A0A060WKH0_ONCMY Loading...

Eukaryotic translation initiation factor 6

Binds to the 60S ribosomal subunit and prevents its association with the 40S ribosomal subunit to form the 80S initiation complex in the cytoplasm. May also be involved in ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A060WKH0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene EIF6, Length 245 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
1M81.1Confident89.9Confident114 Ų11460.9 Ų60.956%0.56229%0.293SS*.  0150.70-169.1179.4-55.300109.6W202 A204M1-W202 PolarHBondContact N-O 2.93Å; M1-A204 PolarHBondContact O-N 2.76Å; M1-A204 VanDerWaalsContact O-N 3.15Å
2A87.1Confident90.2Very high11 Ų1162.1 Ų62.19%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-94.3120.5172.200000111.4A204 L215 I218 E219 L224A2-A204 CarbonylContact C-O 3.58Å; A2-A204 WeakPolarHBondContact CA-O 3.32Å; A2-A204 HydrophobicContact CB-CB 4.36Å; A2-L215 HydrophobicContact CB-CD2 3.92Å; A2-I218 HydrophobicContact CB-CG2 4.46Å; A2-E219 HydrophobicContact CB-CG 3.59Å; A2-E219 PolarHBondContact N-OE1 2.98Å; A2-E219 VanDerWaalsContact N-OE1 3.07Å; A2-L224 HydrophobicContact CB-CD1 4.3Å
3V92.4Very high90.5Very high29 Ų2957.3 Ų57.318%0.17628%0.275CS..EExtended strand (participates in β ladder)trans-111.6139.6-175.7-174.70000110.3V37 E41 A204 F205 T206V3-V37 HydrophobicContact CG1-CG1 3.67Å; V3-E41 HydrophobicContact CG2-CG 4.04Å; V3-A204 PolarHBondContact N-O 2.9Å; V3-F205 HydrophobicContact CB-CD1 4.12Å; V3-F205 HydrophobicContact CB-CE1 4.28Å; V3-F205 CarbonylContact O-C 3.58Å; V3-F205 VanDerWaalsContact O-CA 3.31Å; V3-F205 WeakPolarHBondContact O-CA 3.4Å; V3-T206 PolarHBondContact O-N 2.93Å
4R93.5Very high90.6Very high91 Ų9153.5 Ų53.534%0.34326%0.258SS..EExtended strand (participates in β ladder)trans-91.1135.4177.5-62.4-176.4175.6101.3-6.4111.2T206 L208 T210 L215R4-T206 CarbonylContact C-O 3.56Å; R4-T206 VanDerWaalsContact CA-O 3.23Å; R4-T206 WeakPolarHBondContact CA-O 3.1Å; R4-L208 HydrophobicContact CB-CD2 3.96Å; R4-T210 PolarHBondContact NE-O 2.95Å; R4-T210 PolarHBondContact NH2-O 3.49Å; R4-L215 HydrophobicContact CG-CD1 4.24Å
5A92.6Very high90.8Very high4 Ų450.5 Ų50.53%0.03325%0.245CC..EExtended strand (participates in β ladder)trans-139.2169.2172.700000112.4I13 F34 V37 T206 G207 L208A5-I13 HydrophobicContact CB-CD1 3.43Å; A5-I13 VanDerWaalsContact CB-CD1 3.43Å; A5-I13 HydrophobicContact CB-CG1 4.35Å; A5-I13 WeakPolarHBondContact O-CD1 3.21Å; A5-F34 HydrophobicContact CB-CD2 4.17Å; A5-F34 HydrophobicContact CB-CE2 4.23Å; A5-V37 HydrophobicContact CB-CB 4.38Å; A5-V37 HydrophobicContact CB-CG1 3.86Å; A5-T206 PolarHBondContact N-O 2.9Å; A5-G207 CarbonylContact O-C 3.56Å; A5-G207 WeakPolarHBondContact O-CA 3.38Å; A5-L208 PolarHBondContact O-N 2.99Å; A5-L208 VanDerWaalsContact O-N 3.08Å
6S92.4Very high91.1Very high25 Ų2548.7 Ų48.718%0.17524%0.235CC..  trans-145.3139.8171.5174.90000110.1K9 N10 F34S6-K9 WeakPolarHBondContact OG-CA 3.28Å; S6-K9 PolarHBondContact OG-N 3.42Å; S6-N10 WeakPolarHBondContact CA-O 3.34Å; S6-N10 PolarHBondContact OG-O 3.03Å; S6-F34 WeakPolarHBondContact O-CD2 3.24Å
7F90.1Very high91.3Very high1 Ų145.8 Ų45.80%0.00422%0.221CC..BIsolated β-bridgetrans-107111.3176-174.8-89.8000109.1K9 N10 F16 A27 F34F7-K9 PolarHBondContact O-N 3.5Å; F7-K9 VanDerWaalsContact O-N 3.13Å; F7-N10 PolarHBondContact N-O 2.85Å; F7-N10 WeakPolarHBondContact O-CA 3.43Å; F7-N10 VanDerWaalsContact O-CB 3.22Å; F7-N10 WeakPolarHBondContact O-CB 3.33Å; F7-N10 PolarHBondContact O-N 2.69Å; F7-F16 HydrophobicContact CB-CB 4.44Å; F7-F16 HydrophobicContact CB-CD2 3.64Å; F7-F16 HydrophobicContact CB-CE2 4.1Å; F7-F16 HydrophobicContact CB-CG 4.08Å; F7-F16 HydrophobicContact CD1-CB 4.42Å; F7-F16 AromaticContact CD1-CD1 3.62Å; F7-F16 HydrophobicContact CD1-CD1 3.62Å; F7-F16 AromaticContact CD1-CD2 3.75Å; F7-F16 HydrophobicContact CD1-CD2 3.75Å; F7-F16 AromaticContact CD1-CE1 3.69Å; F7-F16 HydrophobicContact CD1-CE1 3.69Å; F7-F16 AromaticContact CD1-CE2 3.83Å; F7-F16 HydrophobicContact CD1-CE2 3.83Å; F7-F16 AromaticContact CD1-CG 3.64Å; F7-F16 HydrophobicContact CD1-CG 3.64Å; F7-F16 AromaticContact CD1-CZ 3.8Å; F7-F16 HydrophobicContact CD1-CZ 3.8Å; F7-F16 HydrophobicContact CD2-CB 4.13Å; F7-F16 HydrophobicContact CD2-CG 4.22Å; F7-F16 AromaticContact CE1-CD1 3.68Å; F7-F16 HydrophobicContact CE1-CD1 3.68Å; F7-F16 AromaticContact CE1-CE1 3.79Å; F7-F16 HydrophobicContact CE1-CE1 3.79Å; F7-F16 HydrophobicContact CE1-CG 4.12Å; F7-F16 HydrophobicContact CE1-CZ 4.32Å; F7-F16 HydrophobicContact CE2-CB 4.5Å; F7-F16 HydrophobicContact CG-CB 4.07Å; F7-F16 HydrophobicContact CG-CD1 4.13Å; F7-F16 AromaticContact CG-CD2 3.75Å; F7-F16 HydrophobicContact CG-CD2 3.75Å; F7-F16 HydrophobicContact CG-CE2 4.23Å; F7-F16 AromaticContact CG-CG 3.7Å; F7-F16 HydrophobicContact CG-CG 3.7Å; F7-F16 HydrophobicContact CZ-CD1 4.22Å; F7-A27 HydrophobicContact CE2-CB 4.16Å; F7-A27 HydrophobicContact CZ-CB 4.28Å; F7-F34 HydrophobicContact CB-CD2 4.18Å; F7-F34 HydrophobicContact CB-CE2 3.94Å; F7-F34 HydrophobicContact CB-CZ 4.18Å; F7-F34 AromaticContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD2 4.36Å; F7-F34 AromaticContact CD2-CE1 3.57Å; F7-F34 HydrophobicContact CD2-CE1 3.57Å; F7-F34 HydrophobicContact CD2-CE2 4.32Å; F7-F34 HydrophobicContact CD2-CG 4.03Å; F7-F34 AromaticContact CD2-CZ 3.95Å; F7-F34 HydrophobicContact CD2-CZ 3.95Å; F7-F34 HydrophobicContact CE2-CD1 4.26Å; F7-F34 HydrophobicContact CE2-CE1 4.24Å
8E88.1Confident91.5Very high109 Ų10945.3 Ų45.351%0.50922%0.218SC..THydrogen-bonded Turntrans50.837.6178.9-59.8-170.7146.300114.7N10 R57E8-N10 PolarHBondContact O-N 2.86Å; E8-R57 VanDerWaalsContact CD-NH1 3.32Å; E8-R57 IonicContact OE1-NH1 2.95Å; E8-R57 PolarHBondContact OE1-NH1 3.44Å; E8-R57 IonicContact OE2-CZ 3.43Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.05Å; E8-R57 IonicContact OE2-NH2 2.82Å
9K87.6Confident91.7Very high202 Ų20243.6 Ų43.688%0.87821%0.21SC*.THydrogen-bonded Turntrans728.1-173.4-48.3173.6179.3175.50115.2S6 F7S6-K9 WeakPolarHBondContact OG-CA 3.28Å; S6-K9 PolarHBondContact OG-N 3.42Å; F7-K9 PolarHBondContact O-N 3.5Å; F7-K9 VanDerWaalsContact O-N 3.13Å
10N91.2Very high91.8Very high60 Ų6041.9 Ų41.932%0.32120%0.202SC..BIsolated β-bridgetrans-91.9139167.9-163.5-18.2000109.8S6 F7 E8 E12 F16S6-N10 WeakPolarHBondContact CA-O 3.34Å; S6-N10 PolarHBondContact OG-O 3.03Å; F7-N10 PolarHBondContact N-O 2.85Å; F7-N10 WeakPolarHBondContact O-CA 3.43Å; F7-N10 VanDerWaalsContact O-CB 3.22Å; F7-N10 WeakPolarHBondContact O-CB 3.33Å; F7-N10 PolarHBondContact O-N 2.69Å; E8-N10 PolarHBondContact O-N 2.86Å; N10-E12 WeakPolarHBondContact OD1-CB 3.09Å; N10-E12 WeakPolarHBondContact OD1-CG 3.48Å; N10-E12 PolarHBondContact OD1-N 2.89Å; N10-F16 HydrophobicContact CB-CE2 4.05Å; N10-F16 HydrophobicContact CB-CZ 4.49Å
11N92.6Very high91.8Very high24 Ų2441.2 Ų41.213%0.12820%0.2CC..  trans-97.6-1.5179.4-68.3-32.4000112.4I13 N187 G207 L208 D209N11-I13 VanDerWaalsContact C-N 3.28Å; N11-I13 PolarHBondContact O-N 3.22Å; N11-N187 PolarHBondContact O-ND2 2.89Å; N11-G207 WeakPolarHBondContact O-CA 3.48Å; N11-L208 PolarHBondContact OD1-N 3.34Å; N11-D209 PolarHBondContact ND2-OD1 2.84Å; N11-D209 PolarHBondContact ND2-OD2 3.3Å
12E93.5Very high92.3Very high75 Ų7537.7 Ų37.735%0.3519%0.185SC..  trans-83.266.4175.6-62.8-175.2168.700112.2N10 G14 C15 F16 A195N10-E12 WeakPolarHBondContact OD1-CB 3.09Å; N10-E12 WeakPolarHBondContact OD1-CG 3.48Å; N10-E12 PolarHBondContact OD1-N 2.89Å; E12-G14 VanDerWaalsContact C-N 3.26Å; E12-G14 PolarHBondContact O-N 2.67Å; E12-C15 HydrophobicContact CB-CB 4.34Å; E12-C15 WeakPolarHBondContact O-CB 3.46Å; E12-C15 PolarHBondContact O-N 2.94Å; E12-C15 VanDerWaalsContact O-N 3.09Å; E12-C15 PolarHBondContact OE2-SG 3.43Å; E12-F16 WeakPolarHBondContact O-CD2 3.41Å; E12-F16 WeakPolarHBondContact O-CE2 3.5Å; E12-A195 CarbonylContact C-O 3.57Å; E12-A195 WeakPolarHBondContact CA-O 3.29Å; E12-A195 HydrophobicContact CB-CB 4.04Å; E12-A195 HydrophobicContact CG-CB 3.86Å
13I93.9Very high92.7Very high0 Ų037.2 Ų37.20%018%0.181CC..Hα-helixtrans-56.9-39.1-177.5-59.3178.3000112.4A5 N11 C15 F16 A17 F34 F38 A195 V198 F205 T206A5-I13 HydrophobicContact CB-CD1 3.43Å; A5-I13 VanDerWaalsContact CB-CD1 3.43Å; A5-I13 HydrophobicContact CB-CG1 4.35Å; A5-I13 WeakPolarHBondContact O-CD1 3.21Å; N11-I13 VanDerWaalsContact C-N 3.28Å; N11-I13 PolarHBondContact O-N 3.22Å; I13-C15 PolarHBondContact O-N 2.94Å; I13-C15 VanDerWaalsContact O-N 3.17Å; I13-F16 CarbonylContact O-C 3.54Å; I13-F16 PolarHBondContact O-N 3.17Å; I13-A17 HydrophobicContact CG2-CB 4.29Å; I13-A17 PolarHBondContact O-N 2.9Å; I13-F34 HydrophobicContact CG1-CE2 4.44Å; I13-F34 HydrophobicContact CG2-CE2 4.05Å; I13-F34 HydrophobicContact CG2-CZ 4.11Å; I13-F38 HydrophobicContact CG2-CE2 4.14Å; I13-F38 HydrophobicContact CG2-CZ 3.63Å; I13-A195 PolarHBondContact N-O 3.26Å; I13-A195 VanDerWaalsContact N-O 3.14Å; I13-V198 HydrophobicContact CG2-CG2 4.42Å; I13-F205 HydrophobicContact CD1-CB 4.39Å; I13-F205 HydrophobicContact CG2-CB 4.44Å; I13-T206 WeakPolarHBondContact CD1-O 3.2Å
14G93.1Very high92.8Very high4 Ų435.8 Ų35.84%0.04117%0.172CC..Hα-helixtrans-69.6-9-178.800000114.5E12 G60 A194 A195 V198E12-G14 VanDerWaalsContact C-N 3.26Å; E12-G14 PolarHBondContact O-N 2.67Å; G14-G60 CarbonylContact O-C 3.56Å; G14-G60 WeakPolarHBondContact O-CA 3.36Å; G14-A194 CarbonylContact C-O 3.56Å; G14-A194 WeakPolarHBondContact CA-O 3.28Å; G14-A195 WeakPolarHBondContact CA-O 3.48Å; G14-A195 PolarHBondContact N-O 2.86Å; G14-V198 VanDerWaalsContact CA-CG1 3.46Å
15C93.3Very high92.8Very high9 Ų931.5 Ų31.56%0.06116%0.156CC..Hα-helixtrans-73.6-31.6164.4-65.70000112.2E12 I13 I58 I59 G60 R61E12-C15 HydrophobicContact CB-CB 4.34Å; E12-C15 WeakPolarHBondContact O-CB 3.46Å; E12-C15 PolarHBondContact O-N 2.94Å; E12-C15 VanDerWaalsContact O-N 3.09Å; E12-C15 PolarHBondContact OE2-SG 3.43Å; I13-C15 PolarHBondContact O-N 2.94Å; I13-C15 VanDerWaalsContact O-N 3.17Å; C15-I58 CarbonylContact O-C 3.03Å; C15-I58 WeakPolarHBondContact O-CA 3.42Å; C15-I59 PolarHBondContact O-N 2.96Å; C15-G60 PolarHBondContact O-N 2.79Å; C15-R61 HydrophobicContact CB-CG 4.24Å; C15-R61 PolarHBondContact SG-NE 2.75Å
16F94.7Very high92.9Very high21 Ų2131.3 Ų31.39%0.09215%0.154CC..Hα-helixtrans-108.5-7.6-170.1-53.5-72.7000114.4F7 N10 E12 I13 A27 F34 I58 I59F7-F16 HydrophobicContact CB-CB 4.44Å; F7-F16 HydrophobicContact CB-CD2 3.64Å; F7-F16 HydrophobicContact CB-CE2 4.1Å; F7-F16 HydrophobicContact CB-CG 4.08Å; F7-F16 HydrophobicContact CD1-CB 4.42Å; F7-F16 AromaticContact CD1-CD1 3.62Å; F7-F16 HydrophobicContact CD1-CD1 3.62Å; F7-F16 AromaticContact CD1-CD2 3.75Å; F7-F16 HydrophobicContact CD1-CD2 3.75Å; F7-F16 AromaticContact CD1-CE1 3.69Å; F7-F16 HydrophobicContact CD1-CE1 3.69Å; F7-F16 AromaticContact CD1-CE2 3.83Å; F7-F16 HydrophobicContact CD1-CE2 3.83Å; F7-F16 AromaticContact CD1-CG 3.64Å; F7-F16 HydrophobicContact CD1-CG 3.64Å; F7-F16 AromaticContact CD1-CZ 3.8Å; F7-F16 HydrophobicContact CD1-CZ 3.8Å; F7-F16 HydrophobicContact CD2-CB 4.13Å; F7-F16 HydrophobicContact CD2-CG 4.22Å; F7-F16 AromaticContact CE1-CD1 3.68Å; F7-F16 HydrophobicContact CE1-CD1 3.68Å; F7-F16 AromaticContact CE1-CE1 3.79Å; F7-F16 HydrophobicContact CE1-CE1 3.79Å; F7-F16 HydrophobicContact CE1-CG 4.12Å; F7-F16 HydrophobicContact CE1-CZ 4.32Å; F7-F16 HydrophobicContact CE2-CB 4.5Å; F7-F16 HydrophobicContact CG-CB 4.07Å; F7-F16 HydrophobicContact CG-CD1 4.13Å; F7-F16 AromaticContact CG-CD2 3.75Å; F7-F16 HydrophobicContact CG-CD2 3.75Å; F7-F16 HydrophobicContact CG-CE2 4.23Å; F7-F16 AromaticContact CG-CG 3.7Å; F7-F16 HydrophobicContact CG-CG 3.7Å; F7-F16 HydrophobicContact CZ-CD1 4.22Å; N10-F16 HydrophobicContact CB-CE2 4.05Å; N10-F16 HydrophobicContact CB-CZ 4.49Å; E12-F16 WeakPolarHBondContact O-CD2 3.41Å; E12-F16 WeakPolarHBondContact O-CE2 3.5Å; I13-F16 CarbonylContact O-C 3.54Å; I13-F16 PolarHBondContact O-N 3.17Å; F16-A27 HydrophobicContact CB-CB 4.04Å; F16-A27 HydrophobicContact CD1-CB 4.49Å; F16-A27 VanDerWaalsContact O-CB 3.29Å; F16-A27 WeakPolarHBondContact O-CB 3.33Å; F16-A27 PolarHBondContact O-N 2.84Å; F16-F34 HydrophobicContact CB-CZ 4.44Å; F16-I58 HydrophobicContact CE1-CG2 4.2Å; F16-I59 WeakPolarHBondContact O-CD1 3.36Å; F16-I59 WeakPolarHBondContact O-CG1 3.42Å
17A94.4Very high93Very high0 Ų030.1 Ų30.10%015%0.146CC..EExtended strand (participates in β ladder)trans-134.7150.3178.200000110.8I13 L25 F38 G60I13-A17 HydrophobicContact CG2-CB 4.29Å; I13-A17 PolarHBondContact O-N 2.9Å; A17-L25 CarbonylContact C-O 3.39Å; A17-L25 VanDerWaalsContact CA-O 3.25Å; A17-L25 WeakPolarHBondContact CA-O 3.29Å; A17-F38 HydrophobicContact CB-CE1 3.91Å; A17-F38 HydrophobicContact CB-CZ 3.69Å; A17-G60 WeakPolarHBondContact O-CA 3.29Å
18K95.3Very high93Very high37 Ų3733.6 Ų33.616%0.16116%0.164CC..EExtended strand (participates in β ladder)trans-125.5121.2166.7-16773.3-178.8-170.70108.4C24 L25K18-C24 CarbonylContact O-C 3.56Å; K18-C24 WeakPolarHBondContact O-CA 3.36Å; K18-L25 HydrophobicContact CB-CB 4.23Å; K18-L25 PolarHBondContact N-O 3.04Å; K18-L25 PolarHBondContact O-N 3.28Å
19L94.9Very high92.8Very high13 Ų1330.6 Ų30.67%0.06816%0.163CC..EExtended strand (participates in β ladder)trans-109.6134.3180-174.163.3000109.6C24 L42 I46 V198 N200 F205L19-C24 HydrophobicContact CD1-CB 3.83Å; L19-L42 HydrophobicContact CD1-CD1 3.62Å; L19-L42 HydrophobicContact CD1-CD2 4.18Å; L19-I46 HydrophobicContact CD1-CD1 3.76Å; L19-V198 HydrophobicContact CB-CB 3.97Å; L19-V198 HydrophobicContact CB-CG2 4.03Å; L19-V198 HydrophobicContact CD2-CG2 4.44Å; L19-N200 HydrophobicContact CD2-CB 3.92Å; L19-N200 HydrophobicContact CG-CB 3.92Å; L19-F205 HydrophobicContact CD2-CD2 3.86Å; L19-F205 HydrophobicContact CD2-CE2 3.89Å
20T94.3Very high92.6Very high8 Ų821.8 Ų21.85%0.04913%0.129CC..  trans-133179.117271.90000109.4T22 Y23 G65T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 2.94Å; T20-T22 PolarHBondContact OG1-N 3.27Å; T20-Y23 HydrophobicContact CG2-CD2 4.32Å; T20-Y23 HydrophobicContact CG2-CE1 4.23Å; T20-Y23 HydrophobicContact CG2-CE2 3.7Å; T20-Y23 PolarHBondContact N-O 3.21Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.3Å; T20-Y23 PolarHBondContact OG1-N 2.82Å; T20-Y23 PolarHBondContact OG1-O 3.4Å; T20-G65 WeakPolarHBondContact CG2-O 3.47Å
21N91.9Very high92.4Very high29 Ų2921.5 Ų21.516%0.15513%0.131CC..SBendtrans-75.2-8.3175.2-76.8-16.3000114.3R67 D112 N156 N200 D201 W202N21-R67 HydrophobicContact CB-CB 4.31Å; N21-D112 PolarHBondContact ND2-OD2 3.17Å; N21-N156 PolarHBondContact ND2-ND2 3.45Å; N21-N200 WeakPolarHBondContact OD1-CB 3.42Å; N21-D201 PolarHBondContact ND2-OD2 3.17Å; N21-D201 PolarHBondContact OD1-N 2.86Å; N21-W202 HydrophobicContact CB-CH2 4.37Å; N21-W202 HydrophobicContact CB-CZ3 4.15Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.13Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.16Å
22T92.3Very high92.1Very high40 Ų4027.9 Ų27.925%0.24516%0.16CC..SBendtrans-127.6-18.5-177.748.30000114.4T20 P47 R67T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 2.94Å; T20-T22 PolarHBondContact OG1-N 3.27Å; T22-P47 WeakPolarHBondContact O-CD 3.43Å; T22-R67 HydrophobicContact CG2-CB 3.69Å; T22-R67 VanDerWaalsContact OG1-CA 3.31Å; T22-R67 WeakPolarHBondContact OG1-CA 3.42Å; T22-R67 PolarHBondContact OG1-O 3.11Å
23Y93.9Very high91.9Very high0 Ų030.4 Ų30.40%018%0.176CC..  trans-154.9155.3179.759.6-94000110.3T20 L25 N66 G69 L70 L88 V92T20-Y23 HydrophobicContact CG2-CD2 4.32Å; T20-Y23 HydrophobicContact CG2-CE1 4.23Å; T20-Y23 HydrophobicContact CG2-CE2 3.7Å; T20-Y23 PolarHBondContact N-O 3.21Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.3Å; T20-Y23 PolarHBondContact OG1-N 2.82Å; T20-Y23 PolarHBondContact OG1-O 3.4Å; Y23-L25 HydrophobicContact CD2-CD2 4.35Å; Y23-L25 HydrophobicContact CD2-CG 4.13Å; Y23-L25 HydrophobicContact CE2-CD1 4.46Å; Y23-L25 HydrophobicContact CE2-CG 4.27Å; Y23-N66 VanDerWaalsContact CE1-O 3.28Å; Y23-N66 WeakPolarHBondContact CE1-O 3.47Å; Y23-N66 PolarHBondContact OH-O 3.37Å; Y23-G69 PolarHBondContact OH-O 3.43Å; Y23-L70 HydrophobicContact CE2-CD1 4.04Å; Y23-L70 WeakPolarHBondContact OH-CB 3.43Å; Y23-L88 HydrophobicContact CD1-CD2 4.09Å; Y23-L88 HydrophobicContact CD1-CG 4.38Å; Y23-L88 HydrophobicContact CD2-CD2 4.18Å; Y23-L88 HydrophobicContact CE1-CD2 4.25Å; Y23-L88 HydrophobicContact CE2-CD2 4.32Å; Y23-L88 HydrophobicContact CG-CD2 4.07Å; Y23-L88 HydrophobicContact CG-CG 4.14Å; Y23-V92 HydrophobicContact CD1-CG1 4.22Å; Y23-V92 HydrophobicContact CD1-CG2 3.76Å; Y23-V92 HydrophobicContact CE1-CB 4.34Å; Y23-V92 HydrophobicContact CE1-CG1 3.56Å; Y23-V92 HydrophobicContact CE1-CG2 3.82Å
24C94.8Very high91.6Very high0 Ų030.4 Ų30.40%018%0.177CC..EExtended strand (participates in β ladder)trans-123130.7170.2-1750000109.2K18 L19 L42 I46 P47 V48 V49K18-C24 CarbonylContact O-C 3.56Å; K18-C24 WeakPolarHBondContact O-CA 3.36Å; L19-C24 HydrophobicContact CD1-CB 3.83Å; C24-L42 HydrophobicContact CB-CD1 3.88Å; C24-I46 HydrophobicContact CB-CD1 4.08Å; C24-P47 PolarHBondContact N-O 3.08Å; C24-V48 HydrophobicContact CB-CG2 4.35Å; C24-V49 PolarHBondContact O-N 3.28Å
25L94.4Very high91.5Very high1 Ų131.8 Ų31.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-101.9134.2170.3-56.8179.2000108.4A17 K18 Y23 V49 I59 L70 L88A17-L25 CarbonylContact C-O 3.39Å; A17-L25 VanDerWaalsContact CA-O 3.25Å; A17-L25 WeakPolarHBondContact CA-O 3.29Å; K18-L25 HydrophobicContact CB-CB 4.23Å; K18-L25 PolarHBondContact N-O 3.04Å; K18-L25 PolarHBondContact O-N 3.28Å; Y23-L25 HydrophobicContact CD2-CD2 4.35Å; Y23-L25 HydrophobicContact CD2-CG 4.13Å; Y23-L25 HydrophobicContact CE2-CD1 4.46Å; Y23-L25 HydrophobicContact CE2-CG 4.27Å; L25-V49 WeakPolarHBondContact CA-O 3.36Å; L25-V49 HydrophobicContact CD2-CB 3.94Å; L25-V49 HydrophobicContact CD2-CG1 4.38Å; L25-I59 HydrophobicContact CB-CD1 3.62Å; L25-I59 VanDerWaalsContact O-CD1 3.29Å; L25-I59 WeakPolarHBondContact O-CD1 3.39Å; L25-L70 HydrophobicContact CD1-CD1 3.78Å; L25-L70 HydrophobicContact CD1-CD2 3.78Å; L25-L70 HydrophobicContact CD1-CG 4.45Å; L25-L88 HydrophobicContact CD2-CD1 4.02Å
26V94.4Very high91.4Very high0 Ų034.7 Ų34.70%020%0.201CC..EExtended strand (participates in β ladder)trans-130.3137.7178.8-169.10000109.6F34 Y35 F38 V48 V49 H50 A51 I59V26-F34 HydrophobicContact CG1-CD1 3.79Å; V26-F34 HydrophobicContact CG1-CE1 3.29Å; V26-F34 HydrophobicContact CG1-CZ 4.33Å; V26-Y35 HydrophobicContact CB-CE1 4.4Å; V26-Y35 HydrophobicContact CG1-CD1 3.83Å; V26-Y35 HydrophobicContact CG1-CE1 3.65Å; V26-F38 HydrophobicContact CG2-CD1 4.3Å; V26-F38 HydrophobicContact CG2-CG 4.24Å; V26-V48 HydrophobicContact CB-CG1 4.41Å; V26-V48 HydrophobicContact CG2-CG1 3.53Å; V26-V49 PolarHBondContact N-O 3.26Å; V26-H50 WeakPolarHBondContact O-CA 3.41Å; V26-A51 PolarHBondContact O-N 3.03Å; V26-I59 VanDerWaalsContact CA-CD1 3.46Å; V26-I59 VanDerWaalsContact N-CD1 3.33Å
27A93.9Very high91.3Very high0 Ų035.5 Ų35.50%021%0.208CC..EExtended strand (participates in β ladder)trans-60.4140.1-178.900000112F7 F16 Y35 R57 I59F7-A27 HydrophobicContact CE2-CB 4.16Å; F7-A27 HydrophobicContact CZ-CB 4.28Å; F16-A27 HydrophobicContact CB-CB 4.04Å; F16-A27 HydrophobicContact CD1-CB 4.49Å; F16-A27 VanDerWaalsContact O-CB 3.29Å; F16-A27 WeakPolarHBondContact O-CB 3.33Å; F16-A27 PolarHBondContact O-N 2.84Å; A27-Y35 WeakPolarHBondContact O-CE1 3.38Å; A27-Y35 PolarHBondContact O-OH 3.48Å; A27-R57 HydrophobicContact CB-CB 4.33Å; A27-R57 WeakPolarHBondContact CB-O 3.25Å; A27-I59 HydrophobicContact CB-CG1 4.25Å; A27-I59 VanDerWaalsContact N-CD1 3.33Å
28I90.5Very high91.1Very high73 Ų7335.5 Ų35.537%0.37421%0.208SC..THydrogen-bonded Turntrans-68.4150.4167.259.7170.5000111.6Y35 H50 A51 R57I28-Y35 WeakPolarHBondContact CA-OH 3.47Å; I28-H50 HydrophobicContact CG2-CB 4.22Å; I28-A51 PolarHBondContact N-O 3.08Å; I28-R57 WeakPolarHBondContact O-CD 3.47Å
29G84Confident90.9Very high47 Ų4737.4 Ų37.449%0.48522%0.217SC..THydrogen-bonded Turntrans83.317.7177.900000114.6Y35G29-Y35 PolarHBondContact N-OH 3.06Å; G29-Y35 VanDerWaalsContact N-OH 3.14Å
30G83.3Confident90.5Very high16 Ų1639.6 Ų39.617%0.16524%0.243CC..  trans-77.6166.2167.500000112.3Y35G30-Y35 PolarHBondContact N-OH 3.48Å; G30-Y35 WeakPolarHBondContact O-CE2 3.39Å
31S87.1Confident90.2Very high54 Ų5443.1 Ų43.138%0.37826%0.259SS..  trans-76.2153.6169.959.10000110.6N33 F34 Y35S31-N33 PolarHBondContact O-N 3.46Å; S31-N33 VanDerWaalsContact O-N 3.13Å; S31-F34 WeakPolarHBondContact O-CB 3.35Å; S31-F34 PolarHBondContact O-N 3.41Å; S31-Y35 WeakPolarHBondContact O-CD2 3.45Å; S31-Y35 PolarHBondContact O-N 2.96Å
32E86.9Confident90.1Very high158 Ų15841.7 Ų41.774%0.73825%0.251SS*.Hα-helixtrans-56.2-30.7173.9-71.6-17717200112.1F34 Y35 S36E32-F34 VanDerWaalsContact C-N 3.27Å; E32-F34 PolarHBondContact O-N 3.26Å; E32-Y35 PolarHBondContact O-N 2.73Å; E32-S36 VanDerWaalsContact O-CB 3.26Å; E32-S36 WeakPolarHBondContact O-CB 3.48Å; E32-S36 PolarHBondContact O-N 3.34Å; E32-S36 PolarHBondContact O-OG 2.7Å
33N87.7Confident89.6Confident128 Ų12843.5 Ų43.568%0.68427%0.265SS*.Hα-helixtrans-59.7-38.6174.1-69.2-5.8000112.2S31 V37S31-N33 PolarHBondContact O-N 3.46Å; S31-N33 VanDerWaalsContact O-N 3.13Å; N33-V37 VanDerWaalsContact O-CG2 3.32Å; N33-V37 WeakPolarHBondContact O-CG2 3.36Å; N33-V37 PolarHBondContact O-N 3.39Å
34F89.6Confident89Confident1 Ų152.5 Ų52.50%0.00431%0.307CS..Hα-helixtrans-69.2-47.2177.5-175.9-109.6000110.7A5 S6 F7 I13 F16 V26 S31 E32 S36 V37 F38A5-F34 HydrophobicContact CB-CD2 4.17Å; A5-F34 HydrophobicContact CB-CE2 4.23Å; S6-F34 WeakPolarHBondContact O-CD2 3.24Å; F7-F34 HydrophobicContact CB-CD2 4.18Å; F7-F34 HydrophobicContact CB-CE2 3.94Å; F7-F34 HydrophobicContact CB-CZ 4.18Å; F7-F34 AromaticContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD2 4.36Å; F7-F34 AromaticContact CD2-CE1 3.57Å; F7-F34 HydrophobicContact CD2-CE1 3.57Å; F7-F34 HydrophobicContact CD2-CE2 4.32Å; F7-F34 HydrophobicContact CD2-CG 4.03Å; F7-F34 AromaticContact CD2-CZ 3.95Å; F7-F34 HydrophobicContact CD2-CZ 3.95Å; F7-F34 HydrophobicContact CE2-CD1 4.26Å; F7-F34 HydrophobicContact CE2-CE1 4.24Å; I13-F34 HydrophobicContact CG1-CE2 4.44Å; I13-F34 HydrophobicContact CG2-CE2 4.05Å; I13-F34 HydrophobicContact CG2-CZ 4.11Å; F16-F34 HydrophobicContact CB-CZ 4.44Å; V26-F34 HydrophobicContact CG1-CD1 3.79Å; V26-F34 HydrophobicContact CG1-CE1 3.29Å; V26-F34 HydrophobicContact CG1-CZ 4.33Å; S31-F34 WeakPolarHBondContact O-CB 3.35Å; S31-F34 PolarHBondContact O-N 3.41Å; E32-F34 VanDerWaalsContact C-N 3.27Å; E32-F34 PolarHBondContact O-N 3.26Å; F34-S36 VanDerWaalsContact C-N 3.35Å; F34-S36 PolarHBondContact O-N 2.99Å; F34-V37 PolarHBondContact O-N 2.87Å; F34-F38 HydrophobicContact CD1-CE2 4.47Å; F34-F38 HydrophobicContact CD2-CE2 4.15Å; F34-F38 HydrophobicContact CE1-CD2 4.35Å; F34-F38 AromaticContact CE1-CE2 3.96Å; F34-F38 HydrophobicContact CE1-CE2 3.96Å; F34-F38 HydrophobicContact CE2-CD2 4.4Å; F34-F38 AromaticContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CZ 4.41Å; F34-F38 HydrophobicContact CZ-CD2 4.26Å; F34-F38 AromaticContact CZ-CE2 3.45Å; F34-F38 HydrophobicContact CZ-CE2 3.45Å; F34-F38 VanDerWaalsContact CZ-CE2 3.45Å; F34-F38 HydrophobicContact CZ-CZ 4.11Å; F34-F38 WeakPolarHBondContact O-CD2 3.26Å; F34-F38 PolarHBondContact O-N 3.4Å
35Y91.1Very high88.5Confident33 Ų3356.7 Ų56.713%0.12933%0.333CS..Hα-helixtrans-62.4-42.2178.5-58.8-46.2000112.2V26 A27 I28 G29 G30 S31 E32 V37 F38 E39 H50V26-Y35 HydrophobicContact CB-CE1 4.4Å; V26-Y35 HydrophobicContact CG1-CD1 3.83Å; V26-Y35 HydrophobicContact CG1-CE1 3.65Å; A27-Y35 WeakPolarHBondContact O-CE1 3.38Å; A27-Y35 PolarHBondContact O-OH 3.48Å; I28-Y35 WeakPolarHBondContact CA-OH 3.47Å; G29-Y35 PolarHBondContact N-OH 3.06Å; G29-Y35 VanDerWaalsContact N-OH 3.14Å; G30-Y35 PolarHBondContact N-OH 3.48Å; G30-Y35 WeakPolarHBondContact O-CE2 3.39Å; S31-Y35 WeakPolarHBondContact O-CD2 3.45Å; S31-Y35 PolarHBondContact O-N 2.96Å; E32-Y35 PolarHBondContact O-N 2.73Å; Y35-V37 PolarHBondContact O-N 3.23Å; Y35-F38 PolarHBondContact O-N 2.97Å; Y35-F38 VanDerWaalsContact O-N 3.09Å; Y35-E39 WeakPolarHBondContact O-CB 3.14Å; Y35-E39 WeakPolarHBondContact O-CG 3.48Å; Y35-E39 PolarHBondContact O-N 3.24Å; Y35-H50 AromaticContact CD1-CD2 3.57Å; Y35-H50 AromaticContact CD1-NE2 3.17Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.34Å; Y35-H50 AromaticContact CE1-CD2 3.4Å; Y35-H50 WeakPolarHBondContact CE1-CD2 3.15Å; Y35-H50 AromaticContact CE1-NE2 3.53Å; Y35-H50 AromaticContact CG-NE2 3.58Å; Y35-H50 AromaticContact CZ-CD2 4Å
36S90.2Very high88.4Confident69 Ų6957 Ų5748%0.48334%0.335SS..Hα-helixtrans-59.1-33.5178.3-60.40000112.8E32 F34 G40E32-S36 VanDerWaalsContact O-CB 3.26Å; E32-S36 WeakPolarHBondContact O-CB 3.48Å; E32-S36 PolarHBondContact O-N 3.34Å; E32-S36 PolarHBondContact O-OG 2.7Å; F34-S36 VanDerWaalsContact C-N 3.35Å; F34-S36 PolarHBondContact O-N 2.99Å; S36-G40 WeakPolarHBondContact O-CA 3.31Å; S36-G40 PolarHBondContact O-N 3.38Å
37V92.1Very high88.3Confident39 Ų3959.4 Ų59.424%0.23635%0.35CS..Hα-helixtrans-68.1-42.6177.1169.50000111.3V3 A5 N33 F34 Y35 F205V3-V37 HydrophobicContact CG1-CG1 3.67Å; A5-V37 HydrophobicContact CB-CB 4.38Å; A5-V37 HydrophobicContact CB-CG1 3.86Å; N33-V37 VanDerWaalsContact O-CG2 3.32Å; N33-V37 WeakPolarHBondContact O-CG2 3.36Å; N33-V37 PolarHBondContact O-N 3.39Å; F34-V37 PolarHBondContact O-N 2.87Å; Y35-V37 PolarHBondContact O-N 3.23Å; V37-F205 HydrophobicContact CG1-CD1 3.86Å; V37-F205 HydrophobicContact CG1-CE1 3.84Å
38F91.2Very high88.2Confident0 Ų060.6 Ų60.60%036%0.358CS..Hα-helixtrans-72.9-47.9177.3-78.2-93.4000111.4I13 A17 V26 F34 Y35 G40 E41 L42 V48 V198 F205I13-F38 HydrophobicContact CG2-CE2 4.14Å; I13-F38 HydrophobicContact CG2-CZ 3.63Å; A17-F38 HydrophobicContact CB-CE1 3.91Å; A17-F38 HydrophobicContact CB-CZ 3.69Å; V26-F38 HydrophobicContact CG2-CD1 4.3Å; V26-F38 HydrophobicContact CG2-CG 4.24Å; F34-F38 HydrophobicContact CD1-CE2 4.47Å; F34-F38 HydrophobicContact CD2-CE2 4.15Å; F34-F38 HydrophobicContact CE1-CD2 4.35Å; F34-F38 AromaticContact CE1-CE2 3.96Å; F34-F38 HydrophobicContact CE1-CE2 3.96Å; F34-F38 HydrophobicContact CE2-CD2 4.4Å; F34-F38 AromaticContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CZ 4.41Å; F34-F38 HydrophobicContact CZ-CD2 4.26Å; F34-F38 AromaticContact CZ-CE2 3.45Å; F34-F38 HydrophobicContact CZ-CE2 3.45Å; F34-F38 VanDerWaalsContact CZ-CE2 3.45Å; F34-F38 HydrophobicContact CZ-CZ 4.11Å; F34-F38 WeakPolarHBondContact O-CD2 3.26Å; F34-F38 PolarHBondContact O-N 3.4Å; Y35-F38 PolarHBondContact O-N 2.97Å; Y35-F38 VanDerWaalsContact O-N 3.09Å; F38-G40 VanDerWaalsContact C-N 3.32Å; F38-G40 PolarHBondContact O-N 3.03Å; F38-E41 PolarHBondContact O-N 2.92Å; F38-L42 HydrophobicContact CB-CD1 4.37Å; F38-L42 HydrophobicContact CD1-CD1 3.87Å; F38-L42 WeakPolarHBondContact O-CB 3.26Å; F38-L42 VanDerWaalsContact O-CG 3.31Å; F38-L42 WeakPolarHBondContact O-CG 3.31Å; F38-L42 PolarHBondContact O-N 2.93Å; F38-V48 HydrophobicContact CB-CG1 4.31Å; F38-V198 HydrophobicContact CE1-CG2 4.26Å; F38-V198 HydrophobicContact CZ-CG2 4.44Å; F38-F205 HydrophobicContact CD1-CD1 4.35Å; F38-F205 HydrophobicContact CD1-CD2 4.08Å; F38-F205 HydrophobicContact CD1-CE1 4.18Å; F38-F205 AromaticContact CD1-CE2 3.9Å; F38-F205 HydrophobicContact CD1-CE2 3.9Å; F38-F205 HydrophobicContact CD1-CG 4.3Å; F38-F205 AromaticContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CE1-CB 4.27Å; F38-F205 HydrophobicContact CE1-CD1 4.15Å; F38-F205 AromaticContact CE1-CD2 3.64Å; F38-F205 HydrophobicContact CE1-CD2 3.64Å; F38-F205 HydrophobicContact CE1-CE1 4.41Å; F38-F205 AromaticContact CE1-CE2 3.94Å; F38-F205 HydrophobicContact CE1-CE2 3.94Å; F38-F205 AromaticContact CE1-CG 3.74Å; F38-F205 HydrophobicContact CE1-CG 3.74Å; F38-F205 HydrophobicContact CE1-CZ 4.31Å; F38-F205 HydrophobicContact CE2-CD1 4.42Å; F38-F205 HydrophobicContact CG-CE1 4.33Å; F38-F205 HydrophobicContact CG-CZ 4.41Å; F38-F205 HydrophobicContact CZ-CB 4.05Å; F38-F205 HydrophobicContact CZ-CD1 4.18Å; F38-F205 HydrophobicContact CZ-CD2 4.26Å; F38-F205 AromaticContact CZ-CG 3.89Å; F38-F205 HydrophobicContact CZ-CG 3.89Å
39E89.7Confident88.3Confident76 Ų7657.4 Ų57.436%0.35534%0.341SS..Hα-helixtrans-64.3-37.4-179.3-69.4178.6172.900111.7Y35 E41 L42 S43 V48 H50Y35-E39 WeakPolarHBondContact O-CB 3.14Å; Y35-E39 WeakPolarHBondContact O-CG 3.48Å; Y35-E39 PolarHBondContact O-N 3.24Å; E39-E41 VanDerWaalsContact C-N 3.27Å; E39-E41 PolarHBondContact O-N 2.8Å; E39-L42 PolarHBondContact O-N 3.33Å; E39-S43 WeakPolarHBondContact O-CB 3.26Å; E39-S43 PolarHBondContact O-N 3.1Å; E39-S43 PolarHBondContact O-OG 3.31Å; E39-V48 HydrophobicContact CG-CB 4.29Å; E39-V48 HydrophobicContact CG-CG1 4.35Å; E39-V48 HydrophobicContact CG-CG2 4.36Å; E39-H50 IonicContact OE1-CE1 3.85Å; E39-H50 IonicContact OE1-NE2 3.7Å
40G88.4Confident88.8Confident59 Ų5958.1 Ų58.161%0.60833%0.332SS*.Hα-helixtrans-60.1-34.7178.600000113.9S36 F38S36-G40 WeakPolarHBondContact O-CA 3.31Å; S36-G40 PolarHBondContact O-N 3.38Å; F38-G40 VanDerWaalsContact C-N 3.32Å; F38-G40 PolarHBondContact O-N 3.03Å
41E87.6Confident89.2Confident82 Ų8257.5 Ų57.538%0.38333%0.325SS..Hα-helixtrans-97-28.3-179.5-64-64.3141.600113.3V3 F38 E39 F205V3-E41 HydrophobicContact CG2-CG 4.04Å; F38-E41 PolarHBondContact O-N 2.92Å; E39-E41 VanDerWaalsContact C-N 3.27Å; E39-E41 PolarHBondContact O-N 2.8Å; E41-F205 HydrophobicContact CB-CE1 4.42Å; E41-F205 HydrophobicContact CB-CZ 4Å; E41-F205 HydrophobicContact CG-CE1 4.34Å; E41-F205 HydrophobicContact CG-CZ 4.38Å
42L88.3Confident89.5Confident0 Ų056 Ų560%032%0.315CS..Hα-helixtrans-109.6-26.6-167.7-59.6175.1000114.3L19 C24 F38 E39 E44 T45 I46 V48 C203 F205L19-L42 HydrophobicContact CD1-CD1 3.62Å; L19-L42 HydrophobicContact CD1-CD2 4.18Å; C24-L42 HydrophobicContact CB-CD1 3.88Å; F38-L42 HydrophobicContact CB-CD1 4.37Å; F38-L42 HydrophobicContact CD1-CD1 3.87Å; F38-L42 WeakPolarHBondContact O-CB 3.26Å; F38-L42 VanDerWaalsContact O-CG 3.31Å; F38-L42 WeakPolarHBondContact O-CG 3.31Å; F38-L42 PolarHBondContact O-N 2.93Å; E39-L42 PolarHBondContact O-N 3.33Å; L42-E44 PolarHBondContact O-N 3.01Å; L42-T45 PolarHBondContact O-N 2.91Å; L42-T45 PolarHBondContact O-OG1 2.77Å; L42-T45 VanDerWaalsContact O-OG1 3.14Å; L42-I46 HydrophobicContact CB-CD1 4.33Å; L42-I46 HydrophobicContact CB-CG1 3.8Å; L42-I46 HydrophobicContact CD1-CD1 4.16Å; L42-I46 HydrophobicContact CD1-CG1 4.48Å; L42-I46 HydrophobicContact CD2-CD1 3.87Å; L42-I46 HydrophobicContact CD2-CG1 4.11Å; L42-I46 HydrophobicContact CG-CD1 4.34Å; L42-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 PolarHBondContact O-N 3.05Å; L42-I46 VanDerWaalsContact O-O 3.05Å; L42-V48 HydrophobicContact CB-CG2 3.88Å; L42-V48 HydrophobicContact CD1-CG2 4.29Å; L42-C203 HydrophobicContact CD2-CB 4.45Å; L42-F205 HydrophobicContact CD1-CE2 3.82Å; L42-F205 HydrophobicContact CD1-CZ 3.93Å; L42-F205 HydrophobicContact CD2-CE2 4.26Å; L42-F205 HydrophobicContact CD2-CZ 4.39Å; L42-F205 HydrophobicContact CG-CE2 4.15Å; L42-F205 HydrophobicContact CG-CZ 3.96Å
43S81.7Confident89.8Confident77 Ų7748.5 Ų48.554%0.53828%0.28SS..THydrogen-bonded Turntrans-59.8-27-167.260.30000114.5E39E39-S43 WeakPolarHBondContact O-CB 3.26Å; E39-S43 PolarHBondContact O-N 3.1Å; E39-S43 PolarHBondContact O-OG 3.31Å
44E81.5Confident89.9Confident189 Ų18943.5 Ų43.588%0.88326%0.256SS*.THydrogen-bonded Turntrans-75.9-22.5177-61.3-171.5170.500113.3L42L42-E44 PolarHBondContact O-N 3.01Å
45T84.6Confident89.8Confident89 Ų8946.5 Ų46.555%0.54629%0.288SS..THydrogen-bonded Turntrans-114.8-42.3-170.654.70000113.7L42L42-T45 PolarHBondContact O-N 2.91Å; L42-T45 PolarHBondContact O-OG1 2.77Å; L42-T45 VanDerWaalsContact O-OG1 3.14Å
46I91.8Very high89.8Confident8 Ų847.3 Ų47.34%0.04130%0.298CS..SBendtrans-136.5145.7-176.963.4175.1000111.7L19 C24 L42 V48 W202L19-I46 HydrophobicContact CD1-CD1 3.76Å; C24-I46 HydrophobicContact CB-CD1 4.08Å; L42-I46 HydrophobicContact CB-CD1 4.33Å; L42-I46 HydrophobicContact CB-CG1 3.8Å; L42-I46 HydrophobicContact CD1-CD1 4.16Å; L42-I46 HydrophobicContact CD1-CG1 4.48Å; L42-I46 HydrophobicContact CD2-CD1 3.87Å; L42-I46 HydrophobicContact CD2-CG1 4.11Å; L42-I46 HydrophobicContact CG-CD1 4.34Å; L42-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 PolarHBondContact O-N 3.05Å; L42-I46 VanDerWaalsContact O-O 3.05Å; I46-V48 PolarHBondContact O-N 3.48Å; I46-W202 HydrophobicContact CD1-CZ2 4.42Å; I46-W202 HydrophobicContact CG2-CH2 4.14Å; I46-W202 HydrophobicContact CG2-CZ2 3.96Å
47P92.4Very high89.9Confident49 Ų4949.6 Ų49.632%0.31830%0.296SS..  trans-66.2129174.527.2-34.8000111.2T22 C24 V49T22-P47 WeakPolarHBondContact O-CD 3.43Å; C24-P47 PolarHBondContact N-O 3.08Å; P47-V49 HydrophobicContact CB-CG2 4.38Å
48V92.8Very high89.9Confident26 Ų2651.1 Ų51.116%0.15830%0.301CS..EExtended strand (participates in β ladder)trans-95.4114.9169.4-176.50000107.9C24 V26 F38 E39 L42 I46C24-V48 HydrophobicContact CB-CG2 4.35Å; V26-V48 HydrophobicContact CB-CG1 4.41Å; V26-V48 HydrophobicContact CG2-CG1 3.53Å; F38-V48 HydrophobicContact CB-CG1 4.31Å; E39-V48 HydrophobicContact CG-CB 4.29Å; E39-V48 HydrophobicContact CG-CG1 4.35Å; E39-V48 HydrophobicContact CG-CG2 4.36Å; L42-V48 HydrophobicContact CB-CG2 3.88Å; L42-V48 HydrophobicContact CD1-CG2 4.29Å; I46-V48 PolarHBondContact O-N 3.48Å
49V93.1Very high89.9Confident6 Ų651.1 Ų51.14%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-111.9118.9-172.8-1760000110.3C24 L25 V26 P47 A51 C87 L88C24-V49 PolarHBondContact O-N 3.28Å; L25-V49 WeakPolarHBondContact CA-O 3.36Å; L25-V49 HydrophobicContact CD2-CB 3.94Å; L25-V49 HydrophobicContact CD2-CG1 4.38Å; V26-V49 PolarHBondContact N-O 3.26Å; P47-V49 HydrophobicContact CB-CG2 4.38Å; V49-A51 PolarHBondContact O-N 3.27Å; V49-C87 HydrophobicContact CB-CB 4.26Å; V49-C87 HydrophobicContact CG1-CB 3.62Å; V49-C87 HydrophobicContact CG2-CB 3.58Å; V49-L88 HydrophobicContact CG2-CD1 3.94Å
50H93.6Very high90Very high62 Ų6247.7 Ų47.729%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-77.3114172.3-58131.5000110.1V26 I28 Y35 E39 H83V26-H50 WeakPolarHBondContact O-CA 3.41Å; I28-H50 HydrophobicContact CG2-CB 4.22Å; Y35-H50 AromaticContact CD1-CD2 3.57Å; Y35-H50 AromaticContact CD1-NE2 3.17Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.34Å; Y35-H50 AromaticContact CE1-CD2 3.4Å; Y35-H50 WeakPolarHBondContact CE1-CD2 3.15Å; Y35-H50 AromaticContact CE1-NE2 3.53Å; Y35-H50 AromaticContact CG-NE2 3.58Å; Y35-H50 AromaticContact CZ-CD2 4Å; E39-H50 IonicContact OE1-CE1 3.85Å; E39-H50 IonicContact OE1-NE2 3.7Å; H50-H83 PolarHBondContact O-CD2 2.95Å; H50-H83 PolarHBondContact O-NE2 2.71Å
51A92.5Very high90.2Very high3 Ų346 Ų463%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-142.3156.7-177.800000112.5V26 I28 V49 I84V26-A51 PolarHBondContact O-N 3.03Å; I28-A51 PolarHBondContact N-O 3.08Å; V49-A51 PolarHBondContact O-N 3.27Å; A51-I84 HydrophobicContact CB-CD1 4.32Å; A51-I84 HydrophobicContact CB-CG1 4.06Å
52S93.6Very high90.5Very high22 Ų2243.3 Ų43.315%0.15425%0.249CC..  trans-110.2155.7158.555.30000109.2E80S52-E80 VanDerWaalsContact C-OE1 3.23Å; S52-E80 VanDerWaalsContact CB-OE1 3.31Å; S52-E80 WeakPolarHBondContact CB-OE1 3.13Å; S52-E80 VanDerWaalsContact O-CD 3.25Å; S52-E80 VanDerWaalsContact O-CG 3.32Å; S52-E80 WeakPolarHBondContact O-CG 3.3Å; S52-E80 PolarHBondContact OG-OE1 2.97Å
53I91.9Very high90.7Very high0 Ų043.3 Ų43.30%025%0.249CC..BIsolated β-bridgetrans-126.1119.1174.4-64.4-179.5000107.1G55 C56 I59 M62 C63 V72 P73 T76I53-G55 PolarHBondContact O-N 3.06Å; I53-C56 PolarHBondContact N-O 3.02Å; I53-C56 WeakPolarHBondContact O-CB 3.34Å; I53-C56 PolarHBondContact O-N 2.66Å; I53-I59 HydrophobicContact CB-CG2 4.22Å; I53-I59 HydrophobicContact CD1-CB 4.04Å; I53-I59 HydrophobicContact CD1-CG2 4.11Å; I53-I59 HydrophobicContact CG1-CB 4.33Å; I53-I59 HydrophobicContact CG1-CG2 3.83Å; I53-M62 HydrophobicContact CB-CB 4.24Å; I53-M62 HydrophobicContact CG2-CB 3.85Å; I53-C63 HydrophobicContact CD1-CB 3.56Å; I53-V72 HydrophobicContact CD1-CG1 4.46Å; I53-P73 HydrophobicContact CG2-CG 3.63Å; I53-T76 HydrophobicContact CG2-CG2 4.43Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.3Å
54A89.9Confident91.3Very high24 Ų2439.6 Ų39.620%0.19822%0.224CC..THydrogen-bonded Turntrans57.137.6-177.200000113.1C56 M62 N75 E80A54-C56 PolarHBondContact O-N 2.95Å; A54-C56 VanDerWaalsContact O-N 3.12Å; A54-M62 HydrophobicContact CB-CE 4.46Å; A54-N75 HydrophobicContact CB-CB 3.95Å; A54-N75 WeakPolarHBondContact CB-ND2 3.24Å; A54-N75 WeakPolarHBondContact CB-O 3.46Å; A54-N75 VanDerWaalsContact CB-OD1 3.23Å; A54-N75 WeakPolarHBondContact CB-OD1 3.42Å; A54-E80 PolarHBondContact N-OE1 3.06Å; A54-E80 PolarHBondContact N-OE2 3.16Å
55G88.4Confident91.9Very high64 Ų6430.9 Ų30.966%0.6618%0.184SC*.THydrogen-bonded Turntrans66.97.1-175.700000114.4I53 E80I53-G55 PolarHBondContact O-N 3.06Å; G55-E80 PolarHBondContact N-OE1 3.07Å
56C90.3Very high92.3Very high50 Ų5026.8 Ų26.834%0.33816%0.159SC..BIsolated β-bridgetrans-99.7148.9-179.6-640000111.4I53 A54 I58I53-C56 PolarHBondContact N-O 3.02Å; I53-C56 WeakPolarHBondContact O-CB 3.34Å; I53-C56 PolarHBondContact O-N 2.66Å; A54-C56 PolarHBondContact O-N 2.95Å; A54-C56 VanDerWaalsContact O-N 3.12Å; C56-I58 HydrophobicContact CB-CG1 3.9Å
57R91.4Very high92.4Very high117 Ų11730.9 Ų30.944%0.44217%0.174SC..SBendtrans-84.6-12.2174.1-64.2-176-72.5162.54.4113.1E8 A27 I28 I59E8-R57 VanDerWaalsContact CD-NH1 3.32Å; E8-R57 IonicContact OE1-NH1 2.95Å; E8-R57 PolarHBondContact OE1-NH1 3.44Å; E8-R57 IonicContact OE2-CZ 3.43Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.05Å; E8-R57 IonicContact OE2-NH2 2.82Å; A27-R57 HydrophobicContact CB-CB 4.33Å; A27-R57 WeakPolarHBondContact CB-O 3.25Å; I28-R57 WeakPolarHBondContact O-CD 3.47Å; R57-I59 PolarHBondContact O-N 3.38Å
58I92.2Very high92.4Very high70 Ų7030.7 Ų30.736%0.35917%0.169SC..  trans-84.152.5-176.551.6160.7000112.7C15 F16 C56 G60 R61 M62C15-I58 CarbonylContact O-C 3.03Å; C15-I58 WeakPolarHBondContact O-CA 3.42Å; F16-I58 HydrophobicContact CE1-CG2 4.2Å; C56-I58 HydrophobicContact CB-CG1 3.9Å; I58-G60 VanDerWaalsContact C-N 3.29Å; I58-G60 PolarHBondContact O-N 3.09Å; I58-R61 PolarHBondContact O-N 2.84Å; I58-M62 HydrophobicContact CD1-CG 4.13Å; I58-M62 HydrophobicContact CD1-SD 4.21Å; I58-M62 HydrophobicContact CG1-CG 3.96Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.3Å; I58-M62 PolarHBondContact O-N 3.37Å; I58-M62 VanDerWaalsContact O-N 3.15Å
59I92.9Very high92.5Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-60.3-36.1-171.856.9157.4000113.1C15 F16 L25 V26 A27 I53 R57 R61 M62 C63C15-I59 PolarHBondContact O-N 2.96Å; F16-I59 WeakPolarHBondContact O-CD1 3.36Å; F16-I59 WeakPolarHBondContact O-CG1 3.42Å; L25-I59 HydrophobicContact CB-CD1 3.62Å; L25-I59 VanDerWaalsContact O-CD1 3.29Å; L25-I59 WeakPolarHBondContact O-CD1 3.39Å; V26-I59 VanDerWaalsContact CA-CD1 3.46Å; V26-I59 VanDerWaalsContact N-CD1 3.33Å; A27-I59 HydrophobicContact CB-CG1 4.25Å; A27-I59 VanDerWaalsContact N-CD1 3.33Å; I53-I59 HydrophobicContact CB-CG2 4.22Å; I53-I59 HydrophobicContact CD1-CB 4.04Å; I53-I59 HydrophobicContact CD1-CG2 4.11Å; I53-I59 HydrophobicContact CG1-CB 4.33Å; I53-I59 HydrophobicContact CG1-CG2 3.83Å; R57-I59 PolarHBondContact O-N 3.38Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.16Å; I59-M62 PolarHBondContact O-N 3.49Å; I59-M62 VanDerWaalsContact O-N 3.13Å; I59-C63 PolarHBondContact O-N 2.94Å; I59-C63 PolarHBondContact O-SG 2.78Å
60G91Very high92.6Very high4 Ų429.1 Ų29.14%0.04116%0.159CC..Hα-helixtrans-67.9-27.7-175.600000112.9G14 C15 A17 I58G14-G60 CarbonylContact O-C 3.56Å; G14-G60 WeakPolarHBondContact O-CA 3.36Å; C15-G60 PolarHBondContact O-N 2.79Å; A17-G60 WeakPolarHBondContact O-CA 3.29Å; I58-G60 VanDerWaalsContact C-N 3.29Å; I58-G60 PolarHBondContact O-N 3.09Å
61R92.6Very high92.6Very high24 Ų2426.2 Ų26.29%0.09115%0.146CC..Hα-helixtrans-85.2-30.2172.1-58.2-42.3-161.9129.4-0.5113.3C15 I58 I59 A103 G105 N106 S150C15-R61 HydrophobicContact CB-CG 4.24Å; C15-R61 PolarHBondContact SG-NE 2.75Å; I58-R61 PolarHBondContact O-N 2.84Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.16Å; R61-A103 VanDerWaalsContact O-CB 3.29Å; R61-A103 WeakPolarHBondContact O-CB 3.45Å; R61-G105 WeakPolarHBondContact O-CA 3.47Å; R61-G105 PolarHBondContact O-N 2.98Å; R61-N106 WeakPolarHBondContact CD-OD1 3.27Å; R61-N106 PolarHBondContact NH1-OD1 3.35Å; R61-S150 PolarHBondContact NH1-OG 2.92Å
62M93Very high92.7Very high25 Ų2526.1 Ų26.112%0.12315%0.145CC..Hα-helixtrans-80.2-28.8-176.2-67-60.3-78.600112.7I53 A54 I58 I59 P73 A103I53-M62 HydrophobicContact CB-CB 4.24Å; I53-M62 HydrophobicContact CG2-CB 3.85Å; A54-M62 HydrophobicContact CB-CE 4.46Å; I58-M62 HydrophobicContact CD1-CG 4.13Å; I58-M62 HydrophobicContact CD1-SD 4.21Å; I58-M62 HydrophobicContact CG1-CG 3.96Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.3Å; I58-M62 PolarHBondContact O-N 3.37Å; I58-M62 VanDerWaalsContact O-N 3.15Å; I59-M62 PolarHBondContact O-N 3.49Å; I59-M62 VanDerWaalsContact O-N 3.13Å; M62-P73 HydrophobicContact CB-CG 4.37Å; M62-P73 HydrophobicContact CE-CB 4.49Å; M62-P73 HydrophobicContact CE-CG 3.88Å; M62-P73 WeakPolarHBondContact O-CD 3.29Å; M62-A103 HydrophobicContact SD-CB 3.93Å
63C93.1Very high92.7Very high0 Ų025.9 Ų25.90%014%0.143CC..  trans-117.9158.1-179.172.10000113.7I53 I59 L70 L71I53-C63 HydrophobicContact CD1-CB 3.56Å; I59-C63 PolarHBondContact O-N 2.94Å; I59-C63 PolarHBondContact O-SG 2.78Å; C63-L70 HydrophobicContact CB-CD1 4.07Å; C63-L71 WeakPolarHBondContact CA-O 3.44Å; C63-L71 WeakPolarHBondContact CB-O 3.31Å
64V94.2Very high92.6Very high0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-137.1146170.566.30000109L71 L104 I108 C110V64-L71 HydrophobicContact CG1-CB 3.83Å; V64-L71 HydrophobicContact CG1-CD1 3.96Å; V64-L71 HydrophobicContact CG1-CG 4.27Å; V64-L71 PolarHBondContact N-O 2.84Å; V64-L71 PolarHBondContact O-N 2.96Å; V64-L104 HydrophobicContact CG1-CB 4.18Å; V64-I108 HydrophobicContact CB-CB 4.42Å; V64-I108 HydrophobicContact CB-CG2 4.37Å; V64-I108 HydrophobicContact CG1-CB 4.19Å; V64-I108 HydrophobicContact CG1-CD1 3.91Å; V64-I108 HydrophobicContact CG1-CG2 4.14Å; V64-I108 HydrophobicContact CG2-CB 4.07Å; V64-I108 HydrophobicContact CG2-CG2 3.62Å; V64-C110 WeakPolarHBondContact CG2-SG 3.34Å
65G93.6Very high92.7Very high5 Ų533.5 Ų33.55%0.05218%0.18CC..EExtended strand (participates in β ladder)trans-173.3161.8-177.200000111.7T20 G69T20-G65 WeakPolarHBondContact CG2-O 3.47Å; G65-G69 CarbonylContact C-O 3.28Å; G65-G69 WeakPolarHBondContact CA-O 3.29Å
66N94.2Very high92.9Very high3 Ų330.6 Ų30.62%0.01615%0.15CC..  trans-133.2-166.1176.672-4.5000108.3Y23 H68 G69 N111 L133 V135Y23-N66 VanDerWaalsContact CE1-O 3.28Å; Y23-N66 WeakPolarHBondContact CE1-O 3.47Å; Y23-N66 PolarHBondContact OH-O 3.37Å; N66-H68 PolarHBondContact O-N 3.01Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.45Å; N66-H68 WeakPolarHBondContact OD1-CB 3.24Å; N66-H68 PolarHBondContact OD1-N 3.02Å; N66-G69 PolarHBondContact N-O 2.95Å; N66-G69 PolarHBondContact OD1-N 3.17Å; N66-N111 WeakPolarHBondContact CB-O 3.43Å; N66-N111 PolarHBondContact ND2-O 2.92Å; N66-L133 PolarHBondContact ND2-O 3.29Å; N66-V135 VanDerWaalsContact ND2-CG1 3.34Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.35Å
67R92.9Very high93.1Very high95 Ų9531.4 Ų31.436%0.35815%0.153SC..SBendtrans-64.1-18.4179.676-179.9-173178.22.9115.3N21 T22 D112N21-R67 HydrophobicContact CB-CB 4.31Å; T22-R67 HydrophobicContact CG2-CB 3.69Å; T22-R67 VanDerWaalsContact OG1-CA 3.31Å; T22-R67 WeakPolarHBondContact OG1-CA 3.42Å; T22-R67 PolarHBondContact OG1-O 3.11Å; R67-D112 WeakPolarHBondContact CB-OD1 3.36Å; R67-D112 WeakPolarHBondContact CD-OD2 3.42Å; R67-D112 HydrophobicContact CG-CB 4.32Å; R67-D112 VanDerWaalsContact CG-OD1 3.29Å; R67-D112 WeakPolarHBondContact CG-OD1 3.13Å; R67-D112 PolarHBondContact N-OD1 3.47Å
68H93.4Very high93.1Very high44 Ų4431.3 Ų31.320%0.20416%0.162CC..SBendtrans-99.1-29.3-171.8-66.1-52.2000113.2N66 V92 K93 L133 K134N66-H68 PolarHBondContact O-N 3.01Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.45Å; N66-H68 WeakPolarHBondContact OD1-CB 3.24Å; N66-H68 PolarHBondContact OD1-N 3.02Å; H68-V92 WeakPolarHBondContact O-CA 3.45Å; H68-K93 PolarHBondContact O-N 3.35Å; H68-L133 WeakPolarHBondContact CB-O 3.29Å; H68-L133 PolarHBondContact CD2-O 3.49Å; H68-K134 HydrophobicContact CB-CD 4.47Å
69G93.8Very high93.2Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-160.5162.3-175.300000114.2Y23 G65 N66 K93 L133Y23-G69 PolarHBondContact OH-O 3.43Å; G65-G69 CarbonylContact C-O 3.28Å; G65-G69 WeakPolarHBondContact CA-O 3.29Å; N66-G69 PolarHBondContact N-O 2.95Å; N66-G69 PolarHBondContact OD1-N 3.17Å; G69-K93 CarbonylContact C-O 3.58Å; G69-K93 WeakPolarHBondContact CA-O 3.42Å; G69-L133 VanDerWaalsContact C-CD2 3.45Å; G69-L133 WeakPolarHBondContact O-CD2 3.47Å
70L95.2Very high93.2Very high0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-128.2121.2175.7-179.171.1000109Y23 L25 C63 V72 I84 L88 V92 K93 I94 Q95Y23-L70 HydrophobicContact CE2-CD1 4.04Å; Y23-L70 WeakPolarHBondContact OH-CB 3.43Å; L25-L70 HydrophobicContact CD1-CD1 3.78Å; L25-L70 HydrophobicContact CD1-CD2 3.78Å; L25-L70 HydrophobicContact CD1-CG 4.45Å; C63-L70 HydrophobicContact CB-CD1 4.07Å; L70-V72 HydrophobicContact CD2-CG1 4Å; L70-V72 HydrophobicContact CG-CG1 4.04Å; L70-I84 HydrophobicContact CD2-CG2 3.7Å; L70-L88 HydrophobicContact CD2-CD2 4.14Å; L70-V92 HydrophobicContact CB-CG1 4.3Å; L70-K93 PolarHBondContact N-O 3.1Å; L70-I94 HydrophobicContact CB-CG1 4.31Å; L70-I94 WeakPolarHBondContact O-CA 3.13Å; L70-Q95 PolarHBondContact O-N 3.17Å
71L94.2Very high93.3Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-95.7126.1172.2-57.2-178.2000109.4C63 V64 Q95 V97 L104 L129 L133C63-L71 WeakPolarHBondContact CA-O 3.44Å; C63-L71 WeakPolarHBondContact CB-O 3.31Å; V64-L71 HydrophobicContact CG1-CB 3.83Å; V64-L71 HydrophobicContact CG1-CD1 3.96Å; V64-L71 HydrophobicContact CG1-CG 4.27Å; V64-L71 PolarHBondContact N-O 2.84Å; V64-L71 PolarHBondContact O-N 2.96Å; L71-Q95 WeakPolarHBondContact CA-O 3.39Å; L71-Q95 HydrophobicContact CD2-CB 3.95Å; L71-V97 HydrophobicContact CB-CG2 4.26Å; L71-V97 HydrophobicContact CD1-CG2 4.35Å; L71-V97 HydrophobicContact CD2-CG2 3.89Å; L71-V97 HydrophobicContact CG-CG2 4.39Å; L71-L104 HydrophobicContact CB-CD1 4.21Å; L71-L129 HydrophobicContact CD1-CB 4.08Å; L71-L129 HydrophobicContact CD1-CD1 3.87Å; L71-L129 HydrophobicContact CD1-CG 3.88Å; L71-L133 HydrophobicContact CD1-CD1 4.22Å; L71-L133 HydrophobicContact CD1-CG 4.38Å; L71-L133 HydrophobicContact CG-CD2 4.35Å; L71-L133 HydrophobicContact CG-CG 4.43Å
72V94.2Very high93.3Very high1 Ų140.5 Ų40.51%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-120.2149.8177.3-63.20000109.9I53 L70 L81 I94 Q95 R96 V97I53-V72 HydrophobicContact CD1-CG1 4.46Å; L70-V72 HydrophobicContact CD2-CG1 4Å; L70-V72 HydrophobicContact CG-CG1 4.04Å; V72-L81 HydrophobicContact CG2-CD1 4.28Å; V72-I94 HydrophobicContact CG2-CG2 4.35Å; V72-Q95 PolarHBondContact N-O 3.26Å; V72-R96 HydrophobicContact CG2-CG 3.81Å; V72-R96 CarbonylContact O-C 2.92Å; V72-R96 VanDerWaalsContact O-CA 3.3Å; V72-R96 WeakPolarHBondContact O-CA 3.15Å; V72-V97 PolarHBondContact O-N 3.17Å
73P93.7Very high93.3Very high16 Ų1643.1 Ų43.110%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-72154.9-179.529-33.1000111.1I53 M62 N75 T76 L104I53-P73 HydrophobicContact CG2-CG 3.63Å; M62-P73 HydrophobicContact CB-CG 4.37Å; M62-P73 HydrophobicContact CE-CB 4.49Å; M62-P73 HydrophobicContact CE-CG 3.88Å; M62-P73 WeakPolarHBondContact O-CD 3.29Å; P73-N75 WeakPolarHBondContact CB-OD1 3.41Å; P73-N75 WeakPolarHBondContact CG-OD1 3.44Å; P73-N75 PolarHBondContact O-N 3.49Å; P73-N75 VanDerWaalsContact O-N 3.14Å; P73-T76 WeakPolarHBondContact CD-OG1 3.34Å; P73-T76 VanDerWaalsContact O-CB 3.3Å; P73-T76 WeakPolarHBondContact O-CB 3.4Å; P73-T76 PolarHBondContact O-N 3.02Å; P73-T76 PolarHBondContact O-OG1 3.36Å; P73-L104 HydrophobicContact CB-CD1 4.43Å
74N90.9Very high93.3Very high91 Ų9143.1 Ų43.149%0.48722%0.215SC..THydrogen-bonded Turntrans-61.3-23.5-176.3-165.931.1000114.2T76 V97 E98N74-T76 PolarHBondContact O-N 2.93Å; N74-V97 PolarHBondContact N-O 3.01Å; N74-E98 HydrophobicContact CB-CB 4.36Å
75N91.1Very high93.1Very high93 Ų9349.2 Ų49.250%0.49724%0.238SC..THydrogen-bonded Turntrans-75.7-2.5176.161.6-5.6000114.2A54 P73 T77A54-N75 HydrophobicContact CB-CB 3.95Å; A54-N75 WeakPolarHBondContact CB-ND2 3.24Å; A54-N75 WeakPolarHBondContact CB-O 3.46Å; A54-N75 VanDerWaalsContact CB-OD1 3.23Å; A54-N75 WeakPolarHBondContact CB-OD1 3.42Å; P73-N75 WeakPolarHBondContact CB-OD1 3.41Å; P73-N75 WeakPolarHBondContact CG-OD1 3.44Å; P73-N75 PolarHBondContact O-N 3.49Å; P73-N75 VanDerWaalsContact O-N 3.14Å; N75-T77 PolarHBondContact O-N 3.1Å
76T92.8Very high93.1Very high4 Ų454.5 Ų54.53%0.02527%0.265CS..  trans-66.5127.1176.9-52.30000110.5I53 P73 N74 E80 R96I53-T76 HydrophobicContact CG2-CG2 4.43Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.3Å; P73-T76 WeakPolarHBondContact CD-OG1 3.34Å; P73-T76 VanDerWaalsContact O-CB 3.3Å; P73-T76 WeakPolarHBondContact O-CB 3.4Å; P73-T76 PolarHBondContact O-N 3.02Å; P73-T76 PolarHBondContact O-OG1 3.36Å; N74-T76 PolarHBondContact O-N 2.93Å; T76-E80 HydrophobicContact CG2-CB 3.93Å; T76-R96 PolarHBondContact O-NE 2.78Å; T76-R96 PolarHBondContact O-NH2 2.84Å
77T94.1Very high92.9Very high66 Ų6656.8 Ų56.841%0.40528%0.281SS..  trans-68.6156.5-177.9660000111.9N75 Q79 E80 L81 R96N75-T77 PolarHBondContact O-N 3.1Å; T77-Q79 PolarHBondContact O-N 3Å; T77-E80 PolarHBondContact N-OE2 2.94Å; T77-E80 PolarHBondContact O-N 2.81Å; T77-E80 WeakPolarHBondContact OG1-CB 3.28Å; T77-E80 VanDerWaalsContact OG1-CD 3.24Å; T77-E80 WeakPolarHBondContact OG1-CG 3.04Å; T77-E80 PolarHBondContact OG1-N 3Å; T77-E80 PolarHBondContact OG1-OE2 3.31Å; T77-L81 WeakPolarHBondContact O-CB 3.45Å; T77-L81 PolarHBondContact O-N 2.96Å; T77-R96 VanDerWaalsContact C-NH2 3.33Å; T77-R96 PolarHBondContact O-NH2 3.3Å
78D92.2Very high92.8Very high116 Ų11652.9 Ų52.962%0.6227%0.267SS*.Hα-helixtrans-65.6-29.8177.4-63.9-34.4000112.5L81 Q82 R96D78-L81 PolarHBondContact O-N 3.19Å; D78-Q82 WeakPolarHBondContact O-CB 3.41Å; D78-Q82 PolarHBondContact O-N 3.38Å; D78-R96 IonicContact OD1-CZ 3.44Å; D78-R96 IonicContact OD1-NH1 3.81Å; D78-R96 PolarHBondContact OD1-NH1 3.49Å; D78-R96 IonicContact OD1-NH2 3.17Å; D78-R96 PolarHBondContact OD1-NH2 3.29Å
79Q93.4Very high92.6Very high168 Ų16853.1 Ų53.179%0.78527%0.272SS*.Hα-helixtrans-67-47.2175.6-68.2-176.5-5.800111.6T77 L81 Q82 H83T77-Q79 PolarHBondContact O-N 3Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 3.24Å; Q79-Q82 PolarHBondContact O-N 3.06Å; Q79-H83 WeakPolarHBondContact O-CB 3.39Å; Q79-H83 PolarHBondContact O-N 3.15Å
80E93.6Very high92.2Very high19 Ų1961.2 Ų61.29%0.08932%0.316CS..Hα-helixtrans-60-44.3175.1-72.5166.3149.100110.8S52 A54 G55 T76 T77 H83 I84S52-E80 VanDerWaalsContact C-OE1 3.23Å; S52-E80 VanDerWaalsContact CB-OE1 3.31Å; S52-E80 WeakPolarHBondContact CB-OE1 3.13Å; S52-E80 VanDerWaalsContact O-CD 3.25Å; S52-E80 VanDerWaalsContact O-CG 3.32Å; S52-E80 WeakPolarHBondContact O-CG 3.3Å; S52-E80 PolarHBondContact OG-OE1 2.97Å; A54-E80 PolarHBondContact N-OE1 3.06Å; A54-E80 PolarHBondContact N-OE2 3.16Å; G55-E80 PolarHBondContact N-OE1 3.07Å; T76-E80 HydrophobicContact CG2-CB 3.93Å; T77-E80 PolarHBondContact N-OE2 2.94Å; T77-E80 PolarHBondContact O-N 2.81Å; T77-E80 WeakPolarHBondContact OG1-CB 3.28Å; T77-E80 VanDerWaalsContact OG1-CD 3.24Å; T77-E80 WeakPolarHBondContact OG1-CG 3.04Å; T77-E80 PolarHBondContact OG1-N 3Å; T77-E80 PolarHBondContact OG1-OE2 3.31Å; E80-H83 WeakPolarHBondContact O-CB 3.37Å; E80-H83 PolarHBondContact O-N 3.17Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.45Å; E80-I84 PolarHBondContact O-N 2.96Å
81L92.3Very high92Very high8 Ų866.4 Ų66.44%0.04235%0.347CS..Hα-helixtrans-66.3-42-178.6-157.5158.3000111.5V72 T77 D78 Q79 H83 I84 R85 I94 R96V72-L81 HydrophobicContact CG2-CD1 4.28Å; T77-L81 WeakPolarHBondContact O-CB 3.45Å; T77-L81 PolarHBondContact O-N 2.96Å; D78-L81 PolarHBondContact O-N 3.19Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 3.24Å; L81-H83 VanDerWaalsContact C-N 3.33Å; L81-H83 PolarHBondContact O-N 2.97Å; L81-I84 PolarHBondContact O-N 3.33Å; L81-R85 HydrophobicContact CD2-CG 3.97Å; L81-R85 WeakPolarHBondContact O-CB 3.31Å; L81-R85 WeakPolarHBondContact O-CG 3.44Å; L81-R85 PolarHBondContact O-N 2.96Å; L81-I94 HydrophobicContact CD2-CG2 4.33Å; L81-I94 HydrophobicContact CG-CG2 4.28Å; L81-R96 HydrophobicContact CD1-CG 3.79Å
82Q93.1Very high91.9Very high95 Ų9567 Ų6744%0.44435%0.351SS..Hα-helixtrans-63.6-40.1175.3-171.262.838.800111.9D78 Q79 R85 N86D78-Q82 WeakPolarHBondContact O-CB 3.41Å; D78-Q82 PolarHBondContact O-N 3.38Å; Q79-Q82 PolarHBondContact O-N 3.06Å; Q82-R85 PolarHBondContact O-N 2.87Å; Q82-N86 PolarHBondContact NE2-OD1 3.02Å; Q82-N86 PolarHBondContact O-N 3.45Å; Q82-N86 PolarHBondContact O-ND2 3.09Å; Q82-N86 PolarHBondContact O-OD1 2.89Å
83H93.1Very high91.8Very high80 Ų8071.8 Ų71.837%0.3737%0.372SS..Hα-helixtrans-60.3-50175.5178.366.7000111.6H50 Q79 E80 L81 R85 N86 C87H50-H83 PolarHBondContact O-CD2 2.95Å; H50-H83 PolarHBondContact O-NE2 2.71Å; Q79-H83 WeakPolarHBondContact O-CB 3.39Å; Q79-H83 PolarHBondContact O-N 3.15Å; E80-H83 WeakPolarHBondContact O-CB 3.37Å; E80-H83 PolarHBondContact O-N 3.17Å; L81-H83 VanDerWaalsContact C-N 3.33Å; L81-H83 PolarHBondContact O-N 2.97Å; H83-R85 VanDerWaalsContact C-N 3.34Å; H83-R85 PolarHBondContact O-N 3.13Å; H83-N86 PolarHBondContact O-N 2.78Å; H83-C87 PolarHBondContact O-N 2.98Å; H83-C87 PolarHBondContact O-SG 3Å
84I92.6Very high91.8Very high1 Ų171.9 Ų71.91%0.00537%0.371CS..Hα-helixtrans-60.4-44.2177.4-63.3168.4000110.3A51 L70 E80 L81 N86 C87 L88 I94A51-I84 HydrophobicContact CB-CD1 4.32Å; A51-I84 HydrophobicContact CB-CG1 4.06Å; L70-I84 HydrophobicContact CD2-CG2 3.7Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.45Å; E80-I84 PolarHBondContact O-N 2.96Å; L81-I84 PolarHBondContact O-N 3.33Å; I84-N86 VanDerWaalsContact C-N 3.3Å; I84-N86 PolarHBondContact O-N 2.82Å; I84-C87 PolarHBondContact O-N 3.04Å; I84-L88 HydrophobicContact CG2-CD1 3.65Å; I84-L88 HydrophobicContact CG2-CD2 3.92Å; I84-L88 HydrophobicContact CG2-CG 4.33Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 WeakPolarHBondContact O-CD1 3.45Å; I84-L88 PolarHBondContact O-N 3.23Å; I84-I94 HydrophobicContact CB-CD1 4.35Å; I84-I94 HydrophobicContact CG2-CD1 3.6Å
85R91.6Very high91.9Very high128 Ų12871 Ų7148%0.48336%0.364SS..Hα-helixtrans-58.5-38.3176.2-82.6-179.5179.6151.74113.6L81 Q82 H83 C87 I94L81-R85 HydrophobicContact CD2-CG 3.97Å; L81-R85 WeakPolarHBondContact O-CB 3.31Å; L81-R85 WeakPolarHBondContact O-CG 3.44Å; L81-R85 PolarHBondContact O-N 2.96Å; Q82-R85 PolarHBondContact O-N 2.87Å; H83-R85 VanDerWaalsContact C-N 3.34Å; H83-R85 PolarHBondContact O-N 3.13Å; R85-C87 VanDerWaalsContact C-N 3.32Å; R85-I94 HydrophobicContact CB-CD1 4.38Å; R85-I94 HydrophobicContact CG-CD1 3.66Å
86N92.8Very high92Very high115 Ų11569.9 Ų69.962%0.61535%0.353SS*.Hα-helixtrans-74-26.2-178.7-67.3-15.4000112.6Q82 H83 I84Q82-N86 PolarHBondContact NE2-OD1 3.02Å; Q82-N86 PolarHBondContact O-N 3.45Å; Q82-N86 PolarHBondContact O-ND2 3.09Å; Q82-N86 PolarHBondContact O-OD1 2.89Å; H83-N86 PolarHBondContact O-N 2.78Å; I84-N86 VanDerWaalsContact C-N 3.3Å; I84-N86 PolarHBondContact O-N 2.82Å
87C90.9Very high91.9Very high52 Ų5269.8 Ų69.835%0.35135%0.352SS..Hα-helixtrans-96.7-23.3-177.1-64.50000113.6V49 H83 I84 R85V49-C87 HydrophobicContact CB-CB 4.26Å; V49-C87 HydrophobicContact CG1-CB 3.62Å; V49-C87 HydrophobicContact CG2-CB 3.58Å; H83-C87 PolarHBondContact O-N 2.98Å; H83-C87 PolarHBondContact O-SG 3Å; I84-C87 PolarHBondContact O-N 3.04Å; R85-C87 VanDerWaalsContact C-N 3.32Å
88L90.4Very high91.5Very high12 Ų1271.6 Ų71.66%0.06336%0.356CS..SBendtrans-84.7151.9179.2-92.764.8000111.4Y23 L25 V49 L70 I84 V92 I94Y23-L88 HydrophobicContact CD1-CD2 4.09Å; Y23-L88 HydrophobicContact CD1-CG 4.38Å; Y23-L88 HydrophobicContact CD2-CD2 4.18Å; Y23-L88 HydrophobicContact CE1-CD2 4.25Å; Y23-L88 HydrophobicContact CE2-CD2 4.32Å; Y23-L88 HydrophobicContact CG-CD2 4.07Å; Y23-L88 HydrophobicContact CG-CG 4.14Å; L25-L88 HydrophobicContact CD2-CD1 4.02Å; V49-L88 HydrophobicContact CG2-CD1 3.94Å; L70-L88 HydrophobicContact CD2-CD2 4.14Å; I84-L88 HydrophobicContact CG2-CD1 3.65Å; I84-L88 HydrophobicContact CG2-CD2 3.92Å; I84-L88 HydrophobicContact CG2-CG 4.33Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 WeakPolarHBondContact O-CD1 3.45Å; I84-L88 PolarHBondContact O-N 3.23Å; L88-V92 HydrophobicContact CD2-CB 4.25Å; L88-V92 HydrophobicContact CD2-CG1 3.9Å; L88-I94 HydrophobicContact CD2-CD1 4.09Å; L88-I94 HydrophobicContact CD2-CG1 4.41Å
89P88.8Confident91Very high49 Ų4967.5 Ų67.532%0.31833%0.333SS..  trans-60.8144.1170.8-19.831.7000111.7T91 V92P89-T91 PolarHBondContact O-N 3.26Å; P89-V92 PolarHBondContact O-N 3.2Å
90D86.2Confident90.3Very high171 Ų17169.2 Ų69.291%0.91433%0.333SS*.THydrogen-bonded Turntrans-58.8-16.9179.1-67.2-34.7000113.9V92D90-V92 PolarHBondContact O-N 3.28Å
91T89.8Confident89.6Confident108 Ų10872.4 Ų72.466%0.66335%0.35SS*.THydrogen-bonded Turntrans-70.4-21176.355.80000113.1P89P89-T91 PolarHBondContact O-N 3.26Å
92V92.3Very high89.4Confident13 Ų1374.3 Ų74.38%0.07936%0.364CS..SBendtrans-89.9116.1-174.6-173.70000110.1Y23 H68 L70 L88 P89 D90 I94Y23-V92 HydrophobicContact CD1-CG1 4.22Å; Y23-V92 HydrophobicContact CD1-CG2 3.76Å; Y23-V92 HydrophobicContact CE1-CB 4.34Å; Y23-V92 HydrophobicContact CE1-CG1 3.56Å; Y23-V92 HydrophobicContact CE1-CG2 3.82Å; H68-V92 WeakPolarHBondContact O-CA 3.45Å; L70-V92 HydrophobicContact CB-CG1 4.3Å; L88-V92 HydrophobicContact CD2-CB 4.25Å; L88-V92 HydrophobicContact CD2-CG1 3.9Å; P89-V92 PolarHBondContact O-N 3.2Å; D90-V92 PolarHBondContact O-N 3.28Å; V92-I94 PolarHBondContact O-N 3.17Å
93K92.6Very high89.2Confident103 Ų10371 Ų7145%0.44835%0.352SS..EExtended strand (participates in β ladder)trans-80.1116.4176.3-171.2-177.8175.9-164.80110.5H68 G69 L70H68-K93 PolarHBondContact O-N 3.35Å; G69-K93 CarbonylContact C-O 3.58Å; G69-K93 WeakPolarHBondContact CA-O 3.42Å; L70-K93 PolarHBondContact N-O 3.1Å
94I93.4Very high89.1Confident17 Ų1767.3 Ų67.39%0.08734%0.335CS..EExtended strand (participates in β ladder)trans-97.2120.3176.7-54.9175.2000109.6L70 V72 L81 I84 R85 L88 V92L70-I94 HydrophobicContact CB-CG1 4.31Å; L70-I94 WeakPolarHBondContact O-CA 3.13Å; V72-I94 HydrophobicContact CG2-CG2 4.35Å; L81-I94 HydrophobicContact CD2-CG2 4.33Å; L81-I94 HydrophobicContact CG-CG2 4.28Å; I84-I94 HydrophobicContact CB-CD1 4.35Å; I84-I94 HydrophobicContact CG2-CD1 3.6Å; R85-I94 HydrophobicContact CB-CD1 4.38Å; R85-I94 HydrophobicContact CG-CD1 3.66Å; L88-I94 HydrophobicContact CD2-CD1 4.09Å; L88-I94 HydrophobicContact CD2-CG1 4.41Å; V92-I94 PolarHBondContact O-N 3.17Å
95Q92.6Very high89Confident74 Ų7467.4 Ų67.435%0.34634%0.337SS..EExtended strand (participates in β ladder)trans-129.5136-177.1-172.464.725.100111.2L70 L71 V72 I128L70-Q95 PolarHBondContact O-N 3.17Å; L71-Q95 WeakPolarHBondContact CA-O 3.39Å; L71-Q95 HydrophobicContact CD2-CB 3.95Å; V72-Q95 PolarHBondContact N-O 3.26Å; Q95-I128 HydrophobicContact CG-CG2 3.87Å
96R93.3Very high89.1Confident68 Ų6862.7 Ų62.726%0.25732%0.321SS..EExtended strand (participates in β ladder)trans-81.9136.4169.1-77.4179.6178.7150.77.9109.9V72 T76 T77 D78 L81V72-R96 HydrophobicContact CG2-CG 3.81Å; V72-R96 CarbonylContact O-C 2.92Å; V72-R96 VanDerWaalsContact O-CA 3.3Å; V72-R96 WeakPolarHBondContact O-CA 3.15Å; T76-R96 PolarHBondContact O-NE 2.78Å; T76-R96 PolarHBondContact O-NH2 2.84Å; T77-R96 VanDerWaalsContact C-NH2 3.33Å; T77-R96 PolarHBondContact O-NH2 3.3Å; D78-R96 IonicContact OD1-CZ 3.44Å; D78-R96 IonicContact OD1-NH1 3.81Å; D78-R96 PolarHBondContact OD1-NH1 3.49Å; D78-R96 IonicContact OD1-NH2 3.17Å; D78-R96 PolarHBondContact OD1-NH2 3.29Å; L81-R96 HydrophobicContact CD1-CG 3.79Å
97V90.4Very high89.1Confident2 Ų257.2 Ų57.21%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-124.8133.8177.2179.80000108.9L71 V72 N74 E99 L104 T125 I128L71-V97 HydrophobicContact CB-CG2 4.26Å; L71-V97 HydrophobicContact CD1-CG2 4.35Å; L71-V97 HydrophobicContact CD2-CG2 3.89Å; L71-V97 HydrophobicContact CG-CG2 4.39Å; V72-V97 PolarHBondContact O-N 3.17Å; N74-V97 PolarHBondContact N-O 3.01Å; V97-E99 HydrophobicContact CG1-CB 4.49Å; V97-L104 HydrophobicContact CB-CD1 4.31Å; V97-L104 HydrophobicContact CB-CD2 4.34Å; V97-L104 HydrophobicContact CG1-CD2 4.11Å; V97-T125 HydrophobicContact CG1-CG2 3.59Å; V97-I128 HydrophobicContact CG2-CG2 3.89Å
98E85.6Confident89.2Confident105 Ų10554.8 Ų54.849%0.49128%0.275SS..  trans-92.3113.7167.9-174178.4159.200108N74 R100N74-E98 HydrophobicContact CB-CB 4.36Å; E98-R100 IonicContact OE1-CZ 3.52Å; E98-R100 IonicContact OE1-NE 2.81Å; E98-R100 PolarHBondContact OE1-NE 2.9Å; E98-R100 VanDerWaalsContact OE1-NE 3.17Å; E98-R100 IonicContact OE1-NH2 3.17Å; E98-R100 PolarHBondContact OE1-NH2 2.82Å
99E81.8Confident89.4Confident30 Ų3054.6 Ų54.614%0.1428%0.275CS..  trans-131.8134.2176-176.347.4-114.800108.5V97 L101 L104 L121 T125V97-E99 HydrophobicContact CG1-CB 4.49Å; E99-L101 WeakPolarHBondContact OE1-CB 3.1Å; E99-L101 WeakPolarHBondContact OE1-CG 3.28Å; E99-L101 PolarHBondContact OE1-N 3.2Å; E99-L101 VanDerWaalsContact OE1-N 3.07Å; E99-L104 HydrophobicContact CB-CD2 3.82Å; E99-L104 HydrophobicContact CG-CD2 4.29Å; E99-L121 HydrophobicContact CG-CD1 4.31Å; E99-L121 VanDerWaalsContact OE2-CD1 3.29Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.44Å; E99-T125 PolarHBondContact OE2-OG1 3.3Å; E99-T125 VanDerWaalsContact OE2-OG1 3.1Å
100R79.4Confident89.7Confident204 Ų20453.1 Ų53.177%0.7727%0.266SS*.SBendtrans-107.7-16.5-171.4-65.7-177.4-178.1172.34.6113.3E98E98-R100 IonicContact OE1-CZ 3.52Å; E98-R100 IonicContact OE1-NE 2.81Å; E98-R100 PolarHBondContact OE1-NE 2.9Å; E98-R100 VanDerWaalsContact OE1-NE 3.17Å; E98-R100 IonicContact OE1-NH2 3.17Å; E98-R100 PolarHBondContact OE1-NH2 2.82Å
101L79.7Confident90Very high85 Ų8545.4 Ų45.445%0.44523%0.225SC..SBendtrans-69.7-55.4-178.2-68.1171.3000112.2E99 D120E99-L101 WeakPolarHBondContact OE1-CB 3.1Å; E99-L101 WeakPolarHBondContact OE1-CG 3.28Å; E99-L101 PolarHBondContact OE1-N 3.2Å; E99-L101 VanDerWaalsContact OE1-N 3.07Å; L101-D120 HydrophobicContact CD1-CB 4.45Å
102S86.3Confident90.2Very high48 Ų4840.6 Ų40.634%0.33620%0.195SC..SBendtrans-162.7-174.6-179.8-159.90000110.7
103A89.1Confident90.3Very high25 Ų2546.5 Ų46.521%0.20722%0.217CC..  trans-65.9140.7173.900000111.1R61 M62 G105 N106 V107R61-A103 VanDerWaalsContact O-CB 3.29Å; R61-A103 WeakPolarHBondContact O-CB 3.45Å; M62-A103 HydrophobicContact SD-CB 3.93Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.16Å; A103-N106 WeakPolarHBondContact O-CB 3.47Å; A103-N106 PolarHBondContact O-N 3.24Å; A103-V107 PolarHBondContact O-N 3.05Å
104L90.8Very high90.4Very high3 Ų342.2 Ų42.22%0.01620%0.2CC..Hα-helixtrans-54.5-41.4-173.5-64.7172.5000113.2V64 L71 P73 V97 E99 N106 V107 I108V64-L104 HydrophobicContact CG1-CB 4.18Å; L71-L104 HydrophobicContact CB-CD1 4.21Å; P73-L104 HydrophobicContact CB-CD1 4.43Å; V97-L104 HydrophobicContact CB-CD1 4.31Å; V97-L104 HydrophobicContact CB-CD2 4.34Å; V97-L104 HydrophobicContact CG1-CD2 4.11Å; E99-L104 HydrophobicContact CB-CD2 3.82Å; E99-L104 HydrophobicContact CG-CD2 4.29Å; L104-N106 PolarHBondContact O-N 3.28Å; L104-V107 WeakPolarHBondContact O-CG2 3.43Å; L104-V107 PolarHBondContact O-N 3.33Å; L104-I108 HydrophobicContact CB-CD1 4.37Å; L104-I108 HydrophobicContact CD2-CD1 4.07Å; L104-I108 WeakPolarHBondContact O-CB 3.2Å; L104-I108 PolarHBondContact O-N 3.4Å
105G90.8Very high90.5Very high3 Ų341.4 Ų41.43%0.03120%0.195CC..Hα-helixtrans-71.6-11.5179.100000114.5R61 A103 G149R61-G105 WeakPolarHBondContact O-CA 3.47Å; R61-G105 PolarHBondContact O-N 2.98Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.16Å; G105-G149 CarbonylContact O-C 3.54Å; G105-G149 WeakPolarHBondContact O-CA 3.33Å
106N93.3Very high90.5Very high29 Ų2937.9 Ų37.916%0.15518%0.179CC..Hα-helixtrans-91.3-32.4172.9-65.4-16.7000112.2R61 A103 L104 L147 G149 S150R61-N106 WeakPolarHBondContact CD-OD1 3.27Å; R61-N106 PolarHBondContact NH1-OD1 3.35Å; A103-N106 WeakPolarHBondContact O-CB 3.47Å; A103-N106 PolarHBondContact O-N 3.24Å; L104-N106 PolarHBondContact O-N 3.28Å; N106-L147 HydrophobicContact CB-CD2 4.38Å; N106-L147 CarbonylContact O-C 3.58Å; N106-L147 VanDerWaalsContact O-C 3.28Å; N106-L147 WeakPolarHBondContact O-CA 3.44Å; N106-G149 VanDerWaalsContact O-CA 3.3Å; N106-G149 WeakPolarHBondContact O-CA 3.46Å; N106-G149 PolarHBondContact O-N 3.47Å; N106-S150 PolarHBondContact OD1-OG 3.2Å
107V93Very high90.6Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-90.1-21.5-177-67.50000113.2A103 L104 V117 H118 L147 V148A103-V107 PolarHBondContact O-N 3.05Å; L104-V107 WeakPolarHBondContact O-CG2 3.43Å; L104-V107 PolarHBondContact O-N 3.33Å; V107-V117 CarbonylContact O-C 3.6Å; V107-V117 WeakPolarHBondContact O-CA 3.47Å; V107-H118 HydrophobicContact CB-CB 4.05Å; V107-H118 HydrophobicContact CG1-CB 4.21Å; V107-H118 PolarHBondContact O-N 3.12Å; V107-L147 HydrophobicContact CG1-CD2 4.2Å; V107-V148 VanDerWaalsContact O-CG2 3.24Å; V107-V148 WeakPolarHBondContact O-CG2 3.48Å
108I94.4Very high90.8Very high1 Ų135.3 Ų35.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-123.8128.9-175.6-60.5143.4000109.7V64 L104 C110 L116 V117 L129V64-I108 HydrophobicContact CB-CB 4.42Å; V64-I108 HydrophobicContact CB-CG2 4.37Å; V64-I108 HydrophobicContact CG1-CB 4.19Å; V64-I108 HydrophobicContact CG1-CD1 3.91Å; V64-I108 HydrophobicContact CG1-CG2 4.14Å; V64-I108 HydrophobicContact CG2-CB 4.07Å; V64-I108 HydrophobicContact CG2-CG2 3.62Å; L104-I108 HydrophobicContact CB-CD1 4.37Å; L104-I108 HydrophobicContact CD2-CD1 4.07Å; L104-I108 WeakPolarHBondContact O-CB 3.2Å; L104-I108 PolarHBondContact O-N 3.4Å; I108-C110 HydrophobicContact CG2-CB 4.43Å; I108-L116 WeakPolarHBondContact CA-O 3.37Å; I108-V117 HydrophobicContact CG1-CG1 3.89Å; I108-V117 HydrophobicContact CG2-CG1 4.32Å; I108-L129 HydrophobicContact CB-CD1 4.31Å; I108-L129 HydrophobicContact CD1-CD1 3.51Å; I108-L129 HydrophobicContact CG1-CD1 3.66Å; I108-L129 HydrophobicContact CG2-CD1 3.67Å
109A94.2Very high91.1Very high8 Ų832.1 Ų32.17%0.06616%0.158CC..EExtended strand (participates in β ladder)trans-117.5131.3163.400000108.4A115 L116 F154A109-A115 CarbonylContact O-C 3.52Å; A109-A115 WeakPolarHBondContact O-CA 3.45Å; A109-L116 PolarHBondContact N-O 3.13Å; A109-L116 PolarHBondContact O-N 3.48Å; A109-F154 HydrophobicContact CB-CD1 4.1Å; A109-F154 HydrophobicContact CB-CE1 3.41Å; A109-F154 VanDerWaalsContact CB-CE1 3.41Å; A109-F154 HydrophobicContact CB-CZ 4.27Å; A109-F154 VanDerWaalsContact O-CZ 3.3Å; A109-F154 WeakPolarHBondContact O-CZ 3.46Å
110C94.3Very high91.6Very high19 Ų1936.1 Ų36.113%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-143.3150.1-175650000112.6V64 I108 V114 A115 L133V64-C110 WeakPolarHBondContact CG2-SG 3.34Å; I108-C110 HydrophobicContact CG2-CB 4.43Å; C110-V114 WeakPolarHBondContact CA-O 3.43Å; C110-A115 HydrophobicContact CB-CB 3.8Å; C110-L133 HydrophobicContact CB-CD1 4.45Å
111N94.1Very high92.1Very high8 Ų826.6 Ų26.64%0.04315%0.145CC..  trans-113.4-160161.369.710.3000109.6N66 Y113 V114 F154 S155 N156N66-N111 WeakPolarHBondContact CB-O 3.43Å; N66-N111 PolarHBondContact ND2-O 2.92Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 3.42Å; N111-Y113 PolarHBondContact OD1-N 2.86Å; N111-V114 PolarHBondContact N-O 2.92Å; N111-V114 PolarHBondContact OD1-N 2.91Å; N111-V114 PolarHBondContact OD1-O 3.01Å; N111-F154 HydrophobicContact CB-CD2 3.68Å; N111-F154 HydrophobicContact CB-CE2 3.61Å; N111-F154 VanDerWaalsContact N-CE2 3.3Å; N111-S155 PolarHBondContact ND2-O 3.15Å; N111-N156 WeakPolarHBondContact CB-OD1 3.34Å
112D93.6Very high92.7Very high8 Ų826.9 Ų26.94%0.04315%0.147CC..SBendtrans-79.5-9.1-178.4-66.9-32.1000114.1N21 R67 N156N21-D112 PolarHBondContact ND2-OD2 3.17Å; R67-D112 WeakPolarHBondContact CB-OD1 3.36Å; R67-D112 WeakPolarHBondContact CD-OD2 3.42Å; R67-D112 HydrophobicContact CG-CB 4.32Å; R67-D112 VanDerWaalsContact CG-OD1 3.29Å; R67-D112 WeakPolarHBondContact CG-OD1 3.13Å; R67-D112 PolarHBondContact N-OD1 3.47Å; D112-N156 PolarHBondContact N-OD1 2.82Å; D112-N156 VanDerWaalsContact N-OD1 3.11Å; D112-N156 PolarHBondContact OD2-ND2 3.14Å
113Y92.9Very high92.8Very high137 Ų13733.3 Ų33.354%0.53716%0.164SC..SBendtrans-122.1-36-172.9-56.2-76000113.5N111 V135 E136 N156N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 3.42Å; N111-Y113 PolarHBondContact OD1-N 2.86Å; Y113-V135 VanDerWaalsContact O-CA 3.3Å; Y113-V135 WeakPolarHBondContact O-CA 3.39Å; Y113-V135 WeakPolarHBondContact O-CB 3.3Å; Y113-E136 PolarHBondContact O-N 3.43Å; Y113-N156 WeakPolarHBondContact CD2-OD1 2.91Å; Y113-N156 HydrophobicContact CE2-CB 4.14Å
114V94.8Very high92.9Very high13 Ų1339.6 Ų39.68%0.07919%0.189CC..EExtended strand (participates in β ladder)trans-136.9143.5-169.6-1750000110.5C110 N111 E136 F138 L176 L177C110-V114 WeakPolarHBondContact CA-O 3.43Å; N111-V114 PolarHBondContact N-O 2.92Å; N111-V114 PolarHBondContact OD1-N 2.91Å; N111-V114 PolarHBondContact OD1-O 3.01Å; V114-E136 CarbonylContact C-O 3.54Å; V114-E136 WeakPolarHBondContact CA-O 3.39Å; V114-F138 HydrophobicContact CG1-CD2 3.4Å; V114-F138 VanDerWaalsContact CG1-CD2 3.4Å; V114-F138 HydrophobicContact CG1-CE2 3.55Å; V114-F138 HydrophobicContact CG2-CE2 4.42Å; V114-L176 HydrophobicContact CG1-CD2 4.14Å; V114-L177 HydrophobicContact CB-CD2 4Å; V114-L177 HydrophobicContact CG1-CD2 3.5Å
115A95.4Very high92.9Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-125.3134.1170.300000111.3A109 C110 L129 V135 E136 V137 F138A109-A115 CarbonylContact O-C 3.52Å; A109-A115 WeakPolarHBondContact O-CA 3.45Å; C110-A115 HydrophobicContact CB-CB 3.8Å; A115-L129 HydrophobicContact CB-CD2 3.7Å; A115-V135 HydrophobicContact CB-CG2 3.66Å; A115-E136 PolarHBondContact N-O 3.02Å; A115-V137 WeakPolarHBondContact O-CA 3.41Å; A115-F138 PolarHBondContact O-N 2.71Å
116L94.4Very high93Very high0 Ų041.8 Ų41.80%020%0.198CC..EExtended strand (participates in β ladder)trans-94.5132.7165.8-60.7-177.5000109.1I108 A109 F138 Q140 V148 F154 L173 L176 L177I108-L116 WeakPolarHBondContact CA-O 3.37Å; A109-L116 PolarHBondContact N-O 3.13Å; A109-L116 PolarHBondContact O-N 3.48Å; L116-F138 WeakPolarHBondContact CA-O 3.37Å; L116-F138 HydrophobicContact CD2-CB 4.13Å; L116-Q140 HydrophobicContact CD2-CB 4.33Å; L116-V148 HydrophobicContact CB-CB 4.37Å; L116-V148 HydrophobicContact CB-CG2 4.13Å; L116-V148 WeakPolarHBondContact O-CG2 3.18Å; L116-F154 HydrophobicContact CD1-CE1 4.14Å; L116-F154 HydrophobicContact CG-CE1 4.18Å; L116-F154 HydrophobicContact CG-CZ 4.28Å; L116-L173 HydrophobicContact CD1-CD2 4.03Å; L116-L176 HydrophobicContact CD2-CD2 3.77Å; L116-L177 HydrophobicContact CD1-CD1 4.15Å; L116-L177 HydrophobicContact CD1-CD2 4.29Å; L116-L177 HydrophobicContact CD2-CD2 3.94Å; L116-L177 HydrophobicContact CG-CD2 3.95Å
117V95.2Very high92.9Very high0 Ų045.1 Ų45.10%021%0.213CC..EExtended strand (participates in β ladder)trans-130.1158.6-179.2-59.10000112.3V107 I108 L121 L129 V137 F138 R139 Q140V107-V117 CarbonylContact O-C 3.6Å; V107-V117 WeakPolarHBondContact O-CA 3.47Å; I108-V117 HydrophobicContact CG1-CG1 3.89Å; I108-V117 HydrophobicContact CG2-CG1 4.32Å; V117-L121 HydrophobicContact CB-CD2 3.83Å; V117-L121 HydrophobicContact CG1-CD2 4Å; V117-L121 HydrophobicContact CG2-CD2 4.06Å; V117-L129 HydrophobicContact CG1-CD1 4.27Å; V117-V137 HydrophobicContact CB-CG1 4.17Å; V117-V137 HydrophobicContact CG1-CG1 3.52Å; V117-V137 HydrophobicContact CG2-CG1 3.51Å; V117-F138 PolarHBondContact N-O 3.06Å; V117-R139 HydrophobicContact CG2-CG 3.76Å; V117-Q140 PolarHBondContact O-N 2.95Å
118H94.3Very high92.9Very high15 Ų1547.9 Ų47.97%0.06923%0.227CC..  trans-53135.6171.3-170.6-74.7000111.4V107 D120 L121 V146V107-H118 HydrophobicContact CB-CB 4.05Å; V107-H118 HydrophobicContact CG1-CB 4.21Å; V107-H118 PolarHBondContact O-N 3.12Å; H118-D120 VanDerWaalsContact C-N 3.3Å; H118-D120 IonicContact CE1-OD2 2.71Å; H118-D120 PolarHBondContact CE1-OD2 3.23Å; H118-D120 PolarHBondContact ND1-N 3.36Å; H118-D120 PolarHBondContact O-N 3.18Å; H118-L121 VanDerWaalsContact O-CB 3.26Å; H118-L121 WeakPolarHBondContact O-CB 3.45Å; H118-L121 PolarHBondContact O-N 3.28Å; H118-L121 VanDerWaalsContact O-N 3.08Å; H118-V146 PolarHBondContact CD2-O 2.83Å; H118-V146 VanDerWaalsContact CD2-O 3.27Å; H118-V146 VanDerWaalsContact NE2-CB 3.31Å; H118-V146 WeakPolarHBondContact NE2-CB 3.36Å; H118-V146 VanDerWaalsContact NE2-CG2 3.26Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.42Å
119P91.8Very high92.9Very high38 Ų3847.8 Ų47.825%0.24723%0.227CC..THydrogen-bonded Turntrans-57.4-38.8-177.6-27.234.7000114.8L121 R139 T141P119-L121 VanDerWaalsContact C-N 3.28Å; P119-L121 PolarHBondContact O-N 3.02Å; P119-R139 PolarHBondContact O-NH1 2.93Å; P119-T141 HydrophobicContact CG-CG2 3.59Å
120D92.2Very high92.9Very high115 Ų11548.9 Ų48.962%0.61524%0.236SC*.THydrogen-bonded Turntrans-86.114.4179.4-54.7-39.7000114.2L101 H118 D122L101-D120 HydrophobicContact CD1-CB 4.45Å; H118-D120 VanDerWaalsContact C-N 3.3Å; H118-D120 IonicContact CE1-OD2 2.71Å; H118-D120 PolarHBondContact CE1-OD2 3.23Å; H118-D120 PolarHBondContact ND1-N 3.36Å; H118-D120 PolarHBondContact O-N 3.18Å; D120-D122 PolarHBondContact O-N 3.19Å
121L90.4Very high92.8Very high3 Ų353.6 Ų53.62%0.01626%0.26CS..  trans-61.3137.5178.5-168.174.6000111.1E99 V117 H118 P119 T125 E126 R139E99-L121 HydrophobicContact CG-CD1 4.31Å; E99-L121 VanDerWaalsContact OE2-CD1 3.29Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.44Å; V117-L121 HydrophobicContact CB-CD2 3.83Å; V117-L121 HydrophobicContact CG1-CD2 4Å; V117-L121 HydrophobicContact CG2-CD2 4.06Å; H118-L121 VanDerWaalsContact O-CB 3.26Å; H118-L121 WeakPolarHBondContact O-CB 3.45Å; H118-L121 PolarHBondContact O-N 3.28Å; H118-L121 VanDerWaalsContact O-N 3.08Å; P119-L121 VanDerWaalsContact C-N 3.28Å; P119-L121 PolarHBondContact O-N 3.02Å; L121-T125 HydrophobicContact CD1-CG2 3.92Å; L121-T125 HydrophobicContact CD2-CG2 4.08Å; L121-T125 HydrophobicContact CG-CG2 4.14Å; L121-E126 HydrophobicContact CD2-CB 4.34Å; L121-R139 PolarHBondContact O-NH1 2.71Å; L121-R139 PolarHBondContact O-NH2 3.1Å
122D91.1Very high92.8Very high91 Ų9153.4 Ų53.449%0.48726%0.259SS..  trans-61137.9176.3-76-26.5000110.7D120 E124 T125 E126D120-D122 PolarHBondContact O-N 3.19Å; D122-E124 PolarHBondContact O-N 2.94Å; D122-T125 WeakPolarHBondContact O-CB 3.32Å; D122-T125 PolarHBondContact O-N 2.68Å; D122-T125 VanDerWaalsContact O-N 3.1Å; D122-E126 PolarHBondContact O-N 3.16Å
123R90Very high92.8Very high184 Ų18453 Ų5369%0.69426%0.257SS*.Hα-helixtrans-62-34.3-178.2-175.7177.5173.2156.46.5112.4T125 E126 E127R123-T125 VanDerWaalsContact C-N 3.34Å; R123-E126 PolarHBondContact O-N 3.04Å; R123-E127 IonicContact CZ-OE1 3.17Å; R123-E127 IonicContact NE-OE1 3.22Å; R123-E127 PolarHBondContact NE-OE1 3.34Å; R123-E127 IonicContact NH2-OE1 3.88Å; R123-E127 WeakPolarHBondContact O-CG 3.49Å; R123-E127 PolarHBondContact O-N 2.77Å
124E90.8Very high92.8Very high157 Ų15753.6 Ų53.673%0.73426%0.262SS*.Hα-helixtrans-62.2-43.5174.9-63.3-176.8-179.200111.1D122 E127 I128D122-E124 PolarHBondContact O-N 2.94Å; E124-E127 PolarHBondContact O-N 2.91Å; E124-I128 WeakPolarHBondContact O-CD1 3.27Å; E124-I128 VanDerWaalsContact O-CG1 3.25Å; E124-I128 WeakPolarHBondContact O-CG1 3.27Å; E124-I128 PolarHBondContact O-N 3.39Å
125T90.3Very high92.8Very high7 Ų753.4 Ų53.44%0.04326%0.261CS..Hα-helixtrans-64.3-41176.1-57.40000111.6V97 E99 L121 D122 R123 I128 L129V97-T125 HydrophobicContact CG1-CG2 3.59Å; E99-T125 PolarHBondContact OE2-OG1 3.3Å; E99-T125 VanDerWaalsContact OE2-OG1 3.1Å; L121-T125 HydrophobicContact CD1-CG2 3.92Å; L121-T125 HydrophobicContact CD2-CG2 4.08Å; L121-T125 HydrophobicContact CG-CG2 4.14Å; D122-T125 WeakPolarHBondContact O-CB 3.32Å; D122-T125 PolarHBondContact O-N 2.68Å; D122-T125 VanDerWaalsContact O-N 3.1Å; R123-T125 VanDerWaalsContact C-N 3.34Å; T125-I128 PolarHBondContact O-N 3.26Å; T125-L129 VanDerWaalsContact O-CB 3.29Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 PolarHBondContact O-N 3.2Å
126E92.1Very high92.7Very high44 Ų4459.7 Ų59.721%0.20629%0.29CS..Hα-helixtrans-60.8-45.5175.8178.8173.9-17900112.3L121 D122 R123 L129 A130 V137 R139L121-E126 HydrophobicContact CD2-CB 4.34Å; D122-E126 PolarHBondContact O-N 3.16Å; R123-E126 PolarHBondContact O-N 3.04Å; E126-L129 WeakPolarHBondContact O-CB 3.28Å; E126-L129 PolarHBondContact O-N 3.43Å; E126-A130 PolarHBondContact O-N 3.49Å; E126-V137 HydrophobicContact CG-CB 4.01Å; E126-V137 HydrophobicContact CG-CG1 3.85Å; E126-V137 HydrophobicContact CG-CG2 4.38Å; E126-R139 IonicContact OE2-CZ 3.89Å; E126-R139 IonicContact OE2-NE 3.21Å; E126-R139 PolarHBondContact OE2-NE 3.05Å; E126-R139 IonicContact OE2-NH2 3.03Å; E126-R139 PolarHBondContact OE2-NH2 2.94Å
127E92.8Very high92.7Very high99 Ų9960.7 Ų60.746%0.46330%0.297SS..Hα-helixtrans-64.2-43.6177.7-72.4174.2-169.100111.3R123 E124 L129 A130 D131R123-E127 IonicContact CZ-OE1 3.17Å; R123-E127 IonicContact NE-OE1 3.22Å; R123-E127 PolarHBondContact NE-OE1 3.34Å; R123-E127 IonicContact NH2-OE1 3.88Å; R123-E127 WeakPolarHBondContact O-CG 3.49Å; R123-E127 PolarHBondContact O-N 2.77Å; E124-E127 PolarHBondContact O-N 2.91Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.11Å; E127-A130 PolarHBondContact O-N 3.21Å; E127-D131 WeakPolarHBondContact O-CB 3.49Å; E127-D131 PolarHBondContact O-N 3.22Å
128I92.6Very high92.7Very high58 Ų5863.9 Ų63.930%0.29731%0.311SS..Hα-helixtrans-60.7-39175.4-67.7164.3000111.2Q95 V97 E124 T125 S132Q95-I128 HydrophobicContact CG-CG2 3.87Å; V97-I128 HydrophobicContact CG2-CG2 3.89Å; E124-I128 WeakPolarHBondContact O-CD1 3.27Å; E124-I128 VanDerWaalsContact O-CG1 3.25Å; E124-I128 WeakPolarHBondContact O-CG1 3.27Å; E124-I128 PolarHBondContact O-N 3.39Å; T125-I128 PolarHBondContact O-N 3.26Å; I128-S132 WeakPolarHBondContact O-CB 3.46Å; I128-S132 PolarHBondContact O-N 2.96Å; I128-S132 PolarHBondContact O-OG 3.42Å
129L93.3Very high92.7Very high0 Ų068.2 Ų68.20%033%0.326CS..Hα-helixtrans-67.7-49.2179.8-173.5146.1000111.5L71 I108 A115 V117 T125 E126 E127 D131 S132 L133 V135 V137L71-L129 HydrophobicContact CD1-CB 4.08Å; L71-L129 HydrophobicContact CD1-CD1 3.87Å; L71-L129 HydrophobicContact CD1-CG 3.88Å; I108-L129 HydrophobicContact CB-CD1 4.31Å; I108-L129 HydrophobicContact CD1-CD1 3.51Å; I108-L129 HydrophobicContact CG1-CD1 3.66Å; I108-L129 HydrophobicContact CG2-CD1 3.67Å; A115-L129 HydrophobicContact CB-CD2 3.7Å; V117-L129 HydrophobicContact CG1-CD1 4.27Å; T125-L129 VanDerWaalsContact O-CB 3.29Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 PolarHBondContact O-N 3.2Å; E126-L129 WeakPolarHBondContact O-CB 3.28Å; E126-L129 PolarHBondContact O-N 3.43Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.11Å; L129-D131 VanDerWaalsContact C-N 3.31Å; L129-D131 PolarHBondContact O-N 3.49Å; L129-S132 PolarHBondContact O-N 3.44Å; L129-L133 HydrophobicContact CD1-CD1 4.43Å; L129-L133 HydrophobicContact CD2-CD1 4.18Å; L129-L133 HydrophobicContact CG-CD1 3.9Å; L129-L133 HydrophobicContact CG-CG 4.45Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 PolarHBondContact O-N 2.97Å; L129-V135 HydrophobicContact CD2-CG2 3.84Å; L129-V137 HydrophobicContact CD2-CG1 4.37Å; L129-V137 HydrophobicContact CD2-CG2 3.37Å
130A94.3Very high92.7Very high31 Ų3168.4 Ų68.426%0.25632%0.324SS..Hα-helixtrans-57.1-45.4176.800000111.2E126 E127 K134 V137E126-A130 PolarHBondContact O-N 3.49Å; E127-A130 PolarHBondContact O-N 3.21Å; A130-K134 WeakPolarHBondContact O-CA 3.38Å; A130-K134 PolarHBondContact O-N 2.6Å; A130-V137 HydrophobicContact CB-CG2 3.94Å
131D93.4Very high92.7Very high118 Ų11865.3 Ų65.363%0.63131%0.309SS*.Hα-helixtrans-71.3-37.6-178.8-79.7-7.9000113.5E127 L129E127-D131 WeakPolarHBondContact O-CB 3.49Å; E127-D131 PolarHBondContact O-N 3.22Å; L129-D131 VanDerWaalsContact C-N 3.31Å; L129-D131 PolarHBondContact O-N 3.49Å
132S92.9Very high92.7Very high3 Ų365.2 Ų65.22%0.02131%0.309CS..Hα-helixtrans-82.7-39.5-174.6-57.40000112.4I128 L129I128-S132 WeakPolarHBondContact O-CB 3.46Å; I128-S132 PolarHBondContact O-N 2.96Å; I128-S132 PolarHBondContact O-OG 3.42Å; L129-S132 PolarHBondContact O-N 3.44Å
133L93.3Very high92.5Very high0 Ų061.7 Ų61.70%029%0.292CS..Hα-helixtrans-91.4-15.8179.6-58.2-173.9000112.3N66 H68 G69 L71 C110 L129 V135N66-L133 PolarHBondContact ND2-O 3.29Å; H68-L133 WeakPolarHBondContact CB-O 3.29Å; H68-L133 PolarHBondContact CD2-O 3.49Å; G69-L133 VanDerWaalsContact C-CD2 3.45Å; G69-L133 WeakPolarHBondContact O-CD2 3.47Å; L71-L133 HydrophobicContact CD1-CD1 4.22Å; L71-L133 HydrophobicContact CD1-CG 4.38Å; L71-L133 HydrophobicContact CG-CD2 4.35Å; L71-L133 HydrophobicContact CG-CG 4.43Å; C110-L133 HydrophobicContact CB-CD1 4.45Å; L129-L133 HydrophobicContact CD1-CD1 4.43Å; L129-L133 HydrophobicContact CD2-CD1 4.18Å; L129-L133 HydrophobicContact CG-CD1 3.9Å; L129-L133 HydrophobicContact CG-CG 4.45Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 PolarHBondContact O-N 2.97Å; L133-V135 HydrophobicContact CB-CG1 4.16Å; L133-V135 HydrophobicContact CB-CG2 3.82Å
134K93.8Very high92.4Very high149 Ų14961.6 Ų61.665%0.64830%0.3SS*.THydrogen-bonded Turntrans58.245.9-176.3-56.1-179178.1178.80112.6H68 A130H68-K134 HydrophobicContact CB-CD 4.47Å; A130-K134 WeakPolarHBondContact O-CA 3.38Å; A130-K134 PolarHBondContact O-N 2.6Å
135V94.6Very high92.3Very high9 Ų957.7 Ų57.76%0.05528%0.281CS..  trans-126153.2-177.1-61.50000110.9N66 Y113 A115 L129 L133 V137N66-V135 VanDerWaalsContact ND2-CG1 3.34Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.35Å; Y113-V135 VanDerWaalsContact O-CA 3.3Å; Y113-V135 WeakPolarHBondContact O-CA 3.39Å; Y113-V135 WeakPolarHBondContact O-CB 3.3Å; A115-V135 HydrophobicContact CB-CG2 3.66Å; L129-V135 HydrophobicContact CD2-CG2 3.84Å; L133-V135 HydrophobicContact CB-CG1 4.16Å; L133-V135 HydrophobicContact CB-CG2 3.82Å; V135-V137 HydrophobicContact CG2-CG2 4.48Å
136E93.8Very high92.4Very high132 Ų13260.2 Ų60.262%0.61730%0.296SS*.EExtended strand (participates in β ladder)trans-76.2132.8168.4-65.3-174.9178.900109.7Y113 V114 A115 F138Y113-E136 PolarHBondContact O-N 3.43Å; V114-E136 CarbonylContact C-O 3.54Å; V114-E136 WeakPolarHBondContact CA-O 3.39Å; A115-E136 PolarHBondContact N-O 3.02Å; E136-F138 HydrophobicContact CB-CE2 3.77Å; E136-F138 HydrophobicContact CB-CZ 4.13Å
137V94.8Very high92.4Very high22 Ų2260.4 Ų60.413%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-105.5128.3-175-1710000109.7A115 V117 E126 L129 A130 V135A115-V137 WeakPolarHBondContact O-CA 3.41Å; V117-V137 HydrophobicContact CB-CG1 4.17Å; V117-V137 HydrophobicContact CG1-CG1 3.52Å; V117-V137 HydrophobicContact CG2-CG1 3.51Å; E126-V137 HydrophobicContact CG-CB 4.01Å; E126-V137 HydrophobicContact CG-CG1 3.85Å; E126-V137 HydrophobicContact CG-CG2 4.38Å; L129-V137 HydrophobicContact CD2-CG1 4.37Å; L129-V137 HydrophobicContact CD2-CG2 3.37Å; A130-V137 HydrophobicContact CB-CG2 3.94Å; V135-V137 HydrophobicContact CG2-CG2 4.48Å
138F94.4Very high92.4Very high67 Ų6755.7 Ų55.729%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-124.2130.9176.3-59.8-83.8000110.7V114 A115 L116 V117 E136 L176V114-F138 HydrophobicContact CG1-CD2 3.4Å; V114-F138 VanDerWaalsContact CG1-CD2 3.4Å; V114-F138 HydrophobicContact CG1-CE2 3.55Å; V114-F138 HydrophobicContact CG2-CE2 4.42Å; A115-F138 PolarHBondContact O-N 2.71Å; L116-F138 WeakPolarHBondContact CA-O 3.37Å; L116-F138 HydrophobicContact CD2-CB 4.13Å; V117-F138 PolarHBondContact N-O 3.06Å; E136-F138 HydrophobicContact CB-CE2 3.77Å; E136-F138 HydrophobicContact CB-CZ 4.13Å; F138-L176 HydrophobicContact CB-CD1 3.94Å; F138-L176 HydrophobicContact CB-CD2 3.94Å; F138-L176 HydrophobicContact CB-CG 4.42Å; F138-L176 HydrophobicContact CD1-CD1 3.96Å; F138-L176 HydrophobicContact CD1-CD2 4.34Å; F138-L176 HydrophobicContact CD1-CG 4.17Å; F138-L176 HydrophobicContact CD2-CD1 4.48Å; F138-L176 HydrophobicContact CD2-CD2 3.42Å; F138-L176 VanDerWaalsContact CD2-CD2 3.42Å; F138-L176 HydrophobicContact CD2-CG 4.08Å; F138-L176 HydrophobicContact CE1-CG 4.47Å; F138-L176 HydrophobicContact CE2-CD2 3.94Å; F138-L176 HydrophobicContact CE2-CG 4.37Å; F138-L176 HydrophobicContact CG-CD1 3.87Å; F138-L176 HydrophobicContact CG-CD2 3.64Å; F138-L176 HydrophobicContact CG-CG 3.96Å
139R93.9Very high92.4Very high106 Ų10653.2 Ų53.240%0.427%0.265SS..EExtended strand (participates in β ladder)trans-85112.8173.9-69.4170.8-176.9-125.50.2108.3V117 P119 L121 E126V117-R139 HydrophobicContact CG2-CG 3.76Å; P119-R139 PolarHBondContact O-NH1 2.93Å; L121-R139 PolarHBondContact O-NH1 2.71Å; L121-R139 PolarHBondContact O-NH2 3.1Å; E126-R139 IonicContact OE2-CZ 3.89Å; E126-R139 IonicContact OE2-NE 3.21Å; E126-R139 PolarHBondContact OE2-NE 3.05Å; E126-R139 IonicContact OE2-NH2 3.03Å; E126-R139 PolarHBondContact OE2-NH2 2.94Å
140Q92.3Very high92.4Very high42 Ų4253.7 Ų53.720%0.19627%0.268CS..  trans-149.2163.8-177.8-167.850.4-63.500111.4L116 V117 V148 E172 L173L116-Q140 HydrophobicContact CD2-CB 4.33Å; V117-Q140 PolarHBondContact O-N 2.95Å; Q140-V148 WeakPolarHBondContact O-CG1 3.37Å; Q140-E172 PolarHBondContact NE2-OE1 3.15Å; Q140-L173 HydrophobicContact CB-CD2 4.45Å; Q140-L173 HydrophobicContact CG-CD2 3.55Å
141T92.2Very high92.4Very high50 Ų5054.4 Ų54.431%0.30727%0.265SS..  trans-116153.6172.7630000110.8P119 Q145 V146P119-T141 HydrophobicContact CG-CG2 3.59Å; T141-Q145 WeakPolarHBondContact CA-O 3.42Å; T141-Q145 WeakPolarHBondContact CB-O 3.37Å; T141-V146 HydrophobicContact CG2-CG1 4.33Å
142V89.1Confident92.4Very high1 Ų149 Ų491%0.00624%0.236CC..BIsolated β-bridgetrans-120.6115.7178.3178.10000108.2E144 Q145 V148 C152 V161 H162 L173V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 3.3Å; V142-Q145 PolarHBondContact N-O 3.15Å; V142-Q145 VanDerWaalsContact O-CB 3.26Å; V142-Q145 WeakPolarHBondContact O-CB 3.17Å; V142-Q145 PolarHBondContact O-N 2.99Å; V142-V148 HydrophobicContact CG2-CB 4.44Å; V142-V148 HydrophobicContact CG2-CG1 4.06Å; V142-C152 HydrophobicContact CG2-CB 4.21Å; V142-V161 HydrophobicContact CG1-CB 4.11Å; V142-V161 HydrophobicContact CG1-CG1 4.46Å; V142-H162 HydrophobicContact CG1-CB 4.12Å; V142-L173 HydrophobicContact CG2-CD1 4.15Å
143A88.4Confident92.5Very high16 Ų1649.4 Ų49.413%0.13224%0.24CC..THydrogen-bonded Turntrans51.547.8-176.300000113.2Q145 H162A143-Q145 PolarHBondContact O-N 3.24Å; A143-H162 HydrophobicContact CB-CB 4Å; A143-H162 WeakPolarHBondContact CB-ND1 3.3Å
144E86.4Confident92.5Very high183 Ų18350 Ų5086%0.85524%0.243SC*.THydrogen-bonded Turntrans62.17.7-176.1-52.8177.6172.300114.6V142V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 3.3Å
145Q89.6Confident92.5Very high75 Ų7543.2 Ų43.235%0.3521%0.214SC..BIsolated β-bridgetrans-93.5133.2174.9-59.2-63.4-27.600111T141 V142 A143 Y151T141-Q145 WeakPolarHBondContact CA-O 3.42Å; T141-Q145 WeakPolarHBondContact CB-O 3.37Å; V142-Q145 PolarHBondContact N-O 3.15Å; V142-Q145 VanDerWaalsContact O-CB 3.26Å; V142-Q145 WeakPolarHBondContact O-CB 3.17Å; V142-Q145 PolarHBondContact O-N 2.99Å; A143-Q145 PolarHBondContact O-N 3.24Å; Q145-Y151 HydrophobicContact CB-CD2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CD2 3.45Å; Q145-Y151 HydrophobicContact CB-CE2 3.63Å; Q145-Y151 HydrophobicContact CB-CG 4.24Å; Q145-Y151 HydrophobicContact CG-CD2 3.78Å; Q145-Y151 HydrophobicContact CG-CE2 3.65Å; Q145-Y151 HydrophobicContact CG-CG 4.32Å
146V92Very high92.5Very high59 Ų5944 Ų4436%0.35822%0.217SC..SBendtrans-81-20.6178.7-59.80000113.2H118 T141 V148H118-V146 PolarHBondContact CD2-O 2.83Å; H118-V146 VanDerWaalsContact CD2-O 3.27Å; H118-V146 VanDerWaalsContact NE2-CB 3.31Å; H118-V146 WeakPolarHBondContact NE2-CB 3.36Å; H118-V146 VanDerWaalsContact NE2-CG2 3.26Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.42Å; T141-V146 HydrophobicContact CG2-CG1 4.33Å; V146-V148 VanDerWaalsContact C-N 3.32Å; V146-V148 PolarHBondContact O-N 3.07Å; V146-V148 VanDerWaalsContact O-N 3.08Å
147L92.7Very high92.4Very high49 Ų4941.1 Ų41.126%0.25720%0.204SC..  trans-86.768.4-179.4-61.8-179.6000111.5N106 V107 G149 S150 Y151N106-L147 HydrophobicContact CB-CD2 4.38Å; N106-L147 CarbonylContact O-C 3.58Å; N106-L147 VanDerWaalsContact O-C 3.28Å; N106-L147 WeakPolarHBondContact O-CA 3.44Å; V107-L147 HydrophobicContact CG1-CD2 4.2Å; L147-G149 PolarHBondContact O-N 2.97Å; L147-S150 PolarHBondContact O-N 3.33Å; L147-Y151 HydrophobicContact CB-CD2 4.25Å; L147-Y151 HydrophobicContact CB-CE2 4.19Å; L147-Y151 VanDerWaalsContact O-CD2 3.28Å; L147-Y151 WeakPolarHBondContact O-CD2 3.12Å; L147-Y151 PolarHBondContact O-N 2.71Å
148V93.1Very high92.3Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-54.7-37-177-62.10000113.1V107 L116 Q140 V142 V146 S150 Y151 C152V107-V148 VanDerWaalsContact O-CG2 3.24Å; V107-V148 WeakPolarHBondContact O-CG2 3.48Å; L116-V148 HydrophobicContact CB-CB 4.37Å; L116-V148 HydrophobicContact CB-CG2 4.13Å; L116-V148 WeakPolarHBondContact O-CG2 3.18Å; Q140-V148 WeakPolarHBondContact O-CG1 3.37Å; V142-V148 HydrophobicContact CG2-CB 4.44Å; V142-V148 HydrophobicContact CG2-CG1 4.06Å; V146-V148 VanDerWaalsContact C-N 3.32Å; V146-V148 PolarHBondContact O-N 3.07Å; V146-V148 VanDerWaalsContact O-N 3.08Å; V148-S150 PolarHBondContact O-N 3.03Å; V148-Y151 PolarHBondContact O-N 3.14Å; V148-C152 VanDerWaalsContact O-CB 3.31Å; V148-C152 WeakPolarHBondContact O-CB 3.35Å; V148-C152 PolarHBondContact O-N 3.08Å
149G91.3Very high92.3Very high5 Ų536.9 Ų36.95%0.05218%0.184CC..Hα-helixtrans-66.5-17.3177.700000114.8G105 N106 L147 A194G105-G149 CarbonylContact O-C 3.54Å; G105-G149 WeakPolarHBondContact O-CA 3.33Å; N106-G149 VanDerWaalsContact O-CA 3.3Å; N106-G149 WeakPolarHBondContact O-CA 3.46Å; N106-G149 PolarHBondContact O-N 3.47Å; L147-G149 PolarHBondContact O-N 2.97Å; G149-A194 WeakPolarHBondContact O-CB 3.46Å
150S93.7Very high92.4Very high10 Ų1032 Ų327%0.0717%0.165CC..Hα-helixtrans-91.5-36.2175-65.50000113.3R61 N106 L147 V148 V192 I193 A194R61-S150 PolarHBondContact NH1-OG 2.92Å; N106-S150 PolarHBondContact OD1-OG 3.2Å; L147-S150 PolarHBondContact O-N 3.33Å; V148-S150 PolarHBondContact O-N 3.03Å; S150-V192 WeakPolarHBondContact O-CG1 3.34Å; S150-I193 PolarHBondContact O-N 2.83Å; S150-A194 PolarHBondContact O-N 3.3Å; S150-A194 VanDerWaalsContact O-N 3.13Å
151Y94.4Very high92.6Very high47 Ų4730 Ų3018%0.18416%0.156CC..Hα-helixtrans-104.5-3.8-167.7-65.8-66.5000113.8Q145 L147 V148 H162 V192Q145-Y151 HydrophobicContact CB-CD2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CD2 3.45Å; Q145-Y151 HydrophobicContact CB-CE2 3.63Å; Q145-Y151 HydrophobicContact CB-CG 4.24Å; Q145-Y151 HydrophobicContact CG-CD2 3.78Å; Q145-Y151 HydrophobicContact CG-CE2 3.65Å; Q145-Y151 HydrophobicContact CG-CG 4.32Å; L147-Y151 HydrophobicContact CB-CD2 4.25Å; L147-Y151 HydrophobicContact CB-CE2 4.19Å; L147-Y151 VanDerWaalsContact O-CD2 3.28Å; L147-Y151 WeakPolarHBondContact O-CD2 3.12Å; L147-Y151 PolarHBondContact O-N 2.71Å; V148-Y151 PolarHBondContact O-N 3.14Å; Y151-H162 AromaticContact CD1-CD2 3.63Å; Y151-H162 PolarHBondContact O-N 3.13Å; Y151-V192 HydrophobicContact CE1-CG2 4.34Å
152C93.5Very high92.7Very high3 Ų328 Ų282%0.0214%0.143CC..EExtended strand (participates in β ladder)trans-133.6137176.9-174.40000109.8V142 V148V142-C152 HydrophobicContact CG2-CB 4.21Å; V148-C152 VanDerWaalsContact O-CB 3.31Å; V148-C152 WeakPolarHBondContact O-CB 3.35Å; V148-C152 PolarHBondContact O-N 3.08Å
153A94.3Very high92.9Very high13 Ų1330 Ų3011%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-132.1125.3167.200000108.2G159 L160 I193 F222A153-G159 CarbonylContact O-C 3.52Å; A153-G159 WeakPolarHBondContact O-CA 3.03Å; A153-L160 PolarHBondContact N-O 3.3Å; A153-L160 PolarHBondContact O-N 2.91Å; A153-I193 HydrophobicContact CB-CG2 3.85Å; A153-F222 WeakPolarHBondContact O-CZ 3.4Å
154F93.9Very high93.1Very high13 Ų1336 Ų366%0.05718%0.18CC..EExtended strand (participates in β ladder)trans-140.5151.3-179.263.1-87.7000111.6A109 N111 L116 G158 L177A109-F154 HydrophobicContact CB-CD1 4.1Å; A109-F154 HydrophobicContact CB-CE1 3.41Å; A109-F154 VanDerWaalsContact CB-CE1 3.41Å; A109-F154 HydrophobicContact CB-CZ 4.27Å; A109-F154 VanDerWaalsContact O-CZ 3.3Å; A109-F154 WeakPolarHBondContact O-CZ 3.46Å; N111-F154 HydrophobicContact CB-CD2 3.68Å; N111-F154 HydrophobicContact CB-CE2 3.61Å; N111-F154 VanDerWaalsContact N-CE2 3.3Å; L116-F154 HydrophobicContact CD1-CE1 4.14Å; L116-F154 HydrophobicContact CG-CE1 4.18Å; L116-F154 HydrophobicContact CG-CZ 4.28Å; F154-G158 WeakPolarHBondContact CA-O 3.12Å; F154-L177 HydrophobicContact CD1-CD1 4.28Å; F154-L177 HydrophobicContact CD2-CD1 4.22Å; F154-L177 HydrophobicContact CE1-CD1 4.38Å; F154-L177 HydrophobicContact CE2-CD1 4.36Å; F154-L177 HydrophobicContact CE2-CD2 4.01Å; F154-L177 HydrophobicContact CG-CD1 4.18Å; F154-L177 HydrophobicContact CZ-CD1 4.44Å; F154-L177 HydrophobicContact CZ-CD2 4.04Å
155S94.3Very high93.4Very high6 Ų627.6 Ų27.64%0.04214%0.141CC..  trans-115.9-166.3172.777.70000109.6N111 Q157 G158 D201 F222N111-S155 PolarHBondContact ND2-O 3.15Å; S155-Q157 PolarHBondContact O-N 3.27Å; S155-Q157 PolarHBondContact OG-N 2.9Å; S155-Q157 VanDerWaalsContact OG-N 3.17Å; S155-G158 PolarHBondContact N-O 2.94Å; S155-D201 WeakPolarHBondContact CB-OD1 3.44Å; S155-F222 WeakPolarHBondContact OG-CD1 3.39Å
156N93.7Very high93.6Very high24 Ų2426.3 Ų26.313%0.12814%0.14CC..SBendtrans-76.7-13.2174.2-58.8-37.1000112.5N21 N111 D112 Y113 V179 D201N21-N156 PolarHBondContact ND2-ND2 3.45Å; N111-N156 WeakPolarHBondContact CB-OD1 3.34Å; D112-N156 PolarHBondContact N-OD1 2.82Å; D112-N156 VanDerWaalsContact N-OD1 3.11Å; D112-N156 PolarHBondContact OD2-ND2 3.14Å; Y113-N156 WeakPolarHBondContact CD2-OD1 2.91Å; Y113-N156 HydrophobicContact CE2-CB 4.14Å; N156-V179 WeakPolarHBondContact O-CG1 3.37Å; N156-D201 WeakPolarHBondContact CB-OD1 3.23Å; N156-D201 PolarHBondContact N-OD1 3.24Å; N156-D201 PolarHBondContact ND2-OD2 2.95Å
157Q91.8Very high93.6Very high73 Ų7329.6 Ų29.634%0.34116%0.155SC..SBendtrans-100-27.6-174.8-60-57.9-3200113.6S155 P180 D201S155-Q157 PolarHBondContact O-N 3.27Å; S155-Q157 PolarHBondContact OG-N 2.9Å; S155-Q157 VanDerWaalsContact OG-N 3.17Å; Q157-P180 VanDerWaalsContact O-CD 3.29Å; Q157-P180 WeakPolarHBondContact O-CD 3.16Å; Q157-P180 WeakPolarHBondContact O-CG 3.38Å; Q157-D201 HydrophobicContact CG-CB 4.33Å
158G94.1Very high93.6Very high0 Ų034.9 Ų34.90%018%0.178CC..  trans179.6-179.5-176.200000111.9F154 S155 P180 F222F154-G158 WeakPolarHBondContact CA-O 3.12Å; S155-G158 PolarHBondContact N-O 2.94Å; G158-P180 CarbonylContact C-O 3.53Å; G158-P180 VanDerWaalsContact CA-O 3.24Å; G158-P180 WeakPolarHBondContact CA-O 3.31Å; G158-F222 WeakPolarHBondContact O-CD1 3.29Å; G158-F222 WeakPolarHBondContact O-CE1 3.28Å
159G94.4Very high93.6Very high0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-153.9153.4177.800000114.3A153 P180 L181 V182 V221A153-G159 CarbonylContact O-C 3.52Å; A153-G159 WeakPolarHBondContact O-CA 3.03Å; G159-P180 PolarHBondContact N-O 3.41Å; G159-L181 VanDerWaalsContact CA-CD2 3.46Å; G159-L181 WeakPolarHBondContact O-CA 3.48Å; G159-V182 PolarHBondContact O-N 3.41Å; G159-V221 VanDerWaalsContact O-CG1 3.29Å; G159-V221 WeakPolarHBondContact O-CG1 3.04Å
160L95.2Very high93.7Very high2 Ų239.1 Ų39.11%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-112.7125.6176.5-16475.9000109A153 V182 V186 I193 M197 V217 I218 F222A153-L160 PolarHBondContact N-O 3.3Å; A153-L160 PolarHBondContact O-N 2.91Å; L160-V182 WeakPolarHBondContact CA-O 3.27Å; L160-V182 WeakPolarHBondContact CD1-O 3.49Å; L160-V186 HydrophobicContact CD2-CG1 4.03Å; L160-I193 HydrophobicContact CB-CG2 4.05Å; L160-I193 HydrophobicContact CD2-CD1 4.1Å; L160-I193 HydrophobicContact CD2-CG2 3.79Å; L160-I193 HydrophobicContact CG-CG2 4.17Å; L160-M197 HydrophobicContact CD2-SD 3.96Å; L160-V217 HydrophobicContact CD1-CG1 4.35Å; L160-I218 HydrophobicContact CD2-CG1 4.19Å; L160-F222 HydrophobicContact CB-CE2 4.09Å; L160-F222 HydrophobicContact CB-CZ 4.17Å
161V95.4Very high93.7Very high0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-114167.5179.9-61.10000111.1V142 T165 Q170 L181 V182 A183 G184V142-V161 HydrophobicContact CG1-CB 4.11Å; V142-V161 HydrophobicContact CG1-CG1 4.46Å; V161-T165 HydrophobicContact CG2-CG2 4.22Å; V161-Q170 HydrophobicContact CG2-CG 3.97Å; V161-L181 HydrophobicContact CG1-CD1 4.21Å; V161-L181 HydrophobicContact CG1-CD2 4.39Å; V161-V182 PolarHBondContact N-O 3.38Å; V161-A183 HydrophobicContact CG2-CB 4.12Å; V161-G184 PolarHBondContact O-N 3.08Å; V161-G184 VanDerWaalsContact O-N 3.15Å
162H94.5Very high93.6Very high8 Ų846.1 Ų46.14%0.03724%0.235CC..  trans-49.2139.1176.5-174.8-93.2000112.3V142 A143 Y151 K164 T165 E191V142-H162 HydrophobicContact CG1-CB 4.12Å; A143-H162 HydrophobicContact CB-CB 4Å; A143-H162 WeakPolarHBondContact CB-ND1 3.3Å; Y151-H162 AromaticContact CD1-CD2 3.63Å; Y151-H162 PolarHBondContact O-N 3.13Å; H162-K164 PolarHBondContact ND1-N 2.98Å; H162-K164 VanDerWaalsContact ND1-N 3.16Å; H162-K164 PolarHBondContact O-N 2.84Å; H162-K164 VanDerWaalsContact O-N 3.16Å; H162-T165 VanDerWaalsContact O-CB 3.31Å; H162-T165 WeakPolarHBondContact O-CB 3.28Å; H162-T165 PolarHBondContact O-N 2.84Å; H162-T165 PolarHBondContact O-OG1 3.04Å; H162-E191 IonicContact CE1-OE2 2.94Å; H162-E191 IonicContact NE2-OE2 2.67Å; H162-E191 PolarHBondContact NE2-OE2 3.14Å
163P93.1Very high93.6Very high45 Ų4546.1 Ų46.129%0.29224%0.235SC..THydrogen-bonded Turntrans-65.2-23.7-172.526-37000114.2T165 G184 T185 E191P163-T165 VanDerWaalsContact C-N 3.34Å; P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.25Å; P163-T185 HydrophobicContact CB-CG2 3.84Å; P163-T185 HydrophobicContact CG-CG2 3.78Å; P163-E191 HydrophobicContact CG-CB 4.43Å; P163-E191 HydrophobicContact CG-CG 4.07Å
164K92.9Very high93.5Very high140 Ų14047.1 Ų47.161%0.60924%0.241SC*.THydrogen-bonded Turntrans-90.47.7178.2-51.4-175.1-174.5113.80113.7H162 S166 E191H162-K164 PolarHBondContact ND1-N 2.98Å; H162-K164 VanDerWaalsContact ND1-N 3.16Å; H162-K164 PolarHBondContact O-N 2.84Å; H162-K164 VanDerWaalsContact O-N 3.16Å; K164-S166 PolarHBondContact O-N 3.26Å; K164-E191 IonicContact NZ-OE1 3.92Å; K164-E191 PolarHBondContact NZ-OE1 3.05Å; K164-E191 IonicContact NZ-OE2 2.79Å; K164-E191 PolarHBondContact NZ-OE2 3.46Å
165T92.5Very high93.5Very high8 Ų850.2 Ų50.25%0.04926%0.264CS..  trans-65.9130.9176.9-49.60000109.1V161 H162 P163 D169 Q170V161-T165 HydrophobicContact CG2-CG2 4.22Å; H162-T165 VanDerWaalsContact O-CB 3.31Å; H162-T165 WeakPolarHBondContact O-CB 3.28Å; H162-T165 PolarHBondContact O-N 2.84Å; H162-T165 PolarHBondContact O-OG1 3.04Å; P163-T165 VanDerWaalsContact C-N 3.34Å; T165-D169 HydrophobicContact CG2-CB 3.7Å; T165-Q170 HydrophobicContact CG2-CG 3.86Å; T165-Q170 PolarHBondContact O-NE2 3.39Å
166S94Very high93.4Very high47 Ų4752 Ų5233%0.32927%0.273SS..  trans-65.9160.2179.176.90000110.8K164 E168 D169 Q170K164-S166 PolarHBondContact O-N 3.26Å; S166-E168 VanDerWaalsContact C-N 3.25Å; S166-E168 PolarHBondContact O-N 3.46Å; S166-D169 WeakPolarHBondContact CB-OD2 3.45Å; S166-D169 PolarHBondContact O-N 3.43Å; S166-D169 WeakPolarHBondContact OG-CB 3.06Å; S166-D169 PolarHBondContact OG-N 3.47Å; S166-D169 PolarHBondContact OG-OD2 3.07Å; S166-Q170 WeakPolarHBondContact O-CG 3.3Å; S166-Q170 PolarHBondContact O-N 3.34Å; S166-Q170 PolarHBondContact O-NE2 3.17Å
167I93Very high93.2Very high129 Ų12951 Ų5166%0.66227%0.268SS*.Hα-helixtrans-66.2-35.8176.8-62.2171.9000109.9Q170 D171I167-Q170 WeakPolarHBondContact O-CB 3.47Å; I167-Q170 PolarHBondContact O-N 3.35Å; I167-D171 PolarHBondContact O-N 3.49Å
168E93.2Very high93.2Very high159 Ų15955.3 Ų55.374%0.74329%0.288SS*.Hα-helixtrans-62.3-47.3176.9-62.8178-175.100111.2S166 Q170 D171 E172S166-E168 VanDerWaalsContact C-N 3.25Å; S166-E168 PolarHBondContact O-N 3.46Å; E168-Q170 VanDerWaalsContact C-N 3.31Å; E168-Q170 PolarHBondContact O-N 3.29Å; E168-D171 PolarHBondContact O-N 3.17Å; E168-E172 PolarHBondContact O-N 3Å
169D92.4Very high93.2Very high64 Ų6455.9 Ų55.934%0.34229%0.291SS..Hα-helixtrans-65-36.1176.6-58.5-35.2000111.7T165 S166 E172 L173T165-D169 HydrophobicContact CG2-CB 3.7Å; S166-D169 WeakPolarHBondContact CB-OD2 3.45Å; S166-D169 PolarHBondContact O-N 3.43Å; S166-D169 WeakPolarHBondContact OG-CB 3.06Å; S166-D169 PolarHBondContact OG-N 3.47Å; S166-D169 PolarHBondContact OG-OD2 3.07Å; D169-E172 PolarHBondContact O-N 2.76Å; D169-L173 VanDerWaalsContact O-CB 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.35Å; D169-L173 WeakPolarHBondContact O-CG 3.4Å; D169-L173 PolarHBondContact O-N 3.48Å
170Q93.1Very high93.1Very high31 Ų3158.5 Ų58.515%0.14531%0.308CS..Hα-helixtrans-63.2-43.9175.5-78.9172.673.700111.4V161 T165 S166 I167 E168 S174 A183V161-Q170 HydrophobicContact CG2-CG 3.97Å; T165-Q170 HydrophobicContact CG2-CG 3.86Å; T165-Q170 PolarHBondContact O-NE2 3.39Å; S166-Q170 WeakPolarHBondContact O-CG 3.3Å; S166-Q170 PolarHBondContact O-N 3.34Å; S166-Q170 PolarHBondContact O-NE2 3.17Å; I167-Q170 WeakPolarHBondContact O-CB 3.47Å; I167-Q170 PolarHBondContact O-N 3.35Å; E168-Q170 VanDerWaalsContact C-N 3.31Å; E168-Q170 PolarHBondContact O-N 3.29Å; Q170-S174 WeakPolarHBondContact O-CB 3.33Å; Q170-S174 PolarHBondContact O-N 2.62Å; Q170-A183 VanDerWaalsContact OE1-N 3.13Å
171D93.5Very high93.1Very high100 Ų10059.2 Ų59.254%0.53531%0.312SS..Hα-helixtrans-68.2-38178.6-74-22.2000111.8I167 E168 S175I167-D171 PolarHBondContact O-N 3.49Å; E168-D171 PolarHBondContact O-N 3.17Å; D171-S175 WeakPolarHBondContact O-CB 3.46Å; D171-S175 PolarHBondContact O-N 3.2Å; D171-S175 PolarHBondContact O-OG 3.02Å
172E92.4Very high93Very high104 Ų10461.8 Ų61.849%0.48633%0.328SS..Hα-helixtrans-63.3-51.5173.6-174.2-178.2160.400111.1Q140 E168 D169 S174 S175 L176Q140-E172 PolarHBondContact NE2-OE1 3.15Å; E168-E172 PolarHBondContact O-N 3Å; D169-E172 PolarHBondContact O-N 2.76Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-S174 PolarHBondContact O-N 3.38Å; E172-S175 PolarHBondContact O-N 2.61Å; E172-L176 WeakPolarHBondContact O-CB 3.47Å; E172-L176 PolarHBondContact O-N 2.93Å
173L92.9Very high93Very high2 Ų262.9 Ų62.91%0.0134%0.338CS..Hα-helixtrans-63.5-38.2178.8-73.1170.8000111.8L116 Q140 V142 D169 S175 L176 L177 L181L116-L173 HydrophobicContact CD1-CD2 4.03Å; Q140-L173 HydrophobicContact CB-CD2 4.45Å; Q140-L173 HydrophobicContact CG-CD2 3.55Å; V142-L173 HydrophobicContact CG2-CD1 4.15Å; D169-L173 VanDerWaalsContact O-CB 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.35Å; D169-L173 WeakPolarHBondContact O-CG 3.4Å; D169-L173 PolarHBondContact O-N 3.48Å; L173-S175 VanDerWaalsContact C-N 3.35Å; L173-L176 PolarHBondContact O-N 3.4Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 2.88Å; L173-L181 HydrophobicContact CB-CD1 3.27Å; L173-L181 HydrophobicContact CD1-CD1 4.44Å; L173-L181 HydrophobicContact CG-CD1 4.46Å
174S93.4Very high93.1Very high34 Ų3461.4 Ų61.424%0.23833%0.331CS..Hα-helixtrans-63.9-41.7175.6178.20000111.1Q170 E172 L176 Q178 V179Q170-S174 WeakPolarHBondContact O-CB 3.33Å; Q170-S174 PolarHBondContact O-N 2.62Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-S174 PolarHBondContact O-N 3.38Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-Q178 VanDerWaalsContact O-CA 3.28Å; S174-Q178 WeakPolarHBondContact O-CA 3.33Å; S174-Q178 PolarHBondContact O-N 2.89Å; S174-V179 WeakPolarHBondContact CA-O 3.4Å; S174-V179 PolarHBondContact O-N 3.49Å; S174-V179 PolarHBondContact OG-O 3.1Å
175S92.6Very high93.2Very high78 Ų7856.5 Ų56.555%0.54531%0.313SS..Hα-helixtrans-67.7-34.1175.3-59.40000112.4D171 E172 L173 Q178D171-S175 WeakPolarHBondContact O-CB 3.46Å; D171-S175 PolarHBondContact O-N 3.2Å; D171-S175 PolarHBondContact O-OG 3.02Å; E172-S175 PolarHBondContact O-N 2.61Å; L173-S175 VanDerWaalsContact C-N 3.35Å; S175-Q178 PolarHBondContact O-NE2 3.06Å
176L92.1Very high93.3Very high43 Ų4356.1 Ų56.123%0.22531%0.31CS..Hα-helixtrans-74.9-47178.1-176.5156.8000111.5V114 L116 F138 E172 L173 S174 Q178V114-L176 HydrophobicContact CG1-CD2 4.14Å; L116-L176 HydrophobicContact CD2-CD2 3.77Å; F138-L176 HydrophobicContact CB-CD1 3.94Å; F138-L176 HydrophobicContact CB-CD2 3.94Å; F138-L176 HydrophobicContact CB-CG 4.42Å; F138-L176 HydrophobicContact CD1-CD1 3.96Å; F138-L176 HydrophobicContact CD1-CD2 4.34Å; F138-L176 HydrophobicContact CD1-CG 4.17Å; F138-L176 HydrophobicContact CD2-CD1 4.48Å; F138-L176 HydrophobicContact CD2-CD2 3.42Å; F138-L176 VanDerWaalsContact CD2-CD2 3.42Å; F138-L176 HydrophobicContact CD2-CG 4.08Å; F138-L176 HydrophobicContact CE1-CG 4.47Å; F138-L176 HydrophobicContact CE2-CD2 3.94Å; F138-L176 HydrophobicContact CE2-CG 4.37Å; F138-L176 HydrophobicContact CG-CD1 3.87Å; F138-L176 HydrophobicContact CG-CD2 3.64Å; F138-L176 HydrophobicContact CG-CG 3.96Å; E172-L176 WeakPolarHBondContact O-CB 3.47Å; E172-L176 PolarHBondContact O-N 2.93Å; L173-L176 PolarHBondContact O-N 3.4Å; S174-L176 VanDerWaalsContact C-N 3.34Å; L176-Q178 VanDerWaalsContact C-N 3.32Å
177L90.9Very high93.3Very high5 Ų554.9 Ų54.93%0.02630%0.3CS..Hα-helixtrans-79.8-14-178.9-63.2-179.7000113.5V114 L116 F154 L173 V179 L181V114-L177 HydrophobicContact CB-CD2 4Å; V114-L177 HydrophobicContact CG1-CD2 3.5Å; L116-L177 HydrophobicContact CD1-CD1 4.15Å; L116-L177 HydrophobicContact CD1-CD2 4.29Å; L116-L177 HydrophobicContact CD2-CD2 3.94Å; L116-L177 HydrophobicContact CG-CD2 3.95Å; F154-L177 HydrophobicContact CD1-CD1 4.28Å; F154-L177 HydrophobicContact CD2-CD1 4.22Å; F154-L177 HydrophobicContact CE1-CD1 4.38Å; F154-L177 HydrophobicContact CE2-CD1 4.36Å; F154-L177 HydrophobicContact CE2-CD2 4.01Å; F154-L177 HydrophobicContact CG-CD1 4.18Å; F154-L177 HydrophobicContact CZ-CD1 4.44Å; F154-L177 HydrophobicContact CZ-CD2 4.04Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 2.88Å; L177-V179 HydrophobicContact CB-CG2 3.77Å; L177-V179 HydrophobicContact CD1-CG2 4.39Å; L177-V179 PolarHBondContact O-N 3.14Å; L177-L181 HydrophobicContact CD1-CD1 4.09Å; L177-L181 HydrophobicContact CD1-CD2 4.14Å
178Q91.8Very high93.3Very high162 Ų16258.6 Ų58.676%0.75731%0.306SS*.THydrogen-bonded Turntrans5825.3-174.6-60.4-73.6-5000113.4S174 S175 L176S174-Q178 VanDerWaalsContact O-CA 3.28Å; S174-Q178 WeakPolarHBondContact O-CA 3.33Å; S174-Q178 PolarHBondContact O-N 2.89Å; S175-Q178 PolarHBondContact O-NE2 3.06Å; L176-Q178 VanDerWaalsContact C-N 3.32Å
179V93.4Very high93.2Very high12 Ų1253 Ų537%0.07329%0.291CS..SBendtrans-131.9147.1178.4-58.80000110.3N156 S174 L177 L181N156-V179 WeakPolarHBondContact O-CG1 3.37Å; S174-V179 WeakPolarHBondContact CA-O 3.4Å; S174-V179 PolarHBondContact O-N 3.49Å; S174-V179 PolarHBondContact OG-O 3.1Å; L177-V179 HydrophobicContact CB-CG2 3.77Å; L177-V179 HydrophobicContact CD1-CG2 4.39Å; L177-V179 PolarHBondContact O-N 3.14Å; V179-L181 HydrophobicContact CG2-CD2 4.24Å; V179-L181 PolarHBondContact O-N 2.92Å
180P93.3Very high93.3Very high55 Ų5551.7 Ų51.736%0.35729%0.287SS..  trans-64.4130.3177.627.3-35.1000110.9Q157 G158 G159Q157-P180 VanDerWaalsContact O-CD 3.29Å; Q157-P180 WeakPolarHBondContact O-CD 3.16Å; Q157-P180 WeakPolarHBondContact O-CG 3.38Å; G158-P180 CarbonylContact C-O 3.53Å; G158-P180 VanDerWaalsContact CA-O 3.24Å; G158-P180 WeakPolarHBondContact CA-O 3.31Å; G159-P180 PolarHBondContact N-O 3.41Å
181L94Very high93.2Very high18 Ų1853.9 Ų53.99%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-112.9144.3175.2-63.1179.2000111G159 V161 L173 L177 V179G159-L181 VanDerWaalsContact CA-CD2 3.46Å; G159-L181 WeakPolarHBondContact O-CA 3.48Å; V161-L181 HydrophobicContact CG1-CD1 4.21Å; V161-L181 HydrophobicContact CG1-CD2 4.39Å; L173-L181 HydrophobicContact CB-CD1 3.27Å; L173-L181 HydrophobicContact CD1-CD1 4.44Å; L173-L181 HydrophobicContact CG-CD1 4.46Å; L177-L181 HydrophobicContact CD1-CD1 4.09Å; L177-L181 HydrophobicContact CD1-CD2 4.14Å; V179-L181 HydrophobicContact CG2-CD2 4.24Å; V179-L181 PolarHBondContact O-N 2.92Å
182V94.6Very high93.3Very high54 Ų5451 Ų5133%0.32728%0.282SS..EExtended strand (participates in β ladder)trans-134.6136.9173.9173.40000109.5G159 L160 V161 V217 V221G159-V182 PolarHBondContact O-N 3.41Å; L160-V182 WeakPolarHBondContact CA-O 3.27Å; L160-V182 WeakPolarHBondContact CD1-O 3.49Å; V161-V182 PolarHBondContact N-O 3.38Å; V182-V217 HydrophobicContact CG1-CG1 4.11Å; V182-V221 HydrophobicContact CB-CG2 3.64Å; V182-V221 HydrophobicContact CG1-CG2 4.25Å; V182-V221 HydrophobicContact CG2-CG2 3.48Å; V182-V221 VanDerWaalsContact CG2-CG2 3.48Å
183A94.7Very high93.3Very high30 Ų3046 Ų4625%0.24826%0.259CS..EExtended strand (participates in β ladder)trans-76.1129.1168.200000110.9V161 Q170V161-A183 HydrophobicContact CG2-CB 4.12Å; Q170-A183 VanDerWaalsContact OE1-N 3.13Å
184G93.8Very high93.3Very high14 Ų1446.7 Ų46.714%0.14427%0.265CS..  trans-160.5-171.4179.300000113.1V161 P163 I193V161-G184 PolarHBondContact O-N 3.08Å; V161-G184 VanDerWaalsContact O-N 3.15Å; P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.25Å; G184-I193 WeakPolarHBondContact O-CD1 3.29Å
185T95.1Very high93.4Very high37 Ų3745.1 Ų45.123%0.22725%0.254CS..  trans-131.1163.6178.556.70000110.8P163 S190 E214P163-T185 HydrophobicContact CB-CG2 3.84Å; P163-T185 HydrophobicContact CG-CG2 3.78Å; T185-S190 WeakPolarHBondContact CB-O 3.38Å; T185-E214 WeakPolarHBondContact CB-OE1 3.43Å; T185-E214 WeakPolarHBondContact O-CG 3.48Å; T185-E214 PolarHBondContact OG1-OE1 3.36Å
186V94.3Very high93.4Very high0 Ų041.4 Ų41.40%023%0.228CC..BIsolated β-bridgetrans-128.2162.5174.2-64.40000109.3L160 R188 G189 S190 I193 M197 I218L160-V186 HydrophobicContact CD2-CG1 4.03Å; V186-R188 PolarHBondContact O-N 2.81Å; V186-G189 PolarHBondContact O-N 2.71Å; V186-S190 PolarHBondContact N-O 2.93Å; V186-S190 VanDerWaalsContact O-CA 3.32Å; V186-S190 WeakPolarHBondContact O-CA 3.31Å; V186-S190 WeakPolarHBondContact O-CB 3.46Å; V186-S190 PolarHBondContact O-N 2.79Å; V186-I193 HydrophobicContact CG1-CD1 4.32Å; V186-I193 HydrophobicContact CG1-CG2 4.41Å; V186-I193 HydrophobicContact CG2-CD1 4.34Å; V186-M197 HydrophobicContact CG1-CB 4.5Å; V186-M197 HydrophobicContact CG1-CG 4.15Å; V186-M197 HydrophobicContact CG1-SD 3.74Å; V186-I218 HydrophobicContact CG1-CD1 4.19Å
187N94.1Very high93.5Very high21 Ų2139.5 Ų39.511%0.11222%0.218CC..THydrogen-bonded Turntrans51.748.1175.1-67.5-30.9000114.5N11 G196 G207 D209 T210N11-N187 PolarHBondContact O-ND2 2.89Å; N187-G196 VanDerWaalsContact ND2-CA 3.28Å; N187-G196 WeakPolarHBondContact ND2-CA 3.06Å; N187-G207 WeakPolarHBondContact OD1-CA 3.04Å; N187-G207 PolarHBondContact OD1-N 3.12Å; N187-G207 PolarHBondContact OD1-O 3.23Å; N187-D209 HydrophobicContact CB-CB 4.45Å; N187-T210 PolarHBondContact N-OG1 3.08Å; N187-T210 VanDerWaalsContact N-OG1 3.14Å; N187-T210 PolarHBondContact OD1-OG1 3.46Å; N187-T210 VanDerWaalsContact OD1-OG1 3.04Å
188R93Very high93.7Very high208 Ų20840 Ų4079%0.78522%0.222SC*.THydrogen-bonded Turntrans63.450.6176-162.3-178.1178.7170.10.3112.6V186 D209 T211 E214V186-R188 PolarHBondContact O-N 2.81Å; R188-D209 PolarHBondContact N-O 3.05Å; R188-T211 HydrophobicContact CB-CG2 4.23Å; R188-T211 HydrophobicContact CG-CG2 4.11Å; R188-E214 PolarHBondContact N-OE1 3.35Å; R188-E214 PolarHBondContact N-OE2 3.21Å; R188-E214 VanDerWaalsContact N-OE2 3.08Å
189G91.9Very high93.8Very high42 Ų4233 Ų3343%0.43319%0.19SC..THydrogen-bonded Turntrans9513.9174.200000115.6V186 E214V186-G189 PolarHBondContact O-N 2.71Å; G189-E214 PolarHBondContact N-OE1 3.18Å
190S93.8Very high93.8Very high36 Ų3632.6 Ų32.625%0.25219%0.187SC..BIsolated β-bridgetrans-68.1132.6170.9-172.20000110.7T185 V186 V192T185-S190 WeakPolarHBondContact CB-O 3.38Å; V186-S190 PolarHBondContact N-O 2.93Å; V186-S190 VanDerWaalsContact O-CA 3.32Å; V186-S190 WeakPolarHBondContact O-CA 3.31Å; V186-S190 WeakPolarHBondContact O-CB 3.46Å; V186-S190 PolarHBondContact O-N 2.79Å; S190-V192 VanDerWaalsContact C-N 3.32Å; S190-V192 PolarHBondContact OG-N 3.5Å
191E92.4Very high93.7Very high76 Ų7631.5 Ų31.536%0.35518%0.178SC..SBendtrans-81.3-14.9178.7-56.4-174.2178.300112H162 P163 K164 I193H162-E191 IonicContact CE1-OE2 2.94Å; H162-E191 IonicContact NE2-OE2 2.67Å; H162-E191 PolarHBondContact NE2-OE2 3.14Å; P163-E191 HydrophobicContact CG-CB 4.43Å; P163-E191 HydrophobicContact CG-CG 4.07Å; K164-E191 IonicContact NZ-OE1 3.92Å; K164-E191 PolarHBondContact NZ-OE1 3.05Å; K164-E191 IonicContact NZ-OE2 2.79Å; K164-E191 PolarHBondContact NZ-OE2 3.46Å; E191-I193 PolarHBondContact O-N 2.83Å
192V93.8Very high93.4Very high39 Ų3933.9 Ų33.924%0.23619%0.186CC..  trans-92.681.9-175.8-162.60000110.4S150 Y151 S190 A194 A195 G196S150-V192 WeakPolarHBondContact O-CG1 3.34Å; Y151-V192 HydrophobicContact CE1-CG2 4.34Å; S190-V192 VanDerWaalsContact C-N 3.32Å; S190-V192 PolarHBondContact OG-N 3.5Å; V192-A194 PolarHBondContact O-N 2.95Å; V192-A195 HydrophobicContact CB-CB 4.02Å; V192-A195 HydrophobicContact CG1-CB 3.69Å; V192-A195 WeakPolarHBondContact O-CB 3.17Å; V192-A195 PolarHBondContact O-N 3.4Å; V192-G196 PolarHBondContact O-N 3.38Å
193I94.1Very high93.3Very high0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-57-54-172-53.4-52000112.4S150 A153 L160 G184 V186 E191 A195 G196 M197S150-I193 PolarHBondContact O-N 2.83Å; A153-I193 HydrophobicContact CB-CG2 3.85Å; L160-I193 HydrophobicContact CB-CG2 4.05Å; L160-I193 HydrophobicContact CD2-CD1 4.1Å; L160-I193 HydrophobicContact CD2-CG2 3.79Å; L160-I193 HydrophobicContact CG-CG2 4.17Å; G184-I193 WeakPolarHBondContact O-CD1 3.29Å; V186-I193 HydrophobicContact CG1-CD1 4.32Å; V186-I193 HydrophobicContact CG1-CG2 4.41Å; V186-I193 HydrophobicContact CG2-CD1 4.34Å; E191-I193 PolarHBondContact O-N 2.83Å; I193-A195 PolarHBondContact O-N 2.82Å; I193-G196 PolarHBondContact O-N 2.93Å; I193-M197 HydrophobicContact CG2-CG 4.18Å; I193-M197 HydrophobicContact CG2-SD 3.99Å; I193-M197 WeakPolarHBondContact O-CG 3.23Å; I193-M197 PolarHBondContact O-N 3.43Å; I193-M197 VanDerWaalsContact O-N 3.12Å
194A93.2Very high93.3Very high16 Ų1630.2 Ų30.213%0.13216%0.161CC..Hα-helixtrans-70.1-14.4-176.600000113.6G14 G149 S150 V192G14-A194 CarbonylContact C-O 3.56Å; G14-A194 WeakPolarHBondContact CA-O 3.28Å; G149-A194 WeakPolarHBondContact O-CB 3.46Å; S150-A194 PolarHBondContact O-N 3.3Å; S150-A194 VanDerWaalsContact O-N 3.13Å; V192-A194 PolarHBondContact O-N 2.95Å
195A93.6Very high93.3Very high1 Ų129.6 Ų29.61%0.00815%0.154CC..Hα-helixtrans-72.1-48.1167.900000110.1E12 I13 G14 V192 I193E12-A195 CarbonylContact C-O 3.57Å; E12-A195 WeakPolarHBondContact CA-O 3.29Å; E12-A195 HydrophobicContact CB-CB 4.04Å; E12-A195 HydrophobicContact CG-CB 3.86Å; I13-A195 PolarHBondContact N-O 3.26Å; I13-A195 VanDerWaalsContact N-O 3.14Å; G14-A195 WeakPolarHBondContact CA-O 3.48Å; G14-A195 PolarHBondContact N-O 2.86Å; V192-A195 HydrophobicContact CB-CB 4.02Å; V192-A195 HydrophobicContact CG1-CB 3.69Å; V192-A195 WeakPolarHBondContact O-CB 3.17Å; V192-A195 PolarHBondContact O-N 3.4Å; I193-A195 PolarHBondContact O-N 2.82Å
196G93.1Very high93.4Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-80.9-15.4-168.200000114.4N187 V192 I193 T206 G207N187-G196 VanDerWaalsContact ND2-CA 3.28Å; N187-G196 WeakPolarHBondContact ND2-CA 3.06Å; V192-G196 PolarHBondContact O-N 3.38Å; I193-G196 PolarHBondContact O-N 2.93Å; G196-T206 CarbonylContact O-C 3.56Å; G196-T206 WeakPolarHBondContact O-CA 3.44Å; G196-G207 PolarHBondContact O-N 3.26Å
197M94.7Very high93.4Very high3 Ų327.8 Ų27.82%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-149.3158.7-179.170.6-178.5-56.600114.7L160 V186 I193 V199 A204 F205 T206 I218 F222L160-M197 HydrophobicContact CD2-SD 3.96Å; V186-M197 HydrophobicContact CG1-CB 4.5Å; V186-M197 HydrophobicContact CG1-CG 4.15Å; V186-M197 HydrophobicContact CG1-SD 3.74Å; I193-M197 HydrophobicContact CG2-CG 4.18Å; I193-M197 HydrophobicContact CG2-SD 3.99Å; I193-M197 WeakPolarHBondContact O-CG 3.23Å; I193-M197 PolarHBondContact O-N 3.43Å; I193-M197 VanDerWaalsContact O-N 3.12Å; M197-V199 HydrophobicContact CE-CB 4.39Å; M197-A204 HydrophobicContact CE-CB 4.3Å; M197-F205 CarbonylContact C-O 3.52Å; M197-F205 WeakPolarHBondContact CA-O 3.14Å; M197-F205 WeakPolarHBondContact CB-O 3.36Å; M197-T206 HydrophobicContact CB-CG2 3.94Å; M197-T206 HydrophobicContact CE-CG2 4.24Å; M197-I218 HydrophobicContact CE-CB 4.42Å; M197-I218 HydrophobicContact CE-CD1 3.9Å; M197-I218 HydrophobicContact CE-CG1 4.01Å; M197-I218 HydrophobicContact CE-CG2 3.55Å; M197-I218 HydrophobicContact SD-CD1 3.95Å; M197-I218 HydrophobicContact SD-CG1 4.22Å; M197-F222 HydrophobicContact CE-CD2 4.46Å; M197-F222 HydrophobicContact CE-CE2 3.88Å
198V94.9Very high93.4Very high16 Ų1631.3 Ų31.310%0.09716%0.162CC..EExtended strand (participates in β ladder)trans-131.5147.3165.4-660000109I13 G14 L19 F38 A204 F205I13-V198 HydrophobicContact CG2-CG2 4.42Å; G14-V198 VanDerWaalsContact CA-CG1 3.46Å; L19-V198 HydrophobicContact CB-CB 3.97Å; L19-V198 HydrophobicContact CB-CG2 4.03Å; L19-V198 HydrophobicContact CD2-CG2 4.44Å; F38-V198 HydrophobicContact CE1-CG2 4.26Å; F38-V198 HydrophobicContact CZ-CG2 4.44Å; V198-A204 CarbonylContact O-C 3.57Å; V198-A204 WeakPolarHBondContact O-CA 3.39Å; V198-F205 HydrophobicContact CG2-CB 3.84Å; V198-F205 HydrophobicContact CG2-CD2 4.11Å; V198-F205 HydrophobicContact CG2-CG 4.42Å; V198-F205 PolarHBondContact N-O 3.05Å; V198-F205 PolarHBondContact O-N 2.98Å
199V94.7Very high93.5Very high16 Ų1625.8 Ų25.810%0.09715%0.148CC..EExtended strand (participates in β ladder)trans-146143.4-171.661.70000110.8M197 A204 F222M197-V199 HydrophobicContact CE-CB 4.39Å; V199-A204 HydrophobicContact CB-CB 4.17Å; V199-A204 HydrophobicContact CG2-CB 3.93Å; V199-F222 HydrophobicContact CB-CD1 4.47Å; V199-F222 HydrophobicContact CB-CE1 4.28Å; V199-F222 HydrophobicContact CB-CZ 4.42Å; V199-F222 HydrophobicContact CG1-CD1 4.19Å; V199-F222 HydrophobicContact CG1-CE1 3.59Å; V199-F222 HydrophobicContact CG1-CE2 4.49Å; V199-F222 HydrophobicContact CG1-CZ 3.78Å; V199-F222 HydrophobicContact CG2-CB 4.17Å; V199-F222 HydrophobicContact CG2-CD1 3.56Å; V199-F222 HydrophobicContact CG2-CD2 4.12Å; V199-F222 HydrophobicContact CG2-CE1 3.85Å; V199-F222 HydrophobicContact CG2-CE2 4.4Å; V199-F222 HydrophobicContact CG2-CG 3.7Å; V199-F222 HydrophobicContact CG2-CZ 4.27Å
200N92.8Very high93.6Very high2 Ų223.9 Ų23.91%0.01113%0.128CC..  trans-125.2-167.5163.469.78000109L19 N21 W202 C203L19-N200 HydrophobicContact CD2-CB 3.92Å; L19-N200 HydrophobicContact CG-CB 3.92Å; N21-N200 WeakPolarHBondContact OD1-CB 3.42Å; N200-W202 VanDerWaalsContact ND2-CZ2 3.32Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.33Å; N200-W202 PolarHBondContact O-N 2.97Å; N200-W202 PolarHBondContact OD1-N 2.86Å; N200-W202 VanDerWaalsContact OD1-N 3.1Å; N200-C203 PolarHBondContact N-O 3.3Å; N200-C203 WeakPolarHBondContact OD1-CA 3.37Å; N200-C203 PolarHBondContact OD1-N 3.26Å; N200-C203 PolarHBondContact OD1-O 2.81Å
201D90.8Very high93.7Very high32 Ų3224.3 Ų24.317%0.17113%0.129CC..SBendtrans-72.8-11.9-173.6-67.4-15.6000114.6N21 S155 N156 Q157N21-D201 PolarHBondContact ND2-OD2 3.17Å; N21-D201 PolarHBondContact OD1-N 2.86Å; S155-D201 WeakPolarHBondContact CB-OD1 3.44Å; N156-D201 WeakPolarHBondContact CB-OD1 3.23Å; N156-D201 PolarHBondContact N-OD1 3.24Å; N156-D201 PolarHBondContact ND2-OD2 2.95Å; Q157-D201 HydrophobicContact CG-CB 4.33Å
202W89.1Confident93.7Very high69 Ų6924.7 Ų24.726%0.26114%0.14SC..SBendtrans-130.9-20.5-175.961.792.3000115.2M1 N21 I46 N200 A227M1-W202 PolarHBondContact N-O 2.93Å; N21-W202 HydrophobicContact CB-CH2 4.37Å; N21-W202 HydrophobicContact CB-CZ3 4.15Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.13Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.16Å; I46-W202 HydrophobicContact CD1-CZ2 4.42Å; I46-W202 HydrophobicContact CG2-CH2 4.14Å; I46-W202 HydrophobicContact CG2-CZ2 3.96Å; N200-W202 VanDerWaalsContact ND2-CZ2 3.32Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.33Å; N200-W202 PolarHBondContact O-N 2.97Å; N200-W202 PolarHBondContact OD1-N 2.86Å; N200-W202 VanDerWaalsContact OD1-N 3.1Å; W202-A227 HydrophobicContact CB-CB 3.83Å
203C91.5Very high93.7Very high7 Ų727.7 Ų27.75%0.04716%0.159CC..  trans-133.9146-178.7-74.70000111.7L42 N200 F205L42-C203 HydrophobicContact CD2-CB 4.45Å; N200-C203 PolarHBondContact N-O 3.3Å; N200-C203 WeakPolarHBondContact OD1-CA 3.37Å; N200-C203 PolarHBondContact OD1-N 3.26Å; N200-C203 PolarHBondContact OD1-O 2.81Å; C203-F205 HydrophobicContact CB-CE2 4.32Å
204A94.3Very high93.7Very high0 Ų028.5 Ų28.50%016%0.162CC..EExtended strand (participates in β ladder)trans-130.6142.1167.600000109.8M1 A2 V3 M197 V198 V199 I218 L224M1-A204 PolarHBondContact O-N 2.76Å; M1-A204 VanDerWaalsContact O-N 3.15Å; A2-A204 CarbonylContact C-O 3.58Å; A2-A204 WeakPolarHBondContact CA-O 3.32Å; A2-A204 HydrophobicContact CB-CB 4.36Å; V3-A204 PolarHBondContact N-O 2.9Å; M197-A204 HydrophobicContact CE-CB 4.3Å; V198-A204 CarbonylContact O-C 3.57Å; V198-A204 WeakPolarHBondContact O-CA 3.39Å; V199-A204 HydrophobicContact CB-CB 4.17Å; V199-A204 HydrophobicContact CG2-CB 3.93Å; A204-I218 HydrophobicContact CB-CG2 4.16Å; A204-L224 HydrophobicContact CB-CD1 3.45Å; A204-L224 VanDerWaalsContact CB-CD1 3.45Å
205F95.1Very high93.7Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-115.7127.5172.4-59.8-90.7000108.9V3 I13 L19 V37 F38 E41 L42 M197 V198 C203V3-F205 HydrophobicContact CB-CD1 4.12Å; V3-F205 HydrophobicContact CB-CE1 4.28Å; V3-F205 CarbonylContact O-C 3.58Å; V3-F205 VanDerWaalsContact O-CA 3.31Å; V3-F205 WeakPolarHBondContact O-CA 3.4Å; I13-F205 HydrophobicContact CD1-CB 4.39Å; I13-F205 HydrophobicContact CG2-CB 4.44Å; L19-F205 HydrophobicContact CD2-CD2 3.86Å; L19-F205 HydrophobicContact CD2-CE2 3.89Å; V37-F205 HydrophobicContact CG1-CD1 3.86Å; V37-F205 HydrophobicContact CG1-CE1 3.84Å; F38-F205 HydrophobicContact CD1-CD1 4.35Å; F38-F205 HydrophobicContact CD1-CD2 4.08Å; F38-F205 HydrophobicContact CD1-CE1 4.18Å; F38-F205 AromaticContact CD1-CE2 3.9Å; F38-F205 HydrophobicContact CD1-CE2 3.9Å; F38-F205 HydrophobicContact CD1-CG 4.3Å; F38-F205 AromaticContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CE1-CB 4.27Å; F38-F205 HydrophobicContact CE1-CD1 4.15Å; F38-F205 AromaticContact CE1-CD2 3.64Å; F38-F205 HydrophobicContact CE1-CD2 3.64Å; F38-F205 HydrophobicContact CE1-CE1 4.41Å; F38-F205 AromaticContact CE1-CE2 3.94Å; F38-F205 HydrophobicContact CE1-CE2 3.94Å; F38-F205 AromaticContact CE1-CG 3.74Å; F38-F205 HydrophobicContact CE1-CG 3.74Å; F38-F205 HydrophobicContact CE1-CZ 4.31Å; F38-F205 HydrophobicContact CE2-CD1 4.42Å; F38-F205 HydrophobicContact CG-CE1 4.33Å; F38-F205 HydrophobicContact CG-CZ 4.41Å; F38-F205 HydrophobicContact CZ-CB 4.05Å; F38-F205 HydrophobicContact CZ-CD1 4.18Å; F38-F205 HydrophobicContact CZ-CD2 4.26Å; F38-F205 AromaticContact CZ-CG 3.89Å; F38-F205 HydrophobicContact CZ-CG 3.89Å; E41-F205 HydrophobicContact CB-CE1 4.42Å; E41-F205 HydrophobicContact CB-CZ 4Å; E41-F205 HydrophobicContact CG-CE1 4.34Å; E41-F205 HydrophobicContact CG-CZ 4.38Å; L42-F205 HydrophobicContact CD1-CE2 3.82Å; L42-F205 HydrophobicContact CD1-CZ 3.93Å; L42-F205 HydrophobicContact CD2-CE2 4.26Å; L42-F205 HydrophobicContact CD2-CZ 4.39Å; L42-F205 HydrophobicContact CG-CE2 4.15Å; L42-F205 HydrophobicContact CG-CZ 3.96Å; M197-F205 CarbonylContact C-O 3.52Å; M197-F205 WeakPolarHBondContact CA-O 3.14Å; M197-F205 WeakPolarHBondContact CB-O 3.36Å; V198-F205 HydrophobicContact CG2-CB 3.84Å; V198-F205 HydrophobicContact CG2-CD2 4.11Å; V198-F205 HydrophobicContact CG2-CG 4.42Å; V198-F205 PolarHBondContact N-O 3.05Å; V198-F205 PolarHBondContact O-N 2.98Å; C203-F205 HydrophobicContact CB-CE2 4.32Å
206T95.6Very high93.7Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-128.1153.8-17766.40000110.5V3 R4 A5 I13 G196 M197 L215 I218V3-T206 PolarHBondContact O-N 2.93Å; R4-T206 CarbonylContact C-O 3.56Å; R4-T206 VanDerWaalsContact CA-O 3.23Å; R4-T206 WeakPolarHBondContact CA-O 3.1Å; A5-T206 PolarHBondContact N-O 2.9Å; I13-T206 WeakPolarHBondContact CD1-O 3.2Å; G196-T206 CarbonylContact O-C 3.56Å; G196-T206 WeakPolarHBondContact O-CA 3.44Å; M197-T206 HydrophobicContact CB-CG2 3.94Å; M197-T206 HydrophobicContact CE-CG2 4.24Å; T206-L215 HydrophobicContact CG2-CD2 3.89Å; T206-L215 WeakPolarHBondContact OG1-CD2 3.37Å; T206-I218 HydrophobicContact CG2-CD1 3.86Å
207G94.8Very high93.7Very high0 Ų034.9 Ų34.90%020%0.202CC..EExtended strand (participates in β ladder)trans-60.9156175.700000114A5 N11 N187 G196 D209 T210A5-G207 CarbonylContact O-C 3.56Å; A5-G207 WeakPolarHBondContact O-CA 3.38Å; N11-G207 WeakPolarHBondContact O-CA 3.48Å; N187-G207 WeakPolarHBondContact OD1-CA 3.04Å; N187-G207 PolarHBondContact OD1-N 3.12Å; N187-G207 PolarHBondContact OD1-O 3.23Å; G196-G207 PolarHBondContact O-N 3.26Å; G207-D209 PolarHBondContact O-N 3.09Å; G207-T210 VanDerWaalsContact O-CB 3.3Å; G207-T210 WeakPolarHBondContact O-CB 3.33Å; G207-T210 PolarHBondContact O-N 2.95Å; G207-T210 PolarHBondContact O-OG1 3.46Å
208L93.9Very high93.6Very high94 Ų9434.8 Ų34.849%0.49220%0.201SC..THydrogen-bonded Turntrans-57.1-33.2-176.6-76.1175.5000113.8R4 A5 N11 T210R4-L208 HydrophobicContact CB-CD2 3.96Å; A5-L208 PolarHBondContact O-N 2.99Å; A5-L208 VanDerWaalsContact O-N 3.08Å; N11-L208 PolarHBondContact OD1-N 3.34Å; L208-T210 PolarHBondContact O-N 3.35Å
209D95.3Very high93.5Very high92 Ų9236.3 Ų36.349%0.49221%0.207SC..THydrogen-bonded Turntrans-76.1-5.8-178.4-72.6-10.2000113.4N11 N187 R188 G207 T211N11-D209 PolarHBondContact ND2-OD1 2.84Å; N11-D209 PolarHBondContact ND2-OD2 3.3Å; N187-D209 HydrophobicContact CB-CB 4.45Å; R188-D209 PolarHBondContact N-O 3.05Å; G207-D209 PolarHBondContact O-N 3.09Å; D209-T211 PolarHBondContact O-N 3.3Å; D209-T211 VanDerWaalsContact O-N 3.17Å
210T95.1Very high93.4Very high2 Ų239.8 Ų39.81%0.01223%0.233CC..  trans-63.1119.5179-56.90000110.1R4 N187 G207 L208 E214 L215 I218R4-T210 PolarHBondContact NE-O 2.95Å; R4-T210 PolarHBondContact NH2-O 3.49Å; N187-T210 PolarHBondContact N-OG1 3.08Å; N187-T210 VanDerWaalsContact N-OG1 3.14Å; N187-T210 PolarHBondContact OD1-OG1 3.46Å; N187-T210 VanDerWaalsContact OD1-OG1 3.04Å; G207-T210 VanDerWaalsContact O-CB 3.3Å; G207-T210 WeakPolarHBondContact O-CB 3.33Å; G207-T210 PolarHBondContact O-N 2.95Å; G207-T210 PolarHBondContact O-OG1 3.46Å; L208-T210 PolarHBondContact O-N 3.35Å; T210-E214 HydrophobicContact CG2-CB 3.63Å; T210-L215 HydrophobicContact CG2-CD2 3.8Å; T210-L215 HydrophobicContact CG2-CG 4.03Å; T210-I218 HydrophobicContact CG2-CD1 4.35Å
211T95.2Very high93.4Very high45 Ų4540.4 Ų40.428%0.27624%0.236SC..  trans-69.2157.2-174.861.30000111.2R188 D209 T213 E214 L215R188-T211 HydrophobicContact CB-CG2 4.23Å; R188-T211 HydrophobicContact CG-CG2 4.11Å; D209-T211 PolarHBondContact O-N 3.3Å; D209-T211 VanDerWaalsContact O-N 3.17Å; T211-T213 PolarHBondContact O-N 3.06Å; T211-T213 PolarHBondContact OG1-OG1 3.47Å; T211-E214 PolarHBondContact N-OE2 3.17Å; T211-E214 PolarHBondContact O-N 3.2Å; T211-E214 VanDerWaalsContact O-N 3.16Å; T211-E214 WeakPolarHBondContact OG1-CB 3.44Å; T211-E214 VanDerWaalsContact OG1-CD 3.26Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.75Å; T211-E214 PolarHBondContact OG1-OE2 3.34Å; T211-L215 PolarHBondContact O-N 3Å
212S92.6Very high93.5Very high84 Ų8438.9 Ų38.959%0.58723%0.228SC*.Hα-helixtrans-61.4-31.2178.5-55.90000112.6S216S212-S216 PolarHBondContact O-N 2.63Å; S212-S216 PolarHBondContact O-OG 3.29Å; S212-S216 VanDerWaalsContact O-OG 3.05Å
213T93.1Very high93.6Very high103 Ų10341.3 Ų41.363%0.63224%0.237SC*.Hα-helixtrans-67.1-43.7174.244.10000112.1T211 S216 V217T211-T213 PolarHBondContact O-N 3.06Å; T211-T213 PolarHBondContact OG1-OG1 3.47Å; T213-S216 PolarHBondContact O-N 2.97Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 2.97Å
214E94.8Very high93.3Very high17 Ų1741.2 Ų41.28%0.07924%0.236CC..Hα-helixtrans-63.7-42.5175.1-71.6166145.400110.8T185 R188 G189 T210 T211 S216 V217 I218T185-E214 WeakPolarHBondContact CB-OE1 3.43Å; T185-E214 WeakPolarHBondContact O-CG 3.48Å; T185-E214 PolarHBondContact OG1-OE1 3.36Å; R188-E214 PolarHBondContact N-OE1 3.35Å; R188-E214 PolarHBondContact N-OE2 3.21Å; R188-E214 VanDerWaalsContact N-OE2 3.08Å; G189-E214 PolarHBondContact N-OE1 3.18Å; T210-E214 HydrophobicContact CG2-CB 3.63Å; T211-E214 PolarHBondContact N-OE2 3.17Å; T211-E214 PolarHBondContact O-N 3.2Å; T211-E214 VanDerWaalsContact O-N 3.16Å; T211-E214 WeakPolarHBondContact OG1-CB 3.44Å; T211-E214 VanDerWaalsContact OG1-CD 3.26Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.75Å; T211-E214 PolarHBondContact OG1-OE2 3.34Å; E214-S216 PolarHBondContact O-N 3.36Å; E214-V217 PolarHBondContact O-N 2.94Å; E214-I218 WeakPolarHBondContact O-CG1 3.32Å; E214-I218 PolarHBondContact O-N 3.45Å
215L93.6Very high91.9Very high15 Ų1545.2 Ų45.28%0.07927%0.265CS..Hα-helixtrans-59.8-44.9175.4-75.9-169.2000112.8A2 R4 T206 T210 T211 V217 I218 E219A2-L215 HydrophobicContact CB-CD2 3.92Å; R4-L215 HydrophobicContact CG-CD1 4.24Å; T206-L215 HydrophobicContact CG2-CD2 3.89Å; T206-L215 WeakPolarHBondContact OG1-CD2 3.37Å; T210-L215 HydrophobicContact CG2-CD2 3.8Å; T210-L215 HydrophobicContact CG2-CG 4.03Å; T211-L215 PolarHBondContact O-N 3Å; L215-V217 VanDerWaalsContact C-N 3.26Å; L215-V217 PolarHBondContact O-N 3.4Å; L215-I218 PolarHBondContact O-N 2.96Å; L215-I218 VanDerWaalsContact O-N 3.16Å; L215-E219 WeakPolarHBondContact O-CG 3.15Å; L215-E219 PolarHBondContact O-N 2.9Å
216S92.6Very high89.9Confident75 Ų7551.5 Ų51.552%0.52429%0.294SS..Hα-helixtrans-63.2-33.8178.9-61.60000112.5S212 T213 E214 S220S212-S216 PolarHBondContact O-N 2.63Å; S212-S216 PolarHBondContact O-OG 3.29Å; S212-S216 VanDerWaalsContact O-OG 3.05Å; T213-S216 PolarHBondContact O-N 2.97Å; E214-S216 PolarHBondContact O-N 3.36Å; S216-S220 VanDerWaalsContact O-CB 3.29Å; S216-S220 WeakPolarHBondContact O-CB 3.32Å; S216-S220 PolarHBondContact O-N 2.82Å; S216-S220 VanDerWaalsContact O-N 3.17Å
217V93.3Very high87.6Confident60 Ų6054 Ų5436%0.36432%0.315SS..Hα-helixtrans-66.4-47.7172.91740000110.3L160 V182 T213 E214 L215 E219 S220 V221L160-V217 HydrophobicContact CD1-CG1 4.35Å; V182-V217 HydrophobicContact CG1-CG1 4.11Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 2.97Å; E214-V217 PolarHBondContact O-N 2.94Å; L215-V217 VanDerWaalsContact C-N 3.26Å; L215-V217 PolarHBondContact O-N 3.4Å; V217-E219 PolarHBondContact O-N 3.3Å; V217-S220 PolarHBondContact O-N 2.91Å; V217-V221 HydrophobicContact CG1-CG2 4.14Å; V217-V221 WeakPolarHBondContact O-CB 3.31Å; V217-V221 VanDerWaalsContact O-CG2 3.24Å; V217-V221 WeakPolarHBondContact O-CG2 3.35Å; V217-V221 PolarHBondContact O-N 3.35Å
218I93.6Very high85.4Confident1 Ų161.7 Ų61.71%0.00535%0.351CS..Hα-helixtrans-58.2-50.4178.3-71.4164.7000110.9A2 L160 V186 M197 A204 T206 T210 E214 L215 S220 V221 F222 L224A2-I218 HydrophobicContact CB-CG2 4.46Å; L160-I218 HydrophobicContact CD2-CG1 4.19Å; V186-I218 HydrophobicContact CG1-CD1 4.19Å; M197-I218 HydrophobicContact CE-CB 4.42Å; M197-I218 HydrophobicContact CE-CD1 3.9Å; M197-I218 HydrophobicContact CE-CG1 4.01Å; M197-I218 HydrophobicContact CE-CG2 3.55Å; M197-I218 HydrophobicContact SD-CD1 3.95Å; M197-I218 HydrophobicContact SD-CG1 4.22Å; A204-I218 HydrophobicContact CB-CG2 4.16Å; T206-I218 HydrophobicContact CG2-CD1 3.86Å; T210-I218 HydrophobicContact CG2-CD1 4.35Å; E214-I218 WeakPolarHBondContact O-CG1 3.32Å; E214-I218 PolarHBondContact O-N 3.45Å; L215-I218 PolarHBondContact O-N 2.96Å; L215-I218 VanDerWaalsContact O-N 3.16Å; I218-S220 VanDerWaalsContact C-N 3.27Å; I218-S220 PolarHBondContact O-N 3.49Å; I218-V221 PolarHBondContact O-N 3.44Å; I218-F222 HydrophobicContact CG2-CD2 3.89Å; I218-F222 HydrophobicContact CG2-CE2 4.31Å; I218-F222 WeakPolarHBondContact O-CB 3.39Å; I218-F222 VanDerWaalsContact O-CD2 3.27Å; I218-F222 WeakPolarHBondContact O-CD2 3.22Å; I218-F222 PolarHBondContact O-N 2.87Å; I218-L224 HydrophobicContact CG2-CD1 4.41Å
219E92.4Very high83Confident48 Ų4861.8 Ų61.822%0.22436%0.357CS..Hα-helixtrans-62-35.6-179.1-71.4-176.5149.200112.8A2 L215 V217 R223 L224A2-E219 HydrophobicContact CB-CG 3.59Å; A2-E219 PolarHBondContact N-OE1 2.98Å; A2-E219 VanDerWaalsContact N-OE1 3.07Å; L215-E219 WeakPolarHBondContact O-CG 3.15Å; L215-E219 PolarHBondContact O-N 2.9Å; V217-E219 PolarHBondContact O-N 3.3Å; E219-R223 WeakPolarHBondContact O-CA 3.36Å; E219-R223 PolarHBondContact O-N 2.82Å; E219-L224 HydrophobicContact CG-CD1 4.39Å; E219-L224 PolarHBondContact O-N 3.4Å; E219-L224 VanDerWaalsContact O-N 3.1Å
220S92Very high80.6Confident90 Ų9061.4 Ų61.463%0.62936%0.361SS*.Hα-helixtrans-69.7-50.3176.7-177.40000112S216 V217 I218 F222 R223S216-S220 VanDerWaalsContact O-CB 3.29Å; S216-S220 WeakPolarHBondContact O-CB 3.32Å; S216-S220 PolarHBondContact O-N 2.82Å; S216-S220 VanDerWaalsContact O-N 3.17Å; V217-S220 PolarHBondContact O-N 2.91Å; I218-S220 VanDerWaalsContact C-N 3.27Å; I218-S220 PolarHBondContact O-N 3.49Å; S220-F222 PolarHBondContact O-N 3.25Å; S220-R223 PolarHBondContact O-N 3.46Å
221V93.1Very high78.1Confident14 Ų1464.7 Ų64.79%0.08539%0.389CS..Hα-helixtrans-64.8-43.5-176169.80000111.6G159 V182 V217 I218 R223G159-V221 VanDerWaalsContact O-CG1 3.29Å; G159-V221 WeakPolarHBondContact O-CG1 3.04Å; V182-V221 HydrophobicContact CB-CG2 3.64Å; V182-V221 HydrophobicContact CG1-CG2 4.25Å; V182-V221 HydrophobicContact CG2-CG2 3.48Å; V182-V221 VanDerWaalsContact CG2-CG2 3.48Å; V217-V221 HydrophobicContact CG1-CG2 4.14Å; V217-V221 WeakPolarHBondContact O-CB 3.31Å; V217-V221 VanDerWaalsContact O-CG2 3.24Å; V217-V221 WeakPolarHBondContact O-CG2 3.35Å; V217-V221 PolarHBondContact O-N 3.35Å; I218-V221 PolarHBondContact O-N 3.44Å; V221-R223 VanDerWaalsContact C-N 3.31Å
222F92.8Very high76Confident0 Ų067.8 Ų67.80%040%0.403CS..THydrogen-bonded Turntrans-882.3-179.4-67.7-75000113.5A153 S155 G158 L160 M197 V199 I218 S220 L224A153-F222 WeakPolarHBondContact O-CZ 3.4Å; S155-F222 WeakPolarHBondContact OG-CD1 3.39Å; G158-F222 WeakPolarHBondContact O-CD1 3.29Å; G158-F222 WeakPolarHBondContact O-CE1 3.28Å; L160-F222 HydrophobicContact CB-CE2 4.09Å; L160-F222 HydrophobicContact CB-CZ 4.17Å; M197-F222 HydrophobicContact CE-CD2 4.46Å; M197-F222 HydrophobicContact CE-CE2 3.88Å; V199-F222 HydrophobicContact CB-CD1 4.47Å; V199-F222 HydrophobicContact CB-CE1 4.28Å; V199-F222 HydrophobicContact CB-CZ 4.42Å; V199-F222 HydrophobicContact CG1-CD1 4.19Å; V199-F222 HydrophobicContact CG1-CE1 3.59Å; V199-F222 HydrophobicContact CG1-CE2 4.49Å; V199-F222 HydrophobicContact CG1-CZ 3.78Å; V199-F222 HydrophobicContact CG2-CB 4.17Å; V199-F222 HydrophobicContact CG2-CD1 3.56Å; V199-F222 HydrophobicContact CG2-CD2 4.12Å; V199-F222 HydrophobicContact CG2-CE1 3.85Å; V199-F222 HydrophobicContact CG2-CE2 4.4Å; V199-F222 HydrophobicContact CG2-CG 3.7Å; V199-F222 HydrophobicContact CG2-CZ 4.27Å; I218-F222 HydrophobicContact CG2-CD2 3.89Å; I218-F222 HydrophobicContact CG2-CE2 4.31Å; I218-F222 WeakPolarHBondContact O-CB 3.39Å; I218-F222 VanDerWaalsContact O-CD2 3.27Å; I218-F222 WeakPolarHBondContact O-CD2 3.22Å; I218-F222 PolarHBondContact O-N 2.87Å; S220-F222 PolarHBondContact O-N 3.25Å; F222-L224 HydrophobicContact CB-CD1 4.2Å; F222-L224 HydrophobicContact CB-CD2 3.88Å; F222-L224 HydrophobicContact CB-CG 3.74Å; F222-L224 PolarHBondContact O-N 2.96Å
223R90.1Very high73.9Confident120 Ų12066.6 Ų66.645%0.45340%0.398SS..THydrogen-bonded Turntrans52.535179.4-55.7-173.3-177.3-1752.1114.3E219 S220 V221 S225 E226E219-R223 WeakPolarHBondContact O-CA 3.36Å; E219-R223 PolarHBondContact O-N 2.82Å; S220-R223 PolarHBondContact O-N 3.46Å; V221-R223 VanDerWaalsContact C-N 3.31Å; R223-S225 PolarHBondContact O-N 2.87Å; R223-E226 PolarHBondContact O-N 3.48Å; R223-E226 VanDerWaalsContact O-N 3.09Å
224L85.2Confident72Confident5 Ų565.2 Ų65.23%0.02639%0.389CS..THydrogen-bonded Turntrans-68.8-20.6-173.4-57.4175.9000113.4A2 A204 I218 E219 F222A2-L224 HydrophobicContact CB-CD1 4.3Å; A204-L224 HydrophobicContact CB-CD1 3.45Å; A204-L224 VanDerWaalsContact CB-CD1 3.45Å; I218-L224 HydrophobicContact CG2-CD1 4.41Å; E219-L224 HydrophobicContact CG-CD1 4.39Å; E219-L224 PolarHBondContact O-N 3.4Å; E219-L224 VanDerWaalsContact O-N 3.1Å; F222-L224 HydrophobicContact CB-CD1 4.2Å; F222-L224 HydrophobicContact CB-CD2 3.88Å; F222-L224 HydrophobicContact CB-CG 3.74Å; F222-L224 PolarHBondContact O-N 2.96Å
225S65.4Low69.9Low85 Ų8568.9 Ų68.959%0.59441%0.413SS*.THydrogen-bonded Turntrans-80-22.2176.3-62.40000112.8R223 A227R223-S225 PolarHBondContact O-N 2.87Å; S225-A227 VanDerWaalsContact C-N 3.33Å
226E53.4Low67.9Low132 Ų13273.9 Ų73.962%0.61744%0.437SS*.THydrogen-bonded Turntrans-86.4-4.7177.6-65.5-172.9165.200112.8R223 Q228 P229R223-E226 PolarHBondContact O-N 3.48Å; R223-E226 VanDerWaalsContact O-N 3.09Å; E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-P229 WeakPolarHBondContact O-CD 3.41Å; E226-P229 WeakPolarHBondContact O-CG 3.4Å
227A48Very low66Low53 Ų5379 Ų7944%0.43845%0.445SS..THydrogen-bonded Turntrans-81.8-4.5175.200000113.7W202 S225W202-A227 HydrophobicContact CB-CB 3.83Å; S225-A227 VanDerWaalsContact C-N 3.33Å
228Q48.8Very low64.2Low161 Ų16180.8 Ų80.875%0.75245%0.453SS*.  trans-121.790.5160.5-80.2-163.6-6.700112.3E226E226-Q228 VanDerWaalsContact C-N 3.3Å
229P42.3Very low62.7Low95 Ų9584.2 Ų84.262%0.61748%0.477SS*.  trans-147.88015930.8-6.2000110.7E226E226-P229 WeakPolarHBondContact O-CD 3.41Å; E226-P229 WeakPolarHBondContact O-CG 3.4Å
230S44.7Very low61.2Low84 Ų8487 Ų8759%0.58749%0.493SS*.SBendtrans-161.7-37.8158.1530000114.2T234S230-T234 VanDerWaalsContact O-CB 3.27Å; S230-T234 WeakPolarHBondContact O-CB 3.17Å; S230-T234 PolarHBondContact O-N 3.09Å; S230-T234 PolarHBondContact O-OG1 2.91Å
231A42.7Very low60Low72 Ų7288.1 Ų88.160%0.59549%0.49SS*.Hα-helixtrans-66.2-46.1-177.400000112.6T235A231-T235 WeakPolarHBondContact O-CB 3.4Å; A231-T235 PolarHBondContact O-N 2.64Å; A231-T235 VanDerWaalsContact O-N 3.15Å; A231-T235 PolarHBondContact O-OG1 3.21Å
232I51.1Low58.5Low110 Ų11094 Ų9456%0.56452%0.521SS*.Hα-helixtrans-76.3-41.5-174-60171.6000112.1T234 T235 M236I232-T234 PolarHBondContact O-N 3.45Å; I232-T235 PolarHBondContact O-N 2.88Å; I232-M236 HydrophobicContact CG2-CE 3.83Å; I232-M236 WeakPolarHBondContact O-CG 3.4Å; I232-M236 PolarHBondContact O-N 2.72Å
233A48.9Very low56.8Low59 Ų5998.1 Ų98.149%0.48855%0.55SS.*Hα-helixtrans-70.2-31.3-179.500000113.1R237A233-R237 PolarHBondContact O-N 2.95Å
234T53.3Low55.1Low73 Ų7399.6 Ų99.645%0.44857%0.566SS.*Hα-helixtrans-75-43.8175.7-43.40000110.3S230 I232 M236 R237 D238S230-T234 VanDerWaalsContact O-CB 3.27Å; S230-T234 WeakPolarHBondContact O-CB 3.17Å; S230-T234 PolarHBondContact O-N 3.09Å; S230-T234 PolarHBondContact O-OG1 2.91Å; I232-T234 PolarHBondContact O-N 3.45Å; T234-M236 VanDerWaalsContact C-N 3.32Å; T234-M236 PolarHBondContact O-N 3.26Å; T234-R237 PolarHBondContact O-N 2.89Å; T234-R237 VanDerWaalsContact O-N 3.11Å; T234-D238 PolarHBondContact O-N 3.45Å
235T51.7Low53.2Low95 Ų95106.1 Ų106.158%0.58362%0.621SS**Hα-helixtrans-61.5-38.8176.9-46.20000112.1A231 I232 S239A231-T235 WeakPolarHBondContact O-CB 3.4Å; A231-T235 PolarHBondContact O-N 2.64Å; A231-T235 VanDerWaalsContact O-N 3.15Å; A231-T235 PolarHBondContact O-OG1 3.21Å; I232-T235 PolarHBondContact O-N 2.88Å; T235-S239 WeakPolarHBondContact O-CB 3.49Å; T235-S239 PolarHBondContact O-N 3.3Å; T235-S239 VanDerWaalsContact O-N 3.1Å; T235-S239 PolarHBondContact O-OG 3.27Å
236M50.4Low52.6Low119 Ų119107.2 Ų107.259%0.58662%0.622SS**Hα-helixtrans-70.2-32.4175.5-72.6-161.6-167.800113.3I232 T234 S239 L240I232-M236 HydrophobicContact CG2-CE 3.83Å; I232-M236 WeakPolarHBondContact O-CG 3.4Å; I232-M236 PolarHBondContact O-N 2.72Å; T234-M236 VanDerWaalsContact C-N 3.32Å; T234-M236 PolarHBondContact O-N 3.26Å; M236-S239 WeakPolarHBondContact CA-OG 3.26Å; M236-S239 PolarHBondContact O-OG 3.37Å; M236-L240 WeakPolarHBondContact O-CB 3.43Å; M236-L240 WeakPolarHBondContact O-CD1 3.36Å; M236-L240 WeakPolarHBondContact O-CG 3.49Å; M236-L240 PolarHBondContact O-N 2.72Å
237R53Low52.6Low182 Ų182105.8 Ų105.869%0.68762%0.622SS**Hα-helixtrans-71.7-43.5174.5-87.9-175176.6148.70.6112A233 T234 S239 L240 I241A233-R237 PolarHBondContact O-N 2.95Å; T234-R237 PolarHBondContact O-N 2.89Å; T234-R237 VanDerWaalsContact O-N 3.11Å; R237-S239 VanDerWaalsContact C-N 3.35Å; R237-S239 PolarHBondContact O-N 3.13Å; R237-L240 PolarHBondContact O-N 2.78Å; R237-I241 VanDerWaalsContact O-CG1 3.27Å; R237-I241 WeakPolarHBondContact O-CG1 3.36Å; R237-I241 PolarHBondContact O-N 3.14Å
238D55.9Low52.8Low99 Ų99108.8 Ų108.853%0.52963%0.633SS.*Hα-helixtrans-65-40.7179.9-70.7-18.9000111.2T234 L240 I241 D242T234-D238 PolarHBondContact O-N 3.45Å; D238-L240 PolarHBondContact O-N 3.44Å; D238-I241 PolarHBondContact O-N 2.81Å; D238-D242 PolarHBondContact O-N 3.22Å
239S62.7Low53.1Low73 Ų73105.7 Ų105.751%0.5163%0.626SS.*Hα-helixtrans-70.5-27176450000114.2T235 M236 R237 S243T235-S239 WeakPolarHBondContact O-CB 3.49Å; T235-S239 PolarHBondContact O-N 3.3Å; T235-S239 VanDerWaalsContact O-N 3.1Å; T235-S239 PolarHBondContact O-OG 3.27Å; M236-S239 WeakPolarHBondContact CA-OG 3.26Å; M236-S239 PolarHBondContact O-OG 3.37Å; R237-S239 VanDerWaalsContact C-N 3.35Å; R237-S239 PolarHBondContact O-N 3.13Å; S239-S243 PolarHBondContact O-N 2.9Å
240L59.9Low53.7Low107 Ų107106.4 Ų106.456%0.5663%0.626SS**Hα-helixtrans-74.3-37.6171.4-82.1163.7000112.3M236 R237 D238 S243M236-L240 WeakPolarHBondContact O-CB 3.43Å; M236-L240 WeakPolarHBondContact O-CD1 3.36Å; M236-L240 WeakPolarHBondContact O-CG 3.49Å; M236-L240 PolarHBondContact O-N 2.72Å; R237-L240 PolarHBondContact O-N 2.78Å; D238-L240 PolarHBondContact O-N 3.44Å; L240-S243 PolarHBondContact O-N 3.13Å; L240-S243 PolarHBondContact O-OG 3.38Å
241I67.5Low54.3Low112 Ų112107.9 Ų107.957%0.57463%0.629SS**Hα-helixtrans-69.1-39.1179.3-67.9165.5000111R237 D238 S243 L244 A245R237-I241 VanDerWaalsContact O-CG1 3.27Å; R237-I241 WeakPolarHBondContact O-CG1 3.36Å; R237-I241 PolarHBondContact O-N 3.14Å; D238-I241 PolarHBondContact O-N 2.81Å; I241-S243 PolarHBondContact O-N 3.17Å; I241-L244 PolarHBondContact O-N 2.89Å; I241-A245 PolarHBondContact O-N 2.81Å
242D60.9Low55.2Low138 Ų138110.4 Ų110.474%0.73863%0.631SS**Hα-helixtrans-70.7-20.1178.5-145.424.8000112.8D238D238-D242 PolarHBondContact O-N 3.22Å
243S57.5Low55.5Low87 Ų87110.5 Ų110.561%0.60864%0.636SS**THydrogen-bonded Turntrans-83.2-10.6173.873.70000114.4S239 L240 I241S239-S243 PolarHBondContact O-N 2.9Å; L240-S243 PolarHBondContact O-N 3.13Å; L240-S243 PolarHBondContact O-OG 3.38Å; I241-S243 PolarHBondContact O-N 3.17Å
244L53.3Low56Low150 Ų150114.8 Ų114.879%0.78565%0.649SS**  trans-110.91.1-177.6-75.8165.2000113.1I241I241-L244 PolarHBondContact O-N 2.89Å
245A46.3Very low56.3Low142 Ų142118.5 Ų118.5100%1.17467%0.667SS**  trans-97.10176.700000112.5I241I241-A245 PolarHBondContact O-N 2.81Å

Retrieved 245 of 245 residues in 157.1 ms (Link to these results)

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