N 2.53Å
27P90.6Very high92.8Very high67 Ų6756.3 Ų56.344%0.43530%0.295SS..SBendtrans-61.1-21.9-175.9-2635.8000115.6K30 Y162P27-K30 WeakPolarHBondContact O-CE 3.45Å; P27-Y162 HydrophobicContact CG-CE1 4.24Å; P27-Y162 HydrophobicContact CG-CE2 4.37Å
28H92.1Very high92.9Very high71 Ų7159.8 Ų59.833%0.32931%0.312SS..SBendtrans-93.1-48.3-174.6-57.2-79.5000112.1N26 K30 D155 L158N26-H28 PolarHBondContact O-N 2.78Å; N26-H28 VanDerWaalsContact O-N 3.13Å; N26-H28 WeakPolarHBondContact OD1-CA 3.35Å; N26-H28 WeakPolarHBondContact OD1-CB 3.4Å; N26-H28 PolarHBondContact OD1-N 3.43Å; H28-K30 VanDerWaalsContact C-N 3.26Å; H28-K30 PolarHBondContact O-N 2.69Å; H28-D155 HydrophobicContact CB-CB 4.25Å; H28-D155 WeakPolarHBondContact CB-O 3.41Å; H28-L158 HydrophobicContact CB-CB 4.05Å
29A91Very high93Very high3 Ų359.7 Ų59.73%0.02530%0.304CS..  trans-87.850.8-173.400000113.8Y24 N26 H31 V32 D155Y24-A29 HydrophobicContact CD1-CB 3.78Å; Y24-A29 HydrophobicContact CE1-CB 3.34Å; N26-A29 PolarHBondContact OD1-N 2.53Å; A29-H31 PolarHBondContact O-N 2.78Å; A29-V32 PolarHBondContact O-N 3.2Å; A29-V32 VanDerWaalsContact O-N 3.12Å; A29-D155 HydrophobicContact CB-CB 4.29Å
30K90.3Very high93.1Very high161 Ų16164.3 Ų64.370%0.732%0.321SS*.THydrogen-bonded Turntrans-63.2-8.2-179.9-58.4-174.4-176.9-177.30114.5P27 H28 V32P27-K30 WeakPolarHBondContact O-CE 3.45Å; H28-K30 VanDerWaalsContact C-N 3.26Å; H28-K30 PolarHBondContact O-N 2.69Å; K30-V32 VanDerWaalsContact C-N 3.31Å
31H90.8Very high93.2Very high19 Ų1968.9 Ų68.99%0.08834%0.339CS..THydrogen-bonded Turntrans-77.4-18176.864-90.7000112.6A29 K56 K57 Y148 S152 D155A29-H31 PolarHBondContact O-N 2.78Å; H31-K56 CarbonylContact O-C 3.52Å; H31-K56 WeakPolarHBondContact O-CA 3.34Å; H31-K57 PolarHBondContact O-N 2.74Å; H31-Y148 WeakPolarHBondContact CB-OH 3.5Å; H31-S152 PolarHBondContact CE1-OG 2.89Å; H31-S152 VanDerWaalsContact CE1-OG 3.31Å; H31-S152 PolarHBondContact NE2-OG 2.96Å; H31-D155 IonicContact ND1-OD2 3.51Å
32V93.3Very high93.5Very high16 Ų1671.3 Ų71.310%0.09736%0.356CS..EExtended strand (participates in β ladder)trans-86.6117.8169.5-175.60000108.1Y24 A29 K30 L54 K56Y24-V32 HydrophobicContact CD1-CB 4.12Å; Y24-V32 HydrophobicContact CD1-CG2 4.07Å; Y24-V32 HydrophobicContact CD2-CB 4.26Å; Y24-V32 HydrophobicContact CD2-CG1 3.84Å; Y24-V32 HydrophobicContact CD2-CG2 4.17Å; Y24-V32 HydrophobicContact CE1-CB 4.36Å; Y24-V32 HydrophobicContact CE1-CG2 3.8Å; Y24-V32 HydrophobicContact CE2-CB 4.46Å; Y24-V32 HydrophobicContact CE2-CG1 4.27Å; Y24-V32 HydrophobicContact CE2-CG2 3.86Å; Y24-V32 HydrophobicContact CG-CB 4.08Å; Y24-V32 HydrophobicContact CG-CG1 3.98Å; Y24-V32 HydrophobicContact CG-CG2 4.27Å; A29-V32 PolarHBondContact O-N 3.2Å; A29-V32 VanDerWaalsContact O-N 3.12Å; K30-V32 VanDerWaalsContact C-N 3.31Å; V32-L54 HydrophobicContact CG1-CD2 4.35Å; V32-K56 HydrophobicContact CG2-CG 4.4Å
33L93.5Very high93.8Very high82 Ų8266.5 Ų66.543%0.42934%0.34SS..EExtended strand (participates in β ladder)trans-94.8-39.7-173.8-58.4-179.6000111.9I55 K57 Q74L33-I55 WeakPolarHBondContact CB-O 3.46Å; L33-I55 HydrophobicContact CD1-CG2 4.41Å; L33-I55 PolarHBondContact N-O 2.83Å; L33-K57 HydrophobicContact CD1-CB 4.34Å; L33-K57 HydrophobicContact CD2-CB 4.42Å; L33-K57 HydrophobicContact CG-CB 4.44Å; L33-Q74 HydrophobicContact CD1-CG 3.67Å; L33-Q74 VanDerWaalsContact CD1-NE2 3.26Å
34S94.7Very high94.2Very high63 Ų6372.3 Ų72.344%0.44138%0.383SS..EExtended strand (participates in β ladder)trans-153.4155.6176.260.70000110.3L54 I55S34-L54 WeakPolarHBondContact O-CA 3.39Å; S34-I55 PolarHBondContact O-N 3.1Å; S34-I55 WeakPolarHBondContact OG-CB 3.11Å; S34-I55 WeakPolarHBondContact OG-CG1 3.41Å
35E95.1Very high94.5Very high60 Ų6074.9 Ų74.928%0.2840%0.399SS..EExtended strand (participates in β ladder)trans-134.8150.6167.859169.6-127.400109.7R52 L53 L54E35-R52 IonicContact OE1-NH1 2.83Å; E35-R52 PolarHBondContact OE1-NH1 3.39Å; E35-R52 IonicContact OE2-CZ 3.2Å; E35-R52 IonicContact OE2-NH1 3.41Å; E35-R52 PolarHBondContact OE2-NH1 3.05Å; E35-R52 IonicContact OE2-NH2 3.75Å; E35-L53 CarbonylContact C-O 3.54Å; E35-L53 VanDerWaalsContact CA-O 3.23Å; E35-L53 WeakPolarHBondContact CA-O 3.34Å; E35-L54 HydrophobicContact CB-CG 4.14Å
36D96.5Very high94.8Very high104 Ų10471.1 Ų71.156%0.55638%0.384SS*.EExtended strand (participates in β ladder)trans-142.9152.6175-160.9-1.6000109.8R52 L53D36-R52 CarbonylContact O-C 3.34Å; D36-R52 WeakPolarHBondContact O-CA 3.3Å; D36-R52 VanDerWaalsContact O-CB 3.26Å; D36-R52 WeakPolarHBondContact O-CB 3.22Å; D36-L53 PolarHBondContact N-O 2.95Å; D36-L53 PolarHBondContact O-N 3.2Å
37V97.6Very high95.4Very high57 Ų5773.4 Ų73.435%0.34539%0.391SS..EExtended strand (participates in β ladder)trans-98.1114.7177.7-179.90000108.5R40 T50 R52V37-R40 HydrophobicContact CG1-CB 4.14Å; V37-T50 HydrophobicContact CG1-CG2 4.21Å; V37-R52 HydrophobicContact CG2-CG 4.27Å
38L97.8Very high95.7Very high88 Ų8872.4 Ų72.446%0.46138%0.382SS..EExtended strand (participates in β ladder)trans-80.7-42.1179.1-60.1-176.3000111.5K51 L53L38-K51 HydrophobicContact CB-CB 4.5Å; L38-K51 HydrophobicContact CB-CD 4.46Å; L38-K51 HydrophobicContact CB-CG 4.31Å; L38-K51 HydrophobicContact CD1-CD 4.1Å; L38-K51 HydrophobicContact CD1-CG 4.13Å; L38-K51 PolarHBondContact N-O 2.91Å; L38-L53 HydrophobicContact CD1-CB 4.17Å; L38-L53 HydrophobicContact CD2-CB 4.03Å; L38-L53 HydrophobicContact CG-CB 4.11Å
39E97.8Very high96.1Very high68 Ų6869.1 Ų69.132%0.31837%0.367SS..EExtended strand (participates in β ladder)trans-157.3148.217850.6180-170.500109.7Y49 T50 K51E39-Y49 HydrophobicContact CG-CE1 4.01Å; E39-Y49 VanDerWaalsContact OE1-CE1 3.31Å; E39-Y49 WeakPolarHBondContact OE1-CE1 3.4Å; E39-Y49 PolarHBondContact OE1-OH 3.03Å; E39-T50 WeakPolarHBondContact O-CA 3.24Å; E39-K51 HydrophobicContact CG-CB 3.53Å; E39-K51 HydrophobicContact CG-CD 4.3Å; E39-K51 HydrophobicContact CG-CG 4.48Å; E39-K51 PolarHBondContact N-O 2.91Å; E39-K51 PolarHBondContact O-N 2.9Å; E39-K51 WeakPolarHBondContact OE1-CE 3.17Å; E39-K51 IonicContact OE1-NZ 3.21Å; E39-K51 PolarHBondContact OE1-NZ 2.93Å
40R98.1Very high96.4Very high102 Ų10269 Ų6939%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-152.5128.3173.7177.4175.1-70.6143.8-3.1109.1W21 V37 L48 Y49 T50W21-R40 VanDerWaalsContact CZ2-NH2 3.3Å; V37-R40 HydrophobicContact CG1-CB 4.14Å; R40-L48 HydrophobicContact CG-CD1 3.69Å; R40-L48 HydrophobicContact CG-CG 4.34Å; R40-Y49 WeakPolarHBondContact CA-O 3.45Å; R40-T50 HydrophobicContact CB-CG2 4.38Å; R40-T50 PolarHBondContact NE-OG1 3.17Å
41Y98.4Very high96.8Very high98 Ų9862.1 Ų62.138%0.38434%0.336SS..EExtended strand (participates in β ladder)trans-158.3160.4-18056-90000110.5L43 Y49Y41-L43 HydrophobicContact CD2-CD2 4.47Å; Y41-L43 HydrophobicContact CE2-CD2 3.81Å; Y41-Y49 AromaticContact CD1-CD1 3.99Å; Y41-Y49 HydrophobicContact CD1-CD1 3.99Å; Y41-Y49 AromaticContact CE1-CD1 3.36Å; Y41-Y49 HydrophobicContact CE1-CD1 3.36Å; Y41-Y49 AromaticContact CE1-CE1 3.61Å; Y41-Y49 HydrophobicContact CE1-CE1 3.61Å; Y41-Y49 HydrophobicContact CE1-CG 4.5Å; Y41-Y49 HydrophobicContact CE2-CD1 4.14Å; Y41-Y49 AromaticContact CZ-CD1 3.44Å; Y41-Y49 VanDerWaalsContact CZ-CD1 3.44Å; Y41-Y49 AromaticContact CZ-CE1 3.83Å; Y41-Y49 PolarHBondContact N-O 2.92Å; Y41-Y49 VanDerWaalsContact N-O 3.1Å; Y41-Y49 PolarHBondContact O-N 2.94Å
42L98.3Very high97.1Very high118 Ų11861.3 Ų61.362%0.61833%0.332SS*.EExtended strand (participates in β ladder)trans-79132170.5-64.7173.6000109.2R47 L48L42-R47 WeakPolarHBondContact CA-O 3.42Å; L42-L48 HydrophobicContact CD2-CB 4.23Å; L42-L48 HydrophobicContact CD2-CD1 4Å
43L97.9Very high97.3Very high33 Ų3362.7 Ų62.717%0.17334%0.338CS..  trans-67.8165.4167.5-62.9177.7000109.7Y41 D45 G46 R47 I82 P205Y41-L43 HydrophobicContact CD2-CD2 4.47Å; Y41-L43 HydrophobicContact CE2-CD2 3.81Å; L43-D45 VanDerWaalsContact CB-OD1 3.3Å; L43-D45 WeakPolarHBondContact CB-OD1 3.31Å; L43-D45 PolarHBondContact O-N 3.39Å; L43-D45 VanDerWaalsContact O-N 3.11Å; L43-G46 PolarHBondContact O-N 3.29Å; L43-R47 HydrophobicContact CD1-CB 4.26Å; L43-R47 PolarHBondContact N-O 3.21Å; L43-I82 HydrophobicContact CD1-CD1 4.13Å; L43-I82 HydrophobicContact CD1-CG1 4.27Å; L43-P205 HydrophobicContact CD2-CG 4.47Å
44S97.3Very high97.4Very high137 Ų13758.9 Ų58.996%0.95832%0.318SS*.THydrogen-bonded Turntrans-60.5-2218052.60000113.8
45D96.5Very high97.4Very high82 Ų8257.2 Ų57.244%0.43930%0.304SS..THydrogen-bonded Turntrans-91.64.7176.460.716.9000113.6L43 R47L43-D45 VanDerWaalsContact CB-OD1 3.3Å; L43-D45 WeakPolarHBondContact CB-OD1 3.31Å; L43-D45 PolarHBondContact O-N 3.39Å; L43-D45 VanDerWaalsContact O-N 3.11Å; D45-R47 VanDerWaalsContact C-N 3.34Å; D45-R47 VanDerWaalsContact CG-NE 3.3Å; D45-R47 WeakPolarHBondContact OD1-CB 3.33Å; D45-R47 WeakPolarHBondContact OD1-CG 3.44Å; D45-R47 PolarHBondContact OD1-N 3.27Å; D45-R47 IonicContact OD1-NE 2.97Å; D45-R47 PolarHBondContact OD1-NE 3.21Å; D45-R47 IonicContact OD2-CZ 3.09Å; D45-R47 IonicContact OD2-NE 2.65Å; D45-R47 PolarHBondContact OD2-NE 2.96Å; D45-R47 IonicContact OD2-NH2 3.32Å; D45-R47 PolarHBondContact OD2-NH2 3.29Å
46G96.9Very high97.4Very high50 Ų5055.6 Ų55.652%0.51530%0.296SS..SBendtrans84.6-2.3178.700000115.2L43L43-G46 PolarHBondContact O-N 3.29Å
47R98.2Very high97.2Very high62 Ų6255.5 Ų55.523%0.23429%0.291CS..  trans-72.8146.3174.1-61.8-178.6-65.9167.5-4.3110.9L42 L43 D45 I82 D84L42-R47 WeakPolarHBondContact CA-O 3.42Å; L43-R47 HydrophobicContact CD1-CB 4.26Å; L43-R47 PolarHBondContact N-O 3.21Å; D45-R47 VanDerWaalsContact C-N 3.34Å; D45-R47 VanDerWaalsContact CG-NE 3.3Å; D45-R47 WeakPolarHBondContact OD1-CB 3.33Å; D45-R47 WeakPolarHBondContact OD1-CG 3.44Å; D45-R47 PolarHBondContact OD1-N 3.27Å; D45-R47 IonicContact OD1-NE 2.97Å; D45-R47 PolarHBondContact OD1-NE 3.21Å; D45-R47 IonicContact OD2-CZ 3.09Å; D45-R47 IonicContact OD2-NE 2.65Å; D45-R47 PolarHBondContact OD2-NE 2.96Å; D45-R47 IonicContact OD2-NH2 3.32Å; D45-R47 PolarHBondContact OD2-NH2 3.29Å; R47-I82 HydrophobicContact CB-CG2 3.89Å; R47-D84 HydrophobicContact CG-CB 3.89Å
48L98.5Very high96.7Very high46 Ų4653.4 Ų53.424%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-89.3113-178.9-178.768.7000110.6R40 L42 I82 I83R40-L48 HydrophobicContact CG-CD1 3.69Å; R40-L48 HydrophobicContact CG-CG 4.34Å; L42-L48 HydrophobicContact CD2-CB 4.23Å; L42-L48 HydrophobicContact CD2-CD1 4Å; L48-I82 CarbonylContact O-C 3.58Å; L48-I82 WeakPolarHBondContact O-CA 3.5Å; L48-I83 HydrophobicContact CB-CB 4.32Å; L48-I83 PolarHBondContact N-O 2.82Å; L48-I83 PolarHBondContact O-N 3.41Å
49Y98.6Very high96.1Very high3 Ų350.1 Ų50.11%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-91.2138.9169.4170.4-94.7000110.7E39 R40 Y41 K51 E80 S81 I82 P205E39-Y49 HydrophobicContact CG-CE1 4.01Å; E39-Y49 VanDerWaalsContact OE1-CE1 3.31Å; E39-Y49 WeakPolarHBondContact OE1-CE1 3.4Å; E39-Y49 PolarHBondContact OE1-OH 3.03Å; R40-Y49 WeakPolarHBondContact CA-O 3.45Å; Y41-Y49 AromaticContact CD1-CD1 3.99Å; Y41-Y49 HydrophobicContact CD1-CD1 3.99Å; Y41-Y49 AromaticContact CE1-CD1 3.36Å; Y41-Y49 HydrophobicContact CE1-CD1 3.36Å; Y41-Y49 AromaticContact CE1-CE1 3.61Å; Y41-Y49 HydrophobicContact CE1-CE1 3.61Å; Y41-Y49 HydrophobicContact CE1-CG 4.5Å; Y41-Y49 HydrophobicContact CE2-CD1 4.14Å; Y41-Y49 AromaticContact CZ-CD1 3.44Å; Y41-Y49 VanDerWaalsContact CZ-CD1 3.44Å; Y41-Y49 AromaticContact CZ-CE1 3.83Å; Y41-Y49 PolarHBondContact N-O 2.92Å; Y41-Y49 VanDerWaalsContact N-O 3.1Å; Y41-Y49 PolarHBondContact O-N 2.94Å; Y49-K51 HydrophobicContact CE1-CB 4.21Å; Y49-K51 WeakPolarHBondContact OH-CE 3.32Å; Y49-K51 PolarHBondContact OH-NZ 2.8Å; Y49-E80 HydrophobicContact CE2-CB 4.12Å; Y49-E80 HydrophobicContact CE2-CG 4.19Å; Y49-S81 CarbonylContact C-O 3.59Å; Y49-S81 WeakPolarHBondContact CA-O 3.32Å; Y49-I82 HydrophobicContact CD2-CG1 4.15Å; Y49-P205 HydrophobicContact CD2-CB 3.94Å; Y49-P205 HydrophobicContact CD2-CG 3.84Å; Y49-P205 HydrophobicContact CE2-CB 3.68Å; Y49-P205 HydrophobicContact CE2-CG 3.86Å; Y49-P205 HydrophobicContact CG-CG 4.46Å
50T98.5Very high95.3Very high0 Ų055.5 Ų55.50%028%0.284CS..EExtended strand (participates in β ladder)trans-139.2133.6172.6-55.90000110.1W21 V37 E39 R40 R52 E80 S81W21-T50 HydrophobicContact CH2-CG2 3.56Å; W21-T50 HydrophobicContact CZ2-CG2 4.12Å; W21-T50 WeakPolarHBondContact CZ2-OG1 3.25Å; W21-T50 HydrophobicContact CZ3-CG2 4.08Å; V37-T50 HydrophobicContact CG1-CG2 4.21Å; E39-T50 WeakPolarHBondContact O-CA 3.24Å; R40-T50 HydrophobicContact CB-CG2 4.38Å; R40-T50 PolarHBondContact NE-OG1 3.17Å; T50-R52 HydrophobicContact CG2-CG 3.65Å; T50-E80 CarbonylContact O-C 3.5Å; T50-E80 WeakPolarHBondContact O-CA 3.41Å; T50-S81 PolarHBondContact N-O 2.68Å; T50-S81 PolarHBondContact O-N 3.39Å; T50-S81 PolarHBondContact O-OG 2.82Å
51K98.4Very high94.5Very high17 Ų1758.5 Ų58.57%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-110.8133164.4-175.2-179.7-83.4146.80110.4L38 E39 Y49 V78 E79 E80L38-K51 HydrophobicContact CB-CB 4.5Å; L38-K51 HydrophobicContact CB-CD 4.46Å; L38-K51 HydrophobicContact CB-CG 4.31Å; L38-K51 HydrophobicContact CD1-CD 4.1Å; L38-K51 HydrophobicContact CD1-CG 4.13Å; L38-K51 PolarHBondContact N-O 2.91Å; E39-K51 HydrophobicContact CG-CB 3.53Å; E39-K51 HydrophobicContact CG-CD 4.3Å; E39-K51 HydrophobicContact CG-CG 4.48Å; E39-K51 PolarHBondContact N-O 2.91Å; E39-K51 PolarHBondContact O-N 2.9Å; E39-K51 WeakPolarHBondContact OE1-CE 3.17Å; E39-K51 IonicContact OE1-NZ 3.21Å; E39-K51 PolarHBondContact OE1-NZ 2.93Å; Y49-K51 HydrophobicContact CE1-CB 4.21Å; Y49-K51 WeakPolarHBondContact OH-CE 3.32Å; Y49-K51 PolarHBondContact OH-NZ 2.8Å; K51-V78 HydrophobicContact CD-CG1 4.15Å; K51-V78 HydrophobicContact CG-CG1 3.87Å; K51-E79 CarbonylContact C-O 3.56Å; K51-E79 WeakPolarHBondContact CA-O 3.39Å; K51-E80 HydrophobicContact CB-CG 4.34Å; K51-E80 WeakPolarHBondContact CE-OE1 3.39Å; K51-E80 HydrophobicContact CG-CG 4.08Å; K51-E80 IonicContact NZ-OE1 3.8Å; K51-E80 PolarHBondContact NZ-OE1 3.34Å
52R97.4Very high93.8Very high1 Ų154.2 Ų54.20%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-128152.1179.9-57.8-162.4-62.2169.4-0.9111.6W21 E35 D36 V37 T50 L54 V78 E79W21-R52 VanDerWaalsContact CE3-CZ 3.47Å; W21-R52 HydrophobicContact CZ3-CG 4.36Å; W21-R52 VanDerWaalsContact CZ3-CZ 3.42Å; E35-R52 IonicContact OE1-NH1 2.83Å; E35-R52 PolarHBondContact OE1-NH1 3.39Å; E35-R52 IonicContact OE2-CZ 3.2Å; E35-R52 IonicContact OE2-NH1 3.41Å; E35-R52 PolarHBondContact OE2-NH1 3.05Å; E35-R52 IonicContact OE2-NH2 3.75Å; D36-R52 CarbonylContact O-C 3.34Å; D36-R52 WeakPolarHBondContact O-CA 3.3Å; D36-R52 VanDerWaalsContact O-CB 3.26Å; D36-R52 WeakPolarHBondContact O-CB 3.22Å; V37-R52 HydrophobicContact CG2-CG 4.27Å; T50-R52 HydrophobicContact CG2-CG 3.65Å; R52-L54 HydrophobicContact CB-CD1 4.02Å; R52-V78 WeakPolarHBondContact O-CA 3.47Å; R52-E79 HydrophobicContact CB-CB 4.47Å; R52-E79 IonicContact CZ-OE1 3.73Å; R52-E79 PolarHBondContact N-O 3.24Å; R52-E79 IonicContact NE-OE1 2.84Å; R52-E79 PolarHBondContact NE-OE1 3.16Å; R52-E79 IonicContact NH2-OE1 3.55Å; R52-E79 PolarHBondContact NH2-OE1 2.91Å; R52-E79 IonicContact NH2-OE2 3.93Å; R52-E79 PolarHBondContact O-N 3.19Å
53L97.6Very high92.9Very high46 Ų4649.6 Ų49.624%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-104.8127.2167.8175.360.4000108.4E35 D36 L38 I55 F97E35-L53 CarbonylContact C-O 3.54Å; E35-L53 VanDerWaalsContact CA-O 3.23Å; E35-L53 WeakPolarHBondContact CA-O 3.34Å; D36-L53 PolarHBondContact N-O 2.95Å; D36-L53 PolarHBondContact O-N 3.2Å; L38-L53 HydrophobicContact CD1-CB 4.17Å; L38-L53 HydrophobicContact CD2-CB 4.03Å; L38-L53 HydrophobicContact CG-CB 4.11Å; L53-I55 HydrophobicContact CD1-CD1 4.32Å; L53-I55 HydrophobicContact CG-CD1 4.39Å; L53-F97 HydrophobicContact CD1-CE1 3.49Å; L53-F97 VanDerWaalsContact CD1-CE1 3.49Å; L53-F97 HydrophobicContact CD1-CZ 3.57Å
54L95.8Very high92.2Very high1 Ų156.2 Ų56.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-119.1137.5174-63.785.4000109.7Y24 V32 S34 E35 R52 V77 E79Y24-L54 HydrophobicContact CE2-CD2 4.2Å; V32-L54 HydrophobicContact CG1-CD2 4.35Å; S34-L54 WeakPolarHBondContact O-CA 3.39Å; E35-L54 HydrophobicContact CB-CG 4.14Å; R52-L54 HydrophobicContact CB-CD1 4.02Å; L54-V77 HydrophobicContact CB-CB 4.36Å; L54-V77 PolarHBondContact N-O 2.82Å; L54-V77 PolarHBondContact O-N 2.81Å; L54-E79 HydrophobicContact CD1-CB 3.46Å; L54-E79 VanDerWaalsContact CD1-CB 3.46Å; L54-E79 HydrophobicContact CD1-CG 4.49Å
55I95.3Very high91.3Very high28 Ų2852.4 Ų52.414%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-106.4118.8170.7-53.5-57000108.4L33 S34 L53 Q74 S76L33-I55 WeakPolarHBondContact CB-O 3.46Å; L33-I55 HydrophobicContact CD1-CG2 4.41Å; L33-I55 PolarHBondContact N-O 2.83Å; S34-I55 PolarHBondContact O-N 3.1Å; S34-I55 WeakPolarHBondContact OG-CB 3.11Å; S34-I55 WeakPolarHBondContact OG-CG1 3.41Å; L53-I55 HydrophobicContact CD1-CD1 4.32Å; L53-I55 HydrophobicContact CG-CD1 4.39Å; I55-Q74 HydrophobicContact CG2-CB 3.99Å; I55-Q74 HydrophobicContact CG2-CG 4.07Å; I55-S76 WeakPolarHBondContact CD1-OG 3.33Å
56K94.2Very high90.6Very high26 Ų2648.5 Ų48.511%0.11323%0.228CC..EExtended strand (participates in β ladder)trans-111.5146.4179.9-59.9-174.4-178.8-176.20111.3H31 V32 Q74 V75 V77H31-K56 CarbonylContact O-C 3.52Å; H31-K56 WeakPolarHBondContact O-CA 3.34Å; V32-K56 HydrophobicContact CG2-CG 4.4Å; K56-Q74 CarbonylContact O-C 3.5Å; K56-Q74 VanDerWaalsContact O-CA 3.25Å; K56-Q74 WeakPolarHBondContact O-CA 3.33Å; K56-V75 HydrophobicContact CB-CG1 3.85Å; K56-V75 PolarHBondContact N-O 3.05Å; K56-V75 PolarHBondContact O-N 3.11Å; K56-V77 HydrophobicContact CD-CG2 4.12Å; K56-V77 HydrophobicContact CG-CG2 4.41Å
57K92.2Very high89.9Confident102 Ų10249.4 Ų49.444%0.44322%0.22SC..EExtended strand (participates in β ladder)trans-74.6129.9169.4-169.4171.7-174.5164.30110.1H31 L33 Y148H31-K57 PolarHBondContact O-N 2.74Å; L33-K57 HydrophobicContact CD1-CB 4.34Å; L33-K57 HydrophobicContact CD2-CB 4.42Å; L33-K57 HydrophobicContact CG-CB 4.44Å; K57-Y148 PolarHBondContact O-OH 3.15Å
58I87.4Confident89.1Confident13 Ų1357 Ų577%0.06725%0.249CC..PPolyproline II helixtrans-65144.3174-64.8174.6000109.7K60 I62 L67 F70 G73 V75 Y100I58-K60 PolarHBondContact O-N 3.45Å; I58-I62 HydrophobicContact CG2-CB 4.07Å; I58-I62 HydrophobicContact CG2-CD1 3.59Å; I58-I62 HydrophobicContact CG2-CG1 4.45Å; I58-I62 HydrophobicContact CG2-CG2 3.73Å; I58-L67 HydrophobicContact CG2-CD2 4.44Å; I58-F70 HydrophobicContact CD1-CB 3.67Å; I58-F70 HydrophobicContact CD1-CD1 4.39Å; I58-F70 HydrophobicContact CD1-CD2 4.19Å; I58-F70 HydrophobicContact CD1-CG 3.8Å; I58-G73 PolarHBondContact N-O 2.99Å; I58-V75 HydrophobicContact CG1-CB 4.12Å; I58-V75 HydrophobicContact CG1-CG1 4.34Å; I58-Y100 HydrophobicContact CD1-CD2 3.97Å; I58-Y100 HydrophobicContact CD1-CE2 3.93Å; I58-Y100 HydrophobicContact CG1-CE2 4.29Å; I58-Y100 HydrophobicContact CG2-CE2 4.5Å
59S84.3Confident88.3Confident19 Ų1960 Ų6013%0.13326%0.26CS..PPolyproline II helixtrans-56.2129.8173.9-175.30000111.3R61 I62 Y148S59-R61 PolarHBondContact O-N 3.03Å; S59-R61 VanDerWaalsContact O-N 3.11Å; S59-R61 PolarHBondContact OG-N 2.81Å; S59-I62 WeakPolarHBondContact O-CB 3.32Å; S59-I62 VanDerWaalsContact O-CG2 3.24Å; S59-I62 WeakPolarHBondContact O-CG2 3.06Å; S59-I62 PolarHBondContact O-N 2.88Å; S59-Y148 VanDerWaalsContact CB-CD2 3.47Å
60K81.2Confident87.5Confident181 Ų18161 Ų6179%0.78727%0.265SS*.THydrogen-bonded Turntrans-61.6-17.6170.6-66.8-174.4177.5-1760113.1I58 I62I58-K60 PolarHBondContact O-N 3.45Å; K60-I62 VanDerWaalsContact C-N 3.31Å
61R82.2Confident86.3Confident165 Ų16567 Ų6762%0.62330%0.304SS*.THydrogen-bonded Turntrans-85.3-2.9178.1-61.1-178.3-179.3153.10.6113.1S59 T144 T147S59-R61 PolarHBondContact O-N 3.03Å; S59-R61 VanDerWaalsContact O-N 3.11Å; S59-R61 PolarHBondContact OG-N 2.81Å; R61-T144 WeakPolarHBondContact O-CG2 3.35Å; R61-T147 VanDerWaalsContact NH1-CG2 3.26Å
62I82.9Confident85.6Confident9 Ų974.4 Ų74.45%0.04634%0.336CS..SBendtrans-63.3147.1176.7-156.1164000109.7I58 S59 K60 F64 L66 L67 Y100I58-I62 HydrophobicContact CG2-CB 4.07Å; I58-I62 HydrophobicContact CG2-CD1 3.59Å; I58-I62 HydrophobicContact CG2-CG1 4.45Å; I58-I62 HydrophobicContact CG2-CG2 3.73Å; S59-I62 WeakPolarHBondContact O-CB 3.32Å; S59-I62 VanDerWaalsContact O-CG2 3.24Å; S59-I62 WeakPolarHBondContact O-CG2 3.06Å; S59-I62 PolarHBondContact O-N 2.88Å; K60-I62 VanDerWaalsContact C-N 3.31Å; I62-F64 PolarHBondContact O-N 2.86Å; I62-L66 HydrophobicContact CD1-CD2 3.38Å; I62-L66 HydrophobicContact CD1-CG 4.06Å; I62-L66 HydrophobicContact CG1-CB 4.4Å; I62-L66 HydrophobicContact CG1-CD2 3.75Å; I62-L66 HydrophobicContact CG1-CG 4.42Å; I62-L67 HydrophobicContact CG2-CD1 4.34Å; I62-L67 HydrophobicContact CG2-CD2 3.36Å; I62-L67 HydrophobicContact CG2-CG 3.66Å; I62-Y100 HydrophobicContact CD1-CE2 3.63Å; I62-Y100 WeakPolarHBondContact CD1-OH 3.34Å
63P80.3Confident85.2Confident20 Ų2075.2 Ų75.213%0.1335%0.345CS..  trans-53.9133.9177.5-29.437.1000112.5W65 L66 A140 V141P63-W65 HydrophobicContact CB-CD2 4.46Å; P63-W65 HydrophobicContact CB-CG 4.32Å; P63-W65 HydrophobicContact CB-CZ2 4.3Å; P63-W65 PolarHBondContact O-N 3.06Å; P63-W65 VanDerWaalsContact O-N 3.16Å; P63-L66 WeakPolarHBondContact O-CB 3.35Å; P63-L66 PolarHBondContact O-N 3.03Å; P63-A140 HydrophobicContact CG-CB 4.04Å; P63-V141 HydrophobicContact CG-CG2 3.98Å
64F82.2Confident84.9Confident172 Ų17276.7 Ų76.775%0.75435%0.35SS*.Hα-helixtrans-58.7-33.1-172.377.9-87.7000113.3I62 L66 L67I62-F64 PolarHBondContact O-N 2.86Å; F64-L66 PolarHBondContact O-N 2.78Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 2.95Å; F64-L67 VanDerWaalsContact O-N 3.09Å
65W79.5Confident84.7Confident57 Ų5777.4 Ų77.422%0.21636%0.355CS..Hα-helixtrans-60.9-30.2177.762.9-101000111.8P63 R68 F69 Y103 L133 L137 V141P63-W65 HydrophobicContact CB-CD2 4.46Å; P63-W65 HydrophobicContact CB-CG 4.32Å; P63-W65 HydrophobicContact CB-CZ2 4.3Å; P63-W65 PolarHBondContact O-N 3.06Å; P63-W65 VanDerWaalsContact O-N 3.16Å; W65-R68 WeakPolarHBondContact O-CB 3.31Å; W65-R68 PolarHBondContact O-N 2.74Å; W65-F69 HydrophobicContact CE3-CE2 4.19Å; W65-F69 WeakPolarHBondContact O-CD2 3.27Å; W65-Y103 HydrophobicContact CH2-CD1 4.31Å; W65-Y103 HydrophobicContact CZ3-CD1 4.07Å; W65-Y103 HydrophobicContact CZ3-CE1 4.19Å; W65-L133 HydrophobicContact CH2-CD1 3.6Å; W65-L133 HydrophobicContact CH2-CD2 4.09Å; W65-L133 HydrophobicContact CZ2-CD1 3.94Å; W65-L137 HydrophobicContact CZ2-CB 4.35Å; W65-L137 HydrophobicContact CZ2-CD2 4.23Å; W65-V141 HydrophobicContact CH2-CG2 4.32Å; W65-V141 HydrophobicContact CZ2-CG2 3.86Å
66L80.9Confident84.7Confident1 Ų178 Ų781%0.00536%0.362CS..Hα-helixtrans-75.2-33.5178.5-169.554000110.9I62 P63 F64 R68 F69 F70 Y100 Y103 V141I62-L66 HydrophobicContact CD1-CD2 3.38Å; I62-L66 HydrophobicContact CD1-CG 4.06Å; I62-L66 HydrophobicContact CG1-CB 4.4Å; I62-L66 HydrophobicContact CG1-CD2 3.75Å; I62-L66 HydrophobicContact CG1-CG 4.42Å; P63-L66 WeakPolarHBondContact O-CB 3.35Å; P63-L66 PolarHBondContact O-N 3.03Å; F64-L66 PolarHBondContact O-N 2.78Å; L66-R68 PolarHBondContact O-N 3.08Å; L66-F69 HydrophobicContact CD1-CD2 4.4Å; L66-F69 PolarHBondContact O-N 2.83Å; L66-F70 HydrophobicContact CD1-CD2 4.21Å; L66-F70 HydrophobicContact CD1-CE2 3.62Å; L66-F70 HydrophobicContact CG-CD2 4.26Å; L66-F70 HydrophobicContact CG-CE2 4.09Å; L66-F70 VanDerWaalsContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.06Å; L66-Y100 HydrophobicContact CD2-CE2 4.3Å; L66-Y103 HydrophobicContact CD1-CD1 4.23Å; L66-Y103 HydrophobicContact CD1-CD2 3.36Å; L66-Y103 HydrophobicContact CD1-CE2 3.82Å; L66-Y103 HydrophobicContact CD1-CG 3.56Å; L66-V141 HydrophobicContact CD2-CG2 4.36Å
67L81.5Confident84.8Confident68 Ų6877.3 Ų77.336%0.35636%0.359SS..Hα-helixtrans-59.3-30175.5-64.2174.8000112.4I58 I62 F64 F69 F70I58-L67 HydrophobicContact CG2-CD2 4.44Å; I62-L67 HydrophobicContact CG2-CD1 4.34Å; I62-L67 HydrophobicContact CG2-CD2 3.36Å; I62-L67 HydrophobicContact CG2-CG 3.66Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 2.95Å; F64-L67 VanDerWaalsContact O-N 3.09Å; L67-F69 PolarHBondContact O-N 2.89Å; L67-F70 CarbonylContact O-C 3.58Å; L67-F70 PolarHBondContact O-N 3.4Å
68R82.3Confident85.1Confident223 Ų22372.9 Ų72.984%0.84234%0.341SS*.THydrogen-bonded Turntrans-60-27.6176-172.7175.4173.9179.8-1.7113W65 L66W65-R68 WeakPolarHBondContact O-CB 3.31Å; W65-R68 PolarHBondContact O-N 2.74Å; L66-R68 PolarHBondContact O-N 3.08Å
69F80.8Confident85.6Confident107 Ų10772.7 Ų72.747%0.46934%0.34SS..THydrogen-bonded Turntrans-89.9-9.7178.2-59.6-73.6000113.5W65 L66 L67 Y103W65-F69 HydrophobicContact CE3-CE2 4.19Å; W65-F69 WeakPolarHBondContact O-CD2 3.27Å; L66-F69 HydrophobicContact CD1-CD2 4.4Å; L66-F69 PolarHBondContact O-N 2.83Å; L67-F69 PolarHBondContact O-N 2.89Å; F69-Y103 HydrophobicContact CB-CE2 4.33Å; F69-Y103 HydrophobicContact CD2-CE2 4.24Å; F69-Y103 AromaticContact CD2-CZ 4Å; F69-Y103 HydrophobicContact CG-CE2 4.25Å
70F82.4Confident86.3Confident25 Ų2572.2 Ų72.211%0.1134%0.335CS..  trans-128.974.3-179.1-59.3-75.1000110I58 L66 L67 K72 G73 A99 Y100 Y103I58-F70 HydrophobicContact CD1-CB 3.67Å; I58-F70 HydrophobicContact CD1-CD1 4.39Å; I58-F70 HydrophobicContact CD1-CD2 4.19Å; I58-F70 HydrophobicContact CD1-CG 3.8Å; L66-F70 HydrophobicContact CD1-CD2 4.21Å; L66-F70 HydrophobicContact CD1-CE2 3.62Å; L66-F70 HydrophobicContact CG-CD2 4.26Å; L66-F70 HydrophobicContact CG-CE2 4.09Å; L66-F70 VanDerWaalsContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.06Å; L67-F70 CarbonylContact O-C 3.58Å; L67-F70 PolarHBondContact O-N 3.4Å; F70-K72 PolarHBondContact O-N 3.4Å; F70-K72 VanDerWaalsContact O-N 3.14Å; F70-G73 WeakPolarHBondContact O-CA 3.36Å; F70-G73 PolarHBondContact O-N 3.06Å; F70-A99 HydrophobicContact CE1-CB 3.83Å; F70-A99 HydrophobicContact CZ-CB 4.1Å; F70-Y100 HydrophobicContact CD1-CD2 4.42Å; F70-Y100 AromaticContact CD2-CD2 3.98Å; F70-Y100 HydrophobicContact CD2-CD2 3.98Å; F70-Y100 HydrophobicContact CE1-CD2 4.15Å; F70-Y100 HydrophobicContact CE1-CG 4.43Å; F70-Y100 VanDerWaalsContact CE1-N 3.31Å; F70-Y100 AromaticContact CE2-CD2 3.7Å; F70-Y100 HydrophobicContact CE2-CD2 3.7Å; F70-Y100 HydrophobicContact CE2-CG 4.47Å; F70-Y100 HydrophobicContact CG-CD2 4.38Å; F70-Y100 AromaticContact CZ-CD2 3.84Å; F70-Y100 HydrophobicContact CZ-CD2 3.84Å; F70-Y100 HydrophobicContact CZ-CG 4.2Å; F70-Y100 VanDerWaalsContact CZ-N 3.27Å; F70-Y103 HydrophobicContact CE2-CD2 4.15Å; F70-Y103 HydrophobicContact CE2-CE2 4.3Å; F70-Y103 HydrophobicContact CZ-CD2 4.25Å; F70-Y103 HydrophobicContact CZ-CE2 4.36Å
71P73.7Confident87.1Confident126 Ų12663.6 Ų63.682%0.81830%0.298SS*.THydrogen-bonded Turntrans-60.6-30.1-172.222.8-33.7000113.3G73P71-G73 VanDerWaalsContact C-N 3.28Å; P71-G73 PolarHBondContact O-N 2.81Å
72K84Confident87.9Confident172 Ų17256.2 Ų56.275%0.74827%0.27SS*.THydrogen-bonded Turntrans-77.9-11174.8-65.1-175.2178.7179.80113.5F70 Q74F70-K72 PolarHBondContact O-N 3.4Å; F70-K72 VanDerWaalsContact O-N 3.14Å; K72-Q74 HydrophobicContact CB-CB 4.31Å; K72-Q74 HydrophobicContact CB-CG 4.26Å; K72-Q74 WeakPolarHBondContact O-CG 2.85Å; K72-Q74 PolarHBondContact O-N 2.81Å
73G87.7Confident88.6Confident18 Ų1856.3 Ų56.319%0.18627%0.271CS..  trans59.234.9-174.300000112.6I58 F70 P71I58-G73 PolarHBondContact N-O 2.99Å; F70-G73 WeakPolarHBondContact O-CA 3.36Å; F70-G73 PolarHBondContact O-N 3.06Å; P71-G73 VanDerWaalsContact C-N 3.28Å; P71-G73 PolarHBondContact O-N 2.81Å
74Q91.7Very high89.5Confident77 Ų7757.4 Ų57.436%0.3628%0.276SS..EExtended strand (participates in β ladder)trans-124.7148.9-175-72.1173.4-1.700111L33 I55 K56 K72L33-Q74 HydrophobicContact CD1-CG 3.67Å; L33-Q74 VanDerWaalsContact CD1-NE2 3.26Å; I55-Q74 HydrophobicContact CG2-CB 3.99Å; I55-Q74 HydrophobicContact CG2-CG 4.07Å; K56-Q74 CarbonylContact O-C 3.5Å; K56-Q74 VanDerWaalsContact O-CA 3.25Å; K56-Q74 WeakPolarHBondContact O-CA 3.33Å; K72-Q74 HydrophobicContact CB-CB 4.31Å; K72-Q74 HydrophobicContact CB-CG 4.26Å; K72-Q74 WeakPolarHBondContact O-CG 2.85Å; K72-Q74 PolarHBondContact O-N 2.81Å
75V93Very high90.2Very high17 Ų1754 Ų5410%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-127.9133.8174.563.60000109.5K56 I58 N96 Y100K56-V75 HydrophobicContact CB-CG1 3.85Å; K56-V75 PolarHBondContact N-O 3.05Å; K56-V75 PolarHBondContact O-N 3.11Å; I58-V75 HydrophobicContact CG1-CB 4.12Å; I58-V75 HydrophobicContact CG1-CG1 4.34Å; V75-N96 HydrophobicContact CG2-CB 3.78Å; V75-Y100 HydrophobicContact CB-CG 4.49Å; V75-Y100 HydrophobicContact CG2-CD1 3.85Å; V75-Y100 HydrophobicContact CG2-CD2 4.43Å; V75-Y100 HydrophobicContact CG2-CE1 4.44Å; V75-Y100 HydrophobicContact CG2-CG 3.82Å
76S94.7Very high91Very high41 Ų4158.7 Ų58.729%0.28730%0.298SS..EExtended strand (participates in β ladder)trans-89.5135.5175.8-49.70000110.2I55 N96 F97I55-S76 WeakPolarHBondContact CD1-OG 3.33Å; S76-N96 VanDerWaalsContact O-CA 3.28Å; S76-N96 WeakPolarHBondContact O-CA 3.5Å; S76-F97 WeakPolarHBondContact O-CD1 3.38Å; S76-F97 PolarHBondContact O-N 3.36Å
77V96.5Very high91.8Very high10 Ų1060.9 Ų60.96%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-129.3128.9-177.7179.20000108.8L54 K56 K95 N96L54-V77 HydrophobicContact CB-CB 4.36Å; L54-V77 PolarHBondContact N-O 2.82Å; L54-V77 PolarHBondContact O-N 2.81Å; K56-V77 HydrophobicContact CD-CG2 4.12Å; K56-V77 HydrophobicContact CG-CG2 4.41Å; V77-K95 CarbonylContact C-O 3.54Å; V77-K95 WeakPolarHBondContact CA-O 3.32Å; V77-N96 HydrophobicContact CG2-CB 4.27Å
78V98.1Very high92.6Very high9 Ų960.3 Ų60.36%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-90.9128.5166.2176.90000107.6K51 R52 E80 S94 K95 F97 Y199K51-V78 HydrophobicContact CD-CG1 4.15Å; K51-V78 HydrophobicContact CG-CG1 3.87Å; R52-V78 WeakPolarHBondContact O-CA 3.47Å; V78-E80 HydrophobicContact CG1-CG 4.39Å; V78-S94 CarbonylContact O-C 3.5Å; V78-S94 WeakPolarHBondContact O-CA 3.43Å; V78-K95 PolarHBondContact N-O 3.42Å; V78-K95 PolarHBondContact O-N 3.14Å; V78-F97 HydrophobicContact CG2-CD1 3.67Å; V78-F97 HydrophobicContact CG2-CE1 3.64Å; V78-F97 HydrophobicContact CG2-CG 4.48Å; V78-F97 HydrophobicContact CG2-CZ 4.46Å; V78-Y199 HydrophobicContact CG2-CD2 4.44Å; V78-Y199 HydrophobicContact CG2-CE2 4.35Å
79E97.9Very high93.4Very high10 Ų1052.8 Ų52.85%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-113.7123.6171.7-175.4-170.789.700108.7R23 K51 R52 L54 V92 V93 S94R23-E79 IonicContact NH2-OE1 2.86Å; R23-E79 PolarHBondContact NH2-OE1 3.3Å; R23-E79 IonicContact NH2-OE2 2.63Å; R23-E79 PolarHBondContact NH2-OE2 2.99Å; R23-E79 VanDerWaalsContact NH2-OE2 3.09Å; K51-E79 CarbonylContact C-O 3.56Å; K51-E79 WeakPolarHBondContact CA-O 3.39Å; R52-E79 HydrophobicContact CB-CB 4.47Å; R52-E79 IonicContact CZ-OE1 3.73Å; R52-E79 PolarHBondContact N-O 3.24Å; R52-E79 IonicContact NE-OE1 2.84Å; R52-E79 PolarHBondContact NE-OE1 3.16Å; R52-E79 IonicContact NH2-OE1 3.55Å; R52-E79 PolarHBondContact NH2-OE1 2.91Å; R52-E79 IonicContact NH2-OE2 3.93Å; R52-E79 PolarHBondContact O-N 3.19Å; L54-E79 HydrophobicContact CD1-CB 3.46Å; L54-E79 VanDerWaalsContact CD1-CB 3.46Å; L54-E79 HydrophobicContact CD1-CG 4.49Å; E79-V92 HydrophobicContact CG-CG1 3.37Å; E79-V93 CarbonylContact C-O 3.52Å; E79-V93 WeakPolarHBondContact CA-O 3.24Å; E79-S94 WeakPolarHBondContact CG-OG 3.44Å
80E98.5Very high94.2Very high9 Ų947.7 Ų47.74%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-108.5141.1169.3-69.3179-175.200108.4Y49 T50 K51 V78 V92 V93 R206 I207Y49-E80 HydrophobicContact CE2-CB 4.12Å; Y49-E80 HydrophobicContact CE2-CG 4.19Å; T50-E80 CarbonylContact O-C 3.5Å; T50-E80 WeakPolarHBondContact O-CA 3.41Å; K51-E80 HydrophobicContact CB-CG 4.34Å; K51-E80 WeakPolarHBondContact CE-OE1 3.39Å; K51-E80 HydrophobicContact CG-CG 4.08Å; K51-E80 IonicContact NZ-OE1 3.8Å; K51-E80 PolarHBondContact NZ-OE1 3.34Å; V78-E80 HydrophobicContact CG1-CG 4.39Å; E80-V92 CarbonylContact O-C 3.55Å; E80-V92 WeakPolarHBondContact O-CA 3.26Å; E80-V93 PolarHBondContact N-O 2.79Å; E80-V93 PolarHBondContact O-N 2.88Å; E80-R206 PolarHBondContact OE2-N 3.5Å; E80-I207 HydrophobicContact CB-CD1 4.49Å; E80-I207 HydrophobicContact CB-CG1 4.41Å
81S98.5Very high95Very high0 Ų046.8 Ų46.80%026%0.262CS..EExtended strand (participates in β ladder)trans-143.3150.2176.755.60000112.1W21 Y49 T50 D91W21-S81 WeakPolarHBondContact CH2-OG 3.48Å; Y49-S81 CarbonylContact C-O 3.59Å; Y49-S81 WeakPolarHBondContact CA-O 3.32Å; T50-S81 PolarHBondContact N-O 2.68Å; T50-S81 PolarHBondContact O-N 3.39Å; T50-S81 PolarHBondContact O-OG 2.82Å; S81-D91 CarbonylContact C-O 3.54Å; S81-D91 WeakPolarHBondContact CA-O 3.4Å; S81-D91 VanDerWaalsContact CB-O 3.27Å; S81-D91 WeakPolarHBondContact CB-O 3.44Å
82I98.6Very high96.2Very high9 Ų941.1 Ų41.15%0.04623%0.225CC..EExtended strand (participates in β ladder)trans-123.4125.2170.6-69.7168.3000107.2L43 R47 L48 Y49 V90 D91 I207L43-I82 HydrophobicContact CD1-CD1 4.13Å; L43-I82 HydrophobicContact CD1-CG1 4.27Å; R47-I82 HydrophobicContact CB-CG2 3.89Å; L48-I82 CarbonylContact O-C 3.58Å; L48-I82 WeakPolarHBondContact O-CA 3.5Å; Y49-I82 HydrophobicContact CD2-CG1 4.15Å; I82-V90 WeakPolarHBondContact O-CA 3.35Å; I82-D91 PolarHBondContact N-O 2.79Å; I82-D91 PolarHBondContact O-N 2.86Å; I82-I207 HydrophobicContact CB-CD1 4.13Å; I82-I207 HydrophobicContact CD1-CB 4.01Å; I82-I207 HydrophobicContact CD1-CD1 3.89Å; I82-I207 HydrophobicContact CD1-CG1 4.29Å; I82-I207 HydrophobicContact CD1-CG2 4.42Å; I82-I207 HydrophobicContact CG1-CD1 3.74Å
83I98.6Very high96.9Very high12 Ų1233.9 Ų33.96%0.06220%0.196CC..EExtended strand (participates in β ladder)trans-107.2114.7172-59.6177.2000107.7W13 T17 F20 W21 L48 V85 V90W13-I83 HydrophobicContact CH2-CG2 4.47Å; T17-I83 HydrophobicContact CG2-CG2 4.06Å; F20-I83 HydrophobicContact CD1-CD1 4.29Å; W21-I83 HydrophobicContact CZ2-CD1 3.85Å; L48-I83 HydrophobicContact CB-CB 4.32Å; L48-I83 PolarHBondContact N-O 2.82Å; L48-I83 PolarHBondContact O-N 3.41Å; I83-V85 HydrophobicContact CG2-CG2 4.16Å; I83-V90 HydrophobicContact CG1-CB 4.45Å; I83-V90 HydrophobicContact CG1-CG1 3.87Å; I83-V90 HydrophobicContact CG1-CG2 4.01Å; I83-V90 HydrophobicContact CG2-CG2 4.25Å
84D98.3Very high97.3Very high43 Ų4333.4 Ų33.423%0.2319%0.19CC..EExtended strand (participates in β ladder)trans-102.1104.4170.3-172-9.6000109.1W13 R47 N86 G87 Q88 R89W13-D84 WeakPolarHBondContact CH2-O 3.43Å; R47-D84 HydrophobicContact CG-CB 3.89Å; D84-N86 PolarHBondContact OD1-N 2.87Å; D84-N86 VanDerWaalsContact OD1-N 3.09Å; D84-G87 VanDerWaalsContact CG-N 3.32Å; D84-G87 PolarHBondContact OD1-N 3.17Å; D84-Q88 WeakPolarHBondContact O-CA 3.38Å; D84-Q88 PolarHBondContact O-N 3.34Å; D84-R89 HydrophobicContact CB-CB 4.5Å; D84-R89 PolarHBondContact N-O 3.41Å; D84-R89 PolarHBondContact O-N 2.75Å
85V97.4Very high97.6Very high101 Ų10133.4 Ų33.461%0.61219%0.188SC*.THydrogen-bonded Turntrans-72.7-36.9179.8179.60000111I83 Q88I83-V85 HydrophobicContact CG2-CG2 4.16Å; V85-Q88 PolarHBondContact O-N 2.88Å
86N96.9Very high97.7Very high154 Ų15432.7 Ų32.782%0.82418%0.184SC*.THydrogen-bonded Turntrans-73.3-42.1-178.5-64.8-29.6000110.8D84 Q88D84-N86 PolarHBondContact OD1-N 2.87Å; D84-N86 VanDerWaalsContact OD1-N 3.09Å; N86-Q88 VanDerWaalsContact C-N 3.27Å; N86-Q88 PolarHBondContact O-N 2.85Å
87G97.5Very high97.7Very high48 Ų4833 Ų3350%0.49518%0.18SC..THydrogen-bonded Turntrans-81.21.6174.200000114.7D84 R89D84-G87 VanDerWaalsContact CG-N 3.32Å; D84-G87 PolarHBondContact OD1-N 3.17Å; G87-R89 VanDerWaalsContact C-N 3.33Å; G87-R89 PolarHBondContact O-N 3.28Å
88Q98.1Very high97.4Very high55 Ų5534.7 Ų34.726%0.25720%0.199SC..THydrogen-bonded Turntrans45.752.5-177.1-60.9-170.1-34.400113.5W13 E14 D84 V85 N86 P114W13-Q88 HydrophobicContact CD2-CB 4.03Å; W13-Q88 HydrophobicContact CE3-CB 3.89Å; W13-Q88 HydrophobicContact CE3-CG 4.11Å; W13-Q88 HydrophobicContact CZ3-CB 4.16Å; W13-Q88 HydrophobicContact CZ3-CG 4.24Å; W13-Q88 PolarHBondContact NE1-O 3.42Å; E14-Q88 PolarHBondContact OE1-NE2 2.74Å; D84-Q88 WeakPolarHBondContact O-CA 3.38Å; D84-Q88 PolarHBondContact O-N 3.34Å; V85-Q88 PolarHBondContact O-N 2.88Å; N86-Q88 VanDerWaalsContact C-N 3.27Å; N86-Q88 PolarHBondContact O-N 2.85Å; Q88-P114 HydrophobicContact CB-CG 3.78Å; Q88-P114 WeakPolarHBondContact O-CD 3.18Å; Q88-P114 VanDerWaalsContact OE1-CG 3.26Å
89R98.3Very high96.8Very high66 Ų6636.7 Ų36.725%0.24922%0.217CC..EExtended strand (participates in β ladder)trans-140135.4-174.5-177.4173.617894.8-2.9112.3D84 G87 D91 Y109 L112 V113D84-R89 HydrophobicContact CB-CB 4.5Å; D84-R89 PolarHBondContact N-O 3.41Å; D84-R89 PolarHBondContact O-N 2.75Å; G87-R89 VanDerWaalsContact C-N 3.33Å; G87-R89 PolarHBondContact O-N 3.28Å; R89-D91 WeakPolarHBondContact CD-OD2 3.18Å; R89-D91 IonicContact CZ-OD1 2.77Å; R89-D91 VanDerWaalsContact CZ-OD1 3.32Å; R89-D91 IonicContact CZ-OD2 3.12Å; R89-D91 VanDerWaalsContact NE-CG 3.33Å; R89-D91 IonicContact NE-OD1 3.32Å; R89-D91 PolarHBondContact NE-OD1 2.92Å; R89-D91 IonicContact NE-OD2 3.66Å; R89-D91 PolarHBondContact NE-OD2 2.89Å; R89-D91 IonicContact NH2-OD1 3.29Å; R89-D91 PolarHBondContact NH2-OD1 2.98Å; R89-D91 IonicContact NH2-OD2 2.7Å; R89-Y109 PolarHBondContact NH2-OH 2.92Å; R89-L112 WeakPolarHBondContact CA-O 3.22Å; R89-V113 HydrophobicContact CB-CG1 4.18Å; R89-V113 HydrophobicContact CG-CG1 3.85Å
90V98.6Very high96.3Very high0 Ų037.1 Ų37.10%022%0.218CC..EExtended strand (participates in β ladder)trans-116.2123.6165.8-174.10000108.7W13 T17 F20 I82 I83 V92 S111 L112W13-V90 HydrophobicContact CZ2-CG2 3.68Å; T17-V90 HydrophobicContact CG2-CG2 3.61Å; F20-V90 HydrophobicContact CD2-CG1 4.13Å; F20-V90 HydrophobicContact CE2-CG1 3.65Å; F20-V90 HydrophobicContact CZ-CG1 3.89Å; I82-V90 WeakPolarHBondContact O-CA 3.35Å; I83-V90 HydrophobicContact CG1-CB 4.45Å; I83-V90 HydrophobicContact CG1-CG1 3.87Å; I83-V90 HydrophobicContact CG1-CG2 4.01Å; I83-V90 HydrophobicContact CG2-CG2 4.25Å; V90-V92 HydrophobicContact CG1-CG2 3.86Å; V90-S111 CarbonylContact O-C 3.54Å; V90-S111 VanDerWaalsContact O-CA 3.22Å; V90-S111 WeakPolarHBondContact O-CA 3.26Å; V90-L112 HydrophobicContact CB-CB 4.13Å; V90-L112 HydrophobicContact CB-CD1 4.34Å; V90-L112 HydrophobicContact CG2-CB 4.46Å; V90-L112 PolarHBondContact N-O 2.9Å; V90-L112 PolarHBondContact O-N 2.63Å
91D98.6Very high95.9Very high5 Ų540.3 Ų40.33%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-107.3136.8169.8-72.4-72.2000109.6S81 I82 R89 Y109 I207S81-D91 CarbonylContact C-O 3.54Å; S81-D91 WeakPolarHBondContact CA-O 3.4Å; S81-D91 VanDerWaalsContact CB-O 3.27Å; S81-D91 WeakPolarHBondContact CB-O 3.44Å; I82-D91 PolarHBondContact N-O 2.79Å; I82-D91 PolarHBondContact O-N 2.86Å; R89-D91 WeakPolarHBondContact CD-OD2 3.18Å; R89-D91 IonicContact CZ-OD1 2.77Å; R89-D91 VanDerWaalsContact CZ-OD1 3.32Å; R89-D91 IonicContact CZ-OD2 3.12Å; R89-D91 VanDerWaalsContact NE-CG 3.33Å; R89-D91 IonicContact NE-OD1 3.32Å; R89-D91 PolarHBondContact NE-OD1 2.92Å; R89-D91 IonicContact NE-OD2 3.66Å; R89-D91 PolarHBondContact NE-OD2 2.89Å; R89-D91 IonicContact NH2-OD1 3.29Å; R89-D91 PolarHBondContact NH2-OD1 2.98Å; R89-D91 IonicContact NH2-OD2 2.7Å; D91-Y109 HydrophobicContact CB-CE2 4.26Å; D91-Y109 WeakPolarHBondContact OD1-CE2 3.33Å; D91-Y109 PolarHBondContact OD1-OH 3.25Å; D91-I207 HydrophobicContact CB-CD1 4.38Å; D91-I207 HydrophobicContact CB-CG2 3.96Å
92V98.4Very high95.4Very high7 Ų747.5 Ų47.54%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-136.4128.4-178.4-167.30000109.1F20 E79 E80 V90 Y109 C110F20-V92 HydrophobicContact CE2-CG2 3.73Å; F20-V92 HydrophobicContact CZ-CG2 3.47Å; F20-V92 VanDerWaalsContact CZ-CG2 3.47Å; E79-V92 HydrophobicContact CG-CG1 3.37Å; E80-V92 CarbonylContact O-C 3.55Å; E80-V92 WeakPolarHBondContact O-CA 3.26Å; V90-V92 HydrophobicContact CG1-CG2 3.86Å; V92-Y109 CarbonylContact O-C 3.51Å; V92-Y109 WeakPolarHBondContact O-CA 3.37Å; V92-C110 HydrophobicContact CB-CB 4.22Å; V92-C110 PolarHBondContact N-O 3.12Å; V92-C110 PolarHBondContact O-N 3.49Å
93V98.3Very high95.1Very high21 Ų2149.4 Ų49.413%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-119.9122.2172.1177.80000108.4E79 E80 K95 E108 Y109 I207E79-V93 CarbonylContact C-O 3.52Å; E79-V93 WeakPolarHBondContact CA-O 3.24Å; E80-V93 PolarHBondContact N-O 2.79Å; E80-V93 PolarHBondContact O-N 2.88Å; V93-K95 HydrophobicContact CG1-CG 4.44Å; V93-E108 CarbonylContact C-O 3.51Å; V93-E108 WeakPolarHBondContact CA-O 3.13Å; V93-Y109 HydrophobicContact CG2-CD2 3.98Å; V93-I207 HydrophobicContact CB-CG1 4.46Å; V93-I207 HydrophobicContact CG2-CB 4.47Å; V93-I207 HydrophobicContact CG2-CG1 3.98Å; V93-I207 HydrophobicContact CG2-CG2 4.41Å
94S97.4Very high94.8Very high8 Ų848.8 Ų48.86%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-115.2135.3175.4-75.80000110.8V78 E79 G107 E108V78-S94 CarbonylContact O-C 3.5Å; V78-S94 WeakPolarHBondContact O-CA 3.43Å; E79-S94 WeakPolarHBondContact CG-OG 3.44Å; S94-G107 CarbonylContact O-C 3.45Å; S94-G107 WeakPolarHBondContact O-CA 3.26Å; S94-E108 PolarHBondContact N-O 3.38Å; S94-E108 PolarHBondContact O-N 2.7Å
95K97.6Very high94.6Very high76 Ų7648.7 Ų48.733%0.3327%0.266SS..EExtended strand (participates in β ladder)trans-140.1134.3174.6-67.4-178-179.1175.40111V77 V78 V93 V106V77-K95 CarbonylContact C-O 3.54Å; V77-K95 WeakPolarHBondContact CA-O 3.32Å; V78-K95 PolarHBondContact N-O 3.42Å; V78-K95 PolarHBondContact O-N 3.14Å; V93-K95 HydrophobicContact CG1-CG 4.44Å; K95-V106 WeakPolarHBondContact CA-O 3.35Å
96N95.6Very high94.6Very high3 Ų345.8 Ų45.82%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-72.6154168.973.8-70.3000111.3V75 S76 V77 Y100 K101 L104 V106V75-N96 HydrophobicContact CG2-CB 3.78Å; S76-N96 VanDerWaalsContact O-CA 3.28Å; S76-N96 WeakPolarHBondContact O-CA 3.5Å; V77-N96 HydrophobicContact CG2-CB 4.27Å; N96-Y100 WeakPolarHBondContact ND2-CD1 3.29Å; N96-K101 PolarHBondContact ND2-N 3.34Å; N96-L104 PolarHBondContact ND2-O 2.65Å; N96-V106 PolarHBondContact N-O 2.97Å; N96-V106 WeakPolarHBondContact OD1-CA 3.43Å; N96-V106 WeakPolarHBondContact OD1-CB 3.22Å; N96-V106 PolarHBondContact OD1-N 3.32Å; N96-V106 PolarHBondContact OD1-O 2.83Å
97F93.8Very high94.6Very high48 Ų4839 Ų3921%0.21121%0.214CC..  trans-139.8-177176.871-81.5000111.9L53 S76 V78 Y199L53-F97 HydrophobicContact CD1-CE1 3.49Å; L53-F97 VanDerWaalsContact CD1-CE1 3.49Å; L53-F97 HydrophobicContact CD1-CZ 3.57Å; S76-F97 WeakPolarHBondContact O-CD1 3.38Å; S76-F97 PolarHBondContact O-N 3.36Å; V78-F97 HydrophobicContact CG2-CD1 3.67Å; V78-F97 HydrophobicContact CG2-CE1 3.64Å; V78-F97 HydrophobicContact CG2-CG 4.48Å; V78-F97 HydrophobicContact CG2-CZ 4.46Å; F97-Y199 HydrophobicContact CB-CE2 3.7Å; F97-Y199 HydrophobicContact CD2-CE2 4.49Å; F97-Y199 HydrophobicContact CG-CE2 4.09Å
98G89.8Confident94.6Very high44 Ų4438.6 Ų38.645%0.45420%0.2SC..G310 helixtrans74-158.9-178.300000112.9Y100 K101G98-Y100 PolarHBondContact O-N 3.07Å; G98-K101 WeakPolarHBondContact O-CB 3.41Å; G98-K101 PolarHBondContact O-N 3.33Å; G98-K101 VanDerWaalsContact O-N 3.1Å
99A86.6Confident94.6Very high52 Ų5237.7 Ų37.743%0.4319%0.194SC..G310 helixtrans-58.4-27-17200000114.1F70 K101 K102F70-A99 HydrophobicContact CE1-CB 3.83Å; F70-A99 HydrophobicContact CZ-CB 4.1Å; A99-K101 VanDerWaalsContact C-N 3.3Å; A99-K101 PolarHBondContact O-N 3.21Å; A99-K102 WeakPolarHBondContact O-CB 3.43Å; A99-K102 PolarHBondContact O-N 2.81Å
100Y86.9Confident94.6Very high19 Ų1935.2 Ų35.28%0.07519%0.187CC..G310 helixtrans-64-35.7179.6-166.1-91.3000112.4I58 I62 L66 F70 V75 N96 G98 K102 Y103 L104 V106I58-Y100 HydrophobicContact CD1-CD2 3.97Å; I58-Y100 HydrophobicContact CD1-CE2 3.93Å; I58-Y100 HydrophobicContact CG1-CE2 4.29Å; I58-Y100 HydrophobicContact CG2-CE2 4.5Å; I62-Y100 HydrophobicContact CD1-CE2 3.63Å; I62-Y100 WeakPolarHBondContact CD1-OH 3.34Å; L66-Y100 HydrophobicContact CD2-CE2 4.3Å; F70-Y100 HydrophobicContact CD1-CD2 4.42Å; F70-Y100 AromaticContact CD2-CD2 3.98Å; F70-Y100 HydrophobicContact CD2-CD2 3.98Å; F70-Y100 HydrophobicContact CE1-CD2 4.15Å; F70-Y100 HydrophobicContact CE1-CG 4.43Å; F70-Y100 VanDerWaalsContact CE1-N 3.31Å; F70-Y100 AromaticContact CE2-CD2 3.7Å; F70-Y100 HydrophobicContact CE2-CD2 3.7Å; F70-Y100 HydrophobicContact CE2-CG 4.47Å; F70-Y100 HydrophobicContact CG-CD2 4.38Å; F70-Y100 AromaticContact CZ-CD2 3.84Å; F70-Y100 HydrophobicContact CZ-CD2 3.84Å; F70-Y100 HydrophobicContact CZ-CG 4.2Å; F70-Y100 VanDerWaalsContact CZ-N 3.27Å; V75-Y100 HydrophobicContact CB-CG 4.49Å; V75-Y100 HydrophobicContact CG2-CD1 3.85Å; V75-Y100 HydrophobicContact CG2-CD2 4.43Å; V75-Y100 HydrophobicContact CG2-CE1 4.44Å; V75-Y100 HydrophobicContact CG2-CG 3.82Å; N96-Y100 WeakPolarHBondContact ND2-CD1 3.29Å; G98-Y100 PolarHBondContact O-N 3.07Å; Y100-K102 PolarHBondContact O-N 3.44Å; Y100-K102 VanDerWaalsContact O-N 3.15Å; Y100-Y103 PolarHBondContact O-N 2.87Å; Y100-L104 HydrophobicContact CD1-CB 4.47Å; Y100-L104 WeakPolarHBondContact CD1-O 3.32Å; Y100-L104 HydrophobicContact CE1-CB 3.95Å; Y100-L104 HydrophobicContact CE1-CD2 3.91Å; Y100-L104 HydrophobicContact CE1-CG 4.32Å; Y100-L104 PolarHBondContact O-N 3.09Å; Y100-V106 HydrophobicContact CE1-CG2 4.42Å
101K90.1Very high94.5Very high76 Ų7635.7 Ų35.733%0.3319%0.19SC..G310 helixtrans-57.7-28.5177.3178.4179.7169.4-1750113N96 G98 A99 Y103 L104 L105 E198N96-K101 PolarHBondContact ND2-N 3.34Å; G98-K101 WeakPolarHBondContact O-CB 3.41Å; G98-K101 PolarHBondContact O-N 3.33Å; G98-K101 VanDerWaalsContact O-N 3.1Å; A99-K101 VanDerWaalsContact C-N 3.3Å; A99-K101 PolarHBondContact O-N 3.21Å; K101-Y103 PolarHBondContact O-N 2.77Å; K101-L104 WeakPolarHBondContact CA-O 3.37Å; K101-L105 HydrophobicContact CD-CD1 4.32Å; K101-L105 HydrophobicContact CG-CB 4.48Å; K101-L105 HydrophobicContact CG-CD1 4.14Å; K101-E198 IonicContact NZ-OE1 2.74Å; K101-E198 PolarHBondContact NZ-OE1 2.8Å; K101-E198 IonicContact NZ-OE2 2.78Å
102K88.9Confident94.5Very high150 Ų15035.6 Ų35.665%0.65219%0.19SC*.G310 helixtrans-59.7-29.8177.9-63.7-176.5177.9-177.90112.5A99 Y100 S132A99-K102 WeakPolarHBondContact O-CB 3.43Å; A99-K102 PolarHBondContact O-N 2.81Å; Y100-K102 PolarHBondContact O-N 3.44Å; Y100-K102 VanDerWaalsContact O-N 3.15Å; K102-S132 PolarHBondContact O-OG 2.69Å
103Y90.7Very high94.5Very high49 Ų4936.7 Ų36.719%0.19220%0.197CC..THydrogen-bonded Turntrans-106.1-36.9-177.3-56.2-71.2000112.2W65 L66 F69 F70 Y100 K101 S131 L133W65-Y103 HydrophobicContact CH2-CD1 4.31Å; W65-Y103 HydrophobicContact CZ3-CD1 4.07Å; W65-Y103 HydrophobicContact CZ3-CE1 4.19Å; L66-Y103 HydrophobicContact CD1-CD1 4.23Å; L66-Y103 HydrophobicContact CD1-CD2 3.36Å; L66-Y103 HydrophobicContact CD1-CE2 3.82Å; L66-Y103 HydrophobicContact CD1-CG 3.56Å; F69-Y103 HydrophobicContact CB-CE2 4.33Å; F69-Y103 HydrophobicContact CD2-CE2 4.24Å; F69-Y103 AromaticContact CD2-CZ 4Å; F69-Y103 HydrophobicContact CG-CE2 4.25Å; F70-Y103 HydrophobicContact CE2-CD2 4.15Å; F70-Y103 HydrophobicContact CE2-CE2 4.3Å; F70-Y103 HydrophobicContact CZ-CD2 4.25Å; F70-Y103 HydrophobicContact CZ-CE2 4.36Å; Y100-Y103 PolarHBondContact O-N 2.87Å; K101-Y103 PolarHBondContact O-N 2.77Å; Y103-S131 WeakPolarHBondContact O-CB 3.32Å; Y103-S131 PolarHBondContact O-OG 3.42Å; Y103-L133 HydrophobicContact CD1-CD2 4.08Å
104L92.6Very high94.5Very high0 Ų037 Ų370%020%0.199CC..  trans-151.3120.8-179.5-176.272000111N96 Y100 K101 V106 L129 E130 V141 M142 S145N96-L104 PolarHBondContact ND2-O 2.65Å; Y100-L104 HydrophobicContact CD1-CB 4.47Å; Y100-L104 WeakPolarHBondContact CD1-O 3.32Å; Y100-L104 HydrophobicContact CE1-CB 3.95Å; Y100-L104 HydrophobicContact CE1-CD2 3.91Å; Y100-L104 HydrophobicContact CE1-CG 4.32Å; Y100-L104 PolarHBondContact O-N 3.09Å; K101-L104 WeakPolarHBondContact CA-O 3.37Å; L104-V106 HydrophobicContact CD2-CG2 3.56Å; L104-V106 HydrophobicContact CG-CG2 3.74Å; L104-L129 HydrophobicContact CD1-CD2 4.48Å; L104-E130 CarbonylContact C-O 3.6Å; L104-E130 WeakPolarHBondContact CA-O 3.5Å; L104-V141 HydrophobicContact CB-CG1 3.98Å; L104-V141 HydrophobicContact CD1-CG1 3.97Å; L104-V141 HydrophobicContact CD2-CG1 3.84Å; L104-V141 HydrophobicContact CG-CG1 4.16Å; L104-M142 HydrophobicContact CD1-SD 3.93Å; L104-S145 WeakPolarHBondContact CD2-OG 3.47Å
105L95.4Very high94.6Very high40 Ų4037.6 Ų37.621%0.20920%0.203CC..EExtended strand (participates in β ladder)trans-92.3127.6162.6179.166.5000108.9K101 L129 E130K101-L105 HydrophobicContact CD-CD1 4.32Å; K101-L105 HydrophobicContact CG-CB 4.48Å; K101-L105 HydrophobicContact CG-CD1 4.14Å; L105-L129 WeakPolarHBondContact O-CA 3.23Å; L105-E130 HydrophobicContact CB-CB 4.21Å; L105-E130 PolarHBondContact N-O 3.1Å; L105-E130 PolarHBondContact O-N 2.99Å
106V95.8Very high94.5Very high41 Ų4142.2 Ų42.225%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-121.6104.8179.2-174.80000105.7K95 N96 Y100 L104 L127 L129K95-V106 WeakPolarHBondContact CA-O 3.35Å; N96-V106 PolarHBondContact N-O 2.97Å; N96-V106 WeakPolarHBondContact OD1-CA 3.43Å; N96-V106 WeakPolarHBondContact OD1-CB 3.22Å; N96-V106 PolarHBondContact OD1-N 3.32Å; N96-V106 PolarHBondContact OD1-O 2.83Å; Y100-V106 HydrophobicContact CE1-CG2 4.42Å; L104-V106 HydrophobicContact CD2-CG2 3.56Å; L104-V106 HydrophobicContact CG-CG2 3.74Å; V106-L127 HydrophobicContact CG1-CD1 3.86Å; V106-L129 HydrophobicContact CB-CD2 4.16Å; V106-L129 HydrophobicContact CG1-CD2 3.9Å; V106-L129 HydrophobicContact CG2-CD2 3.8Å
107G97Very high94.6Very high10 Ų1046 Ų4610%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-102.3142.6168.200000109.9S94 L127 S128S94-G107 CarbonylContact O-C 3.45Å; S94-G107 WeakPolarHBondContact O-CA 3.26Å; G107-L127 CarbonylContact O-C 3.6Å; G107-S128 PolarHBondContact N-O 2.81Å; G107-S128 PolarHBondContact O-N 3.18Å
108E97.5Very high94.6Very high40 Ų4050.1 Ų50.119%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-133.1135.5167.6177.7174.8-140.300108.7V93 S94 R125 I126 Y149V93-E108 CarbonylContact C-O 3.51Å; V93-E108 WeakPolarHBondContact CA-O 3.13Å; S94-E108 PolarHBondContact N-O 3.38Å; S94-E108 PolarHBondContact O-N 2.7Å; E108-R125 WeakPolarHBondContact OE1-CD 3.35Å; E108-I126 CarbonylContact C-O 3.53Å; E108-I126 WeakPolarHBondContact CA-O 3.28Å; E108-Y149 HydrophobicContact CG-CE2 4.45Å; E108-Y149 WeakPolarHBondContact OE1-CE2 3.38Å; E108-Y149 PolarHBondContact OE1-OH 3.33Å
109Y98.2Very high94.9Very high37 Ų3751 Ų5115%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-109.9136.6163.1168.1-104.5000108.8R89 D91 V92 V93 S111 R125 I126R89-Y109 PolarHBondContact NH2-OH 2.92Å; D91-Y109 HydrophobicContact CB-CE2 4.26Å; D91-Y109 WeakPolarHBondContact OD1-CE2 3.33Å; D91-Y109 PolarHBondContact OD1-OH 3.25Å; V92-Y109 CarbonylContact O-C 3.51Å; V92-Y109 WeakPolarHBondContact O-CA 3.37Å; V93-Y109 HydrophobicContact CG2-CD2 3.98Å; Y109-S111 WeakPolarHBondContact OH-CB 3.18Å; Y109-R125 CarbonylContact O-C 3.48Å; Y109-R125 VanDerWaalsContact O-CA 3.26Å; Y109-R125 WeakPolarHBondContact O-CA 3.39Å; Y109-I126 HydrophobicContact CD1-CB 4.45Å; Y109-I126 HydrophobicContact CD1-CD1 4Å; Y109-I126 HydrophobicContact CD1-CG1 4.17Å; Y109-I126 PolarHBondContact N-O 2.97Å; Y109-I126 PolarHBondContact O-N 3.5Å
110C98Very high95.5Very high14 Ų1449.4 Ų49.410%0.09526%0.255CS..EExtended strand (participates in β ladder)trans-136.1135.1177.1-178.50000109.5V92 I123 S124 R125V92-C110 HydrophobicContact CB-CB 4.22Å; V92-C110 PolarHBondContact N-O 3.12Å; V92-C110 PolarHBondContact O-N 3.49Å; C110-I123 VanDerWaalsContact SG-CG2 3.53Å; C110-S124 CarbonylContact C-O 3.58Å; C110-S124 VanDerWaalsContact CA-O 3.25Å; C110-S124 WeakPolarHBondContact CA-O 3.48Å; C110-R125 HydrophobicContact CB-CG 4.09Å
111S98.3Very high96Very high10 Ų1048.5 Ų48.57%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-120.1140.8171.450.80000110.9V90 Y109 I123 S124V90-S111 CarbonylContact O-C 3.54Å; V90-S111 VanDerWaalsContact O-CA 3.22Å; V90-S111 WeakPolarHBondContact O-CA 3.26Å; Y109-S111 WeakPolarHBondContact OH-CB 3.18Å; S111-I123 CarbonylContact O-C 3.6Å; S111-I123 VanDerWaalsContact O-CA 3.3Å; S111-I123 WeakPolarHBondContact O-CA 3.4Å; S111-S124 PolarHBondContact N-O 2.87Å; S111-S124 PolarHBondContact O-N 3.4Å
112L98.4Very high96.4Very high3 Ų348.2 Ų48.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-119.2121.4169.2-64.672.6000107.7W13 V16 F20 R89 V90 T121 K122 I123W13-L112 PolarHBondContact NE1-O 2.86Å; V16-L112 HydrophobicContact CG1-CD2 3.93Å; F20-L112 HydrophobicContact CD2-CD2 4.35Å; F20-L112 HydrophobicContact CE2-CD1 4.32Å; R89-L112 WeakPolarHBondContact CA-O 3.22Å; V90-L112 HydrophobicContact CB-CB 4.13Å; V90-L112 HydrophobicContact CB-CD1 4.34Å; V90-L112 HydrophobicContact CG2-CB 4.46Å; V90-L112 PolarHBondContact N-O 2.9Å; V90-L112 PolarHBondContact O-N 2.63Å; L112-T121 HydrophobicContact CB-CG2 4.29Å; L112-K122 WeakPolarHBondContact CA-O 3.48Å; L112-I123 HydrophobicContact CD1-CG2 4.29Å; L112-I123 HydrophobicContact CD2-CD1 4.15Å; L112-I123 HydrophobicContact CD2-CG1 4.46Å; L112-I123 HydrophobicContact CG-CD1 4.15Å; L112-I123 HydrophobicContact CG-CG1 4.01Å; L112-I123 HydrophobicContact CG-CG2 4.2Å
113V98.6Very high96.8Very high30 Ų3041.1 Ų41.118%0.18222%0.219CC..EExtended strand (participates in β ladder)trans-139.9156178.8-66.60000109.5R89 K122R89-V113 HydrophobicContact CB-CG1 4.18Å; R89-V113 HydrophobicContact CG-CG1 3.85Å; V113-K122 HydrophobicContact CG2-CB 4.14Å; V113-K122 HydrophobicContact CG2-CD 4.49Å; V113-K122 PolarHBondContact N-O 2.96Å; V113-K122 PolarHBondContact O-N 2.86Å
114P98.5Very high97.2Very high27 Ų2740 Ų4018%0.17522%0.219CC..EExtended strand (participates in β ladder)trans-51.9143.5163.1-20.428.6000110.5W13 Q88W13-P114 HydrophobicContact CB-CB 4.5Å; W13-P114 HydrophobicContact CB-CG 3.84Å; W13-P114 HydrophobicContact CG-CG 4.13Å; Q88-P114 HydrophobicContact CB-CG 3.78Å; Q88-P114 WeakPolarHBondContact O-CD 3.18Å; Q88-P114 VanDerWaalsContact OE1-CG 3.26Å
115S97.5Very high97.4Very high21 Ų2140.4 Ų40.415%0.14722%0.22CC..  trans-82.5-177.3166.187.20000110.4D117 V120S115-D117 CarbonylContact O-C 3.53Å; S115-D117 PolarHBondContact O-N 3.21Å; S115-D117 PolarHBondContact OG-N 2.85Å; S115-D117 VanDerWaalsContact OG-N 3.07Å; S115-D117 PolarHBondContact OG-O 2.87Å; S115-V120 WeakPolarHBondContact CB-O 3.48Å; S115-V120 PolarHBondContact N-O 2.84Å; S115-V120 WeakPolarHBondContact OG-CB 3.46Å; S115-V120 PolarHBondContact OG-O 3.12Å
116D96.9Very high97.6Very high172 Ų17241 Ų4192%0.9222%0.223SC*.SBendtrans-59.2-28.6171.8-54.6-32.9000111.6
117D96.7Very high97.7Very high84 Ų8439.1 Ų39.145%0.44921%0.212SC..SBendtrans-90.2114.2163.1179.8-5.3000109.7S115 S119 V120S115-D117 CarbonylContact O-C 3.53Å; S115-D117 PolarHBondContact O-N 3.21Å; S115-D117 PolarHBondContact OG-N 2.85Å; S115-D117 VanDerWaalsContact OG-N 3.07Å; S115-D117 PolarHBondContact OG-O 2.87Å; D117-S119 PolarHBondContact O-N 2.96Å; D117-S119 VanDerWaalsContact OD1-CB 3.31Å; D117-S119 WeakPolarHBondContact OD1-CB 3.33Å; D117-S119 PolarHBondContact OD1-N 3.18Å; D117-S119 PolarHBondContact OD1-OG 2.69Å; D117-S119 PolarHBondContact OD2-OG 3.5Å; D117-V120 HydrophobicContact CB-CB 4.33Å; D117-V120 HydrophobicContact CB-CG2 4.16Å; D117-V120 PolarHBondContact O-N 2.86Å; D117-V120 VanDerWaalsContact O-O 3.06Å
118H94.9Very high97.7Very high134 Ų13440.5 Ų40.562%0.6222%0.22SC*.THydrogen-bonded Turntrans-64.7-15.8179.7-73.6-79.9000114V120H118-V120 PolarHBondContact O-N 3.4Å
119S96.2Very high97.6Very high61 Ų6138.7 Ų38.743%0.42721%0.211SC..THydrogen-bonded Turntrans-78.2-4.4171.977.40000113S10 F11 D117S10-S119 CarbonylContact C-O 3.49Å; F11-S119 CarbonylContact C-O 3.59Å; F11-S119 VanDerWaalsContact CA-O 3.24Å; F11-S119 WeakPolarHBondContact CA-O 3.34Å; F11-S119 PolarHBondContact N-O 3Å; D117-S119 PolarHBondContact O-N 2.96Å; D117-S119 VanDerWaalsContact OD1-CB 3.31Å; D117-S119 WeakPolarHBondContact OD1-CB 3.33Å; D117-S119 PolarHBondContact OD1-N 3.18Å; D117-S119 PolarHBondContact OD1-OG 2.69Å; D117-S119 PolarHBondContact OD2-OG 3.5Å
120V97.9Very high97.5Very high19 Ų1942.1 Ų42.112%0.11523%0.229CC..SBendtrans-125.1133.2-174.1176.50000110.4Y8 L9 F11 S115 D117 H118Y8-V120 HydrophobicContact CD1-CG1 4.03Å; Y8-V120 HydrophobicContact CG-CG1 4.41Å; L9-V120 CarbonylContact O-C 3.5Å; L9-V120 WeakPolarHBondContact O-CA 3.49Å; L9-V120 WeakPolarHBondContact O-CG1 3.19Å; F11-V120 CarbonylContact O-C 3.59Å; S115-V120 WeakPolarHBondContact CB-O 3.48Å; S115-V120 PolarHBondContact N-O 2.84Å; S115-V120 WeakPolarHBondContact OG-CB 3.46Å; S115-V120 PolarHBondContact OG-O 3.12Å; D117-V120 HydrophobicContact CB-CB 4.33Å; D117-V120 HydrophobicContact CB-CG2 4.16Å; D117-V120 PolarHBondContact O-N 2.86Å; D117-V120 VanDerWaalsContact O-O 3.06Å; H118-V120 PolarHBondContact O-N 3.4Å
121T98.3Very high97.3Very high0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans-96.9124.3172.8-57.20000110.3Y8 L9 F11 W13 V16 L112 I123Y8-T121 WeakPolarHBondContact CA-O 3.3Å; L9-T121 PolarHBondContact N-O 3.42Å; L9-T121 PolarHBondContact O-N 3.47Å; F11-T121 PolarHBondContact O-N 2.89Å; F11-T121 PolarHBondContact O-OG1 3.11Å; W13-T121 WeakPolarHBondContact CA-OG1 3.49Å; W13-T121 PolarHBondContact N-OG1 2.93Å; V16-T121 HydrophobicContact CB-CG2 4.33Å; V16-T121 HydrophobicContact CG1-CG2 4.2Å; V16-T121 HydrophobicContact CG2-CG2 4.48Å; V16-T121 WeakPolarHBondContact CG2-OG1 3.48Å; L112-T121 HydrophobicContact CB-CG2 4.29Å; T121-I123 HydrophobicContact CG2-CG1 4.29Å
122K98.5Very high97Very high71 Ų7145.7 Ų45.731%0.30925%0.254SS..EExtended strand (participates in β ladder)trans-86.1126.3170-178.4-179.9-177178.10109.8T6 Y8 L112 V113T6-K122 HydrophobicContact CG2-CD 4.41Å; T6-K122 HydrophobicContact CG2-CG 3.91Å; Y8-K122 HydrophobicContact CD1-CB 4Å; Y8-K122 HydrophobicContact CD1-CG 4.2Å; Y8-K122 HydrophobicContact CE1-CB 3.81Å; Y8-K122 HydrophobicContact CE1-CD 3.97Å; Y8-K122 HydrophobicContact CE1-CG 3.64Å; L112-K122 WeakPolarHBondContact CA-O 3.48Å; V113-K122 HydrophobicContact CG2-CB 4.14Å; V113-K122 HydrophobicContact CG2-CD 4.49Å; V113-K122 PolarHBondContact N-O 2.96Å; V113-K122 PolarHBondContact O-N 2.86Å
123I97.9Very high96.7Very high0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-114.3114.2173.4-48.6-170.2000109.4T6 H7 L9 C110 S111 L112 T121 R125T6-I123 CarbonylContact C-O 3.42Å; T6-I123 WeakPolarHBondContact CA-O 3.3Å; H7-I123 PolarHBondContact N-O 3.34Å; H7-I123 PolarHBondContact O-N 3.2Å; L9-I123 HydrophobicContact CD1-CD1 3.52Å; L9-I123 HydrophobicContact CD1-CG1 4.43Å; L9-I123 HydrophobicContact CG-CD1 4.09Å; C110-I123 VanDerWaalsContact SG-CG2 3.53Å; S111-I123 CarbonylContact O-C 3.6Å; S111-I123 VanDerWaalsContact O-CA 3.3Å; S111-I123 WeakPolarHBondContact O-CA 3.4Å; L112-I123 HydrophobicContact CD1-CG2 4.29Å; L112-I123 HydrophobicContact CD2-CD1 4.15Å; L112-I123 HydrophobicContact CD2-CG1 4.46Å; L112-I123 HydrophobicContact CG-CD1 4.15Å; L112-I123 HydrophobicContact CG-CG1 4.01Å; L112-I123 HydrophobicContact CG-CG2 4.2Å; T121-I123 HydrophobicContact CG2-CG1 4.29Å; I123-R125 HydrophobicContact CG2-CG 4.49Å
124S98.2Very high96.4Very high25 Ų2554 Ų5418%0.17529%0.288CS..EExtended strand (participates in β ladder)trans-111.4133.6178.2-55.10000110.5V5 T6 C110 S111V5-S124 CarbonylContact O-C 2.95Å; T6-S124 PolarHBondContact OG1-OG 3.46Å; C110-S124 CarbonylContact C-O 3.58Å; C110-S124 VanDerWaalsContact CA-O 3.25Å; C110-S124 WeakPolarHBondContact CA-O 3.48Å; S111-S124 PolarHBondContact N-O 2.87Å; S111-S124 PolarHBondContact O-N 3.4Å
125R98Very high96.2Very high10 Ų1055.2 Ų55.24%0.03831%0.307CS..EExtended strand (participates in β ladder)trans-127.5142-177.2-60.9176.9175.881.62.1111.1H4 V5 E108 Y109 C110 I123 Y149H4-R125 WeakPolarHBondContact CA-O 3.42Å; V5-R125 HydrophobicContact CB-CB 4.42Å; V5-R125 PolarHBondContact N-O 2.7Å; V5-R125 PolarHBondContact O-N 3.29Å; E108-R125 WeakPolarHBondContact OE1-CD 3.35Å; Y109-R125 CarbonylContact O-C 3.48Å; Y109-R125 VanDerWaalsContact O-CA 3.26Å; Y109-R125 WeakPolarHBondContact O-CA 3.39Å; C110-R125 HydrophobicContact CB-CG 4.09Å; I123-R125 HydrophobicContact CG2-CG 4.49Å; R125-Y149 WeakPolarHBondContact CB-OH 3.45Å
126I98Very high95.9Very high53 Ų5361.4 Ų61.427%0.27234%0.336SS..EExtended strand (participates in β ladder)trans-130.4108.3175.5-52-179.1000107.6T2 V3 E108 Y109T2-I126 HydrophobicContact CG2-CG2 3.46Å; T2-I126 VanDerWaalsContact CG2-CG2 3.46Å; V3-I126 WeakPolarHBondContact O-CA 3.42Å; E108-I126 CarbonylContact C-O 3.53Å; E108-I126 WeakPolarHBondContact CA-O 3.28Å; Y109-I126 HydrophobicContact CD1-CB 4.45Å; Y109-I126 HydrophobicContact CD1-CD1 4Å; Y109-I126 HydrophobicContact CD1-CG1 4.17Å; Y109-I126 PolarHBondContact N-O 2.97Å; Y109-I126 PolarHBondContact O-N 3.5Å
127L97.8Very high95.6Very high1 Ų157.1 Ų57.11%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-83.2132.2170176.873.5000109.2T2 V3 V106 G107 L129 Y149T2-L127 CarbonylContact C-O 3.51Å; T2-L127 WeakPolarHBondContact CA-O 3.38Å; T2-L127 WeakPolarHBondContact CG2-O 3.44Å; V3-L127 HydrophobicContact CB-CB 4.12Å; V3-L127 HydrophobicContact CB-CD2 4.29Å; V3-L127 HydrophobicContact CG2-CD2 4.13Å; V3-L127 PolarHBondContact N-O 3.31Å; V3-L127 PolarHBondContact O-N 3.44Å; V106-L127 HydrophobicContact CG1-CD1 3.86Å; G107-L127 CarbonylContact O-C 3.6Å; L127-L129 HydrophobicContact CD1-CD2 3.91Å; L127-L129 HydrophobicContact CD1-CG 4.26Å; L127-L129 HydrophobicContact CD2-CD1 3.83Å; L127-L129 HydrophobicContact CD2-CD2 4.11Å; L127-L129 HydrophobicContact CD2-CG 3.7Å; L127-L129 HydrophobicContact CG-CD2 4.13Å; L127-L129 HydrophobicContact CG-CG 3.91Å; L127-Y149 HydrophobicContact CB-CD1 4.1Å; L127-Y149 HydrophobicContact CB-CD2 4.42Å; L127-Y149 HydrophobicContact CB-CE1 3.75Å; L127-Y149 HydrophobicContact CB-CE2 4.11Å; L127-Y149 HydrophobicContact CB-CG 4.41Å; L127-Y149 HydrophobicContact CD1-CD2 3.67Å; L127-Y149 HydrophobicContact CD1-CE2 3.89Å; L127-Y149 HydrophobicContact CD1-CG 4.01Å; L127-Y149 HydrophobicContact CD2-CD1 3.62Å; L127-Y149 HydrophobicContact CD2-CD2 4.14Å; L127-Y149 HydrophobicContact CD2-CE1 4.16Å; L127-Y149 HydrophobicContact CD2-CG 3.59Å; L127-Y149 HydrophobicContact CG-CD1 4.29Å; L127-Y149 HydrophobicContact CG-CD2 4.28Å; L127-Y149 HydrophobicContact CG-CE1 4.41Å; L127-Y149 HydrophobicContact CG-CE2 4.42Å; L127-Y149 HydrophobicContact CG-CG 4.21Å
128S97.5Very high95.4Very high38 Ų3857.6 Ų57.627%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-113.4125.9162-175.60000110.1G107G107-S128 PolarHBondContact N-O 2.81Å; G107-S128 PolarHBondContact O-N 3.18Å
129L96.4Very high95.3Very high2 Ų255 Ų551%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-115.3127.9172.1-62.7179.3000110.2M1 L104 L105 V106 L127 M142 Q146M1-L129 HydrophobicContact CB-CB 4.37Å; M1-L129 PolarHBondContact N-O 3.47Å; M1-L129 PolarHBondContact O-N 2.77Å; M1-L129 HydrophobicContact SD-CD1 4.43Å; L104-L129 HydrophobicContact CD1-CD2 4.48Å; L105-L129 WeakPolarHBondContact O-CA 3.23Å; V106-L129 HydrophobicContact CB-CD2 4.16Å; V106-L129 HydrophobicContact CG1-CD2 3.9Å; V106-L129 HydrophobicContact CG2-CD2 3.8Å; L127-L129 HydrophobicContact CD1-CD2 3.91Å; L127-L129 HydrophobicContact CD1-CG 4.26Å; L127-L129 HydrophobicContact CD2-CD1 3.83Å; L127-L129 HydrophobicContact CD2-CD2 4.11Å; L127-L129 HydrophobicContact CD2-CG 3.7Å; L127-L129 HydrophobicContact CG-CD2 4.13Å; L127-L129 HydrophobicContact CG-CG 3.91Å; L129-M142 HydrophobicContact CB-CE 3.45Å; L129-M142 VanDerWaalsContact CB-CE 3.45Å; L129-M142 HydrophobicContact CB-SD 4.07Å; L129-M142 HydrophobicContact CD1-CE 4.34Å; L129-Q146 HydrophobicContact CD1-CB 4.37Å
130E95.6Very high95.1Very high109 Ų10953.9 Ų53.951%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-133.8131.8176.7-68171.4-146.600109.6L104 L105L104-E130 CarbonylContact C-O 3.6Å; L104-E130 WeakPolarHBondContact CA-O 3.5Å; L105-E130 HydrophobicContact CB-CB 4.21Å; L105-E130 PolarHBondContact N-O 3.1Å; L105-E130 PolarHBondContact O-N 2.99Å
131S93.6Very high94.8Very high17 Ų1753 Ų5312%0.11929%0.294CS..  trans-131.2144.4178.6179.10000109.5Y103 L133 R138Y103-S131 WeakPolarHBondContact O-CB 3.32Å; Y103-S131 PolarHBondContact O-OG 3.42Å; S131-L133 WeakPolarHBondContact OG-CB 3.3Å; S131-L133 WeakPolarHBondContact OG-CG 3.4Å; S131-L133 PolarHBondContact OG-N 2.63Å; S131-R138 PolarHBondContact O-NH1 2.95Å
132S91.9Very high94.6Very high83 Ų8353.8 Ų53.858%0.5830%0.298SS*.  trans-86.6-11.917260.60000112.4K102K102-S132 PolarHBondContact O-OG 2.69Å
133L91.7Very high94.3Very high26 Ų2657.4 Ų57.414%0.13631%0.314CS..  trans-66.5159-179.8-61.5169.4000111.1W65 Y103 S131 L137 R138 V141W65-L133 HydrophobicContact CH2-CD1 3.6Å; W65-L133 HydrophobicContact CH2-CD2 4.09Å; W65-L133 HydrophobicContact CZ2-CD1 3.94Å; Y103-L133 HydrophobicContact CD1-CD2 4.08Å; S131-L133 WeakPolarHBondContact OG-CB 3.3Å; S131-L133 WeakPolarHBondContact OG-CG 3.4Å; S131-L133 PolarHBondContact OG-N 2.63Å; L133-L137 HydrophobicContact CB-CB 4.41Å; L133-L137 HydrophobicContact CD1-CB 4.45Å; L133-R138 HydrophobicContact CB-CB 4.12Å; L133-R138 WeakPolarHBondContact O-CB 3.43Å; L133-R138 WeakPolarHBondContact O-CD 3.38Å; L133-V141 HydrophobicContact CD1-CB 4.22Å; L133-V141 HydrophobicContact CD1-CG2 3.71Å
134K92.7Very high94.1Very high180 Ų18058.7 Ų58.778%0.78332%0.322SS*.  trans-119.8159-179.7-61.1-177.7-179-1800111.7L137 R138K134-L137 PolarHBondContact O-N 2.92Å; K134-R138 PolarHBondContact O-N 3.36Å
135G93.3Very high93.8Very high54 Ų5458.2 Ų58.256%0.55732%0.318SS*.Hα-helixtrans56.8-134.2171.700000114.9L137 R138 S139G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.85Å; G135-R138 WeakPolarHBondContact O-CB 3.48Å; G135-R138 PolarHBondContact O-N 2.95Å; G135-S139 PolarHBondContact O-N 2.77Å; G135-S139 VanDerWaalsContact O-N 3.14Å; G135-S139 PolarHBondContact O-OG 3.19Å; G135-S139 VanDerWaalsContact O-OG 3.11Å
136I91.6Very high93.6Very high150 Ų15060.5 Ų60.577%0.76933%0.33SS*.Hα-helixtrans-62.2-38.5-175.6-60.6171000111.3R138 S139 A140I136-R138 PolarHBondContact O-N 3.03Å; I136-S139 PolarHBondContact O-N 2.66Å; I136-A140 WeakPolarHBondContact O-CB 3.43Å; I136-A140 PolarHBondContact O-N 3.21Å
137L90.8Very high93.4Very high83 Ų8360.3 Ų60.344%0.43533%0.331SS..Hα-helixtrans-62.6-44.5-180-61.2-178.9000111.7W65 L133 K134 G135 A140 V141W65-L137 HydrophobicContact CZ2-CB 4.35Å; W65-L137 HydrophobicContact CZ2-CD2 4.23Å; L133-L137 HydrophobicContact CB-CB 4.41Å; L133-L137 HydrophobicContact CD1-CB 4.45Å; K134-L137 PolarHBondContact O-N 2.92Å; G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.85Å; L137-A140 PolarHBondContact O-N 3.11Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.46Å
138R93Very high93.2Very high94 Ų9463.1 Ų63.136%0.35534%0.342SS..Hα-helixtrans-56.7-53.6172.7-175.2-173.9175.875.6-2110.4S131 L133 K134 G135 I136 A140 V141 M142S131-R138 PolarHBondContact O-NH1 2.95Å; L133-R138 HydrophobicContact CB-CB 4.12Å; L133-R138 WeakPolarHBondContact O-CB 3.43Å; L133-R138 WeakPolarHBondContact O-CD 3.38Å; K134-R138 PolarHBondContact O-N 3.36Å; G135-R138 WeakPolarHBondContact O-CB 3.48Å; G135-R138 PolarHBondContact O-N 2.95Å; I136-R138 PolarHBondContact O-N 3.03Å; R138-A140 VanDerWaalsContact C-N 3.29Å; R138-A140 PolarHBondContact O-N 3.2Å; R138-V141 PolarHBondContact O-N 3.04Å; R138-M142 HydrophobicContact CG-CG 4.03Å; R138-M142 WeakPolarHBondContact O-CB 3.47Å; R138-M142 WeakPolarHBondContact O-CG 3.38Å; R138-M142 PolarHBondContact O-N 2.81Å
139S92.7Very high93.1Very high79 Ų7962 Ų6255%0.55233%0.332SS*.Hα-helixtrans-57.9-42.8-176.4-56.30000112G135 I136 K143G135-S139 PolarHBondContact O-N 2.77Å; G135-S139 VanDerWaalsContact O-N 3.14Å; G135-S139 PolarHBondContact O-OG 3.19Å; G135-S139 VanDerWaalsContact O-OG 3.11Å; I136-S139 PolarHBondContact O-N 2.66Å; S139-K143 VanDerWaalsContact O-CB 3.28Å; S139-K143 WeakPolarHBondContact O-CB 3.38Å; S139-K143 PolarHBondContact O-N 3.02Å
140A91.8Very high93Very high37 Ų3764.4 Ų64.431%0.30635%0.345SS..Hα-helixtrans-64.9-48.5177.600000112.6P63 I136 L137 R138 T144P63-A140 HydrophobicContact CG-CB 4.04Å; I136-A140 WeakPolarHBondContact O-CB 3.43Å; I136-A140 PolarHBondContact O-N 3.21Å; L137-A140 PolarHBondContact O-N 3.11Å; R138-A140 VanDerWaalsContact C-N 3.29Å; R138-A140 PolarHBondContact O-N 3.2Å; A140-T144 WeakPolarHBondContact O-CB 3.12Å; A140-T144 WeakPolarHBondContact O-CG2 2.93Å; A140-T144 PolarHBondContact O-N 2.94Å; A140-T144 PolarHBondContact O-OG1 3.27Å
141V91.8Very high92.8Very high0 Ų061.8 Ų61.80%034%0.338CS..Hα-helixtrans-63.5-47.2178.8172.50000110.6P63 W65 L66 L104 L133 L137 R138 K143 T144 S145P63-V141 HydrophobicContact CG-CG2 3.98Å; W65-V141 HydrophobicContact CH2-CG2 4.32Å; W65-V141 HydrophobicContact CZ2-CG2 3.86Å; L66-V141 HydrophobicContact CD2-CG2 4.36Å; L104-V141 HydrophobicContact CB-CG1 3.98Å; L104-V141 HydrophobicContact CD1-CG1 3.97Å; L104-V141 HydrophobicContact CD2-CG1 3.84Å; L104-V141 HydrophobicContact CG-CG1 4.16Å; L133-V141 HydrophobicContact CD1-CB 4.22Å; L133-V141 HydrophobicContact CD1-CG2 3.71Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.46Å; R138-V141 PolarHBondContact O-N 3.04Å; V141-K143 PolarHBondContact O-N 2.94Å; V141-T144 WeakPolarHBondContact CA-OG1 3.38Å; V141-T144 PolarHBondContact O-N 3.48Å; V141-T144 PolarHBondContact O-OG1 2.87Å; V141-S145 VanDerWaalsContact O-CB 3.27Å; V141-S145 WeakPolarHBondContact O-CB 3.27Å; V141-S145 PolarHBondContact O-N 3.42Å; V141-S145 PolarHBondContact O-OG 3.48Å
142M93.7Very high92.8Very high18 Ų1861.5 Ų61.59%0.08934%0.337CS..Hα-helixtrans-59.3-47179.5-63.8-63.1-67.300112M1 L104 L129 R138 S145 Q146M1-M142 HydrophobicContact CB-CE 3.44Å; M1-M142 VanDerWaalsContact CB-CE 3.44Å; M1-M142 HydrophobicContact CG-CE 4.35Å; M1-M142 HydrophobicContact SD-CE 4.11Å; L104-M142 HydrophobicContact CD1-SD 3.93Å; L129-M142 HydrophobicContact CB-CE 3.45Å; L129-M142 VanDerWaalsContact CB-CE 3.45Å; L129-M142 HydrophobicContact CB-SD 4.07Å; L129-M142 HydrophobicContact CD1-CE 4.34Å; R138-M142 HydrophobicContact CG-CG 4.03Å; R138-M142 WeakPolarHBondContact O-CB 3.47Å; R138-M142 WeakPolarHBondContact O-CG 3.38Å; R138-M142 PolarHBondContact O-N 2.81Å; M142-S145 PolarHBondContact O-N 2.82Å; M142-Q146 WeakPolarHBondContact O-CB 3.34Å; M142-Q146 PolarHBondContact O-N 2.97Å
143K93Very high92.9Very high147 Ų14759 Ų5964%0.63932%0.315SS*.Hα-helixtrans-64.3-44.9179.2-176.4175.3-178.1176.40112.5S139 V141 T147S139-K143 VanDerWaalsContact O-CB 3.28Å; S139-K143 WeakPolarHBondContact O-CB 3.38Å; S139-K143 PolarHBondContact O-N 3.02Å; V141-K143 PolarHBondContact O-N 2.94Å; K143-T147 WeakPolarHBondContact O-CB 3.47Å; K143-T147 PolarHBondContact O-N 3.02Å; K143-T147 PolarHBondContact O-OG1 2.86Å
144T92.4Very high93Very high27 Ų2763 Ų6317%0.16633%0.331CS..Hα-helixtrans-68.3-37.7-179.254.80000111.4R61 A140 V141 T147 Y148R61-T144 WeakPolarHBondContact O-CG2 3.35Å; A140-T144 WeakPolarHBondContact O-CB 3.12Å; A140-T144 WeakPolarHBondContact O-CG2 2.93Å; A140-T144 PolarHBondContact O-N 2.94Å; A140-T144 PolarHBondContact O-OG1 3.27Å; V141-T144 WeakPolarHBondContact CA-OG1 3.38Å; V141-T144 PolarHBondContact O-N 3.48Å; V141-T144 PolarHBondContact O-OG1 2.87Å; T144-T147 PolarHBondContact O-N 3.38Å; T144-Y148 WeakPolarHBondContact O-CB 3.37Å; T144-Y148 PolarHBondContact O-N 2.92Å
145S93Very high93.1Very high14 Ų1456.6 Ų56.610%0.09831%0.305CS..Hα-helixtrans-68.4-42.3175.1-63.10000113.1L104 V141 M142 T147 Y148 Y149L104-S145 WeakPolarHBondContact CD2-OG 3.47Å; V141-S145 VanDerWaalsContact O-CB 3.27Å; V141-S145 WeakPolarHBondContact O-CB 3.27Å; V141-S145 PolarHBondContact O-N 3.42Å; V141-S145 PolarHBondContact O-OG 3.48Å; M142-S145 PolarHBondContact O-N 2.82Å; S145-T147 VanDerWaalsContact C-N 3.33Å; S145-T147 PolarHBondContact O-N 3.07Å; S145-Y148 PolarHBondContact O-N 3.2Å; S145-Y149 WeakPolarHBondContact O-CB 3.39Å; S145-Y149 PolarHBondContact O-N 3.34Å
146Q94.3Very high93Very high59 Ų5954.7 Ų54.728%0.27628%0.283SS..Hα-helixtrans-61.3-43.3172.3-174.5-172.415.200111.5M1 V3 L129 M142 Y148 Y149 N150M1-Q146 HydrophobicContact CE-CB 4.39Å; M1-Q146 HydrophobicContact CE-CG 3.98Å; V3-Q146 HydrophobicContact CG2-CG 4.25Å; L129-Q146 HydrophobicContact CD1-CB 4.37Å; M142-Q146 WeakPolarHBondContact O-CB 3.34Å; M142-Q146 PolarHBondContact O-N 2.97Å; Q146-Y148 VanDerWaalsContact C-N 3.33Å; Q146-Y148 PolarHBondContact O-N 3.44Å; Q146-Y149 WeakPolarHBondContact O-CB 3.19Å; Q146-Y149 PolarHBondContact O-N 3.4Å; Q146-N150 PolarHBondContact O-N 2.92Å
147T94Very high93.1Very high49 Ų4950.7 Ų50.730%0.30126%0.259SS..Hα-helixtrans-61.4-43.6177.6-58.10000111.3R61 K143 T144 S145 N150 S151R61-T147 VanDerWaalsContact NH1-CG2 3.26Å; K143-T147 WeakPolarHBondContact O-CB 3.47Å; K143-T147 PolarHBondContact O-N 3.02Å; K143-T147 PolarHBondContact O-OG1 2.86Å; T144-T147 PolarHBondContact O-N 3.38Å; S145-T147 VanDerWaalsContact C-N 3.33Å; S145-T147 PolarHBondContact O-N 3.07Å; T147-N150 PolarHBondContact O-N 3Å; T147-S151 PolarHBondContact O-N 2.93Å
148Y92.9Very high93.4Very high60 Ų6050.2 Ų50.224%0.23526%0.256CS..Hα-helixtrans-64.2-42.6176.5176.1-98.8000111.8H31 K57 S59 T144 S145 Q146 N150 S151 S152H31-Y148 WeakPolarHBondContact CB-OH 3.5Å; K57-Y148 PolarHBondContact O-OH 3.15Å; S59-Y148 VanDerWaalsContact CB-CD2 3.47Å; T144-Y148 WeakPolarHBondContact O-CB 3.37Å; T144-Y148 PolarHBondContact O-N 2.92Å; S145-Y148 PolarHBondContact O-N 3.2Å; Q146-Y148 VanDerWaalsContact C-N 3.33Å; Q146-Y148 PolarHBondContact O-N 3.44Å; Y148-N150 VanDerWaalsContact C-N 3.29Å; Y148-N150 PolarHBondContact O-N 3.37Å; Y148-S151 PolarHBondContact O-N 3.44Å; Y148-S151 VanDerWaalsContact O-N 3.15Å; Y148-S152 WeakPolarHBondContact O-CB 3.2Å; Y148-S152 PolarHBondContact O-N 3.49Å
149Y94.4Very high93.4Very high13 Ų1345.7 Ų45.75%0.05124%0.239CC..Hα-helixtrans-57.6-43.8174.4-178.5-105000112V5 E108 R125 L127 S145 Q146 S151 S152 Y153V5-Y149 HydrophobicContact CG2-CE1 4.19Å; E108-Y149 HydrophobicContact CG-CE2 4.45Å; E108-Y149 WeakPolarHBondContact OE1-CE2 3.38Å; E108-Y149 PolarHBondContact OE1-OH 3.33Å; R125-Y149 WeakPolarHBondContact CB-OH 3.45Å; L127-Y149 HydrophobicContact CB-CD1 4.1Å; L127-Y149 HydrophobicContact CB-CD2 4.42Å; L127-Y149 HydrophobicContact CB-CE1 3.75Å; L127-Y149 HydrophobicContact CB-CE2 4.11Å; L127-Y149 HydrophobicContact CB-CG 4.41Å; L127-Y149 HydrophobicContact CD1-CD2 3.67Å; L127-Y149 HydrophobicContact CD1-CE2 3.89Å; L127-Y149 HydrophobicContact CD1-CG 4.01Å; L127-Y149 HydrophobicContact CD2-CD1 3.62Å; L127-Y149 HydrophobicContact CD2-CD2 4.14Å; L127-Y149 HydrophobicContact CD2-CE1 4.16Å; L127-Y149 HydrophobicContact CD2-CG 3.59Å; L127-Y149 HydrophobicContact CG-CD1 4.29Å; L127-Y149 HydrophobicContact CG-CD2 4.28Å; L127-Y149 HydrophobicContact CG-CE1 4.41Å; L127-Y149 HydrophobicContact CG-CE2 4.42Å; L127-Y149 HydrophobicContact CG-CG 4.21Å; S145-Y149 WeakPolarHBondContact O-CB 3.39Å; S145-Y149 PolarHBondContact O-N 3.34Å; Q146-Y149 WeakPolarHBondContact O-CB 3.19Å; Q146-Y149 PolarHBondContact O-N 3.4Å; Y149-S151 PolarHBondContact O-N 3.12Å; Y149-S152 PolarHBondContact O-N 2.85Å; Y149-S152 VanDerWaalsContact O-N 3.07Å; Y149-Y153 AromaticContact CD1-CD1 3.91Å; Y149-Y153 HydrophobicContact CD1-CD1 3.91Å; Y149-Y153 HydrophobicContact CD1-CE1 4.44Å; Y149-Y153 AromaticContact CE1-CD1 3.75Å; Y149-Y153 HydrophobicContact CE1-CD1 3.75Å; Y149-Y153 HydrophobicContact CE1-CE1 4.4Å; Y149-Y153 VanDerWaalsContact O-CD1 3.22Å; Y149-Y153 WeakPolarHBondContact O-CD1 3.35Å; Y149-Y153 PolarHBondContact O-N 2.91Å
150N94.2Very high93.5Very high53 Ų5342.1 Ų42.128%0.28321%0.214SC..Hα-helixtrans-59.6-29.1178.1-74.5-15.4000114Q146 T147 Y148 Y153 K154Q146-N150 PolarHBondContact O-N 2.92Å; T147-N150 PolarHBondContact O-N 3Å; Y148-N150 VanDerWaalsContact C-N 3.29Å; Y148-N150 PolarHBondContact O-N 3.37Å; N150-Y153 VanDerWaalsContact CA-CE1 3.45Å; N150-Y153 HydrophobicContact CB-CE1 4.22Å; N150-K154 VanDerWaalsContact O-CD 3.32Å; N150-K154 WeakPolarHBondContact O-CD 3.48Å; N150-K154 WeakPolarHBondContact O-CE 3.28Å; N150-K154 VanDerWaalsContact O-CG 3.3Å; N150-K154 WeakPolarHBondContact O-CG 3.39Å
151S93.1Very high93.6Very high54 Ų5442.5 Ų42.538%0.37821%0.21SC..Hα-helixtrans-80.7-46.6171.1-61.70000111.2T147 Y148 Y149 Y153 K154 D155T147-S151 PolarHBondContact O-N 2.93Å; Y148-S151 PolarHBondContact O-N 3.44Å; Y148-S151 VanDerWaalsContact O-N 3.15Å; Y149-S151 PolarHBondContact O-N 3.12Å; S151-Y153 PolarHBondContact O-N 3.31Å; S151-K154 WeakPolarHBondContact O-CB 3.47Å; S151-K154 PolarHBondContact O-N 3.13Å; S151-K154 VanDerWaalsContact O-N 3.12Å; S151-D155 VanDerWaalsContact O-CG 3.29Å; S151-D155 PolarHBondContact O-N 3.22Å
152S92.3Very high93.7Very high12 Ų1247.6 Ų47.68%0.08423%0.23CC..Hα-helixtrans-61-41.2-173.7177.60000113.9H31 Y148 Y149 K154 D155 T156H31-S152 PolarHBondContact CE1-OG 2.89Å; H31-S152 VanDerWaalsContact CE1-OG 3.31Å; H31-S152 PolarHBondContact NE2-OG 2.96Å; Y148-S152 WeakPolarHBondContact O-CB 3.2Å; Y148-S152 PolarHBondContact O-N 3.49Å; Y149-S152 PolarHBondContact O-N 2.85Å; Y149-S152 VanDerWaalsContact O-N 3.07Å; S152-K154 VanDerWaalsContact C-N 3.34Å; S152-K154 PolarHBondContact O-N 2.71Å; S152-D155 PolarHBondContact O-N 2.69Å; S152-T156 PolarHBondContact O-N 2.66Å; S152-T156 PolarHBondContact O-OG1 2.78Å
153Y93.6Very high93.8Very high29 Ų2947.2 Ų47.211%0.11423%0.228CC..Hα-helixtrans-69.8-32.6177.679-112.3000112V5 H7 Y149 N150 S151 T156 Y157V5-Y153 HydrophobicContact CG1-CD1 4.42Å; V5-Y153 HydrophobicContact CG1-CD2 3.85Å; V5-Y153 HydrophobicContact CG1-CE1 4.18Å; V5-Y153 HydrophobicContact CG1-CE2 3.68Å; V5-Y153 HydrophobicContact CG1-CG 4.29Å; V5-Y153 HydrophobicContact CG2-CD1 4.11Å; V5-Y153 HydrophobicContact CG2-CE1 3.76Å; H7-Y153 AromaticContact CE1-CD2 3.26Å; H7-Y153 WeakPolarHBondContact CE1-CD2 3.38Å; H7-Y153 AromaticContact CE1-CE2 3.18Å; H7-Y153 WeakPolarHBondContact CE1-CE2 3.25Å; H7-Y153 AromaticContact NE2-CD2 3.87Å; H7-Y153 AromaticContact NE2-CE2 3.37Å; H7-Y153 WeakPolarHBondContact NE2-CE2 3.5Å; Y149-Y153 AromaticContact CD1-CD1 3.91Å; Y149-Y153 HydrophobicContact CD1-CD1 3.91Å; Y149-Y153 HydrophobicContact CD1-CE1 4.44Å; Y149-Y153 AromaticContact CE1-CD1 3.75Å; Y149-Y153 HydrophobicContact CE1-CD1 3.75Å; Y149-Y153 HydrophobicContact CE1-CE1 4.4Å; Y149-Y153 VanDerWaalsContact O-CD1 3.22Å; Y149-Y153 WeakPolarHBondContact O-CD1 3.35Å; Y149-Y153 PolarHBondContact O-N 2.91Å; N150-Y153 VanDerWaalsContact CA-CE1 3.45Å; N150-Y153 HydrophobicContact CB-CE1 4.22Å; S151-Y153 PolarHBondContact O-N 3.31Å; Y153-T156 PolarHBondContact O-N 2.89Å; Y153-Y157 PolarHBondContact O-N 2.82Å
154K95Very high93.9Very high110 Ų11040.2 Ų40.248%0.47820%0.198SC..Hα-helixtrans-68.7-43.2175.9-67-179.5-175.8-175.40110.6N150 S151 S152 T156 Y157 L158N150-K154 VanDerWaalsContact O-CD 3.32Å; N150-K154 WeakPolarHBondContact O-CD 3.48Å; N150-K154 WeakPolarHBondContact O-CE 3.28Å; N150-K154 VanDerWaalsContact O-CG 3.3Å; N150-K154 WeakPolarHBondContact O-CG 3.39Å; S151-K154 WeakPolarHBondContact O-CB 3.47Å; S151-K154 PolarHBondContact O-N 3.13Å; S151-K154 VanDerWaalsContact O-N 3.12Å; S152-K154 VanDerWaalsContact C-N 3.34Å; S152-K154 PolarHBondContact O-N 2.71Å; K154-T156 VanDerWaalsContact C-N 3.26Å; K154-T156 PolarHBondContact O-N 3Å; K154-Y157 WeakPolarHBondContact O-CB 3.42Å; K154-Y157 PolarHBondContact O-N 2.97Å; K154-L158 WeakPolarHBondContact O-CG 3.5Å; K154-L158 PolarHBondContact O-N 3.23Å
155D93.8Very high93.9Very high46 Ų4643.4 Ų43.425%0.24621%0.213CC..Hα-helixtrans-59.6-40.1174.3-65-19.5000111.2H28 A29 H31 S151 S152 L158 G159H28-D155 HydrophobicContact CB-CB 4.25Å; H28-D155 WeakPolarHBondContact CB-O 3.41Å; A29-D155 HydrophobicContact CB-CB 4.29Å; H31-D155 IonicContact ND1-OD2 3.51Å; S151-D155 VanDerWaalsContact O-CG 3.29Å; S151-D155 PolarHBondContact O-N 3.22Å; S152-D155 PolarHBondContact O-N 2.69Å; D155-L158 PolarHBondContact O-N 3.4Å; D155-G159 PolarHBondContact O-N 3.1Å
156T91.9Very high93.9Very high15 Ų1546 Ų469%0.09223%0.229CC..Hα-helixtrans-66.8-41.6176.8-590000111.7Y24 S152 Y153 K154 G159 Y160Y24-T156 PolarHBondContact OH-OG1 3.12Å; S152-T156 PolarHBondContact O-N 2.66Å; S152-T156 PolarHBondContact O-OG1 2.78Å; Y153-T156 PolarHBondContact O-N 2.89Å; K154-T156 VanDerWaalsContact C-N 3.26Å; K154-T156 PolarHBondContact O-N 3Å; T156-G159 PolarHBondContact O-N 2.85Å; T156-Y160 HydrophobicContact CG2-CD2 4.24Å; T156-Y160 HydrophobicContact CG2-CE2 4.34Å; T156-Y160 PolarHBondContact O-N 3.06Å
157Y94.2Very high93.8Very high65 Ų6547 Ų4726%0.25523%0.231SC..Hα-helixtrans-60.3-48.1173.7170.8-95.7000111.9H7 Y8 L9 Y153 K154 G159 Y160 M161H7-Y157 HydrophobicContact CB-CD2 4.01Å; H7-Y157 HydrophobicContact CB-CE2 4.27Å; H7-Y157 AromaticContact ND1-CD2 3.78Å; H7-Y157 AromaticContact ND1-CG 3.87Å; Y8-Y157 WeakPolarHBondContact O-CE2 3.4Å; L9-Y157 HydrophobicContact CD2-CD2 3.75Å; L9-Y157 HydrophobicContact CD2-CE2 3.49Å; L9-Y157 VanDerWaalsContact CD2-CE2 3.49Å; L9-Y157 HydrophobicContact CG-CE2 4.32Å; Y153-Y157 PolarHBondContact O-N 2.82Å; K154-Y157 WeakPolarHBondContact O-CB 3.42Å; K154-Y157 PolarHBondContact O-N 2.97Å; Y157-G159 VanDerWaalsContact C-N 3.3Å; Y157-G159 PolarHBondContact O-N 3.06Å; Y157-Y160 WeakPolarHBondContact O-CB 3.41Å; Y157-Y160 PolarHBondContact O-N 2.81Å; Y157-M161 HydrophobicContact CD1-CG 4.4Å; Y157-M161 HydrophobicContact CE1-CG 3.91Å; Y157-M161 HydrophobicContact CE2-CG 4.3Å; Y157-M161 PolarHBondContact O-N 3.15Å
158L95.4Very high93.6Very high73 Ų7346.7 Ų46.738%0.38223%0.23SC..Hα-helixtrans-63.4-37.2176.7-68174.5000111.9H28 K154 D155 Y160 M161 Y162H28-L158 HydrophobicContact CB-CB 4.05Å; K154-L158 WeakPolarHBondContact O-CG 3.5Å; K154-L158 PolarHBondContact O-N 3.23Å; D155-L158 PolarHBondContact O-N 3.4Å; L158-Y160 PolarHBondContact O-N 2.87Å; L158-M161 PolarHBondContact O-N 3.46Å; L158-Y162 WeakPolarHBondContact O-CB 3.42Å; L158-Y162 PolarHBondContact O-N 2.99Å
159G94.1Very high93.1Very high0 Ų050.6 Ų50.60%026%0.255CS..Hα-helixtrans-59.3-43.8172.400000112.8D155 T156 Y157 Y162 L163D155-G159 PolarHBondContact O-N 3.1Å; T156-G159 PolarHBondContact O-N 2.85Å; Y157-G159 VanDerWaalsContact C-N 3.3Å; Y157-G159 PolarHBondContact O-N 3.06Å; G159-Y162 PolarHBondContact O-N 2.78Å; G159-L163 VanDerWaalsContact O-CG 3.3Å; G159-L163 WeakPolarHBondContact O-CG 3.34Å; G159-L163 PolarHBondContact O-N 3.32Å
160Y94Very high92.2Very high4 Ų453.7 Ų53.72%0.01628%0.284CS..Hα-helixtrans-64-45.9173.5-94.5-69.7000112.6L9 V16 F20 R23 T156 Y157 L158 Y162 L163 C164L9-Y160 HydrophobicContact CD1-CD1 4.23Å; L9-Y160 HydrophobicContact CD1-CG 3.99Å; V16-Y160 HydrophobicContact CG1-CD1 4.06Å; V16-Y160 HydrophobicContact CG1-CE1 3.82Å; F20-Y160 VanDerWaalsContact CD2-OH 3.32Å; F20-Y160 WeakPolarHBondContact CD2-OH 3.18Å; R23-Y160 VanDerWaalsContact CD-CZ 3.47Å; R23-Y160 VanDerWaalsContact CD-OH 3.32Å; R23-Y160 WeakPolarHBondContact CD-OH 3.12Å; R23-Y160 HydrophobicContact CG-CD2 4.31Å; R23-Y160 HydrophobicContact CG-CE1 4.04Å; R23-Y160 HydrophobicContact CG-CE2 3.6Å; R23-Y160 VanDerWaalsContact CG-CZ 3.44Å; R23-Y160 WeakPolarHBondContact CG-OH 3.19Å; R23-Y160 PolarHBondContact NH1-OH 3.31Å; T156-Y160 HydrophobicContact CG2-CD2 4.24Å; T156-Y160 HydrophobicContact CG2-CE2 4.34Å; T156-Y160 PolarHBondContact O-N 3.06Å; Y157-Y160 WeakPolarHBondContact O-CB 3.41Å; Y157-Y160 PolarHBondContact O-N 2.81Å; L158-Y160 PolarHBondContact O-N 2.87Å; Y160-Y162 VanDerWaalsContact C-N 3.29Å; Y160-Y162 PolarHBondContact O-N 3.41Å; Y160-L163 PolarHBondContact O-N 2.84Å; Y160-C164 WeakPolarHBondContact O-CB 3.41Å; Y160-C164 PolarHBondContact O-N 3.11Å; Y160-C164 PolarHBondContact O-SG 3.39Å
161M94.7Very high90.8Very high45 Ų4553.9 Ų53.922%0.22228%0.281CS..Hα-helixtrans-58.4-43.9177-72.9-61.9-64.300111.4L9 F11 Y157 L158 L163 C164 N165L9-M161 HydrophobicContact CD2-CG 3.84Å; L9-M161 HydrophobicContact CD2-SD 3.48Å; L9-M161 WeakPolarHBondContact CD2-SD 3.49Å; F11-M161 HydrophobicContact CE2-CE 4.28Å; F11-M161 HydrophobicContact CE2-SD 4.17Å; Y157-M161 HydrophobicContact CD1-CG 4.4Å; Y157-M161 HydrophobicContact CE1-CG 3.91Å; Y157-M161 HydrophobicContact CE2-CG 4.3Å; Y157-M161 PolarHBondContact O-N 3.15Å; L158-M161 PolarHBondContact O-N 3.46Å; M161-L163 PolarHBondContact O-N 2.9Å; M161-C164 PolarHBondContact O-N 3.04Å; M161-N165 WeakPolarHBondContact O-CB 3.38Å; M161-N165 VanDerWaalsContact O-CG 3.26Å; M161-N165 PolarHBondContact O-N 3.37Å; M161-N165 PolarHBondContact O-ND2 3.46Å
162Y94.5Very high89.3Confident107 Ų10756.9 Ų56.942%0.4229%0.293SS..Hα-helixtrans-57.1-49.3174.2170.6-100.8000111.8P27 L158 G159 Y160 T166P27-Y162 HydrophobicContact CG-CE1 4.24Å; P27-Y162 HydrophobicContact CG-CE2 4.37Å; L158-Y162 WeakPolarHBondContact O-CB 3.42Å; L158-Y162 PolarHBondContact O-N 2.99Å; G159-Y162 PolarHBondContact O-N 2.78Å; Y160-Y162 VanDerWaalsContact C-N 3.29Å; Y160-Y162 PolarHBondContact O-N 3.41Å; Y162-T166 WeakPolarHBondContact O-CB 3.07Å; Y162-T166 PolarHBondContact O-N 3.26Å; Y162-T166 PolarHBondContact O-OG1 2.93Å
163L94.6Very high87.4Confident10 Ų1060.6 Ų60.65%0.05232%0.316CS..Hα-helixtrans-63.9-47.7178.8-68.7166.8000111.8L19 R22 G159 Y160 M161 N165 T166 Y167L19-L163 HydrophobicContact CD1-CB 4.15Å; R22-L163 HydrophobicContact CB-CD1 4.49Å; R22-L163 HydrophobicContact CB-CD2 4.46Å; R22-L163 WeakPolarHBondContact O-CD1 3.34Å; G159-L163 VanDerWaalsContact O-CG 3.3Å; G159-L163 WeakPolarHBondContact O-CG 3.34Å; G159-L163 PolarHBondContact O-N 3.32Å; Y160-L163 PolarHBondContact O-N 2.84Å; M161-L163 PolarHBondContact O-N 2.9Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-N165 PolarHBondContact O-N 3.39Å; L163-T166 WeakPolarHBondContact O-CB 3.48Å; L163-T166 PolarHBondContact O-N 3.02Å; L163-T166 VanDerWaalsContact O-N 3.1Å; L163-Y167 HydrophobicContact CD2-CE2 4.06Å; L163-Y167 VanDerWaalsContact O-CD2 3.22Å; L163-Y167 WeakPolarHBondContact O-CD2 3.24Å; L163-Y167 PolarHBondContact O-N 3.22Å
164C94.6Very high85.3Confident0 Ų068.9 Ų68.90%035%0.353CS..Hα-helixtrans-61.7-44.5-177.9-63.40000111.1F11 F15 Y160 M161 T166 Y167 S168F11-C164 HydrophobicContact CD1-CB 3.96Å; F11-C164 HydrophobicContact CD2-CB 3.42Å; F11-C164 VanDerWaalsContact CD2-CB 3.42Å; F11-C164 HydrophobicContact CE1-CB 3.84Å; F11-C164 HydrophobicContact CE2-CB 3.3Å; F11-C164 HydrophobicContact CG-CB 3.76Å; F11-C164 HydrophobicContact CZ-CB 3.52Å; F15-C164 HydrophobicContact CE1-CB 3.88Å; Y160-C164 WeakPolarHBondContact O-CB 3.41Å; Y160-C164 PolarHBondContact O-N 3.11Å; Y160-C164 PolarHBondContact O-SG 3.39Å; M161-C164 PolarHBondContact O-N 3.04Å; C164-T166 VanDerWaalsContact C-N 3.3Å; C164-T166 PolarHBondContact O-N 3.14Å; C164-Y167 PolarHBondContact O-N 3.47Å; C164-S168 WeakPolarHBondContact O-CA 3.28Å; C164-S168 VanDerWaalsContact O-CB 3.24Å; C164-S168 WeakPolarHBondContact O-CB 3.46Å; C164-S168 PolarHBondContact O-N 3.33Å
165N93.5Very high82.8Confident93 Ų9372 Ų7250%0.49737%0.369SS..Hα-helixtrans-65.3-32.8175-71-26000112.9F11 M161 L163 S168F11-N165 WeakPolarHBondContact CZ-OD1 3.48Å; M161-N165 WeakPolarHBondContact O-CB 3.38Å; M161-N165 VanDerWaalsContact O-CG 3.26Å; M161-N165 PolarHBondContact O-N 3.37Å; M161-N165 PolarHBondContact O-ND2 3.46Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-N165 PolarHBondContact O-N 3.39Å; N165-S168 PolarHBondContact O-OG 2.91Å
166T92.5Very high80.4Confident70 Ų7079.4 Ų79.443%0.42939%0.394SS..Hα-helixtrans-70-38.3177.8-59.70000111.5Y162 L163 C164Y162-T166 WeakPolarHBondContact O-CB 3.07Å; Y162-T166 PolarHBondContact O-N 3.26Å; Y162-T166 PolarHBondContact O-OG1 2.93Å; L163-T166 WeakPolarHBondContact O-CB 3.48Å; L163-T166 PolarHBondContact O-N 3.02Å; L163-T166 VanDerWaalsContact O-N 3.1Å; C164-T166 VanDerWaalsContact C-N 3.3Å; C164-T166 PolarHBondContact O-N 3.14Å
167Y92.8Very high77.6Confident80 Ų8087.6 Ų87.631%0.31443%0.431SS..Hα-helixtrans-102.4-3.2-174.2-68.2-75.9000114.2L19 R22 L163 C164 N169 A170 Y171L19-Y167 HydrophobicContact CD2-CD2 3.72Å; L19-Y167 HydrophobicContact CD2-CE2 4.32Å; L19-Y167 HydrophobicContact CD2-CG 4.07Å; R22-Y167 VanDerWaalsContact NH1-CE1 3.32Å; R22-Y167 VanDerWaalsContact NH1-CZ 3.28Å; R22-Y167 PolarHBondContact NH1-OH 3.18Å; R22-Y167 VanDerWaalsContact NH1-OH 3.12Å; L163-Y167 HydrophobicContact CD2-CE2 4.06Å; L163-Y167 VanDerWaalsContact O-CD2 3.22Å; L163-Y167 WeakPolarHBondContact O-CD2 3.24Å; L163-Y167 PolarHBondContact O-N 3.22Å; C164-Y167 PolarHBondContact O-N 3.47Å; Y167-N169 VanDerWaalsContact C-N 3.29Å; Y167-N169 PolarHBondContact O-N 3.01Å; Y167-A170 CarbonylContact O-C 3.58Å; Y167-A170 PolarHBondContact O-N 2.8Å; Y167-A170 VanDerWaalsContact O-N 3.07Å; Y167-Y171 PolarHBondContact O-N 3.01Å
168S90.1Very high74.6Confident41 Ų4190 Ų9029%0.28746%0.457SS..G310 helixtrans-60.2-38.7-17756.50000112.3C164 N165 A170 Y171C164-S168 WeakPolarHBondContact O-CA 3.28Å; C164-S168 VanDerWaalsContact O-CB 3.24Å; C164-S168 WeakPolarHBondContact O-CB 3.46Å; C164-S168 PolarHBondContact O-N 3.33Å; N165-S168 PolarHBondContact O-OG 2.91Å; S168-A170 VanDerWaalsContact C-N 3.27Å; S168-A170 PolarHBondContact O-N 3.22Å; S168-Y171 WeakPolarHBondContact O-CB 3.45Å; S168-Y171 PolarHBondContact O-N 3.37Å; S168-Y171 VanDerWaalsContact O-N 3.11Å
169N81.2Confident71.6Confident142 Ų14292.3 Ų92.376%0.75948%0.477SS*.G310 helixtrans-63.7-34.1177.4-65.8-24.7000112.2Y167Y167-N169 VanDerWaalsContact C-N 3.29Å; Y167-N169 PolarHBondContact O-N 3.01Å
170A75.8Confident68.5Low79 Ų7998.2 Ų98.265%0.65351%0.513SS*.G310 helixtrans-84.5-10.2177.200000113.2Y167 S168 N172Y167-A170 CarbonylContact O-C 3.58Å; Y167-A170 PolarHBondContact O-N 2.8Å; Y167-A170 VanDerWaalsContact O-N 3.07Å; S168-A170 VanDerWaalsContact C-N 3.27Å; S168-A170 PolarHBondContact O-N 3.22Å; A170-N172 VanDerWaalsContact C-N 3.32Å
171Y64.6Low65.7Low56 Ų56105.3 Ų105.322%0.2255%0.551CS.*G310 helixtrans-79.2-14.1-176.5-179-113.8000113.4P12 F15 Y167 S168 P173P12-Y171 HydrophobicContact CG-CE1 3.83Å; F15-Y171 HydrophobicContact CB-CD1 4.24Å; F15-Y171 HydrophobicContact CB-CD2 3.94Å; F15-Y171 HydrophobicContact CB-CE1 3.88Å; F15-Y171 HydrophobicContact CB-CE2 3.53Å; F15-Y171 HydrophobicContact CB-CG 4.28Å; F15-Y171 VanDerWaalsContact CB-CZ 3.5Å; F15-Y171 HydrophobicContact CD1-CD1 4.29Å; F15-Y171 HydrophobicContact CD1-CG 4.25Å; F15-Y171 HydrophobicContact CD2-CD1 4.12Å; F15-Y171 AromaticContact CD2-CD2 3.05Å; F15-Y171 HydrophobicContact CD2-CD2 3.05Å; F15-Y171 AromaticContact CD2-CE2 3.55Å; F15-Y171 HydrophobicContact CD2-CE2 3.55Å; F15-Y171 AromaticContact CD2-CG 3.38Å; F15-Y171 HydrophobicContact CD2-CG 3.38Å; F15-Y171 HydrophobicContact CE1-CG 4.5Å; F15-Y171 AromaticContact CE2-CD2 3.65Å; F15-Y171 HydrophobicContact CE2-CD2 3.65Å; F15-Y171 AromaticContact CE2-CG 3.67Å; F15-Y171 HydrophobicContact CE2-CG 3.67Å; F15-Y171 AromaticContact CG-CD1 3.96Å; F15-Y171 HydrophobicContact CG-CD1 3.96Å; F15-Y171 AromaticContact CG-CD2 3.62Å; F15-Y171 HydrophobicContact CG-CD2 3.62Å; F15-Y171 HydrophobicContact CG-CE1 4.12Å; F15-Y171 AromaticContact CG-CE2 3.77Å; F15-Y171 HydrophobicContact CG-CE2 3.77Å; F15-Y171 AromaticContact CG-CG 3.71Å; F15-Y171 HydrophobicContact CG-CG 3.71Å; F15-Y171 HydrophobicContact CZ-CG 4.23Å; Y167-Y171 PolarHBondContact O-N 3.01Å; S168-Y171 WeakPolarHBondContact O-CB 3.45Å; S168-Y171 PolarHBondContact O-N 3.37Å; S168-Y171 VanDerWaalsContact O-N 3.11Å; Y171-P173 HydrophobicContact CE1-CG 4.18Å; Y171-P173 WeakPolarHBondContact O-CD 3.34Å
172N61.4Low62.7Low117 Ų117110.8 Ų110.863%0.62658%0.581SS**  trans-43.5107.1-172.7-120.3-19.9000111.8A170 K174A170-N172 VanDerWaalsContact C-N 3.32Å; N172-K174 PolarHBondContact O-N 3.33Å
173P54Low59.9Low90 Ų90112.1 Ų112.158%0.58460%0.601SS**G310 helixtrans-65.7-11.3-166.9-2533.6000114.8Y171 E175Y171-P173 HydrophobicContact CE1-CG 4.18Å; Y171-P173 WeakPolarHBondContact O-CD 3.34Å; P173-E175 VanDerWaalsContact C-N 3.28Å; P173-E175 PolarHBondContact O-N 2.81Å
174K49.2Very low56.8Low204 Ų204117.3 Ų117.389%0.88764%0.635SS**G310 helixtrans-75-6-172.4-66.7-170.9177.5-177.60115N172N172-K174 PolarHBondContact O-N 3.33Å
175E42.9Very low53.8Low175 Ų175127.5 Ų127.582%0.81868%0.679SS**G310 helixtrans-121.27.4-171.5-77.5-174.4172.200117.2P173 Q177P173-E175 VanDerWaalsContact C-N 3.28Å; P173-E175 PolarHBondContact O-N 2.81Å; E175-Q177 PolarHBondContact O-N 3.07Å
176R42.6Very low50.9Low202 Ų202128.6 Ų128.676%0.76269%0.694SS**  trans-81.689.3177-77.6-173.4-158.5-160.95.4113.1
177Q32.1Very low48.1Very low187 Ų187130.9 Ų130.987%0.87471%0.713SS**PPolyproline II helixtrans-88.7128.6145.7-69.7-178.28.300108.6E175E175-Q177 PolarHBondContact O-N 3.07Å
178S31.3Very low45.4Very low115 Ų115133.4 Ų133.480%0.80474%0.736SS**PPolyproline II helixtrans-71.5130.1-171.639.30000113.6
179P32.3Very low42.6Very low121 Ų121142.7 Ų142.779%0.78677%0.765SS**PPolyproline II helixtrans-96.4117.7161.38.111.6000110.5
180T29.3Very low40.1Very low124 Ų124142.6 Ų142.676%0.76177%0.77SS**PPolyproline II helixtrans-64.9133.5159.649.80000109.2
181N35.5Very low38.4Very low153 Ų153145.1 Ų145.182%0.81878%0.777SS**  trans-164.5138.9152.8-90.7-27.5000111.8
182D30.9Very low37.1Very low160 Ų160147.9 Ų147.986%0.85680%0.804SS**PPolyproline II helixtrans-66.3146-164.4-64.5-60.3000115.8
183V35.7Very low36.4Very low136 Ų136146.7 Ų146.782%0.82480%0.801SS**PPolyproline II helixtrans-103.8123.1177.1178.60000110.6
184P30.9Very low35.7Very low119 Ų119149.4 Ų149.477%0.77381%0.811SS**PPolyproline II helixtrans-78.2140174.8-14.129.7000113.4
185K30.4Very low35.5Very low214 Ų214148.7 Ų148.793%0.9381%0.811SS**PPolyproline II helixtrans-76.3128.7177.3-65.7173.7179.4173.60111.1
186S33.9Very low35.6Very low115 Ų115144.2 Ų144.280%0.80480%0.795SS**  trans-118.5142.8165.6680000111.5
187S32.3Very low35.6Very low118 Ų118141.2 Ų141.283%0.82579%0.79SS**PPolyproline II helixtrans-88.9132.7-171.8117.40000111.1
188V36.6Very low36.4Very low134 Ų134137.4 Ų137.481%0.81277%0.772SS**PPolyproline II helixtrans-97.9131.4-178.3178.40000110.7
189R31.1Very low37.2Very low236 Ų236133.4 Ų133.489%0.89174%0.74SS**PPolyproline II helixtrans-97133.9169.7-89.2-177.4170178.3-2.5110.7
190T30.1Very low38.1Very low140 Ų140132.4 Ų132.486%0.85973%0.731SS**PPolyproline II helixtrans-82.4132-178.5-46.40000111.8
191V38.7Very low39Very low131 Ų131131.5 Ų131.579%0.79473%0.731SS**  trans-127.9149.4168.8177.80000110
192S37.4Very low39.2Very low114 Ų114126.3 Ų126.380%0.79771%0.706SS**  trans-63.8145.6-15547.20000117.8
193T46.6Very low40.1Very low93 Ų93128.6 Ų128.657%0.57171%0.708SS**  trans-86.8133.2177.1410000110.5
194N40.5Very low40.3Very low146 Ų146128.9 Ų128.978%0.78171%0.705SS**SBendtrans-156-13.4150-91.7-22.4000114.1
195E43.2Very low40.9Very low189 Ų189124.6 Ų124.688%0.88368%0.676SS**SBendtrans-111.4-2175.9-64.8-170.5159.800114.6
196T46.7Very low41.6Very low81 Ų81119.4 Ų119.450%0.49765%0.651SS.*  trans-95.50.2-172.6-25.10000114.8E198 Y199T196-E198 PolarHBondContact O-N 3.16Å; T196-E198 VanDerWaalsContact O-N 3.12Å; T196-Y199 PolarHBondContact O-N 3.33Å
197Q42.4Very low42.1Very low139 Ų139114.6 Ų114.665%0.6562%0.616SS**Hα-helixtrans-62.9-23.2-171.6-74.2-173.3-11.500114.5Y199 T200Q197-Y199 PolarHBondContact O-N 2.93Å; Q197-Y199 VanDerWaalsContact O-N 3.17Å; Q197-T200 PolarHBondContact O-OG1 3.11Å
198E48Very low42.5Very low107 Ų107114.8 Ų114.850%0.561%0.612SS.*Hα-helixtrans-68-17-177.6-154.6179.2-179.800113.2K101 T196K101-E198 IonicContact NZ-OE1 2.74Å; K101-E198 PolarHBondContact NZ-OE1 2.8Å; K101-E198 IonicContact NZ-OE2 2.78Å; T196-E198 PolarHBondContact O-N 3.16Å; T196-E198 VanDerWaalsContact O-N 3.12Å
199Y48.2Very low42.3Very low31 Ų31112.4 Ų112.412%0.12259%0.593CS.*Hα-helixtrans-119.6-4.5-177.2-67.5-84.6000115.1V78 F97 T196 Q197V78-Y199 HydrophobicContact CG2-CD2 4.44Å; V78-Y199 HydrophobicContact CG2-CE2 4.35Å; F97-Y199 HydrophobicContact CB-CE2 3.7Å; F97-Y199 HydrophobicContact CD2-CE2 4.49Å; F97-Y199 HydrophobicContact CG-CE2 4.09Å; T196-Y199 PolarHBondContact O-N 3.33Å; Q197-Y199 PolarHBondContact O-N 2.93Å; Q197-Y199 VanDerWaalsContact O-N 3.17Å
200T50.8Low42.6Very low100 Ų100104 Ų10461%0.61358%0.575SS**Hα-helixtrans-84.4-15.4174.956.70000113.1Q197Q197-T200 PolarHBondContact O-OG1 3.11Å
201S48.2Very low42.6Very low106 Ų106104 Ų10474%0.74157%0.569SS**SBendtrans-88.4-10.7-172.7-168.50000115.4
202S39.6Very low42.1Very low43 Ų43103.8 Ų103.830%0.30157%0.573SS.*  trans-95.7108.8177.259.70000111.1L204S202-L204 VanDerWaalsContact C-N 3.25Å; S202-L204 PolarHBondContact O-N 3.24Å
203K51.7Low41.7Very low209 Ų209105.3 Ų105.391%0.90961%0.608SS**SBendtrans-69.1-16.3175.1-80.6-174.4176-178.60114.5
204L39.3Very low41.5Very low142 Ų142106 Ų10674%0.74361%0.609SS**SBendtrans-110.6136.7179.1-69.5169.5000110.3S202 R206S202-L204 VanDerWaalsContact C-N 3.25Å; S202-L204 PolarHBondContact O-N 3.24Å; L204-R206 PolarHBondContact O-N 3.22Å
205P42.3Very low41.5Very low28 Ų28103.8 Ų103.818%0.18260%0.6CS.*  trans-50.9133.4169.7-2634.5000110.3L43 Y49 I207L43-P205 HydrophobicContact CD2-CG 4.47Å; Y49-P205 HydrophobicContact CD2-CB 3.94Å; Y49-P205 HydrophobicContact CD2-CG 3.84Å; Y49-P205 HydrophobicContact CE2-CB 3.68Å; Y49-P205 HydrophobicContact CE2-CG 3.86Å; Y49-P205 HydrophobicContact CG-CG 4.46Å; P205-I207 PolarHBondContact O-N 3.21Å
206R46.6Very low41.5Very low105 Ų10599.1 Ų99.140%0.39659%0.585SS.*SBendtrans-79.18.6180-106-173.2-80.8-158.7-5.9113E80 L204 V208E80-R206 PolarHBondContact OE2-N 3.5Å; L204-R206 PolarHBondContact O-N 3.22Å; R206-V208 PolarHBondContact O-N 3.05Å
207I44.9Very low41.2Very low15 Ų15100.2 Ų100.28%0.07759%0.59CS.*  trans-71.765.9162.3-43.6-169.3000107.4E80 I82 D91 V93 P205 M209E80-I207 HydrophobicContact CB-CD1 4.49Å; E80-I207 HydrophobicContact CB-CG1 4.41Å; I82-I207 HydrophobicContact CB-CD1 4.13Å; I82-I207 HydrophobicContact CD1-CB 4.01Å; I82-I207 HydrophobicContact CD1-CD1 3.89Å; I82-I207 HydrophobicContact CD1-CG1 4.29Å; I82-I207 HydrophobicContact CD1-CG2 4.42Å; I82-I207 HydrophobicContact CG1-CD1 3.74Å; D91-I207 HydrophobicContact CB-CD1 4.38Å; D91-I207 HydrophobicContact CB-CG2 3.96Å; V93-I207 HydrophobicContact CB-CG1 4.46Å; V93-I207 HydrophobicContact CG2-CB 4.47Å; V93-I207 HydrophobicContact CG2-CG1 3.98Å; V93-I207 HydrophobicContact CG2-CG2 4.41Å; P205-I207 PolarHBondContact O-N 3.21Å; I207-M209 VanDerWaalsContact C-N 3.34Å; I207-M209 PolarHBondContact O-N 3.09Å; I207-M209 VanDerWaalsContact O-N 3.1Å
208V39.2Very low41.1Very low122 Ų12297.8 Ų97.874%0.73959%0.586SS**  trans-63.6110.3155-178.50000102.9R206 A210R206-V208 PolarHBondContact O-N 3.05Å; V208-A210 PolarHBondContact O-N 3.04Å
209M34Very low40.6Very low83 Ų8397.1 Ų97.141%0.40959%0.592SS.*  trans-40.4128.1172.4-62.2-74.1-85.800106.8I207 D211I207-M209 VanDerWaalsContact C-N 3.34Å; I207-M209 PolarHBondContact O-N 3.09Å; I207-M209 VanDerWaalsContact O-N 3.1Å; M209-D211 PolarHBondContact O-N 3.48Å
210A36Very low40.1Very low61 Ų61101.9 Ų101.950%0.50463%0.625SS.*  trans-65.286.2158.800000104.4V208 S212V208-A210 PolarHBondContact O-N 3.04Å; A210-S212 PolarHBondContact O-N 2.81Å
211D30.7Very low39.2Very low138 Ų138102 Ų10274%0.73863%0.626SS**  trans-53.8119.1173.3-76.2-24000105.5M209 G213M209-D211 PolarHBondContact O-N 3.48Å; D211-G213 PolarHBondContact O-N 3.14Å
212S28.3Very low38.5Very low127 Ų127101.7 Ų101.789%0.88862%0.617SS**  trans-71.989178.3-46.90000105.8A210A210-S212 PolarHBondContact O-N 2.81Å
213G29.6Very low38.4Very low147 Ų147107 Ų107100%1.51565%0.646SS**  trans-89.40160.400000109.3D211D211-G213 PolarHBondContact O-N 3.14Å

Retrieved 213 of 213 residues in 72.9 ms (Link to these results)

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