A0A087XMH3_POEFO Loading...

FMR1 autosomal homolog 2

AlphaFold DB , UniProt , Accession A0A087XMH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 656 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
1M50.8Low83.6Confident102 Ų10252.2 Ų52.250%0.50230%0.299SS..  0104.90-102.1-155.9-178.100105F19 V31 N35M1-F19 HydrophobicContact CB-CD2 4.49Å; M1-F19 HydrophobicContact CB-CE2 4.34Å; M1-F19 HydrophobicContact CB-CZ 4.47Å; M1-F19 HydrophobicContact SD-CD2 3.68Å; M1-F19 HydrophobicContact SD-CE2 3.57Å; M1-F19 VanDerWaalsContact SD-CE2 3.57Å; M1-F19 HydrophobicContact SD-CZ 4.49Å; M1-V31 HydrophobicContact CE-CG1 4.24Å; M1-N35 WeakPolarHBondContact CE-OD1 3.26Å
2D62.8Low83.7Confident110 Ų11051.8 Ų51.859%0.58830%0.296SS*.  trans-122.1102-145.5-46-60.9000105.5
3G73.8Confident83.9Confident16 Ų1650.2 Ų50.217%0.16530%0.297CS..SBendtrans170.7179.2-166.100000110.8I20 C158G3-I20 WeakPolarHBondContact CA-O 3.43Å; G3-C158 PolarHBondContact N-SG 3.4Å; G3-C158 VanDerWaalsContact N-SG 3.37Å
4L88.3Confident84.4Confident21 Ų2146.6 Ų46.611%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-93.3119.4176.5173.350.6000110.1F19 I20 F126 N157 T173L4-F19 CarbonylContact O-C 3.58Å; L4-F19 WeakPolarHBondContact O-CA 3.26Å; L4-I20 HydrophobicContact CB-CB 4.38Å; L4-I20 HydrophobicContact CB-CD1 4.49Å; L4-I20 HydrophobicContact CD2-CD1 4.4Å; L4-I20 HydrophobicContact CG-CD1 4.48Å; L4-I20 PolarHBondContact O-N 3.39Å; L4-F126 HydrophobicContact CD2-CD1 3.72Å; L4-F126 HydrophobicContact CD2-CE1 3.65Å; L4-F126 HydrophobicContact CG-CE1 4.43Å; L4-N157 HydrophobicContact CD1-CB 3.89Å; L4-N157 HydrophobicContact CD2-CB 4.03Å; L4-N157 HydrophobicContact CG-CB 4.44Å; L4-T173 HydrophobicContact CD2-CG2 3.7Å
5A91.8Very high85.1Confident39 Ų3945.9 Ų45.932%0.32227%0.268SS..EExtended strand (participates in β ladder)trans-64.4132.7177.700000112G18 F19A5-G18 WeakPolarHBondContact CA-O 3.37Å; A5-F19 HydrophobicContact CB-CD1 4.04Å; A5-F19 HydrophobicContact CB-CE1 3.94Å
6V94.4Very high85.6Confident2 Ų243.6 Ų43.61%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-142.1162-178.6-72.30000111.2V8 G18 I20 I30 V47 F126V6-V8 HydrophobicContact CG2-CG2 3.88Å; V6-G18 PolarHBondContact N-O 3.14Å; V6-G18 PolarHBondContact O-N 3.02Å; V6-G18 VanDerWaalsContact O-O 3.14Å; V6-I20 HydrophobicContact CG1-CD1 3.76Å; V6-I20 HydrophobicContact CG1-CG1 3.92Å; V6-I20 HydrophobicContact CG2-CG1 3.98Å; V6-I30 HydrophobicContact CG2-CD1 3.86Å; V6-V47 HydrophobicContact CB-CG1 3.73Å; V6-V47 HydrophobicContact CG1-CG1 3.97Å; V6-V47 HydrophobicContact CG2-CG1 3.89Å; V6-F126 HydrophobicContact CG1-CE1 4.17Å; V6-F126 HydrophobicContact CG1-CZ 3.8Å
7E95.5Very high86.1Confident9 Ų946.8 Ų46.84%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-105.3135170.4-68.8-175.7175.100110F15 Y16 V47 R48 P50 P51 R113 N116E7-F15 HydrophobicContact CB-CB 4.33Å; E7-F15 HydrophobicContact CB-CD1 4.32Å; E7-Y16 CarbonylContact C-O 3.49Å; E7-Y16 WeakPolarHBondContact CA-O 3.49Å; E7-V47 CarbonylContact O-C 3.56Å; E7-V47 WeakPolarHBondContact O-CA 3.44Å; E7-R48 HydrophobicContact CB-CG 3.85Å; E7-R48 PolarHBondContact N-O 3.46Å; E7-R48 PolarHBondContact O-N 3.36Å; E7-R48 IonicContact OE2-CZ 3.83Å; E7-R48 VanDerWaalsContact OE2-CZ 3.26Å; E7-R48 IonicContact OE2-NE 3.71Å; E7-R48 PolarHBondContact OE2-NE 3.24Å; E7-R48 IonicContact OE2-NH2 3.2Å; E7-R48 PolarHBondContact OE2-NH2 2.96Å; E7-P50 HydrophobicContact CG-CB 4.22Å; E7-P51 VanDerWaalsContact OE1-CD 3.29Å; E7-P51 WeakPolarHBondContact OE1-CD 3.44Å; E7-R113 IonicContact OE1-CZ 2.8Å; E7-R113 VanDerWaalsContact OE1-CZ 3.23Å; E7-R113 IonicContact OE1-NH1 2.68Å; E7-R113 PolarHBondContact OE1-NH1 3.47Å; E7-R113 IonicContact OE1-NH2 2.7Å; E7-R113 PolarHBondContact OE1-NH2 3.49Å; E7-R113 IonicContact OE2-CZ 2.76Å; E7-R113 IonicContact OE2-NH2 2.77Å; E7-R113 PolarHBondContact OE2-NH2 2.67Å; E7-N116 PolarHBondContact OE2-ND2 2.83Å
8V94.8Very high86.5Confident1 Ų144.2 Ų44.21%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-132.9126-164.3179.20000110.5V6 G10 F15 Y16 I30 F32 L42 D46 V47V6-V8 HydrophobicContact CG2-CG2 3.88Å; V8-G10 PolarHBondContact O-N 3.47Å; V8-F15 CarbonylContact O-C 3.4Å; V8-F15 WeakPolarHBondContact O-CA 3.3Å; V8-Y16 PolarHBondContact N-O 3.21Å; V8-Y16 PolarHBondContact O-N 3.5Å; V8-I30 HydrophobicContact CG2-CD1 4.48Å; V8-I30 HydrophobicContact CG2-CG1 4.16Å; V8-I30 HydrophobicContact CG2-CG2 3.99Å; V8-F32 HydrophobicContact CB-CE1 4.34Å; V8-F32 HydrophobicContact CG1-CE1 4.1Å; V8-F32 HydrophobicContact CG1-CZ 4.27Å; V8-L42 HydrophobicContact CG1-CD1 3.26Å; V8-D46 CarbonylContact C-O 3.6Å; V8-D46 WeakPolarHBondContact CA-O 3.35Å; V8-V47 HydrophobicContact CG2-CG1 4.27Å; V8-V47 HydrophobicContact CG2-CG2 4.2Å
9R93.1Very high86.8Confident131 Ų13143.4 Ų43.449%0.49424%0.242SC..EExtended strand (participates in β ladder)trans-73.6120.8-174.9-162.7-179.4-173.3-170.71.3111.1A14 F15 D46R9-A14 CarbonylContact C-O 3.59Å; R9-A14 WeakPolarHBondContact CA-O 3.37Å; R9-F15 HydrophobicContact CB-CD1 4.23Å; R9-F15 HydrophobicContact CB-CE1 3.85Å; R9-F15 HydrophobicContact CB-CZ 4.29Å; R9-F15 HydrophobicContact CG-CE1 4.26Å; R9-F15 HydrophobicContact CG-CZ 4.21Å; R9-D46 HydrophobicContact CB-CB 4.2Å; R9-D46 PolarHBondContact N-O 2.96Å
10G88.6Confident87.1Confident15 Ų1541.3 Ų41.316%0.15523%0.231CC..  trans-76.7164.7168.600000112.3V8 N12 G13 A14V8-G10 PolarHBondContact O-N 3.47Å; G10-N12 PolarHBondContact O-N 3.11Å; G10-G13 PolarHBondContact O-N 3.38Å; G10-A14 PolarHBondContact N-O 2.95Å
11S85.6Confident87.2Confident128 Ų12843.6 Ų43.690%0.89524%0.238SC*.THydrogen-bonded Turntrans-64.4-19.5175.6440000113.7G13S11-G13 VanDerWaalsContact C-N 3.32Å
12N85Confident89Confident48 Ų4840.5 Ų40.526%0.25722%0.224SC..THydrogen-bonded Turntrans-85.71171.658.57.6000113.6G10 A14 Y16 E75 W80G10-N12 PolarHBondContact O-N 3.11Å; N12-A14 VanDerWaalsContact C-N 3.35Å; N12-A14 PolarHBondContact O-N 3.11Å; N12-A14 PolarHBondContact OD1-N 3.47Å; N12-Y16 PolarHBondContact ND2-OH 2.99Å; N12-E75 PolarHBondContact ND2-OE2 3.14Å; N12-W80 HydrophobicContact CB-CH2 3.92Å; N12-W80 HydrophobicContact CB-CZ3 4.29Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.35Å
13G86Confident90.3Very high30 Ų3036.2 Ų36.231%0.30920%0.202SC..SBendtrans86.1-8.4179.200000115.8G10 S11G10-G13 PolarHBondContact O-N 3.38Å; S11-G13 VanDerWaalsContact C-N 3.32Å
14A91.2Very high91.1Very high0 Ų038.5 Ų38.50%021%0.208CC..  trans-75.3151.4177.200000112.3R9 G10 N12 Y16 W79 W80R9-A14 CarbonylContact C-O 3.59Å; R9-A14 WeakPolarHBondContact CA-O 3.37Å; G10-A14 PolarHBondContact N-O 2.95Å; N12-A14 VanDerWaalsContact C-N 3.35Å; N12-A14 PolarHBondContact O-N 3.11Å; N12-A14 PolarHBondContact OD1-N 3.47Å; A14-Y16 HydrophobicContact CB-CE2 3.89Å; A14-W79 WeakPolarHBondContact CA-O 3.47Å; A14-W80 HydrophobicContact CB-CD2 3.62Å; A14-W80 VanDerWaalsContact CB-CE2 3.44Å; A14-W80 HydrophobicContact CB-CE3 3.95Å; A14-W80 HydrophobicContact CB-CG 4.12Å; A14-W80 HydrophobicContact CB-CH2 3.98Å; A14-W80 HydrophobicContact CB-CZ2 3.63Å; A14-W80 HydrophobicContact CB-CZ3 4.12Å
15F94Very high91Very high36 Ų3643.6 Ų43.616%0.15823%0.231CC..EExtended strand (participates in β ladder)trans-99.6114.4176.6-73.8-86.9000111.5E7 V8 R9 R48 G78 W79E7-F15 HydrophobicContact CB-CB 4.33Å; E7-F15 HydrophobicContact CB-CD1 4.32Å; V8-F15 CarbonylContact O-C 3.4Å; V8-F15 WeakPolarHBondContact O-CA 3.3Å; R9-F15 HydrophobicContact CB-CD1 4.23Å; R9-F15 HydrophobicContact CB-CE1 3.85Å; R9-F15 HydrophobicContact CB-CZ 4.29Å; R9-F15 HydrophobicContact CG-CE1 4.26Å; R9-F15 HydrophobicContact CG-CZ 4.21Å; F15-R48 HydrophobicContact CD1-CG 4.26Å; F15-R48 HydrophobicContact CE1-CG 4.14Å; F15-G78 WeakPolarHBondContact O-CA 3.49Å; F15-W79 HydrophobicContact CB-CB 4.28Å; F15-W79 PolarHBondContact N-O 3.38Å; F15-W79 PolarHBondContact O-N 3.29Å
16Y93.9Very high90.9Very high10 Ų1046.8 Ų46.84%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-97.4150.5177.8-61.6-93.8000111E7 V8 N12 A14 W36 E75 P76E7-Y16 CarbonylContact C-O 3.49Å; E7-Y16 WeakPolarHBondContact CA-O 3.49Å; V8-Y16 PolarHBondContact N-O 3.21Å; V8-Y16 PolarHBondContact O-N 3.5Å; N12-Y16 PolarHBondContact ND2-OH 2.99Å; A14-Y16 HydrophobicContact CB-CE2 3.89Å; Y16-W36 HydrophobicContact CD1-CH2 4.09Å; Y16-W36 AromaticContact CD1-CZ2 3.46Å; Y16-W36 HydrophobicContact CD1-CZ2 3.46Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.46Å; Y16-W36 AromaticContact CE1-CH2 3.83Å; Y16-W36 HydrophobicContact CE1-CH2 3.83Å; Y16-W36 AromaticContact CE1-CZ2 3.7Å; Y16-W36 HydrophobicContact CE1-CZ2 3.7Å; Y16-W36 AromaticContact CG-CZ2 3.89Å; Y16-W36 HydrophobicContact CG-CZ2 3.89Å; Y16-E75 PolarHBondContact OH-OE2 3.24Å; Y16-P76 HydrophobicContact CD1-CG 4.22Å; Y16-P76 HydrophobicContact CE1-CG 4.45Å
17K93.4Very high90.8Very high97 Ų9747.9 Ų47.942%0.42225%0.25SS..EExtended strand (participates in β ladder)trans-80.2131.5176.2-178.2171.7154.4-143.10111E33K17-E33 WeakPolarHBondContact CD-OE2 3.36Å; K17-E33 WeakPolarHBondContact CE-OE1 3.39Å; K17-E33 VanDerWaalsContact CE-OE2 3.27Å; K17-E33 WeakPolarHBondContact CE-OE2 3.27Å; K17-E33 IonicContact NZ-OE1 2.7Å; K17-E33 PolarHBondContact NZ-OE1 3.13Å; K17-E33 IonicContact NZ-OE2 2.8Å; K17-E33 PolarHBondContact NZ-OE2 3.06Å; K17-E33 PolarHBondContact O-N 3.23Å
18G93.5Very high90.7Very high0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-146.4178.9175.800000111.9A5 V6 V31A5-G18 WeakPolarHBondContact CA-O 3.37Å; V6-G18 PolarHBondContact N-O 3.14Å; V6-G18 PolarHBondContact O-N 3.02Å; V6-G18 VanDerWaalsContact O-O 3.14Å; G18-V31 CarbonylContact C-O 3.55Å; G18-V31 WeakPolarHBondContact CA-O 3.28Å
19F93.3Very high90.7Very high29 Ų2947.9 Ų47.913%0.12725%0.251CS..EExtended strand (participates in β ladder)trans-129.3132.4-179.6-58-91000109.5M1 L4 A5 K21 I30 V31 E33M1-F19 HydrophobicContact CB-CD2 4.49Å; M1-F19 HydrophobicContact CB-CE2 4.34Å; M1-F19 HydrophobicContact CB-CZ 4.47Å; M1-F19 HydrophobicContact SD-CD2 3.68Å; M1-F19 HydrophobicContact SD-CE2 3.57Å; M1-F19 VanDerWaalsContact SD-CE2 3.57Å; M1-F19 HydrophobicContact SD-CZ 4.49Å; L4-F19 CarbonylContact O-C 3.58Å; L4-F19 WeakPolarHBondContact O-CA 3.26Å; A5-F19 HydrophobicContact CB-CD1 4.04Å; A5-F19 HydrophobicContact CB-CE1 3.94Å; F19-K21 PolarHBondContact O-N 3Å; F19-I30 WeakPolarHBondContact O-CA 3.17Å; F19-V31 PolarHBondContact N-O 2.89Å; F19-V31 PolarHBondContact O-N 3.16Å; F19-E33 HydrophobicContact CE2-CB 4.2Å; F19-E33 HydrophobicContact CE2-CG 4.48Å
20I92.1Very high90.7Very high2 Ų241.6 Ų41.61%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-67.8115.4170.6-61.4174.9000108.1G3 L4 V6 D22 V23 L28 I30 F126 L171G3-I20 WeakPolarHBondContact CA-O 3.43Å; L4-I20 HydrophobicContact CB-CB 4.38Å; L4-I20 HydrophobicContact CB-CD1 4.49Å; L4-I20 HydrophobicContact CD2-CD1 4.4Å; L4-I20 HydrophobicContact CG-CD1 4.48Å; L4-I20 PolarHBondContact O-N 3.39Å; V6-I20 HydrophobicContact CG1-CD1 3.76Å; V6-I20 HydrophobicContact CG1-CG1 3.92Å; V6-I20 HydrophobicContact CG2-CG1 3.98Å; I20-D22 WeakPolarHBondContact CG2-O 3.31Å; I20-V23 HydrophobicContact CG2-CG2 3.85Å; I20-L28 HydrophobicContact CD1-CD1 4.2Å; I20-L28 HydrophobicContact CD1-CD2 4.28Å; I20-L28 HydrophobicContact CG2-CD2 4.44Å; I20-I30 HydrophobicContact CG1-CD1 3.8Å; I20-F126 HydrophobicContact CD1-CD1 3.52Å; I20-F126 HydrophobicContact CD1-CD2 3.91Å; I20-F126 HydrophobicContact CD1-CE1 3.46Å; I20-F126 VanDerWaalsContact CD1-CE1 3.46Å; I20-F126 HydrophobicContact CD1-CE2 3.85Å; I20-F126 HydrophobicContact CD1-CG 3.75Å; I20-F126 HydrophobicContact CD1-CZ 3.64Å; I20-L171 HydrophobicContact CB-CD1 4.5Å; I20-L171 HydrophobicContact CG2-CD1 4.08Å; I20-L171 WeakPolarHBondContact O-CD1 3.44Å
21K88.8Confident90.9Very high90 Ų9042.2 Ų42.239%0.39123%0.228SC..EExtended strand (participates in β ladder)trans-88.1-39.8168.3175.4-175.2177.5-175.60110.8F19 T29 V31 E39F19-K21 PolarHBondContact O-N 3Å; K21-T29 HydrophobicContact CB-CG2 4.39Å; K21-T29 HydrophobicContact CD-CG2 4.24Å; K21-T29 PolarHBondContact N-O 2.75Å; K21-V31 HydrophobicContact CB-CG2 3.88Å; K21-V31 HydrophobicContact CD-CG2 3.81Å; K21-V31 HydrophobicContact CG-CG2 4.37Å; K21-E39 VanDerWaalsContact CD-OE2 3.3Å; K21-E39 WeakPolarHBondContact CD-OE2 3.42Å; K21-E39 IonicContact NZ-OE1 3.97Å; K21-E39 PolarHBondContact NZ-OE1 2.76Å; K21-E39 IonicContact NZ-OE2 2.78Å; K21-E39 PolarHBondContact NZ-OE2 3.34Å
22D88.6Confident91.2Very high36 Ų3636.3 Ų36.319%0.19319%0.186CC..EExtended strand (participates in β ladder)trans-148155.4179.1-151.7-3.3000113.6I20 H24 T29 K128I20-D22 WeakPolarHBondContact CG2-O 3.31Å; D22-H24 IonicContact OD2-CE1 3.12Å; D22-H24 PolarHBondContact OD2-CE1 3.19Å; D22-T29 PolarHBondContact N-O 2.83Å; D22-T29 PolarHBondContact O-N 3.45Å; D22-K128 VanDerWaalsContact CG-NZ 3.27Å; D22-K128 WeakPolarHBondContact OD1-CD 3.4Å; D22-K128 WeakPolarHBondContact OD1-CE 3.23Å; D22-K128 IonicContact OD1-NZ 3.46Å; D22-K128 PolarHBondContact OD1-NZ 3.23Å; D22-K128 IonicContact OD2-NZ 3.36Å; D22-K128 PolarHBondContact OD2-NZ 2.77Å; D22-K128 VanDerWaalsContact OD2-NZ 3.1Å
23V91Very high91.4Very high21 Ų2136.9 Ų36.913%0.12719%0.187CC..EExtended strand (participates in β ladder)trans-120.6118.9177.5-176.20000108.4I20 L28 F126 K128 L171I20-V23 HydrophobicContact CG2-CG2 3.85Å; V23-L28 HydrophobicContact CB-CD2 4.1Å; V23-L28 HydrophobicContact CG1-CD2 3.9Å; V23-L28 HydrophobicContact CG2-CD2 3.81Å; V23-F126 HydrophobicContact CG1-CB 4.36Å; V23-F126 HydrophobicContact CG2-CB 4.1Å; V23-K128 HydrophobicContact CB-CB 4.02Å; V23-K128 HydrophobicContact CG2-CB 4.34Å; V23-L171 HydrophobicContact CG2-CD2 4.03Å
24H89.6Confident91.3Very high63 Ų6342.3 Ų42.329%0.29221%0.209SC..  trans-104.1-178.6175.5-56.5-64.3000110.4D22 S27 T29D22-H24 IonicContact OD2-CE1 3.12Å; D22-H24 PolarHBondContact OD2-CE1 3.19Å; H24-S27 WeakPolarHBondContact CA-O 3.46Å; H24-S27 WeakPolarHBondContact CB-O 3.48Å; H24-S27 PolarHBondContact N-O 2.81Å; H24-T29 PolarHBondContact CD2-OG1 2.95Å; H24-T29 PolarHBondContact NE2-OG1 3.41Å
25E87.1Confident91.1Very high128 Ų12847.3 Ų47.360%0.59824%0.236SC*.SBendtrans-63.5-44.7-176.2-178.4163.2-176.100113.1R123E25-R123 WeakPolarHBondContact O-CD 3.41Å; E25-R123 WeakPolarHBondContact O-CG 3.4Å; E25-R123 PolarHBondContact O-NE 3.33Å; E25-R123 IonicContact OE1-CZ 2.65Å; E25-R123 VanDerWaalsContact OE1-CZ 3.28Å; E25-R123 IonicContact OE1-NH1 2.69Å; E25-R123 PolarHBondContact OE1-NH1 3.09Å; E25-R123 VanDerWaalsContact OE1-NH1 3.07Å; E25-R123 IonicContact OE1-NH2 2.75Å; E25-R123 PolarHBondContact OE1-NH2 3.19Å
26D89.1Confident90.8Very high106 Ų10649 Ų4957%0.56724%0.241SC*.SBendtrans-123.36.2-177.4-62.1-42.7000113.6R123D26-R123 IonicContact OD1-CZ 3.15Å; D26-R123 IonicContact OD1-NH1 3.07Å; D26-R123 PolarHBondContact OD1-NH1 3.1Å
27S93.3Very high90.5Very high25 Ų2551.1 Ų51.118%0.17525%0.252CS..EExtended strand (participates in β ladder)trans-151.2166.9-17672.40000114.2H24 L42H24-S27 WeakPolarHBondContact CA-O 3.46Å; H24-S27 WeakPolarHBondContact CB-O 3.48Å; H24-S27 PolarHBondContact N-O 2.81Å; S27-L42 CarbonylContact C-O 3.54Å; S27-L42 VanDerWaalsContact CA-O 3.31Å; S27-L42 WeakPolarHBondContact CA-O 3.44Å; S27-L42 WeakPolarHBondContact CB-O 3.3Å
28L93.7Very high90.3Very high0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-119.2137.6176.2-64.9172.9000110.2I20 V23 I30 Q41 L42 F44 V47 F126I20-L28 HydrophobicContact CD1-CD1 4.2Å; I20-L28 HydrophobicContact CD1-CD2 4.28Å; I20-L28 HydrophobicContact CG2-CD2 4.44Å; V23-L28 HydrophobicContact CB-CD2 4.1Å; V23-L28 HydrophobicContact CG1-CD2 3.9Å; V23-L28 HydrophobicContact CG2-CD2 3.81Å; L28-I30 HydrophobicContact CB-CD1 3.99Å; L28-I30 HydrophobicContact CB-CG1 4.49Å; L28-Q41 CarbonylContact O-C 3.46Å; L28-Q41 VanDerWaalsContact O-CA 3.31Å; L28-Q41 WeakPolarHBondContact O-CA 3.5Å; L28-L42 PolarHBondContact N-O 2.8Å; L28-L42 PolarHBondContact O-N 3.09Å; L28-F44 HydrophobicContact CD1-CD1 3.89Å; L28-F44 HydrophobicContact CD1-CE1 4.15Å; L28-F44 HydrophobicContact CD2-CD1 4.26Å; L28-F44 HydrophobicContact CD2-CE1 3.66Å; L28-F44 HydrophobicContact CD2-CZ 4.4Å; L28-F44 HydrophobicContact CG-CD1 3.87Å; L28-F44 HydrophobicContact CG-CE1 3.74Å; L28-V47 HydrophobicContact CD1-CB 3.89Å; L28-V47 HydrophobicContact CD1-CG1 3.8Å; L28-V47 HydrophobicContact CD1-CG2 3.97Å; L28-F126 HydrophobicContact CD1-CD2 3.68Å; L28-F126 HydrophobicContact CD1-CE2 3.61Å; L28-F126 HydrophobicContact CD2-CB 4.49Å; L28-F126 HydrophobicContact CD2-CD2 4.01Å; L28-F126 HydrophobicContact CD2-CG 4.5Å; L28-F126 HydrophobicContact CG-CD2 4.46Å
29T93.2Very high90.3Very high10 Ų1056.2 Ų56.26%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-90.4113.5167.3-57.90000109.7K21 D22 H24 R40K21-T29 HydrophobicContact CB-CG2 4.39Å; K21-T29 HydrophobicContact CD-CG2 4.24Å; K21-T29 PolarHBondContact N-O 2.75Å; D22-T29 PolarHBondContact N-O 2.83Å; D22-T29 PolarHBondContact O-N 3.45Å; H24-T29 PolarHBondContact CD2-OG1 2.95Å; H24-T29 PolarHBondContact NE2-OG1 3.41Å; T29-R40 WeakPolarHBondContact CA-O 3.44Å
30I93.3Very high90.3Very high0 Ų059.4 Ų59.40%030%0.297CS..EExtended strand (participates in β ladder)trans-104.6132.3-179-55.9-52.5000110.3V6 V8 F19 I20 L28 F32 E39 R40 L42 V47V6-I30 HydrophobicContact CG2-CD1 3.86Å; V8-I30 HydrophobicContact CG2-CD1 4.48Å; V8-I30 HydrophobicContact CG2-CG1 4.16Å; V8-I30 HydrophobicContact CG2-CG2 3.99Å; F19-I30 WeakPolarHBondContact O-CA 3.17Å; I20-I30 HydrophobicContact CG1-CD1 3.8Å; L28-I30 HydrophobicContact CB-CD1 3.99Å; L28-I30 HydrophobicContact CB-CG1 4.49Å; I30-F32 HydrophobicContact CG2-CE1 4.39Å; I30-F32 HydrophobicContact CG2-CZ 4.4Å; I30-E39 CarbonylContact O-C 3.59Å; I30-E39 WeakPolarHBondContact O-CA 3.28Å; I30-E39 WeakPolarHBondContact O-CB 3.48Å; I30-R40 PolarHBondContact N-O 3.22Å; I30-R40 PolarHBondContact O-N 3Å; I30-L42 HydrophobicContact CG1-CD1 4.26Å; I30-V47 HydrophobicContact CD1-CG2 4.44Å; I30-V47 HydrophobicContact CG1-CG2 4.38Å
31V93.2Very high90.4Very high27 Ų2765.6 Ų65.616%0.16433%0.326CS..EExtended strand (participates in β ladder)trans-99.5129.1162.1175.70000108.2M1 G18 F19 K21 N35 E39M1-V31 HydrophobicContact CE-CG1 4.24Å; G18-V31 CarbonylContact C-O 3.55Å; G18-V31 WeakPolarHBondContact CA-O 3.28Å; F19-V31 PolarHBondContact N-O 2.89Å; F19-V31 PolarHBondContact O-N 3.16Å; K21-V31 HydrophobicContact CB-CG2 3.88Å; K21-V31 HydrophobicContact CD-CG2 3.81Å; K21-V31 HydrophobicContact CG-CG2 4.37Å; V31-N35 WeakPolarHBondContact CG1-OD1 3.5Å; V31-E39 HydrophobicContact CG2-CB 4.03Å
32F91.6Very high90.6Very high5 Ų561.8 Ų61.82%0.02231%0.31CS..EExtended strand (participates in β ladder)trans-83.1149.8178.7-66.3-83.7000111.8V8 I30 N34 N35 W36 Q37 R40 L42V8-F32 HydrophobicContact CB-CE1 4.34Å; V8-F32 HydrophobicContact CG1-CE1 4.1Å; V8-F32 HydrophobicContact CG1-CZ 4.27Å; I30-F32 HydrophobicContact CG2-CE1 4.39Å; I30-F32 HydrophobicContact CG2-CZ 4.4Å; F32-N34 PolarHBondContact O-N 3.45Å; F32-N35 PolarHBondContact O-N 2.89Å; F32-W36 AromaticContact CD1-NE1 3.89Å; F32-W36 AromaticContact CG-NE1 3.93Å; F32-Q37 HydrophobicContact CD2-CB 3.64Å; F32-Q37 HydrophobicContact CE2-CB 4.05Å; F32-Q37 HydrophobicContact CG-CB 4.19Å; F32-R40 HydrophobicContact CE2-CB 4.23Å; F32-R40 HydrophobicContact CE2-CG 4.2Å; F32-L42 HydrophobicContact CZ-CD1 4.48Å
33E88.6Confident90.9Very high60 Ų6062.7 Ų62.728%0.2832%0.318SS..G310 helixtrans-57.1136.6179.1-175.5154.3-121.300111.8K17 F19 N35K17-E33 WeakPolarHBondContact CD-OE2 3.36Å; K17-E33 WeakPolarHBondContact CE-OE1 3.39Å; K17-E33 VanDerWaalsContact CE-OE2 3.27Å; K17-E33 WeakPolarHBondContact CE-OE2 3.27Å; K17-E33 IonicContact NZ-OE1 2.7Å; K17-E33 PolarHBondContact NZ-OE1 3.13Å; K17-E33 IonicContact NZ-OE2 2.8Å; K17-E33 PolarHBondContact NZ-OE2 3.06Å; K17-E33 PolarHBondContact O-N 3.23Å; F19-E33 HydrophobicContact CE2-CB 4.2Å; F19-E33 HydrophobicContact CE2-CG 4.48Å; E33-N35 PolarHBondContact O-N 2.99Å
34N85.6Confident91Very high143 Ų14362.4 Ų62.477%0.76532%0.315SS*.G310 helixtrans56.512.6-172.9-53.1-36.9000115.9F32 W36F32-N34 PolarHBondContact O-N 3.45Å; N34-W36 VanDerWaalsContact C-N 3.25Å; N34-W36 PolarHBondContact O-N 3.29Å
35N86.3Confident91.2Very high106 Ų10662.8 Ų62.857%0.56732%0.324SS*.G310 helixtrans56.132.4-177.8-55.6-27.7000114.2M1 V31 F32 E33 Q37M1-N35 WeakPolarHBondContact CE-OD1 3.26Å; V31-N35 WeakPolarHBondContact CG1-OD1 3.5Å; F32-N35 PolarHBondContact O-N 2.89Å; E33-N35 PolarHBondContact O-N 2.99Å; N35-Q37 CarbonylContact C-O 3.56Å; N35-Q37 PolarHBondContact O-N 3.09Å
36W87.5Confident91.5Very high71 Ų7158.8 Ų58.827%0.26931%0.307SS..SBendtrans-63.7-25.2-179.279.6-88.2000113.6Y16 F32 N34 E75 P76Y16-W36 HydrophobicContact CD1-CH2 4.09Å; Y16-W36 AromaticContact CD1-CZ2 3.46Å; Y16-W36 HydrophobicContact CD1-CZ2 3.46Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.46Å; Y16-W36 AromaticContact CE1-CH2 3.83Å; Y16-W36 HydrophobicContact CE1-CH2 3.83Å; Y16-W36 AromaticContact CE1-CZ2 3.7Å; Y16-W36 HydrophobicContact CE1-CZ2 3.7Å; Y16-W36 AromaticContact CG-CZ2 3.89Å; Y16-W36 HydrophobicContact CG-CZ2 3.89Å; F32-W36 AromaticContact CD1-NE1 3.89Å; F32-W36 AromaticContact CG-NE1 3.93Å; N34-W36 VanDerWaalsContact C-N 3.25Å; N34-W36 PolarHBondContact O-N 3.29Å; W36-E75 HydrophobicContact CH2-CG 4.12Å; W36-E75 HydrophobicContact CZ3-CB 4.32Å; W36-E75 HydrophobicContact CZ3-CG 3.77Å; W36-P76 HydrophobicContact CD2-CG 3.61Å; W36-P76 VanDerWaalsContact CE2-CG 3.5Å; W36-P76 VanDerWaalsContact CE3-CD 3.41Å; W36-P76 HydrophobicContact CE3-CG 4.22Å; W36-P76 HydrophobicContact CG-CG 3.77Å; W36-P76 HydrophobicContact CZ2-CG 4.01Å
37Q87Confident91.8Very high55 Ų5553.8 Ų53.826%0.25728%0.281SS..SBendtrans-118.8153.4161.2-86.3-173.62900109.3F32 N35 R40F32-Q37 HydrophobicContact CD2-CB 3.64Å; F32-Q37 HydrophobicContact CE2-CB 4.05Å; F32-Q37 HydrophobicContact CG-CB 4.19Å; N35-Q37 CarbonylContact C-O 3.56Å; N35-Q37 PolarHBondContact O-N 3.09Å; Q37-R40 VanDerWaalsContact OE1-NH1 3.12Å
38P90.4Very high91.9Very high104 Ų10453.4 Ų53.468%0.67528%0.275SS*.  trans-59.4160.2166.929-36.3000110.8
39E92.1Very high91.9Very high100 Ų10055.5 Ų55.547%0.46729%0.286SS..  trans-63.3142.3175.563.7-175.7-139.600111.9K21 I30 V31K21-E39 VanDerWaalsContact CD-OE2 3.3Å; K21-E39 WeakPolarHBondContact CD-OE2 3.42Å; K21-E39 IonicContact NZ-OE1 3.97Å; K21-E39 PolarHBondContact NZ-OE1 2.76Å; K21-E39 IonicContact NZ-OE2 2.78Å; K21-E39 PolarHBondContact NZ-OE2 3.34Å; I30-E39 CarbonylContact O-C 3.59Å; I30-E39 WeakPolarHBondContact O-CA 3.28Å; I30-E39 WeakPolarHBondContact O-CB 3.48Å; V31-E39 HydrophobicContact CG2-CB 4.03Å
40R93.3Very high91.9Very high95 Ų9557.5 Ų57.536%0.35830%0.3SS..EExtended strand (participates in β ladder)trans-131.6140.1-173.9-72.517660.9-170.1-4.2111.1T29 I30 F32 Q37 L42T29-R40 WeakPolarHBondContact CA-O 3.44Å; I30-R40 PolarHBondContact N-O 3.22Å; I30-R40 PolarHBondContact O-N 3Å; F32-R40 HydrophobicContact CE2-CB 4.23Å; F32-R40 HydrophobicContact CE2-CG 4.2Å; Q37-R40 VanDerWaalsContact OE1-NH1 3.12Å; R40-L42 HydrophobicContact CB-CD1 4.45Å; R40-L42 HydrophobicContact CB-CD2 4.38Å; R40-L42 HydrophobicContact CB-CG 4.17Å
41Q94.4Very high91.8Very high132 Ų13259 Ų5962%0.61731%0.309SS*.EExtended strand (participates in β ladder)trans-84.3128.5163.4-70.7-177.5-1.200109L28L28-Q41 CarbonylContact O-C 3.46Å; L28-Q41 VanDerWaalsContact O-CA 3.31Å; L28-Q41 WeakPolarHBondContact O-CA 3.5Å
42L93.8Very high91.7Very high10 Ų1061 Ų615%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-137.5146.6-174.4-64.2174.1000110.7V8 S27 L28 I30 F32 R40 V47V8-L42 HydrophobicContact CG1-CD1 3.26Å; S27-L42 CarbonylContact C-O 3.54Å; S27-L42 VanDerWaalsContact CA-O 3.31Å; S27-L42 WeakPolarHBondContact CA-O 3.44Å; S27-L42 WeakPolarHBondContact CB-O 3.3Å; L28-L42 PolarHBondContact N-O 2.8Å; L28-L42 PolarHBondContact O-N 3.09Å; I30-L42 HydrophobicContact CG1-CD1 4.26Å; F32-L42 HydrophobicContact CZ-CD1 4.48Å; R40-L42 HydrophobicContact CB-CD1 4.45Å; R40-L42 HydrophobicContact CB-CD2 4.38Å; R40-L42 HydrophobicContact CB-CG 4.17Å; L42-V47 HydrophobicContact CB-CG2 4.43Å
43P94.3Very high91.4Very high55 Ų5565.3 Ų65.336%0.35736%0.359SS..EExtended strand (participates in β ladder)trans-68.6154.6176.731.7-36.1000110.8S45 D46P43-S45 PolarHBondContact O-N 3.35Å; P43-S45 VanDerWaalsContact O-N 3.1Å; P43-D46 HydrophobicContact CG-CB 4.21Å; P43-D46 VanDerWaalsContact CG-OD2 3.31Å; P43-D46 WeakPolarHBondContact CG-OD2 3.38Å; P43-D46 PolarHBondContact O-N 2.81Å
44F93.5Very high91.3Very high16 Ų1669.3 Ų69.37%0.0738%0.383CS..G310 helixtrans-55.9-28.8177.9-65.3-79.5000113.4L28 D46 V47 A121 S122 R123 F126L28-F44 HydrophobicContact CD1-CD1 3.89Å; L28-F44 HydrophobicContact CD1-CE1 4.15Å; L28-F44 HydrophobicContact CD2-CD1 4.26Å; L28-F44 HydrophobicContact CD2-CE1 3.66Å; L28-F44 HydrophobicContact CD2-CZ 4.4Å; L28-F44 HydrophobicContact CG-CD1 3.87Å; L28-F44 HydrophobicContact CG-CE1 3.74Å; F44-D46 PolarHBondContact O-N 3.46Å; F44-V47 PolarHBondContact O-N 3.45Å; F44-A121 CarbonylContact C-O 3.59Å; F44-A121 HydrophobicContact CB-CB 4.28Å; F44-A121 WeakPolarHBondContact CB-O 3.46Å; F44-A121 HydrophobicContact CD1-CB 4.37Å; F44-A121 PolarHBondContact O-N 2.9Å; F44-S122 WeakPolarHBondContact CD1-O 3.3Å; F44-R123 HydrophobicContact CD2-CB 4.25Å; F44-R123 HydrophobicContact CE2-CB 3.93Å; F44-R123 HydrophobicContact CE2-CG 4.26Å; F44-R123 HydrophobicContact CZ-CB 4.4Å; F44-F126 HydrophobicContact CD1-CD2 4.37Å; F44-F126 HydrophobicContact CE1-CD2 4.33Å
45S93.3Very high91.4Very high70 Ų7066.4 Ų66.449%0.4936%0.361SS..G310 helixtrans-62.9-23.4176.958.30000114.9P43P43-S45 PolarHBondContact O-N 3.35Å; P43-S45 VanDerWaalsContact O-N 3.1Å
46D94.4Very high91.3Very high45 Ų4569.3 Ų69.324%0.24137%0.371CS..G310 helixtrans-99.14.5-176.8-64.5-13.7000112V8 R9 P43 F44V8-D46 CarbonylContact C-O 3.6Å; V8-D46 WeakPolarHBondContact CA-O 3.35Å; R9-D46 HydrophobicContact CB-CB 4.2Å; R9-D46 PolarHBondContact N-O 2.96Å; P43-D46 HydrophobicContact CG-CB 4.21Å; P43-D46 VanDerWaalsContact CG-OD2 3.31Å; P43-D46 WeakPolarHBondContact CG-OD2 3.38Å; P43-D46 PolarHBondContact O-N 2.81Å; F44-D46 PolarHBondContact O-N 3.46Å
47V95.2Very high91.3Very high1 Ų170.2 Ų70.21%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-126137-178.5-1760000109.5V6 E7 V8 L28 I30 L42 F44 A121 F126V6-V47 HydrophobicContact CB-CG1 3.73Å; V6-V47 HydrophobicContact CG1-CG1 3.97Å; V6-V47 HydrophobicContact CG2-CG1 3.89Å; E7-V47 CarbonylContact O-C 3.56Å; E7-V47 WeakPolarHBondContact O-CA 3.44Å; V8-V47 HydrophobicContact CG2-CG1 4.27Å; V8-V47 HydrophobicContact CG2-CG2 4.2Å; L28-V47 HydrophobicContact CD1-CB 3.89Å; L28-V47 HydrophobicContact CD1-CG1 3.8Å; L28-V47 HydrophobicContact CD1-CG2 3.97Å; I30-V47 HydrophobicContact CD1-CG2 4.44Å; I30-V47 HydrophobicContact CG1-CG2 4.38Å; L42-V47 HydrophobicContact CB-CG2 4.43Å; F44-V47 PolarHBondContact O-N 3.45Å; V47-A121 VanDerWaalsContact O-CB 3.29Å; V47-A121 WeakPolarHBondContact O-CB 3.26Å; V47-A121 PolarHBondContact O-N 3.43Å; V47-F126 HydrophobicContact CG1-CE2 4.46Å
48R95.1Very high91.4Very high16 Ų1674.8 Ų74.86%0.0640%0.403CS..EExtended strand (participates in β ladder)trans-137.5163.8172.768.3-177.1-174.6-179.33.6110.8E7 F15 E66 N116E7-R48 HydrophobicContact CB-CG 3.85Å; E7-R48 PolarHBondContact N-O 3.46Å; E7-R48 PolarHBondContact O-N 3.36Å; E7-R48 IonicContact OE2-CZ 3.83Å; E7-R48 VanDerWaalsContact OE2-CZ 3.26Å; E7-R48 IonicContact OE2-NE 3.71Å; E7-R48 PolarHBondContact OE2-NE 3.24Å; E7-R48 IonicContact OE2-NH2 3.2Å; E7-R48 PolarHBondContact OE2-NH2 2.96Å; F15-R48 HydrophobicContact CD1-CG 4.26Å; F15-R48 HydrophobicContact CE1-CG 4.14Å; R48-E66 IonicContact CZ-OE1 2.78Å; R48-E66 IonicContact CZ-OE2 2.97Å; R48-E66 IonicContact NH1-OE1 3.58Å; R48-E66 PolarHBondContact NH1-OE1 3.35Å; R48-E66 IonicContact NH2-OE1 2.74Å; R48-E66 PolarHBondContact NH2-OE1 3.09Å; R48-E66 IonicContact NH2-OE2 2.95Å; R48-E66 PolarHBondContact NH2-OE2 3.41Å; R48-N116 PolarHBondContact NE-ND2 3.24Å
49L93.5Very high91.5Very high45 Ų4571 Ų7124%0.23638%0.377CS..PPolyproline II helixtrans-72.1147.1169.9-69.5172.1000110.3N116 N118 F126 T173L49-N116 PolarHBondContact O-ND2 2.89Å; L49-N118 HydrophobicContact CB-CB 4.23Å; L49-N118 PolarHBondContact O-ND2 2.83Å; L49-F126 HydrophobicContact CD2-CE1 3.85Å; L49-F126 HydrophobicContact CD2-CZ 4.08Å; L49-T173 HydrophobicContact CD1-CG2 4.46Å; L49-T173 HydrophobicContact CD2-CG2 4.17Å
50P93.2Very high91.4Very high52 Ų5267.5 Ų67.534%0.33837%0.367SS..PPolyproline II helixtrans-62156.6169.329.9-35.8000110.5E7 N118E7-P50 HydrophobicContact CG-CB 4.22Å; P50-N118 PolarHBondContact O-ND2 2.89Å
51P92.4Very high91.4Very high32 Ų3268.3 Ų68.321%0.20838%0.375CS..PPolyproline II helixtrans-58.1146.5177.426.7-34.7000110.6E7 Y55 N116E7-P51 VanDerWaalsContact OE1-CD 3.29Å; E7-P51 WeakPolarHBondContact OE1-CD 3.44Å; P51-Y55 HydrophobicContact CB-CD1 4.48Å; P51-N116 HydrophobicContact CB-CB 4.43Å; P51-N116 WeakPolarHBondContact CD-ND2 3.33Å
52P90.1Very high91.2Very high69 Ų6964.4 Ų64.445%0.44837%0.371SS..PPolyproline II helixtrans-56.9144.2176.2-21.531.7000111.4D54 Y55P52-D54 PolarHBondContact O-N 2.96Å; P52-Y55 VanDerWaalsContact O-CB 3.24Å; P52-Y55 WeakPolarHBondContact O-CB 3.25Å; P52-Y55 PolarHBondContact O-N 2.94Å
53A85.7Confident91.1Very high94 Ų9467 Ų6778%0.77738%0.383SS*.THydrogen-bonded Turntrans-59.6-34.5-175.700000113.1Y55A53-Y55 VanDerWaalsContact C-N 3.34Å
54D85.7Confident91.1Very high145 Ų14569.4 Ų69.478%0.77539%0.389SS*.THydrogen-bonded Turntrans-91.59.3179.2-41.2-69.8000112.9P52 H56P52-D54 PolarHBondContact O-N 2.96Å; D54-H56 PolarHBondContact O-N 3.3Å; D54-H56 VanDerWaalsContact O-N 3.1Å
55Y88Confident91.1Very high82 Ų8268.7 Ų68.732%0.32239%0.386SS..  trans-78.996.4-179-177.2-112.7000111.5P51 P52 A53 P114 P117P51-Y55 HydrophobicContact CB-CD1 4.48Å; P52-Y55 VanDerWaalsContact O-CB 3.24Å; P52-Y55 WeakPolarHBondContact O-CB 3.25Å; P52-Y55 PolarHBondContact O-N 2.94Å; A53-Y55 VanDerWaalsContact C-N 3.34Å; Y55-P114 HydrophobicContact CE1-CB 4Å; Y55-P117 HydrophobicContact CD1-CG 4Å; Y55-P117 HydrophobicContact CD2-CG 4.17Å; Y55-P117 HydrophobicContact CE1-CG 3.9Å; Y55-P117 HydrophobicContact CE2-CB 4.48Å; Y55-P117 HydrophobicContact CE2-CG 4.09Å; Y55-P117 HydrophobicContact CG-CG 4.13Å
56H83.8Confident91.2Very high166 Ų16665.6 Ų65.677%0.76936%0.364SS*.  trans-110.6135.6170.2-58.7-66.2000110.6D54D54-H56 PolarHBondContact O-N 3.3Å; D54-H56 VanDerWaalsContact O-N 3.1Å
57K88.6Confident91.2Very high91 Ų9163.4 Ų63.440%0.39635%0.352SS..  trans-143.3134.4169.9-173.3-139.8173-152.60106.5E63 P114K57-E63 IonicContact NZ-OE1 3.99Å; K57-E63 PolarHBondContact NZ-OE1 2.81Å; K57-E63 IonicContact NZ-OE2 2.64Å; K57-E63 PolarHBondContact NZ-OE2 2.63Å; K57-P114 HydrophobicContact CB-CB 4.03Å; K57-P114 HydrophobicContact CB-CG 3.98Å; K57-P114 HydrophobicContact CD-CB 4.34Å; K57-P114 WeakPolarHBondContact O-CG 3.18Å
58D88.6Confident91.2Very high151 Ų15168 Ų6881%0.80737%0.37SS*.  trans-63.3145.4174.2-59.8-52.6000110.4
59I92.1Very high91Very high25 Ų2568.1 Ų68.113%0.12837%0.373CS..  trans-104.8111.2-177.8-64.1179.5000108.6V65 V84 Y92 I112 P114I59-V65 HydrophobicContact CD1-CG1 4.17Å; I59-V65 HydrophobicContact CG1-CG1 4.31Å; I59-V65 HydrophobicContact CG2-CG1 3.65Å; I59-V84 HydrophobicContact CG2-CG2 3.68Å; I59-Y92 HydrophobicContact CB-CE1 4.3Å; I59-Y92 HydrophobicContact CG2-CD1 4.21Å; I59-Y92 HydrophobicContact CG2-CE1 3.97Å; I59-I112 HydrophobicContact CD1-CD1 4.25Å; I59-I112 HydrophobicContact CD1-CG1 4.04Å; I59-I112 HydrophobicContact CD1-CG2 4.32Å; I59-I112 HydrophobicContact CG2-CD1 4.28Å; I59-P114 HydrophobicContact CD1-CG 4.26Å; I59-P114 HydrophobicContact CG1-CG 4.08Å
60G90.8Very high90.7Very high25 Ų2571.2 Ų71.226%0.25838%0.382SS..  trans-94.1167.1177.400000114.5E63 V84G60-E63 PolarHBondContact N-OE2 2.64Å; G60-E63 PolarHBondContact O-N 3.07Å; G60-V84 WeakPolarHBondContact O-CB 3.16Å
61E92.9Very high90.2Very high112 Ų11271.5 Ų71.552%0.52339%0.389SS..THydrogen-bonded Turntrans-65.7139.9165.8-59.8-168.1146.800110.8E63 M86 M87E61-E63 VanDerWaalsContact C-N 3.28Å; E61-E63 PolarHBondContact O-N 3.02Å; E61-M86 VanDerWaalsContact OE1-CA 3.22Å; E61-M86 WeakPolarHBondContact OE1-CA 3.5Å; E61-M87 HydrophobicContact CG-CB 4.33Å; E61-M87 HydrophobicContact CG-CG 3.69Å; E61-M87 HydrophobicContact CG-SD 3.89Å; E61-M87 PolarHBondContact OE1-N 2.81Å
62G89.5Confident89.7Confident51 Ų5173 Ų7353%0.52640%0.395SS..THydrogen-bonded Turntrans84-10.3-17600000114.9V84G62-V84 VanDerWaalsContact CA-O 3.28Å; G62-V84 WeakPolarHBondContact CA-O 3.3Å; G62-V84 PolarHBondContact N-O 2.65Å
63E92.9Very high89.3Confident65 Ų6577 Ų7730%0.30441%0.408SS..  trans-81.3153-175.5-61.2-152.9119.500114.3K57 G60 E61 R83 V84K57-E63 IonicContact NZ-OE1 3.99Å; K57-E63 PolarHBondContact NZ-OE1 2.81Å; K57-E63 IonicContact NZ-OE2 2.64Å; K57-E63 PolarHBondContact NZ-OE2 2.63Å; G60-E63 PolarHBondContact N-OE2 2.64Å; G60-E63 PolarHBondContact O-N 3.07Å; E61-E63 VanDerWaalsContact C-N 3.28Å; E61-E63 PolarHBondContact O-N 3.02Å; E63-R83 CarbonylContact O-C 3.57Å; E63-R83 WeakPolarHBondContact O-CA 3.32Å; E63-V84 PolarHBondContact O-N 2.91Å
64E93.8Very high89.1Confident105 Ų10581.4 Ų81.449%0.49141%0.412SS..EExtended strand (participates in β ladder)trans-83.1135.6171.8-63.7-170.7156.300111.5L81 A82E64-L81 HydrophobicContact CB-CD1 4.46Å; E64-A82 WeakPolarHBondContact CA-O 3.27Å
65V94.1Very high89.1Confident1 Ų176.4 Ų76.41%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-142.6164.3-169-72.40000110.3I59 V67 A82 V84 I112I59-V65 HydrophobicContact CD1-CG1 4.17Å; I59-V65 HydrophobicContact CG1-CG1 4.31Å; I59-V65 HydrophobicContact CG2-CG1 3.65Å; V65-V67 HydrophobicContact CG2-CG2 4.33Å; V65-A82 HydrophobicContact CG2-CB 4.21Å; V65-A82 WeakPolarHBondContact CG2-O 3.45Å; V65-A82 PolarHBondContact N-O 3.12Å; V65-A82 PolarHBondContact O-N 3.13Å; V65-A82 VanDerWaalsContact O-O 3.11Å; V65-V84 HydrophobicContact CB-CG2 4.43Å; V65-V84 HydrophobicContact CG1-CG2 3.75Å; V65-V84 HydrophobicContact CG2-CG2 3.8Å; V65-I112 HydrophobicContact CB-CD1 4.16Å; V65-I112 HydrophobicContact CB-CG1 4Å; V65-I112 HydrophobicContact CG1-CD1 4.13Å; V65-I112 HydrophobicContact CG1-CG1 4.28Å; V65-I112 HydrophobicContact CG2-CD1 4.02Å; V65-I112 HydrophobicContact CG2-CG1 4.21Å
66E94.9Very high89.2Confident4 Ų474.9 Ų74.92%0.01938%0.384CS..EExtended strand (participates in β ladder)trans-114.4131.3171.9-70.8178172.600110.9R48 W79 W80 R113 L115 N116R48-E66 IonicContact CZ-OE1 2.78Å; R48-E66 IonicContact CZ-OE2 2.97Å; R48-E66 IonicContact NH1-OE1 3.58Å; R48-E66 PolarHBondContact NH1-OE1 3.35Å; R48-E66 IonicContact NH2-OE1 2.74Å; R48-E66 PolarHBondContact NH2-OE1 3.09Å; R48-E66 IonicContact NH2-OE2 2.95Å; R48-E66 PolarHBondContact NH2-OE2 3.41Å; E66-W79 HydrophobicContact CB-CB 4.37Å; E66-W79 HydrophobicContact CB-CE3 4.13Å; E66-W80 CarbonylContact C-O 3.57Å; E66-W80 VanDerWaalsContact CA-O 3.3Å; E66-W80 WeakPolarHBondContact CA-O 3.41Å; E66-R113 HydrophobicContact CB-CG 3.85Å; E66-R113 PolarHBondContact N-O 3.45Å; E66-R113 PolarHBondContact O-N 3.01Å; E66-R113 IonicContact OE2-CZ 2.65Å; E66-R113 VanDerWaalsContact OE2-CZ 3.22Å; E66-R113 IonicContact OE2-NE 3.22Å; E66-R113 PolarHBondContact OE2-NE 2.92Å; E66-R113 IonicContact OE2-NH2 3.2Å; E66-R113 PolarHBondContact OE2-NH2 3.2Å; E66-L115 HydrophobicContact CG-CD1 3.96Å; E66-N116 PolarHBondContact OE1-N 3.26Å
67V94.6Very high89.5Confident0 Ų069 Ų690%036%0.362CS..EExtended strand (participates in β ladder)trans-117.6131.7-170.4175.80000110.2V65 S69 W79 W80 A82 I94 Y96 V107 R111 I112V65-V67 HydrophobicContact CG2-CG2 4.33Å; V67-S69 PolarHBondContact O-N 3.19Å; V67-W79 WeakPolarHBondContact O-CA 3.36Å; V67-W80 PolarHBondContact N-O 3.13Å; V67-W80 PolarHBondContact O-N 3.28Å; V67-A82 HydrophobicContact CG2-CB 3.79Å; V67-I94 HydrophobicContact CB-CD1 4.11Å; V67-I94 HydrophobicContact CG1-CD1 3.59Å; V67-I94 HydrophobicContact CG2-CD1 3.6Å; V67-I94 HydrophobicContact CG2-CG2 4.38Å; V67-Y96 HydrophobicContact CB-CE1 4.26Å; V67-Y96 HydrophobicContact CG1-CE1 4.22Å; V67-V107 HydrophobicContact CG1-CG1 4.1Å; V67-R111 CarbonylContact C-O 3.59Å; V67-R111 WeakPolarHBondContact CA-O 3.49Å; V67-I112 HydrophobicContact CG2-CG1 4.3Å
68Y94.5Very high89.7Confident97 Ų9764.8 Ų64.838%0.3834%0.343SS..EExtended strand (participates in β ladder)trans-83107.4179.1-160.8-126.4000110.5C77 G78 W79 R111Y68-C77 HydrophobicContact CD1-CB 3.86Å; Y68-C77 HydrophobicContact CD2-CB 3.89Å; Y68-C77 HydrophobicContact CE1-CB 3.55Å; Y68-C77 HydrophobicContact CE2-CB 3.56Å; Y68-C77 WeakPolarHBondContact CE2-O 3.47Å; Y68-C77 HydrophobicContact CG-CB 4.03Å; Y68-G78 WeakPolarHBondContact CA-O 3.48Å; Y68-W79 AromaticContact CD2-CD2 3.99Å; Y68-W79 HydrophobicContact CD2-CD2 3.99Å; Y68-W79 AromaticContact CD2-CE2 3.69Å; Y68-W79 HydrophobicContact CD2-CE3 4.4Å; Y68-W79 HydrophobicContact CD2-CG 4.46Å; Y68-W79 HydrophobicContact CD2-CH2 4.32Å; Y68-W79 AromaticContact CD2-CZ2 3.88Å; Y68-W79 HydrophobicContact CD2-CZ2 3.88Å; Y68-W79 AromaticContact CD2-NE1 3.98Å; Y68-W79 HydrophobicContact CG-CH2 4.26Å; Y68-W79 HydrophobicContact CG-CZ2 4.22Å; Y68-W79 HydrophobicContact CG-CZ3 4.5Å; Y68-R111 PolarHBondContact N-O 2.78Å; Y68-R111 PolarHBondContact O-NE 2.96Å; Y68-R111 PolarHBondContact O-NH2 2.96Å
69S91Very high90Very high18 Ų1860 Ų6013%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-154.4165.6-173.7-155.30000112.2V67 C77 G78 W80 Y96 R111V67-S69 PolarHBondContact O-N 3.19Å; S69-C77 CarbonylContact O-C 3.57Å; S69-C77 VanDerWaalsContact O-CA 3.25Å; S69-C77 WeakPolarHBondContact O-CA 3.39Å; S69-G78 PolarHBondContact N-O 3.39Å; S69-G78 PolarHBondContact O-N 3.38Å; S69-W80 PolarHBondContact O-NE1 3.31Å; S69-Y96 VanDerWaalsContact CB-OH 3.27Å; S69-Y96 WeakPolarHBondContact CB-OH 3.4Å; S69-Y96 PolarHBondContact OG-OH 3.37Å; S69-R111 PolarHBondContact OG-NH2 2.73Å
70R88.8Confident90.1Very high110 Ų11060 Ų6042%0.41531%0.312SS..  trans-124139.4178.663.6-177.6-177153.68.2110.4N72 E73R70-N72 VanDerWaalsContact C-N 3.34Å; R70-N72 VanDerWaalsContact CD-O 3.32Å; R70-N72 WeakPolarHBondContact CD-O 3.42Å; R70-N72 WeakPolarHBondContact CG-O 3.39Å; R70-E73 IonicContact CZ-OE1 3.68Å; R70-E73 IonicContact NH1-OE1 3.71Å; R70-E73 IonicContact NH2-OE1 2.79Å; R70-E73 PolarHBondContact NH2-OE1 3.04Å
71A81.4Confident90.2Very high59 Ų5962.2 Ų62.249%0.48832%0.318SS..SBendtrans-72.4-28.9-179.600000113.2W80A71-W80 HydrophobicContact CB-CH2 3.89Å; A71-W80 HydrophobicContact CB-CZ2 3.8Å
72N81.2Confident90.2Very high64 Ų6457 Ų5734%0.34229%0.294SS..SBendtrans-152.9179.7-179.858.465.7000109.3R70 Q74 E75R70-N72 VanDerWaalsContact C-N 3.34Å; R70-N72 VanDerWaalsContact CD-O 3.32Å; R70-N72 WeakPolarHBondContact CD-O 3.42Å; R70-N72 WeakPolarHBondContact CG-O 3.39Å; N72-Q74 VanDerWaalsContact C-N 3.35Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.47Å; N72-Q74 PolarHBondContact OD1-N 2.86Å; N72-E75 VanDerWaalsContact ND2-CD 3.3Å; N72-E75 PolarHBondContact ND2-OE1 3.01Å; N72-E75 PolarHBondContact OD1-N 2.86Å
73E83.2Confident90.4Very high153 Ų15359.2 Ų59.272%0.71529%0.286SS*.SBendtrans-80.2-12.8-176.8-58-145.198.300115.3R70R70-E73 IonicContact CZ-OE1 3.68Å; R70-E73 IonicContact NH1-OE1 3.71Å; R70-E73 IonicContact NH2-OE1 2.79Å; R70-E73 PolarHBondContact NH2-OE1 3.04Å
74Q80.9Confident90.4Very high185 Ų18556.1 Ų56.186%0.86427%0.272SS*.SBendtrans-90.5-27.2-177.1-58.8176.15.900111.6N72N72-Q74 VanDerWaalsContact C-N 3.35Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.47Å; N72-Q74 PolarHBondContact OD1-N 2.86Å
75E85.1Confident90.3Very high41 Ų4158.7 Ų58.719%0.19228%0.277CS..SBendtrans-81144172.6-72174.4-147.400112.3N12 Y16 W36 N72N12-E75 PolarHBondContact ND2-OE2 3.14Å; Y16-E75 PolarHBondContact OH-OE2 3.24Å; W36-E75 HydrophobicContact CH2-CG 4.12Å; W36-E75 HydrophobicContact CZ3-CB 4.32Å; W36-E75 HydrophobicContact CZ3-CG 3.77Å; N72-E75 VanDerWaalsContact ND2-CD 3.3Å; N72-E75 PolarHBondContact ND2-OE1 3.01Å; N72-E75 PolarHBondContact OD1-N 2.86Å
76P89.9Confident90.1Very high49 Ų4963.7 Ų63.732%0.31830%0.302SS..PPolyproline II helixtrans-69.4165.2163.533.5-35.4000110.4Y16 W36 G78Y16-P76 HydrophobicContact CD1-CG 4.22Å; Y16-P76 HydrophobicContact CE1-CG 4.45Å; W36-P76 HydrophobicContact CD2-CG 3.61Å; W36-P76 VanDerWaalsContact CE2-CG 3.5Å; W36-P76 VanDerWaalsContact CE3-CD 3.41Å; W36-P76 HydrophobicContact CE3-CG 4.22Å; W36-P76 HydrophobicContact CG-CG 3.77Å; W36-P76 HydrophobicContact CZ2-CG 4.01Å; P76-G78 PolarHBondContact O-N 3.01Å
77C91.6Very high90Very high44 Ų4467 Ų6730%0.29732%0.318SS..PPolyproline II helixtrans-65.3136.9171.3-64.10000111.3Y68 S69Y68-C77 HydrophobicContact CD1-CB 3.86Å; Y68-C77 HydrophobicContact CD2-CB 3.89Å; Y68-C77 HydrophobicContact CE1-CB 3.55Å; Y68-C77 HydrophobicContact CE2-CB 3.56Å; Y68-C77 WeakPolarHBondContact CE2-O 3.47Å; Y68-C77 HydrophobicContact CG-CB 4.03Å; S69-C77 CarbonylContact O-C 3.57Å; S69-C77 VanDerWaalsContact O-CA 3.25Å; S69-C77 WeakPolarHBondContact O-CA 3.39Å
78G92.8Very high89.8Confident1 Ų175 Ų751%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-120.6177.4168.700000110.8F15 Y68 S69 P76 W80F15-G78 WeakPolarHBondContact O-CA 3.49Å; Y68-G78 WeakPolarHBondContact CA-O 3.48Å; S69-G78 PolarHBondContact N-O 3.39Å; S69-G78 PolarHBondContact O-N 3.38Å; P76-G78 PolarHBondContact O-N 3.01Å; G78-W80 VanDerWaalsContact O-CD1 3.29Å
79W94.9Very high89.5Confident50 Ų5073.6 Ų73.619%0.18937%0.368CS..EExtended strand (participates in β ladder)trans-95.1117.5176.4-65.9100.9000110.8A14 F15 E66 V67 Y68 R113A14-W79 WeakPolarHBondContact CA-O 3.47Å; F15-W79 HydrophobicContact CB-CB 4.28Å; F15-W79 PolarHBondContact N-O 3.38Å; F15-W79 PolarHBondContact O-N 3.29Å; E66-W79 HydrophobicContact CB-CB 4.37Å; E66-W79 HydrophobicContact CB-CE3 4.13Å; V67-W79 WeakPolarHBondContact O-CA 3.36Å; Y68-W79 AromaticContact CD2-CD2 3.99Å; Y68-W79 HydrophobicContact CD2-CD2 3.99Å; Y68-W79 AromaticContact CD2-CE2 3.69Å; Y68-W79 HydrophobicContact CD2-CE3 4.4Å; Y68-W79 HydrophobicContact CD2-CG 4.46Å; Y68-W79 HydrophobicContact CD2-CH2 4.32Å; Y68-W79 AromaticContact CD2-CZ2 3.88Å; Y68-W79 HydrophobicContact CD2-CZ2 3.88Å; Y68-W79 AromaticContact CD2-NE1 3.98Å; Y68-W79 HydrophobicContact CG-CH2 4.26Å; Y68-W79 HydrophobicContact CG-CZ2 4.22Å; Y68-W79 HydrophobicContact CG-CZ3 4.5Å; W79-R113 HydrophobicContact CD2-CG 4.5Å; W79-R113 HydrophobicContact CE3-CG 3.76Å; W79-R113 HydrophobicContact CH2-CB 4.37Å; W79-R113 HydrophobicContact CH2-CG 4.07Å; W79-R113 HydrophobicContact CZ3-CB 4.06Å; W79-R113 HydrophobicContact CZ3-CG 3.51Å
80W93.3Very high89.4Confident26 Ų2679.4 Ų79.410%0.09839%0.393CS..EExtended strand (participates in β ladder)trans-106.3136.2-176.7-64.278.8000110.8N12 A14 E66 V67 S69 A71 G78 A82 Y96N12-W80 HydrophobicContact CB-CH2 3.92Å; N12-W80 HydrophobicContact CB-CZ3 4.29Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.35Å; A14-W80 HydrophobicContact CB-CD2 3.62Å; A14-W80 VanDerWaalsContact CB-CE2 3.44Å; A14-W80 HydrophobicContact CB-CE3 3.95Å; A14-W80 HydrophobicContact CB-CG 4.12Å; A14-W80 HydrophobicContact CB-CH2 3.98Å; A14-W80 HydrophobicContact CB-CZ2 3.63Å; A14-W80 HydrophobicContact CB-CZ3 4.12Å; E66-W80 CarbonylContact C-O 3.57Å; E66-W80 VanDerWaalsContact CA-O 3.3Å; E66-W80 WeakPolarHBondContact CA-O 3.41Å; V67-W80 PolarHBondContact N-O 3.13Å; V67-W80 PolarHBondContact O-N 3.28Å; S69-W80 PolarHBondContact O-NE1 3.31Å; A71-W80 HydrophobicContact CB-CH2 3.89Å; A71-W80 HydrophobicContact CB-CZ2 3.8Å; G78-W80 VanDerWaalsContact O-CD1 3.29Å; W80-A82 PolarHBondContact O-N 3.46Å; W80-Y96 HydrophobicContact CB-CD1 3.78Å; W80-Y96 HydrophobicContact CB-CE1 3.64Å; W80-Y96 HydrophobicContact CG-CD1 4.36Å; W80-Y96 HydrophobicContact CG-CE1 4.02Å
81L92.9Very high89.6Confident71 Ų7179.5 Ų79.537%0.37240%0.397SS..EExtended strand (participates in β ladder)trans-69.3127.2172.2-176.168000110.2E64 A97 L115E64-L81 HydrophobicContact CB-CD1 4.46Å; L81-A97 HydrophobicContact CB-CB 4.19Å; L81-A97 HydrophobicContact CD2-CB 3.88Å; L81-A97 HydrophobicContact CG-CB 3.89Å; L81-A97 WeakPolarHBondContact O-CB 3.36Å; L81-A97 PolarHBondContact O-N 3.17Å; L81-L115 HydrophobicContact CD1-CD1 3.62Å
82A92.9Very high90.2Very high2 Ų278.4 Ų78.42%0.01738%0.38CS..EExtended strand (participates in β ladder)trans-144169.3177.400000110.7E64 V65 V67 W80 I94 E95 Y96E64-A82 WeakPolarHBondContact CA-O 3.27Å; V65-A82 HydrophobicContact CG2-CB 4.21Å; V65-A82 WeakPolarHBondContact CG2-O 3.45Å; V65-A82 PolarHBondContact N-O 3.12Å; V65-A82 PolarHBondContact O-N 3.13Å; V65-A82 VanDerWaalsContact O-O 3.11Å; V67-A82 HydrophobicContact CG2-CB 3.79Å; W80-A82 PolarHBondContact O-N 3.46Å; A82-I94 HydrophobicContact CB-CB 4.42Å; A82-E95 CarbonylContact C-O 3.59Å; A82-E95 WeakPolarHBondContact CA-O 3.36Å; A82-E95 WeakPolarHBondContact CB-O 3.28Å; A82-Y96 HydrophobicContact CB-CD1 4.31Å
83R93Very high90.7Very high98 Ų9877.1 Ų77.137%0.3738%0.375SS..EExtended strand (participates in β ladder)trans-120.4137174178.2173.855.1-115.7-2.9110E63 R85 I94 E95E63-R83 CarbonylContact O-C 3.57Å; E63-R83 WeakPolarHBondContact O-CA 3.32Å; R83-R85 PolarHBondContact O-N 3.05Å; R83-I94 WeakPolarHBondContact O-CA 3.44Å; R83-E95 IonicContact CZ-OE2 2.74Å; R83-E95 PolarHBondContact N-O 2.85Å; R83-E95 IonicContact NE-OE2 2.93Å; R83-E95 IonicContact NH2-OE1 2.69Å; R83-E95 PolarHBondContact NH2-OE1 3.07Å; R83-E95 IonicContact NH2-OE2 3.64Å; R83-E95 PolarHBondContact NH2-OE2 3.45Å; R83-E95 PolarHBondContact O-N 3.28Å
84V93.4Very high91.2Very high1 Ų169.9 Ų69.91%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-75.3122.7173.8-178.30000109.1I59 G60 G62 E63 V65 Y92 I112I59-V84 HydrophobicContact CG2-CG2 3.68Å; G60-V84 WeakPolarHBondContact O-CB 3.16Å; G62-V84 VanDerWaalsContact CA-O 3.28Å; G62-V84 WeakPolarHBondContact CA-O 3.3Å; G62-V84 PolarHBondContact N-O 2.65Å; E63-V84 PolarHBondContact O-N 2.91Å; V65-V84 HydrophobicContact CB-CG2 4.43Å; V65-V84 HydrophobicContact CG1-CG2 3.75Å; V65-V84 HydrophobicContact CG2-CG2 3.8Å; V84-Y92 HydrophobicContact CG1-CD1 4.29Å; V84-I112 HydrophobicContact CG2-CD1 4.01Å
85R91.6Very high91.7Very high158 Ų15862.8 Ų62.860%0.59631%0.308SS*.EExtended strand (participates in β ladder)trans-96.5-32.9179.3-175.3177.6176.7-170.81.3112.9R83 V93 N104R83-R85 PolarHBondContact O-N 3.05Å; R85-V93 HydrophobicContact CB-CG1 4.49Å; R85-V93 PolarHBondContact N-O 2.98Å; R85-N104 WeakPolarHBondContact CD-OD1 3.45Å; R85-N104 PolarHBondContact NH1-OD1 2.91Å
86M90.9Very high91.9Very high106 Ų10661.4 Ų61.452%0.52230%0.301SS..EExtended strand (participates in β ladder)trans-160.5146.9177.9-178.3179.1-71.400109.8E61 V93E61-M86 VanDerWaalsContact OE1-CA 3.22Å; E61-M86 WeakPolarHBondContact OE1-CA 3.5Å; M86-V93 HydrophobicContact CB-CB 4.17Å; M86-V93 HydrophobicContact CB-CG2 4.17Å; M86-V93 PolarHBondContact N-O 3.03Å; M86-V93 PolarHBondContact O-N 3.33Å
87M91.6Very high91.7Very high75 Ų7562.3 Ų62.337%0.36931%0.313SS..EExtended strand (participates in β ladder)trans-123.5138.8172.268.9-165-63.300111.5E61 F91 Y92E61-M87 HydrophobicContact CG-CB 4.33Å; E61-M87 HydrophobicContact CG-CG 3.69Å; E61-M87 HydrophobicContact CG-SD 3.89Å; E61-M87 PolarHBondContact OE1-N 2.81Å; M87-F91 WeakPolarHBondContact CA-O 3.38Å; M87-Y92 HydrophobicContact CB-CD1 4.1Å; M87-Y92 HydrophobicContact CB-CE1 4.32Å; M87-Y92 HydrophobicContact CE-CE1 4.03Å
88K91.4Very high90.8Very high168 Ų16863.3 Ų63.373%0.7332%0.324SS*.EExtended strand (participates in β ladder)trans-145.494.1179.6-170.6176.7-180179.30111.2E90 F91K88-E90 PolarHBondContact O-N 3.1Å; K88-F91 PolarHBondContact N-O 3.25Å; K88-F91 PolarHBondContact O-N 3.41Å
89G87.6Confident89.6Confident67 Ų6766.5 Ų66.569%0.69135%0.345SS*.THydrogen-bonded Turntrans65.6-128.7-169.700000109.7F91G89-F91 VanDerWaalsContact C-N 3.27Å; G89-F91 PolarHBondContact O-N 3.19Å
90E88.6Confident88Confident139 Ų13970.7 Ų70.765%0.6537%0.371SS*.THydrogen-bonded Turntrans-830.3-178.6-59177.5149.200113.8K88 T108 S109K88-E90 PolarHBondContact O-N 3.1Å; E90-T108 WeakPolarHBondContact O-CA 3.26Å; E90-S109 PolarHBondContact O-N 2.79Å
91F93Very high86.5Confident113 Ų11372.3 Ų72.350%0.49639%0.39SS..EExtended strand (participates in β ladder)trans-102.5129.7-178.3-60.9-77.6000112.2M87 K88 G89 I106 T108M87-F91 WeakPolarHBondContact CA-O 3.38Å; K88-F91 PolarHBondContact N-O 3.25Å; K88-F91 PolarHBondContact O-N 3.41Å; G89-F91 VanDerWaalsContact C-N 3.27Å; G89-F91 PolarHBondContact O-N 3.19Å; F91-I106 HydrophobicContact CB-CG2 4.06Å; F91-I106 HydrophobicContact CD1-CG2 4.07Å; F91-I106 HydrophobicContact CG-CG2 4.45Å; F91-T108 HydrophobicContact CD1-CG2 4.1Å; F91-T108 HydrophobicContact CE1-CG2 3.89Å
92Y93.6Very high84.9Confident35 Ų3574.9 Ų74.914%0.13741%0.409CS..EExtended strand (participates in β ladder)trans-114.3123.9177.5-57.2-97.9000109I59 V84 M87 I106 V107 I112I59-Y92 HydrophobicContact CB-CE1 4.3Å; I59-Y92 HydrophobicContact CG2-CD1 4.21Å; I59-Y92 HydrophobicContact CG2-CE1 3.97Å; V84-Y92 HydrophobicContact CG1-CD1 4.29Å; M87-Y92 HydrophobicContact CB-CD1 4.1Å; M87-Y92 HydrophobicContact CB-CE1 4.32Å; M87-Y92 HydrophobicContact CE-CE1 4.03Å; Y92-I106 WeakPolarHBondContact O-CA 3.46Å; Y92-V107 PolarHBondContact N-O 3.05Å; Y92-V107 PolarHBondContact O-N 3.43Å; Y92-I112 HydrophobicContact CD1-CD1 4.06Å; Y92-I112 HydrophobicContact CD2-CD1 4.42Å; Y92-I112 HydrophobicContact CD2-CG2 3.99Å; Y92-I112 HydrophobicContact CE2-CG2 4.1Å; Y92-I112 HydrophobicContact CG-CD1 3.9Å; Y92-I112 HydrophobicContact CG-CG2 4.48Å
93V93.6Very high84Confident38 Ų3881.1 Ų81.123%0.2343%0.433CS..EExtended strand (participates in β ladder)trans-86.1120.1169-173.30000107.4R85 M86 I106R85-V93 HydrophobicContact CB-CG1 4.49Å; R85-V93 PolarHBondContact N-O 2.98Å; M86-V93 HydrophobicContact CB-CB 4.17Å; M86-V93 HydrophobicContact CB-CG2 4.17Å; M86-V93 PolarHBondContact N-O 3.03Å; M86-V93 PolarHBondContact O-N 3.33Å; V93-I106 HydrophobicContact CG2-CG1 4.42Å
94I93.1Very high83.5Confident0 Ų079 Ų790%043%0.429CS..EExtended strand (participates in β ladder)trans-120.2151.2-172.954.6162.3000112.3V67 A82 R83 Y96 N104 E105 V107 I112V67-I94 HydrophobicContact CB-CD1 4.11Å; V67-I94 HydrophobicContact CG1-CD1 3.59Å; V67-I94 HydrophobicContact CG2-CD1 3.6Å; V67-I94 HydrophobicContact CG2-CG2 4.38Å; A82-I94 HydrophobicContact CB-CB 4.42Å; R83-I94 WeakPolarHBondContact O-CA 3.44Å; I94-Y96 HydrophobicContact CD1-CE2 3.96Å; I94-N104 VanDerWaalsContact O-CA 3.31Å; I94-N104 WeakPolarHBondContact O-CA 3.38Å; I94-E105 HydrophobicContact CD1-CB 4.08Å; I94-E105 HydrophobicContact CG1-CB 3.94Å; I94-E105 VanDerWaalsContact CG1-O 3.27Å; I94-E105 WeakPolarHBondContact CG1-O 3.4Å; I94-E105 PolarHBondContact N-O 3Å; I94-E105 PolarHBondContact O-N 2.68Å; I94-E105 VanDerWaalsContact O-N 3.09Å; I94-V107 HydrophobicContact CD1-CB 4.44Å; I94-V107 HydrophobicContact CD1-CG1 3.59Å; I94-V107 HydrophobicContact CD1-CG2 3.95Å; I94-V107 HydrophobicContact CG1-CG1 4.23Å; I94-V107 HydrophobicContact CG1-CG2 4.21Å; I94-V107 HydrophobicContact CG2-CG2 4.01Å; I94-I112 HydrophobicContact CG2-CD1 4.22Å
95E91.6Very high83.3Confident37 Ų3780.6 Ų80.617%0.17344%0.437CS..EExtended strand (participates in β ladder)trans-122.1120175.2-173.3-168.5161.500108.4A82 R83 A101A82-E95 CarbonylContact C-O 3.59Å; A82-E95 WeakPolarHBondContact CA-O 3.36Å; A82-E95 WeakPolarHBondContact CB-O 3.28Å; R83-E95 IonicContact CZ-OE2 2.74Å; R83-E95 PolarHBondContact N-O 2.85Å; R83-E95 IonicContact NE-OE2 2.93Å; R83-E95 IonicContact NH2-OE1 2.69Å; R83-E95 PolarHBondContact NH2-OE1 3.07Å; R83-E95 IonicContact NH2-OE2 3.64Å; R83-E95 PolarHBondContact NH2-OE2 3.45Å; R83-E95 PolarHBondContact O-N 3.28Å; E95-A101 VanDerWaalsContact OE1-CB 3.25Å; E95-A101 WeakPolarHBondContact OE1-CB 3.32Å
96Y89.8Confident83.4Confident12 Ų1278.4 Ų78.45%0.04744%0.436CS..EExtended strand (participates in β ladder)trans-78.4131.9-176.3-74.7-88.6000111.9V67 S69 W80 A82 I94 A98 C99 Y103 E105V67-Y96 HydrophobicContact CB-CE1 4.26Å; V67-Y96 HydrophobicContact CG1-CE1 4.22Å; S69-Y96 VanDerWaalsContact CB-OH 3.27Å; S69-Y96 WeakPolarHBondContact CB-OH 3.4Å; S69-Y96 PolarHBondContact OG-OH 3.37Å; W80-Y96 HydrophobicContact CB-CD1 3.78Å; W80-Y96 HydrophobicContact CB-CE1 3.64Å; W80-Y96 HydrophobicContact CG-CD1 4.36Å; W80-Y96 HydrophobicContact CG-CE1 4.02Å; A82-Y96 HydrophobicContact CB-CD1 4.31Å; I94-Y96 HydrophobicContact CD1-CE2 3.96Å; Y96-A98 PolarHBondContact O-N 2.98Å; Y96-C99 PolarHBondContact O-N 2.78Å; Y96-Y103 AromaticContact CD2-CD1 3.91Å; Y96-Y103 HydrophobicContact CD2-CD1 3.91Å; Y96-Y103 HydrophobicContact CD2-CE1 4.15Å; Y96-Y103 HydrophobicContact CE2-CD1 4.23Å; Y96-Y103 AromaticContact CE2-CE1 3.99Å; Y96-Y103 HydrophobicContact CE2-CE1 3.99Å; Y96-E105 HydrophobicContact CE2-CB 3.95Å; Y96-E105 VanDerWaalsContact CE2-OE2 3.27Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.35Å; Y96-E105 VanDerWaalsContact CZ-OE2 3.31Å; Y96-E105 PolarHBondContact OH-OE2 3.09Å
97A84.6Confident83.5Confident68 Ų6873.5 Ų73.556%0.56241%0.412SS*.THydrogen-bonded Turntrans-71.9-10.7-177.800000114.5L81L81-A97 HydrophobicContact CB-CB 4.19Å; L81-A97 HydrophobicContact CD2-CB 3.88Å; L81-A97 HydrophobicContact CG-CB 3.89Å; L81-A97 WeakPolarHBondContact O-CB 3.36Å; L81-A97 PolarHBondContact O-N 3.17Å
98A73.4Confident83.6Confident65 Ų6572.1 Ų72.154%0.53741%0.407SS..THydrogen-bonded Turntrans-103.22.218000000113.9Y96Y96-A98 PolarHBondContact O-N 2.98Å
99C66Low83.5Confident67 Ų6767 Ų6745%0.45339%0.392SS..SBendtrans-124.1161.4-178.4-64.40000110.6Y96Y96-C99 PolarHBondContact O-N 2.78Å
100D61.8Low83.7Confident138 Ų13871.9 Ų71.974%0.73840%0.397SS*.  trans-60.4140.6168.2-70.4-46.7000110.7T102 Y103D100-T102 PolarHBondContact O-N 3.42Å; D100-Y103 PolarHBondContact O-N 3.14Å
101A61.4Low83.9Confident61 Ų6168.7 Ų68.750%0.50438%0.38SS..THydrogen-bonded Turntrans-58.8-2.7-174.400000115.8E95 N104E95-A101 VanDerWaalsContact OE1-CB 3.25Å; E95-A101 WeakPolarHBondContact OE1-CB 3.32Å; A101-N104 PolarHBondContact O-ND2 3.14Å
102T59.7Low83.9Confident125 Ų12564 Ų6477%0.76736%0.359SS*.THydrogen-bonded Turntrans-71.7-30.9170.150.40000112.4D100 N104D100-T102 PolarHBondContact O-N 3.42Å; T102-N104 PolarHBondContact O-N 2.79Å; T102-N104 PolarHBondContact O-ND2 3.39Å; T102-N104 VanDerWaalsContact O-ND2 3.1Å
103Y74.4Confident83.9Confident133 Ų13363.9 Ų63.952%0.52236%0.359SS..  trans-84.1100.4-177.1-164.8-94.5000112.1Y96 D100Y96-Y103 AromaticContact CD2-CD1 3.91Å; Y96-Y103 HydrophobicContact CD2-CD1 3.91Å; Y96-Y103 HydrophobicContact CD2-CE1 4.15Å; Y96-Y103 HydrophobicContact CE2-CD1 4.23Å; Y96-Y103 AromaticContact CE2-CE1 3.99Å; Y96-Y103 HydrophobicContact CE2-CE1 3.99Å; D100-Y103 PolarHBondContact O-N 3.14Å
104N83.1Confident83.9Confident53 Ų5363 Ų6328%0.28335%0.354SS..EExtended strand (participates in β ladder)trans-109.5129.7177.3-66.4-119.9000108.8R85 I94 A101 T102R85-N104 WeakPolarHBondContact CD-OD1 3.45Å; R85-N104 PolarHBondContact NH1-OD1 2.91Å; I94-N104 VanDerWaalsContact O-CA 3.31Å; I94-N104 WeakPolarHBondContact O-CA 3.38Å; A101-N104 PolarHBondContact O-ND2 3.14Å; T102-N104 PolarHBondContact O-N 2.79Å; T102-N104 PolarHBondContact O-ND2 3.39Å; T102-N104 VanDerWaalsContact O-ND2 3.1Å
105E89.6Confident83.9Confident35 Ų3566.3 Ų66.316%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-111.7155.4173.9-172.5179164.800110.2I94 Y96 V107 R111I94-E105 HydrophobicContact CD1-CB 4.08Å; I94-E105 HydrophobicContact CG1-CB 3.94Å; I94-E105 VanDerWaalsContact CG1-O 3.27Å; I94-E105 WeakPolarHBondContact CG1-O 3.4Å; I94-E105 PolarHBondContact N-O 3Å; I94-E105 PolarHBondContact O-N 2.68Å; I94-E105 VanDerWaalsContact O-N 3.09Å; Y96-E105 HydrophobicContact CE2-CB 3.95Å; Y96-E105 VanDerWaalsContact CE2-OE2 3.27Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.35Å; Y96-E105 VanDerWaalsContact CZ-OE2 3.31Å; Y96-E105 PolarHBondContact OH-OE2 3.09Å; E105-V107 HydrophobicContact CG-CG1 4.01Å; E105-R111 IonicContact OE1-CZ 3.37Å; E105-R111 IonicContact OE1-NH1 2.73Å; E105-R111 PolarHBondContact OE1-NH1 3.26Å; E105-R111 IonicContact OE1-NH2 3.86Å; E105-R111 PolarHBondContact OE1-NH2 3.48Å; E105-R111 IonicContact OE2-NH2 2.95Å
106I92.6Very high84Confident112 Ų11265 Ų6557%0.57437%0.365SS*.EExtended strand (participates in β ladder)trans-109.7119.4170.1-53.7-179.6000107.8F91 Y92 V93F91-I106 HydrophobicContact CB-CG2 4.06Å; F91-I106 HydrophobicContact CD1-CG2 4.07Å; F91-I106 HydrophobicContact CG-CG2 4.45Å; Y92-I106 WeakPolarHBondContact O-CA 3.46Å; V93-I106 HydrophobicContact CG2-CG1 4.42Å
107V93.9Very high84.1Confident3 Ų367.5 Ų67.52%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-120.6154.2-179.4-60.40000111.5V67 Y92 I94 E105 R111 I112V67-V107 HydrophobicContact CG1-CG1 4.1Å; Y92-V107 PolarHBondContact N-O 3.05Å; Y92-V107 PolarHBondContact O-N 3.43Å; I94-V107 HydrophobicContact CD1-CB 4.44Å; I94-V107 HydrophobicContact CD1-CG1 3.59Å; I94-V107 HydrophobicContact CD1-CG2 3.95Å; I94-V107 HydrophobicContact CG1-CG1 4.23Å; I94-V107 HydrophobicContact CG1-CG2 4.21Å; I94-V107 HydrophobicContact CG2-CG2 4.01Å; E105-V107 HydrophobicContact CG-CG1 4.01Å; V107-R111 HydrophobicContact CB-CB 4.29Å; V107-I112 HydrophobicContact CG2-CB 4.2Å; V107-I112 HydrophobicContact CG2-CD1 4.39Å
108T93.2Very high84.5Confident45 Ų4566.4 Ų66.428%0.27637%0.368SS..EExtended strand (participates in β ladder)trans-89.3165.2171.251.80000111.1E90 F91 E110 R111 I112E90-T108 WeakPolarHBondContact O-CA 3.26Å; F91-T108 HydrophobicContact CD1-CG2 4.1Å; F91-T108 HydrophobicContact CE1-CG2 3.89Å; T108-E110 PolarHBondContact O-N 2.78Å; T108-E110 VanDerWaalsContact O-N 3.08Å; T108-R111 PolarHBondContact O-N 3.01Å; T108-I112 WeakPolarHBondContact O-CG2 3.15Å
109S88.3Confident85.3Confident60 Ų6068 Ų6842%0.4238%0.375SS..G310 helixtrans-48.1-30.1171.348.20000114.5E90 R111E90-S109 PolarHBondContact O-N 2.79Å; S109-R111 VanDerWaalsContact C-N 3.3Å; S109-R111 PolarHBondContact O-N 3.41Å
110E91.6Very high86.6Confident170 Ų17068.6 Ų68.679%0.79438%0.378SS*.G310 helixtrans-69-22.3178.5-57.8-178.6149.200114.4T108T108-E110 PolarHBondContact O-N 2.78Å; T108-E110 VanDerWaalsContact O-N 3.08Å
111R93.6Very high88.1Confident73 Ų7362.6 Ų62.628%0.27535%0.348SS..G310 helixtrans-110.26.2-174.6-77.8-174.661.3-142-7.5113.9V67 Y68 S69 E105 V107 T108 S109V67-R111 CarbonylContact C-O 3.59Å; V67-R111 WeakPolarHBondContact CA-O 3.49Å; Y68-R111 PolarHBondContact N-O 2.78Å; Y68-R111 PolarHBondContact O-NE 2.96Å; Y68-R111 PolarHBondContact O-NH2 2.96Å; S69-R111 PolarHBondContact OG-NH2 2.73Å; E105-R111 IonicContact OE1-CZ 3.37Å; E105-R111 IonicContact OE1-NH1 2.73Å; E105-R111 PolarHBondContact OE1-NH1 3.26Å; E105-R111 IonicContact OE1-NH2 3.86Å; E105-R111 PolarHBondContact OE1-NH2 3.48Å; E105-R111 IonicContact OE2-NH2 2.95Å; V107-R111 HydrophobicContact CB-CB 4.29Å; T108-R111 PolarHBondContact O-N 3.01Å; S109-R111 VanDerWaalsContact C-N 3.3Å; S109-R111 PolarHBondContact O-N 3.41Å
112I92.9Very high89.5Confident14 Ų1462.4 Ų62.47%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-129.7140-176.4-168.2176.6000109.5I59 V65 V67 V84 Y92 I94 V107 T108I59-I112 HydrophobicContact CD1-CD1 4.25Å; I59-I112 HydrophobicContact CD1-CG1 4.04Å; I59-I112 HydrophobicContact CD1-CG2 4.32Å; I59-I112 HydrophobicContact CG2-CD1 4.28Å; V65-I112 HydrophobicContact CB-CD1 4.16Å; V65-I112 HydrophobicContact CB-CG1 4Å; V65-I112 HydrophobicContact CG1-CD1 4.13Å; V65-I112 HydrophobicContact CG1-CG1 4.28Å; V65-I112 HydrophobicContact CG2-CD1 4.02Å; V65-I112 HydrophobicContact CG2-CG1 4.21Å; V67-I112 HydrophobicContact CG2-CG1 4.3Å; V84-I112 HydrophobicContact CG2-CD1 4.01Å; Y92-I112 HydrophobicContact CD1-CD1 4.06Å; Y92-I112 HydrophobicContact CD2-CD1 4.42Å; Y92-I112 HydrophobicContact CD2-CG2 3.99Å; Y92-I112 HydrophobicContact CE2-CG2 4.1Å; Y92-I112 HydrophobicContact CG-CD1 3.9Å; Y92-I112 HydrophobicContact CG-CG2 4.48Å; I94-I112 HydrophobicContact CG2-CD1 4.22Å; V107-I112 HydrophobicContact CG2-CB 4.2Å; V107-I112 HydrophobicContact CG2-CD1 4.39Å; T108-I112 WeakPolarHBondContact O-CG2 3.15Å
113R94.2Very high90.8Very high32 Ų3262.3 Ų62.312%0.12133%0.328CS..EExtended strand (participates in β ladder)trans-136.9157.9172.571.3178.9-170-173.85.5110.8E7 E66 W79E7-R113 IonicContact OE1-CZ 2.8Å; E7-R113 VanDerWaalsContact OE1-CZ 3.23Å; E7-R113 IonicContact OE1-NH1 2.68Å; E7-R113 PolarHBondContact OE1-NH1 3.47Å; E7-R113 IonicContact OE1-NH2 2.7Å; E7-R113 PolarHBondContact OE1-NH2 3.49Å; E7-R113 IonicContact OE2-CZ 2.76Å; E7-R113 IonicContact OE2-NH2 2.77Å; E7-R113 PolarHBondContact OE2-NH2 2.67Å; E66-R113 HydrophobicContact CB-CG 3.85Å; E66-R113 PolarHBondContact N-O 3.45Å; E66-R113 PolarHBondContact O-N 3.01Å; E66-R113 IonicContact OE2-CZ 2.65Å; E66-R113 VanDerWaalsContact OE2-CZ 3.22Å; E66-R113 IonicContact OE2-NE 3.22Å; E66-R113 PolarHBondContact OE2-NE 2.92Å; E66-R113 IonicContact OE2-NH2 3.2Å; E66-R113 PolarHBondContact OE2-NH2 3.2Å; W79-R113 HydrophobicContact CD2-CG 4.5Å; W79-R113 HydrophobicContact CE3-CG 3.76Å; W79-R113 HydrophobicContact CH2-CB 4.37Å; W79-R113 HydrophobicContact CH2-CG 4.07Å; W79-R113 HydrophobicContact CZ3-CB 4.06Å; W79-R113 HydrophobicContact CZ3-CG 3.51Å
114P93.3Very high91.5Very high21 Ų2162 Ų6214%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-58.9150.4168.3-21.534.6000111.1Y55 K57 I59 N116Y55-P114 HydrophobicContact CE1-CB 4Å; K57-P114 HydrophobicContact CB-CB 4.03Å; K57-P114 HydrophobicContact CB-CG 3.98Å; K57-P114 HydrophobicContact CD-CB 4.34Å; K57-P114 WeakPolarHBondContact O-CG 3.18Å; I59-P114 HydrophobicContact CD1-CG 4.26Å; I59-P114 HydrophobicContact CG1-CG 4.08Å; P114-N116 PolarHBondContact O-N 2.81Å
115L92.8Very high91.8Very high68 Ų6861.2 Ų61.236%0.35633%0.333SS..PPolyproline II helixtrans-49.2130176.2-173.366.5000111.3E66 L81 P117E66-L115 HydrophobicContact CG-CD1 3.96Å; L81-L115 HydrophobicContact CD1-CD1 3.62Å; L115-P117 WeakPolarHBondContact O-CD 3.21Å
116N94.3Very high92Very high9 Ų960 Ų605%0.04833%0.327CS..PPolyproline II helixtrans-63.5120.1-178177.1-4.2000109.8E7 R48 L49 P51 E66 P114 N118E7-N116 PolarHBondContact OE2-ND2 2.83Å; R48-N116 PolarHBondContact NE-ND2 3.24Å; L49-N116 PolarHBondContact O-ND2 2.89Å; P51-N116 HydrophobicContact CB-CB 4.43Å; P51-N116 WeakPolarHBondContact CD-ND2 3.33Å; E66-N116 PolarHBondContact OE1-N 3.26Å; P114-N116 PolarHBondContact O-N 2.81Å; N116-N118 PolarHBondContact O-N 3.38Å; N116-N118 WeakPolarHBondContact OD1-CB 3.34Å; N116-N118 PolarHBondContact OD1-N 3.37Å; N116-N118 PolarHBondContact OD1-ND2 3.32Å
117P92.3Very high91.9Very high66 Ų6656.5 Ų56.543%0.42931%0.308SS..  trans-74.7-9.5-173.331.1-36.8000113.4Y55 L115 S119Y55-P117 HydrophobicContact CD1-CG 4Å; Y55-P117 HydrophobicContact CD2-CG 4.17Å; Y55-P117 HydrophobicContact CE1-CG 3.9Å; Y55-P117 HydrophobicContact CE2-CB 4.48Å; Y55-P117 HydrophobicContact CE2-CG 4.09Å; Y55-P117 HydrophobicContact CG-CG 4.13Å; L115-P117 WeakPolarHBondContact O-CD 3.21Å; P117-S119 PolarHBondContact O-N 2.91Å
118N92.6Very high91.8Very high44 Ų4459.9 Ų59.924%0.23532%0.322CS..PPolyproline II helixtrans-74.3119.6177-63.6-78.7000110.7L49 P50 N116L49-N118 HydrophobicContact CB-CB 4.23Å; L49-N118 PolarHBondContact O-ND2 2.83Å; P50-N118 PolarHBondContact O-ND2 2.89Å; N116-N118 PolarHBondContact O-N 3.38Å; N116-N118 WeakPolarHBondContact OD1-CB 3.34Å; N116-N118 PolarHBondContact OD1-N 3.37Å; N116-N118 PolarHBondContact OD1-ND2 3.32Å
119S90.6Very high91.8Very high98 Ų9858.6 Ų58.669%0.68531%0.314SS*.PPolyproline II helixtrans-60.6159.6165.7-62.80000111.4P117P117-S119 PolarHBondContact O-N 2.91Å
120P91.6Very high92.1Very high81 Ų8158.3 Ų58.353%0.52631%0.31SS..BIsolated β-bridgetrans-51.4150.6168.2-26.735.9000112.7
121A93.4Very high92.3Very high12 Ų1250.8 Ų50.810%0.09928%0.275CS..PPolyproline II helixtrans-68.4160.8-178.400000112F44 V47 T125 F126F44-A121 CarbonylContact C-O 3.59Å; F44-A121 HydrophobicContact CB-CB 4.28Å; F44-A121 WeakPolarHBondContact CB-O 3.46Å; F44-A121 HydrophobicContact CD1-CB 4.37Å; F44-A121 PolarHBondContact O-N 2.9Å; V47-A121 VanDerWaalsContact O-CB 3.29Å; V47-A121 WeakPolarHBondContact O-CB 3.26Å; V47-A121 PolarHBondContact O-N 3.43Å; A121-T125 HydrophobicContact CB-CG2 3.97Å; A121-F126 HydrophobicContact CB-CD2 4.28Å; A121-F126 HydrophobicContact CB-CE2 3.56Å; A121-F126 HydrophobicContact CB-CZ 4.4Å
122S91.6Very high92.5Very high56 Ų5651.9 Ų51.939%0.39229%0.292SS..  trans-121.8167.9171.673.60000109.9F44 N124 T125F44-S122 WeakPolarHBondContact CD1-O 3.3Å; S122-N124 PolarHBondContact O-N 2.84Å; S122-N124 PolarHBondContact OG-N 3.11Å; S122-T125 PolarHBondContact N-OG1 2.96Å; S122-T125 VanDerWaalsContact O-CB 3.3Å; S122-T125 WeakPolarHBondContact O-CB 3.24Å; S122-T125 PolarHBondContact O-N 3.42Å; S122-T125 PolarHBondContact O-OG1 3.29Å; S122-T125 PolarHBondContact OG-N 3.03Å; S122-T125 PolarHBondContact OG-OG1 3.16Å
123R87.5Confident92.7Very high123 Ų12351.6 Ų51.646%0.46429%0.29SS..THydrogen-bonded Turntrans-54.9-19.1170.7-178.6168.1162.7155.7-2.4114.1E25 D26 F44E25-R123 WeakPolarHBondContact O-CD 3.41Å; E25-R123 WeakPolarHBondContact O-CG 3.4Å; E25-R123 PolarHBondContact O-NE 3.33Å; E25-R123 IonicContact OE1-CZ 2.65Å; E25-R123 VanDerWaalsContact OE1-CZ 3.28Å; E25-R123 IonicContact OE1-NH1 2.69Å; E25-R123 PolarHBondContact OE1-NH1 3.09Å; E25-R123 VanDerWaalsContact OE1-NH1 3.07Å; E25-R123 IonicContact OE1-NH2 2.75Å; E25-R123 PolarHBondContact OE1-NH2 3.19Å; D26-R123 IonicContact OD1-CZ 3.15Å; D26-R123 IonicContact OD1-NH1 3.07Å; D26-R123 PolarHBondContact OD1-NH1 3.1Å; F44-R123 HydrophobicContact CD2-CB 4.25Å; F44-R123 HydrophobicContact CE2-CB 3.93Å; F44-R123 HydrophobicContact CE2-CG 4.26Å; F44-R123 HydrophobicContact CZ-CB 4.4Å
124N88.1Confident92.8Very high127 Ų12751.7 Ų51.768%0.67930%0.295SS*.THydrogen-bonded Turntrans-102.45.3177.4-63.1-5.3000113.5S122S122-N124 PolarHBondContact O-N 2.84Å; S122-N124 PolarHBondContact OG-N 3.11Å
125T90.7Very high92.8Very high37 Ų3757.6 Ų57.623%0.22732%0.321CS..SBendtrans-85.1-23.2-177.5-60.20000113A121 S122 T173A121-T125 HydrophobicContact CB-CG2 3.97Å; S122-T125 PolarHBondContact N-OG1 2.96Å; S122-T125 VanDerWaalsContact O-CB 3.3Å; S122-T125 WeakPolarHBondContact O-CB 3.24Å; S122-T125 PolarHBondContact O-N 3.42Å; S122-T125 PolarHBondContact O-OG1 3.29Å; S122-T125 PolarHBondContact OG-N 3.03Å; S122-T125 PolarHBondContact OG-OG1 3.16Å; T125-T173 WeakPolarHBondContact O-CA 3.33Å
126F92.6Very high92.9Very high8 Ų858.7 Ų58.74%0.03533%0.327CS..  trans-132.4132.9-179.1-58.1-69.7000110.7L4 V6 I20 V23 L28 F44 V47 L49 A121 T173L4-F126 HydrophobicContact CD2-CD1 3.72Å; L4-F126 HydrophobicContact CD2-CE1 3.65Å; L4-F126 HydrophobicContact CG-CE1 4.43Å; V6-F126 HydrophobicContact CG1-CE1 4.17Å; V6-F126 HydrophobicContact CG1-CZ 3.8Å; I20-F126 HydrophobicContact CD1-CD1 3.52Å; I20-F126 HydrophobicContact CD1-CD2 3.91Å; I20-F126 HydrophobicContact CD1-CE1 3.46Å; I20-F126 VanDerWaalsContact CD1-CE1 3.46Å; I20-F126 HydrophobicContact CD1-CE2 3.85Å; I20-F126 HydrophobicContact CD1-CG 3.75Å; I20-F126 HydrophobicContact CD1-CZ 3.64Å; V23-F126 HydrophobicContact CG1-CB 4.36Å; V23-F126 HydrophobicContact CG2-CB 4.1Å; L28-F126 HydrophobicContact CD1-CD2 3.68Å; L28-F126 HydrophobicContact CD1-CE2 3.61Å; L28-F126 HydrophobicContact CD2-CB 4.49Å; L28-F126 HydrophobicContact CD2-CD2 4.01Å; L28-F126 HydrophobicContact CD2-CG 4.5Å; L28-F126 HydrophobicContact CG-CD2 4.46Å; F44-F126 HydrophobicContact CD1-CD2 4.37Å; F44-F126 HydrophobicContact CE1-CD2 4.33Å; V47-F126 HydrophobicContact CG1-CE2 4.46Å; L49-F126 HydrophobicContact CD2-CE1 3.85Å; L49-F126 HydrophobicContact CD2-CZ 4.08Å; A121-F126 HydrophobicContact CB-CD2 4.28Å; A121-F126 HydrophobicContact CB-CE2 3.56Å; A121-F126 HydrophobicContact CB-CZ 4.4Å; F126-T173 HydrophobicContact CD1-CG2 3.91Å; F126-T173 HydrophobicContact CE1-CG2 3.9Å
127H91.3Very high93Very high40 Ų4058.2 Ų58.219%0.18533%0.325CS..EExtended strand (participates in β ladder)trans-118.5124.6178.4-51-82.5000109.6L171 S172 D175 V178H127-L171 WeakPolarHBondContact O-CA 3.26Å; H127-S172 PolarHBondContact N-O 3.24Å; H127-S172 PolarHBondContact O-N 3.17Å; H127-D175 PolarHBondContact CD2-N 3.25Å; H127-D175 PolarHBondContact NE2-N 2.89Å; H127-V178 HydrophobicContact CB-CG2 3.91Å
128K92Very high93.1Very high73 Ų7358 Ų5832%0.31732%0.315SS..EExtended strand (participates in β ladder)trans-99134.8167.6176.2-174.4-177.3-178.10109.3D22 V23 T130 I169 V170 L171D22-K128 VanDerWaalsContact CG-NZ 3.27Å; D22-K128 WeakPolarHBondContact OD1-CD 3.4Å; D22-K128 WeakPolarHBondContact OD1-CE 3.23Å; D22-K128 IonicContact OD1-NZ 3.46Å; D22-K128 PolarHBondContact OD1-NZ 3.23Å; D22-K128 IonicContact OD2-NZ 3.36Å; D22-K128 PolarHBondContact OD2-NZ 2.77Å; D22-K128 VanDerWaalsContact OD2-NZ 3.1Å; V23-K128 HydrophobicContact CB-CB 4.02Å; V23-K128 HydrophobicContact CG2-CB 4.34Å; K128-T130 HydrophobicContact CG-CG2 4.47Å; K128-I169 HydrophobicContact CG-CG2 4.45Å; K128-V170 WeakPolarHBondContact CA-O 3.33Å; K128-L171 HydrophobicContact CB-CD2 3.99Å; K128-L171 HydrophobicContact CG-CD2 4.16Å
129I93.3Very high93.1Very high19 Ų1962.8 Ų62.810%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-123.7130.3164-46.589.1000106.8I131 V170 T177 V178 A181I129-I131 HydrophobicContact CG2-CG1 4.25Å; I129-V170 HydrophobicContact CB-CB 4.14Å; I129-V170 HydrophobicContact CB-CG2 4.49Å; I129-V170 HydrophobicContact CD1-CB 3.96Å; I129-V170 HydrophobicContact CD1-CG1 3.92Å; I129-V170 PolarHBondContact N-O 3.26Å; I129-V170 PolarHBondContact O-N 2.67Å; I129-T177 HydrophobicContact CD1-CG2 4.19Å; I129-V178 HydrophobicContact CD1-CG2 4.06Å; I129-V178 HydrophobicContact CG1-CB 4.23Å; I129-V178 HydrophobicContact CG1-CG1 4.11Å; I129-V178 HydrophobicContact CG1-CG2 4.09Å; I129-A181 HydrophobicContact CG1-CB 4.39Å; I129-A181 HydrophobicContact CG2-CB 4.4Å
130T94.6Very high93.2Very high54 Ų5460.3 Ų60.333%0.33132%0.319SS..EExtended strand (participates in β ladder)trans-100.1139163.868.50000109.4K128 E167 I169K128-T130 HydrophobicContact CG-CG2 4.47Å; T130-E167 WeakPolarHBondContact CB-OE1 3.25Å; T130-E167 PolarHBondContact OG1-OE1 3.4Å; T130-I169 HydrophobicContact CG2-CG1 4.36Å
131I95.8Very high93.4Very high11 Ų1156.4 Ų56.46%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-124115.8178.3-55.7169000106.6I129 V133 F150 E167 L168 V170 A181 F189I129-I131 HydrophobicContact CG2-CG1 4.25Å; I131-V133 PolarHBondContact O-N 2.96Å; I131-F150 HydrophobicContact CD1-CE1 3.91Å; I131-F150 HydrophobicContact CD1-CZ 3.89Å; I131-E167 CarbonylContact O-C 3.6Å; I131-E167 WeakPolarHBondContact O-CA 3.43Å; I131-L168 HydrophobicContact CB-CB 4.33Å; I131-L168 PolarHBondContact N-O 3.46Å; I131-L168 PolarHBondContact O-N 3.36Å; I131-V170 HydrophobicContact CD1-CG2 3.8Å; I131-V170 HydrophobicContact CG1-CG2 4.45Å; I131-A181 HydrophobicContact CD1-CB 4.35Å; I131-F189 HydrophobicContact CG2-CE2 3.62Å; I131-F189 HydrophobicContact CG2-CZ 3.83Å
132P96.4Very high93.4Very high97 Ų9758.8 Ų58.863%0.6331%0.314SS*.EExtended strand (participates in β ladder)trans-64.1129.9-179.826.3-33.9000110.3
133V97Very high93.4Very high7 Ų760.3 Ų60.34%0.04232%0.318CS..PPolyproline II helixtrans-89.2123.5-179.8-1790000109.5I131 L137 R138 C141 Y161 H166 L168 F189I131-V133 PolarHBondContact O-N 2.96Å; V133-L137 HydrophobicContact CG1-CB 4.17Å; V133-R138 HydrophobicContact CG1-CG 4.13Å; V133-C141 HydrophobicContact CG1-CB 3.86Å; V133-C141 HydrophobicContact CG2-CB 4.46Å; V133-Y161 HydrophobicContact CB-CE2 4.07Å; V133-Y161 HydrophobicContact CG1-CE2 4.43Å; V133-Y161 HydrophobicContact CG2-CD2 3.84Å; V133-Y161 HydrophobicContact CG2-CE2 3.85Å; V133-H166 WeakPolarHBondContact CB-O 3.45Å; V133-H166 PolarHBondContact N-O 2.77Å; V133-L168 HydrophobicContact CG2-CB 3.88Å; V133-F189 HydrophobicContact CG1-CE1 4.26Å; V133-F189 HydrophobicContact CG2-CE1 4.26Å; V133-F189 HydrophobicContact CG2-CZ 4.14Å
134P96.1Very high93.5Very high35 Ų3557.6 Ų57.623%0.22731%0.312CS..PPolyproline II helixtrans-54.9141.6173.2-26.235.5000112.2D136 L137 R138 F189P134-D136 VanDerWaalsContact C-N 3.27Å; P134-D136 WeakPolarHBondContact CB-OD1 3.27Å; P134-D136 PolarHBondContact O-N 2.84Å; P134-L137 HydrophobicContact CB-CD1 4.45Å; P134-L137 HydrophobicContact CB-CG 4.49Å; P134-L137 HydrophobicContact CG-CD1 4.31Å; P134-L137 PolarHBondContact O-N 3.26Å; P134-R138 PolarHBondContact O-N 3.11Å; P134-F189 HydrophobicContact CG-CD2 4.2Å; P134-F189 HydrophobicContact CG-CG 4.28Å
135E94.8Very high93.6Very high144 Ų14455 Ų5567%0.67331%0.308SS*.G310 helixtrans-56.6-40-173.8-177.3154.1-120.500113.2L137 R138E135-L137 PolarHBondContact O-N 3.02Å; E135-L137 VanDerWaalsContact O-N 3.1Å; E135-R138 PolarHBondContact O-N 2.95Å; E135-R138 IonicContact OE1-CZ 3.88Å; E135-R138 IonicContact OE1-NH1 3.91Å; E135-R138 PolarHBondContact OE1-NH1 3.23Å; E135-R138 IonicContact OE1-NH2 2.73Å
136D94.4Very high93.8Very high91 Ų9155.3 Ų55.349%0.48731%0.308SS..G310 helixtrans-66.3-6.7176.664.3-60000114.8P134 R193P134-D136 VanDerWaalsContact C-N 3.27Å; P134-D136 WeakPolarHBondContact CB-OD1 3.27Å; P134-D136 PolarHBondContact O-N 2.84Å; D136-R193 VanDerWaalsContact CG-NH2 3.28Å; D136-R193 IonicContact OD1-CZ 2.72Å; D136-R193 IonicContact OD1-NE 3.88Å; D136-R193 IonicContact OD1-NH2 2.64Å; D136-R193 PolarHBondContact OD1-NH2 3.46Å; D136-R193 IonicContact OD2-CZ 2.68Å; D136-R193 VanDerWaalsContact OD2-CZ 3.26Å; D136-R193 IonicContact OD2-NE 2.81Å; D136-R193 PolarHBondContact OD2-NE 2.89Å; D136-R193 IonicContact OD2-NH2 3.07Å; D136-R193 PolarHBondContact OD2-NH2 3.45Å
137L95.6Very high93.9Very high0 Ų055 Ų550%031%0.307CS..G310 helixtrans-118.8-6.3-178.6-63.7-176.6000114.1V133 P134 E135 D139 I140 C141 F189 I192 R193 L196V133-L137 HydrophobicContact CG1-CB 4.17Å; P134-L137 HydrophobicContact CB-CD1 4.45Å; P134-L137 HydrophobicContact CB-CG 4.49Å; P134-L137 HydrophobicContact CG-CD1 4.31Å; P134-L137 PolarHBondContact O-N 3.26Å; E135-L137 PolarHBondContact O-N 3.02Å; E135-L137 VanDerWaalsContact O-N 3.1Å; L137-D139 PolarHBondContact O-N 3.32Å; L137-I140 PolarHBondContact O-N 2.81Å; L137-C141 WeakPolarHBondContact O-CB 3.45Å; L137-C141 PolarHBondContact O-N 3.35Å; L137-C141 PolarHBondContact O-SG 3.1Å; L137-C141 VanDerWaalsContact O-SG 3.36Å; L137-F189 HydrophobicContact CD1-CB 3.66Å; L137-F189 HydrophobicContact CD1-CD1 3.7Å; L137-F189 HydrophobicContact CD1-CG 4Å; L137-I192 HydrophobicContact CD2-CB 4.36Å; L137-I192 HydrophobicContact CD2-CG2 3.73Å; L137-R193 HydrophobicContact CD1-CG 4.21Å; L137-R193 HydrophobicContact CD2-CG 3.84Å; L137-R193 HydrophobicContact CG-CG 4.37Å; L137-L196 HydrophobicContact CD2-CD1 3.73Å
138R94.9Very high94.1Very high60 Ų6060.1 Ų60.123%0.22633%0.329CS..Hα-helixtrans-55.8-50.9-171.4-74.2177.6-176.11543.7113.5V133 P134 E135 I140 C141 A142V133-R138 HydrophobicContact CG1-CG 4.13Å; P134-R138 PolarHBondContact O-N 3.11Å; E135-R138 PolarHBondContact O-N 2.95Å; E135-R138 IonicContact OE1-CZ 3.88Å; E135-R138 IonicContact OE1-NH1 3.91Å; E135-R138 PolarHBondContact OE1-NH1 3.23Å; E135-R138 IonicContact OE1-NH2 2.73Å; R138-I140 VanDerWaalsContact C-N 3.26Å; R138-I140 PolarHBondContact O-N 3.12Å; R138-C141 PolarHBondContact O-N 3.38Å; R138-A142 PolarHBondContact O-N 2.99Å; R138-A142 VanDerWaalsContact O-N 3.16Å
139D93.4Very high94.2Very high146 Ų14662.4 Ų62.478%0.78134%0.344SS*.Hα-helixtrans-64.1-33.6-176.9-57.2-27000112.2L137L137-D139 PolarHBondContact O-N 3.32Å
140I93.3Very high94.4Very high45 Ų4562.1 Ų62.123%0.23134%0.342CS..Hα-helixtrans-78.1-38.4178.9-60.7108.7000110.7L137 R138 A142 N143 I146 I192 L196L137-I140 PolarHBondContact O-N 2.81Å; R138-I140 VanDerWaalsContact C-N 3.26Å; R138-I140 PolarHBondContact O-N 3.12Å; I140-A142 PolarHBondContact O-N 3.02Å; I140-N143 PolarHBondContact O-N 3.33Å; I140-I146 HydrophobicContact CG2-CD1 3.47Å; I140-I146 VanDerWaalsContact CG2-CD1 3.47Å; I140-I192 HydrophobicContact CG2-CG2 3.82Å; I140-L196 HydrophobicContact CD1-CD1 3.81Å; I140-L196 HydrophobicContact CD1-CD2 4.19Å; I140-L196 HydrophobicContact CG1-CD1 4.23Å; I140-L196 HydrophobicContact CG1-CD2 3.9Å; I140-L196 HydrophobicContact CG2-CD2 4.27Å
141C94.6Very high94.4Very high0 Ų064.6 Ų64.60%035%0.346CS..Hα-helixtrans-69.4-13.1175.5-70.80000113.9V133 L137 R138 N143 H147 Y161V133-C141 HydrophobicContact CG1-CB 3.86Å; V133-C141 HydrophobicContact CG2-CB 4.46Å; L137-C141 WeakPolarHBondContact O-CB 3.45Å; L137-C141 PolarHBondContact O-N 3.35Å; L137-C141 PolarHBondContact O-SG 3.1Å; L137-C141 VanDerWaalsContact O-SG 3.36Å; R138-C141 PolarHBondContact O-N 3.38Å; C141-N143 PolarHBondContact O-N 2.97Å; C141-H147 WeakPolarHBondContact CA-NE2 3.49Å; C141-H147 PolarHBondContact O-NE2 2.88Å; C141-H147 VanDerWaalsContact O-NE2 3.12Å; C141-Y161 HydrophobicContact CB-CD2 4.41Å; C141-Y161 WeakPolarHBondContact O-CB 3.47Å
142A93.3Very high94.3Very high62 Ų6272.3 Ų72.351%0.51238%0.379SS..THydrogen-bonded Turntrans-66.8-8168.700000113.9R138 I140 Y161R138-A142 PolarHBondContact O-N 2.99Å; R138-A142 VanDerWaalsContact O-N 3.16Å; I140-A142 PolarHBondContact O-N 3.02Å; A142-Y161 HydrophobicContact CB-CD1 3.88Å; A142-Y161 HydrophobicContact CB-CE1 4.24Å
143N92.8Very high94.3Very high87 Ų8770 Ų7047%0.46537%0.368SS..  trans-101.299.9174.7-175.7-11.8000111.7I140 C141 A145 I146I140-N143 PolarHBondContact O-N 3.33Å; C141-N143 PolarHBondContact O-N 2.97Å; N143-A145 PolarHBondContact O-N 2.81Å; N143-A145 VanDerWaalsContact OD1-CB 3.27Å; N143-A145 WeakPolarHBondContact OD1-CB 3.46Å; N143-A145 PolarHBondContact OD1-N 3.06Å; N143-A145 VanDerWaalsContact OD1-N 3.13Å; N143-I146 HydrophobicContact CB-CD1 4.18Å; N143-I146 HydrophobicContact CB-CG1 4.28Å; N143-I146 WeakPolarHBondContact O-CB 3.15Å; N143-I146 PolarHBondContact O-N 2.89Å
144D88.3Confident94.2Very high66 Ų6669.7 Ų69.735%0.35337%0.366SS..G310 helixtrans-52.5-28-179.8-68.9-26.1000114.5I146 H147 F160D144-I146 PolarHBondContact O-N 3.09Å; D144-H147 PolarHBondContact O-N 2.97Å; D144-F160 WeakPolarHBondContact OD1-CA 3.38Å
145A91.5Very high94.1Very high72 Ų7269.5 Ų69.560%0.59537%0.371SS*.G310 helixtrans-61.7-27178.100000112.6N143 H147 K148N143-A145 PolarHBondContact O-N 2.81Å; N143-A145 VanDerWaalsContact OD1-CB 3.27Å; N143-A145 WeakPolarHBondContact OD1-CB 3.46Å; N143-A145 PolarHBondContact OD1-N 3.06Å; N143-A145 VanDerWaalsContact OD1-N 3.13Å; A145-H147 VanDerWaalsContact C-N 3.28Å; A145-H147 PolarHBondContact O-N 3.05Å; A145-K148 WeakPolarHBondContact O-CB 3.24Å
146I93.8Very high94Very high45 Ų4563.1 Ų63.123%0.23134%0.342CS..G310 helixtrans-72.7-23.8177.4-61-175.2000111.3I140 N143 D144 H188 I192I140-I146 HydrophobicContact CG2-CD1 3.47Å; I140-I146 VanDerWaalsContact CG2-CD1 3.47Å; N143-I146 HydrophobicContact CB-CD1 4.18Å; N143-I146 HydrophobicContact CB-CG1 4.28Å; N143-I146 WeakPolarHBondContact O-CB 3.15Å; N143-I146 PolarHBondContact O-N 2.89Å; D144-I146 PolarHBondContact O-N 3.09Å; I146-H188 PolarHBondContact O-CE1 3.37Å; I146-I192 HydrophobicContact CG2-CD1 3.88Å; I146-I192 HydrophobicContact CG2-CG1 3.84Å
147H95.2Very high93.9Very high0 Ų061.3 Ų61.30%033%0.333CS..G310 helixtrans-91.4-3.1-179.7-60-81.6000114C141 D144 A145 D149 F150 R151 I159 L168 H188C141-H147 WeakPolarHBondContact CA-NE2 3.49Å; C141-H147 PolarHBondContact O-NE2 2.88Å; C141-H147 VanDerWaalsContact O-NE2 3.12Å; D144-H147 PolarHBondContact O-N 2.97Å; A145-H147 VanDerWaalsContact C-N 3.28Å; A145-H147 PolarHBondContact O-N 3.05Å; H147-D149 PolarHBondContact O-N 3.26Å; H147-F150 PolarHBondContact O-N 3.47Å; H147-R151 WeakPolarHBondContact O-CB 3.31Å; H147-R151 PolarHBondContact O-N 3.46Å; H147-I159 HydrophobicContact CB-CD1 4.34Å; H147-I159 HydrophobicContact CB-CG2 3.59Å; H147-L168 VanDerWaalsContact CE1-CD1 3.44Å; H147-L168 WeakPolarHBondContact CE1-CD1 3.43Å; H147-L168 WeakPolarHBondContact ND1-CD1 3.42Å; H147-L168 VanDerWaalsContact ND1-CD2 3.31Å; H147-L168 WeakPolarHBondContact ND1-CD2 3.47Å; H147-H188 AromaticContact CE1-NE2 3.56Å; H147-H188 AromaticContact CG-NE2 3.94Å; H147-H188 AromaticContact ND1-CD2 3.82Å; H147-H188 AromaticContact ND1-NE2 3.01Å; H147-H188 PolarHBondContact ND1-NE2 2.76Å
148K94.6Very high93.7Very high149 Ų14961.7 Ų61.765%0.64834%0.335SS*.Hα-helixtrans-53.4-50.5-174.7-177.6-179.5177.7-177.80113.9A145 K152A145-K148 WeakPolarHBondContact O-CB 3.24Å; K148-K152 PolarHBondContact O-N 3.43Å; K148-K152 VanDerWaalsContact O-N 3.15Å
149D94.6Very high93.6Very high120 Ų12059.2 Ų59.264%0.64233%0.326SS*.Hα-helixtrans-77.3-31.2-176.2-62.3-44000112.1H147 K152 A153H147-D149 PolarHBondContact O-N 3.26Å; D149-K152 PolarHBondContact O-N 2.77Å; D149-A153 WeakPolarHBondContact O-CB 3.49Å; D149-A153 PolarHBondContact O-N 3.04Å
150F96.6Very high93.6Very high13 Ų1353.9 Ų53.96%0.05730%0.296CS..Hα-helixtrans-63.5-48.5171.5177.9-118000111.3I131 H147 K152 A153 I154 I159 L168 L184 H188I131-F150 HydrophobicContact CD1-CE1 3.91Å; I131-F150 HydrophobicContact CD1-CZ 3.89Å; H147-F150 PolarHBondContact O-N 3.47Å; F150-K152 VanDerWaalsContact C-N 3.27Å; F150-K152 PolarHBondContact O-N 2.77Å; F150-A153 PolarHBondContact O-N 3.38Å; F150-A153 VanDerWaalsContact O-N 3.11Å; F150-I154 HydrophobicContact CD1-CD1 4.2Å; F150-I154 HydrophobicContact CD2-CG2 3.99Å; F150-I154 HydrophobicContact CE1-CD1 3.9Å; F150-I154 HydrophobicContact CE2-CG2 3.64Å; F150-I154 HydrophobicContact CZ-CD1 4.15Å; F150-I154 HydrophobicContact CZ-CG2 4Å; F150-I154 WeakPolarHBondContact O-CG1 3.3Å; F150-I154 PolarHBondContact O-N 3.37Å; F150-I159 HydrophobicContact CD1-CD1 3.55Å; F150-I159 HydrophobicContact CE1-CD1 3.73Å; F150-L168 HydrophobicContact CD1-CD2 4.31Å; F150-L168 HydrophobicContact CE1-CD2 4.06Å; F150-L184 HydrophobicContact CD2-CB 4.32Å; F150-L184 HydrophobicContact CE2-CB 3.77Å; F150-H188 AromaticContact CD1-CD2 3.78Å; F150-H188 HydrophobicContact CD2-CB 3.68Å; F150-H188 AromaticContact CD2-CG 3.85Å; F150-H188 HydrophobicContact CE2-CB 3.97Å; F150-H188 HydrophobicContact CG-CB 4.03Å; F150-H188 AromaticContact CG-CD2 3.81Å; F150-H188 AromaticContact CG-CG 3.65Å; F150-H188 AromaticContact CG-ND1 3.98Å
151R95.2Very high93.6Very high107 Ų10753.4 Ų53.440%0.40429%0.292SS..Hα-helixtrans-52.4-44.3172.1176177.8166.6-162-3.5111.9H147 G155 A156 N157 I159H147-R151 WeakPolarHBondContact O-CB 3.31Å; H147-R151 PolarHBondContact O-N 3.46Å; R151-G155 PolarHBondContact O-N 3.14Å; R151-A156 HydrophobicContact CG-CB 4.19Å; R151-A156 WeakPolarHBondContact CG-O 3.21Å; R151-A156 PolarHBondContact NE-O 3.16Å; R151-A156 PolarHBondContact O-N 2.92Å; R151-N157 VanDerWaalsContact CZ-O 3.28Å; R151-N157 PolarHBondContact NE-O 3.33Å; R151-N157 PolarHBondContact NH2-O 2.96Å; R151-I159 HydrophobicContact CB-CB 4.35Å; R151-I159 HydrophobicContact CB-CG2 3.88Å; R151-I159 HydrophobicContact CG-CG2 4.3Å
152K95Very high93.5Very high172 Ų17254.3 Ų54.375%0.74830%0.298SS*.Hα-helixtrans-64.7-44.6176.6-172.9-178.3177.6-1750112.2K148 D149 F150 G155K148-K152 PolarHBondContact O-N 3.43Å; K148-K152 VanDerWaalsContact O-N 3.15Å; D149-K152 PolarHBondContact O-N 2.77Å; F150-K152 VanDerWaalsContact C-N 3.27Å; F150-K152 PolarHBondContact O-N 2.77Å; K152-G155 PolarHBondContact O-N 3.34Å
153A95Very high93.4Very high49 Ų4954.6 Ų54.641%0.40530%0.301SS..Hα-helixtrans-66.3-42.3-179.100000113D149 F150 G155 L184D149-A153 WeakPolarHBondContact O-CB 3.49Å; D149-A153 PolarHBondContact O-N 3.04Å; F150-A153 PolarHBondContact O-N 3.38Å; F150-A153 VanDerWaalsContact O-N 3.11Å; A153-G155 VanDerWaalsContact C-N 3.27Å; A153-G155 PolarHBondContact O-N 3.22Å; A153-L184 HydrophobicContact CB-CD1 4.15Å
154I96.3Very high93.3Very high0 Ų059.4 Ų59.40%032%0.32CS..Hα-helixtrans-77.7-13.9177.172.4-172.8000112.7F150 A156 I159 V170 T177 R180 A181 L184F150-I154 HydrophobicContact CD1-CD1 4.2Å; F150-I154 HydrophobicContact CD2-CG2 3.99Å; F150-I154 HydrophobicContact CE1-CD1 3.9Å; F150-I154 HydrophobicContact CE2-CG2 3.64Å; F150-I154 HydrophobicContact CZ-CD1 4.15Å; F150-I154 HydrophobicContact CZ-CG2 4Å; F150-I154 WeakPolarHBondContact O-CG1 3.3Å; F150-I154 PolarHBondContact O-N 3.37Å; I154-A156 HydrophobicContact CD1-CB 3.82Å; I154-A156 HydrophobicContact CG1-CB 3.71Å; I154-I159 HydrophobicContact CD1-CD1 4.44Å; I154-V170 HydrophobicContact CD1-CG1 3.67Å; I154-V170 HydrophobicContact CD1-CG2 4.2Å; I154-T177 HydrophobicContact CB-CG2 4.19Å; I154-T177 HydrophobicContact CD1-CG2 4.33Å; I154-T177 HydrophobicContact CG1-CG2 4Å; I154-T177 WeakPolarHBondContact O-CA 3.34Å; I154-T177 WeakPolarHBondContact O-CB 3.41Å; I154-T177 WeakPolarHBondContact O-CG2 3.4Å; I154-T177 PolarHBondContact O-OG1 3.1Å; I154-R180 HydrophobicContact CB-CB 4.04Å; I154-R180 HydrophobicContact CG2-CB 4.15Å; I154-A181 HydrophobicContact CD1-CB 4.41Å; I154-L184 HydrophobicContact CG2-CB 4.4Å; I154-L184 HydrophobicContact CG2-CD1 4.15Å
155G93.4Very high93.4Very high32 Ų3259.8 Ų59.833%0.3333%0.325SS..THydrogen-bonded Turntrans73.730.3-179.500000113.9R151 K152 A153 T177R151-G155 PolarHBondContact O-N 3.14Å; K152-G155 PolarHBondContact O-N 3.34Å; A153-G155 VanDerWaalsContact C-N 3.27Å; A153-G155 PolarHBondContact O-N 3.22Å; G155-T177 PolarHBondContact O-OG1 3.35Å
156A93.4Very high93.6Very high9 Ų959.9 Ų59.97%0.07431%0.313CS..  trans-83136.1-176.700000112.8R151 I154 C158 V170 T177R151-A156 HydrophobicContact CG-CB 4.19Å; R151-A156 WeakPolarHBondContact CG-O 3.21Å; R151-A156 PolarHBondContact NE-O 3.16Å; R151-A156 PolarHBondContact O-N 2.92Å; I154-A156 HydrophobicContact CD1-CB 3.82Å; I154-A156 HydrophobicContact CG1-CB 3.71Å; A156-C158 VanDerWaalsContact C-N 3.33Å; A156-C158 PolarHBondContact O-N 3.26Å; A156-V170 HydrophobicContact CB-CG1 3.44Å; A156-V170 VanDerWaalsContact CB-CG1 3.44Å; A156-T177 HydrophobicContact CB-CG2 3.91Å
157N92.1Very high93.6Very high54 Ų5460 Ų6029%0.28931%0.313SS..SBendtrans-65.2-36175.6-57.664.9000111.7L4 R151 L171 S172 T173L4-N157 HydrophobicContact CD1-CB 3.89Å; L4-N157 HydrophobicContact CD2-CB 4.03Å; L4-N157 HydrophobicContact CG-CB 4.44Å; R151-N157 VanDerWaalsContact CZ-O 3.28Å; R151-N157 PolarHBondContact NE-O 3.33Å; R151-N157 PolarHBondContact NH2-O 2.96Å; N157-L171 PolarHBondContact N-O 3.5Å; N157-S172 VanDerWaalsContact OD1-CA 3.28Å; N157-S172 WeakPolarHBondContact OD1-CA 3.15Å; N157-S172 PolarHBondContact OD1-OG 2.82Å; N157-T173 PolarHBondContact ND2-OG1 3.13Å; N157-T173 PolarHBondContact OD1-N 2.65Å; N157-T173 PolarHBondContact OD1-OG1 3.12Å
158C91.4Very high93.6Very high7 Ų760 Ų605%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-143.2153.7175.2-163.30000112.1G3 A156 L171G3-C158 PolarHBondContact N-SG 3.4Å; G3-C158 VanDerWaalsContact N-SG 3.37Å; A156-C158 VanDerWaalsContact C-N 3.33Å; A156-C158 PolarHBondContact O-N 3.26Å; C158-L171 HydrophobicContact CB-CB 4.21Å; C158-L171 PolarHBondContact N-O 3.01Å; C158-L171 PolarHBondContact O-N 2.81Å
159I92.8Very high93.5Very high8 Ų853.7 Ų53.74%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-146.7140.4166.7-154.5170000109.1H147 F150 R151 I154 L168 I169 V170H147-I159 HydrophobicContact CB-CD1 4.34Å; H147-I159 HydrophobicContact CB-CG2 3.59Å; F150-I159 HydrophobicContact CD1-CD1 3.55Å; F150-I159 HydrophobicContact CE1-CD1 3.73Å; R151-I159 HydrophobicContact CB-CB 4.35Å; R151-I159 HydrophobicContact CB-CG2 3.88Å; R151-I159 HydrophobicContact CG-CG2 4.3Å; I154-I159 HydrophobicContact CD1-CD1 4.44Å; I159-L168 HydrophobicContact CD1-CD1 4.14Å; I159-L168 HydrophobicContact CD1-CD2 3.66Å; I159-L168 HydrophobicContact CD1-CG 3.79Å; I159-L168 HydrophobicContact CG1-CD1 3.91Å; I159-L168 HydrophobicContact CG1-CD2 4.3Å; I159-L168 HydrophobicContact CG1-CG 3.86Å; I159-I169 VanDerWaalsContact CA-O 3.31Å; I159-I169 WeakPolarHBondContact CA-O 3.34Å; I159-I169 WeakPolarHBondContact CG1-O 3.44Å; I159-V170 HydrophobicContact CD1-CG2 3.84Å; I159-V170 HydrophobicContact CG1-CG2 3.98Å
160F92.4Very high93.5Very high34 Ų3448 Ų4815%0.14926%0.255CS..EExtended strand (participates in β ladder)trans-158.1158.3175.660.9-86.3000111.3D144 I169 L171D144-F160 WeakPolarHBondContact OD1-CA 3.38Å; F160-I169 HydrophobicContact CD2-CB 4.43Å; F160-I169 HydrophobicContact CE1-CB 4.14Å; F160-I169 HydrophobicContact CE1-CG2 3.95Å; F160-I169 HydrophobicContact CE2-CB 4.02Å; F160-I169 HydrophobicContact CE2-CD1 3.87Å; F160-I169 HydrophobicContact CE2-CG1 4.34Å; F160-I169 HydrophobicContact CE2-CG2 4.4Å; F160-I169 HydrophobicContact CZ-CB 3.87Å; F160-I169 HydrophobicContact CZ-CD1 4.08Å; F160-I169 HydrophobicContact CZ-CG2 3.75Å; F160-I169 PolarHBondContact N-O 2.91Å; F160-I169 VanDerWaalsContact N-O 3.08Å; F160-I169 PolarHBondContact O-N 3.23Å; F160-L171 HydrophobicContact CE1-CD1 4.12Å; F160-L171 HydrophobicContact CE1-CG 4.49Å
161Y93.9Very high93.3Very high35 Ų3547.5 Ų47.514%0.13725%0.254CS..EExtended strand (participates in β ladder)trans-93.7129.5178.3172-112.9000113.1V133 C141 A142 A163 H166 E167V133-Y161 HydrophobicContact CB-CE2 4.07Å; V133-Y161 HydrophobicContact CG1-CE2 4.43Å; V133-Y161 HydrophobicContact CG2-CD2 3.84Å; V133-Y161 HydrophobicContact CG2-CE2 3.85Å; C141-Y161 HydrophobicContact CB-CD2 4.41Å; C141-Y161 WeakPolarHBondContact O-CB 3.47Å; A142-Y161 HydrophobicContact CB-CD1 3.88Å; A142-Y161 HydrophobicContact CB-CE1 4.24Å; Y161-A163 HydrophobicContact CD1-CB 4.44Å; Y161-A163 HydrophobicContact CE1-CB 3.96Å; Y161-H166 PolarHBondContact OH-ND1 3.34Å; Y161-H166 VanDerWaalsContact OH-ND1 3.13Å; Y161-E167 WeakPolarHBondContact CD2-O 3.33Å
162S91.8Very high93.2Very high20 Ų2042.5 Ų42.514%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-89.2100.3171.5173.40000110.2Q164 T165 H166 E167S162-Q164 PolarHBondContact O-N 2.88Å; S162-T165 VanDerWaalsContact CB-OG1 3.3Å; S162-T165 WeakPolarHBondContact CB-OG1 3.33Å; S162-T165 PolarHBondContact O-N 3.19Å; S162-T165 PolarHBondContact OG-N 3.12Å; S162-T165 VanDerWaalsContact OG-N 3.15Å; S162-T165 PolarHBondContact OG-OG1 2.79Å; S162-H166 VanDerWaalsContact O-CA 3.31Å; S162-H166 WeakPolarHBondContact O-CA 3.36Å; S162-H166 PolarHBondContact O-N 3.03Å; S162-E167 WeakPolarHBondContact CB-O 3.45Å; S162-E167 PolarHBondContact N-O 3.35Å; S162-E167 PolarHBondContact O-N 3.31Å
163A91Very high93Very high68 Ų6836.9 Ų36.956%0.56222%0.215SC*.THydrogen-bonded Turntrans-64.4-17.8173.300000113.6Y161 H166Y161-A163 HydrophobicContact CD1-CB 4.44Å; Y161-A163 HydrophobicContact CE1-CB 3.96Å; A163-H166 PolarHBondContact O-CE1 2.94Å; A163-H166 VanDerWaalsContact O-CE1 3.32Å; A163-H166 PolarHBondContact O-ND1 3.31Å
164Q90.1Very high92.8Very high188 Ų18837.8 Ų37.888%0.87921%0.213SC*.THydrogen-bonded Turntrans-84.3-33.8179.6-65.5-178.3-2.700113.4S162S162-Q164 PolarHBondContact O-N 2.88Å
165T91.8Very high92.5Very high74 Ų7441.3 Ų41.345%0.45423%0.232SC..THydrogen-bonded Turntrans-107.1-7.6179.263.10000113.5S162 E167S162-T165 VanDerWaalsContact CB-OG1 3.3Å; S162-T165 WeakPolarHBondContact CB-OG1 3.33Å; S162-T165 PolarHBondContact O-N 3.19Å; S162-T165 PolarHBondContact OG-N 3.12Å; S162-T165 VanDerWaalsContact OG-N 3.15Å; S162-T165 PolarHBondContact OG-OG1 2.79Å; T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 WeakPolarHBondContact CB-OE2 3.49Å; T165-E167 PolarHBondContact O-N 2.78Å; T165-E167 PolarHBondContact OG1-OE2 3.38Å
166H94.8Very high92.5Very high74 Ų7442.4 Ų42.434%0.34323%0.232SC..THydrogen-bonded Turntrans58.335-172-53.9-49.7000113.5V133 Y161 S162 A163V133-H166 WeakPolarHBondContact CB-O 3.45Å; V133-H166 PolarHBondContact N-O 2.77Å; Y161-H166 PolarHBondContact OH-ND1 3.34Å; Y161-H166 VanDerWaalsContact OH-ND1 3.13Å; S162-H166 VanDerWaalsContact O-CA 3.31Å; S162-H166 WeakPolarHBondContact O-CA 3.36Å; S162-H166 PolarHBondContact O-N 3.03Å; A163-H166 PolarHBondContact O-CE1 2.94Å; A163-H166 VanDerWaalsContact O-CE1 3.32Å; A163-H166 PolarHBondContact O-ND1 3.31Å
167E95.2Very high92.5Very high47 Ų4742 Ų4222%0.2223%0.229CC..EExtended strand (participates in β ladder)trans-117.1147.7179.8-63.217111700111.5T130 I131 Y161 S162 T165T130-E167 WeakPolarHBondContact CB-OE1 3.25Å; T130-E167 PolarHBondContact OG1-OE1 3.4Å; I131-E167 CarbonylContact O-C 3.6Å; I131-E167 WeakPolarHBondContact O-CA 3.43Å; Y161-E167 WeakPolarHBondContact CD2-O 3.33Å; S162-E167 WeakPolarHBondContact CB-O 3.45Å; S162-E167 PolarHBondContact N-O 3.35Å; S162-E167 PolarHBondContact O-N 3.31Å; T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 WeakPolarHBondContact CB-OE2 3.49Å; T165-E167 PolarHBondContact O-N 2.78Å; T165-E167 PolarHBondContact OG1-OE2 3.38Å
168L94.6Very high92.5Very high0 Ų041.7 Ų41.70%023%0.229CC..EExtended strand (participates in β ladder)trans-89114165.6-174.368.5000107.7I131 V133 H147 F150 I159I131-L168 HydrophobicContact CB-CB 4.33Å; I131-L168 PolarHBondContact N-O 3.46Å; I131-L168 PolarHBondContact O-N 3.36Å; V133-L168 HydrophobicContact CG2-CB 3.88Å; H147-L168 VanDerWaalsContact CE1-CD1 3.44Å; H147-L168 WeakPolarHBondContact CE1-CD1 3.43Å; H147-L168 WeakPolarHBondContact ND1-CD1 3.42Å; H147-L168 VanDerWaalsContact ND1-CD2 3.31Å; H147-L168 WeakPolarHBondContact ND1-CD2 3.47Å; F150-L168 HydrophobicContact CD1-CD2 4.31Å; F150-L168 HydrophobicContact CE1-CD2 4.06Å; I159-L168 HydrophobicContact CD1-CD1 4.14Å; I159-L168 HydrophobicContact CD1-CD2 3.66Å; I159-L168 HydrophobicContact CD1-CG 3.79Å; I159-L168 HydrophobicContact CG1-CD1 3.91Å; I159-L168 HydrophobicContact CG1-CD2 4.3Å; I159-L168 HydrophobicContact CG1-CG 3.86Å
169I92.9Very high92.6Very high16 Ų1647.9 Ų47.98%0.08226%0.255CS..EExtended strand (participates in β ladder)trans-92.3123-177.3-59.1-176000108.7K128 T130 I159 F160 L171K128-I169 HydrophobicContact CG-CG2 4.45Å; T130-I169 HydrophobicContact CG2-CG1 4.36Å; I159-I169 VanDerWaalsContact CA-O 3.31Å; I159-I169 WeakPolarHBondContact CA-O 3.34Å; I159-I169 WeakPolarHBondContact CG1-O 3.44Å; F160-I169 HydrophobicContact CD2-CB 4.43Å; F160-I169 HydrophobicContact CE1-CB 4.14Å; F160-I169 HydrophobicContact CE1-CG2 3.95Å; F160-I169 HydrophobicContact CE2-CB 4.02Å; F160-I169 HydrophobicContact CE2-CD1 3.87Å; F160-I169 HydrophobicContact CE2-CG1 4.34Å; F160-I169 HydrophobicContact CE2-CG2 4.4Å; F160-I169 HydrophobicContact CZ-CB 3.87Å; F160-I169 HydrophobicContact CZ-CD1 4.08Å; F160-I169 HydrophobicContact CZ-CG2 3.75Å; F160-I169 PolarHBondContact N-O 2.91Å; F160-I169 VanDerWaalsContact N-O 3.08Å; F160-I169 PolarHBondContact O-N 3.23Å; I169-L171 HydrophobicContact CG2-CD2 4.22Å; I169-L171 HydrophobicContact CG2-CG 4.38Å
170V93.9Very high92.8Very high0 Ų053.1 Ų53.10%027%0.274CS..EExtended strand (participates in β ladder)trans-108.7127.5176.8-172.90000108.7K128 I129 I131 I154 A156 I159 T177K128-V170 WeakPolarHBondContact CA-O 3.33Å; I129-V170 HydrophobicContact CB-CB 4.14Å; I129-V170 HydrophobicContact CB-CG2 4.49Å; I129-V170 HydrophobicContact CD1-CB 3.96Å; I129-V170 HydrophobicContact CD1-CG1 3.92Å; I129-V170 PolarHBondContact N-O 3.26Å; I129-V170 PolarHBondContact O-N 2.67Å; I131-V170 HydrophobicContact CD1-CG2 3.8Å; I131-V170 HydrophobicContact CG1-CG2 4.45Å; I154-V170 HydrophobicContact CD1-CG1 3.67Å; I154-V170 HydrophobicContact CD1-CG2 4.2Å; A156-V170 HydrophobicContact CB-CG1 3.44Å; A156-V170 VanDerWaalsContact CB-CG1 3.44Å; I159-V170 HydrophobicContact CD1-CG2 3.84Å; I159-V170 HydrophobicContact CG1-CG2 3.98Å; V170-T177 HydrophobicContact CG1-CG2 4Å
171L92.6Very high92.9Very high4 Ų451.5 Ų51.52%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-118.5130.3173.3-58.1178.3000110.2I20 V23 H127 K128 N157 C158 F160 I169I20-L171 HydrophobicContact CB-CD1 4.5Å; I20-L171 HydrophobicContact CG2-CD1 4.08Å; I20-L171 WeakPolarHBondContact O-CD1 3.44Å; V23-L171 HydrophobicContact CG2-CD2 4.03Å; H127-L171 WeakPolarHBondContact O-CA 3.26Å; K128-L171 HydrophobicContact CB-CD2 3.99Å; K128-L171 HydrophobicContact CG-CD2 4.16Å; N157-L171 PolarHBondContact N-O 3.5Å; C158-L171 HydrophobicContact CB-CB 4.21Å; C158-L171 PolarHBondContact N-O 3.01Å; C158-L171 PolarHBondContact O-N 2.81Å; F160-L171 HydrophobicContact CE1-CD1 4.12Å; F160-L171 HydrophobicContact CE1-CG 4.49Å; I169-L171 HydrophobicContact CG2-CD2 4.22Å; I169-L171 HydrophobicContact CG2-CG 4.38Å
172S92.9Very high92.8Very high1 Ų154.6 Ų54.61%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-144.6150.8-178.4-171.20000113.3H127 N157 N174 T177H127-S172 PolarHBondContact N-O 3.24Å; H127-S172 PolarHBondContact O-N 3.17Å; N157-S172 VanDerWaalsContact OD1-CA 3.28Å; N157-S172 WeakPolarHBondContact OD1-CA 3.15Å; N157-S172 PolarHBondContact OD1-OG 2.82Å; S172-N174 VanDerWaalsContact C-N 3.31Å; S172-N174 PolarHBondContact OG-N 3.34Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; S172-N174 PolarHBondContact OG-O 2.94Å; S172-T177 WeakPolarHBondContact OG-CB 3.49Å; S172-T177 PolarHBondContact OG-OG1 3.25Å
173T91.5Very high92.9Very high54 Ų5460 Ų6033%0.33132%0.317SS..SBendtrans-93.314.5167.760.10000112.5L4 L49 T125 F126 N157L4-T173 HydrophobicContact CD2-CG2 3.7Å; L49-T173 HydrophobicContact CD1-CG2 4.46Å; L49-T173 HydrophobicContact CD2-CG2 4.17Å; T125-T173 WeakPolarHBondContact O-CA 3.33Å; F126-T173 HydrophobicContact CD1-CG2 3.91Å; F126-T173 HydrophobicContact CE1-CG2 3.9Å; N157-T173 PolarHBondContact ND2-OG1 3.13Å; N157-T173 PolarHBondContact OD1-N 2.65Å; N157-T173 PolarHBondContact OD1-OG1 3.12Å
174N91.1Very high93.2Very high68 Ų6858.8 Ų58.836%0.36430%0.3SS..  trans-133.3114.6-172.8-178.3-14.3000111.5S172 T176 T177S172-N174 VanDerWaalsContact C-N 3.31Å; S172-N174 PolarHBondContact OG-N 3.34Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; S172-N174 PolarHBondContact OG-O 2.94Å; N174-T176 VanDerWaalsContact CG-OG1 3.29Å; N174-T176 PolarHBondContact ND2-OG1 3.15Å; N174-T176 PolarHBondContact O-N 3.44Å; N174-T176 VanDerWaalsContact O-N 3.13Å; N174-T176 WeakPolarHBondContact OD1-CB 3.27Å; N174-T176 PolarHBondContact OD1-N 3.17Å; N174-T176 PolarHBondContact OD1-OG1 2.65Å; N174-T177 WeakPolarHBondContact O-CB 3.5Å; N174-T177 PolarHBondContact O-N 3.3Å; N174-T177 PolarHBondContact O-OG1 2.76Å
175D89.5Confident93.5Very high74 Ų7450.5 Ų50.540%0.39626%0.263SS..THydrogen-bonded Turntrans-51.7-35.7177.4171.479000113H127 T177 V178 K179H127-D175 PolarHBondContact CD2-N 3.25Å; H127-D175 PolarHBondContact NE2-N 2.89Å; D175-T177 PolarHBondContact O-N 3.4Å; D175-T177 VanDerWaalsContact O-N 3.14Å; D175-V178 WeakPolarHBondContact O-CB 3.43Å; D175-V178 PolarHBondContact O-N 2.86Å; D175-K179 IonicContact OD1-NZ 3.23Å; D175-K179 IonicContact OD2-NZ 3.97Å; D175-K179 PolarHBondContact OD2-NZ 3.2Å
176T92.9Very high93.6Very high56 Ų5651.2 Ų51.234%0.34426%0.264SS..Hα-helixtrans-65-21.5-179.270.80000112.6N174 V178 K179 R180N174-T176 VanDerWaalsContact CG-OG1 3.29Å; N174-T176 PolarHBondContact ND2-OG1 3.15Å; N174-T176 PolarHBondContact O-N 3.44Å; N174-T176 VanDerWaalsContact O-N 3.13Å; N174-T176 WeakPolarHBondContact OD1-CB 3.27Å; N174-T176 PolarHBondContact OD1-N 3.17Å; N174-T176 PolarHBondContact OD1-OG1 2.65Å; T176-V178 VanDerWaalsContact C-N 3.29Å; T176-V178 PolarHBondContact O-N 2.91Å; T176-K179 PolarHBondContact O-N 3.3Å; T176-R180 VanDerWaalsContact O-CG 3.29Å; T176-R180 WeakPolarHBondContact O-CG 3.27Å; T176-R180 PolarHBondContact O-N 3.12Å; T176-R180 VanDerWaalsContact O-N 3.07Å
177T94.3Very high93.7Very high0 Ų053.5 Ų53.50%028%0.276CS..Hα-helixtrans-61.8-35.6171.6-61.20000112I129 I154 G155 A156 V170 S172 N174 D175 K179 R180 A181I129-T177 HydrophobicContact CD1-CG2 4.19Å; I154-T177 HydrophobicContact CB-CG2 4.19Å; I154-T177 HydrophobicContact CD1-CG2 4.33Å; I154-T177 HydrophobicContact CG1-CG2 4Å; I154-T177 WeakPolarHBondContact O-CA 3.34Å; I154-T177 WeakPolarHBondContact O-CB 3.41Å; I154-T177 WeakPolarHBondContact O-CG2 3.4Å; I154-T177 PolarHBondContact O-OG1 3.1Å; G155-T177 PolarHBondContact O-OG1 3.35Å; A156-T177 HydrophobicContact CB-CG2 3.91Å; V170-T177 HydrophobicContact CG1-CG2 4Å; S172-T177 WeakPolarHBondContact OG-CB 3.49Å; S172-T177 PolarHBondContact OG-OG1 3.25Å; N174-T177 WeakPolarHBondContact O-CB 3.5Å; N174-T177 PolarHBondContact O-N 3.3Å; N174-T177 PolarHBondContact O-OG1 2.76Å; D175-T177 PolarHBondContact O-N 3.4Å; D175-T177 VanDerWaalsContact O-N 3.14Å; T177-K179 PolarHBondContact O-N 3.36Å; T177-R180 PolarHBondContact O-N 3.01Å; T177-A181 VanDerWaalsContact O-CB 3.22Å; T177-A181 WeakPolarHBondContact O-CB 3.45Å; T177-A181 PolarHBondContact O-N 3.4Å
178V91.6Very high93.8Very high47 Ų4752.1 Ų52.129%0.28527%0.27SS..Hα-helixtrans-59.2-50.1179.6-175.80000110.2H127 I129 D175 T176 A181 T182H127-V178 HydrophobicContact CB-CG2 3.91Å; I129-V178 HydrophobicContact CD1-CG2 4.06Å; I129-V178 HydrophobicContact CG1-CB 4.23Å; I129-V178 HydrophobicContact CG1-CG1 4.11Å; I129-V178 HydrophobicContact CG1-CG2 4.09Å; D175-V178 WeakPolarHBondContact O-CB 3.43Å; D175-V178 PolarHBondContact O-N 2.86Å; T176-V178 VanDerWaalsContact C-N 3.29Å; T176-V178 PolarHBondContact O-N 2.91Å; V178-A181 PolarHBondContact O-N 2.83Å; V178-T182 PolarHBondContact O-N 2.8Å; V178-T182 PolarHBondContact O-OG1 2.81Å
179K93.3Very high93.9Very high137 Ų13752.7 Ų52.760%0.59627%0.272SS*.Hα-helixtrans-67.2-38.3-179.9-67.1153.9-172.91510111.9D175 T176 T177 L183D175-K179 IonicContact OD1-NZ 3.23Å; D175-K179 IonicContact OD2-NZ 3.97Å; D175-K179 PolarHBondContact OD2-NZ 3.2Å; T176-K179 PolarHBondContact O-N 3.3Å; T177-K179 PolarHBondContact O-N 3.36Å; K179-L183 WeakPolarHBondContact O-CB 3.17Å; K179-L183 PolarHBondContact O-N 3.15Å
180R95.9Very high94Very high118 Ų11859.2 Ų59.245%0.44530%0.296SS..Hα-helixtrans-69.9-38.4177.1-69.8175.3-175.3-162.35.7112.9I154 T176 T177 L183 L184I154-R180 HydrophobicContact CB-CB 4.04Å; I154-R180 HydrophobicContact CG2-CB 4.15Å; T176-R180 VanDerWaalsContact O-CG 3.29Å; T176-R180 WeakPolarHBondContact O-CG 3.27Å; T176-R180 PolarHBondContact O-N 3.12Å; T176-R180 VanDerWaalsContact O-N 3.07Å; T177-R180 PolarHBondContact O-N 3.01Å; R180-L183 PolarHBondContact O-N 3.35Å; R180-L184 WeakPolarHBondContact O-CB 3.19Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.27Å
181A95.3Very high94.1Very high0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-59.7-49.9177.100000110.9I129 I131 I154 T177 V178 L183 L184 S185I129-A181 HydrophobicContact CG1-CB 4.39Å; I129-A181 HydrophobicContact CG2-CB 4.4Å; I131-A181 HydrophobicContact CD1-CB 4.35Å; I154-A181 HydrophobicContact CD1-CB 4.41Å; T177-A181 VanDerWaalsContact O-CB 3.22Å; T177-A181 WeakPolarHBondContact O-CB 3.45Å; T177-A181 PolarHBondContact O-N 3.4Å; V178-A181 PolarHBondContact O-N 2.83Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 2.9Å; A181-L184 PolarHBondContact O-N 3Å; A181-S185 VanDerWaalsContact O-CB 3.3Å; A181-S185 WeakPolarHBondContact O-CB 3.38Å; A181-S185 PolarHBondContact O-N 2.75Å; A181-S185 PolarHBondContact O-OG 2.99Å
182T92.7Very high94.3Very high100 Ų10063 Ų6361%0.61332%0.322SS*.Hα-helixtrans-63.1-35.3176.6-49.80000113.1V178 S185V178-T182 PolarHBondContact O-N 2.8Å; V178-T182 PolarHBondContact O-OG1 2.81Å; T182-S185 PolarHBondContact O-OG 2.69Å
183L93.9Very high94.4Very high135 Ų13567 Ų6771%0.70734%0.337SS*.Hα-helixtrans-74.3-31.7179.9-176.363.1000113.2K179 R180 A181K179-L183 WeakPolarHBondContact O-CB 3.17Å; K179-L183 PolarHBondContact O-N 3.15Å; R180-L183 PolarHBondContact O-N 3.35Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 2.9Å
184L96.6Very high94.5Very high41 Ų4168.2 Ų68.222%0.21535%0.345CS..Hα-helixtrans-108.9-13-169.2-61.5178.5000114.3F150 A153 I154 R180 A181 D186 M187 H188F150-L184 HydrophobicContact CD2-CB 4.32Å; F150-L184 HydrophobicContact CE2-CB 3.77Å; A153-L184 HydrophobicContact CB-CD1 4.15Å; I154-L184 HydrophobicContact CG2-CB 4.4Å; I154-L184 HydrophobicContact CG2-CD1 4.15Å; R180-L184 WeakPolarHBondContact O-CB 3.19Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.27Å; A181-L184 PolarHBondContact O-N 3Å; L184-D186 VanDerWaalsContact C-N 3.35Å; L184-D186 PolarHBondContact O-N 3.42Å; L184-M187 HydrophobicContact CD2-CE 3.95Å; L184-M187 PolarHBondContact O-N 3.33Å; L184-M187 VanDerWaalsContact O-N 3.16Å; L184-H188 PolarHBondContact O-N 3.33Å
185S96Very high94.6Very high15 Ų1570.5 Ų70.511%0.10535%0.351CS..Hα-helixtrans-54.8-47179.6530000112.9A181 T182 M187 H188 F189A181-S185 VanDerWaalsContact O-CB 3.3Å; A181-S185 WeakPolarHBondContact O-CB 3.38Å; A181-S185 PolarHBondContact O-N 2.75Å; A181-S185 PolarHBondContact O-OG 2.99Å; T182-S185 PolarHBondContact O-OG 2.69Å; S185-M187 VanDerWaalsContact C-N 3.32Å; S185-M187 PolarHBondContact O-N 3.35Å; S185-H188 WeakPolarHBondContact O-CB 3.21Å; S185-H188 PolarHBondContact O-N 3.44Å; S185-F189 WeakPolarHBondContact O-CD2 3.49Å; S185-F189 PolarHBondContact O-N 3.25Å
186D95.1Very high94.6Very high89 Ų8969.9 Ų69.948%0.47635%0.347SS..Hα-helixtrans-60-41.4177.6-11358.1000112.2L184 R190L184-D186 VanDerWaalsContact C-N 3.35Å; L184-D186 PolarHBondContact O-N 3.42Å; D186-R190 WeakPolarHBondContact O-CB 3.32Å; D186-R190 VanDerWaalsContact O-CD 3.28Å; D186-R190 WeakPolarHBondContact O-CD 3.42Å; D186-R190 WeakPolarHBondContact O-CG 3.24Å; D186-R190 PolarHBondContact O-N 2.89Å; D186-R190 VanDerWaalsContact O-N 3.1Å; D186-R190 PolarHBondContact O-NE 3.13Å; D186-R190 IonicContact OD2-CZ 2.86Å; D186-R190 IonicContact OD2-NE 2.75Å; D186-R190 IonicContact OD2-NH2 3.26Å; D186-R190 PolarHBondContact OD2-NH2 3.28Å
187M96.3Very high94.5Very high121 Ų12171.9 Ų71.960%0.59636%0.355SS*.Hα-helixtrans-70.2-36.5177.4-168.5179.476.300111.4L184 S185 R190 S191L184-M187 HydrophobicContact CD2-CE 3.95Å; L184-M187 PolarHBondContact O-N 3.33Å; L184-M187 VanDerWaalsContact O-N 3.16Å; S185-M187 VanDerWaalsContact C-N 3.32Å; S185-M187 PolarHBondContact O-N 3.35Å; M187-R190 PolarHBondContact O-N 2.9Å; M187-S191 WeakPolarHBondContact O-CB 3.28Å; M187-S191 PolarHBondContact O-N 2.98Å
188H97Very high94.4Very high19 Ų1977 Ų779%0.08838%0.382CS..Hα-helixtrans-62.9-52.2175.8-175.449.4000111.8I146 H147 F150 L184 S185 R190 S191 I192I146-H188 PolarHBondContact O-CE1 3.37Å; H147-H188 AromaticContact CE1-NE2 3.56Å; H147-H188 AromaticContact CG-NE2 3.94Å; H147-H188 AromaticContact ND1-CD2 3.82Å; H147-H188 AromaticContact ND1-NE2 3.01Å; H147-H188 PolarHBondContact ND1-NE2 2.76Å; F150-H188 AromaticContact CD1-CD2 3.78Å; F150-H188 HydrophobicContact CD2-CB 3.68Å; F150-H188 AromaticContact CD2-CG 3.85Å; F150-H188 HydrophobicContact CE2-CB 3.97Å; F150-H188 HydrophobicContact CG-CB 4.03Å; F150-H188 AromaticContact CG-CD2 3.81Å; F150-H188 AromaticContact CG-CG 3.65Å; F150-H188 AromaticContact CG-ND1 3.98Å; L184-H188 PolarHBondContact O-N 3.33Å; S185-H188 WeakPolarHBondContact O-CB 3.21Å; S185-H188 PolarHBondContact O-N 3.44Å; H188-R190 VanDerWaalsContact C-N 3.33Å; H188-R190 PolarHBondContact O-N 2.85Å; H188-S191 WeakPolarHBondContact O-CB 3.48Å; H188-S191 PolarHBondContact O-N 2.92Å; H188-S191 VanDerWaalsContact O-N 3.1Å; H188-I192 WeakPolarHBondContact O-CG1 3.41Å; H188-I192 PolarHBondContact O-N 2.87Å
189F97.2Very high94.2Very high11 Ų1180.1 Ų80.15%0.04840%0.395CS..Hα-helixtrans-63.6-36.2177.4-65.5-46.9000112.8I131 V133 P134 L137 S185 I192 R193I131-F189 HydrophobicContact CG2-CE2 3.62Å; I131-F189 HydrophobicContact CG2-CZ 3.83Å; V133-F189 HydrophobicContact CG1-CE1 4.26Å; V133-F189 HydrophobicContact CG2-CE1 4.26Å; V133-F189 HydrophobicContact CG2-CZ 4.14Å; P134-F189 HydrophobicContact CG-CD2 4.2Å; P134-F189 HydrophobicContact CG-CG 4.28Å; L137-F189 HydrophobicContact CD1-CB 3.66Å; L137-F189 HydrophobicContact CD1-CD1 3.7Å; L137-F189 HydrophobicContact CD1-CG 4Å; S185-F189 WeakPolarHBondContact O-CD2 3.49Å; S185-F189 PolarHBondContact O-N 3.25Å; F189-I192 HydrophobicContact CD1-CD1 4.38Å; F189-I192 PolarHBondContact O-N 2.56Å; F189-R193 WeakPolarHBondContact O-CG 3.24Å; F189-R193 PolarHBondContact O-N 3.47Å; F189-R193 VanDerWaalsContact O-N 3.08Å
190R95.6Very high94Very high154 Ų15476.4 Ų76.458%0.58139%0.386SS*.Hα-helixtrans-63.9-41.2171.7-69.2166.3-158.7-157.26.9111.8D186 M187 H188 R193 T194D186-R190 WeakPolarHBondContact O-CB 3.32Å; D186-R190 VanDerWaalsContact O-CD 3.28Å; D186-R190 WeakPolarHBondContact O-CD 3.42Å; D186-R190 WeakPolarHBondContact O-CG 3.24Å; D186-R190 PolarHBondContact O-N 2.89Å; D186-R190 VanDerWaalsContact O-N 3.1Å; D186-R190 PolarHBondContact O-NE 3.13Å; D186-R190 IonicContact OD2-CZ 2.86Å; D186-R190 IonicContact OD2-NE 2.75Å; D186-R190 IonicContact OD2-NH2 3.26Å; D186-R190 PolarHBondContact OD2-NH2 3.28Å; M187-R190 PolarHBondContact O-N 2.9Å; H188-R190 VanDerWaalsContact C-N 3.33Å; H188-R190 PolarHBondContact O-N 2.85Å; R190-R193 PolarHBondContact O-N 2.84Å; R190-T194 PolarHBondContact O-N 2.82Å; R190-T194 PolarHBondContact O-OG1 2.7Å
191S95.8Very high93.7Very high75 Ų7578.2 Ų78.252%0.52439%0.393SS..Hα-helixtrans-61.2-44.2175.7-172.80000112M187 H188 T194 K195M187-S191 WeakPolarHBondContact O-CB 3.28Å; M187-S191 PolarHBondContact O-N 2.98Å; H188-S191 WeakPolarHBondContact O-CB 3.48Å; H188-S191 PolarHBondContact O-N 2.92Å; H188-S191 VanDerWaalsContact O-N 3.1Å; S191-T194 PolarHBondContact O-N 2.93Å; S191-K195 WeakPolarHBondContact O-CB 3.26Å; S191-K195 PolarHBondContact O-N 2.73Å
192I95.8Very high93.4Very high7 Ų783.4 Ų83.44%0.03642%0.42CS..Hα-helixtrans-59.5-49174.9-63169.9000110.5L137 I140 I146 H188 F189 T194 K195 L196L137-I192 HydrophobicContact CD2-CB 4.36Å; L137-I192 HydrophobicContact CD2-CG2 3.73Å; I140-I192 HydrophobicContact CG2-CG2 3.82Å; I146-I192 HydrophobicContact CG2-CD1 3.88Å; I146-I192 HydrophobicContact CG2-CG1 3.84Å; H188-I192 WeakPolarHBondContact O-CG1 3.41Å; H188-I192 PolarHBondContact O-N 2.87Å; F189-I192 HydrophobicContact CD1-CD1 4.38Å; F189-I192 PolarHBondContact O-N 2.56Å; I192-T194 PolarHBondContact O-N 2.8Å; I192-K195 WeakPolarHBondContact O-CB 3.07Å; I192-K195 PolarHBondContact O-N 2.9Å; I192-K195 VanDerWaalsContact O-N 3.13Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 HydrophobicContact CG2-CG 4.34Å; I192-L196 WeakPolarHBondContact O-CG 3.48Å; I192-L196 PolarHBondContact O-N 3.32Å
193R95.5Very high93.3Very high85 Ų8583.7 Ų83.732%0.32142%0.415SS..Hα-helixtrans-55.9-48.2177-72.4179.8177.7119.10.3112.6D136 L137 F189 R190 K195 L196 I197D136-R193 VanDerWaalsContact CG-NH2 3.28Å; D136-R193 IonicContact OD1-CZ 2.72Å; D136-R193 IonicContact OD1-NE 3.88Å; D136-R193 IonicContact OD1-NH2 2.64Å; D136-R193 PolarHBondContact OD1-NH2 3.46Å; D136-R193 IonicContact OD2-CZ 2.68Å; D136-R193 VanDerWaalsContact OD2-CZ 3.26Å; D136-R193 IonicContact OD2-NE 2.81Å; D136-R193 PolarHBondContact OD2-NE 2.89Å; D136-R193 IonicContact OD2-NH2 3.07Å; D136-R193 PolarHBondContact OD2-NH2 3.45Å; L137-R193 HydrophobicContact CD1-CG 4.21Å; L137-R193 HydrophobicContact CD2-CG 3.84Å; L137-R193 HydrophobicContact CG-CG 4.37Å; F189-R193 WeakPolarHBondContact O-CG 3.24Å; F189-R193 PolarHBondContact O-N 3.47Å; F189-R193 VanDerWaalsContact O-N 3.08Å; R190-R193 PolarHBondContact O-N 2.84Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 2.83Å; R193-L196 PolarHBondContact O-N 3.13Å; R193-I197 WeakPolarHBondContact O-CG1 3.34Å; R193-I197 PolarHBondContact O-N 3.49Å; R193-I197 VanDerWaalsContact O-N 3.08Å
194T93.9Very high93Very high81 Ų8182.1 Ų82.150%0.49740%0.404SS..Hα-helixtrans-60.1-42.1177-58.20000111.5R190 S191 I192 L196 I197 L198R190-T194 PolarHBondContact O-N 2.82Å; R190-T194 PolarHBondContact O-OG1 2.7Å; S191-T194 PolarHBondContact O-N 2.93Å; I192-T194 PolarHBondContact O-N 2.8Å; T194-L196 PolarHBondContact O-N 3.47Å; T194-I197 PolarHBondContact O-N 2.62Å; T194-L198 HydrophobicContact CG2-CD1 4.05Å; T194-L198 WeakPolarHBondContact O-CB 3.11Å; T194-L198 WeakPolarHBondContact O-CG 3.46Å; T194-L198 PolarHBondContact O-N 3.34Å
195K91.9Very high92.5Very high115 Ų11582.7 Ų82.750%0.542%0.415SS..Hα-helixtrans-61.9-41.4176.4-174179.8177.9-177.20112.2S191 I192 R193 L198 M199S191-K195 WeakPolarHBondContact O-CB 3.26Å; S191-K195 PolarHBondContact O-N 2.73Å; I192-K195 WeakPolarHBondContact O-CB 3.07Å; I192-K195 PolarHBondContact O-N 2.9Å; I192-K195 VanDerWaalsContact O-N 3.13Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 2.83Å; K195-L198 PolarHBondContact O-N 2.74Å; K195-M199 HydrophobicContact CD-SD 4.46Å; K195-M199 HydrophobicContact CG-CG 4.42Å; K195-M199 HydrophobicContact CG-SD 4.01Å; K195-M199 WeakPolarHBondContact O-CB 3.49Å; K195-M199 VanDerWaalsContact O-CG 3.3Å; K195-M199 WeakPolarHBondContact O-CG 3.42Å; K195-M199 PolarHBondContact O-N 2.78Å
196L89.8Confident92Very high61 Ų6184.8 Ų84.832%0.31943%0.427SS..Hα-helixtrans-63.4-47177.7-66.6167.1000111.9L137 I140 I192 R193 T194 L198 M199 S200L137-L196 HydrophobicContact CD2-CD1 3.73Å; I140-L196 HydrophobicContact CD1-CD1 3.81Å; I140-L196 HydrophobicContact CD1-CD2 4.19Å; I140-L196 HydrophobicContact CG1-CD1 4.23Å; I140-L196 HydrophobicContact CG1-CD2 3.9Å; I140-L196 HydrophobicContact CG2-CD2 4.27Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 HydrophobicContact CG2-CG 4.34Å; I192-L196 WeakPolarHBondContact O-CG 3.48Å; I192-L196 PolarHBondContact O-N 3.32Å; R193-L196 PolarHBondContact O-N 3.13Å; T194-L196 PolarHBondContact O-N 3.47Å; L196-L198 VanDerWaalsContact C-N 3.31Å; L196-L198 PolarHBondContact O-N 3.19Å; L196-M199 PolarHBondContact O-N 2.91Å; L196-S200 WeakPolarHBondContact O-CB 3.25Å; L196-S200 PolarHBondContact O-N 2.72Å
197I91.3Very high91.6Very high98 Ų9885.5 Ų85.550%0.50343%0.426SS..Hα-helixtrans-60.6-41.9177.4-65.4163.7000110.8R193 T194 R201R193-I197 WeakPolarHBondContact O-CG1 3.34Å; R193-I197 PolarHBondContact O-N 3.49Å; R193-I197 VanDerWaalsContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 2.62Å; I197-R201 WeakPolarHBondContact O-CB 3.49Å; I197-R201 WeakPolarHBondContact O-CG 3.25Å; I197-R201 PolarHBondContact O-N 3.23Å; I197-R201 VanDerWaalsContact O-N 3.09Å
198L91.9Very high90.9Very high107 Ų10786.5 Ų86.556%0.5643%0.429SS*.Hα-helixtrans-67.9-39.9176.4-71173.1000112.6T194 K195 L196 N202T194-L198 HydrophobicContact CG2-CD1 4.05Å; T194-L198 WeakPolarHBondContact O-CB 3.11Å; T194-L198 WeakPolarHBondContact O-CG 3.46Å; T194-L198 PolarHBondContact O-N 3.34Å; K195-L198 PolarHBondContact O-N 2.74Å; L196-L198 VanDerWaalsContact C-N 3.31Å; L196-L198 PolarHBondContact O-N 3.19Å; L198-N202 VanDerWaalsContact O-CB 3.24Å; L198-N202 WeakPolarHBondContact O-CB 3.35Å; L198-N202 PolarHBondContact O-N 2.95Å
199M87.6Confident90Very high114 Ų11489.9 Ų89.956%0.56245%0.447SS*.Hα-helixtrans-65.4-44.2177.2-75.1179.665.900111.8K195 L196 N202 E203K195-M199 HydrophobicContact CD-SD 4.46Å; K195-M199 HydrophobicContact CG-CG 4.42Å; K195-M199 HydrophobicContact CG-SD 4.01Å; K195-M199 WeakPolarHBondContact O-CB 3.49Å; K195-M199 VanDerWaalsContact O-CG 3.3Å; K195-M199 WeakPolarHBondContact O-CG 3.42Å; K195-M199 PolarHBondContact O-N 2.78Å; L196-M199 PolarHBondContact O-N 2.91Å; M199-N202 PolarHBondContact O-N 3.44Å; M199-E203 PolarHBondContact O-N 3.4Å
200S88.5Confident89.2Confident58 Ų5894.9 Ų94.941%0.40647%0.47SS..Hα-helixtrans-59.9-49.8175.2155.30000112.1L196 N202 E203 E204L196-S200 WeakPolarHBondContact O-CB 3.25Å; L196-S200 PolarHBondContact O-N 2.72Å; S200-N202 VanDerWaalsContact C-N 3.29Å; S200-N202 PolarHBondContact O-N 2.98Å; S200-E203 WeakPolarHBondContact O-CB 3.43Å; S200-E203 PolarHBondContact O-N 3.07Å; S200-E204 WeakPolarHBondContact O-CG 3.5Å; S200-E204 PolarHBondContact O-N 3.28Å
201R89.8Confident88.4Confident156 Ų15691.1 Ų91.159%0.58947%0.465SS*.Hα-helixtrans-61-36.1176-74.8178.9174.4-161.4-2.8113.1I197 A205I197-R201 WeakPolarHBondContact O-CB 3.49Å; I197-R201 WeakPolarHBondContact O-CG 3.25Å; I197-R201 PolarHBondContact O-N 3.23Å; I197-R201 VanDerWaalsContact O-N 3.09Å; R201-A205 WeakPolarHBondContact O-CB 3.21Å; R201-A205 PolarHBondContact O-N 3.28Å
202N88.9Confident87.3Confident109 Ų10991 Ų9158%0.58346%0.464SS*.Hα-helixtrans-72.1-35.9178.7-160.331.5000111.2L198 M199 S200 A205 T206L198-N202 VanDerWaalsContact O-CB 3.24Å; L198-N202 WeakPolarHBondContact O-CB 3.35Å; L198-N202 PolarHBondContact O-N 2.95Å; M199-N202 PolarHBondContact O-N 3.44Å; S200-N202 VanDerWaalsContact C-N 3.29Å; S200-N202 PolarHBondContact O-N 2.98Å; N202-A205 PolarHBondContact O-N 3.04Å; N202-T206 WeakPolarHBondContact O-CG2 3.38Å; N202-T206 PolarHBondContact O-N 3.36Å; N202-T206 PolarHBondContact O-OG1 3.17Å; N202-T206 VanDerWaalsContact O-OG1 3.11Å
203E90.3Very high86.4Confident106 Ų10696.6 Ų96.650%0.49549%0.488SS..Hα-helixtrans-62.5-46172.6-165.4-170.4141.500111.5M199 S200 T206 K207M199-E203 PolarHBondContact O-N 3.4Å; S200-E203 WeakPolarHBondContact O-CB 3.43Å; S200-E203 PolarHBondContact O-N 3.07Å; E203-T206 WeakPolarHBondContact CA-OG1 3.27Å; E203-T206 PolarHBondContact O-N 2.93Å; E203-T206 PolarHBondContact O-OG1 3.45Å; E203-K207 WeakPolarHBondContact O-CG 3.37Å; E203-K207 PolarHBondContact O-N 3.49Å; E203-K207 WeakPolarHBondContact OE1-CE 3.33Å; E203-K207 IonicContact OE1-NZ 3.47Å; E203-K207 PolarHBondContact OE1-NZ 2.7Å
204E88.3Confident85.1Confident102 Ų10298.5 Ų98.548%0.47750%0.501SS..Hα-helixtrans-57.8-48.7172.6-69.5168.917000111.5S200 T206 K207 H208S200-E204 WeakPolarHBondContact O-CG 3.5Å; S200-E204 PolarHBondContact O-N 3.28Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.24Å; E204-K207 PolarHBondContact O-N 2.93Å; E204-H208 PolarHBondContact O-CD2 3.49Å; E204-H208 PolarHBondContact O-N 3.4Å
205A85.6Confident83.8Confident54 Ų5497.4 Ų97.445%0.44649%0.491SS..Hα-helixtrans-60.5-38.3176.600000112.7R201 N202 H208 L209R201-A205 WeakPolarHBondContact O-CB 3.21Å; R201-A205 PolarHBondContact O-N 3.28Å; N202-A205 PolarHBondContact O-N 3.04Å; A205-H208 PolarHBondContact O-N 3.4Å; A205-L209 WeakPolarHBondContact O-CB 3.38Å; A205-L209 PolarHBondContact O-N 3.44Å
206T85.8Confident82.5Confident58 Ų5896.2 Ų96.236%0.35650%0.503SS..Hα-helixtrans-66.9-38.1174.747.10000112.9N202 E203 E204 L209 E210N202-T206 WeakPolarHBondContact O-CG2 3.38Å; N202-T206 PolarHBondContact O-N 3.36Å; N202-T206 PolarHBondContact O-OG1 3.17Å; N202-T206 VanDerWaalsContact O-OG1 3.11Å; E203-T206 WeakPolarHBondContact CA-OG1 3.27Å; E203-T206 PolarHBondContact O-N 2.93Å; E203-T206 PolarHBondContact O-OG1 3.45Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.24Å; T206-L209 WeakPolarHBondContact O-CB 3.45Å; T206-L209 PolarHBondContact O-N 2.99Å; T206-E210 WeakPolarHBondContact O-CG 3.39Å; T206-E210 PolarHBondContact O-N 2.7Å
207K86.9Confident81.4Confident105 Ų10597.3 Ų97.346%0.45752%0.521SS..Hα-helixtrans-63.6-45.8174.8-70.5165.6-175.4167.50111.3E203 E204 L209 E210 T211E203-K207 WeakPolarHBondContact O-CG 3.37Å; E203-K207 PolarHBondContact O-N 3.49Å; E203-K207 WeakPolarHBondContact OE1-CE 3.33Å; E203-K207 IonicContact OE1-NZ 3.47Å; E203-K207 PolarHBondContact OE1-NZ 2.7Å; E204-K207 PolarHBondContact O-N 2.93Å; K207-L209 VanDerWaalsContact C-N 3.31Å; K207-L209 PolarHBondContact O-N 2.74Å; K207-E210 PolarHBondContact O-N 2.87Å; K207-T211 PolarHBondContact O-N 3.1Å; K207-T211 PolarHBondContact O-OG1 2.86Å
208H81.6Confident80.6Confident142 Ų14293.6 Ų93.666%0.65751%0.505SS*.Hα-helixtrans-61-38.4174.1-71.4-60.4000112.5E204 A205 S212E204-H208 PolarHBondContact O-CD2 3.49Å; E204-H208 PolarHBondContact O-N 3.4Å; A205-H208 PolarHBondContact O-N 3.4Å; H208-S212 VanDerWaalsContact O-CB 3.23Å; H208-S212 WeakPolarHBondContact O-CB 3.4Å; H208-S212 PolarHBondContact O-N 2.8Å
209L77.6Confident80.3Confident90 Ų9094.8 Ų94.847%0.47150%0.503SS..Hα-helixtrans-63.9-39.5174.3-174.274.8000112A205 T206 K207 K213A205-L209 WeakPolarHBondContact O-CB 3.38Å; A205-L209 PolarHBondContact O-N 3.44Å; T206-L209 WeakPolarHBondContact O-CB 3.45Å; T206-L209 PolarHBondContact O-N 2.99Å; K207-L209 VanDerWaalsContact C-N 3.31Å; K207-L209 PolarHBondContact O-N 2.74Å; L209-K213 HydrophobicContact CG-CD 4.34Å; L209-K213 WeakPolarHBondContact O-CB 3.19Å; L209-K213 VanDerWaalsContact O-CG 3.24Å; L209-K213 WeakPolarHBondContact O-CG 3.3Å; L209-K213 PolarHBondContact O-N 3.46Å
210E81.1Confident80.3Confident115 Ų11595.4 Ų95.454%0.53750%0.504SS..Hα-helixtrans-68.5-46177.7-75.2176174.700112.1T206 K207 S212 K213 Q214T206-E210 WeakPolarHBondContact O-CG 3.39Å; T206-E210 PolarHBondContact O-N 2.7Å; K207-E210 PolarHBondContact O-N 2.87Å; E210-S212 VanDerWaalsContact C-N 3.33Å; E210-S212 PolarHBondContact O-N 3.15Å; E210-K213 PolarHBondContact O-N 3.42Å; E210-Q214 WeakPolarHBondContact O-CG 3.18Å; E210-Q214 PolarHBondContact O-N 3.36Å
211T78.3Confident80.4Confident75 Ų7595.4 Ų95.446%0.4650%0.498SS..Hα-helixtrans-61.3-41.4173.4-50.90000111.7K207 K213 Q214 L215K207-T211 PolarHBondContact O-N 3.1Å; K207-T211 PolarHBondContact O-OG1 2.86Å; T211-K213 PolarHBondContact O-N 3.21Å; T211-Q214 PolarHBondContact O-N 3.36Å; T211-L215 PolarHBondContact O-N 3.16Å; T211-L215 VanDerWaalsContact O-N 3.07Å
212S74.2Confident80.5Confident73 Ų7392.9 Ų92.951%0.5149%0.493SS..Hα-helixtrans-64.2-39176178.30000112.3H208 E210 L215 A216H208-S212 VanDerWaalsContact O-CB 3.23Å; H208-S212 WeakPolarHBondContact O-CB 3.4Å; H208-S212 PolarHBondContact O-N 2.8Å; E210-S212 VanDerWaalsContact C-N 3.33Å; E210-S212 PolarHBondContact O-N 3.15Å; S212-L215 PolarHBondContact O-N 3.25Å; S212-A216 VanDerWaalsContact O-CB 3.31Å; S212-A216 WeakPolarHBondContact O-CB 3.4Å; S212-A216 PolarHBondContact O-N 3.03Å
213K75.4Confident80.7Confident125 Ų12588 Ų8854%0.54347%0.467SS..Hα-helixtrans-65-38.9173.3-78168.3178.2173.40112.7L209 E210 T211 A216 A217L209-K213 HydrophobicContact CG-CD 4.34Å; L209-K213 WeakPolarHBondContact O-CB 3.19Å; L209-K213 VanDerWaalsContact O-CG 3.24Å; L209-K213 WeakPolarHBondContact O-CG 3.3Å; L209-K213 PolarHBondContact O-N 3.46Å; E210-K213 PolarHBondContact O-N 3.42Å; T211-K213 PolarHBondContact O-N 3.21Å; K213-A216 PolarHBondContact O-N 3.2Å; K213-A217 VanDerWaalsContact O-CB 3.27Å; K213-A217 WeakPolarHBondContact O-CB 3.31Å; K213-A217 PolarHBondContact O-N 3.39Å
214Q68.9Low80.8Confident125 Ų12591.8 Ų91.858%0.58448%0.477SS*.Hα-helixtrans-61.6-47.4175.7-73.5168.1-15.300110.9E210 T211 A216 A217 A218E210-Q214 WeakPolarHBondContact O-CG 3.18Å; E210-Q214 PolarHBondContact O-N 3.36Å; T211-Q214 PolarHBondContact O-N 3.36Å; Q214-A216 PolarHBondContact O-N 2.92Å; Q214-A217 PolarHBondContact O-N 3.09Å; Q214-A218 PolarHBondContact O-N 3.22Å
215L67.3Low81.1Confident57 Ų5787.1 Ų87.130%0.29846%0.455SS..Hα-helixtrans-64.1-39175.9-67.8170.4000112.7T211 S212 A217 A218 T251 A252T211-L215 PolarHBondContact O-N 3.16Å; T211-L215 VanDerWaalsContact O-N 3.07Å; S212-L215 PolarHBondContact O-N 3.25Å; L215-A217 VanDerWaalsContact C-N 3.29Å; L215-A217 PolarHBondContact O-N 3.33Å; L215-A218 PolarHBondContact O-N 3.34Å; L215-T251 HydrophobicContact CD2-CG2 3.96Å; L215-A252 HydrophobicContact CD2-CB 3.92Å
216A64.4Low81.3Confident90 Ų9091 Ų9174%0.74446%0.458SS*.Hα-helixtrans-73.9-16.4177.700000114.4S212 K213 Q214S212-A216 VanDerWaalsContact O-CB 3.31Å; S212-A216 WeakPolarHBondContact O-CB 3.4Å; S212-A216 PolarHBondContact O-N 3.03Å; K213-A216 PolarHBondContact O-N 3.2Å; Q214-A216 PolarHBondContact O-N 2.92Å
217A66.6Low81.5Confident84 Ų8495.9 Ų95.969%0.69448%0.477SS*.Hα-helixtrans-99.3-9.5174.600000113.3K213 Q214 L215K213-A217 VanDerWaalsContact O-CB 3.27Å; K213-A217 WeakPolarHBondContact O-CB 3.31Å; K213-A217 PolarHBondContact O-N 3.39Å; Q214-A217 PolarHBondContact O-N 3.09Å; L215-A217 VanDerWaalsContact C-N 3.29Å; L215-A217 PolarHBondContact O-N 3.33Å
218A73.7Confident81.7Confident21 Ų2195 Ų9517%0.17448%0.478CS..SBendtrans-69.8151.217800000111.8Q214 L215Q214-A218 PolarHBondContact O-N 3.22Å; L215-A218 PolarHBondContact O-N 3.34Å
219Y84.8Confident82.2Confident132 Ų13288.3 Ų88.352%0.51845%0.447SS..EExtended strand (participates in β ladder)trans-66.1136.4163.3-67-86.9000108.7Y265 G266 E267 P269Y219-Y265 CarbonylContact O-C 3.58Å; Y219-Y265 WeakPolarHBondContact O-CA 3.21Å; Y219-G266 PolarHBondContact N-O 3.1Å; Y219-G266 PolarHBondContact O-N 2.99Å; Y219-E267 WeakPolarHBondContact CD2-O 3.35Å; Y219-P269 HydrophobicContact CD1-CB 4.21Å; Y219-P269 HydrophobicContact CE1-CG 4.5Å; Y219-P269 HydrophobicContact CG-CB 4.39Å
220Q88.5Confident82.8Confident126 Ų12685 Ų8559%0.58943%0.429SS*.EExtended strand (participates in β ladder)trans-122137.4176.965.8177.33.400111I264 Y265Q220-I264 VanDerWaalsContact CA-O 3.27Å; Q220-I264 WeakPolarHBondContact CA-O 3.27Å; Q220-Y265 HydrophobicContact CB-CD1 3.81Å; Q220-Y265 HydrophobicContact CB-CE1 3.74Å
221E89.8Confident83.2Confident59 Ų5982.2 Ų82.228%0.27643%0.431SS..EExtended strand (participates in β ladder)trans-130.2137.9167.2-68.4-124.2-106.200110.2I264 V272 R276E221-I264 PolarHBondContact N-O 3.41Å; E221-I264 PolarHBondContact O-N 3.18Å; E221-V272 HydrophobicContact CB-CG1 3.54Å; E221-V272 HydrophobicContact CG-CB 4.49Å; E221-V272 HydrophobicContact CG-CG1 3.57Å; E221-R276 IonicContact OE1-CZ 2.66Å; E221-R276 IonicContact OE1-NH1 3.57Å; E221-R276 PolarHBondContact OE1-NH1 3.38Å; E221-R276 IonicContact OE1-NH2 3.53Å; E221-R276 IonicContact OE2-CZ 3.42Å; E221-R276 IonicContact OE2-NH1 3.47Å; E221-R276 PolarHBondContact OE2-NH1 3.27Å; E221-R276 IonicContact OE2-NH2 2.65Å; E221-R276 PolarHBondContact OE2-NH2 2.87Å
222E92.2Very high83.8Confident102 Ų10281.3 Ų81.348%0.47742%0.423SS..EExtended strand (participates in β ladder)trans-99.5144.9174-57.6-165.7130.900110.7T261 F262 R263 R276E222-T261 HydrophobicContact CB-CG2 4.16Å; E222-F262 CarbonylContact C-O 3.49Å; E222-F262 WeakPolarHBondContact CA-O 3.47Å; E222-R263 HydrophobicContact CG-CG 4.24Å; E222-R263 IonicContact OE1-CZ 2.77Å; E222-R263 IonicContact OE1-NE 3.53Å; E222-R263 PolarHBondContact OE1-NE 3.39Å; E222-R263 IonicContact OE1-NH2 2.67Å; E222-R263 PolarHBondContact OE1-NH2 3.36Å; E222-R276 PolarHBondContact O-NH2 2.94Å
223V93.4Very high84.6Confident7 Ų777.9 Ų77.94%0.04240%0.399CS..EExtended strand (participates in β ladder)trans-137.5115.4173.6175.80000109.2V225 T261 F262 R276 E280V223-V225 HydrophobicContact CG1-CG2 4.12Å; V223-T261 CarbonylContact O-C 3.15Å; V223-T261 WeakPolarHBondContact O-CA 3.43Å; V223-F262 PolarHBondContact N-O 3.33Å; V223-F262 PolarHBondContact O-N 3.49Å; V223-R276 HydrophobicContact CG2-CB 3.84Å; V223-R276 HydrophobicContact CG2-CG 3.7Å; V223-E280 HydrophobicContact CG1-CB 3.95Å; V223-E280 HydrophobicContact CG1-CG 3.98Å
224R92.8Very high85.3Confident185 Ų18574 Ų7470%0.69838%0.384SS*.EExtended strand (participates in β ladder)trans-91.8123.2173.1-167.4174.8-172.7-164.6-1.8110.7S259R224-S259 PolarHBondContact NE-O 2.87Å; R224-S259 PolarHBondContact NH2-O 3.18Å
225V93.8Very high86.3Confident5 Ų568.5 Ų68.53%0.0336%0.361CS..  trans-105.2153.3175.5179.40000108.8V223 L229 M230 A233 C260 F262 L279 F281V223-V225 HydrophobicContact CG1-CG2 4.12Å; V225-L229 HydrophobicContact CG1-CB 3.85Å; V225-M230 HydrophobicContact CB-CE 4.06Å; V225-A233 HydrophobicContact CG1-CB 4.04Å; V225-A233 HydrophobicContact CG2-CB 4.1Å; V225-C260 PolarHBondContact N-O 3.45Å; V225-C260 VanDerWaalsContact O-CB 3.24Å; V225-C260 WeakPolarHBondContact O-CB 3.24Å; V225-F262 HydrophobicContact CB-CE2 4.33Å; V225-F262 HydrophobicContact CG2-CD2 3.97Å; V225-F262 HydrophobicContact CG2-CE2 3.77Å; V225-L279 VanDerWaalsContact CG2-O 3.24Å; V225-L279 WeakPolarHBondContact CG2-O 3.5Å; V225-F281 HydrophobicContact CG1-CB 4.33Å
226R91.3Very high87.4Confident135 Ų13570.3 Ų70.351%0.50938%0.378SS..  trans-73.7145173.5-63169.648101.71.8110.7D228 L229 M230R226-D228 WeakPolarHBondContact CB-OD1 3.46Å; R226-D228 IonicContact CZ-OD1 2.74Å; R226-D228 IonicContact CZ-OD2 2.7Å; R226-D228 IonicContact NE-OD1 2.99Å; R226-D228 PolarHBondContact NE-OD1 3.14Å; R226-D228 IonicContact NE-OD2 2.74Å; R226-D228 VanDerWaalsContact NH2-CG 3.31Å; R226-D228 IonicContact NH2-OD1 3.26Å; R226-D228 PolarHBondContact NH2-OD1 3.02Å; R226-D228 VanDerWaalsContact NH2-OD1 3.12Å; R226-D228 IonicContact NH2-OD2 3.76Å; R226-D228 PolarHBondContact NH2-OD2 3.02Å; R226-D228 PolarHBondContact O-N 2.95Å; R226-L229 HydrophobicContact CB-CB 4.36Å; R226-L229 HydrophobicContact CB-CD1 4.25Å; R226-L229 HydrophobicContact CB-CG 4.14Å; R226-L229 HydrophobicContact CG-CD1 4.44Å; R226-L229 CarbonylContact O-C 3.59Å; R226-L229 WeakPolarHBondContact O-CA 3.45Å; R226-L229 PolarHBondContact O-N 3.38Å; R226-M230 PolarHBondContact O-N 2.93Å
227E89.5Confident88.4Confident161 Ų16174.9 Ų74.975%0.75238%0.384SS*.Hα-helixtrans-49.6-43.6175.6-67.6163.7-144.700112.7L229 M230E227-L229 PolarHBondContact O-N 3.19Å; E227-M230 PolarHBondContact O-N 2.69Å
228D90.3Very high89.6Confident87 Ų8771.4 Ų71.447%0.46536%0.356SS..Hα-helixtrans-73.4-5.7179.663.9-20.7000114.6R226R226-D228 WeakPolarHBondContact CB-OD1 3.46Å; R226-D228 IonicContact CZ-OD1 2.74Å; R226-D228 IonicContact CZ-OD2 2.7Å; R226-D228 IonicContact NE-OD1 2.99Å; R226-D228 PolarHBondContact NE-OD1 3.14Å; R226-D228 IonicContact NE-OD2 2.74Å; R226-D228 VanDerWaalsContact NH2-CG 3.31Å; R226-D228 IonicContact NH2-OD1 3.26Å; R226-D228 PolarHBondContact NH2-OD1 3.02Å; R226-D228 VanDerWaalsContact NH2-OD1 3.12Å; R226-D228 IonicContact NH2-OD2 3.76Å; R226-D228 PolarHBondContact NH2-OD2 3.02Å; R226-D228 PolarHBondContact O-N 2.95Å
229L91.7Very high90.5Very high1 Ų172.1 Ų72.11%0.00536%0.362CS..Hα-helixtrans-115.7-9.4175.6-55.6-177.4000113.1V225 R226 E227 G231 L232 A233 F281 E283 V338V225-L229 HydrophobicContact CG1-CB 3.85Å; R226-L229 HydrophobicContact CB-CB 4.36Å; R226-L229 HydrophobicContact CB-CD1 4.25Å; R226-L229 HydrophobicContact CB-CG 4.14Å; R226-L229 HydrophobicContact CG-CD1 4.44Å; R226-L229 CarbonylContact O-C 3.59Å; R226-L229 WeakPolarHBondContact O-CA 3.45Å; R226-L229 PolarHBondContact O-N 3.38Å; E227-L229 PolarHBondContact O-N 3.19Å; L229-G231 VanDerWaalsContact C-N 3.29Å; L229-G231 PolarHBondContact O-N 2.93Å; L229-L232 HydrophobicContact CD2-CD1 4.14Å; L229-L232 WeakPolarHBondContact O-CA 3.33Å; L229-L232 WeakPolarHBondContact O-CB 3.37Å; L229-L232 PolarHBondContact O-N 2.97Å; L229-A233 PolarHBondContact O-N 2.75Å; L229-A233 VanDerWaalsContact O-N 3.12Å; L229-F281 HydrophobicContact CB-CB 4.41Å; L229-E283 HydrophobicContact CD1-CB 4.24Å; L229-V338 HydrophobicContact CD2-CG1 3.45Å; L229-V338 VanDerWaalsContact CD2-CG1 3.45Å
230M90.3Very high90.8Very high20 Ų2067.8 Ų67.810%0.09935%0.348CS..Hα-helixtrans-57.4-40-175.9-178.953.27200112.6V225 R226 E227 L232 A233 I234 L255 C260 F262V225-M230 HydrophobicContact CB-CE 4.06Å; R226-M230 PolarHBondContact O-N 2.93Å; E227-M230 PolarHBondContact O-N 2.69Å; M230-L232 PolarHBondContact O-N 2.69Å; M230-A233 PolarHBondContact O-N 2.91Å; M230-A233 VanDerWaalsContact O-N 3.16Å; M230-I234 HydrophobicContact CG-CD1 3.9Å; M230-I234 HydrophobicContact CG-CG1 4.44Å; M230-I234 WeakPolarHBondContact O-CG1 3.23Å; M230-I234 PolarHBondContact O-N 3.25Å; M230-I234 HydrophobicContact SD-CD1 3.92Å; M230-I234 HydrophobicContact SD-CG1 3.96Å; M230-L255 HydrophobicContact CE-CD1 3.84Å; M230-L255 HydrophobicContact SD-CD1 4.02Å; M230-L255 HydrophobicContact SD-CD2 4.48Å; M230-C260 HydrophobicContact CE-CB 3.5Å; M230-F262 HydrophobicContact CE-CE2 3.82Å; M230-F262 HydrophobicContact CE-CZ 4.16Å; M230-F262 HydrophobicContact SD-CE2 3.68Å; M230-F262 HydrophobicContact SD-CZ 3.48Å; M230-F262 WeakPolarHBondContact SD-CZ 3.44Å
231G89.6Confident91Very high57 Ų5762.6 Ų62.659%0.58832%0.324SS*.Hα-helixtrans-63.7-21.7174.800000114.6L229 G235L229-G231 VanDerWaalsContact C-N 3.29Å; L229-G231 PolarHBondContact O-N 2.93Å; G231-G235 PolarHBondContact O-N 2.88Å; G231-G235 VanDerWaalsContact O-N 3.17Å
232L90.5Very high91.1Very high56 Ų5664.4 Ų64.429%0.29333%0.332SS..Hα-helixtrans-83.7-38.3172.3-59.3173.8000111.4L229 M230 G235 N240 F281 V314 V338L229-L232 HydrophobicContact CD2-CD1 4.14Å; L229-L232 WeakPolarHBondContact O-CA 3.33Å; L229-L232 WeakPolarHBondContact O-CB 3.37Å; L229-L232 PolarHBondContact O-N 2.97Å; M230-L232 PolarHBondContact O-N 2.69Å; L232-G235 PolarHBondContact O-N 3.45Å; L232-N240 PolarHBondContact O-ND2 3.48Å; L232-F281 HydrophobicContact CB-CD1 3.71Å; L232-F281 HydrophobicContact CB-CE1 3.8Å; L232-F281 HydrophobicContact CB-CG 4.21Å; L232-F281 HydrophobicContact CB-CZ 4.36Å; L232-F281 HydrophobicContact CD1-CD1 4.41Å; L232-F281 WeakPolarHBondContact O-CE2 3.37Å; L232-V314 HydrophobicContact CD1-CG1 4.29Å; L232-V314 HydrophobicContact CD2-CG1 4.25Å; L232-V338 HydrophobicContact CD1-CG1 4.15Å
233A91.8Very high91.2Very high0 Ų064 Ų640%033%0.331CS..Hα-helixtrans-67-39.917600000112.9V225 L229 M230 N240 F262 L279 F281V225-A233 HydrophobicContact CG1-CB 4.04Å; V225-A233 HydrophobicContact CG2-CB 4.1Å; L229-A233 PolarHBondContact O-N 2.75Å; L229-A233 VanDerWaalsContact O-N 3.12Å; M230-A233 PolarHBondContact O-N 2.91Å; M230-A233 VanDerWaalsContact O-N 3.16Å; A233-N240 VanDerWaalsContact O-CB 3.27Å; A233-N240 WeakPolarHBondContact O-CB 3.31Å; A233-F262 HydrophobicContact CB-CE2 3.74Å; A233-F262 HydrophobicContact CB-CZ 3.91Å; A233-L279 VanDerWaalsContact O-CD2 3.27Å; A233-L279 WeakPolarHBondContact O-CD2 3.17Å; A233-F281 VanDerWaalsContact CA-CD2 3.48Å; A233-F281 HydrophobicContact CB-CB 4.38Å; A233-F281 HydrophobicContact CB-CD2 3.86Å; A233-F281 HydrophobicContact CB-CG 4.4Å
234I91.3Very high91.2Very high43 Ų4363.7 Ų63.722%0.22133%0.329CS..Hα-helixtrans-68.1-40.6170.1-64.4171.1000110.1M230 G238 A239 N240 I241 L255 F262M230-I234 HydrophobicContact CG-CD1 3.9Å; M230-I234 HydrophobicContact CG-CG1 4.44Å; M230-I234 WeakPolarHBondContact O-CG1 3.23Å; M230-I234 PolarHBondContact O-N 3.25Å; M230-I234 HydrophobicContact SD-CD1 3.92Å; M230-I234 HydrophobicContact SD-CG1 3.96Å; I234-G238 CarbonylContact O-C 3.5Å; I234-G238 VanDerWaalsContact O-CA 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.42Å; I234-A239 PolarHBondContact O-N 2.81Å; I234-N240 PolarHBondContact O-N 3.45Å; I234-N240 VanDerWaalsContact O-N 3.11Å; I234-I241 HydrophobicContact CG2-CG2 4.23Å; I234-I241 PolarHBondContact O-N 3.35Å; I234-L255 HydrophobicContact CD1-CD2 3.9Å; I234-L255 HydrophobicContact CG1-CD2 4.35Å; I234-F262 HydrophobicContact CG1-CZ 4.18Å
235G89.4Confident91.3Very high10 Ų1059.9 Ų59.910%0.10331%0.314CS..  trans78.7166.5-175.200000112.7G231 L232 H237 G238G231-G235 PolarHBondContact O-N 2.88Å; G231-G235 VanDerWaalsContact O-N 3.17Å; L232-G235 PolarHBondContact O-N 3.45Å; G235-H237 PolarHBondContact O-N 3.37Å; G235-G238 PolarHBondContact O-N 3.41Å
236S89.4Confident91.3Very high95 Ų9566.9 Ų66.966%0.66434%0.344SS*.G310 helixtrans-60.6124.6178.348.50000110.7G238 A239S236-G238 PolarHBondContact O-N 3.08Å; S236-G238 VanDerWaalsContact O-N 3.14Å; S236-A239 WeakPolarHBondContact O-CB 3.42Å; S236-A239 PolarHBondContact O-N 3.02Å; S236-A239 VanDerWaalsContact O-N 3.14Å
237H87.1Confident91.4Very high187 Ų18760.9 Ų60.987%0.86632%0.322SS*.G310 helixtrans54.124.9-173.5-4894.7000114.8G235G235-H237 PolarHBondContact O-N 3.37Å
238G90.2Very high91.6Very high11 Ų1158.5 Ų58.511%0.11332%0.321CS..G310 helixtrans80.915.9-178.900000115I234 G235 S236 N240 I241 Q242I234-G238 CarbonylContact O-C 3.5Å; I234-G238 VanDerWaalsContact O-CA 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.42Å; G235-G238 PolarHBondContact O-N 3.41Å; S236-G238 PolarHBondContact O-N 3.08Å; S236-G238 VanDerWaalsContact O-N 3.14Å; G238-N240 VanDerWaalsContact C-N 3.3Å; G238-N240 PolarHBondContact O-N 3.22Å; G238-I241 VanDerWaalsContact O-CG2 3.23Å; G238-I241 WeakPolarHBondContact O-CG2 3.24Å; G238-I241 PolarHBondContact O-N 2.65Å; G238-Q242 WeakPolarHBondContact O-CB 3.04Å; G238-Q242 VanDerWaalsContact O-CG 3.26Å; G238-Q242 WeakPolarHBondContact O-CG 3.47Å; G238-Q242 PolarHBondContact O-N 3.1Å
239A92.7Very high91.5Very high36 Ų3655.5 Ų55.530%0.29831%0.311SS..Hα-helixtrans-55-40.5-175.600000114.1I234 S236 Q243I234-A239 PolarHBondContact O-N 2.81Å; S236-A239 WeakPolarHBondContact O-CB 3.42Å; S236-A239 PolarHBondContact O-N 3.02Å; S236-A239 VanDerWaalsContact O-N 3.14Å; A239-Q243 WeakPolarHBondContact O-CG 3.41Å; A239-Q243 PolarHBondContact O-N 2.8Å
240N91.6Very high91.5Very high40 Ų4056.6 Ų56.621%0.21432%0.318CS..Hα-helixtrans-77.5-43.6-175-66.6-2.3000111.1L232 A233 I234 G238 Q242 Q243 A244L232-N240 PolarHBondContact O-ND2 3.48Å; A233-N240 VanDerWaalsContact O-CB 3.27Å; A233-N240 WeakPolarHBondContact O-CB 3.31Å; I234-N240 PolarHBondContact O-N 3.45Å; I234-N240 VanDerWaalsContact O-N 3.11Å; G238-N240 VanDerWaalsContact C-N 3.3Å; G238-N240 PolarHBondContact O-N 3.22Å; N240-Q242 VanDerWaalsContact C-N 3.28Å; N240-Q242 PolarHBondContact O-N 3.08Å; N240-Q243 WeakPolarHBondContact O-CB 3.4Å; N240-Q243 PolarHBondContact O-N 3.41Å; N240-Q243 VanDerWaalsContact O-N 3.1Å; N240-A244 PolarHBondContact O-N 2.94Å
241I92.4Very high91.5Very high17 Ų1758.7 Ų58.79%0.08733%0.331CS..Hα-helixtrans-64.8-31.2172.5-169.3178.3000112.1I234 G238 R245 I253 F262 L279I234-I241 HydrophobicContact CG2-CG2 4.23Å; I234-I241 PolarHBondContact O-N 3.35Å; G238-I241 VanDerWaalsContact O-CG2 3.23Å; G238-I241 WeakPolarHBondContact O-CG2 3.24Å; G238-I241 PolarHBondContact O-N 2.65Å; I241-R245 WeakPolarHBondContact O-CG 3.27Å; I241-R245 PolarHBondContact O-N 3.41Å; I241-I253 HydrophobicContact CD1-CG2 4.47Å; I241-F262 HydrophobicContact CD1-CD1 4.48Å; I241-F262 HydrophobicContact CD1-CE1 4.05Å; I241-L279 HydrophobicContact CB-CD2 4.2Å
242Q93Very high91.5Very high97 Ų9757 Ų5745%0.45331%0.312SS..Hα-helixtrans-70-31.2171.1-75.1-179.826.800113.3G238 N240 K246G238-Q242 WeakPolarHBondContact O-CB 3.04Å; G238-Q242 VanDerWaalsContact O-CG 3.26Å; G238-Q242 WeakPolarHBondContact O-CG 3.47Å; G238-Q242 PolarHBondContact O-N 3.1Å; N240-Q242 VanDerWaalsContact C-N 3.28Å; N240-Q242 PolarHBondContact O-N 3.08Å; Q242-K246 VanDerWaalsContact O-CD 3.31Å; Q242-K246 WeakPolarHBondContact O-CD 3.45Å; Q242-K246 WeakPolarHBondContact O-CG 3.34Å; Q242-K246 PolarHBondContact O-N 3.13Å
243Q93.2Very high91.6Very high95 Ų9554.6 Ų54.644%0.44430%0.299SS..Hα-helixtrans-70-44.8171.8-76175.4-3.200110.9A239 N240 R245 K246 V247 Y278A239-Q243 WeakPolarHBondContact O-CG 3.41Å; A239-Q243 PolarHBondContact O-N 2.8Å; N240-Q243 WeakPolarHBondContact O-CB 3.4Å; N240-Q243 PolarHBondContact O-N 3.41Å; N240-Q243 VanDerWaalsContact O-N 3.1Å; Q243-R245 VanDerWaalsContact C-N 3.31Å; Q243-R245 PolarHBondContact O-N 3.43Å; Q243-K246 WeakPolarHBondContact O-CA 3.43Å; Q243-K246 PolarHBondContact O-N 3.23Å; Q243-V247 PolarHBondContact O-N 3.4Å; Q243-Y278 HydrophobicContact CB-CD1 3.84Å; Q243-Y278 HydrophobicContact CB-CE1 3.89Å; Q243-Y278 HydrophobicContact CB-CG 4.42Å
244A93.8Very high91.6Very high0 Ų059.4 Ų59.40%032%0.322CS..Hα-helixtrans-56.5-42.4174.500000112.5N240 K246 V247 I253 A275 L279N240-A244 PolarHBondContact O-N 2.94Å; A244-K246 PolarHBondContact O-N 2.94Å; A244-V247 WeakPolarHBondContact O-CB 3.43Å; A244-V247 PolarHBondContact O-N 3.01Å; A244-I253 HydrophobicContact CB-CD1 3.51Å; A244-A275 HydrophobicContact CB-CB 4.23Å; A244-L279 HydrophobicContact CB-CD1 3.91Å; A244-L279 HydrophobicContact CB-CD2 4.38Å; A244-L279 HydrophobicContact CB-CG 3.97Å
245R93.9Very high91.5Very high105 Ų10559.1 Ų59.140%0.39632%0.321SS..THydrogen-bonded Turntrans-68.9-13.4173.9-70.2178.5-164.9-79.4-4.6114.9I241 Q243 I253I241-R245 WeakPolarHBondContact O-CG 3.27Å; I241-R245 PolarHBondContact O-N 3.41Å; Q243-R245 VanDerWaalsContact C-N 3.31Å; Q243-R245 PolarHBondContact O-N 3.43Å; R245-I253 HydrophobicContact CG-CB 4.34Å; R245-I253 HydrophobicContact CG-CD1 3.93Å; R245-I253 HydrophobicContact CG-CG1 4.08Å; R245-I253 PolarHBondContact NH1-O 3.2Å; R245-I253 PolarHBondContact NH2-O 3.17Å
246K94.8Very high91.6Very high151 Ų15162 Ų6266%0.65733%0.332SS*.THydrogen-bonded Turntrans-96.9-1.7178.3-74.6167.9-173.4170.60113Q242 Q243 A244 P248Q242-K246 VanDerWaalsContact O-CD 3.31Å; Q242-K246 WeakPolarHBondContact O-CD 3.45Å; Q242-K246 WeakPolarHBondContact O-CG 3.34Å; Q242-K246 PolarHBondContact O-N 3.13Å; Q243-K246 WeakPolarHBondContact O-CA 3.43Å; Q243-K246 PolarHBondContact O-N 3.23Å; A244-K246 PolarHBondContact O-N 2.94Å; K246-P248 WeakPolarHBondContact O-CD 3.37Å
247V94.1Very high91.4Very high9 Ų963.5 Ų63.56%0.05533%0.328CS..SBendtrans-65.1123.8172.4173.10000109Q243 A244 G249 V250 A271 Q274 A275 Y278Q243-V247 PolarHBondContact O-N 3.4Å; A244-V247 WeakPolarHBondContact O-CB 3.43Å; A244-V247 PolarHBondContact O-N 3.01Å; V247-G249 PolarHBondContact O-N 2.88Å; V247-V250 HydrophobicContact CB-CG2 3.77Å; V247-V250 HydrophobicContact CG1-CG2 4.02Å; V247-V250 PolarHBondContact O-N 2.85Å; V247-V250 VanDerWaalsContact O-N 3.13Å; V247-A271 HydrophobicContact CG1-CB 4.23Å; V247-A271 WeakPolarHBondContact CG1-O 3.49Å; V247-Q274 HydrophobicContact CG1-CB 4.07Å; V247-Q274 HydrophobicContact CG1-CG 4.18Å; V247-Q274 HydrophobicContact CG2-CG 4.25Å; V247-A275 HydrophobicContact CB-CB 4.34Å; V247-A275 HydrophobicContact CG2-CB 4.22Å; V247-Y278 HydrophobicContact CG2-CD2 4.18Å; V247-Y278 HydrophobicContact CG2-CE2 3.82Å
248P92.1Very high91.4Very high111 Ų11164.2 Ų64.272%0.72133%0.331SS*.THydrogen-bonded Turntrans-57.8129.9179.7-25.134.9000111.6K246 A271K246-P248 WeakPolarHBondContact O-CD 3.37Å; P248-A271 WeakPolarHBondContact O-CB 3.5Å
249G89.1Confident91.3Very high24 Ų2464.9 Ų64.925%0.24733%0.334CS..THydrogen-bonded Turntrans89.90.2-177.100000115.2V247 G266 E267V247-G249 PolarHBondContact O-N 2.88Å; G249-G266 CarbonylContact O-C 3.47Å; G249-G266 WeakPolarHBondContact O-CA 3.3Å; G249-E267 PolarHBondContact O-N 3.42Å
250V91.9Very high91.1Very high25 Ų2563.8 Ų63.815%0.15233%0.325CS..EExtended strand (participates in β ladder)trans-80124.3166175.70000109.9V247 I253 A271 A275V247-V250 HydrophobicContact CB-CG2 3.77Å; V247-V250 HydrophobicContact CG1-CG2 4.02Å; V247-V250 PolarHBondContact O-N 2.85Å; V247-V250 VanDerWaalsContact O-N 3.13Å; V250-I253 HydrophobicContact CG1-CD1 4.27Å; V250-I253 HydrophobicContact CG1-CG1 3.91Å; V250-A271 HydrophobicContact CG2-CB 4.41Å; V250-A275 HydrophobicContact CG2-CB 3.62Å
251T89.9Confident91.2Very high63 Ų6362.6 Ų62.639%0.38732%0.319SS..EExtended strand (participates in β ladder)trans-90.8-43.3179.4-45.60000111.3L215 Y265 G266L215-T251 HydrophobicContact CD2-CG2 3.96Å; T251-Y265 PolarHBondContact N-O 2.84Å; T251-G266 WeakPolarHBondContact OG1-CA 3.32Å
252A90.1Very high91.2Very high22 Ų2261.8 Ų61.818%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-154.4158.2179.700000112.1L215 Y265L215-A252 HydrophobicContact CD2-CB 3.92Å; A252-Y265 HydrophobicContact CB-CD2 4.18Å; A252-Y265 PolarHBondContact N-O 3.12Å; A252-Y265 VanDerWaalsContact N-O 3.13Å; A252-Y265 PolarHBondContact O-N 3.29Å
253I92.2Very high91.2Very high6 Ų660.2 Ų60.23%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-134.2128.1164.7-54.4-174.1000107.5I241 A244 R245 V250 F262 R263 I264 L279I241-I253 HydrophobicContact CD1-CG2 4.47Å; A244-I253 HydrophobicContact CB-CD1 3.51Å; R245-I253 HydrophobicContact CG-CB 4.34Å; R245-I253 HydrophobicContact CG-CD1 3.93Å; R245-I253 HydrophobicContact CG-CG1 4.08Å; R245-I253 PolarHBondContact NH1-O 3.2Å; R245-I253 PolarHBondContact NH2-O 3.17Å; V250-I253 HydrophobicContact CG1-CD1 4.27Å; V250-I253 HydrophobicContact CG1-CG1 3.91Å; I253-F262 HydrophobicContact CG2-CD1 4.24Å; I253-R263 CarbonylContact C-O 3.58Å; I253-R263 VanDerWaalsContact CA-O 3.32Å; I253-R263 WeakPolarHBondContact CA-O 3.44Å; I253-I264 HydrophobicContact CD1-CG2 4.35Å; I253-I264 HydrophobicContact CG1-CG2 4.15Å; I253-I264 HydrophobicContact CG2-CG1 4.31Å; I253-L279 HydrophobicContact CD1-CD1 4.11Å; I253-L279 HydrophobicContact CG2-CD1 4.2Å
254E91.1Very high91.2Very high100 Ų10055.7 Ų55.747%0.46728%0.283SS..EExtended strand (participates in β ladder)trans-111.6146.3174-59.2-174.7163.400109.3F262 R263 Y265E254-F262 CarbonylContact O-C 3.58Å; E254-F262 WeakPolarHBondContact O-CA 3.32Å; E254-R263 HydrophobicContact CB-CB 4.37Å; E254-R263 PolarHBondContact N-O 3.29Å; E254-R263 PolarHBondContact O-N 2.97Å; E254-Y265 HydrophobicContact CG-CE2 4.17Å
255L90.6Very high91.1Very high38 Ų3857.2 Ų57.220%0.19929%0.289CS..EExtended strand (participates in β ladder)trans-119.5115.9176.5170.958.2000108.6M230 I234 E257 F262M230-L255 HydrophobicContact CE-CD1 3.84Å; M230-L255 HydrophobicContact SD-CD1 4.02Å; M230-L255 HydrophobicContact SD-CD2 4.48Å; I234-L255 HydrophobicContact CD1-CD2 3.9Å; I234-L255 HydrophobicContact CG1-CD2 4.35Å; L255-E257 HydrophobicContact CD2-CG 4.4Å; L255-E257 HydrophobicContact CG-CG 4.21Å; L255-E257 PolarHBondContact O-N 3.11Å; L255-F262 HydrophobicContact CB-CD1 4.31Å; L255-F262 HydrophobicContact CB-CE1 4.34Å; L255-F262 HydrophobicContact CD1-CD1 4.03Å; L255-F262 HydrophobicContact CD1-CE1 3.83Å; L255-F262 HydrophobicContact CD1-CE2 4.44Å; L255-F262 HydrophobicContact CD1-CG 4.43Å; L255-F262 HydrophobicContact CD1-CZ 4.06Å; L255-F262 HydrophobicContact CD2-CE1 4.28Å; L255-F262 HydrophobicContact CG-CE1 4.37Å
256E91Very high91Very high71 Ų7152.2 Ų52.233%0.33227%0.27SS..EExtended strand (participates in β ladder)trans-91.592.3174.2-168176.6-96.500108.3E258 S259 C260 T261 R263E256-E258 VanDerWaalsContact C-N 3.32Å; E256-E258 PolarHBondContact O-N 3.11Å; E256-S259 WeakPolarHBondContact CG-OG 3.49Å; E256-S259 PolarHBondContact O-N 3.01Å; E256-S259 PolarHBondContact O-OG 2.96Å; E256-S259 VanDerWaalsContact OE2-CB 3.25Å; E256-S259 WeakPolarHBondContact OE2-CB 3.38Å; E256-S259 PolarHBondContact OE2-OG 2.63Å; E256-C260 WeakPolarHBondContact O-CA 3.37Å; E256-C260 PolarHBondContact O-N 3.13Å; E256-T261 PolarHBondContact N-O 2.65Å; E256-T261 PolarHBondContact O-N 3.01Å; E256-R263 IonicContact OE1-CZ 3.66Å; E256-R263 VanDerWaalsContact OE1-CZ 3.25Å; E256-R263 IonicContact OE1-NH1 3.83Å; E256-R263 PolarHBondContact OE1-NH1 3.26Å; E256-R263 IonicContact OE1-NH2 3.28Å; E256-R263 PolarHBondContact OE1-NH2 2.98Å; E256-R263 IonicContact OE2-NH2 2.7Å
257E85.2Confident90.7Very high126 Ų12651.9 Ų51.959%0.58927%0.271SS*.THydrogen-bonded Turntrans-58.8-39.7-172-63.9-170.8167.800112.6L255 S259 C260L255-E257 HydrophobicContact CD2-CG 4.4Å; L255-E257 HydrophobicContact CG-CG 4.21Å; L255-E257 PolarHBondContact O-N 3.11Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.04Å; E257-C260 PolarHBondContact O-N 3.3Å
258E86.1Confident90.5Very high201 Ų20154.3 Ų54.394%0.93929%0.286SS*.THydrogen-bonded Turntrans-63.6-32.1-178.9-63.1-168.9168.100113.9E256E256-E258 VanDerWaalsContact C-N 3.32Å; E256-E258 PolarHBondContact O-N 3.11Å
259S88.1Confident90.4Very high25 Ų2552.3 Ų52.318%0.17527%0.273CS..THydrogen-bonded Turntrans-99.7-12.4179.673.50000113.2R224 E256 E257 T261R224-S259 PolarHBondContact NE-O 2.87Å; R224-S259 PolarHBondContact NH2-O 3.18Å; E256-S259 WeakPolarHBondContact CG-OG 3.49Å; E256-S259 PolarHBondContact O-N 3.01Å; E256-S259 PolarHBondContact O-OG 2.96Å; E256-S259 VanDerWaalsContact OE2-CB 3.25Å; E256-S259 WeakPolarHBondContact OE2-CB 3.38Å; E256-S259 PolarHBondContact OE2-OG 2.63Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.04Å; S259-T261 VanDerWaalsContact C-N 3.35Å; S259-T261 WeakPolarHBondContact OG-CB 3.18Å; S259-T261 PolarHBondContact OG-N 3.49Å; S259-T261 PolarHBondContact OG-OG1 2.66Å
260C89.7Confident90.6Very high14 Ų1458.7 Ų58.710%0.09530%0.297CS..THydrogen-bonded Turntrans56.343.3-166.7-76.30000113.1V225 M230 E256 E257V225-C260 PolarHBondContact N-O 3.45Å; V225-C260 VanDerWaalsContact O-CB 3.24Å; V225-C260 WeakPolarHBondContact O-CB 3.24Å; M230-C260 HydrophobicContact CE-CB 3.5Å; E256-C260 WeakPolarHBondContact O-CA 3.37Å; E256-C260 PolarHBondContact O-N 3.13Å; E257-C260 PolarHBondContact O-N 3.3Å
261T92.1Very high90.6Very high14 Ų1457.7 Ų57.79%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-113.4131.3-178.1-49.30000111.7E222 V223 E256 S259E222-T261 HydrophobicContact CB-CG2 4.16Å; V223-T261 CarbonylContact O-C 3.15Å; V223-T261 WeakPolarHBondContact O-CA 3.43Å; E256-T261 PolarHBondContact N-O 2.65Å; E256-T261 PolarHBondContact O-N 3.01Å; S259-T261 VanDerWaalsContact C-N 3.35Å; S259-T261 WeakPolarHBondContact OG-CB 3.18Å; S259-T261 PolarHBondContact OG-N 3.49Å; S259-T261 PolarHBondContact OG-OG1 2.66Å
262F93.7Very high90.8Very high0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-90.3128.9166.1-63.3-86000109.5E222 V223 V225 M230 A233 I234 I241 I253 E254 L255 L279E222-F262 CarbonylContact C-O 3.49Å; E222-F262 WeakPolarHBondContact CA-O 3.47Å; V223-F262 PolarHBondContact N-O 3.33Å; V223-F262 PolarHBondContact O-N 3.49Å; V225-F262 HydrophobicContact CB-CE2 4.33Å; V225-F262 HydrophobicContact CG2-CD2 3.97Å; V225-F262 HydrophobicContact CG2-CE2 3.77Å; M230-F262 HydrophobicContact CE-CE2 3.82Å; M230-F262 HydrophobicContact CE-CZ 4.16Å; M230-F262 HydrophobicContact SD-CE2 3.68Å; M230-F262 HydrophobicContact SD-CZ 3.48Å; M230-F262 WeakPolarHBondContact SD-CZ 3.44Å; A233-F262 HydrophobicContact CB-CE2 3.74Å; A233-F262 HydrophobicContact CB-CZ 3.91Å; I234-F262 HydrophobicContact CG1-CZ 4.18Å; I241-F262 HydrophobicContact CD1-CD1 4.48Å; I241-F262 HydrophobicContact CD1-CE1 4.05Å; I253-F262 HydrophobicContact CG2-CD1 4.24Å; E254-F262 CarbonylContact O-C 3.58Å; E254-F262 WeakPolarHBondContact O-CA 3.32Å; L255-F262 HydrophobicContact CB-CD1 4.31Å; L255-F262 HydrophobicContact CB-CE1 4.34Å; L255-F262 HydrophobicContact CD1-CD1 4.03Å; L255-F262 HydrophobicContact CD1-CE1 3.83Å; L255-F262 HydrophobicContact CD1-CE2 4.44Å; L255-F262 HydrophobicContact CD1-CG 4.43Å; L255-F262 HydrophobicContact CD1-CZ 4.06Å; L255-F262 HydrophobicContact CD2-CE1 4.28Å; L255-F262 HydrophobicContact CG-CE1 4.37Å; F262-L279 HydrophobicContact CB-CD1 4.23Å; F262-L279 HydrophobicContact CD1-CD1 3.92Å; F262-L279 HydrophobicContact CD1-CD2 4.4Å; F262-L279 HydrophobicContact CD2-CB 4.31Å; F262-L279 HydrophobicContact CE1-CD1 4.42Å; F262-L279 HydrophobicContact CE1-CD2 4.08Å; F262-L279 HydrophobicContact CG-CD1 4Å; F262-L279 HydrophobicContact CZ-CD2 4.13Å
263R92.7Very high90.9Very high65 Ų6558.9 Ų58.925%0.24529%0.287CS..EExtended strand (participates in β ladder)trans-100.7123.8163.3-60.6-166.5171.59419.9108.4E222 I253 E254 E256 Y265E222-R263 HydrophobicContact CG-CG 4.24Å; E222-R263 IonicContact OE1-CZ 2.77Å; E222-R263 IonicContact OE1-NE 3.53Å; E222-R263 PolarHBondContact OE1-NE 3.39Å; E222-R263 IonicContact OE1-NH2 2.67Å; E222-R263 PolarHBondContact OE1-NH2 3.36Å; I253-R263 CarbonylContact C-O 3.58Å; I253-R263 VanDerWaalsContact CA-O 3.32Å; I253-R263 WeakPolarHBondContact CA-O 3.44Å; E254-R263 HydrophobicContact CB-CB 4.37Å; E254-R263 PolarHBondContact N-O 3.29Å; E254-R263 PolarHBondContact O-N 2.97Å; E256-R263 IonicContact OE1-CZ 3.66Å; E256-R263 VanDerWaalsContact OE1-CZ 3.25Å; E256-R263 IonicContact OE1-NH1 3.83Å; E256-R263 PolarHBondContact OE1-NH1 3.26Å; E256-R263 IonicContact OE1-NH2 3.28Å; E256-R263 PolarHBondContact OE1-NH2 2.98Å; E256-R263 IonicContact OE2-NH2 2.7Å; R263-Y265 HydrophobicContact CB-CE2 3.74Å; R263-Y265 WeakPolarHBondContact CD-OH 3.3Å
264I93.5Very high90.9Very high0 Ų062.9 Ų62.90%031%0.305CS..EExtended strand (participates in β ladder)trans-113.7125.5-177.6-52.1175.1000107.3Q220 E221 I253 V272 A275 R276 L279Q220-I264 VanDerWaalsContact CA-O 3.27Å; Q220-I264 WeakPolarHBondContact CA-O 3.27Å; E221-I264 PolarHBondContact N-O 3.41Å; E221-I264 PolarHBondContact O-N 3.18Å; I253-I264 HydrophobicContact CD1-CG2 4.35Å; I253-I264 HydrophobicContact CG1-CG2 4.15Å; I253-I264 HydrophobicContact CG2-CG1 4.31Å; I264-V272 HydrophobicContact CB-CG1 3.89Å; I264-V272 HydrophobicContact CG2-CB 4.36Å; I264-V272 HydrophobicContact CG2-CG1 3.71Å; I264-V272 WeakPolarHBondContact O-CG1 3.36Å; I264-A275 HydrophobicContact CD1-CB 4.43Å; I264-A275 HydrophobicContact CG2-CB 3.83Å; I264-R276 HydrophobicContact CD1-CB 3.85Å; I264-L279 HydrophobicContact CD1-CD1 3.96Å; I264-L279 HydrophobicContact CG1-CD1 4.34Å
265Y91.4Very high91.1Very high31 Ų3158.1 Ų58.112%0.12228%0.283CS..EExtended strand (participates in β ladder)trans-116.4136.4-179-62.8-83.2000110.2Y219 Q220 T251 A252 E254 R263Y219-Y265 CarbonylContact O-C 3.58Å; Y219-Y265 WeakPolarHBondContact O-CA 3.21Å; Q220-Y265 HydrophobicContact CB-CD1 3.81Å; Q220-Y265 HydrophobicContact CB-CE1 3.74Å; T251-Y265 PolarHBondContact N-O 2.84Å; A252-Y265 HydrophobicContact CB-CD2 4.18Å; A252-Y265 PolarHBondContact N-O 3.12Å; A252-Y265 VanDerWaalsContact N-O 3.13Å; A252-Y265 PolarHBondContact O-N 3.29Å; E254-Y265 HydrophobicContact CG-CE2 4.17Å; R263-Y265 HydrophobicContact CB-CE2 3.74Å; R263-Y265 WeakPolarHBondContact CD-OH 3.3Å
266G91.4Very high91.3Very high0 Ų058.6 Ų58.60%028%0.282CS..EExtended strand (participates in β ladder)trans-164.2164.6179.700000115.5Y219 G249 T251 T268 V272Y219-G266 PolarHBondContact N-O 3.1Å; Y219-G266 PolarHBondContact O-N 2.99Å; G249-G266 CarbonylContact O-C 3.47Å; G249-G266 WeakPolarHBondContact O-CA 3.3Å; T251-G266 WeakPolarHBondContact OG1-CA 3.32Å; G266-T268 VanDerWaalsContact C-N 3.33Å; G266-T268 PolarHBondContact O-N 3.49Å; G266-V272 VanDerWaalsContact CA-CG2 3.44Å; G266-V272 VanDerWaalsContact N-CG2 3.31Å
267E88.7Confident91.4Very high145 Ų14558.6 Ų58.668%0.67828%0.282SS*.SBendtrans-73.5-23.9-175.6-61.1178.817700112.9Y219 G249Y219-E267 WeakPolarHBondContact CD2-O 3.35Å; G249-E267 PolarHBondContact O-N 3.42Å
268T90.1Very high91.7Very high59 Ų5956.7 Ų56.736%0.36227%0.27SS..SBendtrans-132147.217873.50000111.2G266 E270 A271 V272G266-T268 VanDerWaalsContact C-N 3.33Å; G266-T268 PolarHBondContact O-N 3.49Å; T268-E270 PolarHBondContact O-N 3.14Å; T268-A271 PolarHBondContact O-N 3.1Å; T268-A271 WeakPolarHBondContact OG1-CB 3.46Å; T268-A271 PolarHBondContact OG1-N 3.38Å; T268-A271 VanDerWaalsContact OG1-N 3.15Å; T268-V272 WeakPolarHBondContact O-CG2 3.28Å; T268-V272 PolarHBondContact O-N 2.97Å
269P90.1Very high92Very high70 Ų7047.1 Ų47.146%0.45523%0.225SC..Hα-helixtrans-64.6-26.3176.627.5-35.1000112.1Y219 K273Y219-P269 HydrophobicContact CD1-CB 4.21Å; Y219-P269 HydrophobicContact CE1-CG 4.5Å; Y219-P269 HydrophobicContact CG-CB 4.39Å; P269-K273 VanDerWaalsContact O-CB 3.25Å; P269-K273 WeakPolarHBondContact O-CB 3.49Å; P269-K273 PolarHBondContact O-N 2.85Å
270E92.2Very high92.3Very high158 Ų15848 Ų4874%0.73823%0.227SC*.Hα-helixtrans-68.8-44.8177.8-61.9-177.5167.300111.9T268 K273 Q274T268-E270 PolarHBondContact O-N 3.14Å; E270-K273 PolarHBondContact O-N 3.01Å; E270-Q274 WeakPolarHBondContact O-CB 3.1Å; E270-Q274 PolarHBondContact O-N 2.88Å
271A93.4Very high92.5Very high4 Ų448.1 Ų48.13%0.03323%0.226CC..Hα-helixtrans-62.5-45.117700000111.9V247 P248 V250 T268 Q274 A275V247-A271 HydrophobicContact CG1-CB 4.23Å; V247-A271 WeakPolarHBondContact CG1-O 3.49Å; P248-A271 WeakPolarHBondContact O-CB 3.5Å; V250-A271 HydrophobicContact CG2-CB 4.41Å; T268-A271 PolarHBondContact O-N 3.1Å; T268-A271 WeakPolarHBondContact OG1-CB 3.46Å; T268-A271 PolarHBondContact OG1-N 3.38Å; T268-A271 VanDerWaalsContact OG1-N 3.15Å; A271-Q274 PolarHBondContact O-N 3.33Å; A271-A275 WeakPolarHBondContact O-CB 3.34Å; A271-A275 PolarHBondContact O-N 3.42Å
272V93.2Very high92.6Very high0 Ų050.7 Ų50.70%024%0.236CC..Hα-helixtrans-64.6-42.6179.1-178.20000110.8E221 I264 G266 T268 A275 R276E221-V272 HydrophobicContact CB-CG1 3.54Å; E221-V272 HydrophobicContact CG-CB 4.49Å; E221-V272 HydrophobicContact CG-CG1 3.57Å; I264-V272 HydrophobicContact CB-CG1 3.89Å; I264-V272 HydrophobicContact CG2-CB 4.36Å; I264-V272 HydrophobicContact CG2-CG1 3.71Å; I264-V272 WeakPolarHBondContact O-CG1 3.36Å; G266-V272 VanDerWaalsContact CA-CG2 3.44Å; G266-V272 VanDerWaalsContact N-CG2 3.31Å; T268-V272 WeakPolarHBondContact O-CG2 3.28Å; T268-V272 PolarHBondContact O-N 2.97Å; V272-A275 PolarHBondContact O-N 2.95Å; V272-R276 PolarHBondContact O-N 2.87Å
273K92.5Very high92.6Very high110 Ų11053.2 Ų53.248%0.47825%0.247SC..Hα-helixtrans-63.1-45.3174.8-175.2-164.2168.5-133.70112P269 E270 A275 R276 E277P269-K273 VanDerWaalsContact O-CB 3.25Å; P269-K273 WeakPolarHBondContact O-CB 3.49Å; P269-K273 PolarHBondContact O-N 2.85Å; E270-K273 PolarHBondContact O-N 3.01Å; K273-A275 VanDerWaalsContact C-N 3.31Å; K273-A275 PolarHBondContact O-N 2.93Å; K273-R276 WeakPolarHBondContact O-CA 3.42Å; K273-R276 VanDerWaalsContact O-CB 3.26Å; K273-R276 WeakPolarHBondContact O-CB 3.3Å; K273-R276 PolarHBondContact O-N 3.45Å; K273-R276 VanDerWaalsContact O-N 3.12Å; K273-E277 WeakPolarHBondContact CE-OE1 3.44Å; K273-E277 IonicContact NZ-OE1 2.69Å; K273-E277 PolarHBondContact NZ-OE1 2.94Å; K273-E277 VanDerWaalsContact NZ-OE1 3.15Å; K273-E277 PolarHBondContact O-N 3Å
274Q92.9Very high92.6Very high90 Ų9052.2 Ų52.242%0.42125%0.247SC..Hα-helixtrans-63.8-37.5178.5-176175.537.900111.6V247 E270 A271 R276 E277 Y278V247-Q274 HydrophobicContact CG1-CB 4.07Å; V247-Q274 HydrophobicContact CG1-CG 4.18Å; V247-Q274 HydrophobicContact CG2-CG 4.25Å; E270-Q274 WeakPolarHBondContact O-CB 3.1Å; E270-Q274 PolarHBondContact O-N 2.88Å; A271-Q274 PolarHBondContact O-N 3.33Å; Q274-R276 VanDerWaalsContact C-N 3.33Å; Q274-E277 PolarHBondContact O-N 3.49Å; Q274-Y278 HydrophobicContact CG-CE2 4.43Å; Q274-Y278 VanDerWaalsContact O-CD2 3.27Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.13Å
275A94.3Very high92.4Very high0 Ų056.6 Ų56.60%026%0.264CS..Hα-helixtrans-67.7-31.2173.200000113.3A244 V247 V250 I264 A271 V272 K273 E277A244-A275 HydrophobicContact CB-CB 4.23Å; V247-A275 HydrophobicContact CB-CB 4.34Å; V247-A275 HydrophobicContact CG2-CB 4.22Å; V250-A275 HydrophobicContact CG2-CB 3.62Å; I264-A275 HydrophobicContact CD1-CB 4.43Å; I264-A275 HydrophobicContact CG2-CB 3.83Å; A271-A275 WeakPolarHBondContact O-CB 3.34Å; A271-A275 PolarHBondContact O-N 3.42Å; V272-A275 PolarHBondContact O-N 2.95Å; K273-A275 VanDerWaalsContact C-N 3.31Å; K273-A275 PolarHBondContact O-N 2.93Å; A275-E277 VanDerWaalsContact C-N 3.32Å; A275-E277 PolarHBondContact O-N 2.85Å
276R94.4Very high92.4Very high47 Ų4756.3 Ų56.318%0.17726%0.264CS..Hα-helixtrans-60.7-38.6169.1144.7-175.3-70.4166.5-0.7111.7E221 E222 V223 I264 V272 K273 Q274 Y278 L279 E280E221-R276 IonicContact OE1-CZ 2.66Å; E221-R276 IonicContact OE1-NH1 3.57Å; E221-R276 PolarHBondContact OE1-NH1 3.38Å; E221-R276 IonicContact OE1-NH2 3.53Å; E221-R276 IonicContact OE2-CZ 3.42Å; E221-R276 IonicContact OE2-NH1 3.47Å; E221-R276 PolarHBondContact OE2-NH1 3.27Å; E221-R276 IonicContact OE2-NH2 2.65Å; E221-R276 PolarHBondContact OE2-NH2 2.87Å; E222-R276 PolarHBondContact O-NH2 2.94Å; V223-R276 HydrophobicContact CG2-CB 3.84Å; V223-R276 HydrophobicContact CG2-CG 3.7Å; I264-R276 HydrophobicContact CD1-CB 3.85Å; V272-R276 PolarHBondContact O-N 2.87Å; K273-R276 WeakPolarHBondContact O-CA 3.42Å; K273-R276 VanDerWaalsContact O-CB 3.26Å; K273-R276 WeakPolarHBondContact O-CB 3.3Å; K273-R276 PolarHBondContact O-N 3.45Å; K273-R276 VanDerWaalsContact O-N 3.12Å; Q274-R276 VanDerWaalsContact C-N 3.33Å; R276-Y278 PolarHBondContact O-N 2.86Å; R276-L279 CarbonylContact O-C 3.54Å; R276-L279 PolarHBondContact O-N 2.89Å; R276-E280 WeakPolarHBondContact CD-OE2 3.46Å; R276-E280 HydrophobicContact CG-CB 4.19Å; R276-E280 WeakPolarHBondContact CG-OE2 3.41Å; R276-E280 WeakPolarHBondContact O-CB 3.41Å; R276-E280 PolarHBondContact O-N 3.08Å
277E92.8Very high92.2Very high71 Ų7159.9 Ų59.933%0.33228%0.281SS..Hα-helixtrans-63.2-30-175.3-71159.7176.400112.2K273 Q274 A275K273-E277 WeakPolarHBondContact CE-OE1 3.44Å; K273-E277 IonicContact NZ-OE1 2.69Å; K273-E277 PolarHBondContact NZ-OE1 2.94Å; K273-E277 VanDerWaalsContact NZ-OE1 3.15Å; K273-E277 PolarHBondContact O-N 3Å; Q274-E277 PolarHBondContact O-N 3.49Å; A275-E277 VanDerWaalsContact C-N 3.32Å; A275-E277 PolarHBondContact O-N 2.85Å
278Y91.9Very high92.3Very high86 Ų8653 Ų5334%0.33725%0.249SC..THydrogen-bonded Turntrans-72.9-19170.5-69.3-84.4000114.9Q243 V247 Q274 R276 F281Q243-Y278 HydrophobicContact CB-CD1 3.84Å; Q243-Y278 HydrophobicContact CB-CE1 3.89Å; Q243-Y278 HydrophobicContact CB-CG 4.42Å; V247-Y278 HydrophobicContact CG2-CD2 4.18Å; V247-Y278 HydrophobicContact CG2-CE2 3.82Å; Q274-Y278 HydrophobicContact CG-CE2 4.43Å; Q274-Y278 VanDerWaalsContact O-CD2 3.27Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.13Å; R276-Y278 PolarHBondContact O-N 2.86Å; Y278-F281 WeakPolarHBondContact O-CE2 3.34Å
279L93.8Very high92.3Very high0 Ų051.2 Ų51.20%024%0.237CC..THydrogen-bonded Turntrans-114.4-22.2-170.7-64.8176.9000113.5V225 A233 I241 A244 I253 F262 I264 R276 F281V225-L279 VanDerWaalsContact CG2-O 3.24Å; V225-L279 WeakPolarHBondContact CG2-O 3.5Å; A233-L279 VanDerWaalsContact O-CD2 3.27Å; A233-L279 WeakPolarHBondContact O-CD2 3.17Å; I241-L279 HydrophobicContact CB-CD2 4.2Å; A244-L279 HydrophobicContact CB-CD1 3.91Å; A244-L279 HydrophobicContact CB-CD2 4.38Å; A244-L279 HydrophobicContact CB-CG 3.97Å; I253-L279 HydrophobicContact CD1-CD1 4.11Å; I253-L279 HydrophobicContact CG2-CD1 4.2Å; F262-L279 HydrophobicContact CB-CD1 4.23Å; F262-L279 HydrophobicContact CD1-CD1 3.92Å; F262-L279 HydrophobicContact CD1-CD2 4.4Å; F262-L279 HydrophobicContact CD2-CB 4.31Å; F262-L279 HydrophobicContact CE1-CD1 4.42Å; F262-L279 HydrophobicContact CE1-CD2 4.08Å; F262-L279 HydrophobicContact CG-CD1 4Å; F262-L279 HydrophobicContact CZ-CD2 4.13Å; I264-L279 HydrophobicContact CD1-CD1 3.96Å; I264-L279 HydrophobicContact CG1-CD1 4.34Å; R276-L279 CarbonylContact O-C 3.54Å; R276-L279 PolarHBondContact O-N 2.89Å; L279-F281 PolarHBondContact O-N 3.21Å
280E93.8Very high92.1Very high43 Ų4354.5 Ų54.520%0.20124%0.241CC..  trans-76.965.3-177.6-162.2174.417800112.1V223 R276 T340 K341V223-E280 HydrophobicContact CG1-CB 3.95Å; V223-E280 HydrophobicContact CG1-CG 3.98Å; R276-E280 WeakPolarHBondContact CD-OE2 3.46Å; R276-E280 HydrophobicContact CG-CB 4.19Å; R276-E280 WeakPolarHBondContact CG-OE2 3.41Å; R276-E280 WeakPolarHBondContact O-CB 3.41Å; R276-E280 PolarHBondContact O-N 3.08Å; E280-T340 WeakPolarHBondContact O-CA 3.34Å; E280-K341 HydrophobicContact CG-CB 4.33Å; E280-K341 HydrophobicContact CG-CD 4.06Å; E280-K341 PolarHBondContact O-N 3.23Å; E280-K341 WeakPolarHBondContact OE1-CD 3.41Å; E280-K341 WeakPolarHBondContact OE1-CE 3.31Å; E280-K341 IonicContact OE1-NZ 3.1Å; E280-K341 PolarHBondContact OE1-NZ 3.3Å; E280-K341 WeakPolarHBondContact OE2-CD 3.25Å; E280-K341 IonicContact OE2-NZ 2.65Å; E280-K341 PolarHBondContact OE2-NZ 2.89Å
281F94.4Very high91.8Very high18 Ų1852.8 Ų52.88%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-77.4125.3169.9-81.3-99.1000110.9V225 L229 L232 A233 Y278 L279 V314 G339 T340V225-F281 HydrophobicContact CG1-CB 4.33Å; L229-F281 HydrophobicContact CB-CB 4.41Å; L232-F281 HydrophobicContact CB-CD1 3.71Å; L232-F281 HydrophobicContact CB-CE1 3.8Å; L232-F281 HydrophobicContact CB-CG 4.21Å; L232-F281 HydrophobicContact CB-CZ 4.36Å; L232-F281 HydrophobicContact CD1-CD1 4.41Å; L232-F281 WeakPolarHBondContact O-CE2 3.37Å; A233-F281 VanDerWaalsContact CA-CD2 3.48Å; A233-F281 HydrophobicContact CB-CB 4.38Å; A233-F281 HydrophobicContact CB-CD2 3.86Å; A233-F281 HydrophobicContact CB-CG 4.4Å; Y278-F281 WeakPolarHBondContact O-CE2 3.34Å; L279-F281 PolarHBondContact O-N 3.21Å; F281-V314 HydrophobicContact CE1-CG2 4.04Å; F281-G339 WeakPolarHBondContact CA-O 3.38Å; F281-G339 VanDerWaalsContact CD1-C 3.47Å; F281-T340 HydrophobicContact CD2-CG2 4.06Å; F281-T340 HydrophobicContact CE1-CG2 4.17Å; F281-T340 HydrophobicContact CE2-CG2 3.63Å; F281-T340 HydrophobicContact CZ-CG2 3.69Å
282K94.1Very high91.7Very high68 Ų6852.7 Ų52.730%0.29624%0.236SC..EExtended strand (participates in β ladder)trans-131.4172.7175.867.8170.9178.9163.40111.8D284 G339 I344K282-D284 HydrophobicContact CD-CB 4.5Å; K282-D284 WeakPolarHBondContact CE-OD2 3.32Å; K282-D284 IonicContact NZ-OD2 3.96Å; K282-D284 PolarHBondContact NZ-OD2 3.2Å; K282-G339 PolarHBondContact N-O 2.81Å; K282-G339 PolarHBondContact O-N 3.37Å; K282-I344 HydrophobicContact CD-CD1 4.48Å; K282-I344 HydrophobicContact CG-CD1 3.6Å; K282-I344 WeakPolarHBondContact O-CD1 3.44Å
283E93Very high91.5Very high52 Ų5253.6 Ų53.624%0.24324%0.241CC..EExtended strand (participates in β ladder)trans-120.6130.1166.4177.5155.7164.600107.3L229 R315 R317 V336 F337 V338L229-E283 HydrophobicContact CD1-CB 4.24Å; E283-R315 IonicContact OE2-NH2 3.71Å; E283-R315 PolarHBondContact OE2-NH2 2.86Å; E283-R317 IonicContact OE1-CZ 2.64Å; E283-R317 IonicContact OE1-NE 3Å; E283-R317 IonicContact OE1-NH2 2.68Å; E283-R317 PolarHBondContact OE1-NH2 3.27Å; E283-R317 IonicContact OE2-CZ 2.63Å; E283-R317 IonicContact OE2-NH2 3.28Å; E283-R317 PolarHBondContact OE2-NH2 2.8Å; E283-V336 HydrophobicContact CG-CG1 3.54Å; E283-V336 WeakPolarHBondContact OE1-CG1 3.49Å; E283-F337 WeakPolarHBondContact CA-O 3.31Å; E283-V338 HydrophobicContact CB-CG2 3.86Å; E283-V338 HydrophobicContact CG-CG2 3.63Å; E283-V338 VanDerWaalsContact OE2-CG2 3.24Å; E283-V338 WeakPolarHBondContact OE2-CG2 3.27Å
284D93Very high91.3Very high45 Ų4551.2 Ų51.224%0.24125%0.248CC..EExtended strand (participates in β ladder)trans-142.2160.5-173.5-145.5-27.1000111K282 V336 F337 I344K282-D284 HydrophobicContact CD-CB 4.5Å; K282-D284 WeakPolarHBondContact CE-OD2 3.32Å; K282-D284 IonicContact NZ-OD2 3.96Å; K282-D284 PolarHBondContact NZ-OD2 3.2Å; D284-V336 CarbonylContact O-C 3.55Å; D284-V336 VanDerWaalsContact O-CA 3.3Å; D284-V336 WeakPolarHBondContact O-CA 3.4Å; D284-V336 WeakPolarHBondContact O-CG1 3.5Å; D284-F337 PolarHBondContact N-O 2.98Å; D284-F337 PolarHBondContact O-N 3.44Å; D284-I344 HydrophobicContact CB-CD1 4.45Å; D284-I344 HydrophobicContact CB-CG2 3.75Å
285Y89.9Confident91.2Very high92 Ų9250.3 Ų50.336%0.36124%0.243SC..EExtended strand (participates in β ladder)trans-136.7133.8-17164.6-87.1000114.4L326 P334 F335Y285-L326 HydrophobicContact CD1-CD1 3.96Å; Y285-L326 HydrophobicContact CD1-CD2 3.91Å; Y285-L326 HydrophobicContact CD2-CD1 3.83Å; Y285-L326 HydrophobicContact CE1-CD1 4.41Å; Y285-L326 HydrophobicContact CE1-CD2 3.63Å; Y285-L326 HydrophobicContact CE2-CD1 4.27Å; Y285-L326 HydrophobicContact CE2-CD2 4.34Å; Y285-L326 HydrophobicContact CG-CD1 3.66Å; Y285-L326 HydrophobicContact CG-CD2 4.39Å; Y285-P334 HydrophobicContact CD2-CB 4.43Å; Y285-F335 WeakPolarHBondContact CA-O 3.31Å
286F90.1Very high91.1Very high24 Ų2450.3 Ų50.311%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-117.3132.1178.9-53.4-56.2000110.6P334 F335 F337 I344 Q348 L351F286-P334 WeakPolarHBondContact O-CA 3.42Å; F286-F335 PolarHBondContact N-O 2.95Å; F286-F335 PolarHBondContact O-N 2.85Å; F286-F337 AromaticContact CD2-CD2 3.56Å; F286-F337 HydrophobicContact CD2-CD2 3.56Å; F286-F337 AromaticContact CD2-CE2 3.76Å; F286-F337 HydrophobicContact CD2-CE2 3.76Å; F286-F337 AromaticContact CE2-CD2 3.86Å; F286-F337 HydrophobicContact CE2-CD2 3.86Å; F286-F337 HydrophobicContact CE2-CE2 4.4Å; F286-I344 HydrophobicContact CE2-CG2 4.07Å; F286-I344 HydrophobicContact CZ-CG2 3.81Å; F286-Q348 HydrophobicContact CD1-CB 4.45Å; F286-Q348 HydrophobicContact CD1-CG 3.87Å; F286-Q348 HydrophobicContact CD2-CB 4.27Å; F286-Q348 HydrophobicContact CD2-CG 4.45Å; F286-Q348 HydrophobicContact CE1-CB 3.91Å; F286-Q348 HydrophobicContact CE1-CG 3.58Å; F286-Q348 HydrophobicContact CE2-CB 3.7Å; F286-Q348 HydrophobicContact CE2-CG 4.19Å; F286-Q348 HydrophobicContact CG-CG 4.33Å; F286-Q348 HydrophobicContact CZ-CB 3.52Å; F286-Q348 HydrophobicContact CZ-CG 3.77Å; F286-L351 HydrophobicContact CB-CD2 3.88Å; F286-L351 HydrophobicContact CD2-CD2 4.33Å
287Q88.5Confident91Very high76 Ų7650.4 Ų50.436%0.35525%0.246SC..EExtended strand (participates in β ladder)trans-86.7124.9-176-66.4-162.827.900111M332Q287-M332 HydrophobicContact CB-CB 4.11Å; Q287-M332 HydrophobicContact CB-CG 4.33Å; Q287-M332 HydrophobicContact CG-CB 4.5Å
288V90.3Very high90.9Very high1 Ų147.7 Ų47.71%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-115.4130179.7178.10000109.8R290 V293 V296 V333 F335 L351 V355V288-R290 PolarHBondContact O-N 2.93Å; V288-V293 HydrophobicContact CB-CG2 4.3Å; V288-V293 HydrophobicContact CG1-CG2 3.9Å; V288-V296 HydrophobicContact CG1-CB 4.43Å; V288-V296 HydrophobicContact CG1-CG2 3.94Å; V288-V333 PolarHBondContact N-O 3.48Å; V288-V333 PolarHBondContact O-N 2.82Å; V288-F335 HydrophobicContact CB-CD1 3.8Å; V288-F335 HydrophobicContact CB-CE1 3.7Å; V288-F335 HydrophobicContact CG1-CE1 4.08Å; V288-F335 HydrophobicContact CG2-CD1 3.43Å; V288-F335 VanDerWaalsContact CG2-CD1 3.43Å; V288-F335 HydrophobicContact CG2-CE1 3.7Å; V288-F335 HydrophobicContact CG2-CG 4.04Å; V288-F335 HydrophobicContact CG2-CZ 4.47Å; V288-L351 HydrophobicContact CG2-CD1 4.15Å; V288-L351 HydrophobicContact CG2-CD2 4.04Å; V288-L351 HydrophobicContact CG2-CG 4.36Å; V288-V355 HydrophobicContact CG1-CG2 4.18Å; V288-V355 HydrophobicContact CG2-CG2 4.37Å
289P89.8Confident90.8Very high20 Ų2052.6 Ų52.613%0.1326%0.26CS..EExtended strand (participates in β ladder)trans-57.5129.3176.7-27.835.8000112.7N291 L292 V293 M332P289-N291 WeakPolarHBondContact CB-OD1 3.49Å; P289-N291 PolarHBondContact O-N 3.48Å; P289-N291 VanDerWaalsContact O-N 3.12Å; P289-L292 HydrophobicContact CB-CD1 4.27Å; P289-L292 HydrophobicContact CB-CG 4.36Å; P289-L292 HydrophobicContact CG-CD1 4.32Å; P289-L292 WeakPolarHBondContact O-CA 3.43Å; P289-L292 PolarHBondContact O-N 2.62Å; P289-V293 PolarHBondContact O-N 2.78Å; P289-V293 VanDerWaalsContact O-N 3.13Å; P289-M332 HydrophobicContact CB-SD 4.28Å; P289-M332 HydrophobicContact CG-CE 4.28Å; P289-M332 HydrophobicContact CG-SD 3.9Å
290R85.9Confident90.5Very high140 Ų14060.4 Ų60.453%0.52830%0.302SS..Hα-helixtrans-55.3-32.6-173.2-175.2179.7-175.71275.7114.1V288 L292 D321 G331 V333V288-R290 PolarHBondContact O-N 2.93Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.44Å; R290-D321 IonicContact CZ-OD1 2.62Å; R290-D321 IonicContact CZ-OD2 3.25Å; R290-D321 VanDerWaalsContact CZ-OD2 3.28Å; R290-D321 VanDerWaalsContact NH1-CG 3.26Å; R290-D321 IonicContact NH1-OD1 3.34Å; R290-D321 PolarHBondContact NH1-OD1 2.78Å; R290-D321 IonicContact NH1-OD2 2.72Å; R290-D321 PolarHBondContact NH1-OD2 3.44Å; R290-D321 IonicContact NH2-OD1 3.47Å; R290-D321 IonicContact NH2-OD2 2.91Å; R290-D321 PolarHBondContact NH2-OD2 2.82Å; R290-G331 WeakPolarHBondContact CB-O 3.19Å; R290-G331 PolarHBondContact N-O 3.43Å; R290-V333 HydrophobicContact CB-CG2 4.14Å; R290-V333 HydrophobicContact CG-CG2 4.29Å
291N86.8Confident90.4Very high121 Ų12159.3 Ų59.365%0.64730%0.302SS*.Hα-helixtrans-69.4-20.8174.762.1-35000113.6P289P289-N291 WeakPolarHBondContact CB-OD1 3.49Å; P289-N291 PolarHBondContact O-N 3.48Å; P289-N291 VanDerWaalsContact O-N 3.12Å
292L89.9Confident90.3Very high3 Ų365.9 Ų65.92%0.01633%0.331CS..Hα-helixtrans-102.6-22-179.9-58.4-180000113.3P289 R290 G294 K295 V296 V355 L358 Q359P289-L292 HydrophobicContact CB-CD1 4.27Å; P289-L292 HydrophobicContact CB-CG 4.36Å; P289-L292 HydrophobicContact CG-CD1 4.32Å; P289-L292 WeakPolarHBondContact O-CA 3.43Å; P289-L292 PolarHBondContact O-N 2.62Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.44Å; L292-G294 VanDerWaalsContact C-N 3.28Å; L292-G294 PolarHBondContact O-N 2.97Å; L292-G294 VanDerWaalsContact O-N 3.13Å; L292-K295 HydrophobicContact CD2-CD 4.18Å; L292-K295 WeakPolarHBondContact O-CA 3.31Å; L292-K295 WeakPolarHBondContact O-CB 3.44Å; L292-K295 PolarHBondContact O-N 2.7Å; L292-V296 HydrophobicContact CB-CG2 4.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.48Å; L292-V296 PolarHBondContact O-N 3.01Å; L292-V355 HydrophobicContact CD1-CG1 4.17Å; L292-L358 HydrophobicContact CD2-CB 4.29Å; L292-Q359 HydrophobicContact CD1-CG 3.58Å
293V89.7Confident90.3Very high19 Ų1964.5 Ų64.512%0.11533%0.328CS..Hα-helixtrans-44.9-48.3-179.8174.50000113V288 P289 K295 V296 I297 V333 F335V288-V293 HydrophobicContact CB-CG2 4.3Å; V288-V293 HydrophobicContact CG1-CG2 3.9Å; P289-V293 PolarHBondContact O-N 2.78Å; P289-V293 VanDerWaalsContact O-N 3.13Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 2.92Å; V293-V296 PolarHBondContact O-N 2.94Å; V293-I297 HydrophobicContact CG1-CD1 3.68Å; V293-I297 HydrophobicContact CG1-CG1 4.38Å; V293-I297 WeakPolarHBondContact O-CB 3.44Å; V293-I297 VanDerWaalsContact O-CG1 3.28Å; V293-I297 WeakPolarHBondContact O-CG1 3.4Å; V293-I297 PolarHBondContact O-N 2.93Å; V293-V333 HydrophobicContact CG2-CB 3.79Å; V293-V333 HydrophobicContact CG2-CG1 4.25Å; V293-V333 HydrophobicContact CG2-CG2 3.92Å; V293-F335 HydrophobicContact CG1-CE1 4.13Å; V293-F335 HydrophobicContact CG1-CZ 4.11Å; V293-F335 HydrophobicContact CG2-CE1 4.16Å
294G89Confident90.4Very high60 Ų6062.7 Ų62.762%0.61932%0.32SS*.Hα-helixtrans-66.2-23.6179.400000114.8L292L292-G294 VanDerWaalsContact C-N 3.28Å; L292-G294 PolarHBondContact O-N 2.97Å; L292-G294 VanDerWaalsContact O-N 3.13Å
295K89.8Confident90.4Very high71 Ų7165.2 Ų65.231%0.30933%0.33SS..Hα-helixtrans-82.6-43.3172.3-56.5-175.6-170.2173.60111.4L292 V293 G298 L358 E362L292-K295 HydrophobicContact CD2-CD 4.18Å; L292-K295 WeakPolarHBondContact O-CA 3.31Å; L292-K295 WeakPolarHBondContact O-CB 3.44Å; L292-K295 PolarHBondContact O-N 2.7Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 2.92Å; K295-G298 VanDerWaalsContact O-CA 3.28Å; K295-G298 WeakPolarHBondContact O-CA 3.31Å; K295-G298 PolarHBondContact O-N 3.27Å; K295-L358 HydrophobicContact CB-CD1 3.62Å; K295-L358 HydrophobicContact CB-CD2 3.98Å; K295-L358 HydrophobicContact CB-CG 4.42Å; K295-L358 HydrophobicContact CD-CD1 4.47Å; K295-L358 HydrophobicContact CD-CD2 3.9Å; K295-E362 IonicContact NZ-OE2 2.75Å; K295-E362 PolarHBondContact NZ-OE2 2.95Å
296V92.7Very high90.6Very high0 Ų065.4 Ų65.40%034%0.335CS..Hα-helixtrans-62.4-41179.5170.40000112.1V288 L292 V293 G298 V303 I304 F335 L351 V355 L358V288-V296 HydrophobicContact CG1-CB 4.43Å; V288-V296 HydrophobicContact CG1-CG2 3.94Å; L292-V296 HydrophobicContact CB-CG2 4.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.48Å; L292-V296 PolarHBondContact O-N 3.01Å; V293-V296 PolarHBondContact O-N 2.94Å; V296-G298 VanDerWaalsContact C-N 3.27Å; V296-V303 WeakPolarHBondContact O-CB 3.37Å; V296-I304 PolarHBondContact O-N 3.29Å; V296-F335 HydrophobicContact CG1-CE2 4Å; V296-F335 HydrophobicContact CG1-CZ 3.97Å; V296-L351 HydrophobicContact CG1-CD1 3.5Å; V296-V355 HydrophobicContact CG2-CG2 3.91Å; V296-L358 HydrophobicContact CB-CD1 4.44Å; V296-L358 HydrophobicContact CG2-CD1 3.52Å
297I91.3Very high90.8Very high48 Ų4864.8 Ų64.825%0.24633%0.332CS..Hα-helixtrans-63.2-40.4170-66.6168.4000109.9V293 G301 K302 V303 I304 I318 F335V293-I297 HydrophobicContact CG1-CD1 3.68Å; V293-I297 HydrophobicContact CG1-CG1 4.38Å; V293-I297 WeakPolarHBondContact O-CB 3.44Å; V293-I297 VanDerWaalsContact O-CG1 3.28Å; V293-I297 WeakPolarHBondContact O-CG1 3.4Å; V293-I297 PolarHBondContact O-N 2.93Å; I297-G301 CarbonylContact O-C 3.6Å; I297-G301 WeakPolarHBondContact O-CA 3.5Å; I297-K302 PolarHBondContact O-N 3.07Å; I297-V303 PolarHBondContact O-N 3.46Å; I297-I304 HydrophobicContact CB-CG2 4.37Å; I297-I304 HydrophobicContact CG2-CG2 4.14Å; I297-I304 PolarHBondContact O-N 3.42Å; I297-I318 HydrophobicContact CD1-CD1 3.69Å; I297-I318 HydrophobicContact CG1-CD1 3.69Å; I297-F335 HydrophobicContact CG1-CE2 4.26Å; I297-F335 HydrophobicContact CG1-CZ 4.01Å
298G91Very high91.1Very high15 Ų1561.9 Ų61.916%0.15532%0.32CS..  trans74.1174.1-177.700000113.2K295 V296 N300 G301K295-G298 VanDerWaalsContact O-CA 3.28Å; K295-G298 WeakPolarHBondContact O-CA 3.31Å; K295-G298 PolarHBondContact O-N 3.27Å; V296-G298 VanDerWaalsContact C-N 3.27Å; G298-N300 PolarHBondContact O-N 3.44Å; G298-N300 VanDerWaalsContact O-N 3.13Å; G298-G301 PolarHBondContact O-N 3.24Å; G298-G301 VanDerWaalsContact O-N 3.09Å
299K91Very high91.3Very high188 Ų18867.2 Ų67.282%0.81735%0.348SS*.G310 helixtrans-59.6119.6179.7-64.8178.5-177.8174.90109.6G301 K302K299-G301 PolarHBondContact O-N 2.68Å; K299-K302 WeakPolarHBondContact O-CB 3.38Å; K299-K302 WeakPolarHBondContact O-CG 3.45Å; K299-K302 PolarHBondContact O-N 2.81Å
300N87.7Confident91.5Very high165 Ų16572.5 Ų72.588%0.88237%0.369SS*.G310 helixtrans56.428.6-176.9-54.12.4000114.6G298 K302G298-N300 PolarHBondContact O-N 3.44Å; G298-N300 VanDerWaalsContact O-N 3.13Å; N300-K302 VanDerWaalsContact C-N 3.28Å; N300-K302 PolarHBondContact O-N 3.39Å
301G90.3Very high92Very high19 Ų1966 Ų6620%0.19635%0.345CS..G310 helixtrans78.64.7179.500000115.3I297 G298 K299 V303 I304 Q305I297-G301 CarbonylContact O-C 3.6Å; I297-G301 WeakPolarHBondContact O-CA 3.5Å; G298-G301 PolarHBondContact O-N 3.24Å; G298-G301 VanDerWaalsContact O-N 3.09Å; K299-G301 PolarHBondContact O-N 2.68Å; G301-V303 VanDerWaalsContact C-N 3.3Å; G301-V303 PolarHBondContact O-N 3.45Å; G301-I304 VanDerWaalsContact O-CG2 3.3Å; G301-I304 WeakPolarHBondContact O-CG2 3.36Å; G301-I304 PolarHBondContact O-N 3.32Å; G301-Q305 WeakPolarHBondContact O-CB 3.37Å; G301-Q305 PolarHBondContact O-N 2.97Å
302K93.4Very high92.2Very high156 Ų15662.3 Ų62.368%0.67834%0.335SS*.Hα-helixtrans-57.4-37.5-173.6-76.8-170.8173.3-159.70114.4I297 K299 N300 E306I297-K302 PolarHBondContact O-N 3.07Å; K299-K302 WeakPolarHBondContact O-CB 3.38Å; K299-K302 WeakPolarHBondContact O-CG 3.45Å; K299-K302 PolarHBondContact O-N 2.81Å; N300-K302 VanDerWaalsContact C-N 3.28Å; N300-K302 PolarHBondContact O-N 3.39Å; K302-E306 WeakPolarHBondContact O-CB 3.33Å; K302-E306 PolarHBondContact O-N 3.04Å
303V94.1Very high92.4Very high40 Ų4062.5 Ų62.524%0.24234%0.337CS..Hα-helixtrans-78.8-42.4-173.8179.10000110.8V296 I297 G301 Q305 E306 I307V296-V303 WeakPolarHBondContact O-CB 3.37Å; I297-V303 PolarHBondContact O-N 3.46Å; G301-V303 VanDerWaalsContact C-N 3.3Å; G301-V303 PolarHBondContact O-N 3.45Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 PolarHBondContact O-N 3.38Å; V303-E306 WeakPolarHBondContact O-CB 3.46Å; V303-E306 PolarHBondContact O-N 2.97Å; V303-I307 WeakPolarHBondContact O-CG1 3.32Å; V303-I307 PolarHBondContact O-N 3.16Å
304I93.7Very high92.5Very high13 Ų1365.2 Ų65.27%0.06735%0.353CS..Hα-helixtrans-67.7-32.1173.9-171.561.2000111.9V296 I297 G301 I307 V308 V316 F335 F337V296-I304 PolarHBondContact O-N 3.29Å; I297-I304 HydrophobicContact CB-CG2 4.37Å; I297-I304 HydrophobicContact CG2-CG2 4.14Å; I297-I304 PolarHBondContact O-N 3.42Å; G301-I304 VanDerWaalsContact O-CG2 3.3Å; G301-I304 WeakPolarHBondContact O-CG2 3.36Å; G301-I304 PolarHBondContact O-N 3.32Å; I304-I307 HydrophobicContact CD1-CB 4.4Å; I304-I307 HydrophobicContact CD1-CD1 4.35Å; I304-I307 PolarHBondContact O-N 3.18Å; I304-V308 WeakPolarHBondContact O-CG2 3.33Å; I304-V308 PolarHBondContact O-N 3.11Å; I304-V316 HydrophobicContact CD1-CG2 4.49Å; I304-V316 HydrophobicContact CG1-CG1 3.99Å; I304-F335 HydrophobicContact CD1-CD2 3.83Å; I304-F335 HydrophobicContact CD1-CE2 3.87Å; I304-F335 HydrophobicContact CG1-CD2 4.36Å; I304-F335 HydrophobicContact CG1-CE2 4.11Å; I304-F337 HydrophobicContact CD1-CE1 4.35Å; I304-F337 HydrophobicContact CD1-CZ 4.01Å
305Q93.9Very high92.6Very high98 Ų9866.1 Ų66.146%0.45834%0.338SS..Hα-helixtrans-64.8-43.1170.5-169.164.153.200111.5G301 V303 I307 V308 D309G301-Q305 WeakPolarHBondContact O-CB 3.37Å; G301-Q305 PolarHBondContact O-N 2.97Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 PolarHBondContact O-N 3.38Å; Q305-I307 VanDerWaalsContact C-N 3.29Å; Q305-I307 PolarHBondContact O-N 2.9Å; Q305-V308 WeakPolarHBondContact O-CB 3.42Å; Q305-V308 PolarHBondContact O-N 3.16Å; Q305-V308 VanDerWaalsContact O-N 3.09Å; Q305-D309 PolarHBondContact NE2-OD1 2.89Å; Q305-D309 WeakPolarHBondContact O-CB 3.22Å; Q305-D309 PolarHBondContact O-N 3.01Å
306E94.1Very high92.8Very high97 Ų9764.7 Ų64.745%0.45334%0.335SS..Hα-helixtrans-60.8-36.2175.7-169.5-175.1151.600112.4K302 V303 K310K302-E306 WeakPolarHBondContact O-CB 3.33Å; K302-E306 PolarHBondContact O-N 3.04Å; V303-E306 WeakPolarHBondContact O-CB 3.46Å; V303-E306 PolarHBondContact O-N 2.97Å; E306-K310 HydrophobicContact CG-CD 4.1Å; E306-K310 VanDerWaalsContact O-CB 3.28Å; E306-K310 WeakPolarHBondContact O-CB 3.22Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.43Å; E306-K310 PolarHBondContact O-N 2.95Å; E306-K310 WeakPolarHBondContact OE1-CE 3.39Å; E306-K310 IonicContact OE1-NZ 2.8Å; E306-K310 PolarHBondContact OE1-NZ 3.3Å
307I94.4Very high92.7Very high11 Ų1170 Ų706%0.05636%0.355CS..Hα-helixtrans-65.5-44172.2-67.6168000110.9V303 I304 Q305 S311 L350 L351 H354V303-I307 WeakPolarHBondContact O-CG1 3.32Å; V303-I307 PolarHBondContact O-N 3.16Å; I304-I307 HydrophobicContact CD1-CB 4.4Å; I304-I307 HydrophobicContact CD1-CD1 4.35Å; I304-I307 PolarHBondContact O-N 3.18Å; Q305-I307 VanDerWaalsContact C-N 3.29Å; Q305-I307 PolarHBondContact O-N 2.9Å; I307-S311 VanDerWaalsContact O-CB 3.27Å; I307-S311 WeakPolarHBondContact O-CB 3.36Å; I307-S311 PolarHBondContact O-N 3.15Å; I307-S311 PolarHBondContact O-OG 2.97Å; I307-L350 HydrophobicContact CG1-CB 4.37Å; I307-L350 HydrophobicContact CG2-CB 4.04Å; I307-L351 HydrophobicContact CD1-CD1 4.29Å; I307-H354 HydrophobicContact CD1-CB 4.44Å
308V94.6Very high92.5Very high15 Ų1570.9 Ų70.99%0.09136%0.36CS..Hα-helixtrans-62.4-50177167.30000111.2I304 Q305 K310 S311 G312 V313 V316 F337I304-V308 WeakPolarHBondContact O-CG2 3.33Å; I304-V308 PolarHBondContact O-N 3.11Å; Q305-V308 WeakPolarHBondContact O-CB 3.42Å; Q305-V308 PolarHBondContact O-N 3.16Å; Q305-V308 VanDerWaalsContact O-N 3.09Å; V308-K310 VanDerWaalsContact C-N 3.33Å; V308-K310 PolarHBondContact O-N 3.31Å; V308-S311 PolarHBondContact O-N 3.05Å; V308-S311 PolarHBondContact O-OG 2.96Å; V308-S311 VanDerWaalsContact O-OG 3.14Å; V308-G312 PolarHBondContact O-N 3.01Å; V308-V313 HydrophobicContact CB-CG2 4.08Å; V308-V313 HydrophobicContact CG1-CG2 3.92Å; V308-V313 HydrophobicContact CG2-CG2 3.89Å; V308-V316 HydrophobicContact CG2-CB 4.08Å; V308-V316 HydrophobicContact CG2-CG1 3.75Å; V308-F337 HydrophobicContact CG2-CE1 4.39Å
309D94.3Very high91.9Very high112 Ų11271.7 Ų71.760%0.59936%0.359SS*.Hα-helixtrans-62.6-38-178.2-63.9-14.1000111.9Q305Q305-D309 PolarHBondContact NE2-OD1 2.89Å; Q305-D309 WeakPolarHBondContact O-CB 3.22Å; Q305-D309 PolarHBondContact O-N 3.01Å
310K94.8Very high90.7Very high131 Ų13164.8 Ų64.857%0.5734%0.342SS*.Hα-helixtrans-77.6-25.4177.7-75.6175.2172.2174.10114.5E306 V308 L350E306-K310 HydrophobicContact CG-CD 4.1Å; E306-K310 VanDerWaalsContact O-CB 3.28Å; E306-K310 WeakPolarHBondContact O-CB 3.22Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.43Å; E306-K310 PolarHBondContact O-N 2.95Å; E306-K310 WeakPolarHBondContact OE1-CE 3.39Å; E306-K310 IonicContact OE1-NZ 2.8Å; E306-K310 PolarHBondContact OE1-NZ 3.3Å; V308-K310 VanDerWaalsContact C-N 3.33Å; V308-K310 PolarHBondContact O-N 3.31Å; K310-L350 HydrophobicContact CB-CD1 3.63Å
311S94.7Very high89.3Confident4 Ų461.4 Ų61.43%0.02832%0.323CS..Hα-helixtrans-93.8-18.2-178.755.60000113.9I307 V308 V313 N343 A347I307-S311 VanDerWaalsContact O-CB 3.27Å; I307-S311 WeakPolarHBondContact O-CB 3.36Å; I307-S311 PolarHBondContact O-N 3.15Å; I307-S311 PolarHBondContact O-OG 2.97Å; V308-S311 PolarHBondContact O-N 3.05Å; V308-S311 PolarHBondContact O-OG 2.96Å; V308-S311 VanDerWaalsContact O-OG 3.14Å; S311-V313 PolarHBondContact O-N 3.38Å; S311-V313 WeakPolarHBondContact OG-CG2 3.34Å; S311-N343 WeakPolarHBondContact O-CA 3.49Å; S311-N343 WeakPolarHBondContact O-CB 3.42Å; S311-A347 VanDerWaalsContact CB-N 3.33Å
312G92.9Very high87.6Confident43 Ų4367.7 Ų67.744%0.44335%0.353SS..THydrogen-bonded Turntrans72.313.1-177.900000114.2V308 N343V308-G312 PolarHBondContact O-N 3.01Å; G312-N343 VanDerWaalsContact C-ND2 3.33Å; G312-N343 PolarHBondContact O-ND2 2.85Å
313V93.8Very high85.9Confident7 Ų763.8 Ų63.84%0.04234%0.339CS..  trans-65.8140.5173.5-65.50000110.6V308 S311 R315 F337 N343 I344 A347V308-V313 HydrophobicContact CB-CG2 4.08Å; V308-V313 HydrophobicContact CG1-CG2 3.92Å; V308-V313 HydrophobicContact CG2-CG2 3.89Å; S311-V313 PolarHBondContact O-N 3.38Å; S311-V313 WeakPolarHBondContact OG-CG2 3.34Å; V313-R315 VanDerWaalsContact C-N 3.32Å; V313-R315 PolarHBondContact O-N 3.04Å; V313-F337 HydrophobicContact CB-CD1 4.41Å; V313-F337 HydrophobicContact CG1-CD1 4.38Å; V313-F337 HydrophobicContact CG2-CD1 3.83Å; V313-F337 HydrophobicContact CG2-CE1 4.38Å; V313-N343 HydrophobicContact CG1-CB 4.02Å; V313-N343 VanDerWaalsContact CG1-O 3.26Å; V313-N343 WeakPolarHBondContact CG1-O 3.36Å; V313-I344 HydrophobicContact CG1-CG1 4.14Å; V313-A347 HydrophobicContact CG1-CB 3.74Å
314V92Very high84.1Confident76 Ų7671.4 Ų71.446%0.46137%0.369SS..SBendtrans-66.1-36.4-175.4179.60000111.5L232 F281 V338L232-V314 HydrophobicContact CD1-CG1 4.29Å; L232-V314 HydrophobicContact CD2-CG1 4.25Å; F281-V314 HydrophobicContact CE1-CG2 4.04Å; V314-V338 WeakPolarHBondContact CB-O 3.43Å; V314-V338 PolarHBondContact N-O 3.44Å
315R91.3Very high82.4Confident79 Ų7978.3 Ų78.330%0.29840%0.399SS..EExtended strand (participates in β ladder)trans-165.5156.5177.354.6179.7-177.972.60.8111.9E283 V313 R317 V338E283-R315 IonicContact OE2-NH2 3.71Å; E283-R315 PolarHBondContact OE2-NH2 2.86Å; V313-R315 VanDerWaalsContact C-N 3.32Å; V313-R315 PolarHBondContact O-N 3.04Å; R315-R317 VanDerWaalsContact NH1-CZ 3.33Å; R315-R317 VanDerWaalsContact NH1-NE 3.19Å; R315-V338 HydrophobicContact CG-CB 3.97Å; R315-V338 HydrophobicContact CG-CG2 4.44Å; R315-V338 PolarHBondContact N-O 3.14Å; R315-V338 VanDerWaalsContact NH1-CG2 3.34Å; R315-V338 PolarHBondContact O-N 3.1Å
316V93.3Very high80.6Confident41 Ų4175.7 Ų75.725%0.24839%0.387CS..EExtended strand (participates in β ladder)trans-114.5142.7165.465.40000110.2I304 V308 F335 V336 F337I304-V316 HydrophobicContact CD1-CG2 4.49Å; I304-V316 HydrophobicContact CG1-CG1 3.99Å; V308-V316 HydrophobicContact CG2-CB 4.08Å; V308-V316 HydrophobicContact CG2-CG1 3.75Å; V316-F335 HydrophobicContact CG2-CB 4.48Å; V316-F335 HydrophobicContact CG2-CD2 4.24Å; V316-V336 CarbonylContact C-O 3.12Å; V316-V336 WeakPolarHBondContact CA-O 3.43Å; V316-F337 HydrophobicContact CB-CD1 3.83Å; V316-F337 HydrophobicContact CB-CE1 3.75Å; V316-F337 HydrophobicContact CB-CZ 4.4Å; V316-F337 HydrophobicContact CG2-CD1 3.8Å; V316-F337 HydrophobicContact CG2-CD2 4.3Å; V316-F337 HydrophobicContact CG2-CE1 3.54Å; V316-F337 HydrophobicContact CG2-CE2 4.05Å; V316-F337 HydrophobicContact CG2-CG 4.21Å; V316-F337 HydrophobicContact CG2-CZ 3.68Å
317R89.6Confident78.8Confident113 Ų11375.9 Ų75.943%0.42640%0.397SS..EExtended strand (participates in β ladder)trans-114.9150164.4-65.5-168.3-88.9-143.1-5.1108.8E283 R315 F335 V336E283-R317 IonicContact OE1-CZ 2.64Å; E283-R317 IonicContact OE1-NE 3Å; E283-R317 IonicContact OE1-NH2 2.68Å; E283-R317 PolarHBondContact OE1-NH2 3.27Å; E283-R317 IonicContact OE2-CZ 2.63Å; E283-R317 IonicContact OE2-NH2 3.28Å; E283-R317 PolarHBondContact OE2-NH2 2.8Å; R315-R317 VanDerWaalsContact NH1-CZ 3.33Å; R315-R317 VanDerWaalsContact NH1-NE 3.19Å; R317-F335 CarbonylContact O-C 3.53Å; R317-V336 HydrophobicContact CB-CB 4.28Å; R317-V336 PolarHBondContact N-O 3.44Å; R317-V336 PolarHBondContact O-N 2.71Å
318I88Confident77.1Confident66 Ų6679.4 Ų79.434%0.33841%0.41SS..EExtended strand (participates in β ladder)trans-123110.1173.1-53.9174.9000105.7I297 G320 V333 F335I297-I318 HydrophobicContact CD1-CD1 3.69Å; I297-I318 HydrophobicContact CG1-CD1 3.69Å; I318-G320 PolarHBondContact O-N 2.81Å; I318-V333 HydrophobicContact CG2-CG1 3.9Å; I318-F335 HydrophobicContact CD1-CD2 4.03Å; I318-F335 HydrophobicContact CD1-CE1 4.49Å; I318-F335 HydrophobicContact CD1-CE2 3.45Å; I318-F335 VanDerWaalsContact CD1-CE2 3.45Å; I318-F335 HydrophobicContact CD1-CZ 3.73Å; I318-F335 HydrophobicContact CG1-CD2 3.82Å; I318-F335 HydrophobicContact CG1-CE1 4.49Å; I318-F335 HydrophobicContact CG1-CE2 3.78Å; I318-F335 HydrophobicContact CG1-CG 4.23Å; I318-F335 HydrophobicContact CG1-CZ 4.13Å; I318-F335 HydrophobicContact CG2-CD1 4.28Å; I318-F335 HydrophobicContact CG2-CE1 4.01Å; I318-F335 HydrophobicContact CG2-CZ 4.25Å
319E77.9Confident75.4Confident31 Ų3184.8 Ų84.815%0.14543%0.434CS..  trans-77121.4179.8-62.2-162.9145.200110D323 P334 V336E319-D323 HydrophobicContact CB-CB 4.38Å; E319-P334 HydrophobicContact CB-CG 4.11Å; E319-P334 PolarHBondContact N-O 2.86Å; E319-V336 HydrophobicContact CG-CG2 4.21Å
320G65.1Low73.9Confident44 Ų4489.3 Ų89.345%0.45445%0.452SS..  trans-75.7178.8172.700000112.5I318 N322 D323 R328I318-G320 PolarHBondContact O-N 2.81Å; G320-N322 PolarHBondContact O-N 2.97Å; G320-D323 PolarHBondContact O-N 2.86Å; G320-R328 PolarHBondContact O-NH2 2.93Å
321D59.3Low72.9Confident93 Ų9385.1 Ų85.150%0.49745%0.446SS..THydrogen-bonded Turntrans-51.9-26.1-177-82.4-36.3000114.9R290 R328R290-D321 IonicContact CZ-OD1 2.62Å; R290-D321 IonicContact CZ-OD2 3.25Å; R290-D321 VanDerWaalsContact CZ-OD2 3.28Å; R290-D321 VanDerWaalsContact NH1-CG 3.26Å; R290-D321 IonicContact NH1-OD1 3.34Å; R290-D321 PolarHBondContact NH1-OD1 2.78Å; R290-D321 IonicContact NH1-OD2 2.72Å; R290-D321 PolarHBondContact NH1-OD2 3.44Å; R290-D321 IonicContact NH2-OD1 3.47Å; R290-D321 IonicContact NH2-OD2 2.91Å; R290-D321 PolarHBondContact NH2-OD2 2.82Å; D321-R328 PolarHBondContact O-NH1 3.23Å
322N53.7Low72.3Confident151 Ų15188 Ų8881%0.80746%0.459SS*.THydrogen-bonded Turntrans-76.4-24.8-171.3-68.7-29.7000115.9G320 K324G320-N322 PolarHBondContact O-N 2.97Å; N322-K324 PolarHBondContact O-N 2.72Å
323D58.5Low72Confident75 Ų7586.9 Ų86.940%0.40144%0.444SS..  trans-92.399.2-170.1-78.5-69.3000114E319 G320 K325 R328E319-D323 HydrophobicContact CB-CB 4.38Å; G320-D323 PolarHBondContact O-N 2.86Å; D323-K325 PolarHBondContact O-N 2.64Å; D323-R328 PolarHBondContact O-NH2 2.82Å
324K55.2Low71.8Confident199 Ų19986.8 Ų86.887%0.86544%0.443SS*.THydrogen-bonded Turntrans-78.637.7-173.7-58-174.2177.8-175.20115.2N322N322-K324 PolarHBondContact O-N 2.72Å
325K59Low71.8Confident159 Ų15983.1 Ų83.169%0.69142%0.421SS*.THydrogen-bonded Turntrans-93.6-20.8-170-74.3-179.6179.91690116D323D323-K325 PolarHBondContact O-N 2.64Å
326L56.9Low71.9Confident42 Ų4279.7 Ų79.722%0.2241%0.409CS..SBendtrans-123.1151.8-175.5-65.5172.9000111.2Y285 R328 P334Y285-L326 HydrophobicContact CD1-CD1 3.96Å; Y285-L326 HydrophobicContact CD1-CD2 3.91Å; Y285-L326 HydrophobicContact CD2-CD1 3.83Å; Y285-L326 HydrophobicContact CE1-CD1 4.41Å; Y285-L326 HydrophobicContact CE1-CD2 3.63Å; Y285-L326 HydrophobicContact CE2-CD1 4.27Å; Y285-L326 HydrophobicContact CE2-CD2 4.34Å; Y285-L326 HydrophobicContact CG-CD1 3.66Å; Y285-L326 HydrophobicContact CG-CD2 4.39Å; L326-R328 PolarHBondContact O-N 3.5Å; L326-P334 HydrophobicContact CD1-CB 3.97Å; L326-P334 HydrophobicContact CD1-CG 4.06Å
327P55.8Low72Confident102 Ų10277.8 Ų77.866%0.66240%0.397SS*.  trans-60.9124.1166.4-1730.9000109.3
328R59.3Low72.2Confident85 Ų8572.4 Ų72.432%0.32138%0.377SS..  trans-112.5129.3179.9-66.1178.9179.7-175-5.4109.9G320 D321 D323 L326G320-R328 PolarHBondContact O-NH2 2.93Å; D321-R328 PolarHBondContact O-NH1 3.23Å; D323-R328 PolarHBondContact O-NH2 2.82Å; L326-R328 PolarHBondContact O-N 3.5Å
329E58.5Low72.6Confident128 Ų12869.2 Ų69.260%0.59836%0.361SS*.  trans-76142.6158.2-61.6-169.7158.600109.2G331 M332E329-G331 PolarHBondContact O-N 2.85Å; E329-G331 VanDerWaalsContact O-N 3.09Å; E329-M332 HydrophobicContact CB-CB 4.41Å; E329-M332 HydrophobicContact CB-CG 3.94Å; E329-M332 PolarHBondContact O-N 2.84Å
330E61.7Low73.3Confident207 Ų20768.6 Ų68.697%0.96736%0.359SS*.THydrogen-bonded Turntrans-66.1113.1-175.7-66.1-164.714600111
331G74.6Confident74.6Confident43 Ų4370.9 Ų70.944%0.44336%0.356SS..THydrogen-bonded Turntrans102.9-0.7-176.500000115.1R290 E329R290-G331 WeakPolarHBondContact CB-O 3.19Å; R290-G331 PolarHBondContact N-O 3.43Å; E329-G331 PolarHBondContact O-N 2.85Å; E329-G331 VanDerWaalsContact O-N 3.09Å
332M82.5Confident76.2Confident63 Ų6371.9 Ų71.931%0.3136%0.358SS..EExtended strand (participates in β ladder)trans-96.9149172.5-65.2-58.7-173.100112.7Q287 P289 E329Q287-M332 HydrophobicContact CB-CB 4.11Å; Q287-M332 HydrophobicContact CB-CG 4.33Å; Q287-M332 HydrophobicContact CG-CB 4.5Å; P289-M332 HydrophobicContact CB-SD 4.28Å; P289-M332 HydrophobicContact CG-CE 4.28Å; P289-M332 HydrophobicContact CG-SD 3.9Å; E329-M332 HydrophobicContact CB-CB 4.41Å; E329-M332 HydrophobicContact CB-CG 3.94Å; E329-M332 PolarHBondContact O-N 2.84Å
333V86Confident78.2Confident20 Ų2066.8 Ų66.812%0.12133%0.331CS..EExtended strand (participates in β ladder)trans-127.9121.6177.8177.40000109.2V288 R290 V293 I318V288-V333 PolarHBondContact N-O 3.48Å; V288-V333 PolarHBondContact O-N 2.82Å; R290-V333 HydrophobicContact CB-CG2 4.14Å; R290-V333 HydrophobicContact CG-CG2 4.29Å; V293-V333 HydrophobicContact CG2-CB 3.79Å; V293-V333 HydrophobicContact CG2-CG1 4.25Å; V293-V333 HydrophobicContact CG2-CG2 3.92Å; I318-V333 HydrophobicContact CG2-CG1 3.9Å
334P89.8Confident80Confident5 Ų563.2 Ų63.23%0.03231%0.312CS..EExtended strand (participates in β ladder)trans-80.6125.3-178.230.3-31.3000112.1Y285 F286 E319 L326 V336Y285-P334 HydrophobicContact CD2-CB 4.43Å; F286-P334 WeakPolarHBondContact O-CA 3.42Å; E319-P334 HydrophobicContact CB-CG 4.11Å; E319-P334 PolarHBondContact N-O 2.86Å; L326-P334 HydrophobicContact CD1-CB 3.97Å; L326-P334 HydrophobicContact CD1-CG 4.06Å; P334-V336 HydrophobicContact CB-CG2 4.46Å
335F92.7Very high81.9Confident0 Ų056.9 Ų56.90%029%0.293CS..EExtended strand (participates in β ladder)trans-93.4116.8166.1-79.159.7000107.8Y285 F286 V288 V293 V296 I297 I304 V316 R317 I318 F337 L351Y285-F335 WeakPolarHBondContact CA-O 3.31Å; F286-F335 PolarHBondContact N-O 2.95Å; F286-F335 PolarHBondContact O-N 2.85Å; V288-F335 HydrophobicContact CB-CD1 3.8Å; V288-F335 HydrophobicContact CB-CE1 3.7Å; V288-F335 HydrophobicContact CG1-CE1 4.08Å; V288-F335 HydrophobicContact CG2-CD1 3.43Å; V288-F335 VanDerWaalsContact CG2-CD1 3.43Å; V288-F335 HydrophobicContact CG2-CE1 3.7Å; V288-F335 HydrophobicContact CG2-CG 4.04Å; V288-F335 HydrophobicContact CG2-CZ 4.47Å; V293-F335 HydrophobicContact CG1-CE1 4.13Å; V293-F335 HydrophobicContact CG1-CZ 4.11Å; V293-F335 HydrophobicContact CG2-CE1 4.16Å; V296-F335 HydrophobicContact CG1-CE2 4Å; V296-F335 HydrophobicContact CG1-CZ 3.97Å; I297-F335 HydrophobicContact CG1-CE2 4.26Å; I297-F335 HydrophobicContact CG1-CZ 4.01Å; I304-F335 HydrophobicContact CD1-CD2 3.83Å; I304-F335 HydrophobicContact CD1-CE2 3.87Å; I304-F335 HydrophobicContact CG1-CD2 4.36Å; I304-F335 HydrophobicContact CG1-CE2 4.11Å; V316-F335 HydrophobicContact CG2-CB 4.48Å; V316-F335 HydrophobicContact CG2-CD2 4.24Å; R317-F335 CarbonylContact O-C 3.53Å; I318-F335 HydrophobicContact CD1-CD2 4.03Å; I318-F335 HydrophobicContact CD1-CE1 4.49Å; I318-F335 HydrophobicContact CD1-CE2 3.45Å; I318-F335 VanDerWaalsContact CD1-CE2 3.45Å; I318-F335 HydrophobicContact CD1-CZ 3.73Å; I318-F335 HydrophobicContact CG1-CD2 3.82Å; I318-F335 HydrophobicContact CG1-CE1 4.49Å; I318-F335 HydrophobicContact CG1-CE2 3.78Å; I318-F335 HydrophobicContact CG1-CG 4.23Å; I318-F335 HydrophobicContact CG1-CZ 4.13Å; I318-F335 HydrophobicContact CG2-CD1 4.28Å; I318-F335 HydrophobicContact CG2-CE1 4.01Å; I318-F335 HydrophobicContact CG2-CZ 4.25Å; F335-F337 HydrophobicContact CB-CD2 4.43Å; F335-F337 HydrophobicContact CB-CE2 3.7Å; F335-F337 HydrophobicContact CB-CZ 4.36Å; F335-L351 HydrophobicContact CB-CD2 4.25Å
336V92.6Very high83.6Confident7 Ų752.6 Ų52.64%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-107.6112.5-170.4-169.10000109.6E283 D284 V316 R317 E319 P334E283-V336 HydrophobicContact CG-CG1 3.54Å; E283-V336 WeakPolarHBondContact OE1-CG1 3.49Å; D284-V336 CarbonylContact O-C 3.55Å; D284-V336 VanDerWaalsContact O-CA 3.3Å; D284-V336 WeakPolarHBondContact O-CA 3.4Å; D284-V336 WeakPolarHBondContact O-CG1 3.5Å; V316-V336 CarbonylContact C-O 3.12Å; V316-V336 WeakPolarHBondContact CA-O 3.43Å; R317-V336 HydrophobicContact CB-CB 4.28Å; R317-V336 PolarHBondContact N-O 3.44Å; R317-V336 PolarHBondContact O-N 2.71Å; E319-V336 HydrophobicContact CG-CG2 4.21Å; P334-V336 HydrophobicContact CB-CG2 4.46Å
337F94.9Very high85.5Confident0 Ų050.6 Ų50.60%027%0.267CS..EExtended strand (participates in β ladder)trans-103.3145.7-175.2-67.8-91.7000111.6E283 D284 F286 I304 V308 V313 V316 F335 I344 A347 L351E283-F337 WeakPolarHBondContact CA-O 3.31Å; D284-F337 PolarHBondContact N-O 2.98Å; D284-F337 PolarHBondContact O-N 3.44Å; F286-F337 AromaticContact CD2-CD2 3.56Å; F286-F337 HydrophobicContact CD2-CD2 3.56Å; F286-F337 AromaticContact CD2-CE2 3.76Å; F286-F337 HydrophobicContact CD2-CE2 3.76Å; F286-F337 AromaticContact CE2-CD2 3.86Å; F286-F337 HydrophobicContact CE2-CD2 3.86Å; F286-F337 HydrophobicContact CE2-CE2 4.4Å; I304-F337 HydrophobicContact CD1-CE1 4.35Å; I304-F337 HydrophobicContact CD1-CZ 4.01Å; V308-F337 HydrophobicContact CG2-CE1 4.39Å; V313-F337 HydrophobicContact CB-CD1 4.41Å; V313-F337 HydrophobicContact CG1-CD1 4.38Å; V313-F337 HydrophobicContact CG2-CD1 3.83Å; V313-F337 HydrophobicContact CG2-CE1 4.38Å; V316-F337 HydrophobicContact CB-CD1 3.83Å; V316-F337 HydrophobicContact CB-CE1 3.75Å; V316-F337 HydrophobicContact CB-CZ 4.4Å; V316-F337 HydrophobicContact CG2-CD1 3.8Å; V316-F337 HydrophobicContact CG2-CD2 4.3Å; V316-F337 HydrophobicContact CG2-CE1 3.54Å; V316-F337 HydrophobicContact CG2-CE2 4.05Å; V316-F337 HydrophobicContact CG2-CG 4.21Å; V316-F337 HydrophobicContact CG2-CZ 3.68Å; F335-F337 HydrophobicContact CB-CD2 4.43Å; F335-F337 HydrophobicContact CB-CE2 3.7Å; F335-F337 HydrophobicContact CB-CZ 4.36Å; F337-I344 HydrophobicContact CB-CG1 4.21Å; F337-A347 HydrophobicContact CD1-CB 3.87Å; F337-A347 HydrophobicContact CE1-CB 3.96Å; F337-A347 HydrophobicContact CG-CB 4.23Å; F337-A347 HydrophobicContact CZ-CB 4.44Å; F337-L351 HydrophobicContact CE2-CD2 3.77Å; F337-L351 HydrophobicContact CZ-CD2 4.09Å
338V94.8Very high87.3Confident0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-131.5131.2-179.9178.80000110.4L229 L232 E283 V314 R315L229-V338 HydrophobicContact CD2-CG1 3.45Å; L229-V338 VanDerWaalsContact CD2-CG1 3.45Å; L232-V338 HydrophobicContact CD1-CG1 4.15Å; E283-V338 HydrophobicContact CB-CG2 3.86Å; E283-V338 HydrophobicContact CG-CG2 3.63Å; E283-V338 VanDerWaalsContact OE2-CG2 3.24Å; E283-V338 WeakPolarHBondContact OE2-CG2 3.27Å; V314-V338 WeakPolarHBondContact CB-O 3.43Å; V314-V338 PolarHBondContact N-O 3.44Å; R315-V338 HydrophobicContact CG-CB 3.97Å; R315-V338 HydrophobicContact CG-CG2 4.44Å; R315-V338 PolarHBondContact N-O 3.14Å; R315-V338 VanDerWaalsContact NH1-CG2 3.34Å; R315-V338 PolarHBondContact O-N 3.1Å
339G95.1Very high89Confident0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans165.5-166.8-176.800000111F281 K282F281-G339 WeakPolarHBondContact CA-O 3.38Å; F281-G339 VanDerWaalsContact CD1-C 3.47Å; K282-G339 PolarHBondContact N-O 2.81Å; K282-G339 PolarHBondContact O-N 3.37Å
340T94.1Very high90.8Very high17 Ų1744 Ų4410%0.10424%0.242CC..EExtended strand (participates in β ladder)trans-63.9155.8166.558.90000110.2E280 F281 E342 N343 I344E280-T340 WeakPolarHBondContact O-CA 3.34Å; F281-T340 HydrophobicContact CD2-CG2 4.06Å; F281-T340 HydrophobicContact CE1-CG2 4.17Å; F281-T340 HydrophobicContact CE2-CG2 3.63Å; F281-T340 HydrophobicContact CZ-CG2 3.69Å; T340-E342 VanDerWaalsContact C-N 3.28Å; T340-E342 PolarHBondContact O-N 3.07Å; T340-N343 PolarHBondContact O-N 3.31Å; T340-N343 WeakPolarHBondContact OG1-CB 3.43Å; T340-N343 PolarHBondContact OG1-N 3.02Å; T340-N343 PolarHBondContact OG1-OD1 3.02Å; T340-N343 VanDerWaalsContact OG1-OD1 3.12Å; T340-I344 WeakPolarHBondContact O-CG1 3.38Å; T340-I344 PolarHBondContact O-N 3.47Å
341K92.8Very high92.4Very high92 Ų9234.2 Ų34.240%0.420%0.196SC..Hα-helixtrans-54.6-39.4176.1174.7172.9170.8-176.80114E280 S345E280-K341 HydrophobicContact CG-CB 4.33Å; E280-K341 HydrophobicContact CG-CD 4.06Å; E280-K341 PolarHBondContact O-N 3.23Å; E280-K341 WeakPolarHBondContact OE1-CD 3.41Å; E280-K341 WeakPolarHBondContact OE1-CE 3.31Å; E280-K341 IonicContact OE1-NZ 3.1Å; E280-K341 PolarHBondContact OE1-NZ 3.3Å; E280-K341 WeakPolarHBondContact OE2-CD 3.25Å; E280-K341 IonicContact OE2-NZ 2.65Å; E280-K341 PolarHBondContact OE2-NZ 2.89Å; K341-S345 PolarHBondContact O-N 2.95Å
342E92.9Very high93.3Very high115 Ų11537.4 Ų37.454%0.53720%0.2SC..Hα-helixtrans-65.3-50.6175.5-172.3-176.2-17500111.3T340 I344 S345 N346T340-E342 VanDerWaalsContact C-N 3.28Å; T340-E342 PolarHBondContact O-N 3.07Å; E342-I344 VanDerWaalsContact C-N 3.25Å; E342-I344 PolarHBondContact O-N 3.26Å; E342-S345 CarbonylContact O-C 3.59Å; E342-S345 WeakPolarHBondContact O-CA 3.29Å; E342-S345 WeakPolarHBondContact O-CB 3.5Å; E342-S345 PolarHBondContact O-N 3.13Å; E342-N346 PolarHBondContact O-N 3.22Å; E342-N346 PolarHBondContact O-ND2 3.46Å
343N95Very high93.9Very high43 Ų4342.8 Ų42.823%0.2322%0.218CC..Hα-helixtrans-60.7-37.5-179.4-65.915.2000111.3S311 G312 V313 T340 N346 A347S311-N343 WeakPolarHBondContact O-CA 3.49Å; S311-N343 WeakPolarHBondContact O-CB 3.42Å; G312-N343 VanDerWaalsContact C-ND2 3.33Å; G312-N343 PolarHBondContact O-ND2 2.85Å; V313-N343 HydrophobicContact CG1-CB 4.02Å; V313-N343 VanDerWaalsContact CG1-O 3.26Å; V313-N343 WeakPolarHBondContact CG1-O 3.36Å; T340-N343 PolarHBondContact O-N 3.31Å; T340-N343 WeakPolarHBondContact OG1-CB 3.43Å; T340-N343 PolarHBondContact OG1-N 3.02Å; T340-N343 PolarHBondContact OG1-OD1 3.02Å; T340-N343 VanDerWaalsContact OG1-OD1 3.12Å; N343-N346 PolarHBondContact O-N 2.8Å; N343-A347 PolarHBondContact O-N 3.32Å
344I95.4Very high94.3Very high1 Ų143.6 Ų43.61%0.00522%0.22CC..Hα-helixtrans-65.7-40173.2-73.1169.5000111.9K282 D284 F286 V313 F337 T340 E342 N346 A347 Q348K282-I344 HydrophobicContact CD-CD1 4.48Å; K282-I344 HydrophobicContact CG-CD1 3.6Å; K282-I344 WeakPolarHBondContact O-CD1 3.44Å; D284-I344 HydrophobicContact CB-CD1 4.45Å; D284-I344 HydrophobicContact CB-CG2 3.75Å; F286-I344 HydrophobicContact CE2-CG2 4.07Å; F286-I344 HydrophobicContact CZ-CG2 3.81Å; V313-I344 HydrophobicContact CG1-CG1 4.14Å; F337-I344 HydrophobicContact CB-CG1 4.21Å; T340-I344 WeakPolarHBondContact O-CG1 3.38Å; T340-I344 PolarHBondContact O-N 3.47Å; E342-I344 VanDerWaalsContact C-N 3.25Å; E342-I344 PolarHBondContact O-N 3.26Å; I344-N346 VanDerWaalsContact C-N 3.31Å; I344-N346 PolarHBondContact O-N 2.89Å; I344-A347 PolarHBondContact O-N 3.49Å; I344-Q348 PolarHBondContact O-N 2.9Å
345S95.3Very high94.5Very high66 Ų6644.2 Ų44.246%0.46222%0.224SC..Hα-helixtrans-63.9-36.1173.5-166.90000112.2K341 E342 Q348 A349K341-S345 PolarHBondContact O-N 2.95Å; E342-S345 CarbonylContact O-C 3.59Å; E342-S345 WeakPolarHBondContact O-CA 3.29Å; E342-S345 WeakPolarHBondContact O-CB 3.5Å; E342-S345 PolarHBondContact O-N 3.13Å; S345-Q348 WeakPolarHBondContact O-CB 3.43Å; S345-Q348 PolarHBondContact O-N 2.92Å; S345-A349 PolarHBondContact O-N 3.41Å; S345-A349 VanDerWaalsContact O-N 3.1Å
346N95.5Very high94.5Very high68 Ų6846.9 Ų46.936%0.36424%0.243SC..Hα-helixtrans-68.9-39.7175-67.3-29.3000111.4E342 N343 I344 Q348 L350E342-N346 PolarHBondContact O-N 3.22Å; E342-N346 PolarHBondContact O-ND2 3.46Å; N343-N346 PolarHBondContact O-N 2.8Å; I344-N346 VanDerWaalsContact C-N 3.31Å; I344-N346 PolarHBondContact O-N 2.89Å; N346-Q348 VanDerWaalsContact C-N 3.35Å; N346-L350 WeakPolarHBondContact O-CB 3.35Å; N346-L350 VanDerWaalsContact O-CG 3.3Å; N346-L350 WeakPolarHBondContact O-CG 3.46Å; N346-L350 PolarHBondContact O-N 2.89Å; N346-L350 VanDerWaalsContact O-N 3.16Å
347A95.7Very high94.6Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-63.5-40173.200000112.1S311 V313 F337 N343 I344 L351S311-A347 VanDerWaalsContact CB-N 3.33Å; V313-A347 HydrophobicContact CG1-CB 3.74Å; F337-A347 HydrophobicContact CD1-CB 3.87Å; F337-A347 HydrophobicContact CE1-CB 3.96Å; F337-A347 HydrophobicContact CG-CB 4.23Å; F337-A347 HydrophobicContact CZ-CB 4.44Å; N343-A347 PolarHBondContact O-N 3.32Å; I344-A347 PolarHBondContact O-N 3.49Å; A347-L351 WeakPolarHBondContact O-CB 3.4Å; A347-L351 PolarHBondContact O-N 3.48Å
348Q94.6Very high94.5Very high64 Ų6452.9 Ų52.930%0.29927%0.266SS..Hα-helixtrans-57.9-56.2175-172.8177.8-11.500111.1F286 I344 S345 N346 L350 L351 E352F286-Q348 HydrophobicContact CD1-CB 4.45Å; F286-Q348 HydrophobicContact CD1-CG 3.87Å; F286-Q348 HydrophobicContact CD2-CB 4.27Å; F286-Q348 HydrophobicContact CD2-CG 4.45Å; F286-Q348 HydrophobicContact CE1-CB 3.91Å; F286-Q348 HydrophobicContact CE1-CG 3.58Å; F286-Q348 HydrophobicContact CE2-CB 3.7Å; F286-Q348 HydrophobicContact CE2-CG 4.19Å; F286-Q348 HydrophobicContact CG-CG 4.33Å; F286-Q348 HydrophobicContact CZ-CB 3.52Å; F286-Q348 HydrophobicContact CZ-CG 3.77Å; I344-Q348 PolarHBondContact O-N 2.9Å; S345-Q348 WeakPolarHBondContact O-CB 3.43Å; S345-Q348 PolarHBondContact O-N 2.92Å; N346-Q348 VanDerWaalsContact C-N 3.35Å; Q348-L350 VanDerWaalsContact C-N 3.32Å; Q348-L350 PolarHBondContact O-N 3.12Å; Q348-L351 PolarHBondContact O-N 3.47Å; Q348-L351 VanDerWaalsContact O-N 3.11Å; Q348-E352 HydrophobicContact CG-CG 4.24Å; Q348-E352 VanDerWaalsContact CG-OE1 3.25Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.39Å; Q348-E352 PolarHBondContact NE2-OE1 3.47Å; Q348-E352 WeakPolarHBondContact O-CB 3.4Å; Q348-E352 WeakPolarHBondContact O-CG 3.21Å; Q348-E352 PolarHBondContact O-N 3.38Å
349A95.6Very high94.3Very high57 Ų5757.4 Ų57.447%0.47129%0.288SS..Hα-helixtrans-59.8-40.9-177.400000112.7S345 Y353S345-A349 PolarHBondContact O-N 3.41Å; S345-A349 VanDerWaalsContact O-N 3.1Å; A349-Y353 VanDerWaalsContact O-CB 3.26Å; A349-Y353 WeakPolarHBondContact O-CB 3.38Å; A349-Y353 PolarHBondContact O-N 3.37Å; A349-Y353 VanDerWaalsContact O-N 3.09Å
350L95.5Very high94.2Very high55 Ų5563 Ų6329%0.28831%0.313SS..Hα-helixtrans-66.2-39.7175.7-71.1171.6000112.5I307 K310 N346 Q348 H354I307-L350 HydrophobicContact CG1-CB 4.37Å; I307-L350 HydrophobicContact CG2-CB 4.04Å; K310-L350 HydrophobicContact CB-CD1 3.63Å; N346-L350 WeakPolarHBondContact O-CB 3.35Å; N346-L350 VanDerWaalsContact O-CG 3.3Å; N346-L350 WeakPolarHBondContact O-CG 3.46Å; N346-L350 PolarHBondContact O-N 2.89Å; N346-L350 VanDerWaalsContact O-N 3.16Å; Q348-L350 VanDerWaalsContact C-N 3.32Å; Q348-L350 PolarHBondContact O-N 3.12Å; L350-H354 WeakPolarHBondContact O-CB 3.47Å; L350-H354 PolarHBondContact O-N 3.31Å; L350-H354 VanDerWaalsContact O-N 3.1Å
351L94.7Very high94Very high3 Ų365 Ų652%0.01633%0.325CS..Hα-helixtrans-71-46.1179.117960.7000111.9F286 V288 V296 I307 F335 F337 A347 Q348 H354 V355F286-L351 HydrophobicContact CB-CD2 3.88Å; F286-L351 HydrophobicContact CD2-CD2 4.33Å; V288-L351 HydrophobicContact CG2-CD1 4.15Å; V288-L351 HydrophobicContact CG2-CD2 4.04Å; V288-L351 HydrophobicContact CG2-CG 4.36Å; V296-L351 HydrophobicContact CG1-CD1 3.5Å; I307-L351 HydrophobicContact CD1-CD1 4.29Å; F335-L351 HydrophobicContact CB-CD2 4.25Å; F337-L351 HydrophobicContact CE2-CD2 3.77Å; F337-L351 HydrophobicContact CZ-CD2 4.09Å; A347-L351 WeakPolarHBondContact O-CB 3.4Å; A347-L351 PolarHBondContact O-N 3.48Å; Q348-L351 PolarHBondContact O-N 3.47Å; Q348-L351 VanDerWaalsContact O-N 3.11Å; L351-H354 PolarHBondContact O-N 2.91Å; L351-V355 HydrophobicContact CD1-CG2 4.18Å; L351-V355 HydrophobicContact CG-CG2 4.5Å; L351-V355 WeakPolarHBondContact O-CG2 3.44Å; L351-V355 PolarHBondContact O-N 3.26Å
352E94.1Very high93.8Very high109 Ų10963.2 Ų63.251%0.50932%0.319SS..Hα-helixtrans-60.7-46.1177.7-73.6177.117900111.3Q348 H354 V355 S356Q348-E352 HydrophobicContact CG-CG 4.24Å; Q348-E352 VanDerWaalsContact CG-OE1 3.25Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.39Å; Q348-E352 PolarHBondContact NE2-OE1 3.47Å; Q348-E352 WeakPolarHBondContact O-CB 3.4Å; Q348-E352 WeakPolarHBondContact O-CG 3.21Å; Q348-E352 PolarHBondContact O-N 3.38Å; E352-H354 VanDerWaalsContact C-N 3.3Å; E352-H354 PolarHBondContact O-N 3.34Å; E352-V355 PolarHBondContact O-N 2.79Å; E352-S356 PolarHBondContact O-N 3.26Å; E352-S356 PolarHBondContact O-OG 3.37Å
353Y95.4Very high93.7Very high176 Ų17663.1 Ų63.169%0.6932%0.318SS*.Hα-helixtrans-61.2-37.7174.6-177.6-100.2000112.5A349 S356 Y357A349-Y353 VanDerWaalsContact O-CB 3.26Å; A349-Y353 WeakPolarHBondContact O-CB 3.38Å; A349-Y353 PolarHBondContact O-N 3.37Å; A349-Y353 VanDerWaalsContact O-N 3.09Å; Y353-S356 PolarHBondContact O-OG 2.99Å; Y353-S356 VanDerWaalsContact O-OG 3.09Å; Y353-Y357 WeakPolarHBondContact O-CB 3.3Å; Y353-Y357 PolarHBondContact O-N 3.04Å
354H93.8Very high93.5Very high38 Ų3865.5 Ų65.518%0.17633%0.331CS..Hα-helixtrans-72.7-36.7176.6-169.858.9000112.8I307 L350 L351 E352 L358I307-H354 HydrophobicContact CD1-CB 4.44Å; L350-H354 WeakPolarHBondContact O-CB 3.47Å; L350-H354 PolarHBondContact O-N 3.31Å; L350-H354 VanDerWaalsContact O-N 3.1Å; L351-H354 PolarHBondContact O-N 2.91Å; E352-H354 VanDerWaalsContact C-N 3.3Å; E352-H354 PolarHBondContact O-N 3.34Å; H354-L358 VanDerWaalsContact NE2-CD1 3.3Å; H354-L358 WeakPolarHBondContact NE2-CD1 3.28Å; H354-L358 WeakPolarHBondContact O-CB 3.29Å; H354-L358 VanDerWaalsContact O-CG 3.25Å; H354-L358 WeakPolarHBondContact O-CG 3.48Å; H354-L358 PolarHBondContact O-N 3.49Å
355V93.6Very high93.2Very high18 Ų1872.8 Ų72.811%0.10936%0.358CS..Hα-helixtrans-66.5-44176.9169.30000111.2V288 L292 V296 L351 E352 L358 Q359V288-V355 HydrophobicContact CG1-CG2 4.18Å; V288-V355 HydrophobicContact CG2-CG2 4.37Å; L292-V355 HydrophobicContact CD1-CG1 4.17Å; V296-V355 HydrophobicContact CG2-CG2 3.91Å; L351-V355 HydrophobicContact CD1-CG2 4.18Å; L351-V355 HydrophobicContact CG-CG2 4.5Å; L351-V355 WeakPolarHBondContact O-CG2 3.44Å; L351-V355 PolarHBondContact O-N 3.26Å; E352-V355 PolarHBondContact O-N 2.79Å; V355-L358 PolarHBondContact O-N 2.84Å; V355-Q359 WeakPolarHBondContact O-CG 3.29Å; V355-Q359 PolarHBondContact O-N 3.3Å
356S93.4Very high92.9Very high56 Ų5674 Ų7439%0.39236%0.359SS..Hα-helixtrans-65.4-43.7177.9600000112.1E352 Y353 L358 Q359 E360E352-S356 PolarHBondContact O-N 3.26Å; E352-S356 PolarHBondContact O-OG 3.37Å; Y353-S356 PolarHBondContact O-OG 2.99Å; Y353-S356 VanDerWaalsContact O-OG 3.09Å; S356-L358 VanDerWaalsContact C-N 3.29Å; S356-L358 PolarHBondContact O-N 2.83Å; S356-Q359 WeakPolarHBondContact O-CB 3.47Å; S356-Q359 PolarHBondContact O-N 2.75Å; S356-E360 PolarHBondContact O-N 2.84Å
357Y93.9Very high92.7Very high117 Ų11774.5 Ų74.546%0.45936%0.359SS..Hα-helixtrans-55.3-42.5171.2170.9-105.5000112.6Y353 Q359 E360 V361Y353-Y357 WeakPolarHBondContact O-CB 3.3Å; Y353-Y357 PolarHBondContact O-N 3.04Å; Y357-Q359 VanDerWaalsContact C-N 3.31Å; Y357-Q359 PolarHBondContact O-N 2.76Å; Y357-E360 PolarHBondContact O-N 2.87Å; Y357-V361 HydrophobicContact CD2-CG2 4.19Å; Y357-V361 HydrophobicContact CE1-CG2 4.18Å; Y357-V361 HydrophobicContact CE2-CG2 3.7Å; Y357-V361 WeakPolarHBondContact O-CB 3.44Å; Y357-V361 VanDerWaalsContact O-CG2 3.32Å; Y357-V361 WeakPolarHBondContact O-CG2 3.41Å; Y357-V361 PolarHBondContact O-N 3.21Å
358L92.6Very high92.3Very high16 Ų1682.4 Ų82.48%0.08439%0.389CS..Hα-helixtrans-71-23.4177.6-73.5176.9000114.2L292 K295 V296 H354 V355 S356 E362L292-L358 HydrophobicContact CD2-CB 4.29Å; K295-L358 HydrophobicContact CB-CD1 3.62Å; K295-L358 HydrophobicContact CB-CD2 3.98Å; K295-L358 HydrophobicContact CB-CG 4.42Å; K295-L358 HydrophobicContact CD-CD1 4.47Å; K295-L358 HydrophobicContact CD-CD2 3.9Å; V296-L358 HydrophobicContact CB-CD1 4.44Å; V296-L358 HydrophobicContact CG2-CD1 3.52Å; H354-L358 VanDerWaalsContact NE2-CD1 3.3Å; H354-L358 WeakPolarHBondContact NE2-CD1 3.28Å; H354-L358 WeakPolarHBondContact O-CB 3.29Å; H354-L358 VanDerWaalsContact O-CG 3.25Å; H354-L358 WeakPolarHBondContact O-CG 3.48Å; H354-L358 PolarHBondContact O-N 3.49Å; V355-L358 PolarHBondContact O-N 2.84Å; S356-L358 VanDerWaalsContact C-N 3.29Å; S356-L358 PolarHBondContact O-N 2.83Å; L358-E362 PolarHBondContact O-N 2.86Å
359Q91.3Very high92.1Very high95 Ų9583.9 Ų83.944%0.44440%0.398SS..Hα-helixtrans-73.7-49.3171.2-71.1169.1-7.200110.4L292 V355 S356 Y357 V361 E362 Q363L292-Q359 HydrophobicContact CD1-CG 3.58Å; V355-Q359 WeakPolarHBondContact O-CG 3.29Å; V355-Q359 PolarHBondContact O-N 3.3Å; S356-Q359 WeakPolarHBondContact O-CB 3.47Å; S356-Q359 PolarHBondContact O-N 2.75Å; Y357-Q359 VanDerWaalsContact C-N 3.31Å; Y357-Q359 PolarHBondContact O-N 2.76Å; Q359-V361 PolarHBondContact O-N 3.02Å; Q359-E362 PolarHBondContact O-N 3.2Å; Q359-E362 VanDerWaalsContact O-N 3.09Å; Q359-Q363 PolarHBondContact O-N 3.38Å
360E92.3Very high91.7Very high116 Ų11686.9 Ų86.954%0.54240%0.402SS..Hα-helixtrans-56.5-46.5176.6-175.2-178.8-163.200111.7S356 Y357 E362 Q363 L364S356-E360 PolarHBondContact O-N 2.84Å; Y357-E360 PolarHBondContact O-N 2.87Å; E360-E362 VanDerWaalsContact C-N 3.3Å; E360-E362 PolarHBondContact O-N 2.53Å; E360-Q363 PolarHBondContact O-N 2.77Å; E360-L364 HydrophobicContact CG-CD1 4.23Å; E360-L364 WeakPolarHBondContact O-CG 3.42Å; E360-L364 PolarHBondContact O-N 2.87Å
361V91.4Very high91.3Very high59 Ų5988.6 Ų88.636%0.35841%0.411SS..Hα-helixtrans-64-31.7176.9170.20000112.8Y357 Q359 R365Y357-V361 HydrophobicContact CD2-CG2 4.19Å; Y357-V361 HydrophobicContact CE1-CG2 4.18Å; Y357-V361 HydrophobicContact CE2-CG2 3.7Å; Y357-V361 WeakPolarHBondContact O-CB 3.44Å; Y357-V361 VanDerWaalsContact O-CG2 3.32Å; Y357-V361 WeakPolarHBondContact O-CG2 3.41Å; Y357-V361 PolarHBondContact O-N 3.21Å; Q359-V361 PolarHBondContact O-N 3.02Å; V361-R365 WeakPolarHBondContact O-CB 3.27Å; V361-R365 PolarHBondContact O-N 3.34Å
362E88.3Confident90.8Very high55 Ų5591.8 Ų91.826%0.25743%0.428SS..Hα-helixtrans-78.3-34.3174.5-163.365.6-157.800111.9K295 L358 Q359 E360 R365 L366K295-E362 IonicContact NZ-OE2 2.75Å; K295-E362 PolarHBondContact NZ-OE2 2.95Å; L358-E362 PolarHBondContact O-N 2.86Å; Q359-E362 PolarHBondContact O-N 3.2Å; Q359-E362 VanDerWaalsContact O-N 3.09Å; E360-E362 VanDerWaalsContact C-N 3.3Å; E360-E362 PolarHBondContact O-N 2.53Å; E362-R365 WeakPolarHBondContact O-CB 3.3Å; E362-R365 PolarHBondContact O-N 2.8Å; E362-L366 WeakPolarHBondContact O-CG 3.27Å; E362-L366 PolarHBondContact O-N 2.7Å
363Q90.4Very high90.4Very high113 Ų11389.6 Ų89.653%0.52842%0.418SS..Hα-helixtrans-61.6-52.2172.5178.1178.4-24.500111Q359 E360 R365 L366 E367Q359-Q363 PolarHBondContact O-N 3.38Å; E360-Q363 PolarHBondContact O-N 2.77Å; Q363-R365 PolarHBondContact O-N 3.35Å; Q363-L366 WeakPolarHBondContact O-CA 3.4Å; Q363-L366 WeakPolarHBondContact O-CB 3.42Å; Q363-L366 PolarHBondContact O-N 3.27Å; Q363-E367 HydrophobicContact CG-CG 4.41Å; Q363-E367 VanDerWaalsContact CG-OE1 3.32Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.45Å; Q363-E367 PolarHBondContact NE2-OE1 3.4Å; Q363-E367 WeakPolarHBondContact O-CG 3.49Å; Q363-E367 PolarHBondContact O-N 2.92Å
364L91.6Very high89.9Confident94 Ų9486.4 Ų86.449%0.49241%0.409SS..Hα-helixtrans-58.3-32.2176.8-69.2170000112.2E360 R368E360-L364 HydrophobicContact CG-CD1 4.23Å; E360-L364 WeakPolarHBondContact O-CG 3.42Å; E360-L364 PolarHBondContact O-N 2.87Å; L364-R368 WeakPolarHBondContact O-CB 3.37Å; L364-R368 PolarHBondContact O-N 3.05Å
365R88.7Confident89.2Confident154 Ų15489.6 Ų89.658%0.58143%0.427SS*.Hα-helixtrans-68.8-40.8173-179.9-177179.5150.63.3112.4V361 E362 Q363 L369V361-R365 WeakPolarHBondContact O-CB 3.27Å; V361-R365 PolarHBondContact O-N 3.34Å; E362-R365 WeakPolarHBondContact O-CB 3.3Å; E362-R365 PolarHBondContact O-N 2.8Å; Q363-R365 PolarHBondContact O-N 3.35Å; R365-L369 HydrophobicContact CG-CD1 4.37Å; R365-L369 WeakPolarHBondContact O-CG 3.31Å; R365-L369 PolarHBondContact O-N 3.33Å
366L89.1Confident88.6Confident92 Ų9297 Ų9748%0.48245%0.453SS..Hα-helixtrans-69-42.8176.9-72.3167.3000111.5E362 Q363 L369 Q370E362-L366 WeakPolarHBondContact O-CG 3.27Å; E362-L366 PolarHBondContact O-N 2.7Å; Q363-L366 WeakPolarHBondContact O-CA 3.4Å; Q363-L366 WeakPolarHBondContact O-CB 3.42Å; Q363-L366 PolarHBondContact O-N 3.27Å; L366-L369 PolarHBondContact O-N 2.95Å; L366-L369 VanDerWaalsContact O-N 3.14Å; L366-Q370 WeakPolarHBondContact O-CG 3.35Å; L366-Q370 PolarHBondContact O-N 3.37Å
367E90.4Very high87.7Confident78 Ų78101 Ų10136%0.36447%0.465SS..Hα-helixtrans-58.9-47174.2-71.5173.1-171.600111Q363 L369 Q370 I371Q363-E367 HydrophobicContact CG-CG 4.41Å; Q363-E367 VanDerWaalsContact CG-OE1 3.32Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.45Å; Q363-E367 PolarHBondContact NE2-OE1 3.4Å; Q363-E367 WeakPolarHBondContact O-CG 3.49Å; Q363-E367 PolarHBondContact O-N 2.92Å; E367-L369 VanDerWaalsContact C-N 3.33Å; E367-L369 PolarHBondContact O-N 2.9Å; E367-Q370 PolarHBondContact O-N 2.95Å; E367-I371 WeakPolarHBondContact O-CG1 3.27Å; E367-I371 PolarHBondContact O-N 2.84Å
368R88.4Confident86.8Confident166 Ų166101.6 Ų101.663%0.62648%0.475SS*.Hα-helixtrans-56.2-45.9172.1178.4-175.3163.3163.74.5112.1L364 Q370 I371 D372L364-R368 WeakPolarHBondContact O-CB 3.37Å; L364-R368 PolarHBondContact O-N 3.05Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 3.2Å; R368-I371 PolarHBondContact O-N 2.68Å; R368-I371 VanDerWaalsContact O-N 3.16Å; R368-D372 IonicContact CZ-OD2 3.69Å; R368-D372 IonicContact NE-OD2 3.51Å; R368-D372 PolarHBondContact NE-OD2 2.92Å; R368-D372 IonicContact NH2-OD2 2.78Å; R368-D372 PolarHBondContact NH2-OD2 3.06Å; R368-D372 WeakPolarHBondContact O-CB 3.42Å; R368-D372 PolarHBondContact O-N 2.69Å
369L90.2Very high85.4Confident94 Ų94103.6 Ų103.649%0.49250%0.5SS..Hα-helixtrans-64.5-33.2-179.8-76.6167.1000112.4R365 L366 E367 E373R365-L369 HydrophobicContact CG-CD1 4.37Å; R365-L369 WeakPolarHBondContact O-CG 3.31Å; R365-L369 PolarHBondContact O-N 3.33Å; L366-L369 PolarHBondContact O-N 2.95Å; L366-L369 VanDerWaalsContact O-N 3.14Å; E367-L369 VanDerWaalsContact C-N 3.33Å; E367-L369 PolarHBondContact O-N 2.9Å; L369-E373 VanDerWaalsContact O-CB 3.27Å; L369-E373 WeakPolarHBondContact O-CB 3.24Å; L369-E373 PolarHBondContact O-N 2.84Å
370Q87.5Confident83.7Confident120 Ų120105.6 Ų105.656%0.56152%0.518SS*.Hα-helixtrans-67.3-40172-68.3175.724.500111.7L366 E367 R368 E373 Q374L366-Q370 WeakPolarHBondContact O-CG 3.35Å; L366-Q370 PolarHBondContact O-N 3.37Å; E367-Q370 PolarHBondContact O-N 2.95Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 3.2Å; Q370-E373 PolarHBondContact O-N 2.9Å; Q370-Q374 WeakPolarHBondContact O-CB 3.45Å; Q370-Q374 VanDerWaalsContact O-CG 3.26Å; Q370-Q374 WeakPolarHBondContact O-CG 3.25Å; Q370-Q374 PolarHBondContact O-N 2.95Å
371I86.1Confident81.4Confident92 Ų92103.4 Ų103.447%0.47253%0.527SS..Hα-helixtrans-65.3-47.9174.7-65.1163.6000110.9E367 R368 E373 Q374 L375E367-I371 WeakPolarHBondContact O-CG1 3.27Å; E367-I371 PolarHBondContact O-N 2.84Å; R368-I371 PolarHBondContact O-N 2.68Å; R368-I371 VanDerWaalsContact O-N 3.16Å; I371-E373 VanDerWaalsContact C-N 3.27Å; I371-E373 PolarHBondContact O-N 2.97Å; I371-Q374 PolarHBondContact O-N 2.65Å; I371-L375 HydrophobicContact CG2-CD1 4.05Å; I371-L375 HydrophobicContact CG2-CG 4.44Å; I371-L375 WeakPolarHBondContact O-CB 3.21Å; I371-L375 VanDerWaalsContact O-CG 3.3Å; I371-L375 WeakPolarHBondContact O-CG 3.4Å; I371-L375 PolarHBondContact O-N 2.78Å
372D83.9Confident79.2Confident69 Ų69112 Ų11237%0.36956%0.555SS.*Hα-helixtrans-61-35.1177.9-76.6-28.6000111.3R368 R376R368-D372 IonicContact CZ-OD2 3.69Å; R368-D372 IonicContact NE-OD2 3.51Å; R368-D372 PolarHBondContact NE-OD2 2.92Å; R368-D372 IonicContact NH2-OD2 2.78Å; R368-D372 PolarHBondContact NH2-OD2 3.06Å; R368-D372 WeakPolarHBondContact O-CB 3.42Å; R368-D372 PolarHBondContact O-N 2.69Å; D372-R376 PolarHBondContact O-N 3.37Å
373E87Confident77Confident64 Ų64121.1 Ų121.130%0.29959%0.587SS.*Hα-helixtrans-71.3-44.9173.2177.764-136.300112.6L369 Q370 I371 L375 R376 Q377L369-E373 VanDerWaalsContact O-CB 3.27Å; L369-E373 WeakPolarHBondContact O-CB 3.24Å; L369-E373 PolarHBondContact O-N 2.84Å; Q370-E373 PolarHBondContact O-N 2.9Å; I371-E373 VanDerWaalsContact C-N 3.27Å; I371-E373 PolarHBondContact O-N 2.97Å; E373-L375 VanDerWaalsContact C-N 3.34Å; E373-L375 PolarHBondContact O-N 2.74Å; E373-R376 WeakPolarHBondContact O-CB 3.5Å; E373-R376 PolarHBondContact O-N 3.49Å; E373-R376 VanDerWaalsContact O-N 3.11Å; E373-R376 IonicContact OE1-CZ 2.96Å; E373-R376 IonicContact OE1-NH1 3.44Å; E373-R376 IonicContact OE1-NH2 3.81Å; E373-R376 PolarHBondContact OE1-NH2 2.94Å; E373-R376 IonicContact OE2-CZ 3.49Å; E373-R376 IonicContact OE2-NH1 3.08Å; E373-R376 PolarHBondContact OE2-NH1 2.93Å; E373-R376 IonicContact OE2-NH2 2.67Å; E373-R376 PolarHBondContact OE2-NH2 3.44Å; E373-Q377 WeakPolarHBondContact O-CG 3.39Å; E373-Q377 PolarHBondContact O-N 2.86Å; E373-Q377 PolarHBondContact OE1-NE2 2.82Å
374Q84.8Confident74.8Confident109 Ų109120.5 Ų120.551%0.50960%0.601SS.*Hα-helixtrans-59.9-42.9174.9-76.1172.34.500111.6Q370 I371 R376 Q377 I378Q370-Q374 WeakPolarHBondContact O-CB 3.45Å; Q370-Q374 VanDerWaalsContact O-CG 3.26Å; Q370-Q374 WeakPolarHBondContact O-CG 3.25Å; Q370-Q374 PolarHBondContact O-N 2.95Å; I371-Q374 PolarHBondContact O-N 2.65Å; Q374-R376 VanDerWaalsContact C-N 3.28Å; Q374-R376 PolarHBondContact O-N 3.2Å; Q374-Q377 PolarHBondContact O-N 2.85Å; Q374-Q377 VanDerWaalsContact O-N 3.11Å; Q374-I378 VanDerWaalsContact O-CG1 3.31Å; Q374-I378 WeakPolarHBondContact O-CG1 3.33Å; Q374-I378 PolarHBondContact O-N 2.79Å
375L78.5Confident72.2Confident105 Ų105120.5 Ų120.555%0.5562%0.615SS.*Hα-helixtrans-60.2-37.8174.1-71.6171.5000111.8I371 E373 I378I371-L375 HydrophobicContact CG2-CD1 4.05Å; I371-L375 HydrophobicContact CG2-CG 4.44Å; I371-L375 WeakPolarHBondContact O-CB 3.21Å; I371-L375 VanDerWaalsContact O-CG 3.3Å; I371-L375 WeakPolarHBondContact O-CG 3.4Å; I371-L375 PolarHBondContact O-N 2.78Å; E373-L375 VanDerWaalsContact C-N 3.34Å; E373-L375 PolarHBondContact O-N 2.74Å; L375-I378 PolarHBondContact O-N 2.98Å
376R80.4Confident70.5Confident174 Ų174119.3 Ų119.366%0.65763%0.627SS**Hα-helixtrans-67.2-35.2174.3-159.4-179.976-118-6.4112.5D372 E373 Q374D372-R376 PolarHBondContact O-N 3.37Å; E373-R376 WeakPolarHBondContact O-CB 3.5Å; E373-R376 PolarHBondContact O-N 3.49Å; E373-R376 VanDerWaalsContact O-N 3.11Å; E373-R376 IonicContact OE1-CZ 2.96Å; E373-R376 IonicContact OE1-NH1 3.44Å; E373-R376 IonicContact OE1-NH2 3.81Å; E373-R376 PolarHBondContact OE1-NH2 2.94Å; E373-R376 IonicContact OE2-CZ 3.49Å; E373-R376 IonicContact OE2-NH1 3.08Å; E373-R376 PolarHBondContact OE2-NH1 2.93Å; E373-R376 IonicContact OE2-NH2 2.67Å; E373-R376 PolarHBondContact OE2-NH2 3.44Å; Q374-R376 VanDerWaalsContact C-N 3.28Å; Q374-R376 PolarHBondContact O-N 3.2Å
377Q76Confident68.6Low139 Ų139120.6 Ų120.665%0.6564%0.644SS**Hα-helixtrans-74.6-28.6177.8-67.8176.317.600113.2E373 Q374 G379E373-Q377 WeakPolarHBondContact O-CG 3.39Å; E373-Q377 PolarHBondContact O-N 2.86Å; E373-Q377 PolarHBondContact OE1-NE2 2.82Å; Q374-Q377 PolarHBondContact O-N 2.85Å; Q374-Q377 VanDerWaalsContact O-N 3.11Å; Q377-G379 VanDerWaalsContact C-N 3.29Å; Q377-G379 PolarHBondContact O-N 3.24Å
378I75.1Confident66.3Low129 Ų129128.5 Ų128.566%0.66267%0.67SS**Hα-helixtrans-76.9-13177.7-68.1165.2000112.6Q374 L375 V380Q374-I378 VanDerWaalsContact O-CG1 3.31Å; Q374-I378 WeakPolarHBondContact O-CG1 3.33Å; Q374-I378 PolarHBondContact O-N 2.79Å; L375-I378 PolarHBondContact O-N 2.98Å; I378-V380 PolarHBondContact O-N 2.9Å
379G61.3Low64.5Low59 Ų59125.9 Ų125.961%0.60867%0.674SS**THydrogen-bonded Turntrans81.315.2158.100000117.3Q377 G381Q377-G379 VanDerWaalsContact C-N 3.29Å; Q377-G379 PolarHBondContact O-N 3.24Å; G379-G381 PolarHBondContact O-N 3.09Å
380V56.1Low62Low136 Ų136126.4 Ų126.482%0.82469%0.692SS**  trans-77.489.4172.7-173.70000109.3I378I378-V380 PolarHBondContact O-N 2.9Å
381G44.1Very low59.4Low71 Ų71124.2 Ų124.273%0.73270%0.702SS**PPolyproline II helixtrans-78.4150.7-158.600000117.7G379G379-G381 PolarHBondContact O-N 3.09Å
382Y44.6Very low57.8Low240 Ų240126.1 Ų126.194%0.94172%0.721SS**PPolyproline II helixtrans-100.7135.8161.8-114.7-102000110.1
383R43.3Very low55.5Low246 Ų246128 Ų12893%0.92875%0.745SS**PPolyproline II helixtrans-81.1129.8179.9-72.1-175.4177-177.1-0.1111.7
384A44.3Very low52.9Low99 Ų99128.5 Ų128.582%0.81877%0.768SS**PPolyproline II helixtrans-79.2148.1161.400000111.2
385A37.4Very low51Low95 Ų95129.6 Ų129.679%0.78578%0.784SS**PPolyproline II helixtrans-84.7150.1171.300000111.2
386P52.9Low48.9Very low128 Ų128128.7 Ų128.783%0.83180%0.8SS**PPolyproline II helixtrans-92.9155.6-162.235.9-36.7000115.1
387S47.8Very low46.8Very low120 Ų120123.9 Ų123.984%0.83981%0.805SS**  trans-110.1132.4162-67.90000110.5
388R43.3Very low45Very low244 Ų244123.1 Ų123.192%0.92181%0.805SS**  trans-161.4164165.4-106.5-169.4-177.8-119.9-4.6110.3
389P51Low43.3Very low110 Ų110127 Ų12771%0.71481%0.811SS**  -139.3-177.7-121.242.4-23.7000117.4
390A37.6Very low42.1Very low105 Ų105132.6 Ų132.687%0.86882%0.822SS**  trans74.3121.9151.800000120
391G32.6Very low41.4Very low74 Ų74135.2 Ų135.276%0.76382%0.822SS**  trans167.7117.6170.400000110.9
392P51Low40.8Very low133 Ų133135.6 Ų135.686%0.86483%0.826SS**  trans-108.7138.1-168.537.2-31.4000115.4
393A37Very low40.6Very low108 Ų108134.4 Ų134.489%0.89382%0.822SS**  trans161.1151.1141.600000111.6
394G31.3Very low40.1Very low74 Ų74130 Ų13076%0.76381%0.813SS**  trans107.5127.6171.700000114.5
395P45.2Very low39.6Very low132 Ų132130.9 Ų130.986%0.85781%0.809SS**  trans-102.6133.2-169.136.3-32.4000115.7
396G34.9Very low39.3Very low86 Ų86134 Ų13489%0.88781%0.812SS**  trans66.4133.7133.700000121.2
397G36.3Very low38.3Very low73 Ų73135.6 Ų135.675%0.75381%0.808SS**  trans138.485.7157.400000116.6
398D37.3Very low37.8Very low123 Ų123134.5 Ų134.566%0.65880%0.801SS**  trans45.3120.1150.4-81-80.2000123.4
399R40.2Very low37.5Very low210 Ų210128.7 Ų128.779%0.79280%0.798SS**  70.278.5129.1-66.9174.6172.3128.9-7.8120.3
400E35.8Very low36.3Very low178 Ų178131 Ų13183%0.83280%0.804SS**  27106.299.9-169.3-167.9-177.600117.7
401K41.4Very low36.4Very low191 Ų191129.3 Ų129.383%0.8379%0.786SS**  -165.4128.3113.7-113.6177.7-179.6179.10112.8
402G32.6Very low36.7Very low79 Ų79133.7 Ų133.781%0.81479%0.791SS**  trans-79.7142169.900000111.9
403Y38.9Very low36.2Very low215 Ų215135.1 Ų135.184%0.84379%0.786SS**  trans-87.5146.8166.3-83.7-107.6000110.6
404M33.5Very low36.1Very low152 Ų152134.1 Ų134.175%0.74978%0.778SS**  trans-164.4115.2141.2-89.7-47.692.600105.5
405T33.4Very low36.1Very low118 Ų118136.1 Ų136.172%0.72478%0.78SS**  54131.599.464.60000113.5
406D31.1Very low35.8Very low162 Ų162140.6 Ų140.687%0.86678%0.779SS**  cis-139.1165.730.2-172.524.1000112.6
407E31.8Very low35.6Very low160 Ų160142.1 Ų142.175%0.74877%0.772SS**  trans-137.8129.7-177.8-137.2-133.3126.900114.9
408S38.3Very low35.4Very low98 Ų98149 Ų14969%0.68578%0.777SS**  trans51.8116.7143.5-64.10000121.6
409S35.6Very low35.1Very low121 Ų121146.7 Ų146.785%0.84678%0.782SS**  trans-125.4144.6139.265.70000108.7
410N27.7Very low34.8Very low160 Ų160140.5 Ų140.586%0.85678%0.784SS**  cis-1401650.4-169.916.6000110.9
411S38.4Very low34.7Very low69 Ų69144.3 Ų144.348%0.48379%0.79SS.*  trans-121.2155.4-176.179.90000113.3H413S411-H413 PolarHBondContact OG-ND1 2.92Å
412L39.8Very low34.2Very low165 Ų165139 Ų13986%0.86479%0.789SS**  trans-138.1115.3143-69.2177.8000106.2
413H39.6Very low34.3Very low163 Ų163147.7 Ų147.776%0.75580%0.797SS**  65.5129.172.7-76.449000112.6S411S411-H413 PolarHBondContact OG-ND1 2.92Å
414A34.9Very low33.9Very low88 Ų88140.8 Ų140.873%0.72779%0.792SS**  cis-155.8-177.3-5.400000108.6
415S32.4Very low34.1Very low115 Ų115145.6 Ų145.680%0.80480%0.801SS**  cis-156.3-163.611.7-158.20000112.6
416R37.3Very low33.9Very low226 Ų226151.6 Ų151.685%0.85381%0.811SS**  trans-98.6174173.7-54.8164.3179164-1.4109.1
417T30.8Very low33.9Very low118 Ų118148.2 Ų148.272%0.72481%0.805SS**  cis-157-158.49.9-12.30000106.1
418Y31.8Very low33.8Very low218 Ų218146 Ų14686%0.85581%0.807SS**  cis-156.31425.7-151.1-78.1000111.2
419G33Very low33.2Very low75 Ų75148.1 Ų148.177%0.77381%0.811SS**  trans72165.4162.100000117.5
420G32.3Very low33.1Very low80 Ų80147.6 Ų147.683%0.82580%0.803SS**  cis177.3106.3-5.100000112.4
421R34.4Very low33.4Very low258 Ų258148.5 Ų148.597%0.97480%0.802SS**  trans-41.4141.8-177.9-57.2167.1173.6175.4-3.1115.7
422G30.7Very low32.9Very low78 Ų78156 Ų15680%0.80482%0.821SS**  trans17374.9159.200000121.4
423R35.7Very low32.4Very low262 Ų262154.1 Ų154.199%0.98982%0.822SS**  trans5135.8152.6-61.8173.9170.2-173.4-3.4120.4
424G30.4Very low32Very low70 Ų70148.9 Ų148.972%0.72281%0.812SS**  147.7103.4122.300000121.9
425R36.9Very low31.8Very low253 Ų253156.8 Ų156.896%0.95583%0.825SS**  trans64.3125.5147-60.5-174.6178.1-130.3-0.7121.4
426R30Very low31.7Very low245 Ų245154.2 Ų154.293%0.92582%0.817SS**  trans10.6142.9133.3-79.9-174.5178.1169.9-0.5118.9
427A29.9Very low31.3Very low90 Ų90149.8 Ų149.874%0.74482%0.815SS**  cis-169.6173.74.900000113.7
428S30.1Very low31.1Very low113 Ų113151.3 Ų151.379%0.7982%0.819SS**  trans103.1116.8147.1-149.90000118.8
429N26.5Very low31.1Very low143 Ų143145.8 Ų145.877%0.76581%0.812SS**  trans57.9111.1144.2-158.331.9000120.3
430T32.4Very low31Very low110 Ų110150.2 Ų150.268%0.67581%0.812SS**  -172.5134120.2-77.60000111.3
431Q34Very low31.1Very low179 Ų179153.6 Ų153.684%0.83681%0.811SS**  trans50.183.1159.6-69.3156.7-3.700120.1
432Y28.3Very low30.9Very low226 Ų226146.7 Ų146.789%0.88680%0.802SS**  trans-6.1121.9132.5-165.9-90.5000117.9
433S29.8Very low30.8Very low126 Ų126150.8 Ų150.888%0.88181%0.806SS**  trans-150.7124.6144.3-173.30000108.8
434G30.4Very low30.6Very low54 Ų54142 Ų14256%0.55779%0.789SS**  trans-134.4138.3-177.900000110.7
435Y30.6Very low30.7Very low254 Ų254143.1 Ų143.1100%0.99679%0.786SS**  trans-65.3138.4-179.9-88.9-107000112
436G29.6Very low30.3Very low61 Ų61139.4 Ų139.463%0.62978%0.779SS**  trans-161.484.3-178.300000114.6
437T28.9Very low30.4Very low132 Ų132132.9 Ų132.981%0.8177%0.771SS**  trans55.6125.7147.360.40000122.5
438N27.9Very low30.5Very low151 Ų151137.3 Ų137.381%0.80778%0.777SS**  trans79.9150.7131.9-7719.4000124.4
439S31.3Very low30.6Very low101 Ų101139.3 Ų139.371%0.70678%0.778SS**  trans66.599.6149.551.60000120.8
440E30.8Very low31Very low168 Ų168138.8 Ų138.879%0.78578%0.78SS**  65.6118.7117.9-66.3-168.1139.700122.4
441L35.4Very low31Very low151 Ų151139.7 Ų139.779%0.79178%0.781SS**  63.8114.4129.9-58.9175.4000120.3
442S29.3Very low31.1Very low113 Ų113137.8 Ų137.879%0.7978%0.776SS**  trans-161.3128.5137.7-80.70000111
443N28.9Very low31.3Very low165 Ų165136.6 Ų136.688%0.88277%0.77SS**  trans156.6147.5151.2-85.7-8.8000110.3
444A31.6Very low31.6Very low77 Ų77136.9 Ų136.964%0.63676%0.757SS**  cis-169.1176.6-17.400000109
445S31.5Very low31.8Very low93 Ų93141.5 Ų141.565%0.6577%0.768SS**  trans72.6117.6166.5-62.30000116.5
446E29.7Very low32Very low175 Ų175140.1 Ų140.182%0.81876%0.762SS**  79.4138.870.6-70.2159131.200112
447S30.9Very low32.9Very low108 Ų108143.5 Ų143.576%0.75577%0.773SS**  cis-160.7-176.6-3.746.90000107.7
448E32.8Very low33.1Very low184 Ų184149 Ų14986%0.8678%0.778SS**  cis-141.7-179.415-61.5179.789.300111.2
449D31.5Very low33.3Very low155 Ų155145.3 Ų145.383%0.82978%0.776SS**  trans-84.4156.3170.4-73.8-85.1000113.8
450V34.8Very low33.4Very low131 Ų131148.7 Ų148.779%0.79479%0.785SS**  -155.2121.2123.2-1550000111.8
451N32.4Very low33.3Very low130 Ų130144.5 Ų144.570%0.69579%0.786SS**  trans57.4154157.4-76.417.8000120.8
452D35.6Very low33.1Very low138 Ų138140.9 Ų140.974%0.73879%0.785SS**  cis-138.9168.914.6-131.3-43.7000115.9
453R34.1Very low33.3Very low201 Ų201143.1 Ų143.176%0.75879%0.789SS**  trans-84.7169.2-178.5-78.6-177.6140.3111.2-4.7112.5
454E34.6Very low33.6Very low132 Ų132142 Ų14262%0.61778%0.778SS**  cis-158.2157.1-5.4-121.2172.5-168.400112.5
455L35.2Very low33.9Very low151 Ų151148.8 Ų148.879%0.79179%0.787SS**  trans67.8143143.2-74.6164.4000124.8
456R35.3Very low33.8Very low226 Ų226147.7 Ų147.785%0.85379%0.79SS**  trans-99.7170.9158-57.2176.5176.5179-1.9109.7
457P47.5Very low34.1Very low132 Ų132144.4 Ų144.486%0.85779%0.786SS**  trans-106.6164.4134.2-13.731.6000114.1
458R33.8Very low34.2Very low246 Ų246149.7 Ų149.793%0.92879%0.79SS**  trans-124.5141.9175.1-165.3-178.9-170179.52.7107.9
459G32.4Very low34.2Very low74 Ų74152.9 Ų152.976%0.76379%0.794SS**  trans-84.7176.1-169.100000116.9
460I32.3Very low34.1Very low173 Ų173149.5 Ų149.589%0.88780%0.796SS**  trans-139.8130.5174.7-75158.6000104.3
461G29.9Very low33.9Very low79 Ų79147.1 Ų147.181%0.81480%0.797SS**  86.1139.680.200000111
462G31.7Very low33.9Very low75 Ų75153.3 Ų153.377%0.77381%0.811SS**  cis-174.5169.5-2.600000111.5
463D32.9Very low33.6Very low161 Ų161150.2 Ų150.286%0.86181%0.812SS**  trans6.7133.7171.1-58.3-56.5000123.4
464E34.2Very low33.5Very low142 Ų142153.1 Ų153.166%0.66482%0.823SS**  179.2144.1109.3-97.4-127.1107.100114.8
465R37.9Very low33.2Very low219 Ų219150.6 Ų150.683%0.82683%0.832SS**  trans62.3144.5161.5-56.9162.9-156.6-163.27.6118.9
466G31Very low33.1Very low69 Ų69148.1 Ų148.171%0.71183%0.834SS**  cis152.3114.4-14.200000115.5
467S34.8Very low33Very low106 Ų106145.2 Ų145.274%0.74184%0.835SS**  trans69.7156.9166.5-67.60000118.5
468R34.3Very low32.4Very low220 Ų220145 Ų14583%0.8384%0.837SS**  cis-169.7149.6-17-105.8166.7-175.1-173.91.2109.4
469R32.1Very low32.3Very low251 Ų251136 Ų13695%0.94782%0.82SS**  trans57.3139164.5-66.7175.3168.7167.1-5.4116
470G28.5Very low32.3Very low83 Ų83144.9 Ų144.986%0.85683%0.831SS**  cis119.3121.416.800000110.3
471G30.6Very low32.2Very low81 Ų81140.3 Ų140.384%0.83583%0.826SS**  trans-171.9158.7-177.900000114.3
472R33.1Very low32.3Very low261 Ų261148.8 Ų148.899%0.98583%0.834SS**  trans-129.6146.6-178.6-72.8176.7170.4175.7-3.4111.6
473G29.1Very low32.1Very low73 Ų73149.2 Ų149.275%0.75384%0.837SS**  trans159.2122.9168.200000109.1
474R32.7Very low32Very low262 Ų262145.1 Ų145.199%0.98983%0.833SS**  cis85.497.315.2-144.7-172-157.1-151.86.1115.5
475G28.1Very low31.8Very low78 Ų78145.4 Ų145.480%0.80485%0.845SS**  trans134.4147.1171.100000111.9
476A33.1Very low31.5Very low100 Ų100139.6 Ų139.683%0.82684%0.844SS**  cis-159.2162.3-15.400000110.1
477N32.5Very low31.6Very low165 Ų165141.2 Ų141.288%0.88285%0.851SS**  trans-73.9155.8-179.8-62.431.1000113.2
478S35.5Very low31.7Very low128 Ų128145.1 Ų145.190%0.89585%0.854SS**  trans-118.3162.1137.8-171.80000109.1
479G31.7Very low31.9Very low56 Ų56140.2 Ų140.258%0.57785%0.851SS**  trans167.4-171.3-179.900000115.3
480R33Very low32.2Very low261 Ų261132.9 Ų132.999%0.98584%0.838SS**  trans73.8140.3-161.5-49.1166.8176.5-174.5-1.9111.3
481G29.3Very low33.1Very low77 Ų77134.4 Ų134.479%0.79483%0.827SS**  cis-159.5-172.9-9.100000107.2
482R32.1Very low34.3Very low257 Ų257132.3 Ų132.397%0.9780%0.8SS**  cis-175.3157.620.7-158.1-174.9-168-172.43.1107.5
483G28.3Very low35.3Very low83 Ų83126.4 Ų126.486%0.85679%0.786SS**  trans85.8144.7164.900000115.4
484G30.7Very low36.3Very low75 Ų75126.5 Ų126.577%0.77378%0.775SS**  trans-128.7-177.4-174.700000113.9
485T30.2Very low37.3Very low148 Ų148116.5 Ų116.591%0.90875%0.746SS**  trans-149.4159.5159.930.80000108.8
486A30.7Very low38.6Very low97 Ų97116 Ų11680%0.80273%0.727SS**  trans-71.2144.3-179.500000112K488A486-K488 PolarHBondContact O-N 3Å
487A33.3Very low39.5Very low104 Ų104118.5 Ų118.586%0.8673%0.725SS**  trans-69.9115.817600000110.8
488K36.2Very low40.3Very low187 Ų187121.5 Ų121.581%0.81372%0.724SS**  trans-72.5145.5163.9-65.6-173.6176.3-171.30109.5A486 S490A486-K488 PolarHBondContact O-N 3Å; K488-S490 PolarHBondContact O-N 3.37Å
489P39.9Very low41.2Very low118 Ų118118.8 Ų118.877%0.76670%0.7SS**  trans-62.9134.3167.628.2-33.5000109.6N491P489-N491 PolarHBondContact O-N 3.08Å
490S38.5Very low42.2Very low97 Ų97121 Ų12168%0.67870%0.704SS**  trans-97.780.4-176.640.80000111.2K488 S492K488-S490 PolarHBondContact O-N 3.37Å; S490-S492 WeakPolarHBondContact O-CB 3.43Å; S490-S492 PolarHBondContact O-N 3.24Å; S490-S492 PolarHBondContact O-OG 3.34Å
491N46.8Very low43.1Very low114 Ų114115.8 Ų115.861%0.6170%0.695SS**  trans-57.998.4170-81.316.1000109.4P489 L507P489-N491 PolarHBondContact O-N 3.08Å; N491-L507 HydrophobicContact CB-CD2 3.93Å
492S55.7Low44.5Very low38 Ų38114.7 Ų114.727%0.26668%0.676SS.*SBendtrans-155.4144.3-170.759.90000108.7S490 S494 S495S490-S492 WeakPolarHBondContact O-CB 3.43Å; S490-S492 PolarHBondContact O-N 3.24Å; S490-S492 PolarHBondContact O-OG 3.34Å; S492-S494 WeakPolarHBondContact CB-OG 3.43Å; S492-S494 PolarHBondContact O-N 3.22Å; S492-S494 PolarHBondContact OG-OG 2.86Å; S492-S495 PolarHBondContact O-N 2.89Å; S492-S495 PolarHBondContact O-OG 2.93Å
493I54.6Low45.8Very low136 Ų136107.7 Ų107.770%0.69766%0.658SS**THydrogen-bonded Turntrans-56.4-23.3-175.9-64.4169.4000112.3S495 V496I493-S495 VanDerWaalsContact C-N 3.26Å; I493-S495 PolarHBondContact O-N 2.74Å; I493-V496 PolarHBondContact O-N 2.99Å
494S48.7Very low47.1Very low75 Ų75107.7 Ų107.752%0.52464%0.643SS.*THydrogen-bonded Turntrans-61.1-16.5171.725.70000116.4S492S492-S494 WeakPolarHBondContact CB-OG 3.43Å; S492-S494 PolarHBondContact O-N 3.22Å; S492-S494 PolarHBondContact OG-OG 2.86Å
495S55.5Low47.8Very low53 Ų53111.9 Ų111.937%0.37164%0.636SS.*THydrogen-bonded Turntrans-74.4-43.3174.260.30000112.1S492 I493 L497 R498 D499S492-S495 PolarHBondContact O-N 2.89Å; S492-S495 PolarHBondContact O-OG 2.93Å; I493-S495 VanDerWaalsContact C-N 3.26Å; I493-S495 PolarHBondContact O-N 2.74Å; S495-L497 PolarHBondContact O-N 2.85Å; S495-R498 WeakPolarHBondContact O-CA 3.35Å; S495-R498 PolarHBondContact O-N 2.95Å; S495-D499 PolarHBondContact O-N 3.47Å; S495-D499 VanDerWaalsContact O-N 3.11Å
496V54.9Low48.8Very low67 Ų67107.9 Ų107.941%0.40662%0.618SS.*THydrogen-bonded Turntrans-63.6-23.2-179.4-170.30000112.1I493I493-V496 PolarHBondContact O-N 2.99Å
497L52.2Low49.8Very low153 Ų153107.8 Ų107.880%0.80160%0.603SS**THydrogen-bonded Turntrans-86.9-3.6173-65.4175.8000114.2S495S495-L497 PolarHBondContact O-N 2.85Å
498R48.8Very low50.5Low228 Ų228109.5 Ų109.586%0.8660%0.598SS**THydrogen-bonded Turntrans-111.6-24.5178.6-86.1-172.1167.7-162.2-2.4114.2S495S495-R498 WeakPolarHBondContact O-CA 3.35Å; S495-R498 PolarHBondContact O-N 2.95Å
499D54.9Low50.9Low70 Ų70109.5 Ų109.537%0.37460%0.6SS.*  trans-137.3102.8-176.1179.620.4000109.2S495 D501 S502S495-D499 PolarHBondContact O-N 3.47Å; S495-D499 VanDerWaalsContact O-N 3.11Å; D499-D501 PolarHBondContact O-N 3.22Å; D499-S502 PolarHBondContact O-N 2.79Å; D499-S502 WeakPolarHBondContact OD2-CB 3.19Å; D499-S502 PolarHBondContact OD2-OG 3.4Å
500P52.1Low50.7Low103 Ų103106.8 Ų106.867%0.66959%0.593SS**THydrogen-bonded Turntrans-73.6-14-171.431.3-36.1000113.8
501D51.5Low50.6Low151 Ų151112.1 Ų112.181%0.80761%0.608SS**THydrogen-bonded Turntrans-97.6-2.9-177-59.7-29.7000112.7D499D499-D501 PolarHBondContact O-N 3.22Å
502S59.5Low49.9Very low54 Ų54110.8 Ų110.838%0.37862%0.621SS.*SBendtrans-73.6127.3179.4-97.30000112.9D499 P504D499-S502 PolarHBondContact O-N 2.79Å; D499-S502 WeakPolarHBondContact OD2-CB 3.19Å; D499-S502 PolarHBondContact OD2-OG 3.4Å; S502-P504 WeakPolarHBondContact O-CD 3.28Å
503N59.2Low48.9Very low111 Ų111117.7 Ų117.759%0.59465%0.649SS**  trans-61.6117.8-179.3177.43.9000112.4Y505N503-Y505 VanDerWaalsContact C-N 3.27Å; N503-Y505 PolarHBondContact O-N 3.1Å; N503-Y505 PolarHBondContact OD1-N 3.45Å
504P54.8Low47.8Very low83 Ų83119.4 Ų119.454%0.53966%0.659SS.*G310 helixtrans-70.4-16.2-175.928.7-36000114.6S502 A506S502-P504 WeakPolarHBondContact O-CD 3.28Å; P504-A506 VanDerWaalsContact C-N 3.34Å; P504-A506 PolarHBondContact O-N 2.8Å
505Y45.7Very low47Very low163 Ų163120.2 Ų120.264%0.63967%0.669SS**G310 helixtrans-80.1-9.7-176.8-73.1-84.1000114.5N503 L507 L508N503-Y505 VanDerWaalsContact C-N 3.27Å; N503-Y505 PolarHBondContact O-N 3.1Å; N503-Y505 PolarHBondContact OD1-N 3.45Å; Y505-L507 PolarHBondContact O-N 2.86Å; Y505-L508 HydrophobicContact CD1-CD1 4Å; Y505-L508 PolarHBondContact O-N 2.83Å
506A52.4Low45.9Very low63 Ų63125.6 Ų125.652%0.52169%0.694SS.*G310 helixtrans-63.5-6.1179.900000114.9P504P504-A506 VanDerWaalsContact C-N 3.34Å; P504-A506 PolarHBondContact O-N 2.8Å
507L51.3Low44.8Very low95 Ų95127.5 Ų127.550%0.49772%0.717SS.*G310 helixtrans-83.8-11.7172.7-84.4162.6000114.2N491 Y505N491-L507 HydrophobicContact CB-CD2 3.93Å; Y505-L507 PolarHBondContact O-N 2.86Å
508L47.9Very low43.8Very low141 Ų141127.8 Ų127.874%0.73872%0.719SS**SBendtrans-99.3-10.9-172.6-87.2158.5000115.2Y505Y505-L508 HydrophobicContact CD1-CD1 4Å; Y505-L508 PolarHBondContact O-N 2.83Å
509E43.3Very low43Very low187 Ų187124.8 Ų124.887%0.87472%0.719SS**SBendtrans-94.614.8-179.4-59.4-170137.300113.4
510G37.4Very low42Very low60 Ų60126.1 Ų126.162%0.61973%0.734SS**  trans-106108.1-171.600000115.3
511E36.3Very low40.9Very low210 Ų210130.8 Ų130.898%0.98175%0.747SS**  trans67138.5164.8-65.3-177.4128.400118.9
512G31.9Very low39.8Very low85 Ų85127.1 Ų127.188%0.87675%0.745SS**  trans175.972.4-177.500000110.1
513E33.6Very low38.5Very low184 Ų184133.3 Ų133.386%0.8677%0.77SS**  trans-129.4156.8-178.5-160.9169.8-152.100109.5
514L32.4Very low37.1Very low172 Ų172133.2 Ų133.290%0.90178%0.784SS**  trans75.5140.2-170.1-48.4177.8000114.3
515A31.8Very low36Very low91 Ų91132.6 Ų132.675%0.75279%0.794SS**  cis-147.9173-5.200000111.1
516D31.9Very low35.3Very low167 Ų167132.5 Ų132.589%0.89380%0.804SS**  trans-68.1145.6-173.1-53.5-87.3000115.9
517A31.8Very low34.3Very low106 Ų106140 Ų14088%0.87682%0.819SS**  trans-148.713515400000109.4
518D32.2Very low33.5Very low159 Ų159143.8 Ų143.885%0.8583%0.834SS**  trans-88.8142.8-174.8-176.223.7000112.4
519L31.4Very low32.8Very low165 Ų165148.5 Ų148.586%0.86484%0.842SS**  trans-174.7156.2157.4-104.9170.2000111
520S32.8Very low32.1Very low98 Ų98151.4 Ų151.469%0.68584%0.844SS**  trans-114174.4-154.359.40000117.8
521E30.5Very low31.9Very low202 Ų202153 Ų15394%0.94485%0.846SS**  trans76.8153.4167.9-68.3-167.2136.200119.5
522G27.9Very low31.8Very low74 Ų74153.1 Ų153.176%0.76384%0.838SS**  trans131.139.5160.200000121.6
523M31.1Very low31.8Very low184 Ų184160.5 Ų160.591%0.90684%0.839SS**  trans49.5122.3151.7-11057.1169.700123.2
524A30.9Very low31.8Very low108 Ų108163.1 Ų163.189%0.89384%0.841SS**  trans67153.8142.500000121.4
525G30.7Very low31.8Very low71 Ų71165.9 Ų165.973%0.73284%0.84SS**  trans122.698.9172.700000114.1
526D32Very low31.6Very low160 Ų160167.2 Ų167.286%0.85683%0.834SS**  trans-45.5152.8-169.6-142.2-36.5000118.1
527R31.4Very low31.7Very low220 Ų220166.7 Ų166.783%0.8383%0.831SS**  trans-117.3127-179-63.5176.9-177.7166.50.5111.4
528H34Very low31.8Very low176 Ų176170.9 Ų170.982%0.81583%0.833SS**  trans-127.165.3166.5-107.259.7000113.3
529R33.3Very low31.7Very low240 Ų240171.9 Ų171.991%0.90683%0.832SS**  trans-84.6103.8165.4-78.5-176.3172.2177.2-2.1110.3S531R529-S531 PolarHBondContact O-N 3.36Å
530R29.6Very low32.2Very low247 Ų247169.3 Ų169.393%0.93283%0.826SS**  trans-77.2114.5163.1-81.7-172.8172.3-178.2-1.6109.9
531S32.2Very low32.2Very low94 Ų94169.5 Ų169.566%0.65783%0.827SS**  trans-113.1118-174.4-179.10000112.4R529R529-S531 PolarHBondContact O-N 3.36Å
532R34.8Very low32.4Very low213 Ų213165.7 Ų165.780%0.80482%0.817SS**  trans55.5144140.3-67.4178.2167.3175.1-2.8121.8
533R32.4Very low32.7Very low239 Ų239170.1 Ų170.190%0.90282%0.82SS**  trans87146.1150.4-75.9166.5178.6179.9-1.4119
534R33.2Very low32.7Very low239 Ų239169 Ų16990%0.90282%0.818SS**  trans-103.9141.3175.1-55.5166.6173165.5-5.7108.5
535R31Very low32.7Very low230 Ų230168.2 Ų168.287%0.86881%0.811SS**  165.9147.7121.5-96.5-176169.6177.7-4112.8
536N29.6Very low32.9Very low120 Ų120169.1 Ų169.164%0.64281%0.811SS**  trans43.6100.3154.3-6558.9000118.5
537D33.1Very low33Very low155 Ų155167 Ų16783%0.82981%0.805SS**  39.2125.5101.9-41.8-27.5000117.7
538Q33.4Very low33.1Very low195 Ų195164.9 Ų164.991%0.91180%0.804SS**  trans-107.4138172.5-65.1-179.33.600111.1
539E29.5Very low33.1Very low179 Ų179161.3 Ų161.384%0.83680%0.799SS**  trans-72.3159.1159.3-118174.3-124.500110
540P43Very low33Very low112 Ų112156.8 Ų156.873%0.72779%0.793SS**  -152.3176.873.940.8-21.4000117.8
541S32Very low33.1Very low101 Ų101150.7 Ų150.771%0.70678%0.779SS**  trans79145.517282.10000115.5
542V36.5Very low33.3Very low122 Ų122154.8 Ų154.874%0.73979%0.787SS**  cis-145.3159.216.7-1310000112.4
543M33.6Very low33.1Very low168 Ų168149.6 Ų149.683%0.82879%0.79SS**  trans66.8114.6148.8-69.2-60-178.400122.1
544D31.6Very low33Very low160 Ų160141.8 Ų141.886%0.85678%0.784SS**  106.8152.9125.3-125.6-20.3000120.3
545A31Very low34Very low91 Ų91136.1 Ų136.175%0.75278%0.778SS**  trans-132145.7-163.100000113.5
546A34.7Very low33.9Very low90 Ų90130.5 Ų130.574%0.74477%0.774SS**  trans-157.7105.9158.800000112.2
547T33.6Very low34Very low117 Ų117132.7 Ų132.772%0.71878%0.781SS**  trans34119.8135.755.90000121.9
548E33.1Very low33.9Very low175 Ų175132.4 Ų132.482%0.81878%0.779SS**  88.4123.6119.4-71.4-178.2-168.500123.8
549S33.1Very low33.6Very low101 Ų101126.2 Ų126.271%0.70677%0.768SS**  83.282.6126.1-59.20000123
550D33Very low33.8Very low144 Ų144125.4 Ų125.477%0.7777%0.768SS**  74.2161.6111.1-154.422.5000122.5
551N31.6Very low33.2Very low119 Ų119126 Ų12664%0.63677%0.765SS**  trans76.382.8167.9-68-66.6000121.6
552Q34.8Very low33.3Very low180 Ų180128 Ų12884%0.84177%0.768SS**  52.2123106.5-151.7175.791.400121.9
553A31.2Very low33.1Very low104 Ų104130.4 Ų130.486%0.8677%0.771SS**  trans70.3134.2149.500000122.3
554G30Very low33Very low75 Ų75127.1 Ų127.177%0.77377%0.771SS**  trans145.4130.416600000114.1
555P53.9Low33.2Very low120 Ų120130.6 Ų130.678%0.77977%0.772SS**  trans-121.2166.2-174.540.6-30.4000117.2
556S30.3Very low34Very low112 Ų112131.5 Ų131.578%0.78377%0.77SS**  trans80.4145.1147420000123.6
557E30.5Very low34Very low167 Ų167134.3 Ų134.378%0.7877%0.768SS**  trans82.3112.3157.2-69.2-14983.500124.4
558N32.4Very low34.1Very low148 Ų148139 Ų13979%0.79177%0.772SS**  49.9125.1119.4-60.8-29.4000123.4
559G27.1Very low34.1Very low66 Ų66140.5 Ų140.568%0.6877%0.771SS**  trans159.5122.6162.700000110.3
560L33.5Very low33.8Very low161 Ų161141.2 Ų141.284%0.84377%0.767SS**  69.9133.661.2-62.2-175.8000112.1
561D30.8Very low33.8Very low125 Ų125144.4 Ų144.467%0.66877%0.768SS**  cis-151.8172.917.3-89.9-43.4000114
562D33.2Very low33.7Very low144 Ų144143 Ų14377%0.7777%0.767SS**  trans35.9167.7139.4-69.6-17.9000124.7
563E33Very low33.7Very low171 Ų171145.5 Ų145.580%0.79977%0.769SS**  cis-164.3137.7-33.3175.6-178-146.400107.5
564A31.6Very low33.6Very low99 Ų99151.1 Ų151.182%0.81877%0.768SS**  trans-160.4149.2159.400000113.6
565R35.6Very low33.9Very low234 Ų234158.3 Ų158.388%0.88377%0.772SS**  trans-155.1153.2178.9-121.7178-176.9175.86.6110.8
566P47Very low32.9Very low110 Ų110164.1 Ų164.171%0.71478%0.778SS**  -154.3159.296.838.3-19.9000118
567Q34.9Very low32.8Very low149 Ų149165.7 Ų165.770%0.69678%0.778SS**  trans34.8142137.4-58.3-168.74800121.2
568R34.7Very low32.8Very low214 Ų214169 Ų16981%0.80878%0.783SS**  cis-161.2168.711-113.6165.8-173.6-1735.7106.4
569R34Very low32.6Very low207 Ų207165.3 Ų165.378%0.78178%0.78SS**  cis-171.414039.2-154.6-177-175.3178.61.7111.2
570N27.8Very low32.6Very low117 Ų117168.6 Ų168.663%0.62679%0.792SS**  trans58.9153.3156.4-67.8-8.3000120.9
571R31.8Very low32.7Very low211 Ų211172.4 Ų172.480%0.79680%0.796SS**  cis-163.1121.9-20.1-109.3179.5-177.8180-2.6107.4
572S29.3Very low33.4Very low89 Ų89171.5 Ų171.562%0.62280%0.797SS**  60.1138.696.577.10000116.8
573R34.5Very low33.2Very low233 Ų233173.9 Ų173.988%0.87980%0.803SS**  cis-164.2152.2-2.9-95155.7-173.4178.40105.7
574R29.8Very low32.9Very low222 Ų222169.6 Ų169.684%0.83881%0.805SS**  cis93.498.835.5-160.4-170.7-158.1-157.39.1115.7
575R36Very low32.6Very low225 Ų225168.9 Ų168.985%0.84981%0.807SS**  trans37.7141.1148.3-62.4-176.6177-180-1.5122.1
576R32.3Very low32.4Very low242 Ų242164 Ų16491%0.91381%0.809SS**  trans172.5158.3137-97.8162.2-177.4-158.70.2110.2
577N28.9Very low31.6Very low146 Ų146163.9 Ų163.978%0.78182%0.817SS**  cis-158.2-179-23-154.711.6000110.9
578R31.4Very low31.3Very low236 Ų236162 Ų16289%0.89182%0.821SS**  trans-59.5154.3174.5-58.4171174.1163.6-4.8115
579G27Very low31.1Very low70 Ų70162.3 Ų162.372%0.72282%0.822SS**  trans173.8120.5155.700000117.8
580S28.3Very low30.9Very low135 Ų135158.7 Ų158.794%0.94482%0.818SS**  trans70140.8146.8-530000123.7
581R35.5Very low31Very low241 Ų241164 Ų16491%0.90983%0.829SS**  trans-138.1145.3157.5-144.9-174.5-175.5-175.61.8104.9
582P44.1Very low30.9Very low107 Ų107162.9 Ų162.970%0.69583%0.833SS**  -153.6179.889.241.7-23.2000115.9
583E29.2Very low31.4Very low194 Ų194164.5 Ų164.591%0.90784%0.841SS**  trans58.9145.3152.1-77.4177.1179.500123.6
584G27.3Very low31.3Very low80 Ų80156.7 Ų156.783%0.82583%0.834SS**  trans133.7109.2157.600000117.2
585G26Very low31.6Very low85 Ų85155.5 Ų155.588%0.87684%0.838SS**  trans99.2130.3151.400000118.6
586S30.4Very low31.6Very low132 Ų132149.8 Ų149.892%0.92383%0.832SS**  trans-111.9141.1170.3-50.60000110.6
587A30.2Very low32.1Very low106 Ų106143.4 Ų143.488%0.87682%0.82SS**  trans-161.7161.316200000113.1
588S29.6Very low33.1Very low111 Ų111140 Ų14078%0.77681%0.805SS**  trans-62176.1-173.951.50000118.3
589R29.9Very low33.5Very low220 Ų220133.9 Ų133.983%0.8379%0.793SS**  trans-19.4148.2147.4-57175.3174.2162.8-4.9113.9
590D29.4Very low34.1Very low131 Ų131132.7 Ų132.770%0.70178%0.776SS**  -164.8172.750.9-127.5-51.3000114.8
591R29.1Very low34.8Very low227 Ų227130 Ų13086%0.85775%0.752SS**  trans36.8125.1159.6-68.8173.5-178.4168.5-1.4121.6
592Q31Very low35.4Very low188 Ų188128 Ų12888%0.87975%0.746SS**  trans-81.8140.1147.9-74.2-174-27.400111.1
593P39.2Very low35.7Very low123 Ų123126.9 Ų126.980%0.79973%0.733SS**  trans-77.7144.8136.934.5-28.5000108.4
594G31.8Very low36.1Very low70 Ų70122.1 Ų122.172%0.72272%0.721SS**  cis125.48024.500000106.8
595E36.9Very low36.7Very low196 Ų196128.1 Ų128.192%0.91672%0.718SS**  trans-66.9139-171-66.1176.6133.300111.7V597E595-V597 PolarHBondContact O-N 3.41Å
596S35.8Very low37.2Very low106 Ų106129.8 Ų129.874%0.74171%0.714SS**  trans-82.7107.9-177.753.50000111
597V43.9Very low37.4Very low108 Ų108132.8 Ų132.866%0.65571%0.713SS**  trans-58.6137.3169.3-177.20000109.8E595 D601 Y602E595-V597 PolarHBondContact O-N 3.41Å; V597-D601 HydrophobicContact CG1-CB 3.68Å; V597-Y602 HydrophobicContact CG1-CE2 4.44Å
598T48.1Very low37.5Very low74 Ų74133 Ų13345%0.45471%0.709SS.*  trans-103.8171.8-175.471.90000112A600 D601T598-A600 VanDerWaalsContact C-N 3.3Å; T598-A600 PolarHBondContact O-N 3.1Å; T598-D601 WeakPolarHBondContact CA-OD2 3.49Å; T598-D601 WeakPolarHBondContact CB-OD2 3.22Å; T598-D601 PolarHBondContact N-OD2 3.42Å; T598-D601 PolarHBondContact O-N 2.9Å; T598-D601 PolarHBondContact OG1-OD2 3.02Å
599V41.7Very low37.7Very low108 Ų108136.9 Ų136.966%0.65571%0.714SS**SBendtrans-65-34.9178177.30000111.6D601 Y602 I603V599-D601 VanDerWaalsContact C-N 3.29Å; V599-D601 PolarHBondContact O-N 2.69Å; V599-Y602 PolarHBondContact O-N 2.64Å; V599-I603 HydrophobicContact CG1-CD1 4.02Å
600A39.9Very low37.7Very low44 Ų44132 Ų13236%0.36471%0.714SS.*Hα-helixtrans-61.2-34.9178.100000112.9T598 Y602 I603 S604T598-A600 VanDerWaalsContact C-N 3.3Å; T598-A600 PolarHBondContact O-N 3.1Å; A600-Y602 PolarHBondContact O-N 2.81Å; A600-Y602 VanDerWaalsContact O-N 3.14Å; A600-I603 PolarHBondContact O-N 3.47Å; A600-S604 PolarHBondContact O-N 3.45Å; A600-S604 VanDerWaalsContact O-N 3.1Å; A600-S604 PolarHBondContact O-OG 2.8Å
601D42.5Very low37.9Very low80 Ų80137.2 Ų137.243%0.42872%0.724SS.*Hα-helixtrans-63.9-19.3-179.9-61.9-66000113.7V597 T598 V599V597-D601 HydrophobicContact CG1-CB 3.68Å; T598-D601 WeakPolarHBondContact CA-OD2 3.49Å; T598-D601 WeakPolarHBondContact CB-OD2 3.22Å; T598-D601 PolarHBondContact N-OD2 3.42Å; T598-D601 PolarHBondContact O-N 2.9Å; T598-D601 PolarHBondContact OG1-OD2 3.02Å; V599-D601 VanDerWaalsContact C-N 3.29Å; V599-D601 PolarHBondContact O-N 2.69Å
602Y47.7Very low38Very low199 Ų199135 Ų13578%0.7872%0.723SS**Hα-helixtrans-92.6-21.5174.3-93.3-88.9000113.9V597 V599 A600V597-Y602 HydrophobicContact CG1-CE2 4.44Å; V599-Y602 PolarHBondContact O-N 2.64Å; A600-Y602 PolarHBondContact O-N 2.81Å; A600-Y602 VanDerWaalsContact O-N 3.14Å
603I49.7Very low37.9Very low83 Ų83134.2 Ų134.243%0.42673%0.725SS.*Hα-helixtrans-88.3-38.1-177.7-63.1172000110.7V599 A600 R605V599-I603 HydrophobicContact CG1-CD1 4.02Å; A600-I603 PolarHBondContact O-N 3.47Å; I603-R605 VanDerWaalsContact C-N 3.33Å; I603-R605 PolarHBondContact O-N 2.87Å
604S37.5Very low37.6Very low93 Ų93136.1 Ų136.165%0.6573%0.727SS**SBendtrans-88.522-167.4-55.80000115.6A600 P606A600-S604 PolarHBondContact O-N 3.45Å; A600-S604 VanDerWaalsContact O-N 3.1Å; A600-S604 PolarHBondContact O-OG 2.8Å; S604-P606 VanDerWaalsContact O-CD 3.28Å; S604-P606 WeakPolarHBondContact O-CD 3.5Å
605R40.4Very low37.8Very low207 Ų207138.3 Ų138.378%0.78173%0.729SS**  trans-105.499.5-179.2-75.3-172.5174.8-132.3-3.6112.5I603I603-R605 VanDerWaalsContact C-N 3.33Å; I603-R605 PolarHBondContact O-N 2.87Å
606P35.9Very low37.4Very low120 Ų120138.3 Ų138.378%0.77973%0.729SS**  trans-65.9131.815829.1-32.9000109.2S604 S608S604-P606 VanDerWaalsContact O-CD 3.28Å; S604-P606 WeakPolarHBondContact O-CD 3.5Å; P606-S608 PolarHBondContact O-N 3.48Å
607E35.6Very low37.2Very low194 Ų194142.4 Ų142.491%0.90773%0.733SS**  trans-71122.8178-69.9-166.8126.100110.9
608S32.5Very low36.5Very low112 Ų112146.1 Ų146.178%0.78374%0.743SS**  trans-156.1137.1165.3-830000110.3P606P606-S608 PolarHBondContact O-N 3.48Å
609Q32.5Very low35.6Very low191 Ų191149.3 Ų149.389%0.89376%0.758SS**  trans66.995.7-178-51.7-171.320.200116.9
610S30.5Very low35.2Very low117 Ų117153.3 Ų153.382%0.81877%0.769SS**  trans-156.3128.2130.4-92.20000113.7
611R33.1Very low34.7Very low242 Ų242156.7 Ų156.791%0.91379%0.79SS**  trans78.2128.8162.1-61.7-175.8175.8-153.7-4.8119.6
612Q32.3Very low34.1Very low181 Ų181156.4 Ų156.485%0.84681%0.806SS**  trans-58.9154.2168.2-56.9143.9-53.500112
613N29.2Very low33.8Very low171 Ų171153.1 Ų153.191%0.91481%0.809SS**  trans-147.2151.8139-104.8-30000109.9
614L33.5Very low33Very low162 Ų162157.7 Ų157.785%0.84883%0.829SS**PPolyproline II helixtrans-90156.3-178.3-81.8148.3000111.2Q616L614-Q616 PolarHBondContact O-N 3.43Å
615P34.1Very low33.3Very low117 Ų117158.4 Ų158.476%0.7683%0.831SS**PPolyproline II helixtrans-74.9126.7-175.229.7-34.3000112
616Q30.3Very low32.8Very low195 Ų195155.6 Ų155.691%0.91183%0.825SS**PPolyproline II helixtrans-76.3128.9163.6-74.8-178.6-48.900109.7L614L614-Q616 PolarHBondContact O-N 3.43Å
617K31.3Very low32.6Very low193 Ų193156.4 Ų156.484%0.83982%0.818SS**PPolyproline II helixtrans-92.5117.8165.9-70.7-179.4176.6179.30108.6
618E29.4Very low32.3Very low185 Ų185155 Ų15586%0.86482%0.816SS**  trans-86108.1157.8-69.5-163.5137.400109.1
619N28.2Very low32.2Very low141 Ų141152.5 Ų152.575%0.75481%0.809SS**  trans-108.5128.8156.8-85.41.7000107.1
620H32.6Very low32.1Very low192 Ų192149.9 Ų149.989%0.88981%0.806SS**  trans-122.3146160.2-9127.9000108.6
621S29.3Very low32.1Very low115 Ų115149.6 Ų149.680%0.80480%0.804SS**  trans-133.4120-155.153.90000113.9
622G30.9Very low32.1Very low74 Ų74142 Ų14276%0.76379%0.793SS**  trans77.1175.9164.500000116
623P41.9Very low32.3Very low131 Ų131142.7 Ų142.785%0.85179%0.793SS**  cis-109.7161.87.839.3-31.8000115.4
624E32.3Very low32.5Very low178 Ų178141.5 Ų141.583%0.83278%0.78SS**  trans-75.9163.4162.9-132.1-175.6-127.800110.3
625P42.6Very low32.5Very low109 Ų109140 Ų14071%0.70877%0.769SS**  -157.8165.87641.4-20.9000119.7
626K30.9Very low32.3Very low148 Ų148140.4 Ų140.464%0.64376%0.761SS**  trans82.9118140.2-87.8174.9167.3-98.20124.4
627E31Very low32.3Very low137 Ų137140.7 Ų140.764%0.6475%0.753SS**  75.9138.6125.5-75165.3-17800123.3
628N30.1Very low32.3Very low163 Ų163137.4 Ų137.487%0.87275%0.749SS**  trans68.7152.6166.4-56.6-41.5000118.1
629G29.1Very low33.2Very low61 Ų61134.2 Ų134.263%0.62975%0.745SS**  cis161.9115.6-10.500000114.5
630T31Very low33.3Very low136 Ų136132.8 Ų132.883%0.83475%0.746SS**  trans57.2123.4158.836.60000122.4
631S31.2Very low33.3Very low111 Ų111132.9 Ų132.978%0.77674%0.743SS**  89.5114.512774.40000123.3
632A33.4Very low33.2Very low82 Ų82139 Ų13968%0.67875%0.749SS**  84.4124.6117.500000123.5
633K35.6Very low33.3Very low196 Ų196140.5 Ų140.585%0.85275%0.748SS**  trans74.7153.7145.8-69.3173-179.2174.40116.4
634K33.8Very low33.9Very low146 Ų146140.3 Ų140.364%0.63575%0.747SS**  cis-159.1161.77.8-138.8168.2155.8-125.80111.7
635E32.4Very low33.7Very low131 Ų131137.6 Ų137.661%0.61275%0.748SS**  trans66.8147146.7-89148.7-176.800120.6
636E31.1Very low33.3Very low125 Ų125141.9 Ų141.958%0.58476%0.755SS**  cis-157163.7-10.2-143.7179.2-176.500114.8
637R30.1Very low33.3Very low201 Ų201144.1 Ų144.176%0.75877%0.768SS**  trans58.7100.5149.1-91168.1-133.6-102.7-8.5122
638T31.3Very low33.4Very low123 Ų123143.8 Ų143.876%0.75578%0.775SS**  -48.7169.7129.156.50000112.9
639P48.1Very low34.3Very low118 Ų118141.7 Ų141.777%0.76677%0.77SS**  cis-134.1-153.825.536.1-10.4000112.3
640S30.6Very low34.6Very low111 Ų111145.7 Ų145.778%0.77678%0.783SS**  cis-159.8-174.415.7-155.60000114.7
641K32.2Very low34.9Very low194 Ų194147.2 Ų147.284%0.84379%0.785SS**  trans-89.5146.2-178.6-51.8161.7179.1175.40112.4
642R27.9Very low35Very low243 Ų243147.6 Ų147.692%0.91778%0.783SS**  -178157.1110.9-120.2-178.7171.8176.3-2.8114.6
643S33.2Very low35.2Very low107 Ų107151.3 Ų151.375%0.74879%0.791SS**  trans-149175.1162.1-36.10000106.8
644P52.9Low35.3Very low127 Ų127145.5 Ų145.583%0.82579%0.787SS**  cis-122.3-177.9-29.939.3-26.3000111.1
645S29.2Very low35.6Very low121 Ų121145.1 Ų145.185%0.84680%0.796SS**  trans-146.4144.2160.3530000111.6
646K34Very low35.9Very low198 Ų198148.1 Ų148.186%0.86183%0.832SS**  trans-88149.8171.4-60.7173178.4176.60109.1
647E30.7Very low36.1Very low195 Ų195149.3 Ų149.391%0.91184%0.844SS**  trans-157164.3137.6-121.9160.2-144.600110.6
648T33.9Very low36.5Very low131 Ų131146.6 Ų146.680%0.80485%0.849SS**  trans-127.9-167.1-170.161.60000110.6
649P48.5Very low36.7Very low118 Ų118147.9 Ų147.977%0.76685%0.854SS**  -109.4161.2-117.833.2-15.6000114.6
650T34.7Very low36.1Very low145 Ų145149.6 Ų149.689%0.8986%0.859SS**  trans-122.5133.9162.841.10000110.9
651L37.4Very low36.4Very low169 Ų169152.1 Ų152.189%0.88586%0.864SS**  trans-92.4172.7173.4-82.9156.4000110.6
652V34.8Very low36.7Very low119 Ų119149.3 Ų149.372%0.72187%0.866SS**  trans118.4131.8148.6178.60000115.3
653N37.6Very low37.3Very low160 Ų160142.6 Ų142.686%0.85686%0.862SS**  trans66.3114.8173.7-63.5-15.5000117.6
654G37Very low37.6Very low74 Ų74145.3 Ų145.376%0.76387%0.871SS**  trans-123.9170.5160.900000110.8
655V39.5Very low36.4Very low138 Ų138146.8 Ų146.884%0.83688%0.875SS**  trans-146.4135.8168.5174.90000107.4
656S39.1Very low37Very low194 Ų194149.2 Ų149.2100%1.35788%0.877SS**  trans66.50177.5-61.70000116.9

Retrieved 656 of 656 residues in 293.9 ms (Link to these results)

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