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Abasic site processing protein HMCES

Sensor of abasic sites in single-stranded DNA (ssDNA) required to preserve genome integrity by promoting error-free repair of abasic sites. Acts as an enzyme that recognizes and binds abasic sites in ssDNA at replication forks and chemically modifies the lesion by forming a covalent cross-link with DNA: forms a stable thiazolidine linkage between a ring-opened abasic site and the alpha-amino and sulfhydryl substituents of its N-terminal catalytic cysteine residue. The HMCES DNA-protein cross-link is then either reversed or degraded. HMCES is able to catalyze the reversal of its thiazolidine cross-link and cycle between a cross-link and a non-cross-linked state depending on DNA context: mediates self-reversal of the thiazolidine cross-link in double stranded DNA, allowing APEX1 to initiate downstream repair of abasic sites. The HMCES DNA-protein cross-link can also be degraded by the SPRTN metalloprotease following unfolding by the BRIP1/FANCJ helicase. Acts as a protease: mediates autocatalytic processing of its N-terminal methionine in order to expose the catalytic cysteine.

AlphaFold DB , UniProt , Accession A0A087XCC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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
1M73.4Confident94.5Very high93 Ų9325 Ų2546%0.45815%0.15SC..  0126.50-88.2-161.9-79.700104.8G3 N98 E130 T224 H235 R237M1-G3 PolarHBondContact O-N 3.13Å; M1-G3 VanDerWaalsContact O-N 3.1Å; M1-N98 HydrophobicContact SD-CB 3.97Å; M1-E130 WeakPolarHBondContact CA-OE2 3.39Å; M1-E130 PolarHBondContact N-OE2 3.02Å; M1-T224 HydrophobicContact CG-CG2 4.5Å; M1-H235 PolarHBondContact N-CD2 3.08Å; M1-H235 PolarHBondContact N-CE1 3.49Å; M1-H235 PolarHBondContact N-NE2 3.13Å; M1-R237 HydrophobicContact CG-CB 4.19Å; M1-R237 HydrophobicContact CG-CG 4.29Å
2C84.6Confident94.7Very high0 Ų029.5 Ų29.50%017%0.173CC..  trans-55.5114-176.9170.20000111.5W77 N98 F128 E130 P239C2-W77 WeakPolarHBondContact O-CZ2 3.49Å; C2-N98 PolarHBondContact O-ND2 2.94Å; C2-N98 PolarHBondContact O-OD1 3.45Å; C2-F128 HydrophobicContact CB-CD2 3.8Å; C2-F128 HydrophobicContact CB-CE2 4.33Å; C2-F128 HydrophobicContact CB-CG 4.39Å; C2-F128 VanDerWaalsContact SG-CB 3.51Å; C2-E130 PolarHBondContact N-OE2 2.87Å; C2-P239 HydrophobicContact CB-CG 3.69Å
3G95.3Very high94.9Very high23 Ų2332.2 Ų32.224%0.23718%0.183CC..  trans-126.910.5177.400000113.4M1 W77M1-G3 PolarHBondContact O-N 3.13Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-W77 VanDerWaalsContact C-CH2 3.47Å
4R98.3Very high95.1Very high33 Ų3329.9 Ų29.913%0.12517%0.17CC..EExtended strand (participates in β ladder)trans-149.5136.3178.1-156.97667.777.71.9111.1N45 K46 F128 Y129 W131 V281 N282R4-N45 WeakPolarHBondContact CD-OD1 3.45Å; R4-N45 WeakPolarHBondContact CG-OD1 3.46Å; R4-N45 PolarHBondContact NH1-ND2 3.21Å; R4-N45 PolarHBondContact NH1-OD1 3.13Å; R4-K46 WeakPolarHBondContact CA-O 3.35Å; R4-K46 WeakPolarHBondContact CD-O 3.39Å; R4-F128 WeakPolarHBondContact O-CA 3.5Å; R4-Y129 HydrophobicContact CB-CD2 3.85Å; R4-Y129 HydrophobicContact CB-CG 4.44Å; R4-Y129 HydrophobicContact CG-CD2 3.58Å; R4-Y129 HydrophobicContact CG-CE2 4.19Å; R4-Y129 HydrophobicContact CG-CG 4.42Å; R4-Y129 PolarHBondContact O-N 3.46Å; R4-W131 HydrophobicContact CB-CH2 3.77Å; R4-W131 HydrophobicContact CB-CZ3 4.03Å; R4-W131 HydrophobicContact CG-CH2 4.2Å; R4-V281 PolarHBondContact NH1-O 3.11Å; R4-N282 PolarHBondContact NH2-O 3.09Å; R4-N282 VanDerWaalsContact NH2-O 3.13Å
5T98.7Very high95.3Very high2 Ų228.5 Ų28.51%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-132.7164.717659.30000111.5N45 K46 W77 A125 G127 F128 M201T5-N45 CarbonylContact O-C 3.44Å; T5-K46 PolarHBondContact N-O 2.66Å; T5-K46 WeakPolarHBondContact O-CB 3.3Å; T5-K46 PolarHBondContact O-N 3.48Å; T5-K46 WeakPolarHBondContact OG1-CB 3.48Å; T5-W77 HydrophobicContact CG2-CH2 3.85Å; T5-W77 HydrophobicContact CG2-CZ3 3.92Å; T5-A125 HydrophobicContact CG2-CB 4.37Å; T5-G127 WeakPolarHBondContact CA-O 3.43Å; T5-G127 WeakPolarHBondContact CB-O 3.39Å; T5-F128 HydrophobicContact CG2-CB 3.94Å; T5-M201 HydrophobicContact CG2-CE 3.98Å
6A98.7Very high95.4Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-110.2142.216100000108.4Y44 A125 D126 G127 Y129 F142 L292A6-Y44 WeakPolarHBondContact CB-O 3.44Å; A6-A125 CarbonylContact O-C 3.55Å; A6-A125 WeakPolarHBondContact O-CA 3.34Å; A6-A125 WeakPolarHBondContact O-CB 3.34Å; A6-D126 HydrophobicContact CB-CB 4.28Å; A6-D126 PolarHBondContact O-N 2.72Å; A6-G127 PolarHBondContact N-O 2.81Å; A6-Y129 HydrophobicContact CB-CE2 4.2Å; A6-F142 HydrophobicContact CB-CE2 3.93Å; A6-F142 HydrophobicContact CB-CZ 4.37Å; A6-L292 HydrophobicContact CB-CD1 4.33Å; A6-L292 HydrophobicContact CB-CD2 3.76Å; A6-L292 HydrophobicContact CB-CG 4.44Å
7C98.4Very high95.4Very high0 Ų031.9 Ų31.90%018%0.175CC..EExtended strand (participates in β ladder)trans-151.594.2169.8-171.30000106.8Y40 P42 S43 K46 P53 D126C7-Y40 PolarHBondContact O-OH 3.06Å; C7-Y40 PolarHBondContact SG-OH 2.79Å; C7-P42 CarbonylContact O-C 3.57Å; C7-P42 VanDerWaalsContact O-CA 3.3Å; C7-P42 WeakPolarHBondContact O-CA 3.42Å; C7-S43 CarbonylContact C-O 3.55Å; C7-S43 PolarHBondContact N-O 3.46Å; C7-S43 PolarHBondContact O-N 2.93Å; C7-K46 HydrophobicContact CB-CG 4.46Å; C7-P53 VanDerWaalsContact SG-CG 3.53Å; C7-D126 WeakPolarHBondContact CA-OD2 3.28Å; C7-D126 PolarHBondContact N-OD2 2.95Å
8T98.3Very high95.5Very high40 Ų4030.6 Ų30.625%0.24517%0.168CC..  trans-103.6-16.6-163.6560000113.6P42 Y44 D126 L292T8-P42 WeakPolarHBondContact O-CB 3.46Å; T8-Y44 HydrophobicContact CG2-CD1 3.34Å; T8-Y44 HydrophobicContact CG2-CD2 4.19Å; T8-Y44 HydrophobicContact CG2-CE1 3.43Å; T8-Y44 VanDerWaalsContact CG2-CE1 3.43Å; T8-Y44 HydrophobicContact CG2-CE2 4.26Å; T8-Y44 HydrophobicContact CG2-CG 3.72Å; T8-D126 VanDerWaalsContact CB-OD2 3.23Å; T8-D126 WeakPolarHBondContact CB-OD2 3.41Å; T8-D126 WeakPolarHBondContact CG2-OD2 3.49Å; T8-D126 PolarHBondContact N-OD1 3.2Å; T8-D126 PolarHBondContact N-OD2 2.94Å; T8-D126 PolarHBondContact OG1-OD2 3.26Å; T8-L292 HydrophobicContact CG2-CD1 4.33Å
9L98.1Very high95.5Very high17 Ų1729.8 Ų29.89%0.08917%0.165CC..SBendtrans-62141.4176.2-64.6-169.7000111.9E13 V14 A17 Y40 P42 W193 L198L9-E13 HydrophobicContact CB-CB 3.83Å; L9-E13 HydrophobicContact CD1-CB 4.31Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; L9-E13 HydrophobicContact CG-CB 4.38Å; L9-V14 HydrophobicContact CB-CG2 3.76Å; L9-A17 HydrophobicContact CD1-CB 3.98Å; L9-Y40 WeakPolarHBondContact O-CE1 3.44Å; L9-Y40 PolarHBondContact O-OH 3.32Å; L9-P42 WeakPolarHBondContact O-CG 3.41Å; L9-W193 HydrophobicContact CD1-CH2 4.37Å; L9-W193 HydrophobicContact CD1-CZ2 3.83Å; L9-W193 HydrophobicContact CD2-CZ2 4.44Å; L9-L198 HydrophobicContact CD1-CD1 4.07Å; L9-L198 HydrophobicContact CD1-CD2 3.82Å; L9-L198 HydrophobicContact CD1-CG 4.04Å; L9-L198 HydrophobicContact CG-CD2 4.31Å
10A97.9Very high95.5Very high30 Ų3029.3 Ų29.325%0.24816%0.161CC..  trans-63.8160.2171.200000111.4D12 E13 V14A10-D12 VanDerWaalsContact C-N 3.28Å; A10-D12 VanDerWaalsContact CB-OD1 3.3Å; A10-D12 WeakPolarHBondContact CB-OD1 3.15Å; A10-D12 PolarHBondContact O-N 2.69Å; A10-E13 HydrophobicContact CB-CB 4.47Å; A10-E13 HydrophobicContact CB-CG 4.28Å; A10-E13 WeakPolarHBondContact CB-OE2 3.13Å; A10-E13 PolarHBondContact N-OE2 3.15Å; A10-E13 WeakPolarHBondContact O-CB 3.24Å; A10-E13 PolarHBondContact O-N 2.79Å; A10-V14 WeakPolarHBondContact O-CG2 3.27Å; A10-V14 PolarHBondContact O-N 2.88Å
11P97.8Very high95.3Very high37 Ų3734.5 Ų34.524%0.2418%0.178CC..Hα-helixtrans-53.7-40.7-178.1-25.331.9000114.3V14 S15 W32 A37 Y40P11-V14 PolarHBondContact O-N 2.73Å; P11-S15 PolarHBondContact O-N 2.86Å; P11-S15 VanDerWaalsContact O-N 3.13Å; P11-W32 HydrophobicContact CB-CZ2 3.95Å; P11-W32 PolarHBondContact O-NE1 3.37Å; P11-A37 HydrophobicContact CB-CB 4.46Å; P11-Y40 HydrophobicContact CB-CD1 4.36Å; P11-Y40 HydrophobicContact CG-CD1 3.97Å; P11-Y40 HydrophobicContact CG-CE1 4.45Å
12D96.6Very high96.2Very high79 Ų7930.8 Ų30.842%0.42216%0.16SC..Hα-helixtrans-69.5-37.6177.666.3-58.4000112.1A10 S15 R16A10-D12 VanDerWaalsContact C-N 3.28Å; A10-D12 VanDerWaalsContact CB-OD1 3.3Å; A10-D12 WeakPolarHBondContact CB-OD1 3.15Å; A10-D12 PolarHBondContact O-N 2.69Å; D12-S15 WeakPolarHBondContact O-CB 3.44Å; D12-S15 PolarHBondContact O-N 3.22Å; D12-R16 PolarHBondContact O-N 2.99Å; D12-R16 IonicContact OD2-CZ 3.44Å; D12-R16 IonicContact OD2-NH1 3.22Å; D12-R16 PolarHBondContact OD2-NH1 2.82Å; D12-R16 IonicContact OD2-NH2 3.83Å; D12-R16 PolarHBondContact OD2-NH2 3.11Å
13E97.5Very high96.4Very high64 Ų6436.7 Ų36.730%0.29918%0.182SC..Hα-helixtrans-65.5-40.8174-69.6179.5126.200112L9 A10 S15 R16 A17 W193L9-E13 HydrophobicContact CB-CB 3.83Å; L9-E13 HydrophobicContact CD1-CB 4.31Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; L9-E13 HydrophobicContact CG-CB 4.38Å; A10-E13 HydrophobicContact CB-CB 4.47Å; A10-E13 HydrophobicContact CB-CG 4.28Å; A10-E13 WeakPolarHBondContact CB-OE2 3.13Å; A10-E13 PolarHBondContact N-OE2 3.15Å; A10-E13 WeakPolarHBondContact O-CB 3.24Å; A10-E13 PolarHBondContact O-N 2.79Å; E13-S15 VanDerWaalsContact C-N 3.3Å; E13-S15 PolarHBondContact O-N 3.09Å; E13-R16 PolarHBondContact O-N 2.98Å; E13-A17 VanDerWaalsContact O-CB 3.24Å; E13-A17 WeakPolarHBondContact O-CB 3.37Å; E13-A17 PolarHBondContact O-N 2.64Å; E13-W193 HydrophobicContact CB-CH2 4.13Å; E13-W193 HydrophobicContact CG-CH2 4.35Å
14V98Very high96.1Very high0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-59.1-44.7172.9174.40000110.1L9 A10 P11 A17 C18 W32 Y40 P53 L72L9-V14 HydrophobicContact CB-CG2 3.76Å; A10-V14 WeakPolarHBondContact O-CG2 3.27Å; A10-V14 PolarHBondContact O-N 2.88Å; P11-V14 PolarHBondContact O-N 2.73Å; V14-A17 PolarHBondContact O-N 3.45Å; V14-C18 WeakPolarHBondContact O-CB 3.41Å; V14-C18 PolarHBondContact O-N 3.45Å; V14-C18 PolarHBondContact O-SG 2.82Å; V14-W32 HydrophobicContact CB-CZ2 4.19Å; V14-W32 HydrophobicContact CG1-CZ2 4.16Å; V14-Y40 HydrophobicContact CG2-CE1 3.96Å; V14-P53 HydrophobicContact CG1-CB 3.83Å; V14-P53 HydrophobicContact CG1-CG 4.18Å; V14-P53 HydrophobicContact CG2-CG 4.46Å; V14-L72 HydrophobicContact CG1-CD1 3.94Å; V14-L72 HydrophobicContact CG1-CD2 4.02Å
15S97.4Very high95.7Very high9 Ų939.3 Ų39.36%0.06322%0.219CC..Hα-helixtrans-58.4-48.4176177.60000112.1P11 D12 E13 C18 Q29 P30P11-S15 PolarHBondContact O-N 2.86Å; P11-S15 VanDerWaalsContact O-N 3.13Å; D12-S15 WeakPolarHBondContact O-CB 3.44Å; D12-S15 PolarHBondContact O-N 3.22Å; E13-S15 VanDerWaalsContact C-N 3.3Å; E13-S15 PolarHBondContact O-N 3.09Å; S15-C18 PolarHBondContact O-N 3.01Å; S15-Q29 WeakPolarHBondContact O-CG 3.23Å; S15-Q29 WeakPolarHBondContact OG-CG 3.22Å; S15-Q29 PolarHBondContact OG-NE2 2.79Å; S15-P30 PolarHBondContact OG-O 2.99Å
16R96.8Very high95.4Very high94 Ų9444.2 Ų44.236%0.35524%0.242SC..Hα-helixtrans-61.7-45.6176.3-69.9-169.7-67.2-92.70.1112.2D12 E13 C18 S19 W193D12-R16 PolarHBondContact O-N 2.99Å; D12-R16 IonicContact OD2-CZ 3.44Å; D12-R16 IonicContact OD2-NH1 3.22Å; D12-R16 PolarHBondContact OD2-NH1 2.82Å; D12-R16 IonicContact OD2-NH2 3.83Å; D12-R16 PolarHBondContact OD2-NH2 3.11Å; E13-R16 PolarHBondContact O-N 2.98Å; R16-C18 PolarHBondContact O-N 3.1Å; R16-S19 WeakPolarHBondContact O-CB 3.13Å; R16-S19 PolarHBondContact O-N 3.4Å; R16-S19 PolarHBondContact O-OG 3.45Å; R16-W193 HydrophobicContact CB-CE3 3.75Å; R16-W193 HydrophobicContact CB-CZ3 4.06Å
17A96.4Very high95.2Very high21 Ų2147.2 Ų47.217%0.17425%0.254CS..Hα-helixtrans-65.6-21.8179.800000113.8L9 E13 V14 W193 L198L9-A17 HydrophobicContact CD1-CB 3.98Å; E13-A17 VanDerWaalsContact O-CB 3.24Å; E13-A17 WeakPolarHBondContact O-CB 3.37Å; E13-A17 PolarHBondContact O-N 2.64Å; V14-A17 PolarHBondContact O-N 3.45Å; A17-W193 HydrophobicContact CB-CD2 3.98Å; A17-W193 HydrophobicContact CB-CG 4.2Å; A17-W193 HydrophobicContact CB-CZ2 3.99Å; A17-L198 HydrophobicContact CB-CD1 3.67Å; A17-L198 HydrophobicContact CB-CG 4.16Å
18C96.8Very high95Very high8 Ų851.5 Ų51.55%0.05427%0.27CS..THydrogen-bonded Turntrans-96.314.7177.8-61.60000113.5V14 S15 R16 Y20 P30 M124V14-C18 WeakPolarHBondContact O-CB 3.41Å; V14-C18 PolarHBondContact O-N 3.45Å; V14-C18 PolarHBondContact O-SG 2.82Å; S15-C18 PolarHBondContact O-N 3.01Å; R16-C18 PolarHBondContact O-N 3.1Å; C18-Y20 PolarHBondContact O-N 3.26Å; C18-P30 HydrophobicContact CB-CG 3.56Å; C18-P30 VanDerWaalsContact O-CD 3.22Å; C18-P30 WeakPolarHBondContact O-CD 3.14Å; C18-P30 WeakPolarHBondContact O-CG 3.36Å; C18-M124 WeakPolarHBondContact SG-CE 3.43Å
19S95.6Very high94.9Very high16 Ų1653.4 Ų53.411%0.11228%0.276CS..  trans-57.1138.3174.4-60.10000110.7R16 R28R16-S19 WeakPolarHBondContact O-CB 3.13Å; R16-S19 PolarHBondContact O-N 3.4Å; R16-S19 PolarHBondContact O-OG 3.45Å; S19-R28 CarbonylContact C-O 3.55Å; S19-R28 VanDerWaalsContact CA-O 3.23Å; S19-R28 WeakPolarHBondContact CA-O 3.46Å
20Y94.5Very high94.8Very high20 Ų2052.7 Ų52.78%0.07827%0.272CS..EExtended strand (participates in β ladder)trans-141.6165.9-174.966.7-80.6000110.5C18 N22 R28 P30 D68 E69 C70C18-Y20 PolarHBondContact O-N 3.26Å; Y20-N22 HydrophobicContact CE2-CB 4.24Å; Y20-R28 HydrophobicContact CD1-CB 4.19Å; Y20-R28 HydrophobicContact CD2-CB 4.4Å; Y20-R28 HydrophobicContact CE1-CB 3.66Å; Y20-R28 HydrophobicContact CE2-CB 3.88Å; Y20-R28 HydrophobicContact CE2-CG 4.21Å; Y20-R28 VanDerWaalsContact CZ-CB 3.45Å; Y20-R28 PolarHBondContact N-O 3.37Å; Y20-R28 PolarHBondContact O-N 3.05Å; Y20-P30 HydrophobicContact CE1-CB 4.2Å; Y20-P30 HydrophobicContact CE1-CG 4.46Å; Y20-D68 VanDerWaalsContact CE2-O 3.32Å; Y20-D68 WeakPolarHBondContact CE2-O 3.43Å; Y20-E69 WeakPolarHBondContact OH-CA 3.47Å; Y20-E69 PolarHBondContact OH-OE2 2.84Å; Y20-C70 HydrophobicContact CD1-CB 4.38Å; Y20-C70 HydrophobicContact CE1-CB 3.73Å; Y20-C70 HydrophobicContact CE2-CB 4.42Å; Y20-C70 PolarHBondContact OH-N 3.41Å
21R93.2Very high94.8Very high139 Ų13961.3 Ų61.353%0.52530%0.298SS..EExtended strand (participates in β ladder)trans-96.3129.6165.4-69.5177.6175.2149.1-1.1110.9Q26 E245R21-Q26 WeakPolarHBondContact CA-O 3.4Å; R21-E245 PolarHBondContact N-OE2 3.31Å
22N91.6Very high94.8Very high15 Ų1561.3 Ų61.38%0.0829%0.293CS..  trans-71.2177.8168.972.79.2000110.5Y20 G24 G25 Q26 R28 E69Y20-N22 HydrophobicContact CE2-CB 4.24Å; N22-G24 PolarHBondContact O-N 3.42Å; N22-G24 WeakPolarHBondContact OD1-CA 3.08Å; N22-G24 PolarHBondContact OD1-N 3.21Å; N22-G24 VanDerWaalsContact OD1-N 3.11Å; N22-G25 PolarHBondContact O-N 3.37Å; N22-G25 PolarHBondContact OD1-N 3.3Å; N22-Q26 PolarHBondContact N-O 3.47Å; N22-Q26 WeakPolarHBondContact OD1-CB 3.3Å; N22-Q26 PolarHBondContact OD1-N 3.13Å; N22-Q26 PolarHBondContact OD1-O 2.88Å; N22-R28 HydrophobicContact CB-CG 4.24Å; N22-R28 PolarHBondContact ND2-NH2 2.94Å; N22-E69 PolarHBondContact ND2-OE1 2.73Å; N22-E69 VanDerWaalsContact ND2-OE1 3.13Å
23R87.8Confident94.9Very high123 Ų12360.7 Ų60.746%0.46429%0.285SS..THydrogen-bonded Turntrans-61.1-29.5-178.1-168.6-177.3-58.3177.17.7112.7G25 D68 D253 E256R23-G25 PolarHBondContact O-N 2.84Å; R23-D68 HydrophobicContact CB-CB 4.48Å; R23-D68 WeakPolarHBondContact CB-OD2 3.48Å; R23-D68 PolarHBondContact N-OD2 3.14Å; R23-D253 IonicContact CZ-OD2 3.4Å; R23-D253 IonicContact NH2-OD1 3.67Å; R23-D253 IonicContact NH2-OD2 2.56Å; R23-D253 PolarHBondContact NH2-OD2 2.8Å; R23-E256 VanDerWaalsContact CZ-CG 3.49Å; R23-E256 IonicContact CZ-OE1 3.9Å; R23-E256 IonicContact NH1-OE1 3.36Å; R23-E256 PolarHBondContact NH1-OE1 3.01Å; R23-E256 IonicContact NH2-OE1 2.79Å
24G89.9Confident94.7Very high67 Ų6765.1 Ų65.169%0.69131%0.311SS*.THydrogen-bonded Turntrans-75.21.2173.600000114.3N22 Q26N22-G24 PolarHBondContact O-N 3.42Å; N22-G24 WeakPolarHBondContact OD1-CA 3.08Å; N22-G24 PolarHBondContact OD1-N 3.21Å; N22-G24 VanDerWaalsContact OD1-N 3.11Å; G24-Q26 PolarHBondContact O-N 3.47Å
25G90.6Very high94.4Very high44 Ų4467 Ų6745%0.45433%0.33SS..  trans77.51.1-177.700000114.1N22 R23N22-G25 PolarHBondContact O-N 3.37Å; N22-G25 PolarHBondContact OD1-N 3.3Å; R23-G25 PolarHBondContact O-N 2.84Å
26Q92Very high94.4Very high105 Ų10566.7 Ų66.749%0.49133%0.328SS..  trans-73.7132.3179.5-62.8-179.4-16.300109.7R21 N22 G24 R28R21-Q26 WeakPolarHBondContact CA-O 3.4Å; N22-Q26 PolarHBondContact N-O 3.47Å; N22-Q26 WeakPolarHBondContact OD1-CB 3.3Å; N22-Q26 PolarHBondContact OD1-N 3.13Å; N22-Q26 PolarHBondContact OD1-O 2.88Å; G24-Q26 PolarHBondContact O-N 3.47Å; Q26-R28 PolarHBondContact O-N 3.19Å
27R93.4Very high94.3Very high64 Ų6463.6 Ų63.624%0.24232%0.322CS..EExtended strand (participates in β ladder)trans-70.7129.6174.6-175.8169.4-90.8-90.9-11109.3P190 E245R27-P190 WeakPolarHBondContact CD-O 3.43Å; R27-P190 HydrophobicContact CG-CG 3.92Å; R27-E245 IonicContact NH2-OE1 3.59Å
28R94.9Very high94.3Very high90 Ų9068.1 Ų68.134%0.3434%0.344SS..EExtended strand (participates in β ladder)trans-126.5147.1-179.5-67.1-63.7-164.9-132.6-5.6109.2S19 Y20 N22 Q26 E69S19-R28 CarbonylContact C-O 3.55Å; S19-R28 VanDerWaalsContact CA-O 3.23Å; S19-R28 WeakPolarHBondContact CA-O 3.46Å; Y20-R28 HydrophobicContact CD1-CB 4.19Å; Y20-R28 HydrophobicContact CD2-CB 4.4Å; Y20-R28 HydrophobicContact CE1-CB 3.66Å; Y20-R28 HydrophobicContact CE2-CB 3.88Å; Y20-R28 HydrophobicContact CE2-CG 4.21Å; Y20-R28 VanDerWaalsContact CZ-CB 3.45Å; Y20-R28 PolarHBondContact N-O 3.37Å; Y20-R28 PolarHBondContact O-N 3.05Å; N22-R28 HydrophobicContact CB-CG 4.24Å; N22-R28 PolarHBondContact ND2-NH2 2.94Å; Q26-R28 PolarHBondContact O-N 3.19Å; R28-E69 IonicContact CZ-OE1 2.72Å; R28-E69 IonicContact NE-OE1 3.21Å; R28-E69 PolarHBondContact NE-OE1 3.14Å; R28-E69 IonicContact NE-OE2 2.8Å; R28-E69 IonicContact NH2-OE1 2.77Å; R28-E69 PolarHBondContact NH2-OE1 3.05Å
29Q96.1Very high94.3Very high80 Ų8071 Ų7137%0.37436%0.355SS..  trans-115.6118.2170.3-174.5-177.5-27.700107.6S15 R31S15-Q29 WeakPolarHBondContact O-CG 3.23Å; S15-Q29 WeakPolarHBondContact OG-CG 3.22Å; S15-Q29 PolarHBondContact OG-NE2 2.79Å; Q29-R31 PolarHBondContact O-N 3.21Å
30P97Very high94.4Very high1 Ų170.3 Ų70.31%0.00635%0.35CS..PPolyproline II helixtrans-68.8127.8-176.528.2-33.6000109.8S15 C18 Y20 L55 C70 L72S15-P30 PolarHBondContact OG-O 2.99Å; C18-P30 HydrophobicContact CB-CG 3.56Å; C18-P30 VanDerWaalsContact O-CD 3.22Å; C18-P30 WeakPolarHBondContact O-CD 3.14Å; C18-P30 WeakPolarHBondContact O-CG 3.36Å; Y20-P30 HydrophobicContact CE1-CB 4.2Å; Y20-P30 HydrophobicContact CE1-CG 4.46Å; P30-L55 HydrophobicContact CB-CD1 3.66Å; P30-L55 HydrophobicContact CG-CD1 3.75Å; P30-C70 WeakPolarHBondContact CB-O 3.22Å; P30-L72 HydrophobicContact CB-CG 4.24Å; P30-L72 HydrophobicContact CG-CD1 4.25Å; P30-L72 HydrophobicContact CG-CG 4.19Å
31R97.3Very high94.6Very high211 Ų21177.2 Ų77.280%0.79638%0.376SS*.PPolyproline II helixtrans-78.9156.9171.6-65.8-176.3179.5173.30.1109.8Q29 V71 L72Q29-R31 PolarHBondContact O-N 3.21Å; R31-V71 WeakPolarHBondContact O-CG2 3.28Å; R31-L72 PolarHBondContact O-N 2.93Å
32W98.4Very high94.8Very high37 Ų3773 Ų7314%0.1437%0.367CS..BIsolated β-bridgetrans-72.2141.1166.8-72.887.4000109.8P11 V14 D36 A37 Y40 P53 L72P11-W32 HydrophobicContact CB-CZ2 3.95Å; P11-W32 PolarHBondContact O-NE1 3.37Å; V14-W32 HydrophobicContact CB-CZ2 4.19Å; V14-W32 HydrophobicContact CG1-CZ2 4.16Å; W32-D36 HydrophobicContact CE3-CB 4.3Å; W32-A37 HydrophobicContact CB-CB 3.96Å; W32-A37 HydrophobicContact CD2-CB 3.96Å; W32-A37 HydrophobicContact CE3-CB 4.31Å; W32-A37 HydrophobicContact CG-CB 3.81Å; W32-Y40 AromaticContact CH2-CD1 3.53Å; W32-Y40 HydrophobicContact CH2-CD1 3.53Å; W32-Y40 HydrophobicContact CH2-CE1 4.39Å; W32-Y40 AromaticContact CH2-CG 3.71Å; W32-Y40 HydrophobicContact CH2-CG 3.71Å; W32-Y40 AromaticContact CZ2-CD1 3.81Å; W32-Y40 HydrophobicContact CZ2-CD1 3.81Å; W32-Y40 HydrophobicContact CZ2-CE1 4.44Å; W32-Y40 HydrophobicContact CZ2-CG 4.44Å; W32-Y40 HydrophobicContact CZ3-CG 4.48Å; W32-P53 HydrophobicContact CH2-CB 3.75Å; W32-P53 HydrophobicContact CZ2-CB 4.39Å; W32-P53 HydrophobicContact CZ3-CB 4.48Å; W32-L72 CarbonylContact C-O 3.58Å; W32-L72 WeakPolarHBondContact CA-O 3.14Å; W32-L72 HydrophobicContact CD2-CB 3.78Å; W32-L72 HydrophobicContact CD2-CD1 4.33Å; W32-L72 HydrophobicContact CE3-CB 3.9Å; W32-L72 HydrophobicContact CG-CB 4.13Å; W32-L72 HydrophobicContact CZ2-CD1 4.26Å; W32-L72 HydrophobicContact CZ3-CB 4.4Å
33R96.9Very high95.1Very high67 Ų6773 Ų7325%0.25337%0.368SS..PPolyproline II helixtrans-61.9144.7165177.2173.5169.5-110.4-0.8109.4G35 D36 V71 L72R33-G35 PolarHBondContact O-N 2.86Å; R33-D36 HydrophobicContact CB-CB 4.26Å; R33-D36 IonicContact NH1-OD1 3.57Å; R33-D36 IonicContact NH1-OD2 2.86Å; R33-D36 PolarHBondContact NH1-OD2 3.33Å; R33-D36 WeakPolarHBondContact O-CB 3.49Å; R33-D36 PolarHBondContact O-N 3.03Å; R33-V71 HydrophobicContact CB-CG2 4.03Å; R33-L72 PolarHBondContact N-O 3.27Å
34D93.5Very high95.7Very high156 Ų15670.6 Ų70.683%0.83436%0.36SS*.THydrogen-bonded Turntrans-51.6126.5-176.7-62.7-22.5000112.3D36D34-D36 PolarHBondContact O-N 2.94Å
35G93.4Very high96.1Very high40 Ų4067.6 Ų67.641%0.41233%0.328SS..THydrogen-bonded Turntrans74.5-10.2-178.400000115.9R33R33-G35 PolarHBondContact O-N 2.86Å
36D96.1Very high96.4Very high2 Ų266 Ų661%0.01131%0.308CS..Hα-helixtrans-77.7-26.7-177.7-79-7.8000112.6W32 R33 D34 D38 K39 Y40 S74W32-D36 HydrophobicContact CE3-CB 4.3Å; R33-D36 HydrophobicContact CB-CB 4.26Å; R33-D36 IonicContact NH1-OD1 3.57Å; R33-D36 IonicContact NH1-OD2 2.86Å; R33-D36 PolarHBondContact NH1-OD2 3.33Å; R33-D36 WeakPolarHBondContact O-CB 3.49Å; R33-D36 PolarHBondContact O-N 3.03Å; D34-D36 PolarHBondContact O-N 2.94Å; D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 2.72Å; D36-K39 PolarHBondContact O-N 3.23Å; D36-K39 WeakPolarHBondContact OD1-CD 3.3Å; D36-K39 WeakPolarHBondContact OD1-CE 3.41Å; D36-K39 IonicContact OD1-NZ 2.73Å; D36-K39 PolarHBondContact OD1-NZ 2.76Å; D36-Y40 PolarHBondContact O-N 2.84Å; D36-S74 WeakPolarHBondContact O-CB 3.19Å; D36-S74 PolarHBondContact OD2-N 3.47Å
37A96Very high96.6Very high29 Ų2962.9 Ų62.924%0.2430%0.298CS..Hα-helixtrans-58.1-39.9172.800000112P11 W32 K39 Y40P11-A37 HydrophobicContact CB-CB 4.46Å; W32-A37 HydrophobicContact CB-CB 3.96Å; W32-A37 HydrophobicContact CD2-CB 3.96Å; W32-A37 HydrophobicContact CE3-CB 4.31Å; W32-A37 HydrophobicContact CG-CB 3.81Å; A37-K39 VanDerWaalsContact C-N 3.3Å; A37-K39 PolarHBondContact O-N 3.18Å; A37-Y40 PolarHBondContact O-N 2.8Å
38D96.3Very high96.6Very high116 Ų11663.1 Ų63.162%0.6230%0.304SS*.Hα-helixtrans-71.9-24.5-179.4-64-41.9000113.6D36 R41D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 2.72Å; D38-R41 PolarHBondContact O-NH2 2.99Å
39K96.4Very high96.4Very high68 Ų6864.7 Ų64.730%0.29632%0.315SS..Hα-helixtrans-76.9-25.6175.8-62.7173.8-168.4167.60111.6D36 A37 M51 E215D36-K39 PolarHBondContact O-N 3.23Å; D36-K39 WeakPolarHBondContact OD1-CD 3.3Å; D36-K39 WeakPolarHBondContact OD1-CE 3.41Å; D36-K39 IonicContact OD1-NZ 2.73Å; D36-K39 PolarHBondContact OD1-NZ 2.76Å; A37-K39 VanDerWaalsContact C-N 3.3Å; A37-K39 PolarHBondContact O-N 3.18Å; K39-M51 HydrophobicContact CB-CE 4.33Å; K39-M51 HydrophobicContact CD-CE 4.47Å; K39-M51 WeakPolarHBondContact O-CB 3.21Å; K39-E215 IonicContact NZ-OE1 4Å; K39-E215 PolarHBondContact NZ-OE1 3.43Å
40Y97.6Very high96.4Very high2 Ų262 Ų621%0.00831%0.305CS..  trans-80.7131.8177.9172-124.6000111.3C7 L9 P11 V14 W32 D36 A37 P42 P53 S74C7-Y40 PolarHBondContact O-OH 3.06Å; C7-Y40 PolarHBondContact SG-OH 2.79Å; L9-Y40 WeakPolarHBondContact O-CE1 3.44Å; L9-Y40 PolarHBondContact O-OH 3.32Å; P11-Y40 HydrophobicContact CB-CD1 4.36Å; P11-Y40 HydrophobicContact CG-CD1 3.97Å; P11-Y40 HydrophobicContact CG-CE1 4.45Å; V14-Y40 HydrophobicContact CG2-CE1 3.96Å; W32-Y40 AromaticContact CH2-CD1 3.53Å; W32-Y40 HydrophobicContact CH2-CD1 3.53Å; W32-Y40 HydrophobicContact CH2-CE1 4.39Å; W32-Y40 AromaticContact CH2-CG 3.71Å; W32-Y40 HydrophobicContact CH2-CG 3.71Å; W32-Y40 AromaticContact CZ2-CD1 3.81Å; W32-Y40 HydrophobicContact CZ2-CD1 3.81Å; W32-Y40 HydrophobicContact CZ2-CE1 4.44Å; W32-Y40 HydrophobicContact CZ2-CG 4.44Å; W32-Y40 HydrophobicContact CZ3-CG 4.48Å; D36-Y40 PolarHBondContact O-N 2.84Å; A37-Y40 PolarHBondContact O-N 2.8Å; Y40-P42 HydrophobicContact CE1-CG 3.92Å; Y40-P53 HydrophobicContact CD2-CG 4.31Å; Y40-P53 VanDerWaalsContact CE2-CD 3.48Å; Y40-P53 HydrophobicContact CE2-CG 3.96Å; Y40-S74 PolarHBondContact N-OG 2.77Å
41R97.6Very high96.5Very high165 Ų16564.1 Ų64.162%0.62332%0.316SS*.  trans-125.5117.4173.5-60.4-64.2170.7-169.5-8.1109.2D38 K46D38-R41 PolarHBondContact O-NH2 2.99Å; R41-K46 PolarHBondContact O-NZ 3.29Å
42P98.3Very high96.5Very high51 Ų5154.1 Ų54.133%0.33128%0.278SS..  trans-58.6142.1174-22.932.7000111.3C7 T8 L9 Y40C7-P42 CarbonylContact O-C 3.57Å; C7-P42 VanDerWaalsContact O-CA 3.3Å; C7-P42 WeakPolarHBondContact O-CA 3.42Å; T8-P42 WeakPolarHBondContact O-CB 3.46Å; L9-P42 WeakPolarHBondContact O-CG 3.41Å; Y40-P42 HydrophobicContact CE1-CG 3.92Å
43S98.6Very high96.6Very high16 Ų1652.3 Ų52.311%0.11227%0.271CS..EExtended strand (participates in β ladder)trans-162.6143.7176.7169.10000111.6C7 N45 N287C7-S43 CarbonylContact C-O 3.55Å; C7-S43 PolarHBondContact N-O 3.46Å; C7-S43 PolarHBondContact O-N 2.93Å; S43-N45 PolarHBondContact O-N 3.41Å; S43-N45 PolarHBondContact OG-N 2.88Å; S43-N287 VanDerWaalsContact CA-OD1 3.23Å; S43-N287 WeakPolarHBondContact CA-OD1 3.38Å; S43-N287 VanDerWaalsContact CB-OD1 3.29Å; S43-N287 WeakPolarHBondContact CB-OD1 3.43Å; S43-N287 PolarHBondContact OG-OD1 3.39Å
44Y98.7Very high96.6Very high72 Ų7249.1 Ų49.128%0.28226%0.259SS..EExtended strand (participates in β ladder)trans-68.6-13.6171.7-62.5-87.1000112.8A6 T8 Y129 N287 S288 P289 L292A6-Y44 WeakPolarHBondContact CB-O 3.44Å; T8-Y44 HydrophobicContact CG2-CD1 3.34Å; T8-Y44 HydrophobicContact CG2-CD2 4.19Å; T8-Y44 HydrophobicContact CG2-CE1 3.43Å; T8-Y44 VanDerWaalsContact CG2-CE1 3.43Å; T8-Y44 HydrophobicContact CG2-CE2 4.26Å; T8-Y44 HydrophobicContact CG2-CG 3.72Å; Y44-Y129 WeakPolarHBondContact O-CE2 3.45Å; Y44-Y129 PolarHBondContact O-OH 3.06Å; Y44-N287 PolarHBondContact N-OD1 2.92Å; Y44-S288 VanDerWaalsContact CB-O 3.27Å; Y44-S288 WeakPolarHBondContact CB-O 3.42Å; Y44-S288 VanDerWaalsContact CD2-C 3.44Å; Y44-S288 VanDerWaalsContact CG-C 3.42Å; Y44-P289 HydrophobicContact CE1-CB 4.08Å; Y44-P289 HydrophobicContact CE1-CG 4.06Å; Y44-P289 HydrophobicContact CE2-CG 4.13Å; Y44-L292 HydrophobicContact CD1-CD1 3.51Å; Y44-L292 HydrophobicContact CD1-CG 3.98Å; Y44-L292 HydrophobicContact CE1-CD1 3.96Å
45N98.4Very high96.9Very high3 Ų342 Ų422%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-147.760.6-167.8-157.9-0.5000113R4 T5 S43 S47 V281 N283 N286R4-N45 WeakPolarHBondContact CD-OD1 3.45Å; R4-N45 WeakPolarHBondContact CG-OD1 3.46Å; R4-N45 PolarHBondContact NH1-ND2 3.21Å; R4-N45 PolarHBondContact NH1-OD1 3.13Å; T5-N45 CarbonylContact O-C 3.44Å; S43-N45 PolarHBondContact O-N 3.41Å; S43-N45 PolarHBondContact OG-N 2.88Å; N45-S47 PolarHBondContact O-N 3.34Å; N45-V281 PolarHBondContact ND2-O 2.78Å; N45-N283 PolarHBondContact ND2-O 2.82Å; N45-N283 VanDerWaalsContact ND2-O 3.13Å; N45-N286 WeakPolarHBondContact CB-O 3.47Å; N45-N286 PolarHBondContact ND2-O 2.8Å
46K97.9Very high97.1Very high12 Ų1240 Ų405%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-68.9122.5177.7-54.5-69.2-71.3-171.70110.3R4 T5 C7 R41 S50 M51R4-K46 WeakPolarHBondContact CA-O 3.35Å; R4-K46 WeakPolarHBondContact CD-O 3.39Å; T5-K46 PolarHBondContact N-O 2.66Å; T5-K46 WeakPolarHBondContact O-CB 3.3Å; T5-K46 PolarHBondContact O-N 3.48Å; T5-K46 WeakPolarHBondContact OG1-CB 3.48Å; C7-K46 HydrophobicContact CB-CG 4.46Å; R41-K46 PolarHBondContact O-NZ 3.29Å; K46-S50 WeakPolarHBondContact CE-OG 3.35Å; K46-M51 WeakPolarHBondContact CE-O 3.36Å; K46-M51 PolarHBondContact NZ-O 3.13Å
47S95.5Very high97.2Very high39 Ų3940 Ų4027%0.27320%0.2SC..EExtended strand (participates in β ladder)trans-102.5175.5174.366.30000112.5N45 S50N45-S47 PolarHBondContact O-N 3.34Å; S47-S50 VanDerWaalsContact O-CB 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.19Å; S47-S50 PolarHBondContact O-N 2.62Å; S47-S50 PolarHBondContact O-OG 2.87Å
48L93Very high97.2Very high69 Ų6942 Ų4236%0.36121%0.205SC..THydrogen-bonded Turntrans-47.8149.7166.2-54.3-173.1000110.9S50 W77L48-S50 PolarHBondContact O-N 2.86Å; L48-S50 VanDerWaalsContact O-N 3.14Å; L48-W77 HydrophobicContact CD2-CD2 3.89Å; L48-W77 HydrophobicContact CD2-CE3 4.37Å; L48-W77 HydrophobicContact CD2-CG 4.28Å; L48-W77 HydrophobicContact CD2-CZ2 4.05Å
49Q92.6Very high97.2Very high122 Ų12240.5 Ų40.557%0.5719%0.191SC*.THydrogen-bonded Turntrans68.8-5-178.8-43-179.8-13.400115.3W77Q49-W77 VanDerWaalsContact CA-O 3.25Å; Q49-W77 WeakPolarHBondContact CA-O 3.45Å; Q49-W77 PolarHBondContact N-O 3.4Å
50S95.9Very high97.2Very high25 Ų2539.5 Ų39.518%0.17519%0.187CC..  trans-75.4159171.772.60000112.1K46 S47 L48 W77K46-S50 WeakPolarHBondContact CE-OG 3.35Å; S47-S50 VanDerWaalsContact O-CB 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.19Å; S47-S50 PolarHBondContact O-N 2.62Å; S47-S50 PolarHBondContact O-OG 2.87Å; L48-S50 PolarHBondContact O-N 2.86Å; L48-S50 VanDerWaalsContact O-N 3.14Å; S50-W77 PolarHBondContact O-N 2.95Å
51M97.9Very high97.1Very high45 Ų4542.3 Ų42.322%0.22220%0.199CC..EExtended strand (participates in β ladder)trans-87.7125.3175.5-61.2-59.7-71.800110.4K39 K46 S74 M75 R76K39-M51 HydrophobicContact CB-CE 4.33Å; K39-M51 HydrophobicContact CD-CE 4.47Å; K39-M51 WeakPolarHBondContact O-CB 3.21Å; K46-M51 WeakPolarHBondContact CE-O 3.36Å; K46-M51 PolarHBondContact NZ-O 3.13Å; M51-S74 VanDerWaalsContact CE-C 3.47Å; M51-S74 WeakPolarHBondContact CE-O 3.4Å; M51-M75 WeakPolarHBondContact CA-O 3.48Å; M51-R76 VanDerWaalsContact SD-CA 3.58Å; M51-R76 HydrophobicContact SD-CB 3.65Å; M51-R76 HydrophobicContact SD-CG 4.44Å
52S98.4Very high97Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-123.8151.2-179.3-59.90000111V54 M75 Y220S52-V54 PolarHBondContact O-N 3.09Å; S52-M75 PolarHBondContact N-O 2.8Å; S52-M75 PolarHBondContact O-N 3.34Å; S52-Y220 WeakPolarHBondContact CB-OH 3.49Å; S52-Y220 PolarHBondContact OG-OH 2.85Å; S52-Y220 VanDerWaalsContact OG-OH 3.1Å
53P98.7Very high96.7Very high0 Ų044.2 Ų44.20%021%0.21CC..EExtended strand (participates in β ladder)trans-69130.2173.122.7-22.5000109.5C7 V14 W32 Y40 L72 M124C7-P53 VanDerWaalsContact SG-CG 3.53Å; V14-P53 HydrophobicContact CG1-CB 3.83Å; V14-P53 HydrophobicContact CG1-CG 4.18Å; V14-P53 HydrophobicContact CG2-CG 4.46Å; W32-P53 HydrophobicContact CH2-CB 3.75Å; W32-P53 HydrophobicContact CZ2-CB 4.39Å; W32-P53 HydrophobicContact CZ3-CB 4.48Å; Y40-P53 HydrophobicContact CD2-CG 4.31Å; Y40-P53 VanDerWaalsContact CE2-CD 3.48Å; Y40-P53 HydrophobicContact CE2-CG 3.96Å; P53-L72 HydrophobicContact CB-CD2 4.49Å; P53-M124 HydrophobicContact CB-CB 4.38Å; P53-M124 HydrophobicContact CG-CB 4.15Å; P53-M124 PolarHBondContact O-N 3.13Å
54V98.8Very high96.6Very high0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-127.1139.4170-500000109.8S52 L72 A73 M75 C121 V122 I123 Y220S52-V54 PolarHBondContact O-N 3.09Å; V54-L72 WeakPolarHBondContact O-CA 3.13Å; V54-A73 HydrophobicContact CG2-CB 4.18Å; V54-A73 PolarHBondContact N-O 2.88Å; V54-A73 PolarHBondContact O-N 3.15Å; V54-M75 HydrophobicContact CG1-CB 4.23Å; V54-M75 HydrophobicContact CG2-CB 4.15Å; V54-M75 HydrophobicContact CG2-CE 3.64Å; V54-M75 HydrophobicContact CG2-CG 3.57Å; V54-M75 HydrophobicContact CG2-SD 3.58Å; V54-M75 VanDerWaalsContact CG2-SD 3.58Å; V54-C121 HydrophobicContact CB-CB 4.22Å; V54-C121 HydrophobicContact CG2-CB 4.25Å; V54-V122 CarbonylContact C-O 3.6Å; V54-V122 WeakPolarHBondContact CA-O 3.29Å; V54-I123 HydrophobicContact CG1-CB 4.47Å; V54-I123 HydrophobicContact CG1-CG1 4.1Å; V54-Y220 HydrophobicContact CG1-CD1 4.08Å; V54-Y220 HydrophobicContact CG1-CE1 4.26Å
55L98.6Very high96.4Very high5 Ų546.3 Ų46.33%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-86.7135.3168.1-164.267.9000108.7P30 C70 L72 C121 V122 M124 V248 L252P30-L55 HydrophobicContact CB-CD1 3.66Å; P30-L55 HydrophobicContact CG-CD1 3.75Å; L55-C70 HydrophobicContact CD1-CB 3.69Å; L55-C70 HydrophobicContact CD2-CB 4.26Å; L55-C70 HydrophobicContact CG-CB 3.87Å; L55-L72 HydrophobicContact CD1-CD2 4.2Å; L55-L72 HydrophobicContact CD1-CG 4.35Å; L55-C121 CarbonylContact O-C 3.5Å; L55-C121 WeakPolarHBondContact O-CA 3.34Å; L55-V122 HydrophobicContact CB-CB 4.28Å; L55-V122 PolarHBondContact N-O 3.06Å; L55-V122 PolarHBondContact O-N 3.21Å; L55-M124 HydrophobicContact CB-SD 4.44Å; L55-V248 HydrophobicContact CD2-CG1 4.06Å; L55-L252 HydrophobicContact CB-CD1 4.15Å; L55-L252 HydrophobicContact CD2-CD1 3.67Å; L55-L252 HydrophobicContact CG-CD1 3.7Å; L55-L252 WeakPolarHBondContact O-CD2 3.21Å
56V98.1Very high96.2Very high0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans-150.6150.8-17656.50000109.7Q58 F61 C70 V71 A73 M75 C121 F205V56-Q58 PolarHBondContact O-N 2.82Å; V56-F61 HydrophobicContact CG1-CE2 3.69Å; V56-F61 HydrophobicContact CG1-CZ 4.26Å; V56-C70 WeakPolarHBondContact O-CA 3.28Å; V56-V71 HydrophobicContact CG1-CG1 3.85Å; V56-V71 PolarHBondContact N-O 2.87Å; V56-V71 VanDerWaalsContact N-O 3.09Å; V56-V71 PolarHBondContact O-N 3.13Å; V56-A73 HydrophobicContact CG1-CB 4.05Å; V56-M75 HydrophobicContact CG1-CE 4.31Å; V56-C121 HydrophobicContact CB-CB 4.48Å; V56-F205 HydrophobicContact CG2-CD1 4.43Å; V56-F205 HydrophobicContact CG2-CE1 3.55Å; V56-F205 HydrophobicContact CG2-CZ 3.86Å
57S97.6Very high96Very high0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-59.2129.2174.1174.80000110.6R59 H60 V67S57-R59 PolarHBondContact O-N 3.45Å; S57-R59 VanDerWaalsContact O-N 3.14Å; S57-R59 PolarHBondContact OG-N 3.27Å; S57-H60 PolarHBondContact O-CD2 3.35Å; S57-H60 PolarHBondContact O-N 2.94Å; S57-V67 WeakPolarHBondContact CB-O 3.25Å; S57-V67 PolarHBondContact OG-O 2.9Å
58Q96.9Very high95.8Very high73 Ų7349 Ų4934%0.34125%0.247SC..G310 helixtrans-59.6-25177.4-175.7173.5-11.900111.7V56 H60 F61 D62 A65 E69 V71V56-Q58 PolarHBondContact O-N 2.82Å; Q58-H60 PolarHBondContact O-N 2.71Å; Q58-F61 PolarHBondContact O-N 3.06Å; Q58-D62 PolarHBondContact O-N 2.88Å; Q58-A65 HydrophobicContact CB-CB 4.11Å; Q58-A65 HydrophobicContact CG-CB 3.79Å; Q58-E69 WeakPolarHBondContact CB-O 3.41Å; Q58-E69 PolarHBondContact N-O 3.25Å; Q58-V71 HydrophobicContact CB-CB 4.4Å; Q58-V71 HydrophobicContact CB-CG1 4.42Å
59R96.2Very high96Very high84 Ų8447 Ų4732%0.31724%0.235SC..G310 helixtrans-61.5-16.4178.8-162.5161.276.7156.6-1.9114.6S57 F61 D62 A65 V67 F254S57-R59 PolarHBondContact O-N 3.45Å; S57-R59 VanDerWaalsContact O-N 3.14Å; S57-R59 PolarHBondContact OG-N 3.27Å; R59-F61 VanDerWaalsContact C-N 3.25Å; R59-F61 PolarHBondContact O-N 3.48Å; R59-D62 VanDerWaalsContact CA-O 3.3Å; R59-D62 WeakPolarHBondContact CA-O 3.4Å; R59-A65 WeakPolarHBondContact CD-O 3.34Å; R59-V67 VanDerWaalsContact NH2-CG2 3.34Å; R59-F254 HydrophobicContact CB-CE1 4.17Å; R59-F254 HydrophobicContact CB-CZ 4.05Å; R59-F254 HydrophobicContact CG-CZ 4.2Å
60H95.6Very high96.2Very high46 Ų4641.6 Ų41.621%0.21321%0.212CC..G310 helixtrans-71.4-18.5171.2-72.3-63.9000114S57 Q58 G118 F205 F254S57-H60 PolarHBondContact O-CD2 3.35Å; S57-H60 PolarHBondContact O-N 2.94Å; Q58-H60 PolarHBondContact O-N 2.71Å; H60-G118 PolarHBondContact CE1-O 3.1Å; H60-G118 VanDerWaalsContact CE1-O 3.25Å; H60-G118 PolarHBondContact NE2-O 3.04Å; H60-G118 VanDerWaalsContact NE2-O 3.08Å; H60-F205 HydrophobicContact CB-CZ 4.28Å; H60-F205 AromaticContact CD2-CZ 3.8Å; H60-F205 AromaticContact CG-CZ 3.78Å; H60-F205 AromaticContact ND1-CZ 3.99Å; H60-F205 AromaticContact NE2-CZ 4Å; H60-F254 AromaticContact CD2-CE1 3.8Å; H60-F254 AromaticContact CE1-CD1 3.78Å; H60-F254 AromaticContact CE1-CE1 3.54Å; H60-F254 AromaticContact CE1-CZ 3.87Å; H60-F254 AromaticContact NE2-CD1 3.4Å; H60-F254 WeakPolarHBondContact NE2-CD1 3.27Å; H60-F254 AromaticContact NE2-CE1 3.34Å; H60-F254 VanDerWaalsContact NE2-CE1 3.34Å; H60-F254 WeakPolarHBondContact NE2-CE1 3.44Å
61F94.9Very high96.3Very high61 Ų6141 Ų4127%0.26821%0.207SC..THydrogen-bonded Turntrans-115.5-32.3-178.5-53-76.8000112.4V56 Q58 R59 V71 A73 Y218V56-F61 HydrophobicContact CG1-CE2 3.69Å; V56-F61 HydrophobicContact CG1-CZ 4.26Å; Q58-F61 PolarHBondContact O-N 3.06Å; R59-F61 VanDerWaalsContact C-N 3.25Å; R59-F61 PolarHBondContact O-N 3.48Å; F61-V71 HydrophobicContact CD2-CG1 3.77Å; F61-V71 HydrophobicContact CE2-CG1 3.69Å; F61-A73 HydrophobicContact CZ-CB 4.28Å; F61-Y218 HydrophobicContact CE1-CD1 4.28Å; F61-Y218 AromaticContact CE1-CE1 3.57Å; F61-Y218 HydrophobicContact CE1-CE1 3.57Å; F61-Y218 HydrophobicContact CE1-CE2 4.22Å; F61-Y218 AromaticContact CE1-CZ 3.53Å; F61-Y218 HydrophobicContact CZ-CE1 4.15Å
62D95.6Very high96.3Very high61 Ų6138.9 Ų38.933%0.32620%0.196SC..  trans-126.3109.6176.3176.80.7000109.9Q58 R59 T64 A65Q58-D62 PolarHBondContact O-N 2.88Å; R59-D62 VanDerWaalsContact CA-O 3.3Å; R59-D62 WeakPolarHBondContact CA-O 3.4Å; D62-T64 PolarHBondContact O-N 2.67Å; D62-T64 VanDerWaalsContact O-N 3.11Å; D62-T64 WeakPolarHBondContact OD1-CB 3.38Å; D62-T64 PolarHBondContact OD1-N 2.93Å; D62-T64 PolarHBondContact OD1-OG1 3.42Å; D62-T64 PolarHBondContact OD2-OG1 3.34Å; D62-A65 HydrophobicContact CB-CB 4.06Å; D62-A65 WeakPolarHBondContact O-CB 3.27Å; D62-A65 PolarHBondContact O-N 2.68Å; D62-A65 VanDerWaalsContact O-N 3.13Å
63K93.9Very high96.3Very high196 Ų19639 Ų3985%0.85220%0.197SC*.THydrogen-bonded Turntrans-63.9-18.2-177.4-65.8-178.4-178.9176.10113.7
64T95.8Very high96.3Very high123 Ų12339.1 Ų39.176%0.75520%0.198SC*.THydrogen-bonded Turntrans-90.1-16.1-179.670.30000112.9D62D62-T64 PolarHBondContact O-N 2.67Å; D62-T64 VanDerWaalsContact O-N 3.11Å; D62-T64 WeakPolarHBondContact OD1-CB 3.38Å; D62-T64 PolarHBondContact OD1-N 2.93Å; D62-T64 PolarHBondContact OD1-OG1 3.42Å; D62-T64 PolarHBondContact OD2-OG1 3.34Å
65A95.1Very high96.3Very high9 Ų939.1 Ų39.17%0.07420%0.198CC..SBendtrans-67.6145179.800000111.9Q58 R59 D62Q58-A65 HydrophobicContact CB-CB 4.11Å; Q58-A65 HydrophobicContact CG-CB 3.79Å; R59-A65 WeakPolarHBondContact CD-O 3.34Å; D62-A65 HydrophobicContact CB-CB 4.06Å; D62-A65 WeakPolarHBondContact O-CB 3.27Å; D62-A65 PolarHBondContact O-N 2.68Å; D62-A65 VanDerWaalsContact O-N 3.13Å
66P94.1Very high96.3Very high74 Ų7440.4 Ų40.448%0.48120%0.202SC..  trans-57.4147.3168.8-19.931.2000111.4D68 E69P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 WeakPolarHBondContact CB-OD1 3.4Å; P66-D68 PolarHBondContact O-N 3.23Å; P66-E69 HydrophobicContact CB-CB 4.45Å; P66-E69 HydrophobicContact CB-CG 3.88Å; P66-E69 HydrophobicContact CG-CG 3.94Å; P66-E69 PolarHBondContact O-N 3.08Å
67V92.6Very high96.3Very high15 Ų1540.5 Ų40.59%0.09120%0.203CC..THydrogen-bonded Turntrans-70.3-33.5-172.9-158.90000112.6S57 R59 E69 F254S57-V67 WeakPolarHBondContact CB-O 3.25Å; S57-V67 PolarHBondContact OG-O 2.9Å; R59-V67 VanDerWaalsContact NH2-CG2 3.34Å; V67-E69 VanDerWaalsContact C-N 3.31Å; V67-F254 HydrophobicContact CG1-CD1 4.01Å; V67-F254 HydrophobicContact CG1-CE1 3.92Å; V67-F254 HydrophobicContact CG1-CG 4.49Å; V67-F254 HydrophobicContact CG1-CZ 4.35Å
68D92.4Very high96.2Very high22 Ų2240.8 Ų40.812%0.11821%0.206CC..THydrogen-bonded Turntrans-84.5-5.4-178.562.8-40.7000112.8Y20 R23 P66Y20-D68 VanDerWaalsContact CE2-O 3.32Å; Y20-D68 WeakPolarHBondContact CE2-O 3.43Å; R23-D68 HydrophobicContact CB-CB 4.48Å; R23-D68 WeakPolarHBondContact CB-OD2 3.48Å; R23-D68 PolarHBondContact N-OD2 3.14Å; P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 WeakPolarHBondContact CB-OD1 3.4Å; P66-D68 PolarHBondContact O-N 3.23Å
69E95.7Very high96.1Very high25 Ų2537.3 Ų37.312%0.11719%0.19CC..  trans-79.3130167.4-66.5-67.6176.800109.7Y20 N22 R28 Q58 P66 V67Y20-E69 WeakPolarHBondContact OH-CA 3.47Å; Y20-E69 PolarHBondContact OH-OE2 2.84Å; N22-E69 PolarHBondContact ND2-OE1 2.73Å; N22-E69 VanDerWaalsContact ND2-OE1 3.13Å; R28-E69 IonicContact CZ-OE1 2.72Å; R28-E69 IonicContact NE-OE1 3.21Å; R28-E69 PolarHBondContact NE-OE1 3.14Å; R28-E69 IonicContact NE-OE2 2.8Å; R28-E69 IonicContact NH2-OE1 2.77Å; R28-E69 PolarHBondContact NH2-OE1 3.05Å; Q58-E69 WeakPolarHBondContact CB-O 3.41Å; Q58-E69 PolarHBondContact N-O 3.25Å; P66-E69 HydrophobicContact CB-CB 4.45Å; P66-E69 HydrophobicContact CB-CG 3.88Å; P66-E69 HydrophobicContact CG-CG 3.94Å; P66-E69 PolarHBondContact O-N 3.08Å; V67-E69 VanDerWaalsContact C-N 3.31Å
70C97.3Very high96.1Very high10 Ų1033.3 Ų33.37%0.06818%0.175CC..EExtended strand (participates in β ladder)trans-113.8146.7-172.3-62.40000111.3Y20 P30 L55 V56Y20-C70 HydrophobicContact CD1-CB 4.38Å; Y20-C70 HydrophobicContact CE1-CB 3.73Å; Y20-C70 HydrophobicContact CE2-CB 4.42Å; Y20-C70 PolarHBondContact OH-N 3.41Å; P30-C70 WeakPolarHBondContact CB-O 3.22Å; L55-C70 HydrophobicContact CD1-CB 3.69Å; L55-C70 HydrophobicContact CD2-CB 4.26Å; L55-C70 HydrophobicContact CG-CB 3.87Å; V56-C70 WeakPolarHBondContact O-CA 3.28Å
71V98.2Very high96Very high13 Ų1331.3 Ų31.38%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-126.3150175.569.10000109.4R31 R33 V56 Q58 F61R31-V71 WeakPolarHBondContact O-CG2 3.28Å; R33-V71 HydrophobicContact CB-CG2 4.03Å; V56-V71 HydrophobicContact CG1-CG1 3.85Å; V56-V71 PolarHBondContact N-O 2.87Å; V56-V71 VanDerWaalsContact N-O 3.09Å; V56-V71 PolarHBondContact O-N 3.13Å; Q58-V71 HydrophobicContact CB-CB 4.4Å; Q58-V71 HydrophobicContact CB-CG1 4.42Å; F61-V71 HydrophobicContact CD2-CG1 3.77Å; F61-V71 HydrophobicContact CE2-CG1 3.69Å
72L98.6Very high95.9Very high0 Ų030.5 Ų30.50%017%0.171CC..EExtended strand (participates in β ladder)trans-86.2125.5168.8-77.6168000109.9V14 P30 R31 W32 R33 P53 V54 L55V14-L72 HydrophobicContact CG1-CD1 3.94Å; V14-L72 HydrophobicContact CG1-CD2 4.02Å; P30-L72 HydrophobicContact CB-CG 4.24Å; P30-L72 HydrophobicContact CG-CD1 4.25Å; P30-L72 HydrophobicContact CG-CG 4.19Å; R31-L72 PolarHBondContact O-N 2.93Å; W32-L72 CarbonylContact C-O 3.58Å; W32-L72 WeakPolarHBondContact CA-O 3.14Å; W32-L72 HydrophobicContact CD2-CB 3.78Å; W32-L72 HydrophobicContact CD2-CD1 4.33Å; W32-L72 HydrophobicContact CE3-CB 3.9Å; W32-L72 HydrophobicContact CG-CB 4.13Å; W32-L72 HydrophobicContact CZ2-CD1 4.26Å; W32-L72 HydrophobicContact CZ3-CB 4.4Å; R33-L72 PolarHBondContact N-O 3.27Å; P53-L72 HydrophobicContact CB-CD2 4.49Å; V54-L72 WeakPolarHBondContact O-CA 3.13Å; L55-L72 HydrophobicContact CD1-CD2 4.2Å; L55-L72 HydrophobicContact CD1-CG 4.35Å
73A98.4Very high95.7Very high1 Ų133.9 Ų33.91%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-119.6148.2172.800000109.8V54 V56 F61 M75V54-A73 HydrophobicContact CG2-CB 4.18Å; V54-A73 PolarHBondContact N-O 2.88Å; V54-A73 PolarHBondContact O-N 3.15Å; V56-A73 HydrophobicContact CG1-CB 4.05Å; F61-A73 HydrophobicContact CZ-CB 4.28Å; A73-M75 HydrophobicContact CB-CE 3.95Å; A73-M75 HydrophobicContact CB-CG 4.35Å
74S98.3Very high95.6Very high3 Ų325.8 Ų25.82%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-96.1111.6172.9-167.20000107.8D36 Y40 M51D36-S74 WeakPolarHBondContact O-CB 3.19Å; D36-S74 PolarHBondContact OD2-N 3.47Å; Y40-S74 PolarHBondContact N-OG 2.77Å; M51-S74 VanDerWaalsContact CE-C 3.47Å; M51-S74 WeakPolarHBondContact CE-O 3.4Å
75M98.5Very high95.4Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-118.9147.7-176.6-64.5-164.2-170.500111.4M51 S52 V54 V56 A73 F205 Y218 Y220M51-M75 WeakPolarHBondContact CA-O 3.48Å; S52-M75 PolarHBondContact N-O 2.8Å; S52-M75 PolarHBondContact O-N 3.34Å; V54-M75 HydrophobicContact CG1-CB 4.23Å; V54-M75 HydrophobicContact CG2-CB 4.15Å; V54-M75 HydrophobicContact CG2-CE 3.64Å; V54-M75 HydrophobicContact CG2-CG 3.57Å; V54-M75 HydrophobicContact CG2-SD 3.58Å; V54-M75 VanDerWaalsContact CG2-SD 3.58Å; V56-M75 HydrophobicContact CG1-CE 4.31Å; A73-M75 HydrophobicContact CB-CE 3.95Å; A73-M75 HydrophobicContact CB-CG 4.35Å; M75-F205 HydrophobicContact CE-CB 4.36Å; M75-F205 HydrophobicContact CE-CD1 4.31Å; M75-F205 HydrophobicContact CE-CD2 3.93Å; M75-F205 HydrophobicContact CE-CE2 4.27Å; M75-F205 HydrophobicContact CE-CG 3.95Å; M75-F205 HydrophobicContact SD-CB 3.63Å; M75-F205 HydrophobicContact SD-CD2 4.16Å; M75-F205 HydrophobicContact SD-CG 3.91Å; M75-Y218 HydrophobicContact CE-CD1 4.07Å; M75-Y218 HydrophobicContact CE-CG 4.5Å; M75-Y220 HydrophobicContact CB-CD1 3.71Å; M75-Y220 HydrophobicContact CB-CE1 4.41Å; M75-Y220 WeakPolarHBondContact O-CE1 3.44Å
76R98Very high95.3Very high33 Ų3332.3 Ų32.313%0.12516%0.161CC..EExtended strand (participates in β ladder)trans-76.9131.8177.4-178.8-178.2175.7-92.410110.9M51 G78 L217 Y218 T219 Y220M51-R76 VanDerWaalsContact SD-CA 3.58Å; M51-R76 HydrophobicContact SD-CB 3.65Å; M51-R76 HydrophobicContact SD-CG 4.44Å; R76-G78 PolarHBondContact NH1-O 2.89Å; R76-G78 PolarHBondContact O-N 2.79Å; R76-L217 HydrophobicContact CB-CD1 4.32Å; R76-Y218 PolarHBondContact N-O 2.58Å; R76-T219 HydrophobicContact CB-CG2 3.9Å; R76-T219 HydrophobicContact CG-CG2 4.47Å; R76-T219 CarbonylContact O-C 3.49Å; R76-T219 VanDerWaalsContact O-CA 3.23Å; R76-T219 WeakPolarHBondContact O-CA 3.42Å; R76-Y220 WeakPolarHBondContact O-CD1 3.44Å; R76-Y220 PolarHBondContact O-N 3.24Å
77W97.7Very high95.1Very high1 Ų132.7 Ų32.70%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-74.3116.4173.2-167-1.4000111.9C2 G3 T5 L48 Q49 S50 S97 Y220 V222C2-W77 WeakPolarHBondContact O-CZ2 3.49Å; G3-W77 VanDerWaalsContact C-CH2 3.47Å; T5-W77 HydrophobicContact CG2-CH2 3.85Å; T5-W77 HydrophobicContact CG2-CZ3 3.92Å; L48-W77 HydrophobicContact CD2-CD2 3.89Å; L48-W77 HydrophobicContact CD2-CE3 4.37Å; L48-W77 HydrophobicContact CD2-CG 4.28Å; L48-W77 HydrophobicContact CD2-CZ2 4.05Å; Q49-W77 VanDerWaalsContact CA-O 3.25Å; Q49-W77 WeakPolarHBondContact CA-O 3.45Å; Q49-W77 PolarHBondContact N-O 3.4Å; S50-W77 PolarHBondContact O-N 2.95Å; W77-S97 PolarHBondContact NE1-O 3.35Å; W77-Y220 HydrophobicContact CB-CE1 3.83Å; W77-Y220 HydrophobicContact CB-CE2 4.06Å; W77-Y220 VanDerWaalsContact CB-CZ 3.48Å; W77-Y220 WeakPolarHBondContact CB-OH 3.41Å; W77-Y220 AromaticContact CD1-CE2 3.47Å; W77-Y220 VanDerWaalsContact CD1-CE2 3.47Å; W77-Y220 AromaticContact CD1-CZ 3.85Å; W77-Y220 HydrophobicContact CD2-CE2 4.21Å; W77-Y220 HydrophobicContact CG-CE1 4.36Å; W77-Y220 AromaticContact CG-CE2 3.67Å; W77-Y220 HydrophobicContact CG-CE2 3.67Å; W77-Y220 AromaticContact CG-CZ 3.56Å; W77-Y220 AromaticContact NE1-CE2 3.96Å; W77-V222 HydrophobicContact CZ2-CG2 4.01Å
78G96.5Very high94.9Very high7 Ų735.1 Ų35.17%0.07218%0.178CC..SBendtrans120.595.5-178.400000109.2R76 I80 Y220R76-G78 PolarHBondContact NH1-O 2.89Å; R76-G78 PolarHBondContact O-N 2.79Å; G78-I80 PolarHBondContact O-N 3.27Å; G78-Y220 CarbonylContact C-O 3.55Å; G78-Y220 WeakPolarHBondContact CA-O 3.34Å; G78-Y220 PolarHBondContact N-O 2.93Å
79L95.8Very high94.8Very high0 Ų035.2 Ų35.20%018%0.18CC..  trans-62.9129.7-170.9-176.4148.8000112P81 M92 T96 Y110 P114 V204 D206 T219 Y220L79-P81 HydrophobicContact CD2-CB 4.49Å; L79-P81 HydrophobicContact CD2-CG 3.85Å; L79-M92 WeakPolarHBondContact O-CE 3.46Å; L79-T96 PolarHBondContact N-O 3.39Å; L79-T96 PolarHBondContact N-OG1 3.44Å; L79-T96 VanDerWaalsContact N-OG1 3.15Å; L79-T96 WeakPolarHBondContact O-CB 3.46Å; L79-T96 PolarHBondContact O-OG1 3.29Å; L79-Y110 HydrophobicContact CD1-CD1 4.23Å; L79-Y110 HydrophobicContact CD1-CE1 4.23Å; L79-Y110 HydrophobicContact CD2-CE1 4.32Å; L79-P114 HydrophobicContact CD1-CG 4.15Å; L79-V204 HydrophobicContact CD1-CG2 4.12Å; L79-D206 HydrophobicContact CD1-CB 4.29Å; L79-D206 HydrophobicContact CD2-CB 4.36Å; L79-D206 HydrophobicContact CG-CB 4.19Å; L79-T219 WeakPolarHBondContact CA-OG1 3.44Å; L79-Y220 PolarHBondContact N-O 3.35Å; L79-Y220 VanDerWaalsContact N-O 3.13Å
80I94.9Very high94.4Very high0 Ų037.5 Ų37.50%020%0.198CC..  trans-108.7109.1172.6-51.6165.9000108G78 F84 P89 M92 W208 L217 T219G78-I80 PolarHBondContact O-N 3.27Å; I80-F84 HydrophobicContact CG2-CB 3.9Å; I80-F84 HydrophobicContact CG2-CD1 3.68Å; I80-F84 HydrophobicContact CG2-CG 4.07Å; I80-P89 HydrophobicContact CD1-CB 3.47Å; I80-P89 VanDerWaalsContact CD1-CB 3.47Å; I80-P89 HydrophobicContact CD1-CG 3.72Å; I80-P89 HydrophobicContact CG1-CB 4.47Å; I80-M92 VanDerWaalsContact CA-CE 3.43Å; I80-M92 HydrophobicContact CB-CE 3.83Å; I80-M92 HydrophobicContact CG1-CE 3.73Å; I80-M92 HydrophobicContact CG2-CE 3.79Å; I80-W208 HydrophobicContact CB-CB 4.02Å; I80-W208 HydrophobicContact CB-CG 4.27Å; I80-W208 HydrophobicContact CD1-CE3 4.31Å; I80-W208 HydrophobicContact CG2-CB 3.73Å; I80-W208 HydrophobicContact CG2-CD2 3.83Å; I80-W208 HydrophobicContact CG2-CE3 4.42Å; I80-W208 HydrophobicContact CG2-CG 3.47Å; I80-W208 VanDerWaalsContact CG2-CG 3.47Å; I80-L217 HydrophobicContact CD1-CD2 3.59Å; I80-T219 HydrophobicContact CB-CG2 4.14Å; I80-T219 HydrophobicContact CD1-CG2 3.57Å; I80-T219 HydrophobicContact CG1-CG2 3.77Å; I80-T219 PolarHBondContact N-OG1 3.01Å
81P93.8Very high94Very high3 Ų342.1 Ų42.12%0.01922%0.218CC..  trans-62.5142.8178.5-21.433.5000110.8L79 W83 F84 D206L79-P81 HydrophobicContact CD2-CB 4.49Å; L79-P81 HydrophobicContact CD2-CG 3.85Å; P81-W83 HydrophobicContact CB-CD2 3.96Å; P81-W83 HydrophobicContact CB-CG 4.1Å; P81-W83 HydrophobicContact CB-CZ2 3.81Å; P81-W83 HydrophobicContact CG-CH2 4.44Å; P81-W83 HydrophobicContact CG-CZ2 3.7Å; P81-W83 PolarHBondContact O-N 3.04Å; P81-F84 WeakPolarHBondContact O-CB 3.22Å; P81-F84 PolarHBondContact O-N 2.65Å; P81-D206 WeakPolarHBondContact CA-OD2 3.17Å
82A92.8Very high93.5Very high45 Ų4543.2 Ų43.237%0.37222%0.222SC..THydrogen-bonded Turntrans-56-26.6-179.700000113.7F84 D206 C207A82-F84 VanDerWaalsContact C-N 3.3Å; A82-F84 PolarHBondContact O-N 3.45Å; A82-D206 PolarHBondContact N-OD2 3.43Å; A82-C207 WeakPolarHBondContact CB-O 3.09Å
83W91.2Very high92.8Very high131 Ų13151.4 Ų51.450%0.49626%0.26SS..THydrogen-bonded Turntrans-79-5.7178.357-101.7000114.6P81 K85P81-W83 HydrophobicContact CB-CD2 3.96Å; P81-W83 HydrophobicContact CB-CG 4.1Å; P81-W83 HydrophobicContact CB-CZ2 3.81Å; P81-W83 HydrophobicContact CG-CH2 4.44Å; P81-W83 HydrophobicContact CG-CZ2 3.7Å; P81-W83 PolarHBondContact O-N 3.04Å; W83-K85 WeakPolarHBondContact O-CG 3.47Å; W83-K85 PolarHBondContact O-N 3.2Å
84F92.5Very high92.2Very high27 Ų2759.3 Ų59.312%0.11829%0.291CS..  trans-65.4128.8-179.5-176.6-116.6000111.4I80 P81 A82 E86 K91 M92 W208I80-F84 HydrophobicContact CG2-CB 3.9Å; I80-F84 HydrophobicContact CG2-CD1 3.68Å; I80-F84 HydrophobicContact CG2-CG 4.07Å; P81-F84 WeakPolarHBondContact O-CB 3.22Å; P81-F84 PolarHBondContact O-N 2.65Å; A82-F84 VanDerWaalsContact C-N 3.3Å; A82-F84 PolarHBondContact O-N 3.45Å; F84-E86 HydrophobicContact CD1-CB 4.47Å; F84-E86 HydrophobicContact CE1-CB 3.66Å; F84-E86 HydrophobicContact CE1-CG 4.47Å; F84-E86 HydrophobicContact CE2-CB 4.11Å; F84-E86 HydrophobicContact CE2-CG 4.05Å; F84-E86 HydrophobicContact CZ-CB 3.46Å; F84-E86 VanDerWaalsContact CZ-CB 3.46Å; F84-E86 HydrophobicContact CZ-CG 3.8Å; F84-K91 HydrophobicContact CZ-CB 4.37Å; F84-M92 HydrophobicContact CZ-CB 4.35Å; F84-W208 HydrophobicContact CD1-CZ2 4.38Å; F84-W208 AromaticContact CD1-NE1 3.9Å; F84-W208 PolarHBondContact O-NE1 2.99Å
85K91.6Very high91.7Very high182 Ų18263.6 Ų63.679%0.79132%0.321SS*.  trans-107.4-3.7-167.6-60.4-170.4179.4-177.60115.4W83 P211W83-K85 WeakPolarHBondContact O-CG 3.47Å; W83-K85 PolarHBondContact O-N 3.2Å; K85-P211 VanDerWaalsContact O-CG 3.28Å; K85-P211 WeakPolarHBondContact O-CG 3.48Å
86E92.3Very high91.4Very high86 Ų8664.1 Ų64.140%0.40233%0.325SS..  trans-80.1147.2175.4-68-67.3146.300110.2F84 D88 K91 W208F84-E86 HydrophobicContact CD1-CB 4.47Å; F84-E86 HydrophobicContact CE1-CB 3.66Å; F84-E86 HydrophobicContact CE1-CG 4.47Å; F84-E86 HydrophobicContact CE2-CB 4.11Å; F84-E86 HydrophobicContact CE2-CG 4.05Å; F84-E86 HydrophobicContact CZ-CB 3.46Å; F84-E86 VanDerWaalsContact CZ-CB 3.46Å; F84-E86 HydrophobicContact CZ-CG 3.8Å; E86-D88 VanDerWaalsContact C-N 3.26Å; E86-D88 PolarHBondContact O-N 3.18Å; E86-K91 HydrophobicContact CB-CB 4.32Å; E86-K91 HydrophobicContact CB-CD 4.04Å; E86-K91 HydrophobicContact CG-CB 4.23Å; E86-K91 HydrophobicContact CG-CD 4.02Å; E86-K91 VanDerWaalsContact OE2-CD 3.24Å; E86-K91 WeakPolarHBondContact OE2-CD 3.43Å; E86-K91 IonicContact OE2-NZ 2.81Å; E86-K91 PolarHBondContact OE2-NZ 2.95Å; E86-W208 WeakPolarHBondContact O-CZ2 3.39Å
87S89.8Confident91.3Very high82 Ų8263 Ų6357%0.57332%0.322SS*.SBendtrans-69.9-22.3177.154.50000114.1
88D89.5Confident91.2Very high66 Ų6663.9 Ų63.935%0.35333%0.326SS..  trans-111.5114.5-177.9-179.93.2000110.9E86 S90 K91E86-D88 VanDerWaalsContact C-N 3.26Å; E86-D88 PolarHBondContact O-N 3.18Å; D88-S90 PolarHBondContact O-N 3.17Å; D88-S90 VanDerWaalsContact O-N 3.09Å; D88-S90 VanDerWaalsContact OD1-CB 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.42Å; D88-S90 PolarHBondContact OD1-N 2.84Å; D88-S90 PolarHBondContact OD1-OG 3.48Å; D88-S90 PolarHBondContact OD2-OG 2.77Å; D88-K91 HydrophobicContact CB-CD 4.24Å; D88-K91 HydrophobicContact CB-CG 4.1Å; D88-K91 WeakPolarHBondContact O-CB 3.49Å; D88-K91 PolarHBondContact O-N 3.09Å; D88-K91 VanDerWaalsContact O-N 3.1Å
89P88.6Confident91.1Very high25 Ų2563.6 Ų63.616%0.16232%0.323CS..G310 helixtrans-46.8-31.2169.9-36.541.9000116.1I80 K91 M92 W208 L217I80-P89 HydrophobicContact CD1-CB 3.47Å; I80-P89 VanDerWaalsContact CD1-CB 3.47Å; I80-P89 HydrophobicContact CD1-CG 3.72Å; I80-P89 HydrophobicContact CG1-CB 4.47Å; P89-K91 PolarHBondContact O-N 2.77Å; P89-M92 PolarHBondContact O-N 3.2Å; P89-W208 HydrophobicContact CG-CE3 4.25Å; P89-W208 HydrophobicContact CG-CH2 3.98Å; P89-W208 HydrophobicContact CG-CZ3 3.58Å; P89-L217 HydrophobicContact CG-CD2 3.94Å
90S87.8Confident91.1Very high72 Ų7268.1 Ų68.150%0.50334%0.341SS..G310 helixtrans-68.6-21.2-176.687.40000112.8D88 M92D88-S90 PolarHBondContact O-N 3.17Å; D88-S90 VanDerWaalsContact O-N 3.09Å; D88-S90 VanDerWaalsContact OD1-CB 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.42Å; D88-S90 PolarHBondContact OD1-N 2.84Å; D88-S90 PolarHBondContact OD1-OG 3.48Å; D88-S90 PolarHBondContact OD2-OG 2.77Å; S90-M92 PolarHBondContact O-N 3.27Å
91K89.4Confident91.1Very high108 Ų10869.1 Ų69.147%0.4735%0.347SS..G310 helixtrans-75.4-0.6178.8-64.9-177.8-176.3-176.30114F84 E86 D88 P89 Q93F84-K91 HydrophobicContact CZ-CB 4.37Å; E86-K91 HydrophobicContact CB-CB 4.32Å; E86-K91 HydrophobicContact CB-CD 4.04Å; E86-K91 HydrophobicContact CG-CB 4.23Å; E86-K91 HydrophobicContact CG-CD 4.02Å; E86-K91 VanDerWaalsContact OE2-CD 3.24Å; E86-K91 WeakPolarHBondContact OE2-CD 3.43Å; E86-K91 IonicContact OE2-NZ 2.81Å; E86-K91 PolarHBondContact OE2-NZ 2.95Å; D88-K91 HydrophobicContact CB-CD 4.24Å; D88-K91 HydrophobicContact CB-CG 4.1Å; D88-K91 WeakPolarHBondContact O-CB 3.49Å; D88-K91 PolarHBondContact O-N 3.09Å; D88-K91 VanDerWaalsContact O-N 3.1Å; P89-K91 PolarHBondContact O-N 2.77Å; K91-Q93 PolarHBondContact O-N 3.45Å
92M87.8Confident91.1Very high35 Ų3573 Ų7317%0.17237%0.365CS..  trans-63.4119.4175.6-168.4-178.1-67.200110.8L79 I80 F84 P89 S90 T96L79-M92 WeakPolarHBondContact O-CE 3.46Å; I80-M92 VanDerWaalsContact CA-CE 3.43Å; I80-M92 HydrophobicContact CB-CE 3.83Å; I80-M92 HydrophobicContact CG1-CE 3.73Å; I80-M92 HydrophobicContact CG2-CE 3.79Å; F84-M92 HydrophobicContact CZ-CB 4.35Å; P89-M92 PolarHBondContact O-N 3.2Å; S90-M92 PolarHBondContact O-N 3.27Å; M92-T96 HydrophobicContact SD-CG2 3.64Å; M92-T96 PolarHBondContact SD-OG1 3.29Å
93Q84.5Confident90.9Very high172 Ų17273.6 Ų73.680%0.80436%0.362SS*.  trans-77.8-22-177-63.4178.2-3.900113.3K91K91-Q93 PolarHBondContact O-N 3.45Å
94Y84.9Confident90.9Very high167 Ų16767.4 Ų67.466%0.65534%0.339SS*.SBendtrans-99139.2-177-53.8-68.5000111.3T96Y94-T96 PolarHBondContact O-N 2.84Å
95S88.1Confident90.7Very high94 Ų9469.2 Ų69.266%0.65735%0.349SS*.  trans-75.4116170.3-176.10000110.4S97S95-S97 PolarHBondContact OG-OG 2.98Å
96T93Very high90.5Very high11 Ų1166.9 Ų66.97%0.06734%0.341CS..  trans-116.818178.555.70000112L79 M92 Y94 N98 S221L79-T96 PolarHBondContact N-O 3.39Å; L79-T96 PolarHBondContact N-OG1 3.44Å; L79-T96 VanDerWaalsContact N-OG1 3.15Å; L79-T96 WeakPolarHBondContact O-CB 3.46Å; L79-T96 PolarHBondContact O-OG1 3.29Å; M92-T96 HydrophobicContact SD-CG2 3.64Å; M92-T96 PolarHBondContact SD-OG1 3.29Å; Y94-T96 PolarHBondContact O-N 2.84Å; T96-N98 PolarHBondContact O-N 3.35Å; T96-S221 VanDerWaalsContact O-CB 3.3Å; T96-S221 WeakPolarHBondContact O-CB 3.47Å; T96-S221 PolarHBondContact O-OG 3.16Å
97S94.3Very high90.3Very high10 Ų1067.5 Ų67.57%0.0734%0.342CS..SBendtrans-62-34.717459.50000112.3W77 S95 V222W77-S97 PolarHBondContact NE1-O 3.35Å; S95-S97 PolarHBondContact OG-OG 2.98Å; S97-V222 PolarHBondContact O-N 3.09Å
98N96.2Very high90.1Very high18 Ų1871.8 Ų71.810%0.09635%0.351CS..EExtended strand (participates in β ladder)trans-133.2147.8-179-54.693.6000111M1 C2 T96 Y110 S221 V222 T224M1-N98 HydrophobicContact SD-CB 3.97Å; C2-N98 PolarHBondContact O-ND2 2.94Å; C2-N98 PolarHBondContact O-OD1 3.45Å; T96-N98 PolarHBondContact O-N 3.35Å; N98-Y110 PolarHBondContact O-OH 3.01Å; N98-S221 WeakPolarHBondContact CA-OG 3.41Å; N98-S221 PolarHBondContact N-OG 3.42Å; N98-V222 CarbonylContact C-O 3.54Å; N98-V222 WeakPolarHBondContact CA-O 3.45Å; N98-T224 HydrophobicContact CB-CG2 3.92Å
99C94Very high89.8Confident1 Ų170 Ų701%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-124.1129168.964.30000110.1Y110 S221 V222 I223 T224C99-Y110 HydrophobicContact CB-CD1 4.12Å; C99-Y110 HydrophobicContact CB-CD2 3.69Å; C99-Y110 HydrophobicContact CB-CE1 3.83Å; C99-Y110 HydrophobicContact CB-CE2 3.38Å; C99-Y110 HydrophobicContact CB-CG 4.07Å; C99-Y110 VanDerWaalsContact CB-CZ 3.46Å; C99-S221 PolarHBondContact N-OG 3.07Å; C99-V222 PolarHBondContact N-O 2.97Å; C99-I223 CarbonylContact O-C 3.57Å; C99-I223 VanDerWaalsContact O-CA 3.29Å; C99-I223 WeakPolarHBondContact O-CA 3.26Å; C99-I223 WeakPolarHBondContact SG-CG1 3.4Å; C99-T224 PolarHBondContact O-N 3.4Å; C99-T224 PolarHBondContact O-OG1 3.03Å
100R95.6Very high89.7Confident96 Ų9669.3 Ų69.336%0.36234%0.338SS..EExtended strand (participates in β ladder)trans-72.7131.9176.8-69.6-173.378.8129.10.8109.4E102 N103 I104 R237R100-E102 WeakPolarHBondContact CB-OE2 3.45Å; R100-E102 IonicContact NE-OE2 2.65Å; R100-E102 PolarHBondContact O-N 2.92Å; R100-N103 PolarHBondContact O-N 3.47Å; R100-I104 PolarHBondContact O-N 3.01Å; R100-R237 VanDerWaalsContact NH2-NH1 3.14Å
101S95.6Very high89.3Confident20 Ų2070.4 Ų70.414%0.1433%0.334CS..G310 helixtrans-59.5-34.3-179.758.40000112.1N103 I104 T224S101-N103 VanDerWaalsContact C-N 3.31Å; S101-N103 PolarHBondContact O-N 3.48Å; S101-I104 VanDerWaalsContact O-CG2 3.26Å; S101-I104 WeakPolarHBondContact O-CG2 3.36Å; S101-I104 PolarHBondContact O-N 3.11Å; S101-T224 PolarHBondContact N-O 3.21Å; S101-T224 PolarHBondContact OG-O 3.2Å
102E92.9Very high88.5Confident85 Ų8572.4 Ų72.440%0.39734%0.342SS..G310 helixtrans-62-36.5-176.3-5885.2174.700112.7R100 R237R100-E102 WeakPolarHBondContact CB-OE2 3.45Å; R100-E102 IonicContact NE-OE2 2.65Å; R100-E102 PolarHBondContact O-N 2.92Å; E102-R237 IonicContact OE1-CZ 2.69Å; E102-R237 IonicContact OE1-NH1 3.84Å; E102-R237 PolarHBondContact OE1-NH1 2.92Å; E102-R237 IonicContact OE1-NH2 3.72Å; E102-R237 PolarHBondContact OE1-NH2 2.83Å; E102-R237 IonicContact OE2-CZ 3.69Å; E102-R237 IonicContact OE2-NH1 3.67Å; E102-R237 IonicContact OE2-NH2 3.67Å; E102-R237 PolarHBondContact OE2-NH2 2.83Å
103N88.9Confident87.9Confident57 Ų5772.2 Ų72.231%0.30534%0.342SS..G310 helixtrans-109.511.6-175.2-58.473.3000112.8R100 S101 L105 E106 K107R100-N103 PolarHBondContact O-N 3.47Å; S101-N103 VanDerWaalsContact C-N 3.31Å; S101-N103 PolarHBondContact O-N 3.48Å; N103-L105 PolarHBondContact O-N 3.31Å; N103-E106 PolarHBondContact ND2-OE2 3.22Å; N103-E106 PolarHBondContact O-N 2.69Å; N103-K107 HydrophobicContact CB-CG 4.41Å; N103-K107 PolarHBondContact O-N 2.83Å; N103-K107 VanDerWaalsContact O-N 3.13Å
104I90.9Very high88Confident1 Ų164 Ų641%0.00530%0.304CS..THydrogen-bonded Turntrans-63.5-31.6-174.5-153.8179.1000111.7R100 S101 L115 V204 I223 I263R100-I104 PolarHBondContact O-N 3.01Å; S101-I104 VanDerWaalsContact O-CG2 3.26Å; S101-I104 WeakPolarHBondContact O-CG2 3.36Å; S101-I104 PolarHBondContact O-N 3.11Å; I104-L115 HydrophobicContact CB-CD1 4.22Å; I104-L115 HydrophobicContact CD1-CD1 3.82Å; I104-L115 HydrophobicContact CD1-CD2 4.26Å; I104-L115 HydrophobicContact CD1-CG 4.3Å; I104-L115 HydrophobicContact CG1-CD1 3.6Å; I104-L115 HydrophobicContact CG1-CG 4.43Å; I104-L115 HydrophobicContact CG2-CD1 3.91Å; I104-V204 HydrophobicContact CD1-CG1 4.24Å; I104-I223 HydrophobicContact CD1-CD1 3.9Å; I104-I223 HydrophobicContact CD1-CG1 4Å; I104-I263 HydrophobicContact CG2-CD1 4.02Å; I104-I263 HydrophobicContact CG2-CG1 4.39Å
105L88.9Confident88.1Confident65 Ų6556.1 Ų56.134%0.3427%0.273SS..THydrogen-bonded Turntrans-84.3-4.9177.1-67.6177.8000114.2N103 K111 L115 L260 I263N103-L105 PolarHBondContact O-N 3.31Å; L105-K111 WeakPolarHBondContact O-CD 3.4Å; L105-K111 WeakPolarHBondContact O-CE 3.23Å; L105-K111 WeakPolarHBondContact O-CG 3.22Å; L105-K111 PolarHBondContact O-NZ 3.27Å; L105-L115 HydrophobicContact CD2-CD1 4.16Å; L105-L260 HydrophobicContact CD1-CD2 4.01Å; L105-I263 HydrophobicContact CD1-CD1 3.99Å; L105-I263 HydrophobicContact CD2-CD1 3.51Å; L105-I263 HydrophobicContact CG-CD1 3.74Å
106E88.2Confident88Confident133 Ų13357.4 Ų57.462%0.62127%0.272SS*.THydrogen-bonded Turntrans-105.4-39.6-177.6-61.1174.9168.800111N103 K108N103-E106 PolarHBondContact ND2-OE2 3.22Å; N103-E106 PolarHBondContact O-N 2.69Å; E106-K108 PolarHBondContact O-N 3.32Å
107K87.8Confident88Confident99 Ų9961.9 Ų61.943%0.4329%0.29SS..  trans-74.1123.5-174.6-71.1-172.3175.8-170.90111.7N103 S109 Y110 K111N103-K107 HydrophobicContact CB-CG 4.41Å; N103-K107 PolarHBondContact O-N 2.83Å; N103-K107 VanDerWaalsContact O-N 3.13Å; K107-S109 VanDerWaalsContact C-N 3.25Å; K107-S109 PolarHBondContact O-N 2.86Å; K107-Y110 HydrophobicContact CB-CD2 3.7Å; K107-Y110 HydrophobicContact CB-CE2 4.29Å; K107-Y110 HydrophobicContact CD-CD2 3.95Å; K107-Y110 HydrophobicContact CD-CE2 3.78Å; K107-Y110 HydrophobicContact CG-CD2 4.42Å; K107-Y110 PolarHBondContact O-N 3.12Å; K107-K111 WeakPolarHBondContact O-CB 3.35Å; K107-K111 PolarHBondContact O-N 2.79Å
108K84.4Confident88Confident172 Ų17261.6 Ų61.675%0.74829%0.289SS*.Hα-helixtrans-52.9-40.3178.9-68.6-177.8-179.9177.10113.1E106 Y110E106-K108 PolarHBondContact O-N 3.32Å; K108-Y110 PolarHBondContact O-N 2.91Å
109S83.6Confident88Confident30 Ų3061.5 Ų61.521%0.2129%0.288CS..Hα-helixtrans-64.2-16.3-180-48.50000114.8K107 P114K107-S109 VanDerWaalsContact C-N 3.25Å; K107-S109 PolarHBondContact O-N 2.86Å; S109-P114 WeakPolarHBondContact O-CG 3.45Å
110Y86.4Confident88.2Confident9 Ų961.5 Ų61.54%0.03529%0.288CS..Hα-helixtrans-121.1-39.2-176.6-52.1-51.7000112.4L79 N98 C99 K107 K108 P114 L115 V204L79-Y110 HydrophobicContact CD1-CD1 4.23Å; L79-Y110 HydrophobicContact CD1-CE1 4.23Å; L79-Y110 HydrophobicContact CD2-CE1 4.32Å; N98-Y110 PolarHBondContact O-OH 3.01Å; C99-Y110 HydrophobicContact CB-CD1 4.12Å; C99-Y110 HydrophobicContact CB-CD2 3.69Å; C99-Y110 HydrophobicContact CB-CE1 3.83Å; C99-Y110 HydrophobicContact CB-CE2 3.38Å; C99-Y110 HydrophobicContact CB-CG 4.07Å; C99-Y110 VanDerWaalsContact CB-CZ 3.46Å; K107-Y110 HydrophobicContact CB-CD2 3.7Å; K107-Y110 HydrophobicContact CB-CE2 4.29Å; K107-Y110 HydrophobicContact CD-CD2 3.95Å; K107-Y110 HydrophobicContact CD-CE2 3.78Å; K107-Y110 HydrophobicContact CG-CD2 4.42Å; K107-Y110 PolarHBondContact O-N 3.12Å; K108-Y110 PolarHBondContact O-N 2.91Å; Y110-P114 WeakPolarHBondContact O-CD 3.35Å; Y110-L115 WeakPolarHBondContact O-CB 3.24Å; Y110-L115 PolarHBondContact O-N 2.75Å; Y110-V204 HydrophobicContact CD1-CG2 3.98Å
111K79.6Confident88.3Confident95 Ų9557 Ų5741%0.41327%0.271SS..Iπ-helixtrans-69.3-60.5-177-170.4-158.2-159.9141.40112.3L105 K107 L116L105-K111 WeakPolarHBondContact O-CD 3.4Å; L105-K111 WeakPolarHBondContact O-CE 3.23Å; L105-K111 WeakPolarHBondContact O-CG 3.22Å; L105-K111 PolarHBondContact O-NZ 3.27Å; K107-K111 WeakPolarHBondContact O-CB 3.35Å; K107-K111 PolarHBondContact O-N 2.79Å; K111-L116 VanDerWaalsContact O-CG 3.32Å; K111-L116 WeakPolarHBondContact O-CG 3.32Å; K111-L116 PolarHBondContact O-N 2.77Å
112K72.7Confident88.5Confident150 Ų15056 Ų5665%0.65226%0.264SS*.Iπ-helixtrans-72.5-42.3-160.6-168.1-179.8179.6-176.10112.4
113D75.9Confident88.8Confident31 Ų3152 Ų5217%0.16625%0.245CC..Iπ-helixtrans-96.9-70-178.1-68.4-47.1000110.1L115 K117 Q119D113-L115 PolarHBondContact O-N 3.48Å; D113-K117 HydrophobicContact CB-CD 4.43Å; D113-K117 WeakPolarHBondContact O-CB 3.46Å; D113-K117 WeakPolarHBondContact O-CD 3.23Å; D113-K117 WeakPolarHBondContact O-CG 3.29Å; D113-K117 PolarHBondContact O-N 2.99Å; D113-K117 WeakPolarHBondContact OD1-CE 3.27Å; D113-K117 IonicContact OD1-NZ 3.61Å; D113-K117 PolarHBondContact OD1-NZ 3.35Å; D113-Q119 PolarHBondContact O-OE1 2.9Å
114P86.2Confident89.2Confident0 Ų049.7 Ų49.70%023%0.233CC..Iπ-helixtrans-57.7-55.7-173.3-28.635000116.1L79 S109 Y110 G118 Q119 V204 F205 D206L79-P114 HydrophobicContact CD1-CG 4.15Å; S109-P114 WeakPolarHBondContact O-CG 3.45Å; Y110-P114 WeakPolarHBondContact O-CD 3.35Å; P114-G118 PolarHBondContact O-N 2.96Å; P114-Q119 VanDerWaalsContact CA-OE1 3.27Å; P114-Q119 HydrophobicContact CB-CB 4.37Å; P114-Q119 WeakPolarHBondContact O-CA 3.16Å; P114-Q119 WeakPolarHBondContact O-CB 3.23Å; P114-Q119 PolarHBondContact O-N 2.82Å; P114-V204 HydrophobicContact CB-CB 3.92Å; P114-V204 HydrophobicContact CB-CG1 4.45Å; P114-F205 WeakPolarHBondContact CB-O 3.46Å; P114-D206 HydrophobicContact CG-CB 4.2Å
115L87.5Confident89.6Confident2 Ų249.6 Ų49.61%0.0123%0.232CC..Iπ-helixtrans-72.7-38.5-172.4-81.2176.4000113.9I104 L105 Y110 D113 G118 V204 S259 I263I104-L115 HydrophobicContact CB-CD1 4.22Å; I104-L115 HydrophobicContact CD1-CD1 3.82Å; I104-L115 HydrophobicContact CD1-CD2 4.26Å; I104-L115 HydrophobicContact CD1-CG 4.3Å; I104-L115 HydrophobicContact CG1-CD1 3.6Å; I104-L115 HydrophobicContact CG1-CG 4.43Å; I104-L115 HydrophobicContact CG2-CD1 3.91Å; L105-L115 HydrophobicContact CD2-CD1 4.16Å; Y110-L115 WeakPolarHBondContact O-CB 3.24Å; Y110-L115 PolarHBondContact O-N 2.75Å; D113-L115 PolarHBondContact O-N 3.48Å; L115-G118 PolarHBondContact O-N 2.76Å; L115-V204 HydrophobicContact CD2-CG1 3.89Å; L115-V204 HydrophobicContact CG-CG1 4.18Å; L115-S259 PolarHBondContact O-OG 2.83Å; L115-I263 HydrophobicContact CD1-CD1 4.28Å
116L86.4Confident90.1Very high121 Ų12146.7 Ų46.763%0.63422%0.217SC*.THydrogen-bonded Turntrans-77-28.9-179.9-70178.7000112.5K111 G118K111-L116 VanDerWaalsContact O-CG 3.32Å; K111-L116 WeakPolarHBondContact O-CG 3.32Å; K111-L116 PolarHBondContact O-N 2.77Å; L116-G118 PolarHBondContact O-N 3Å
117K91.8Very high90.6Very high104 Ų10440.3 Ų40.345%0.45219%0.187SC..THydrogen-bonded Turntrans-81.71.5171.8-63.2174.5-172.6167.40113D113 Q119D113-K117 HydrophobicContact CB-CD 4.43Å; D113-K117 WeakPolarHBondContact O-CB 3.46Å; D113-K117 WeakPolarHBondContact O-CD 3.23Å; D113-K117 WeakPolarHBondContact O-CG 3.29Å; D113-K117 PolarHBondContact O-N 2.99Å; D113-K117 WeakPolarHBondContact OD1-CE 3.27Å; D113-K117 IonicContact OD1-NZ 3.61Å; D113-K117 PolarHBondContact OD1-NZ 3.35Å; K117-Q119 HydrophobicContact CB-CG 3.99Å; K117-Q119 PolarHBondContact O-N 2.87Å
118G93.7Very high91.1Very high4 Ų435.7 Ų35.74%0.04117%0.167CC..THydrogen-bonded Turntrans70.616.4-179.100000114.4H60 P114 L115 L116 R120H60-G118 PolarHBondContact CE1-O 3.1Å; H60-G118 VanDerWaalsContact CE1-O 3.25Å; H60-G118 PolarHBondContact NE2-O 3.04Å; H60-G118 VanDerWaalsContact NE2-O 3.08Å; P114-G118 PolarHBondContact O-N 2.96Å; L115-G118 PolarHBondContact O-N 2.76Å; L116-G118 PolarHBondContact O-N 3Å; G118-R120 PolarHBondContact O-N 2.84Å
119Q97.1Very high91.8Very high17 Ų1727.5 Ų27.58%0.07913%0.132CC..  trans-71.765.1-179.8-60.1170.4-73.400111.2D113 P114 K117 V204 F205 D206D113-Q119 PolarHBondContact O-OE1 2.9Å; P114-Q119 VanDerWaalsContact CA-OE1 3.27Å; P114-Q119 HydrophobicContact CB-CB 4.37Å; P114-Q119 WeakPolarHBondContact O-CA 3.16Å; P114-Q119 WeakPolarHBondContact O-CB 3.23Å; P114-Q119 PolarHBondContact O-N 2.82Å; K117-Q119 HydrophobicContact CB-CG 3.99Å; K117-Q119 PolarHBondContact O-N 2.87Å; Q119-V204 WeakPolarHBondContact O-CA 3.41Å; Q119-F205 HydrophobicContact CB-CD1 3.78Å; Q119-F205 HydrophobicContact CB-CD2 4.05Å; Q119-F205 HydrophobicContact CB-CE1 3.58Å; Q119-F205 HydrophobicContact CB-CE2 3.85Å; Q119-F205 HydrophobicContact CB-CG 4.02Å; Q119-F205 HydrophobicContact CB-CZ 3.61Å; Q119-F205 WeakPolarHBondContact CB-O 3.24Å; Q119-F205 HydrophobicContact CG-CD2 4.42Å; Q119-F205 HydrophobicContact CG-CE1 4.33Å; Q119-F205 HydrophobicContact CG-CE2 3.9Å; Q119-F205 HydrophobicContact CG-CZ 3.85Å; Q119-F205 VanDerWaalsContact O-CD1 3.27Å; Q119-F205 WeakPolarHBondContact O-CD1 3.44Å; Q119-F205 PolarHBondContact O-N 3.1Å; Q119-D206 PolarHBondContact NE2-OD1 2.87Å
120R97.9Very high92.5Very high1 Ų126.7 Ų26.70%0.00413%0.125CC..EExtended strand (participates in β ladder)trans-102.1137177.9-58-171.1-51.3-116.310.3108G118 W251 D253 F254 V257G118-R120 PolarHBondContact O-N 2.84Å; R120-W251 HydrophobicContact CB-CD2 4.48Å; R120-W251 HydrophobicContact CB-CZ2 4.09Å; R120-W251 HydrophobicContact CG-CH2 4.49Å; R120-W251 HydrophobicContact CG-CZ2 4.05Å; R120-W251 VanDerWaalsContact CZ-O 3.23Å; R120-W251 PolarHBondContact NE-O 3.48Å; R120-W251 PolarHBondContact NH2-O 3.42Å; R120-D253 PolarHBondContact NH2-O 3.17Å; R120-F254 VanDerWaalsContact NH2-CA 3.26Å; R120-V257 PolarHBondContact NH1-O 3.31Å; R120-V257 PolarHBondContact NH2-O 2.9Å
121C98.6Very high93Very high0 Ų028.2 Ų28.20%013%0.13CC..EExtended strand (participates in β ladder)trans-135.3163.4178.560.70000110.2V54 L55 V56 G203 F205 W251V54-C121 HydrophobicContact CB-CB 4.22Å; V54-C121 HydrophobicContact CG2-CB 4.25Å; L55-C121 CarbonylContact O-C 3.5Å; L55-C121 WeakPolarHBondContact O-CA 3.34Å; V56-C121 HydrophobicContact CB-CB 4.48Å; C121-G203 PolarHBondContact N-O 3.07Å; C121-G203 PolarHBondContact O-N 2.69Å; C121-G203 VanDerWaalsContact O-O 3.13Å; C121-F205 HydrophobicContact CB-CD1 3.88Å; C121-W251 PolarHBondContact O-NE1 3.03Å
122V98.8Very high93.8Very high0 Ų027.3 Ų27.30%012%0.124CC..EExtended strand (participates in β ladder)trans-114.7115.6170-178.50000108.2V54 L55 M124 T200 M201 L242 V248 L252V54-V122 CarbonylContact C-O 3.6Å; V54-V122 WeakPolarHBondContact CA-O 3.29Å; L55-V122 HydrophobicContact CB-CB 4.28Å; L55-V122 PolarHBondContact N-O 3.06Å; L55-V122 PolarHBondContact O-N 3.21Å; V122-M124 HydrophobicContact CG1-SD 3.94Å; V122-T200 HydrophobicContact CG1-CG2 3.78Å; V122-M201 CarbonylContact C-O 3.51Å; V122-M201 WeakPolarHBondContact CA-O 3.44Å; V122-L242 HydrophobicContact CG1-CD1 4.43Å; V122-L242 HydrophobicContact CG2-CD1 3.54Å; V122-V248 HydrophobicContact CG1-CG2 4.5Å; V122-V248 HydrophobicContact CG2-CG1 4.13Å; V122-L252 HydrophobicContact CG2-CD1 4.14Å; V122-L252 HydrophobicContact CG2-CD2 3.86Å; V122-L252 HydrophobicContact CG2-CG 3.91Å
123I98.8Very high94.7Very high1 Ų129.4 Ų29.41%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-78.3126175.8-55.583.3000108.1V54 M201 G203 Y220 V222V54-I123 HydrophobicContact CG1-CB 4.47Å; V54-I123 HydrophobicContact CG1-CG1 4.1Å; I123-M201 HydrophobicContact CB-CB 4.34Å; I123-M201 HydrophobicContact CB-CE 4.08Å; I123-M201 VanDerWaalsContact CD1-O 3.3Å; I123-M201 WeakPolarHBondContact CD1-O 3.08Å; I123-M201 HydrophobicContact CG2-CE 3.81Å; I123-M201 PolarHBondContact N-O 3.13Å; I123-M201 PolarHBondContact O-N 3.09Å; I123-G203 VanDerWaalsContact CD1-CA 3.43Å; I123-Y220 HydrophobicContact CB-CE2 4.49Å; I123-Y220 HydrophobicContact CD1-CD2 3.96Å; I123-Y220 HydrophobicContact CD1-CE2 4.27Å; I123-Y220 HydrophobicContact CG1-CD2 3.53Å; I123-Y220 HydrophobicContact CG1-CE2 3.48Å; I123-Y220 VanDerWaalsContact CG1-CE2 3.48Å; I123-Y220 HydrophobicContact CG1-CG 4.19Å; I123-Y220 HydrophobicContact CG2-CE2 4.16Å; I123-V222 HydrophobicContact CD1-CG2 4.35Å; I123-V222 HydrophobicContact CG1-CG2 4.45Å
124M98.7Very high95.3Very high8 Ų831.5 Ų31.54%0.03914%0.142CC..EExtended strand (participates in β ladder)trans-94.4132.5178-51.7-56.1-57.400109.9C18 P53 L55 V122 L198 T200C18-M124 WeakPolarHBondContact SG-CE 3.43Å; P53-M124 HydrophobicContact CB-CB 4.38Å; P53-M124 HydrophobicContact CG-CB 4.15Å; P53-M124 PolarHBondContact O-N 3.13Å; L55-M124 HydrophobicContact CB-SD 4.44Å; V122-M124 HydrophobicContact CG1-SD 3.94Å; M124-L198 HydrophobicContact CB-CD1 4.27Å; M124-L198 HydrophobicContact CE-CB 3.67Å; M124-L198 HydrophobicContact CE-CD1 3.83Å; M124-L198 HydrophobicContact CE-CG 4.42Å; M124-T200 HydrophobicContact CE-CG2 3.65Å; M124-T200 HydrophobicContact SD-CG2 3.89Å
125A98.7Very high95.3Very high0 Ų040.9 Ų40.90%019%0.186CC..EExtended strand (participates in β ladder)trans-150.4157.3176.800000110.3T5 A6 G127 L198 L199 M201T5-A125 HydrophobicContact CG2-CB 4.37Å; A6-A125 CarbonylContact O-C 3.55Å; A6-A125 WeakPolarHBondContact O-CA 3.34Å; A6-A125 WeakPolarHBondContact O-CB 3.34Å; A125-G127 PolarHBondContact O-N 3.43Å; A125-L198 CarbonylContact O-C 3.57Å; A125-L198 WeakPolarHBondContact O-CA 3.32Å; A125-L198 WeakPolarHBondContact O-CD2 3.05Å; A125-L199 PolarHBondContact N-O 3.24Å; A125-L199 VanDerWaalsContact N-O 3.08Å; A125-L199 WeakPolarHBondContact O-CA 3.29Å; A125-L199 WeakPolarHBondContact O-CB 3.09Å; A125-L199 PolarHBondContact O-N 3.22Å; A125-M201 HydrophobicContact CB-CE 3.86Å
126D98.7Very high95.2Very high3 Ų350.7 Ų50.72%0.01623%0.228CC..SBendtrans-67-36.1168.8-50.4-21.2000109.7A6 C7 T8 F142 Y144 W196 L198A6-D126 HydrophobicContact CB-CB 4.28Å; A6-D126 PolarHBondContact O-N 2.72Å; C7-D126 WeakPolarHBondContact CA-OD2 3.28Å; C7-D126 PolarHBondContact N-OD2 2.95Å; T8-D126 VanDerWaalsContact CB-OD2 3.23Å; T8-D126 WeakPolarHBondContact CB-OD2 3.41Å; T8-D126 WeakPolarHBondContact CG2-OD2 3.49Å; T8-D126 PolarHBondContact N-OD1 3.2Å; T8-D126 PolarHBondContact N-OD2 2.94Å; T8-D126 PolarHBondContact OG1-OD2 3.26Å; D126-F142 HydrophobicContact CB-CZ 4.16Å; D126-Y144 WeakPolarHBondContact O-CB 3.43Å; D126-W196 PolarHBondContact O-NE1 2.88Å; D126-L198 WeakPolarHBondContact OD1-CD2 3.45Å
127G98.7Very high95.4Very high0 Ų052.3 Ų52.30%023%0.232CC..EExtended strand (participates in β ladder)trans175.5-175.4178.800000110.5T5 A6 A125 F142 I143T5-G127 WeakPolarHBondContact CA-O 3.43Å; T5-G127 WeakPolarHBondContact CB-O 3.39Å; A6-G127 PolarHBondContact N-O 2.81Å; A125-G127 PolarHBondContact O-N 3.43Å; G127-F142 VanDerWaalsContact C-CE2 3.45Å; G127-F142 VanDerWaalsContact CA-CE2 3.49Å; G127-I143 CarbonylContact C-O 3.51Å; G127-I143 WeakPolarHBondContact CA-O 3.18Å
128F98.8Very high95.5Very high2 Ų253.2 Ų53.21%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-126158.7177.373.4-80.3000112.4C2 R4 T5 E130 I143 L199 P239 L272C2-F128 HydrophobicContact CB-CD2 3.8Å; C2-F128 HydrophobicContact CB-CE2 4.33Å; C2-F128 HydrophobicContact CB-CG 4.39Å; C2-F128 VanDerWaalsContact SG-CB 3.51Å; R4-F128 WeakPolarHBondContact O-CA 3.5Å; T5-F128 HydrophobicContact CG2-CB 3.94Å; F128-E130 HydrophobicContact CD2-CB 4.46Å; F128-E130 HydrophobicContact CE2-CB 4.15Å; F128-I143 HydrophobicContact CD1-CB 4.03Å; F128-I143 HydrophobicContact CD1-CG2 4.26Å; F128-I143 HydrophobicContact CD2-CD1 4.27Å; F128-I143 HydrophobicContact CE1-CB 3.63Å; F128-I143 HydrophobicContact CE1-CD1 4.35Å; F128-I143 HydrophobicContact CE1-CG2 3.45Å; F128-I143 VanDerWaalsContact CE1-CG2 3.45Å; F128-I143 HydrophobicContact CE2-CB 4.23Å; F128-I143 HydrophobicContact CE2-CD1 3.5Å; F128-I143 VanDerWaalsContact CE2-CD1 3.5Å; F128-I143 HydrophobicContact CE2-CG1 4.43Å; F128-I143 HydrophobicContact CG-CB 4.5Å; F128-I143 HydrophobicContact CZ-CB 3.74Å; F128-I143 HydrophobicContact CZ-CD1 3.55Å; F128-I143 HydrophobicContact CZ-CG1 4.24Å; F128-I143 HydrophobicContact CZ-CG2 3.63Å; F128-I143 PolarHBondContact N-O 2.92Å; F128-I143 PolarHBondContact O-N 2.97Å; F128-L199 HydrophobicContact CD1-CD2 3.61Å; F128-L199 HydrophobicContact CE1-CD2 4.25Å; F128-P239 HydrophobicContact CD1-CG 4.06Å; F128-P239 HydrophobicContact CD2-CG 4.29Å; F128-P239 HydrophobicContact CE1-CG 4.01Å; F128-P239 HydrophobicContact CE2-CG 4.25Å; F128-P239 HydrophobicContact CG-CG 4.19Å; F128-P239 VanDerWaalsContact CZ-CD 3.45Å; F128-P239 HydrophobicContact CZ-CG 4.12Å; F128-L272 HydrophobicContact CE1-CD1 3.9Å
129Y98.6Very high95.7Very high0 Ų054.9 Ų54.90%024%0.243CC..EExtended strand (participates in β ladder)trans-101.9144.2173.9-52-86.6000111.3R4 A6 Y44 F141 F142 V277 V281 C291 L292R4-Y129 HydrophobicContact CB-CD2 3.85Å; R4-Y129 HydrophobicContact CB-CG 4.44Å; R4-Y129 HydrophobicContact CG-CD2 3.58Å; R4-Y129 HydrophobicContact CG-CE2 4.19Å; R4-Y129 HydrophobicContact CG-CG 4.42Å; R4-Y129 PolarHBondContact O-N 3.46Å; A6-Y129 HydrophobicContact CB-CE2 4.2Å; Y44-Y129 WeakPolarHBondContact O-CE2 3.45Å; Y44-Y129 PolarHBondContact O-OH 3.06Å; Y129-F141 WeakPolarHBondContact CA-O 3.24Å; Y129-F142 HydrophobicContact CD1-CB 4.09Å; Y129-F142 AromaticContact CD1-CD2 3.87Å; Y129-F142 HydrophobicContact CD1-CD2 3.87Å; Y129-F142 HydrophobicContact CD1-CG 4.46Å; Y129-F142 HydrophobicContact CE1-CB 4.03Å; Y129-F142 AromaticContact CE1-CD2 3.6Å; Y129-F142 HydrophobicContact CE1-CD2 3.6Å; Y129-F142 HydrophobicContact CE1-CE2 4.47Å; Y129-F142 HydrophobicContact CE1-CG 4.16Å; Y129-F142 HydrophobicContact CE2-CD2 4.48Å; Y129-F142 HydrophobicContact CG-CD2 4.43Å; Y129-F142 AromaticContact CZ-CD2 3.96Å; Y129-V277 HydrophobicContact CD1-CG2 4.24Å; Y129-V277 HydrophobicContact CE1-CG2 4.35Å; Y129-V281 HydrophobicContact CD1-CG1 4.47Å; Y129-V281 HydrophobicContact CD1-CG2 3.92Å; Y129-V281 HydrophobicContact CD2-CG2 4.09Å; Y129-V281 HydrophobicContact CE1-CB 4.48Å; Y129-V281 HydrophobicContact CE1-CG2 3.72Å; Y129-V281 HydrophobicContact CE2-CG2 3.88Å; Y129-V281 HydrophobicContact CG-CG2 4.08Å; Y129-C291 WeakPolarHBondContact CE1-O 3.49Å; Y129-C291 WeakPolarHBondContact OH-CB 3.47Å; Y129-L292 HydrophobicContact CE1-CD2 4.04Å; Y129-L292 WeakPolarHBondContact OH-CD2 3.38Å
130E98.4Very high95.7Very high13 Ų1354.1 Ų54.16%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-143.1150.5170.1-167.755-83.600110.5M1 C2 F128 F141 I143 I234 H235M1-E130 WeakPolarHBondContact CA-OE2 3.39Å; M1-E130 PolarHBondContact N-OE2 3.02Å; C2-E130 PolarHBondContact N-OE2 2.87Å; F128-E130 HydrophobicContact CD2-CB 4.46Å; F128-E130 HydrophobicContact CE2-CB 4.15Å; E130-F141 PolarHBondContact N-O 3.01Å; E130-F141 VanDerWaalsContact N-O 3.09Å; E130-F141 PolarHBondContact O-N 3.39Å; E130-I143 HydrophobicContact CB-CD1 3.79Å; E130-I234 HydrophobicContact CB-CG2 4.07Å; E130-I234 HydrophobicContact CG-CG2 4.02Å; E130-H235 HydrophobicContact CG-CB 3.49Å; E130-H235 VanDerWaalsContact CG-CB 3.49Å; E130-H235 IonicContact OE1-CD2 3.29Å; E130-H235 PolarHBondContact OE1-CD2 3.41Å; E130-H235 IonicContact OE2-CD2 3.67Å; E130-H235 PolarHBondContact OE2-CD2 2.94Å; E130-H235 IonicContact OE2-CG 2.82Å; E130-H235 IonicContact OE2-NE2 3.5Å
131W97.5Very high95.7Very high41 Ų4154.3 Ų54.316%0.15524%0.241CC..EExtended strand (participates in β ladder)trans-110.8111.7-173-75.2-98.5000111.1R4 R133 K138 Q139 P140 V281 N282R4-W131 HydrophobicContact CB-CH2 3.77Å; R4-W131 HydrophobicContact CB-CZ3 4.03Å; R4-W131 HydrophobicContact CG-CH2 4.2Å; W131-R133 PolarHBondContact O-N 2.95Å; W131-K138 HydrophobicContact CB-CB 4.19Å; W131-K138 HydrophobicContact CB-CD 4.33Å; W131-K138 HydrophobicContact CG-CB 4.37Å; W131-Q139 WeakPolarHBondContact CA-O 3.38Å; W131-P140 HydrophobicContact CG-CB 4.49Å; W131-V281 HydrophobicContact CZ2-CG1 4.09Å; W131-N282 PolarHBondContact NE1-OD1 3.29Å
132R96.3Very high95.7Very high76 Ų7654.5 Ų54.529%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-71.8124.3168.5-172.1169.367-170.72.4109.2V134 K138 Q139 F141 S233 I234R132-V134 HydrophobicContact CG-CG2 4.29Å; R132-K138 WeakPolarHBondContact O-CA 3.12Å; R132-Q139 PolarHBondContact N-O 3.07Å; R132-Q139 PolarHBondContact O-N 3.28Å; R132-F141 HydrophobicContact CB-CD2 4.15Å; R132-F141 HydrophobicContact CB-CE2 3.72Å; R132-S233 WeakPolarHBondContact CD-O 3.06Å; R132-S233 WeakPolarHBondContact CG-O 3.08Å; R132-I234 WeakPolarHBondContact CA-O 3.27Å; R132-I234 HydrophobicContact CB-CG2 4.25Å
133R92.7Very high95.7Very high193 Ų19354.6 Ų54.673%0.72824%0.242SC*.EExtended strand (participates in β ladder)trans-81.4122175.3-60.9-177.5-174.8-173.51.9108.9W131W131-R133 PolarHBondContact O-N 2.95Å
134V87.7Confident95.7Very high75 Ų7555.7 Ų55.746%0.45525%0.246SC..EExtended strand (participates in β ladder)trans-124100.8176.2-176.40000106.6R132 K136 E137R132-V134 HydrophobicContact CG-CG2 4.29Å; V134-K136 PolarHBondContact O-N 3.41Å; V134-E137 PolarHBondContact N-O 2.67Å; V134-E137 PolarHBondContact O-N 2.92Å; V134-E137 VanDerWaalsContact O-O 3.11Å
135E86.1Confident95.7Very high198 Ų19855.3 Ų55.393%0.92524%0.244SC*.THydrogen-bonded Turntrans49-105.6-173.7-59.4-178.4175.800113
136K86.2Confident95.6Very high207 Ų20758.6 Ų58.690%0.927%0.266SS*.THydrogen-bonded Turntrans-94.7-12-179.6-65.6-178.8-179.2174.70113.5V134V134-K136 PolarHBondContact O-N 3.41Å
137E90.1Very high95.5Very high155 Ų15560 Ų6072%0.72427%0.272SS*.EExtended strand (participates in β ladder)trans-107.5165-176.8-62.7-162.8168.500112.2V134V134-E137 PolarHBondContact N-O 2.67Å; V134-E137 PolarHBondContact O-N 2.92Å; V134-E137 VanDerWaalsContact O-O 3.11Å
138K94.1Very high94.8Very high123 Ų12369 Ų6954%0.53531%0.311SS..EExtended strand (participates in β ladder)trans-127.6121.4176.4-65.1-177.5-176.8175.40109.1W131 R132 P140W131-K138 HydrophobicContact CB-CB 4.19Å; W131-K138 HydrophobicContact CB-CD 4.33Å; W131-K138 HydrophobicContact CG-CB 4.37Å; R132-K138 WeakPolarHBondContact O-CA 3.12Å; K138-P140 WeakPolarHBondContact O-CD 3.36Å
139Q96.6Very high93.5Very high39 Ų3976 Ų7618%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-92.7113.8172.7176.755.753.500109.2W131 R132 F141 P276 V277 L297W131-Q139 WeakPolarHBondContact CA-O 3.38Å; R132-Q139 PolarHBondContact N-O 3.07Å; R132-Q139 PolarHBondContact O-N 3.28Å; Q139-F141 HydrophobicContact CB-CE2 4.04Å; Q139-F141 HydrophobicContact CG-CD2 4.13Å; Q139-F141 HydrophobicContact CG-CE2 3.45Å; Q139-F141 VanDerWaalsContact CG-CE2 3.45Å; Q139-F141 HydrophobicContact CG-CZ 3.87Å; Q139-F141 WeakPolarHBondContact O-CD2 3.3Å; Q139-P276 HydrophobicContact CG-CB 4.4Å; Q139-V277 PolarHBondContact NE2-O 3.24Å; Q139-L297 HydrophobicContact CG-CD1 4.4Å; Q139-L297 HydrophobicContact CG-CD2 4.33Å; Q139-L297 VanDerWaalsContact OE1-CD2 3.27Å
140P97.9Very high91.4Very high1 Ų177.1 Ų77.11%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-73.2143.2172.627.5-31000111.6W131 K138 V277 S278 V281W131-P140 HydrophobicContact CG-CB 4.49Å; K138-P140 WeakPolarHBondContact O-CD 3.36Å; P140-V277 HydrophobicContact CB-CG2 3.74Å; P140-V277 HydrophobicContact CG-CG2 3.94Å; P140-V277 WeakPolarHBondContact CG-O 3.01Å; P140-V277 PolarHBondContact O-N 3.24Å; P140-S278 WeakPolarHBondContact CG-O 3.45Å; P140-V281 HydrophobicContact CB-CG1 3.67Å; P140-V281 HydrophobicContact CG-CG1 3.96Å
141F98.4Very high88.7Confident6 Ų681.9 Ų81.93%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-123.5145.2171.3-73.3-95.3000109.2Y129 E130 R132 Q139 I143 I234 F274 H275 P276Y129-F141 WeakPolarHBondContact CA-O 3.24Å; E130-F141 PolarHBondContact N-O 3.01Å; E130-F141 VanDerWaalsContact N-O 3.09Å; E130-F141 PolarHBondContact O-N 3.39Å; R132-F141 HydrophobicContact CB-CD2 4.15Å; R132-F141 HydrophobicContact CB-CE2 3.72Å; Q139-F141 HydrophobicContact CB-CE2 4.04Å; Q139-F141 HydrophobicContact CG-CD2 4.13Å; Q139-F141 HydrophobicContact CG-CE2 3.45Å; Q139-F141 VanDerWaalsContact CG-CE2 3.45Å; Q139-F141 HydrophobicContact CG-CZ 3.87Å; Q139-F141 WeakPolarHBondContact O-CD2 3.3Å; F141-I143 HydrophobicContact CB-CG1 4.39Å; F141-I234 HydrophobicContact CB-CD1 4.1Å; F141-I234 HydrophobicContact CB-CG2 4.48Å; F141-I234 HydrophobicContact CD1-CD1 3.96Å; F141-I234 HydrophobicContact CD2-CD1 4.16Å; F141-I234 HydrophobicContact CD2-CG1 4.16Å; F141-I234 HydrophobicContact CD2-CG2 4.03Å; F141-I234 HydrophobicContact CE1-CD1 4.45Å; F141-I234 HydrophobicContact CE2-CG1 4.34Å; F141-I234 HydrophobicContact CG-CD1 3.8Å; F141-I234 HydrophobicContact CG-CG1 4.31Å; F141-I234 HydrophobicContact CG-CG2 4.44Å; F141-F274 AromaticContact CD1-CD2 3.67Å; F141-F274 HydrophobicContact CD1-CD2 3.67Å; F141-F274 HydrophobicContact CD1-CE2 4.24Å; F141-F274 HydrophobicContact CE1-CD2 4.03Å; F141-F274 HydrophobicContact CE1-CE2 4.18Å; F141-H275 WeakPolarHBondContact CA-O 3.38Å; F141-P276 HydrophobicContact CD1-CB 4.07Å; F141-P276 HydrophobicContact CE1-CB 3.75Å; F141-P276 HydrophobicContact CE1-CG 4.28Å; F141-P276 HydrophobicContact CZ-CB 4.18Å
142F98.7Very high86.1Confident3 Ų385.1 Ų85.11%0.01342%0.421CS..EExtended strand (participates in β ladder)trans-100.3127.6165-177.5-116.6000108.9A6 D126 G127 Y129 Y144 W196 F274 H275 V277 L292A6-F142 HydrophobicContact CB-CE2 3.93Å; A6-F142 HydrophobicContact CB-CZ 4.37Å; D126-F142 HydrophobicContact CB-CZ 4.16Å; G127-F142 VanDerWaalsContact C-CE2 3.45Å; G127-F142 VanDerWaalsContact CA-CE2 3.49Å; Y129-F142 HydrophobicContact CD1-CB 4.09Å; Y129-F142 AromaticContact CD1-CD2 3.87Å; Y129-F142 HydrophobicContact CD1-CD2 3.87Å; Y129-F142 HydrophobicContact CD1-CG 4.46Å; Y129-F142 HydrophobicContact CE1-CB 4.03Å; Y129-F142 AromaticContact CE1-CD2 3.6Å; Y129-F142 HydrophobicContact CE1-CD2 3.6Å; Y129-F142 HydrophobicContact CE1-CE2 4.47Å; Y129-F142 HydrophobicContact CE1-CG 4.16Å; Y129-F142 HydrophobicContact CE2-CD2 4.48Å; Y129-F142 HydrophobicContact CG-CD2 4.43Å; Y129-F142 AromaticContact CZ-CD2 3.96Å; F142-Y144 AromaticContact CD1-CD1 3.35Å; F142-Y144 HydrophobicContact CD1-CD1 3.35Å; F142-Y144 AromaticContact CD1-CE1 3.77Å; F142-Y144 HydrophobicContact CD1-CE1 3.77Å; F142-Y144 HydrophobicContact CD1-CG 4.15Å; F142-Y144 AromaticContact CE1-CD1 3.49Å; F142-Y144 HydrophobicContact CE1-CD1 3.49Å; F142-Y144 VanDerWaalsContact CE1-CD1 3.49Å; F142-Y144 HydrophobicContact CE1-CE1 4.18Å; F142-Y144 AromaticContact CE1-CG 3.8Å; F142-Y144 HydrophobicContact CE1-CG 3.8Å; F142-Y144 HydrophobicContact CG-CD1 4.24Å; F142-Y144 HydrophobicContact CZ-CD1 4.47Å; F142-W196 HydrophobicContact CE1-CZ2 4.2Å; F142-F274 WeakPolarHBondContact O-CA 3.5Å; F142-F274 WeakPolarHBondContact O-CB 3.36Å; F142-H275 AromaticContact CD1-CE1 3.86Å; F142-H275 AromaticContact CD1-NE2 3.92Å; F142-H275 PolarHBondContact N-O 3.36Å; F142-H275 PolarHBondContact O-N 3.45Å; F142-H275 VanDerWaalsContact O-N 3.1Å; F142-V277 HydrophobicContact CB-CG1 3.71Å; F142-L292 HydrophobicContact CD1-CD2 3.8Å; F142-L292 HydrophobicContact CD2-CD2 3.46Å; F142-L292 VanDerWaalsContact CD2-CD2 3.46Å; F142-L292 HydrophobicContact CE1-CD2 3.69Å; F142-L292 HydrophobicContact CE2-CD2 3.34Å; F142-L292 HydrophobicContact CG-CD2 3.69Å; F142-L292 HydrophobicContact CZ-CD2 3.46Å; F142-L292 VanDerWaalsContact CZ-CD2 3.46Å
143I98.7Very high83.4Confident3 Ų390.3 Ų90.32%0.01545%0.449CS..EExtended strand (participates in β ladder)trans-123.7127.3-171.5-55.5161.9000108.6G127 F128 E130 F141 L231 I234 L272 T273 F274G127-I143 CarbonylContact C-O 3.51Å; G127-I143 WeakPolarHBondContact CA-O 3.18Å; F128-I143 HydrophobicContact CD1-CB 4.03Å; F128-I143 HydrophobicContact CD1-CG2 4.26Å; F128-I143 HydrophobicContact CD2-CD1 4.27Å; F128-I143 HydrophobicContact CE1-CB 3.63Å; F128-I143 HydrophobicContact CE1-CD1 4.35Å; F128-I143 HydrophobicContact CE1-CG2 3.45Å; F128-I143 VanDerWaalsContact CE1-CG2 3.45Å; F128-I143 HydrophobicContact CE2-CB 4.23Å; F128-I143 HydrophobicContact CE2-CD1 3.5Å; F128-I143 VanDerWaalsContact CE2-CD1 3.5Å; F128-I143 HydrophobicContact CE2-CG1 4.43Å; F128-I143 HydrophobicContact CG-CB 4.5Å; F128-I143 HydrophobicContact CZ-CB 3.74Å; F128-I143 HydrophobicContact CZ-CD1 3.55Å; F128-I143 HydrophobicContact CZ-CG1 4.24Å; F128-I143 HydrophobicContact CZ-CG2 3.63Å; F128-I143 PolarHBondContact N-O 2.92Å; F128-I143 PolarHBondContact O-N 2.97Å; E130-I143 HydrophobicContact CB-CD1 3.79Å; F141-I143 HydrophobicContact CB-CG1 4.39Å; I143-L231 HydrophobicContact CD1-CD2 4.05Å; I143-L231 HydrophobicContact CG1-CD2 4.19Å; I143-L231 HydrophobicContact CG2-CD1 4.01Å; I143-L231 HydrophobicContact CG2-CD2 3.9Å; I143-I234 HydrophobicContact CD1-CD1 4.45Å; I143-L272 HydrophobicContact CG2-CB 3.98Å; I143-L272 HydrophobicContact CG2-CD1 3.84Å; I143-T273 WeakPolarHBondContact CA-O 3.4Å; I143-F274 HydrophobicContact CB-CB 4.26Å; I143-F274 HydrophobicContact CG1-CB 3.73Å; I143-F274 HydrophobicContact CG2-CB 4.44Å
144Y98.6Very high80.6Confident23 Ų2390.3 Ų90.39%0.0946%0.457CS..EExtended strand (participates in β ladder)trans-155.3167.3-168.555.6-76000111.3D126 F142 Q147 W196 L272 T273 H275D126-Y144 WeakPolarHBondContact O-CB 3.43Å; F142-Y144 AromaticContact CD1-CD1 3.35Å; F142-Y144 HydrophobicContact CD1-CD1 3.35Å; F142-Y144 AromaticContact CD1-CE1 3.77Å; F142-Y144 HydrophobicContact CD1-CE1 3.77Å; F142-Y144 HydrophobicContact CD1-CG 4.15Å; F142-Y144 AromaticContact CE1-CD1 3.49Å; F142-Y144 HydrophobicContact CE1-CD1 3.49Å; F142-Y144 VanDerWaalsContact CE1-CD1 3.49Å; F142-Y144 HydrophobicContact CE1-CE1 4.18Å; F142-Y144 AromaticContact CE1-CG 3.8Å; F142-Y144 HydrophobicContact CE1-CG 3.8Å; F142-Y144 HydrophobicContact CG-CD1 4.24Å; F142-Y144 HydrophobicContact CZ-CD1 4.47Å; Y144-Q147 HydrophobicContact CD2-CG 4.08Å; Y144-Q147 HydrophobicContact CE2-CG 4.14Å; Y144-W196 AromaticContact CD2-CH2 3.83Å; Y144-W196 HydrophobicContact CD2-CH2 3.83Å; Y144-W196 AromaticContact CD2-CZ2 3.53Å; Y144-W196 HydrophobicContact CD2-CZ2 3.53Å; Y144-W196 AromaticContact CE2-CH2 3.94Å; Y144-W196 HydrophobicContact CE2-CH2 3.94Å; Y144-W196 HydrophobicContact CE2-CZ2 4.13Å; Y144-W196 AromaticContact CG-CZ2 3.99Å; Y144-W196 HydrophobicContact CG-CZ2 3.99Å; Y144-L272 WeakPolarHBondContact O-CA 3.45Å; Y144-T273 HydrophobicContact CD2-CG2 4.09Å; Y144-T273 HydrophobicContact CE1-CG2 4.29Å; Y144-T273 HydrophobicContact CE2-CG2 3.68Å; Y144-T273 PolarHBondContact N-O 2.97Å; Y144-T273 PolarHBondContact O-N 3.06Å; Y144-T273 VanDerWaalsContact O-O 3.12Å; Y144-H275 AromaticContact CE1-CE1 3.39Å; Y144-H275 WeakPolarHBondContact CE1-CE1 3.32Å; Y144-H275 AromaticContact CE1-ND1 3.32Å; Y144-H275 VanDerWaalsContact CE1-ND1 3.32Å; Y144-H275 WeakPolarHBondContact CE1-ND1 3.39Å; Y144-H275 AromaticContact CZ-CE1 3.75Å; Y144-H275 AromaticContact CZ-ND1 3.56Å; Y144-H275 PolarHBondContact OH-CE1 3.07Å; Y144-H275 PolarHBondContact OH-ND1 3.17Å
145F98.2Very high78.2Confident1 Ų198.2 Ų98.20%0.00448%0.479CS..  trans-65.7144.4169.7-78.3-55.2000110.6Q147 R197 L198 L199 T200 V241 D243 V271 L272F145-Q147 PolarHBondContact O-N 3.01Å; F145-Q147 PolarHBondContact O-NE2 2.86Å; F145-R197 HydrophobicContact CB-CG 4.43Å; F145-R197 HydrophobicContact CD2-CG 4.3Å; F145-L198 WeakPolarHBondContact CD2-O 3.46Å; F145-L199 HydrophobicContact CD2-CB 4.39Å; F145-L199 HydrophobicContact CD2-CD1 3.88Å; F145-L199 HydrophobicContact CE1-CD1 4.4Å; F145-L199 HydrophobicContact CE2-CD1 3.78Å; F145-L199 HydrophobicContact CG-CD1 4.25Å; F145-L199 HydrophobicContact CZ-CD1 4.04Å; F145-T200 WeakPolarHBondContact CE2-OG1 3.3Å; F145-V241 HydrophobicContact CE1-CG1 3.56Å; F145-V241 HydrophobicContact CE2-CG1 4.23Å; F145-V241 HydrophobicContact CZ-CG1 3.25Å; F145-D243 HydrophobicContact CE1-CB 4.45Å; F145-V271 HydrophobicContact CD1-CG2 4.37Å; F145-V271 HydrophobicContact CE1-CG2 3.83Å; F145-L272 HydrophobicContact CD1-CD2 3.58Å; F145-L272 HydrophobicContact CE1-CD2 3.83Å; F145-L272 HydrophobicContact CG-CD2 4.21Å
146P97.4Very high75.7Confident69 Ų6998.4 Ų98.445%0.44848%0.477SS..  trans-51.6135.6165.9-26.234.4000111.6V271 T273P146-V271 WeakPolarHBondContact CD-O 3.35Å; P146-T273 HydrophobicContact CB-CG2 4.49Å; P146-T273 HydrophobicContact CG-CG2 4.16Å
147Q95.1Very high73.2Confident31 Ų3196.9 Ų96.915%0.14547%0.473CS..  trans-104.9138.9-175.7-57.5-63.8-44.500109.7Y144 F145 N149 G150 W196 R197Y144-Q147 HydrophobicContact CD2-CG 4.08Å; Y144-Q147 HydrophobicContact CE2-CG 4.14Å; F145-Q147 PolarHBondContact O-N 3.01Å; F145-Q147 PolarHBondContact O-NE2 2.86Å; Q147-N149 PolarHBondContact O-N 2.77Å; Q147-G150 PolarHBondContact O-N 3.36Å; Q147-W196 HydrophobicContact CG-CD2 4.09Å; Q147-W196 HydrophobicContact CG-CE3 3.9Å; Q147-W196 HydrophobicContact CG-CH2 3.64Å; Q147-W196 HydrophobicContact CG-CZ2 3.82Å; Q147-W196 HydrophobicContact CG-CZ3 3.68Å; Q147-R197 PolarHBondContact NE2-O 3.17Å
148K85.8Confident70.4Confident189 Ų18996.4 Ų96.482%0.82248%0.475SS*.THydrogen-bonded Turntrans-59.6-34.5-179.2-68.4-178.2-179.6176.50112.7E192K148-E192 IonicContact NZ-OE1 2.72Å
149N69.6Low67.4Low150 Ų15099.9 Ų99.980%0.80249%0.493SS*.THydrogen-bonded Turntrans-11930-179.4-60.6-21.1000112.6Q147Q147-N149 PolarHBondContact O-N 2.77Å
150G54.8Low64.3Low24 Ų24106.5 Ų106.525%0.24752%0.524CS..SBendtrans-65.4164.5178.900000112.4Q147 S152Q147-G150 PolarHBondContact O-N 3.36Å; G150-S152 PolarHBondContact O-N 3.32Å
151P43.2Very low61.1Low112 Ų112115.6 Ų115.673%0.72757%0.566SS**  trans-59.2102.6172.224.9-31.4000108.2Q153P151-Q153 PolarHBondContact O-N 3.3Å
152S41.7Very low57.6Low109 Ų109121.8 Ų121.876%0.76260%0.6SS**  trans-54.4122.8174.5-45.40000107.7G150 E154G150-S152 PolarHBondContact O-N 3.32Å; S152-E154 PolarHBondContact O-N 2.71Å
153Q40.2Very low54.4Low185 Ų185128.4 Ų128.486%0.86464%0.64SS**  trans-54.9125.2155.3-75-176.8-51.300106.8P151 R155P151-Q153 PolarHBondContact O-N 3.3Å; Q153-R155 PolarHBondContact O-N 3.43Å
154E34.4Very low51.1Low194 Ų194133.3 Ų133.391%0.90767%0.67SS**  trans-44.4107.2178.4-69.2173169.100110S152S152-E154 PolarHBondContact O-N 2.71Å
155R36.9Very low47.7Very low240 Ų240138.6 Ų138.691%0.90671%0.705SS**  trans-84.2118.1160.7-95.5-173.5-87.8-168.6-4.2106.1Q153 E157Q153-R155 PolarHBondContact O-N 3.43Å; R155-E157 PolarHBondContact O-N 3.39Å
156K33.3Very low44.6Very low203 Ų203143.5 Ų143.588%0.88374%0.74SS**  trans-44.9131.4175.1-66.6179.7174.5-176.30110.9
157E33.1Very low41.4Very low175 Ų175145.1 Ų145.182%0.81875%0.753SS**  trans-58.6135.5164.7-69.8172.5151.800109.9R155R155-E157 PolarHBondContact O-N 3.39Å
158D31Very low38.2Very low144 Ų144149.6 Ų149.677%0.7778%0.782SS**  164104.2125.9-82.9-20.6000109.3
159Q31.9Very low35.4Very low196 Ų196145.7 Ų145.792%0.91678%0.778SS**  178.9121.4110.2-94.51765900110.8
160Q30.5Very low33.5Very low179 Ų179145.8 Ų145.884%0.83678%0.778SS**  trans-80135.4176.9-171.4155.220.400109.9
161Q30.6Very low32.2Very low191 Ų191150.4 Ų150.489%0.89380%0.802SS**  trans-154.4114147-113.1168.236.600111
162D26.8Very low31.6Very low136 Ų136151.8 Ų151.873%0.72781%0.808SS**  trans-36139.9156.7-98.1-41.8000113.3
163V31.6Very low31Very low143 Ų143151.8 Ų151.887%0.86780%0.803SS**  -155.7127.9123.41790000109.8
164T28Very low30.4Very low105 Ų105148 Ų14864%0.64480%0.797SS**  trans-67170.1175.238.50000117
165T28.2Very low30.1Very low134 Ų134148 Ų14882%0.82280%0.797SS**  trans88.8141.3158.373.90000116.3
166S31.9Very low29.9Very low104 Ų104146.9 Ų146.973%0.72780%0.799SS**  cis-161.6133.42.545.70000107.9
167S31.7Very low29.7Very low104 Ų104140.8 Ų140.873%0.72779%0.794SS**  23.4111.9114.1175.20000116.5
168T27.3Very low29.7Very low124 Ų124141.6 Ų141.676%0.76180%0.798SS**  trans-157.2116.2130-63.30000109.7
169C26.5Very low29.7Very low108 Ų108142.6 Ų142.673%0.7380%0.801SS**  trans-84.1134.6164.548.30000109.4
170N30.1Very low29.7Very low152 Ų152138.1 Ų138.181%0.81379%0.792SS**  trans-124.7112.8163.9-90.7-8.1000110.1
171T26.8Very low30.1Very low121 Ų121138 Ų13874%0.74279%0.791SS**  trans-78.8128.9166.6-60.30000108.9V173T171-V173 HydrophobicContact CG2-CG2 4Å
172V30.8Very low30.2Very low140 Ų140135.9 Ų135.985%0.84879%0.786SS**  trans-131.7131.7160.8-176.30000107.9
173V29.7Very low30.7Very low110 Ų110138 Ų13867%0.66780%0.796SS**  trans-110.3147.2-174173.90000109.3T171T171-V173 HydrophobicContact CG2-CG2 4Å
174S27.2Very low31.2Very low106 Ų106135.1 Ų135.174%0.74179%0.787SS**  trans75.8143.2165.1-67.20000116.3
175E28.6Very low31.8Very low193 Ų193139.3 Ų139.390%0.90280%0.799SS**  cis-146.9165.938.5-76.9178.9139.600114.2
176K32.8Very low32.4Very low216 Ų216141.6 Ų141.694%0.93980%0.8SS**  trans-70.2143.1176-68.6174.4172-178.10112.5
177G28.4Very low33.3Very low76 Ų76141.8 Ų141.878%0.78480%0.802SS**  trans-156.9106.6159.800000110.1
178E34.3Very low34.7Very low191 Ų191145.5 Ų145.589%0.89381%0.808SS**  trans-74.1137.3165.4-70.1173.7151.500109
179I30.5Very low36.3Very low165 Ų165143.1 Ų143.185%0.84680%0.801SS**  trans-164.5123.3147.7-91.2142000109.5
180S31.3Very low38.2Very low102 Ų102140 Ų14071%0.71378%0.779SS**  trans19123.1157.963.40000123.1
181H40Very low40.3Very low176 Ų176137 Ų13782%0.81578%0.776SS**  35.499.2117.6-123.1-84.9000118.1
182D31.8Very low43.1Very low148 Ų148137.5 Ų137.579%0.79177%0.769SS**  -179.590.5125.1-90.3-17.6000108.6A184D182-A184 VanDerWaalsContact C-N 3.3Å; D182-A184 PolarHBondContact O-N 2.96Å
183L37.1Very low46Very low181 Ų181133.7 Ų133.795%0.94874%0.74SS**  trans-79.183.6173.8-68.6172.8000108.8E185L183-E185 PolarHBondContact O-N 3.32Å
184A42.3Very low48.9Very low81 Ų81134.3 Ų134.367%0.66974%0.744SS**  trans-59.2126.5145.800000106.6D182 E186D182-A184 VanDerWaalsContact C-N 3.3Å; D182-A184 PolarHBondContact O-N 2.96Å; A184-E186 VanDerWaalsContact C-N 3.26Å; A184-E186 PolarHBondContact O-N 3.32Å
185E40.1Very low52.1Low193 Ų193131.1 Ų131.190%0.90273%0.728SS**  trans-56.395.8168.6-73.6179.1159.300107.9L183 S187L183-E185 PolarHBondContact O-N 3.32Å; E185-S187 PolarHBondContact O-N 3.02Å
186E41.2Very low55.3Low182 Ų182125.9 Ų125.985%0.8570%0.7SS**  trans-59.596.8161.2-74.2-172.5160.300105.4A184 E188A184-E186 VanDerWaalsContact C-N 3.26Å; A184-E186 PolarHBondContact O-N 3.32Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 2.87Å
187S50.8Low58.4Low108 Ų108120.3 Ų120.376%0.75567%0.673SS**  trans-64.498.5175.980.80000106.5E185 A189E185-S187 PolarHBondContact O-N 3.02Å; S187-A189 PolarHBondContact O-N 3.41Å; S187-A189 VanDerWaalsContact O-N 3.09Å
188E60.4Low61.7Low182 Ų182117.1 Ų117.185%0.8564%0.638SS**PPolyproline II helixtrans-49.3122.4170.6-69-168.116300107.5E186E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 2.87Å
189A61.8Low64.7Low74 Ų74108 Ų10861%0.61260%0.596SS**PPolyproline II helixtrans-54.4131.9179.400000108S187 A191S187-A189 PolarHBondContact O-N 3.41Å; S187-A189 VanDerWaalsContact O-N 3.09Å; A189-A191 PolarHBondContact O-N 3.13Å
190P65.4Low68Low43 Ų43101 Ų10128%0.27956%0.56SS.*PPolyproline II helixtrans-57.6129.1-173.121.8-31.9000109.2R27R27-P190 WeakPolarHBondContact CD-O 3.43Å; R27-P190 HydrophobicContact CG-CG 3.92Å
191A75.2Confident71.2Confident90 Ų9096.1 Ų96.174%0.74453%0.527SS*.PPolyproline II helixtrans-49.7145.2-177.100000111.5A189 W193A189-A191 PolarHBondContact O-N 3.13Å; A191-W193 PolarHBondContact O-N 2.79Å
192E85.1Confident74Confident130 Ų13087.8 Ų87.861%0.60749%0.488SS*.PPolyproline II helixtrans-60.3132.2178.9-170179.6168.100110.4K148 T194K148-E192 IonicContact NZ-OE1 2.72Å; E192-T194 PolarHBondContact O-N 3.3Å
193W91.5Very high77.2Confident60 Ų6080.7 Ų80.723%0.22745%0.45CS..PPolyproline II helixtrans-67.6120.9177172.9-107.7000110.7L9 E13 R16 A17 A191 G195 W196L9-W193 HydrophobicContact CD1-CH2 4.37Å; L9-W193 HydrophobicContact CD1-CZ2 3.83Å; L9-W193 HydrophobicContact CD2-CZ2 4.44Å; E13-W193 HydrophobicContact CB-CH2 4.13Å; E13-W193 HydrophobicContact CG-CH2 4.35Å; R16-W193 HydrophobicContact CB-CE3 3.75Å; R16-W193 HydrophobicContact CB-CZ3 4.06Å; A17-W193 HydrophobicContact CB-CD2 3.98Å; A17-W193 HydrophobicContact CB-CG 4.2Å; A17-W193 HydrophobicContact CB-CZ2 3.99Å; A191-W193 PolarHBondContact O-N 2.79Å; W193-G195 VanDerWaalsContact CE2-CA 3.45Å; W193-G195 VanDerWaalsContact CZ2-CA 3.5Å; W193-G195 VanDerWaalsContact NE1-C 3.31Å; W193-G195 PolarHBondContact NE1-O 3.37Å; W193-W196 PolarHBondContact NE1-O 3.01Å
194T91.6Very high80.1Confident123 Ų12372.1 Ų72.176%0.75541%0.405SS*.  trans-104.8-3.9-179.255.70000113.8E192E192-T194 PolarHBondContact O-N 3.3Å
195G94Very high82.7Confident40 Ų4068.3 Ų68.341%0.41237%0.373SS..SBendtrans-80.8-157.6-178.900000113.7W193 R197W193-G195 VanDerWaalsContact CE2-CA 3.45Å; W193-G195 VanDerWaalsContact CZ2-CA 3.5Å; W193-G195 VanDerWaalsContact NE1-C 3.31Å; W193-G195 PolarHBondContact NE1-O 3.37Å; G195-R197 PolarHBondContact O-N 3.33Å
196W95.6Very high85.4Confident83 Ų8359.3 Ų59.331%0.31433%0.331SS..  trans-60129.4-178.2-168.9-91.2000111.6D126 F142 Y144 Q147 W193 L198D126-W196 PolarHBondContact O-NE1 2.88Å; F142-W196 HydrophobicContact CE1-CZ2 4.2Å; Y144-W196 AromaticContact CD2-CH2 3.83Å; Y144-W196 HydrophobicContact CD2-CH2 3.83Å; Y144-W196 AromaticContact CD2-CZ2 3.53Å; Y144-W196 HydrophobicContact CD2-CZ2 3.53Å; Y144-W196 AromaticContact CE2-CH2 3.94Å; Y144-W196 HydrophobicContact CE2-CH2 3.94Å; Y144-W196 HydrophobicContact CE2-CZ2 4.13Å; Y144-W196 AromaticContact CG-CZ2 3.99Å; Y144-W196 HydrophobicContact CG-CZ2 3.99Å; Q147-W196 HydrophobicContact CG-CD2 4.09Å; Q147-W196 HydrophobicContact CG-CE3 3.9Å; Q147-W196 HydrophobicContact CG-CH2 3.64Å; Q147-W196 HydrophobicContact CG-CZ2 3.82Å; Q147-W196 HydrophobicContact CG-CZ3 3.68Å; W193-W196 PolarHBondContact NE1-O 3.01Å; W196-L198 PolarHBondContact O-N 2.61Å
197R97.1Very high88Confident99 Ų9952.2 Ų52.237%0.37430%0.301SS..  trans-75.9105172.2-177.6-175.5-178-160.2-1.3108.8F145 Q147 G195 D243F145-R197 HydrophobicContact CB-CG 4.43Å; F145-R197 HydrophobicContact CD2-CG 4.3Å; Q147-R197 PolarHBondContact NE2-O 3.17Å; G195-R197 PolarHBondContact O-N 3.33Å; R197-D243 IonicContact CZ-OD1 3.88Å; R197-D243 IonicContact NH1-OD1 3.11Å; R197-D243 IonicContact NH2-OD1 2.67Å; R197-D243 PolarHBondContact NH2-OD1 3.02Å
198L98.3Very high90.1Very high9 Ų947.3 Ų47.35%0.04727%0.266CS..  trans-63.7138.8177.2-65.5174.9000111.5L9 A17 M124 A125 D126 F145 W196L9-L198 HydrophobicContact CD1-CD1 4.07Å; L9-L198 HydrophobicContact CD1-CD2 3.82Å; L9-L198 HydrophobicContact CD1-CG 4.04Å; L9-L198 HydrophobicContact CG-CD2 4.31Å; A17-L198 HydrophobicContact CB-CD1 3.67Å; A17-L198 HydrophobicContact CB-CG 4.16Å; M124-L198 HydrophobicContact CB-CD1 4.27Å; M124-L198 HydrophobicContact CE-CB 3.67Å; M124-L198 HydrophobicContact CE-CD1 3.83Å; M124-L198 HydrophobicContact CE-CG 4.42Å; A125-L198 CarbonylContact O-C 3.57Å; A125-L198 WeakPolarHBondContact O-CA 3.32Å; A125-L198 WeakPolarHBondContact O-CD2 3.05Å; D126-L198 WeakPolarHBondContact OD1-CD2 3.45Å; F145-L198 WeakPolarHBondContact CD2-O 3.46Å; W196-L198 PolarHBondContact O-N 2.61Å
199L98.7Very high91.7Very high0 Ų042.3 Ų42.30%025%0.248CC..EExtended strand (participates in β ladder)trans-67.4130.2165.4-17467.9000110.6A125 F128 F145 M201 V241 L272A125-L199 PolarHBondContact N-O 3.24Å; A125-L199 VanDerWaalsContact N-O 3.08Å; A125-L199 WeakPolarHBondContact O-CA 3.29Å; A125-L199 WeakPolarHBondContact O-CB 3.09Å; A125-L199 PolarHBondContact O-N 3.22Å; F128-L199 HydrophobicContact CD1-CD2 3.61Å; F128-L199 HydrophobicContact CE1-CD2 4.25Å; F145-L199 HydrophobicContact CD2-CB 4.39Å; F145-L199 HydrophobicContact CD2-CD1 3.88Å; F145-L199 HydrophobicContact CE1-CD1 4.4Å; F145-L199 HydrophobicContact CE2-CD1 3.78Å; F145-L199 HydrophobicContact CG-CD1 4.25Å; F145-L199 HydrophobicContact CZ-CD1 4.04Å; L199-M201 HydrophobicContact CD2-CG 3.87Å; L199-M201 HydrophobicContact CD2-SD 3.97Å; L199-M201 HydrophobicContact CG-CG 3.95Å; L199-V241 HydrophobicContact CD1-CG1 3.98Å; L199-V241 HydrophobicContact CD1-CG2 3.91Å; L199-L272 HydrophobicContact CD1-CD2 3.65Å
200T98.7Very high93.2Very high17 Ų1740.2 Ų40.210%0.10423%0.228CC..EExtended strand (participates in β ladder)trans-111.199.8-178.535.90000109.5V122 M124 F145 L242 V248V122-T200 HydrophobicContact CG1-CG2 3.78Å; M124-T200 HydrophobicContact CE-CG2 3.65Å; M124-T200 HydrophobicContact SD-CG2 3.89Å; F145-T200 WeakPolarHBondContact CE2-OG1 3.3Å; T200-L242 PolarHBondContact O-N 3.14Å; T200-L242 PolarHBondContact OG1-O 3.4Å; T200-V248 HydrophobicContact CG2-CG2 4.01Å
201M98.8Very high94.5Very high0 Ų042.1 Ų42.10%024%0.241CC..EExtended strand (participates in β ladder)trans-100.8131.6-178.9-58.6176.5-7600110.8T5 V122 I123 A125 L199 G203 V222 P239 A240T5-M201 HydrophobicContact CG2-CE 3.98Å; V122-M201 CarbonylContact C-O 3.51Å; V122-M201 WeakPolarHBondContact CA-O 3.44Å; I123-M201 HydrophobicContact CB-CB 4.34Å; I123-M201 HydrophobicContact CB-CE 4.08Å; I123-M201 VanDerWaalsContact CD1-O 3.3Å; I123-M201 WeakPolarHBondContact CD1-O 3.08Å; I123-M201 HydrophobicContact CG2-CE 3.81Å; I123-M201 PolarHBondContact N-O 3.13Å; I123-M201 PolarHBondContact O-N 3.09Å; A125-M201 HydrophobicContact CB-CE 3.86Å; L199-M201 HydrophobicContact CD2-CG 3.87Å; L199-M201 HydrophobicContact CD2-SD 3.97Å; L199-M201 HydrophobicContact CG-CG 3.95Å; M201-G203 PolarHBondContact O-N 3.39Å; M201-V222 HydrophobicContact CB-CG1 4.44Å; M201-V222 HydrophobicContact SD-CG1 4.32Å; M201-P239 HydrophobicContact CB-CB 4.24Å; M201-P239 HydrophobicContact CG-CB 3.77Å; M201-P239 HydrophobicContact CG-CG 4.38Å; M201-P239 HydrophobicContact SD-CB 3.63Å; M201-P239 HydrophobicContact SD-CG 3.66Å; M201-A240 WeakPolarHBondContact CA-O 2.96Å
202A98.6Very high95.1Very high0 Ų041.6 Ų41.60%025%0.245CC..EExtended strand (participates in β ladder)trans-67.2130.9175.100000110.8I223 A240 L242 W251 L266A202-I223 HydrophobicContact CB-CD1 4.06Å; A202-I223 WeakPolarHBondContact O-CB 3.38Å; A202-I223 PolarHBondContact O-N 2.89Å; A202-A240 HydrophobicContact CB-CB 4.11Å; A202-A240 PolarHBondContact N-O 3.31Å; A202-L242 HydrophobicContact CB-CD1 4Å; A202-L242 HydrophobicContact CB-CD2 4.23Å; A202-L242 HydrophobicContact CB-CG 4.02Å; A202-W251 HydrophobicContact CB-CD2 4.24Å; A202-W251 HydrophobicContact CB-CZ2 4.09Å; A202-L266 HydrophobicContact CB-CD2 3.63Å
203G98.2Very high95.3Very high0 Ų038 Ų380%024%0.242CC..EExtended strand (participates in β ladder)trans-134.8163.4175.800000113.2C121 I123 M201 S221 W251C121-G203 PolarHBondContact N-O 3.07Å; C121-G203 PolarHBondContact O-N 2.69Å; C121-G203 VanDerWaalsContact O-O 3.13Å; I123-G203 VanDerWaalsContact CD1-CA 3.43Å; M201-G203 PolarHBondContact O-N 3.39Å; G203-S221 VanDerWaalsContact CA-O 3.24Å; G203-S221 WeakPolarHBondContact CA-O 3.38Å; G203-W251 PolarHBondContact O-NE1 3.15Å
204V97.9Very high95.2Very high0 Ų037.7 Ų37.70%026%0.257CS..EExtended strand (participates in β ladder)trans-115.6144.1164.3-70.30000108.5L79 I104 Y110 P114 L115 Q119 Y220 S221 I223L79-V204 HydrophobicContact CD1-CG2 4.12Å; I104-V204 HydrophobicContact CD1-CG1 4.24Å; Y110-V204 HydrophobicContact CD1-CG2 3.98Å; P114-V204 HydrophobicContact CB-CB 3.92Å; P114-V204 HydrophobicContact CB-CG1 4.45Å; L115-V204 HydrophobicContact CD2-CG1 3.89Å; L115-V204 HydrophobicContact CG-CG1 4.18Å; Q119-V204 WeakPolarHBondContact O-CA 3.41Å; V204-Y220 CarbonylContact O-C 3.52Å; V204-Y220 VanDerWaalsContact O-CA 3.28Å; V204-Y220 WeakPolarHBondContact O-CA 3.4Å; V204-S221 PolarHBondContact N-O 3.45Å; V204-S221 VanDerWaalsContact N-O 3.17Å; V204-S221 PolarHBondContact O-N 2.88Å; V204-I223 HydrophobicContact CG1-CD1 4.28Å
205F97.9Very high95.2Very high2 Ų238 Ų381%0.00925%0.25CS..EExtended strand (participates in β ladder)trans-123.6159.7177.575.3-89.3000111.6V56 H60 M75 P114 Q119 C121 Y218 T219V56-F205 HydrophobicContact CG2-CD1 4.43Å; V56-F205 HydrophobicContact CG2-CE1 3.55Å; V56-F205 HydrophobicContact CG2-CZ 3.86Å; H60-F205 HydrophobicContact CB-CZ 4.28Å; H60-F205 AromaticContact CD2-CZ 3.8Å; H60-F205 AromaticContact CG-CZ 3.78Å; H60-F205 AromaticContact ND1-CZ 3.99Å; H60-F205 AromaticContact NE2-CZ 4Å; M75-F205 HydrophobicContact CE-CB 4.36Å; M75-F205 HydrophobicContact CE-CD1 4.31Å; M75-F205 HydrophobicContact CE-CD2 3.93Å; M75-F205 HydrophobicContact CE-CE2 4.27Å; M75-F205 HydrophobicContact CE-CG 3.95Å; M75-F205 HydrophobicContact SD-CB 3.63Å; M75-F205 HydrophobicContact SD-CD2 4.16Å; M75-F205 HydrophobicContact SD-CG 3.91Å; P114-F205 WeakPolarHBondContact CB-O 3.46Å; Q119-F205 HydrophobicContact CB-CD1 3.78Å; Q119-F205 HydrophobicContact CB-CD2 4.05Å; Q119-F205 HydrophobicContact CB-CE1 3.58Å; Q119-F205 HydrophobicContact CB-CE2 3.85Å; Q119-F205 HydrophobicContact CB-CG 4.02Å; Q119-F205 HydrophobicContact CB-CZ 3.61Å; Q119-F205 WeakPolarHBondContact CB-O 3.24Å; Q119-F205 HydrophobicContact CG-CD2 4.42Å; Q119-F205 HydrophobicContact CG-CE1 4.33Å; Q119-F205 HydrophobicContact CG-CE2 3.9Å; Q119-F205 HydrophobicContact CG-CZ 3.85Å; Q119-F205 VanDerWaalsContact O-CD1 3.27Å; Q119-F205 WeakPolarHBondContact O-CD1 3.44Å; Q119-F205 PolarHBondContact O-N 3.1Å; C121-F205 HydrophobicContact CB-CD1 3.88Å; F205-Y218 HydrophobicContact CD2-CD1 4.11Å; F205-Y218 HydrophobicContact CE2-CD1 4.13Å; F205-Y218 HydrophobicContact CE2-CE1 4.29Å; F205-T219 CarbonylContact C-O 3.5Å; F205-T219 WeakPolarHBondContact CA-O 3.46Å; F205-T219 VanDerWaalsContact CB-O 3.28Å; F205-T219 WeakPolarHBondContact CB-O 3.24Å
206D96.8Very high95.2Very high3 Ų337.6 Ų37.62%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-137.9162.1167.1-154.8-1.4000110.2L79 P81 A82 P114 Q119 T219L79-D206 HydrophobicContact CD1-CB 4.29Å; L79-D206 HydrophobicContact CD2-CB 4.36Å; L79-D206 HydrophobicContact CG-CB 4.19Å; P81-D206 WeakPolarHBondContact CA-OD2 3.17Å; A82-D206 PolarHBondContact N-OD2 3.43Å; P114-D206 HydrophobicContact CG-CB 4.2Å; Q119-D206 PolarHBondContact NE2-OD1 2.87Å; D206-T219 PolarHBondContact N-O 3.08Å; D206-T219 PolarHBondContact O-N 3.05Å
207C95.4Very high95.2Very high33 Ų3335.7 Ų35.722%0.22324%0.239CC..EExtended strand (participates in β ladder)trans-115.3114.2-179.8-177.90000108.8A82 Y218A82-C207 WeakPolarHBondContact CB-O 3.09Å; C207-Y218 HydrophobicContact CB-CD1 4.17Å; C207-Y218 HydrophobicContact CB-CE1 3.93Å
208W95.2Very high95.2Very high5 Ų532.9 Ų32.92%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-112.9129.7-179.7171.679.9000110.2I80 F84 E86 P89 P210 L217I80-W208 HydrophobicContact CB-CB 4.02Å; I80-W208 HydrophobicContact CB-CG 4.27Å; I80-W208 HydrophobicContact CD1-CE3 4.31Å; I80-W208 HydrophobicContact CG2-CB 3.73Å; I80-W208 HydrophobicContact CG2-CD2 3.83Å; I80-W208 HydrophobicContact CG2-CE3 4.42Å; I80-W208 HydrophobicContact CG2-CG 3.47Å; I80-W208 VanDerWaalsContact CG2-CG 3.47Å; F84-W208 HydrophobicContact CD1-CZ2 4.38Å; F84-W208 AromaticContact CD1-NE1 3.9Å; F84-W208 PolarHBondContact O-NE1 2.99Å; E86-W208 WeakPolarHBondContact O-CZ2 3.39Å; P89-W208 HydrophobicContact CG-CE3 4.25Å; P89-W208 HydrophobicContact CG-CH2 3.98Å; P89-W208 HydrophobicContact CG-CZ3 3.58Å; W208-P210 HydrophobicContact CE3-CG 4.44Å; W208-P210 HydrophobicContact CH2-CB 3.8Å; W208-P210 HydrophobicContact CH2-CG 3.72Å; W208-P210 HydrophobicContact CZ2-CB 4.25Å; W208-P210 HydrophobicContact CZ2-CG 4.48Å; W208-P210 HydrophobicContact CZ3-CB 4.29Å; W208-P210 HydrophobicContact CZ3-CG 3.69Å; W208-L217 HydrophobicContact CE3-CB 4.03Å; W208-L217 HydrophobicContact CE3-CD2 4.14Å; W208-L217 HydrophobicContact CZ3-CD2 4.32Å; W208-L217 PolarHBondContact N-O 3.38Å; W208-L217 PolarHBondContact O-N 3.44Å
209T94.7Very high95.2Very high77 Ų7732.5 Ų32.547%0.47223%0.226SC..  trans-107.1130.5175.2-56.50000109.1
210P93.6Very high95.1Very high30 Ų3032.5 Ų32.520%0.19523%0.227CC..  trans-55.6133.4177-23.431.1000112.2W208 G212 G213 E215W208-P210 HydrophobicContact CE3-CG 4.44Å; W208-P210 HydrophobicContact CH2-CB 3.8Å; W208-P210 HydrophobicContact CH2-CG 3.72Å; W208-P210 HydrophobicContact CZ2-CB 4.25Å; W208-P210 HydrophobicContact CZ2-CG 4.48Å; W208-P210 HydrophobicContact CZ3-CB 4.29Å; W208-P210 HydrophobicContact CZ3-CG 3.69Å; P210-G212 PolarHBondContact O-N 2.77Å; P210-G212 VanDerWaalsContact O-N 3.13Å; P210-G213 PolarHBondContact O-N 2.67Å; P210-E215 WeakPolarHBondContact CD-O 3.34Å
211P91.5Very high95.1Very high83 Ų8331.7 Ų31.754%0.53922%0.222SC..THydrogen-bonded Turntrans-57.8-28.3179.3-24.228.9000114.4K85 G213K85-P211 VanDerWaalsContact O-CG 3.28Å; K85-P211 WeakPolarHBondContact O-CG 3.48Å; P211-G213 VanDerWaalsContact C-N 3.25Å; P211-G213 PolarHBondContact O-N 3.5Å
212G88.8Confident95.1Very high80 Ų8031.7 Ų31.783%0.82522%0.222SC*.THydrogen-bonded Turntrans-82.25.1176.700000114.7P210P210-G212 PolarHBondContact O-N 2.77Å; P210-G212 VanDerWaalsContact O-N 3.13Å
213G88.3Confident95Very high53 Ų5331.7 Ų31.755%0.54622%0.222SC..  trans85.6155.3-169.900000112.7P210 P211P210-G213 PolarHBondContact O-N 2.67Å; P211-G213 VanDerWaalsContact C-N 3.25Å; P211-G213 PolarHBondContact O-N 3.5Å
214G89.4Confident95Very high54 Ų5431.7 Ų31.756%0.55722%0.222SC*.  trans148.5-179.8-178.300000112.7
215E91Very high95Very high130 Ų13032 Ų3261%0.60722%0.223SC*.PPolyproline II helixtrans-67139.3172.6-166.7-173167.700110.1K39 P210 L217K39-E215 IonicContact NZ-OE1 4Å; K39-E215 PolarHBondContact NZ-OE1 3.43Å; P210-E215 WeakPolarHBondContact CD-O 3.34Å; E215-L217 PolarHBondContact O-N 2.84Å
216A94.1Very high95Very high31 Ų3136.2 Ų36.226%0.25625%0.246SC..PPolyproline II helixtrans-67.4130.2174.900000110.8Y218A216-Y218 HydrophobicContact CB-CE2 4.49Å
217L95.4Very high95.1Very high44 Ų4436.2 Ų36.223%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-98.6117-178.8-178.960.9000110.2R76 I80 P89 W208 E215 T219R76-L217 HydrophobicContact CB-CD1 4.32Å; I80-L217 HydrophobicContact CD1-CD2 3.59Å; P89-L217 HydrophobicContact CG-CD2 3.94Å; W208-L217 HydrophobicContact CE3-CB 4.03Å; W208-L217 HydrophobicContact CE3-CD2 4.14Å; W208-L217 HydrophobicContact CZ3-CD2 4.32Å; W208-L217 PolarHBondContact N-O 3.38Å; W208-L217 PolarHBondContact O-N 3.44Å; E215-L217 PolarHBondContact O-N 2.84Å; L217-T219 HydrophobicContact CD2-CG2 4.03Å; L217-T219 HydrophobicContact CG-CG2 3.74Å
218Y97.6Very high95.1Very high40 Ų4034.7 Ų34.716%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-87.1127.6173.2-69.8-99000110.1F61 M75 R76 F205 C207 A216F61-Y218 HydrophobicContact CE1-CD1 4.28Å; F61-Y218 AromaticContact CE1-CE1 3.57Å; F61-Y218 HydrophobicContact CE1-CE1 3.57Å; F61-Y218 HydrophobicContact CE1-CE2 4.22Å; F61-Y218 AromaticContact CE1-CZ 3.53Å; F61-Y218 HydrophobicContact CZ-CE1 4.15Å; M75-Y218 HydrophobicContact CE-CD1 4.07Å; M75-Y218 HydrophobicContact CE-CG 4.5Å; R76-Y218 PolarHBondContact N-O 2.58Å; F205-Y218 HydrophobicContact CD2-CD1 4.11Å; F205-Y218 HydrophobicContact CE2-CD1 4.13Å; F205-Y218 HydrophobicContact CE2-CE1 4.29Å; C207-Y218 HydrophobicContact CB-CD1 4.17Å; C207-Y218 HydrophobicContact CB-CE1 3.93Å; A216-Y218 HydrophobicContact CB-CE2 4.49Å
219T97.9Very high95.2Very high0 Ų039 Ų390%027%0.265CS..EExtended strand (participates in β ladder)trans-136.8147.8-174.761.40000111R76 L79 I80 F205 D206 L217R76-T219 HydrophobicContact CB-CG2 3.9Å; R76-T219 HydrophobicContact CG-CG2 4.47Å; R76-T219 CarbonylContact O-C 3.49Å; R76-T219 VanDerWaalsContact O-CA 3.23Å; R76-T219 WeakPolarHBondContact O-CA 3.42Å; L79-T219 WeakPolarHBondContact CA-OG1 3.44Å; I80-T219 HydrophobicContact CB-CG2 4.14Å; I80-T219 HydrophobicContact CD1-CG2 3.57Å; I80-T219 HydrophobicContact CG1-CG2 3.77Å; I80-T219 PolarHBondContact N-OG1 3.01Å; F205-T219 CarbonylContact C-O 3.5Å; F205-T219 WeakPolarHBondContact CA-O 3.46Å; F205-T219 VanDerWaalsContact CB-O 3.28Å; F205-T219 WeakPolarHBondContact CB-O 3.24Å; D206-T219 PolarHBondContact N-O 3.08Å; D206-T219 PolarHBondContact O-N 3.05Å; L217-T219 HydrophobicContact CD2-CG2 4.03Å; L217-T219 HydrophobicContact CG-CG2 3.74Å
220Y98.1Very high95.3Very high1 Ų137.3 Ų37.30%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-128.7158.6-176.773.8-93.3000113.6S52 V54 M75 R76 W77 G78 L79 I123 V204 V222S52-Y220 WeakPolarHBondContact CB-OH 3.49Å; S52-Y220 PolarHBondContact OG-OH 2.85Å; S52-Y220 VanDerWaalsContact OG-OH 3.1Å; V54-Y220 HydrophobicContact CG1-CD1 4.08Å; V54-Y220 HydrophobicContact CG1-CE1 4.26Å; M75-Y220 HydrophobicContact CB-CD1 3.71Å; M75-Y220 HydrophobicContact CB-CE1 4.41Å; M75-Y220 WeakPolarHBondContact O-CE1 3.44Å; R76-Y220 WeakPolarHBondContact O-CD1 3.44Å; R76-Y220 PolarHBondContact O-N 3.24Å; W77-Y220 HydrophobicContact CB-CE1 3.83Å; W77-Y220 HydrophobicContact CB-CE2 4.06Å; W77-Y220 VanDerWaalsContact CB-CZ 3.48Å; W77-Y220 WeakPolarHBondContact CB-OH 3.41Å; W77-Y220 AromaticContact CD1-CE2 3.47Å; W77-Y220 VanDerWaalsContact CD1-CE2 3.47Å; W77-Y220 AromaticContact CD1-CZ 3.85Å; W77-Y220 HydrophobicContact CD2-CE2 4.21Å; W77-Y220 HydrophobicContact CG-CE1 4.36Å; W77-Y220 AromaticContact CG-CE2 3.67Å; W77-Y220 HydrophobicContact CG-CE2 3.67Å; W77-Y220 AromaticContact CG-CZ 3.56Å; W77-Y220 AromaticContact NE1-CE2 3.96Å; G78-Y220 CarbonylContact C-O 3.55Å; G78-Y220 WeakPolarHBondContact CA-O 3.34Å; G78-Y220 PolarHBondContact N-O 2.93Å; L79-Y220 PolarHBondContact N-O 3.35Å; L79-Y220 VanDerWaalsContact N-O 3.13Å; I123-Y220 HydrophobicContact CB-CE2 4.49Å; I123-Y220 HydrophobicContact CD1-CD2 3.96Å; I123-Y220 HydrophobicContact CD1-CE2 4.27Å; I123-Y220 HydrophobicContact CG1-CD2 3.53Å; I123-Y220 HydrophobicContact CG1-CE2 3.48Å; I123-Y220 VanDerWaalsContact CG1-CE2 3.48Å; I123-Y220 HydrophobicContact CG1-CG 4.19Å; I123-Y220 HydrophobicContact CG2-CE2 4.16Å; V204-Y220 CarbonylContact O-C 3.52Å; V204-Y220 VanDerWaalsContact O-CA 3.28Å; V204-Y220 WeakPolarHBondContact O-CA 3.4Å; Y220-V222 HydrophobicContact CD2-CG2 4.2Å; Y220-V222 HydrophobicContact CE2-CG2 3.74Å
221S97.8Very high95.4Very high0 Ų036.1 Ų36.10%025%0.245CC..EExtended strand (participates in β ladder)trans-120.2135.7167.8-156.10000109.7T96 N98 C99 G203 V204T96-S221 VanDerWaalsContact O-CB 3.3Å; T96-S221 WeakPolarHBondContact O-CB 3.47Å; T96-S221 PolarHBondContact O-OG 3.16Å; N98-S221 WeakPolarHBondContact CA-OG 3.41Å; N98-S221 PolarHBondContact N-OG 3.42Å; C99-S221 PolarHBondContact N-OG 3.07Å; G203-S221 VanDerWaalsContact CA-O 3.24Å; G203-S221 WeakPolarHBondContact CA-O 3.38Å; V204-S221 PolarHBondContact N-O 3.45Å; V204-S221 VanDerWaalsContact N-O 3.17Å; V204-S221 PolarHBondContact O-N 2.88Å
222V98.3Very high95.6Very high0 Ų037.6 Ų37.60%025%0.245CC..EExtended strand (participates in β ladder)trans-80.2125.3175179.20000109.1W77 S97 N98 C99 I123 M201 Y220 P239W77-V222 HydrophobicContact CZ2-CG2 4.01Å; S97-V222 PolarHBondContact O-N 3.09Å; N98-V222 CarbonylContact C-O 3.54Å; N98-V222 WeakPolarHBondContact CA-O 3.45Å; C99-V222 PolarHBondContact N-O 2.97Å; I123-V222 HydrophobicContact CD1-CG2 4.35Å; I123-V222 HydrophobicContact CG1-CG2 4.45Å; M201-V222 HydrophobicContact CB-CG1 4.44Å; M201-V222 HydrophobicContact SD-CG1 4.32Å; Y220-V222 HydrophobicContact CD2-CG2 4.2Å; Y220-V222 HydrophobicContact CE2-CG2 3.74Å; V222-P239 HydrophobicContact CG1-CB 3.98Å; V222-P239 HydrophobicContact CG1-CG 4.5Å
223I98.1Very high95.9Very high0 Ų037.4 Ų37.40%023%0.231CC..EExtended strand (participates in β ladder)trans-72.7135.2174.2-60.6164.4000109C99 I104 A202 V204 P239 A240 W251 L266C99-I223 CarbonylContact O-C 3.57Å; C99-I223 VanDerWaalsContact O-CA 3.29Å; C99-I223 WeakPolarHBondContact O-CA 3.26Å; C99-I223 WeakPolarHBondContact SG-CG1 3.4Å; I104-I223 HydrophobicContact CD1-CD1 3.9Å; I104-I223 HydrophobicContact CD1-CG1 4Å; A202-I223 HydrophobicContact CB-CD1 4.06Å; A202-I223 WeakPolarHBondContact O-CB 3.38Å; A202-I223 PolarHBondContact O-N 2.89Å; V204-I223 HydrophobicContact CG1-CD1 4.28Å; I223-P239 CarbonylContact O-C 3.5Å; I223-P239 WeakPolarHBondContact O-CA 3.36Å; I223-A240 HydrophobicContact CB-CB 4.11Å; I223-A240 HydrophobicContact CG2-CB 3.91Å; I223-A240 PolarHBondContact O-N 3.16Å; I223-W251 HydrophobicContact CD1-CH2 3.43Å; I223-W251 VanDerWaalsContact CD1-CH2 3.43Å; I223-W251 HydrophobicContact CD1-CZ2 3.33Å; I223-L266 HydrophobicContact CB-CD2 4.45Å; I223-L266 HydrophobicContact CD1-CD1 4.03Å; I223-L266 HydrophobicContact CD1-CD2 3.83Å; I223-L266 HydrophobicContact CG2-CD1 4.02Å; I223-L266 HydrophobicContact CG2-CD2 4.04Å; I223-L266 HydrophobicContact CG2-CG 4.48Å
224T98.2Very high96.3Very high0 Ų035.3 Ų35.30%021%0.207CC..EExtended strand (participates in β ladder)trans-118.9144.5177.558.40000111.2M1 N98 C99 S101 R237 M238M1-T224 HydrophobicContact CG-CG2 4.5Å; N98-T224 HydrophobicContact CB-CG2 3.92Å; C99-T224 PolarHBondContact O-N 3.4Å; C99-T224 PolarHBondContact O-OG1 3.03Å; S101-T224 PolarHBondContact N-O 3.21Å; S101-T224 PolarHBondContact OG-O 3.2Å; T224-R237 PolarHBondContact O-NH2 3.02Å; T224-M238 CarbonylContact C-O 3.56Å; T224-M238 VanDerWaalsContact CA-O 3.25Å; T224-M238 WeakPolarHBondContact CA-O 3.42Å; T224-M238 WeakPolarHBondContact CB-O 3.29Å
225V97.9Very high96.7Very high5 Ų534.7 Ų34.73%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-124.4174.8176-67.20000109.4R237 M238 A240 L266V225-R237 WeakPolarHBondContact O-CA 3.19Å; V225-R237 WeakPolarHBondContact O-CD 3.4Å; V225-R237 PolarHBondContact O-NE 3.25Å; V225-R237 VanDerWaalsContact O-NE 3.14Å; V225-M238 HydrophobicContact CG2-CG 3.75Å; V225-M238 PolarHBondContact N-O 3.46Å; V225-M238 PolarHBondContact O-N 3.45Å; V225-A240 HydrophobicContact CG1-CB 3.97Å; V225-L266 HydrophobicContact CG1-CB 4.42Å; V225-L266 WeakPolarHBondContact CG1-O 3.42Å
226N97.8Very high97Very high91 Ų9133 Ų3349%0.48719%0.185SC..EExtended strand (participates in β ladder)trans-59.4146.3168.1-68-29.6000110.4R237 S268N226-R237 PolarHBondContact OD1-NH1 2.93Å; N226-S268 VanDerWaalsContact O-CB 3.23Å; N226-S268 WeakPolarHBondContact O-CB 3.15Å
227A97.6Very high97.1Very high3 Ų331.8 Ų31.83%0.02517%0.173CC..PPolyproline II helixtrans-67.2141.1175.800000111.7L231 Q232 H235 D236A227-L231 HydrophobicContact CB-CB 4.24Å; A227-Q232 HydrophobicContact CB-CG 3.89Å; A227-Q232 WeakPolarHBondContact O-CG 3.5Å; A227-Q232 PolarHBondContact O-NE2 2.83Å; A227-H235 WeakPolarHBondContact CB-O 3.46Å; A227-D236 PolarHBondContact N-O 2.97Å
228S96.8Very high97.3Very high1 Ų129.9 Ų29.91%0.00716%0.163CC..PPolyproline II helixtrans-62.6155168.148.30000110.9N230 L231 Q232 M238S228-N230 WeakPolarHBondContact CB-OD1 3.41Å; S228-N230 PolarHBondContact O-N 3.2Å; S228-N230 VanDerWaalsContact O-N 3.12Å; S228-N230 PolarHBondContact OG-OD1 3.42Å; S228-L231 PolarHBondContact O-N 2.72Å; S228-Q232 WeakPolarHBondContact O-CG 3.43Å; S228-Q232 PolarHBondContact O-N 3.45Å; S228-M238 PolarHBondContact N-SD 2.97Å; S228-M238 VanDerWaalsContact N-SD 3.38Å
229P96.6Very high97.3Very high96 Ų9628 Ų2862%0.62316%0.156SC*.Hα-helixtrans-50.5-40.4-175.9-3036.9000114.5L231 Q232P229-L231 VanDerWaalsContact C-N 3.3Å; P229-L231 PolarHBondContact O-N 2.9Å; P229-Q232 PolarHBondContact O-N 2.94Å
230N95.9Very high97.3Very high42 Ų4228 Ų2823%0.22516%0.156CC..Hα-helixtrans-64.5-28.4177.872.9-33.1000114.1S228 D270 L272 F274S228-N230 WeakPolarHBondContact CB-OD1 3.41Å; S228-N230 PolarHBondContact O-N 3.2Å; S228-N230 VanDerWaalsContact O-N 3.12Å; S228-N230 PolarHBondContact OG-OD1 3.42Å; N230-D270 WeakPolarHBondContact CB-OD1 3.48Å; N230-D270 PolarHBondContact ND2-OD1 3.43Å; N230-D270 PolarHBondContact OD1-OD1 2.78Å; N230-D270 VanDerWaalsContact OD1-OD1 3.1Å; N230-L272 PolarHBondContact ND2-O 2.91Å; N230-F274 WeakPolarHBondContact O-CE1 3.36Å
231L97Very high97.3Very high5 Ų528 Ų283%0.02616%0.156CC..Hα-helixtrans-100.1-14.4-177.9-68.2179.9000113.8I143 A227 S228 P229 S233 I234 H235 M238 L272 F274I143-L231 HydrophobicContact CD1-CD2 4.05Å; I143-L231 HydrophobicContact CG1-CD2 4.19Å; I143-L231 HydrophobicContact CG2-CD1 4.01Å; I143-L231 HydrophobicContact CG2-CD2 3.9Å; A227-L231 HydrophobicContact CB-CB 4.24Å; S228-L231 PolarHBondContact O-N 2.72Å; P229-L231 VanDerWaalsContact C-N 3.3Å; P229-L231 PolarHBondContact O-N 2.9Å; L231-S233 PolarHBondContact O-N 3.33Å; L231-S233 VanDerWaalsContact O-N 3.16Å; L231-I234 HydrophobicContact CD2-CD1 4.05Å; L231-I234 WeakPolarHBondContact O-CA 3.49Å; L231-I234 WeakPolarHBondContact O-CB 3.35Å; L231-I234 PolarHBondContact O-N 3.27Å; L231-H235 PolarHBondContact O-N 3.45Å; L231-H235 VanDerWaalsContact O-N 3.14Å; L231-M238 HydrophobicContact CD1-CB 4.42Å; L231-M238 HydrophobicContact CD1-CE 3.8Å; L231-M238 HydrophobicContact CD1-SD 4.13Å; L231-L272 HydrophobicContact CD1-CB 4.36Å; L231-L272 HydrophobicContact CD1-CD1 4.04Å; L231-F274 HydrophobicContact CD2-CD1 3.37Å; L231-F274 HydrophobicContact CD2-CE1 3.75Å; L231-F274 HydrophobicContact CD2-CG 4.22Å
232Q95.6Very high97.4Very high114 Ų11428 Ų2853%0.53316%0.156SC..Hα-helixtrans-57.3-32-178.2-81.6173.737.700113A227 S228 P229 I234A227-Q232 HydrophobicContact CB-CG 3.89Å; A227-Q232 WeakPolarHBondContact O-CG 3.5Å; A227-Q232 PolarHBondContact O-NE2 2.83Å; S228-Q232 WeakPolarHBondContact O-CG 3.43Å; S228-Q232 PolarHBondContact O-N 3.45Å; P229-Q232 PolarHBondContact O-N 2.94Å; Q232-I234 PolarHBondContact O-N 2.97Å
233S95.1Very high97.3Very high76 Ų7630.5 Ų30.553%0.53117%0.17SC..THydrogen-bonded Turntrans-66.8-20.3175.872.10000113.6R132 L231R132-S233 WeakPolarHBondContact CD-O 3.06Å; R132-S233 WeakPolarHBondContact CG-O 3.08Å; L231-S233 PolarHBondContact O-N 3.33Å; L231-S233 VanDerWaalsContact O-N 3.16Å
234I96.8Very high97.1Very high9 Ų932 Ų325%0.04619%0.185CC..THydrogen-bonded Turntrans-91.3-50.1177.5-59.8172.3000110.1E130 R132 F141 I143 L231 Q232 F274E130-I234 HydrophobicContact CB-CG2 4.07Å; E130-I234 HydrophobicContact CG-CG2 4.02Å; R132-I234 WeakPolarHBondContact CA-O 3.27Å; R132-I234 HydrophobicContact CB-CG2 4.25Å; F141-I234 HydrophobicContact CB-CD1 4.1Å; F141-I234 HydrophobicContact CB-CG2 4.48Å; F141-I234 HydrophobicContact CD1-CD1 3.96Å; F141-I234 HydrophobicContact CD2-CD1 4.16Å; F141-I234 HydrophobicContact CD2-CG1 4.16Å; F141-I234 HydrophobicContact CD2-CG2 4.03Å; F141-I234 HydrophobicContact CE1-CD1 4.45Å; F141-I234 HydrophobicContact CE2-CG1 4.34Å; F141-I234 HydrophobicContact CG-CD1 3.8Å; F141-I234 HydrophobicContact CG-CG1 4.31Å; F141-I234 HydrophobicContact CG-CG2 4.44Å; I143-I234 HydrophobicContact CD1-CD1 4.45Å; L231-I234 HydrophobicContact CD2-CD1 4.05Å; L231-I234 WeakPolarHBondContact O-CA 3.49Å; L231-I234 WeakPolarHBondContact O-CB 3.35Å; L231-I234 PolarHBondContact O-N 3.27Å; Q232-I234 PolarHBondContact O-N 2.97Å; I234-F274 HydrophobicContact CD1-CD1 4.07Å; I234-F274 HydrophobicContact CD1-CD2 3.69Å; I234-F274 HydrophobicContact CD1-CE1 4.13Å; I234-F274 HydrophobicContact CD1-CE2 3.77Å; I234-F274 HydrophobicContact CD1-CG 3.83Å; I234-F274 HydrophobicContact CD1-CZ 3.98Å
235H97.1Very high96.9Very high41 Ų4135.8 Ų35.819%0.1920%0.203CC..  trans-158.7153.1179.8-160.8-63.8000110.8M1 E130 A227 L231 R237M1-H235 PolarHBondContact N-CD2 3.08Å; M1-H235 PolarHBondContact N-CE1 3.49Å; M1-H235 PolarHBondContact N-NE2 3.13Å; E130-H235 HydrophobicContact CG-CB 3.49Å; E130-H235 VanDerWaalsContact CG-CB 3.49Å; E130-H235 IonicContact OE1-CD2 3.29Å; E130-H235 PolarHBondContact OE1-CD2 3.41Å; E130-H235 IonicContact OE2-CD2 3.67Å; E130-H235 PolarHBondContact OE2-CD2 2.94Å; E130-H235 IonicContact OE2-CG 2.82Å; E130-H235 IonicContact OE2-NE2 3.5Å; A227-H235 WeakPolarHBondContact CB-O 3.46Å; L231-H235 PolarHBondContact O-N 3.45Å; L231-H235 VanDerWaalsContact O-N 3.14Å; H235-R237 PolarHBondContact ND1-N 3.1Å; H235-R237 VanDerWaalsContact ND1-N 3.19Å; H235-R237 PolarHBondContact O-N 3.47Å
236D96.9Very high96.8Very high95 Ų9540.4 Ų40.451%0.50823%0.227SC..SBendtrans-71.4-8.6177.169.8-47.6000114.8A227A227-D236 PolarHBondContact N-O 2.97Å
237R97.5Very high96.8Very high5 Ų537.6 Ų37.62%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-134.6146.6-173.8-60.5-62.1-71.5-170.5-4.3111M1 R100 E102 T224 V225 N226 H235M1-R237 HydrophobicContact CG-CB 4.19Å; M1-R237 HydrophobicContact CG-CG 4.29Å; R100-R237 VanDerWaalsContact NH2-NH1 3.14Å; E102-R237 IonicContact OE1-CZ 2.69Å; E102-R237 IonicContact OE1-NH1 3.84Å; E102-R237 PolarHBondContact OE1-NH1 2.92Å; E102-R237 IonicContact OE1-NH2 3.72Å; E102-R237 PolarHBondContact OE1-NH2 2.83Å; E102-R237 IonicContact OE2-CZ 3.69Å; E102-R237 IonicContact OE2-NH1 3.67Å; E102-R237 IonicContact OE2-NH2 3.67Å; E102-R237 PolarHBondContact OE2-NH2 2.83Å; T224-R237 PolarHBondContact O-NH2 3.02Å; V225-R237 WeakPolarHBondContact O-CA 3.19Å; V225-R237 WeakPolarHBondContact O-CD 3.4Å; V225-R237 PolarHBondContact O-NE 3.25Å; V225-R237 VanDerWaalsContact O-NE 3.14Å; N226-R237 PolarHBondContact OD1-NH1 2.93Å; H235-R237 PolarHBondContact ND1-N 3.1Å; H235-R237 VanDerWaalsContact ND1-N 3.19Å; H235-R237 PolarHBondContact O-N 3.47Å
238M97.9Very high96.8Very high3 Ų338.2 Ų38.22%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-137.5161.8172.468-176.6-66.600110.9T224 V225 S228 L231 V241 L272T224-M238 CarbonylContact C-O 3.56Å; T224-M238 VanDerWaalsContact CA-O 3.25Å; T224-M238 WeakPolarHBondContact CA-O 3.42Å; T224-M238 WeakPolarHBondContact CB-O 3.29Å; V225-M238 HydrophobicContact CG2-CG 3.75Å; V225-M238 PolarHBondContact N-O 3.46Å; V225-M238 PolarHBondContact O-N 3.45Å; S228-M238 PolarHBondContact N-SD 2.97Å; S228-M238 VanDerWaalsContact N-SD 3.38Å; L231-M238 HydrophobicContact CD1-CB 4.42Å; L231-M238 HydrophobicContact CD1-CE 3.8Å; L231-M238 HydrophobicContact CD1-SD 4.13Å; M238-V241 HydrophobicContact CE-CG2 4.4Å; M238-L272 HydrophobicContact CE-CD1 3.49Å; M238-L272 VanDerWaalsContact CE-CD1 3.49Å; M238-L272 HydrophobicContact CE-CG 4.25Å
239P98.4Very high96.8Very high0 Ų041.6 Ų41.60%023%0.228CC..EExtended strand (participates in β ladder)trans-57.9146.5166.9-20.933.2000111.4C2 F128 M201 V222 I223 V241C2-P239 HydrophobicContact CB-CG 3.69Å; F128-P239 HydrophobicContact CD1-CG 4.06Å; F128-P239 HydrophobicContact CD2-CG 4.29Å; F128-P239 HydrophobicContact CE1-CG 4.01Å; F128-P239 HydrophobicContact CE2-CG 4.25Å; F128-P239 HydrophobicContact CG-CG 4.19Å; F128-P239 VanDerWaalsContact CZ-CD 3.45Å; F128-P239 HydrophobicContact CZ-CG 4.12Å; M201-P239 HydrophobicContact CB-CB 4.24Å; M201-P239 HydrophobicContact CG-CB 3.77Å; M201-P239 HydrophobicContact CG-CG 4.38Å; M201-P239 HydrophobicContact SD-CB 3.63Å; M201-P239 HydrophobicContact SD-CG 3.66Å; V222-P239 HydrophobicContact CG1-CB 3.98Å; V222-P239 HydrophobicContact CG1-CG 4.5Å; I223-P239 CarbonylContact O-C 3.5Å; I223-P239 WeakPolarHBondContact O-CA 3.36Å; P239-V241 PolarHBondContact O-N 2.96Å
240A98.4Very high96.8Very high0 Ų042.1 Ų42.10%022%0.218CC..  trans-71.1111.3167.300000108.8M201 A202 I223 V225 L266M201-A240 WeakPolarHBondContact CA-O 2.96Å; A202-A240 HydrophobicContact CB-CB 4.11Å; A202-A240 PolarHBondContact N-O 3.31Å; I223-A240 HydrophobicContact CB-CB 4.11Å; I223-A240 HydrophobicContact CG2-CB 3.91Å; I223-A240 PolarHBondContact O-N 3.16Å; V225-A240 HydrophobicContact CG1-CB 3.97Å; A240-L266 HydrophobicContact CB-CB 4.47Å; A240-L266 HydrophobicContact CB-CD2 3.74Å
241V98.4Very high96.9Very high2 Ų240.1 Ų40.11%0.01221%0.207CC..BIsolated β-bridgetrans-97.2130.7-175.6175.40000110.8F145 L199 M238 P239 K269 V271 L272F145-V241 HydrophobicContact CE1-CG1 3.56Å; F145-V241 HydrophobicContact CE2-CG1 4.23Å; F145-V241 HydrophobicContact CZ-CG1 3.25Å; L199-V241 HydrophobicContact CD1-CG1 3.98Å; L199-V241 HydrophobicContact CD1-CG2 3.91Å; M238-V241 HydrophobicContact CE-CG2 4.4Å; P239-V241 PolarHBondContact O-N 2.96Å; V241-K269 PolarHBondContact O-NZ 3.4Å; V241-V271 HydrophobicContact CG1-CG2 4.48Å; V241-L272 HydrophobicContact CG1-CD2 4.4Å; V241-L272 HydrophobicContact CG2-CD1 4.05Å; V241-L272 HydrophobicContact CG2-CD2 4.43Å
242L98.5Very high96.9Very high1 Ų140 Ų401%0.00521%0.207CC..  trans-95.8114.2174.5-59.6172.3000107.5V122 T200 A202 D247 V248 W251 L265V122-L242 HydrophobicContact CG1-CD1 4.43Å; V122-L242 HydrophobicContact CG2-CD1 3.54Å; T200-L242 PolarHBondContact O-N 3.14Å; T200-L242 PolarHBondContact OG1-O 3.4Å; A202-L242 HydrophobicContact CB-CD1 4Å; A202-L242 HydrophobicContact CB-CD2 4.23Å; A202-L242 HydrophobicContact CB-CG 4.02Å; L242-D247 HydrophobicContact CB-CB 4.06Å; L242-D247 HydrophobicContact CD2-CB 4.34Å; L242-V248 HydrophobicContact CB-CG2 3.95Å; L242-W251 HydrophobicContact CD1-CB 3.56Å; L242-W251 HydrophobicContact CD1-CD2 4.4Å; L242-W251 HydrophobicContact CD1-CG 3.55Å; L242-W251 HydrophobicContact CD2-CB 4.13Å; L242-W251 HydrophobicContact CD2-CG 4.34Å; L242-L265 HydrophobicContact CD2-CB 4.18Å
243D96.7Very high96.9Very high52 Ų5234.7 Ų34.728%0.27818%0.182SC..  trans-105.6110.6-170.4-173.818.5000109.5F145 R197 D247 K269 V271F145-D243 HydrophobicContact CE1-CB 4.45Å; R197-D243 IonicContact CZ-OD1 3.88Å; R197-D243 IonicContact NH1-OD1 3.11Å; R197-D243 IonicContact NH2-OD1 2.67Å; R197-D243 PolarHBondContact NH2-OD1 3.02Å; D243-D247 PolarHBondContact N-OD2 3.39Å; D243-K269 HydrophobicContact CB-CD 4.14Å; D243-V271 HydrophobicContact CB-CG2 4.49Å; D243-V271 WeakPolarHBondContact OD2-CG1 3.37Å
244G94.6Very high96.9Very high32 Ų3233.4 Ų33.433%0.3317%0.167SC..SBendtrans91.6166.9-177.900000114.4D246 V248G244-D246 VanDerWaalsContact C-N 3.31Å; G244-D246 PolarHBondContact O-N 3.34Å; G244-V248 WeakPolarHBondContact O-CG2 3.38Å; G244-V248 PolarHBondContact O-N 3.49Å
245E94.2Very high96.7Very high78 Ų7834.6 Ų34.636%0.36418%0.181SC..Hα-helixtrans-63.3-35.6-175.3-66.5-174-168.700112.4R21 R27 V248 R249R21-E245 PolarHBondContact N-OE2 3.31Å; R27-E245 IonicContact NH2-OE1 3.59Å; E245-V248 PolarHBondContact O-N 3.38Å; E245-R249 VanDerWaalsContact O-CB 3.24Å; E245-R249 WeakPolarHBondContact O-CB 3.26Å; E245-R249 PolarHBondContact O-N 3.44Å
246D95.1Very high96.4Very high102 Ų10238.5 Ų38.555%0.54520%0.2SC..Hα-helixtrans-66.7-42.1-177.8-85-41.9000113.4G244 R249 R250G244-D246 VanDerWaalsContact C-N 3.31Å; G244-D246 PolarHBondContact O-N 3.34Å; D246-R249 PolarHBondContact O-N 3.27Å; D246-R249 IonicContact OD1-CZ 3.41Å; D246-R249 IonicContact OD1-NE 3.62Å; D246-R249 PolarHBondContact OD1-NE 3.4Å; D246-R249 IonicContact OD1-NH2 3.45Å; D246-R249 PolarHBondContact OD1-NH2 3.39Å; D246-R250 WeakPolarHBondContact O-CB 3.45Å; D246-R250 WeakPolarHBondContact O-CG 3.47Å; D246-R250 PolarHBondContact O-N 2.82Å
247D97.3Very high96.4Very high32 Ų3235 Ų3517%0.17118%0.181CC..Hα-helixtrans-66.9-42.3177.1-83.61000111.3L242 D243 W251 K269L242-D247 HydrophobicContact CB-CB 4.06Å; L242-D247 HydrophobicContact CD2-CB 4.34Å; D243-D247 PolarHBondContact N-OD2 3.39Å; D247-W251 VanDerWaalsContact O-CB 3.26Å; D247-W251 WeakPolarHBondContact O-CB 3.21Å; D247-W251 PolarHBondContact O-N 3.34Å; D247-K269 IonicContact OD2-NZ 3.61Å; D247-K269 PolarHBondContact OD2-NZ 3.07Å
248V97.9Very high96.2Very high17 Ų1742.2 Ų42.210%0.10321%0.213CC..Hα-helixtrans-59.5-50.2174.51680000110.3L55 V122 T200 L242 G244 E245 W251 L252L55-V248 HydrophobicContact CD2-CG1 4.06Å; V122-V248 HydrophobicContact CG1-CG2 4.5Å; V122-V248 HydrophobicContact CG2-CG1 4.13Å; T200-V248 HydrophobicContact CG2-CG2 4.01Å; L242-V248 HydrophobicContact CB-CG2 3.95Å; G244-V248 WeakPolarHBondContact O-CG2 3.38Å; G244-V248 PolarHBondContact O-N 3.49Å; E245-V248 PolarHBondContact O-N 3.38Å; V248-W251 PolarHBondContact O-N 3.28Å; V248-L252 HydrophobicContact CG1-CD1 3.95Å; V248-L252 WeakPolarHBondContact O-CG 3.38Å; V248-L252 PolarHBondContact O-N 3.33Å
249R96.5Very high96Very high72 Ų7243.3 Ų43.327%0.27222%0.221SC..Hα-helixtrans-59.8-50179-179.6-175.557.372.5-0.5111.6E245 D246 W251 L252 D253E245-R249 VanDerWaalsContact O-CB 3.24Å; E245-R249 WeakPolarHBondContact O-CB 3.26Å; E245-R249 PolarHBondContact O-N 3.44Å; D246-R249 PolarHBondContact O-N 3.27Å; D246-R249 IonicContact OD1-CZ 3.41Å; D246-R249 IonicContact OD1-NE 3.62Å; D246-R249 PolarHBondContact OD1-NE 3.4Å; D246-R249 IonicContact OD1-NH2 3.45Å; D246-R249 PolarHBondContact OD1-NH2 3.39Å; R249-W251 VanDerWaalsContact C-N 3.25Å; R249-W251 PolarHBondContact O-N 3.36Å; R249-L252 PolarHBondContact O-N 3.06Å; R249-D253 VanDerWaalsContact O-CB 3.27Å; R249-D253 WeakPolarHBondContact O-CB 3.21Å; R249-D253 PolarHBondContact O-N 2.8Å
250R96.5Very high95.7Very high107 Ų10748.9 Ų48.940%0.40425%0.25SS..Hα-helixtrans-62.2-35.3178.8-71.7173.268.6155.62.9111.9D246 V257 L265D246-R250 WeakPolarHBondContact O-CB 3.45Å; D246-R250 WeakPolarHBondContact O-CG 3.47Å; D246-R250 PolarHBondContact O-N 2.82Å; R250-V257 HydrophobicContact CB-CG2 4.31Å; R250-V257 WeakPolarHBondContact O-CB 3.42Å; R250-V257 WeakPolarHBondContact O-CG1 3.42Å; R250-V257 WeakPolarHBondContact O-CG2 3.48Å; R250-L265 HydrophobicContact CB-CD1 3.83Å
251W97.9Very high95.6Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-69.4-40.7174.7-175.6-105.1000112R120 C121 A202 G203 I223 L242 D247 V248 R249 A262 L265 L266R120-W251 HydrophobicContact CB-CD2 4.48Å; R120-W251 HydrophobicContact CB-CZ2 4.09Å; R120-W251 HydrophobicContact CG-CH2 4.49Å; R120-W251 HydrophobicContact CG-CZ2 4.05Å; R120-W251 VanDerWaalsContact CZ-O 3.23Å; R120-W251 PolarHBondContact NE-O 3.48Å; R120-W251 PolarHBondContact NH2-O 3.42Å; C121-W251 PolarHBondContact O-NE1 3.03Å; A202-W251 HydrophobicContact CB-CD2 4.24Å; A202-W251 HydrophobicContact CB-CZ2 4.09Å; G203-W251 PolarHBondContact O-NE1 3.15Å; I223-W251 HydrophobicContact CD1-CH2 3.43Å; I223-W251 VanDerWaalsContact CD1-CH2 3.43Å; I223-W251 HydrophobicContact CD1-CZ2 3.33Å; L242-W251 HydrophobicContact CD1-CB 3.56Å; L242-W251 HydrophobicContact CD1-CD2 4.4Å; L242-W251 HydrophobicContact CD1-CG 3.55Å; L242-W251 HydrophobicContact CD2-CB 4.13Å; L242-W251 HydrophobicContact CD2-CG 4.34Å; D247-W251 VanDerWaalsContact O-CB 3.26Å; D247-W251 WeakPolarHBondContact O-CB 3.21Å; D247-W251 PolarHBondContact O-N 3.34Å; V248-W251 PolarHBondContact O-N 3.28Å; R249-W251 VanDerWaalsContact C-N 3.25Å; R249-W251 PolarHBondContact O-N 3.36Å; W251-A262 HydrophobicContact CE3-CB 3.87Å; W251-A262 HydrophobicContact CZ3-CB 3.87Å; W251-A262 WeakPolarHBondContact CZ3-O 3.47Å; W251-L265 HydrophobicContact CB-CD1 4.19Å; W251-L265 HydrophobicContact CE3-CD1 4.41Å; W251-L266 HydrophobicContact CE3-CD2 4.27Å; W251-L266 HydrophobicContact CH2-CD1 3.98Å; W251-L266 HydrophobicContact CH2-CD2 3.83Å; W251-L266 HydrophobicContact CH2-CG 4.22Å; W251-L266 HydrophobicContact CZ2-CD2 4.46Å; W251-L266 HydrophobicContact CZ3-CD1 4.04Å; W251-L266 HydrophobicContact CZ3-CD2 3.7Å; W251-L266 HydrophobicContact CZ3-CG 3.91Å
252L97.6Very high95.4Very high2 Ų251.5 Ų51.51%0.0126%0.264CS..Hα-helixtrans-80.2-27.9-178-67.8-179.6000114.3L55 V122 V248 R249 F254L55-L252 HydrophobicContact CB-CD1 4.15Å; L55-L252 HydrophobicContact CD2-CD1 3.67Å; L55-L252 HydrophobicContact CG-CD1 3.7Å; L55-L252 WeakPolarHBondContact O-CD2 3.21Å; V122-L252 HydrophobicContact CG2-CD1 4.14Å; V122-L252 HydrophobicContact CG2-CD2 3.86Å; V122-L252 HydrophobicContact CG2-CG 3.91Å; V248-L252 HydrophobicContact CG1-CD1 3.95Å; V248-L252 WeakPolarHBondContact O-CG 3.38Å; V248-L252 PolarHBondContact O-N 3.33Å; R249-L252 PolarHBondContact O-N 3.06Å; L252-F254 VanDerWaalsContact C-N 3.34Å; L252-F254 PolarHBondContact O-N 2.94Å
253D95.4Very high95.3Very high3 Ų353 Ų532%0.01627%0.272CS..  trans-76.880.2-178.2-170.9-14.7000111.6R23 R120 R249 G255 E256 V257R23-D253 IonicContact CZ-OD2 3.4Å; R23-D253 IonicContact NH2-OD1 3.67Å; R23-D253 IonicContact NH2-OD2 2.56Å; R23-D253 PolarHBondContact NH2-OD2 2.8Å; R120-D253 PolarHBondContact NH2-O 3.17Å; R249-D253 VanDerWaalsContact O-CB 3.27Å; R249-D253 WeakPolarHBondContact O-CB 3.21Å; R249-D253 PolarHBondContact O-N 2.8Å; D253-G255 PolarHBondContact O-N 3.11Å; D253-G255 PolarHBondContact OD1-N 3.34Å; D253-E256 PolarHBondContact OD1-N 3.4Å; D253-V257 HydrophobicContact CB-CG2 4.34Å; D253-V257 WeakPolarHBondContact O-CA 3.39Å; D253-V257 WeakPolarHBondContact O-CB 3.22Å; D253-V257 PolarHBondContact O-N 3.02Å
254F94.9Very high95.2Very high48 Ų4856.9 Ų56.921%0.21129%0.286CS..THydrogen-bonded Turntrans-74.5-7.9177.273.4-89.3000113.9R59 H60 V67 R120 L252R59-F254 HydrophobicContact CB-CE1 4.17Å; R59-F254 HydrophobicContact CB-CZ 4.05Å; R59-F254 HydrophobicContact CG-CZ 4.2Å; H60-F254 AromaticContact CD2-CE1 3.8Å; H60-F254 AromaticContact CE1-CD1 3.78Å; H60-F254 AromaticContact CE1-CE1 3.54Å; H60-F254 AromaticContact CE1-CZ 3.87Å; H60-F254 AromaticContact NE2-CD1 3.4Å; H60-F254 WeakPolarHBondContact NE2-CD1 3.27Å; H60-F254 AromaticContact NE2-CE1 3.34Å; H60-F254 VanDerWaalsContact NE2-CE1 3.34Å; H60-F254 WeakPolarHBondContact NE2-CE1 3.44Å; V67-F254 HydrophobicContact CG1-CD1 4.01Å; V67-F254 HydrophobicContact CG1-CE1 3.92Å; V67-F254 HydrophobicContact CG1-CG 4.49Å; V67-F254 HydrophobicContact CG1-CZ 4.35Å; R120-F254 VanDerWaalsContact NH2-CA 3.26Å; L252-F254 VanDerWaalsContact C-N 3.34Å; L252-F254 PolarHBondContact O-N 2.94Å
255G92.1Very high95.3Very high34 Ų3456.2 Ų56.235%0.35128%0.275SS..THydrogen-bonded Turntrans-78.3-45.3179.600000111.7D253D253-G255 PolarHBondContact O-N 3.11Å; D253-G255 PolarHBondContact OD1-N 3.34Å
256E92.6Very high95.5Very high124 Ų12453.1 Ų53.158%0.57926%0.261SS*.THydrogen-bonded Turntrans-100-35.8178.1-54.3-60.1160.200112.6R23 D253 K258R23-E256 VanDerWaalsContact CZ-CG 3.49Å; R23-E256 IonicContact CZ-OE1 3.9Å; R23-E256 IonicContact NH1-OE1 3.36Å; R23-E256 PolarHBondContact NH1-OE1 3.01Å; R23-E256 IonicContact NH2-OE1 2.79Å; D253-E256 PolarHBondContact OD1-N 3.4Å; E256-K258 PolarHBondContact O-N 3.19Å
257V95.4Very high95.5Very high20 Ų2054.3 Ų54.312%0.12126%0.263CS..SBendtrans-91.4102.4-176.1-169.50000109.8R120 R250 D253 D261 A262R120-V257 PolarHBondContact NH1-O 3.31Å; R120-V257 PolarHBondContact NH2-O 2.9Å; R250-V257 HydrophobicContact CB-CG2 4.31Å; R250-V257 WeakPolarHBondContact O-CB 3.42Å; R250-V257 WeakPolarHBondContact O-CG1 3.42Å; R250-V257 WeakPolarHBondContact O-CG2 3.48Å; D253-V257 HydrophobicContact CB-CG2 4.34Å; D253-V257 WeakPolarHBondContact O-CA 3.39Å; D253-V257 WeakPolarHBondContact O-CB 3.22Å; D253-V257 PolarHBondContact O-N 3.02Å; V257-D261 HydrophobicContact CG1-CB 4.03Å; V257-A262 HydrophobicContact CG1-CB 4.07Å
258K94.4Very high95.4Very high157 Ų15755.7 Ų55.768%0.68328%0.275SS*.  trans-57.6148.9174-64.3-179.5-177.6175.10110.8E256 L260 D261 A262E256-K258 PolarHBondContact O-N 3.19Å; K258-L260 PolarHBondContact O-N 2.95Å; K258-L260 VanDerWaalsContact O-N 3.14Å; K258-D261 PolarHBondContact O-N 2.87Å; K258-A262 PolarHBondContact O-N 2.58Å
259S93Very high95.3Very high26 Ų2656.8 Ų56.818%0.18228%0.279CS..Hα-helixtrans-58.4-33.7-174.7-460000113.4L115 A262 I263L115-S259 PolarHBondContact O-OG 2.83Å; S259-A262 PolarHBondContact O-N 2.96Å; S259-I263 WeakPolarHBondContact O-CD1 3.49Å; S259-I263 WeakPolarHBondContact O-CG1 3.32Å; S259-I263 PolarHBondContact O-N 3.45Å
260L92.4Very high95.3Very high118 Ų11858.1 Ų58.162%0.61829%0.291SS*.Hα-helixtrans-66.4-36.2175.7-66.2179.2000112.9L105 K258L105-L260 HydrophobicContact CD1-CD2 4.01Å; K258-L260 PolarHBondContact O-N 2.95Å; K258-L260 VanDerWaalsContact O-N 3.14Å
261D95.1Very high95.3Very high57 Ų5755 Ų5531%0.30528%0.284SS..Hα-helixtrans-76.6-36.6176.9-65.3-46.9000111.5V257 K258 I263 K264V257-D261 HydrophobicContact CG1-CB 4.03Å; K258-D261 PolarHBondContact O-N 2.87Å; D261-I263 VanDerWaalsContact C-N 3.32Å; D261-I263 PolarHBondContact O-N 2.56Å; D261-K264 WeakPolarHBondContact O-CB 3.42Å; D261-K264 PolarHBondContact O-N 2.75Å; D261-K264 IonicContact OD1-NZ 2.87Å; D261-K264 PolarHBondContact OD1-NZ 2.84Å
262A95.8Very high95.3Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-61.1-40.8173.700000111.6W251 V257 K258 S259 K264 L265W251-A262 HydrophobicContact CE3-CB 3.87Å; W251-A262 HydrophobicContact CZ3-CB 3.87Å; W251-A262 WeakPolarHBondContact CZ3-O 3.47Å; V257-A262 HydrophobicContact CG1-CB 4.07Å; K258-A262 PolarHBondContact O-N 2.58Å; S259-A262 PolarHBondContact O-N 2.96Å; A262-K264 PolarHBondContact O-N 3.09Å; A262-L265 VanDerWaalsContact O-CB 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.25Å; A262-L265 WeakPolarHBondContact O-CG 3.49Å; A262-L265 PolarHBondContact O-N 3.24Å; A262-L265 VanDerWaalsContact O-N 3.07Å
263I95.3Very high95.3Very high33 Ų3357.8 Ų57.817%0.16930%0.301CS..Hα-helixtrans-62.5-27.4179.1-73.6164000112.5I104 L105 L115 S259 D261 L265 L266I104-I263 HydrophobicContact CG2-CD1 4.02Å; I104-I263 HydrophobicContact CG2-CG1 4.39Å; L105-I263 HydrophobicContact CD1-CD1 3.99Å; L105-I263 HydrophobicContact CD2-CD1 3.51Å; L105-I263 HydrophobicContact CG-CD1 3.74Å; L115-I263 HydrophobicContact CD1-CD1 4.28Å; S259-I263 WeakPolarHBondContact O-CD1 3.49Å; S259-I263 WeakPolarHBondContact O-CG1 3.32Å; S259-I263 PolarHBondContact O-N 3.45Å; D261-I263 VanDerWaalsContact C-N 3.32Å; D261-I263 PolarHBondContact O-N 2.56Å; I263-L265 PolarHBondContact O-N 3.02Å; I263-L266 HydrophobicContact CB-CD1 4.28Å; I263-L266 HydrophobicContact CG1-CD1 4.1Å; I263-L266 HydrophobicContact CG2-CD1 4.25Å; I263-L266 VanDerWaalsContact O-CB 3.26Å; I263-L266 WeakPolarHBondContact O-CB 3.35Å; I263-L266 WeakPolarHBondContact O-CG 3.44Å; I263-L266 PolarHBondContact O-N 2.95Å
264K95.9Very high95.4Very high132 Ų13260.8 Ų60.857%0.57431%0.314SS*.THydrogen-bonded Turntrans-62.6-21.7176.1-63.3170.4-175.1165.60112.8D261 A262 L266 Q267D261-K264 WeakPolarHBondContact O-CB 3.42Å; D261-K264 PolarHBondContact O-N 2.75Å; D261-K264 IonicContact OD1-NZ 2.87Å; D261-K264 PolarHBondContact OD1-NZ 2.84Å; A262-K264 PolarHBondContact O-N 3.09Å; K264-L266 PolarHBondContact O-N 3.44Å; K264-Q267 WeakPolarHBondContact O-CG 3.26Å; K264-Q267 PolarHBondContact O-NE2 3.16Å
265L96.9Very high95.5Very high19 Ų1959.9 Ų59.910%0.09931%0.31CS..THydrogen-bonded Turntrans-73-16.8174.8-56.2172.8000112.6L242 R250 W251 A262 I263 Q267L242-L265 HydrophobicContact CD2-CB 4.18Å; R250-L265 HydrophobicContact CB-CD1 3.83Å; W251-L265 HydrophobicContact CB-CD1 4.19Å; W251-L265 HydrophobicContact CE3-CD1 4.41Å; A262-L265 VanDerWaalsContact O-CB 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.25Å; A262-L265 WeakPolarHBondContact O-CG 3.49Å; A262-L265 PolarHBondContact O-N 3.24Å; A262-L265 VanDerWaalsContact O-N 3.07Å; I263-L265 PolarHBondContact O-N 3.02Å; L265-Q267 VanDerWaalsContact C-N 3.26Å; L265-Q267 PolarHBondContact O-N 2.95Å
266L97Very high95.8Very high13 Ų1359.4 Ų59.47%0.06830%0.301CS..  trans-83.167-174.5-54.5174.5000111.4A202 I223 V225 A240 W251 I263 K264A202-L266 HydrophobicContact CB-CD2 3.63Å; I223-L266 HydrophobicContact CB-CD2 4.45Å; I223-L266 HydrophobicContact CD1-CD1 4.03Å; I223-L266 HydrophobicContact CD1-CD2 3.83Å; I223-L266 HydrophobicContact CG2-CD1 4.02Å; I223-L266 HydrophobicContact CG2-CD2 4.04Å; I223-L266 HydrophobicContact CG2-CG 4.48Å; V225-L266 HydrophobicContact CG1-CB 4.42Å; V225-L266 WeakPolarHBondContact CG1-O 3.42Å; A240-L266 HydrophobicContact CB-CB 4.47Å; A240-L266 HydrophobicContact CB-CD2 3.74Å; W251-L266 HydrophobicContact CE3-CD2 4.27Å; W251-L266 HydrophobicContact CH2-CD1 3.98Å; W251-L266 HydrophobicContact CH2-CD2 3.83Å; W251-L266 HydrophobicContact CH2-CG 4.22Å; W251-L266 HydrophobicContact CZ2-CD2 4.46Å; W251-L266 HydrophobicContact CZ3-CD1 4.04Å; W251-L266 HydrophobicContact CZ3-CD2 3.7Å; W251-L266 HydrophobicContact CZ3-CG 3.91Å; I263-L266 HydrophobicContact CB-CD1 4.28Å; I263-L266 HydrophobicContact CG1-CD1 4.1Å; I263-L266 HydrophobicContact CG2-CD1 4.25Å; I263-L266 VanDerWaalsContact O-CB 3.26Å; I263-L266 WeakPolarHBondContact O-CB 3.35Å; I263-L266 WeakPolarHBondContact O-CG 3.44Å; I263-L266 PolarHBondContact O-N 2.95Å; K264-L266 PolarHBondContact O-N 3.44Å
267Q95.2Very high96.1Very high127 Ų12753.6 Ų53.659%0.59327%0.274SS*.  trans-119.5156.9-179.6-63.1-179.2-1200111.1K264 L265K264-Q267 WeakPolarHBondContact O-CG 3.26Å; K264-Q267 PolarHBondContact O-NE2 3.16Å; L265-Q267 VanDerWaalsContact C-N 3.26Å; L265-Q267 PolarHBondContact O-N 2.95Å
268S95.3Very high96.2Very high61 Ų6154.2 Ų54.243%0.42728%0.279SS..  trans-71.4131.9171.5600000109.7N226N226-S268 VanDerWaalsContact O-CB 3.23Å; N226-S268 WeakPolarHBondContact O-CB 3.15Å
269K95.4Very high96.3Very high39 Ų3950 Ų5017%0.1727%0.27CS..  trans-125.6134.1-180-65.7179.1-178167.80110V241 D243 D247 V271V241-K269 PolarHBondContact O-NZ 3.4Å; D243-K269 HydrophobicContact CB-CD 4.14Å; D247-K269 IonicContact OD2-NZ 3.61Å; D247-K269 PolarHBondContact OD2-NZ 3.07Å; K269-V271 HydrophobicContact CB-CG1 4.09Å; K269-V271 HydrophobicContact CB-CG2 3.75Å; K269-V271 PolarHBondContact O-N 3.36Å; K269-V271 VanDerWaalsContact O-N 3.13Å
270D96.1Very high96.5Very high101 Ų10151.8 Ų51.854%0.5427%0.274SS..SBendtrans-89.163176.7-160.2-4.8000110.6N230N230-D270 WeakPolarHBondContact CB-OD1 3.48Å; N230-D270 PolarHBondContact ND2-OD1 3.43Å; N230-D270 PolarHBondContact OD1-OD1 2.78Å; N230-D270 VanDerWaalsContact OD1-OD1 3.1Å
271V96.6Very high96.7Very high41 Ų4146.2 Ų46.225%0.24825%0.245CC..  trans-124.43.1-173-61.20000112.5F145 P146 V241 D243 K269F145-V271 HydrophobicContact CD1-CG2 4.37Å; F145-V271 HydrophobicContact CE1-CG2 3.83Å; P146-V271 WeakPolarHBondContact CD-O 3.35Å; V241-V271 HydrophobicContact CG1-CG2 4.48Å; D243-V271 HydrophobicContact CB-CG2 4.49Å; D243-V271 WeakPolarHBondContact OD2-CG1 3.37Å; K269-V271 HydrophobicContact CB-CG1 4.09Å; K269-V271 HydrophobicContact CB-CG2 3.75Å; K269-V271 PolarHBondContact O-N 3.36Å; K269-V271 VanDerWaalsContact O-N 3.13Å
272L97.8Very high96.8Very high7 Ų746.8 Ų46.84%0.03725%0.248CC..  trans-106.2147.7-177.5-56.7-174000110.5F128 I143 Y144 F145 L199 N230 L231 M238 V241F128-L272 HydrophobicContact CE1-CD1 3.9Å; I143-L272 HydrophobicContact CG2-CB 3.98Å; I143-L272 HydrophobicContact CG2-CD1 3.84Å; Y144-L272 WeakPolarHBondContact O-CA 3.45Å; F145-L272 HydrophobicContact CD1-CD2 3.58Å; F145-L272 HydrophobicContact CE1-CD2 3.83Å; F145-L272 HydrophobicContact CG-CD2 4.21Å; L199-L272 HydrophobicContact CD1-CD2 3.65Å; N230-L272 PolarHBondContact ND2-O 2.91Å; L231-L272 HydrophobicContact CD1-CB 4.36Å; L231-L272 HydrophobicContact CD1-CD1 4.04Å; M238-L272 HydrophobicContact CE-CD1 3.49Å; M238-L272 VanDerWaalsContact CE-CD1 3.49Å; M238-L272 HydrophobicContact CE-CG 4.25Å; V241-L272 HydrophobicContact CG1-CD2 4.4Å; V241-L272 HydrophobicContact CG2-CD1 4.05Å; V241-L272 HydrophobicContact CG2-CD2 4.43Å
273T97.9Very high96.9Very high54 Ų5450.1 Ų50.133%0.33127%0.266SS..EExtended strand (participates in β ladder)trans-115.9169168.4-170.10000109.7I143 Y144 P146I143-T273 WeakPolarHBondContact CA-O 3.4Å; Y144-T273 HydrophobicContact CD2-CG2 4.09Å; Y144-T273 HydrophobicContact CE1-CG2 4.29Å; Y144-T273 HydrophobicContact CE2-CG2 3.68Å; Y144-T273 PolarHBondContact N-O 2.97Å; Y144-T273 PolarHBondContact O-N 3.06Å; Y144-T273 VanDerWaalsContact O-O 3.12Å; P146-T273 HydrophobicContact CB-CG2 4.49Å; P146-T273 HydrophobicContact CG-CG2 4.16Å
274F98.1Very high96.9Very high65 Ų6551 Ų5129%0.28528%0.276SS..EExtended strand (participates in β ladder)trans-156160.1-177.959.8-95.4000112.6F141 F142 I143 N230 L231 I234F141-F274 AromaticContact CD1-CD2 3.67Å; F141-F274 HydrophobicContact CD1-CD2 3.67Å; F141-F274 HydrophobicContact CD1-CE2 4.24Å; F141-F274 HydrophobicContact CE1-CD2 4.03Å; F141-F274 HydrophobicContact CE1-CE2 4.18Å; F142-F274 WeakPolarHBondContact O-CA 3.5Å; F142-F274 WeakPolarHBondContact O-CB 3.36Å; I143-F274 HydrophobicContact CB-CB 4.26Å; I143-F274 HydrophobicContact CG1-CB 3.73Å; I143-F274 HydrophobicContact CG2-CB 4.44Å; N230-F274 WeakPolarHBondContact O-CE1 3.36Å; L231-F274 HydrophobicContact CD2-CD1 3.37Å; L231-F274 HydrophobicContact CD2-CE1 3.75Å; L231-F274 HydrophobicContact CD2-CG 4.22Å; I234-F274 HydrophobicContact CD1-CD1 4.07Å; I234-F274 HydrophobicContact CD1-CD2 3.69Å; I234-F274 HydrophobicContact CD1-CE1 4.13Å; I234-F274 HydrophobicContact CD1-CE2 3.77Å; I234-F274 HydrophobicContact CD1-CG 3.83Å; I234-F274 HydrophobicContact CD1-CZ 3.98Å
275H98.1Very high97Very high29 Ų2955.1 Ų55.113%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-142.3151.5167.155.5-105.8000110.5F141 F142 Y144 L292 P294F141-H275 WeakPolarHBondContact CA-O 3.38Å; F142-H275 AromaticContact CD1-CE1 3.86Å; F142-H275 AromaticContact CD1-NE2 3.92Å; F142-H275 PolarHBondContact N-O 3.36Å; F142-H275 PolarHBondContact O-N 3.45Å; F142-H275 VanDerWaalsContact O-N 3.1Å; Y144-H275 AromaticContact CE1-CE1 3.39Å; Y144-H275 WeakPolarHBondContact CE1-CE1 3.32Å; Y144-H275 AromaticContact CE1-ND1 3.32Å; Y144-H275 VanDerWaalsContact CE1-ND1 3.32Å; Y144-H275 WeakPolarHBondContact CE1-ND1 3.39Å; Y144-H275 AromaticContact CZ-CE1 3.75Å; Y144-H275 AromaticContact CZ-ND1 3.56Å; Y144-H275 PolarHBondContact OH-CE1 3.07Å; Y144-H275 PolarHBondContact OH-ND1 3.17Å; H275-L292 PolarHBondContact NE2-O 2.88Å; H275-P294 HydrophobicContact CB-CB 4.36Å
276P98.1Very high97Very high25 Ų2556 Ų5616%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-67.2144173.728.8-34.6000110.2Q139 F141 P294 V295 L297Q139-P276 HydrophobicContact CG-CB 4.4Å; F141-P276 HydrophobicContact CD1-CB 4.07Å; F141-P276 HydrophobicContact CE1-CB 3.75Å; F141-P276 HydrophobicContact CE1-CG 4.28Å; F141-P276 HydrophobicContact CZ-CB 4.18Å; P276-P294 WeakPolarHBondContact O-CA 3.42Å; P276-V295 HydrophobicContact CB-CG2 4Å; P276-V295 HydrophobicContact CG-CG2 4.33Å; P276-V295 VanDerWaalsContact CG-O 3.32Å; P276-V295 WeakPolarHBondContact CG-O 3.31Å; P276-V295 PolarHBondContact O-N 3.02Å; P276-L297 HydrophobicContact CB-CD1 3.89Å; P276-L297 HydrophobicContact CB-CD2 3.99Å; P276-L297 HydrophobicContact CB-CG 3.96Å; P276-L297 HydrophobicContact CG-CD1 3.95Å; P276-L297 HydrophobicContact CG-CD2 4.35Å; P276-L297 HydrophobicContact CG-CG 3.85Å
277V98.3Very high97.1Very high1 Ų159.5 Ų59.51%0.00631%0.311CS..BIsolated β-bridgetrans-122.1172.6176.2-61.90000111.2Y129 Q139 P140 F142 V281 V295Y129-V277 HydrophobicContact CD1-CG2 4.24Å; Y129-V277 HydrophobicContact CE1-CG2 4.35Å; Q139-V277 PolarHBondContact NE2-O 3.24Å; P140-V277 HydrophobicContact CB-CG2 3.74Å; P140-V277 HydrophobicContact CG-CG2 3.94Å; P140-V277 WeakPolarHBondContact CG-O 3.01Å; P140-V277 PolarHBondContact O-N 3.24Å; F142-V277 HydrophobicContact CB-CG1 3.71Å; V277-V281 HydrophobicContact CG2-CG1 4.05Å; V277-V295 WeakPolarHBondContact O-CG2 3.32Å
278S96.9Very high97.2Very high33 Ų3354.8 Ų54.823%0.23129%0.292CS..  trans-67.8149.7177.4177.60000112.1P140 F280 V281P140-S278 WeakPolarHBondContact CG-O 3.45Å; S278-F280 PolarHBondContact O-N 2.72Å; S278-F280 WeakPolarHBondContact OG-CB 3.4Å; S278-F280 PolarHBondContact OG-N 3.06Å; S278-V281 WeakPolarHBondContact O-CG1 3.45Å; S278-V281 PolarHBondContact O-N 3.36Å
279S96.4Very high97.3Very high70 Ų7054.9 Ų54.949%0.4929%0.291SS..G310 helixtrans-61.6-8.1168.960.30000113.6V281 N282S279-V281 PolarHBondContact O-N 3.37Å; S279-N282 WeakPolarHBondContact O-CB 3.32Å; S279-N282 PolarHBondContact O-N 2.86Å; S279-N282 PolarHBondContact O-ND2 3.06Å
280F97.4Very high97.4Very high63 Ų6358.4 Ų58.428%0.27631%0.308SS..G310 helixtrans-50.2-36.5170.2-174.5-105.8000112.6S278 N282 N286 S288 E290S278-F280 PolarHBondContact O-N 2.72Å; S278-F280 WeakPolarHBondContact OG-CB 3.4Å; S278-F280 PolarHBondContact OG-N 3.06Å; F280-N282 PolarHBondContact O-N 3.46Å; F280-N286 HydrophobicContact CD1-CB 4.02Å; F280-N286 VanDerWaalsContact CD2-ND2 3.34Å; F280-N286 WeakPolarHBondContact CD2-ND2 3.39Å; F280-N286 HydrophobicContact CE1-CB 3.58Å; F280-N286 HydrophobicContact CE2-CB 4.13Å; F280-N286 VanDerWaalsContact CE2-ND2 3.34Å; F280-N286 WeakPolarHBondContact CE2-ND2 3.4Å; F280-N286 HydrophobicContact CG-CB 4.47Å; F280-N286 HydrophobicContact CZ-CB 3.64Å; F280-N286 PolarHBondContact O-ND2 3.35Å; F280-S288 VanDerWaalsContact CE1-OG 3.24Å; F280-S288 WeakPolarHBondContact CE1-OG 3.05Å; F280-E290 HydrophobicContact CD1-CB 3.97Å; F280-E290 HydrophobicContact CE1-CB 4.11Å
281V97.8Very high97.5Very high0 Ų053.6 Ų53.60%028%0.283CS..G310 helixtrans-66.5-19.1178.773.40000113.4R4 N45 Y129 W131 P140 V277 S278 S279 N283 C291R4-V281 PolarHBondContact NH1-O 3.11Å; N45-V281 PolarHBondContact ND2-O 2.78Å; Y129-V281 HydrophobicContact CD1-CG1 4.47Å; Y129-V281 HydrophobicContact CD1-CG2 3.92Å; Y129-V281 HydrophobicContact CD2-CG2 4.09Å; Y129-V281 HydrophobicContact CE1-CB 4.48Å; Y129-V281 HydrophobicContact CE1-CG2 3.72Å; Y129-V281 HydrophobicContact CE2-CG2 3.88Å; Y129-V281 HydrophobicContact CG-CG2 4.08Å; W131-V281 HydrophobicContact CZ2-CG1 4.09Å; P140-V281 HydrophobicContact CB-CG1 3.67Å; P140-V281 HydrophobicContact CG-CG1 3.96Å; V277-V281 HydrophobicContact CG2-CG1 4.05Å; S278-V281 WeakPolarHBondContact O-CG1 3.45Å; S278-V281 PolarHBondContact O-N 3.36Å; S279-V281 PolarHBondContact O-N 3.37Å; V281-N283 VanDerWaalsContact C-N 3.27Å; V281-N283 PolarHBondContact O-N 2.86Å; V281-C291 HydrophobicContact CB-CB 4.29Å; V281-C291 HydrophobicContact CG2-CB 4.12Å
282N96.8Very high97.5Very high69 Ų6953 Ų5337%0.36928%0.278SS..G310 helixtrans-56.7-41.7-175-68-7.7000112R4 W131 S279 F280 S284R4-N282 PolarHBondContact NH2-O 3.09Å; R4-N282 VanDerWaalsContact NH2-O 3.13Å; W131-N282 PolarHBondContact NE1-OD1 3.29Å; S279-N282 WeakPolarHBondContact O-CB 3.32Å; S279-N282 PolarHBondContact O-N 2.86Å; S279-N282 PolarHBondContact O-ND2 3.06Å; F280-N282 PolarHBondContact O-N 3.46Å; N282-S284 PolarHBondContact O-N 3.14Å
283N97.3Very high97.4Very high70 Ų7058 Ų5837%0.37430%0.301SS..SBendtrans-79.3113.8173.9-178.51.8000109.9N45 V281 R285 N286N45-N283 PolarHBondContact ND2-O 2.82Å; N45-N283 VanDerWaalsContact ND2-O 3.13Å; V281-N283 VanDerWaalsContact C-N 3.27Å; V281-N283 PolarHBondContact O-N 2.86Å; N283-R285 PolarHBondContact O-N 3.4Å; N283-R285 VanDerWaalsContact O-N 3.09Å; N283-R285 WeakPolarHBondContact OD1-CB 3.16Å; N283-R285 PolarHBondContact OD1-N 2.95Å; N283-R285 VanDerWaalsContact OD1-N 3.13Å; N283-N286 VanDerWaalsContact O-CB 3.29Å; N283-N286 WeakPolarHBondContact O-CB 3.42Å; N283-N286 PolarHBondContact O-N 3.31Å
284S95.9Very high97.4Very high53 Ų5358.8 Ų58.837%0.37131%0.307SS..THydrogen-bonded Turntrans-63.2-16.1-178.555.50000114.4N282 N286N282-S284 PolarHBondContact O-N 3.14Å; S284-N286 VanDerWaalsContact C-N 3.26Å
285R96.8Very high97.3Very high217 Ų21758.1 Ų58.182%0.81931%0.308SS*.THydrogen-bonded Turntrans-75.9-17.2174.5-60.4-174-179.9103.4-3.2112.8N283 N287N283-R285 PolarHBondContact O-N 3.4Å; N283-R285 VanDerWaalsContact O-N 3.09Å; N283-R285 WeakPolarHBondContact OD1-CB 3.16Å; N283-R285 PolarHBondContact OD1-N 2.95Å; N283-R285 VanDerWaalsContact OD1-N 3.13Å; R285-N287 PolarHBondContact O-N 3.37Å
286N98Very high97.1Very high39 Ų3960.5 Ų60.521%0.20932%0.322CS..  trans-76.9110.5179.3-70-3.6000109.3N45 F280 N283 S284 C291N45-N286 WeakPolarHBondContact CB-O 3.47Å; N45-N286 PolarHBondContact ND2-O 2.8Å; F280-N286 HydrophobicContact CD1-CB 4.02Å; F280-N286 VanDerWaalsContact CD2-ND2 3.34Å; F280-N286 WeakPolarHBondContact CD2-ND2 3.39Å; F280-N286 HydrophobicContact CE1-CB 3.58Å; F280-N286 HydrophobicContact CE2-CB 4.13Å; F280-N286 VanDerWaalsContact CE2-ND2 3.34Å; F280-N286 WeakPolarHBondContact CE2-ND2 3.4Å; F280-N286 HydrophobicContact CG-CB 4.47Å; F280-N286 HydrophobicContact CZ-CB 3.64Å; F280-N286 PolarHBondContact O-ND2 3.35Å; N283-N286 VanDerWaalsContact O-CB 3.29Å; N283-N286 WeakPolarHBondContact O-CB 3.42Å; N283-N286 PolarHBondContact O-N 3.31Å; S284-N286 VanDerWaalsContact C-N 3.26Å; N286-C291 PolarHBondContact O-SG 3.28Å; N286-C291 VanDerWaalsContact O-SG 3.35Å
287N97.9Very high96.5Very high86 Ų8663.6 Ų63.646%0.4634%0.336SS..  trans-126.878.9-176.4-176.233.8000110.7S43 Y44 R285S43-N287 VanDerWaalsContact CA-OD1 3.23Å; S43-N287 WeakPolarHBondContact CA-OD1 3.38Å; S43-N287 VanDerWaalsContact CB-OD1 3.29Å; S43-N287 WeakPolarHBondContact CB-OD1 3.43Å; S43-N287 PolarHBondContact OG-OD1 3.39Å; Y44-N287 PolarHBondContact N-OD1 2.92Å; R285-N287 PolarHBondContact O-N 3.37Å
288S98.1Very high95.7Very high27 Ų2768.1 Ų68.119%0.18937%0.368CS..SBendtrans-145165.2177.1790000111.2Y44 F280 E290 C291Y44-S288 VanDerWaalsContact CB-O 3.27Å; Y44-S288 WeakPolarHBondContact CB-O 3.42Å; Y44-S288 VanDerWaalsContact CD2-C 3.44Å; Y44-S288 VanDerWaalsContact CG-C 3.42Å; F280-S288 VanDerWaalsContact CE1-OG 3.24Å; F280-S288 WeakPolarHBondContact CE1-OG 3.05Å; S288-E290 PolarHBondContact O-N 2.65Å; S288-E290 WeakPolarHBondContact OG-CB 3.23Å; S288-E290 PolarHBondContact OG-N 2.93Å; S288-C291 WeakPolarHBondContact O-CB 3.43Å; S288-C291 PolarHBondContact O-N 3.1Å; S288-C291 VanDerWaalsContact O-N 3.1Å
289P98Very high94.4Very high64 Ų6475.9 Ų75.942%0.41639%0.393SS..G310 helixtrans-52.7-27.2174.8-26.133.2000114.3Y44 C291 L292 Q293Y44-P289 HydrophobicContact CE1-CB 4.08Å; Y44-P289 HydrophobicContact CE1-CG 4.06Å; Y44-P289 HydrophobicContact CE2-CG 4.13Å; P289-C291 PolarHBondContact O-N 2.96Å; P289-C291 VanDerWaalsContact O-N 3.15Å; P289-L292 PolarHBondContact O-N 3.49Å; P289-Q293 PolarHBondContact O-N 2.99Å
290E97.1Very high92.4Very high113 Ų11382.2 Ų82.253%0.52841%0.411SS..G310 helixtrans-59.4-24.3179.1-61178.2-174.600113.4F280 S288 L292 Q293F280-E290 HydrophobicContact CD1-CB 3.97Å; F280-E290 HydrophobicContact CE1-CB 4.11Å; S288-E290 PolarHBondContact O-N 2.65Å; S288-E290 WeakPolarHBondContact OG-CB 3.23Å; S288-E290 PolarHBondContact OG-N 2.93Å; E290-L292 PolarHBondContact O-N 2.93Å; E290-Q293 PolarHBondContact O-N 2.98Å
291C98.1Very high90.4Very high0 Ų087.6 Ų87.60%044%0.435CS..G310 helixtrans-62.1-30.1174.6-68.30000112.5Y129 V281 N286 S288 P289Y129-C291 WeakPolarHBondContact CE1-O 3.49Å; Y129-C291 WeakPolarHBondContact OH-CB 3.47Å; V281-C291 HydrophobicContact CB-CB 4.29Å; V281-C291 HydrophobicContact CG2-CB 4.12Å; N286-C291 PolarHBondContact O-SG 3.28Å; N286-C291 VanDerWaalsContact O-SG 3.35Å; S288-C291 WeakPolarHBondContact O-CB 3.43Å; S288-C291 PolarHBondContact O-N 3.1Å; S288-C291 VanDerWaalsContact O-N 3.1Å; P289-C291 PolarHBondContact O-N 2.96Å; P289-C291 VanDerWaalsContact O-N 3.15Å
292L97.1Very high87.9Confident29 Ų2995.8 Ų95.815%0.15247%0.473CS..THydrogen-bonded Turntrans-100.1-9.7-177.2-65178.7000113.3A6 T8 Y44 Y129 F142 H275 P289 E290A6-L292 HydrophobicContact CB-CD1 4.33Å; A6-L292 HydrophobicContact CB-CD2 3.76Å; A6-L292 HydrophobicContact CB-CG 4.44Å; T8-L292 HydrophobicContact CG2-CD1 4.33Å; Y44-L292 HydrophobicContact CD1-CD1 3.51Å; Y44-L292 HydrophobicContact CD1-CG 3.98Å; Y44-L292 HydrophobicContact CE1-CD1 3.96Å; Y129-L292 HydrophobicContact CE1-CD2 4.04Å; Y129-L292 WeakPolarHBondContact OH-CD2 3.38Å; F142-L292 HydrophobicContact CD1-CD2 3.8Å; F142-L292 HydrophobicContact CD2-CD2 3.46Å; F142-L292 VanDerWaalsContact CD2-CD2 3.46Å; F142-L292 HydrophobicContact CE1-CD2 3.69Å; F142-L292 HydrophobicContact CE2-CD2 3.34Å; F142-L292 HydrophobicContact CG-CD2 3.69Å; F142-L292 HydrophobicContact CZ-CD2 3.46Å; F142-L292 VanDerWaalsContact CZ-CD2 3.46Å; H275-L292 PolarHBondContact NE2-O 2.88Å; P289-L292 PolarHBondContact O-N 3.49Å; E290-L292 PolarHBondContact O-N 2.93Å
293Q96.3Very high85.7Confident111 Ų111100 Ų10052%0.51949%0.494SS..  trans-69.9129.7-174.2-69.2-57.6-47.600110.7P289 E290P289-Q293 PolarHBondContact O-N 2.99Å; E290-Q293 PolarHBondContact O-N 2.98Å
294P97.4Very high83.5Confident71 Ų71105.5 Ų105.546%0.46151%0.514SS..BIsolated β-bridgetrans-58.6141.5173.6-21.131000111.2H275 P276H275-P294 HydrophobicContact CB-CB 4.36Å; P276-P294 WeakPolarHBondContact O-CA 3.42Å
295V95.9Very high81.1Confident50 Ų50105.4 Ų105.430%0.30352%0.517SS..  trans-114.7143.8171.5-60.50000111P276 V277 L297P276-V295 HydrophobicContact CB-CG2 4Å; P276-V295 HydrophobicContact CG-CG2 4.33Å; P276-V295 VanDerWaalsContact CG-O 3.32Å; P276-V295 WeakPolarHBondContact CG-O 3.31Å; P276-V295 PolarHBondContact O-N 3.02Å; V277-V295 WeakPolarHBondContact O-CG2 3.32Å; V295-L297 HydrophobicContact CG2-CD2 4.06Å; V295-L297 PolarHBondContact O-N 3.14Å
296D92.7Very high79.3Confident80 Ų8099 Ų9943%0.42850%0.502SS..  trans-85112.5172.4-176-3.5000109.6S298 R299D296-S298 PolarHBondContact O-N 3.14Å; D296-S298 VanDerWaalsContact OD1-CB 3.31Å; D296-S298 WeakPolarHBondContact OD1-CB 3.39Å; D296-S298 PolarHBondContact OD1-N 3.38Å; D296-S298 PolarHBondContact OD1-OG 2.9Å; D296-S298 PolarHBondContact OD2-OG 2.91Å; D296-R299 HydrophobicContact CB-CG 4.29Å; D296-R299 WeakPolarHBondContact OD2-CG 3.48Å; D296-R299 IonicContact OD2-NE 3.06Å; D296-R299 PolarHBondContact OD2-NE 3.43Å; D296-R299 VanDerWaalsContact OD2-NE 3.11Å
297L87Confident77.2Confident89 Ų89101 Ų10147%0.46652%0.524SS..THydrogen-bonded Turntrans-73.7-15179.2-60.5-179.4000113Q139 P276 V295Q139-L297 HydrophobicContact CG-CD1 4.4Å; Q139-L297 HydrophobicContact CG-CD2 4.33Å; Q139-L297 VanDerWaalsContact OE1-CD2 3.27Å; P276-L297 HydrophobicContact CB-CD1 3.89Å; P276-L297 HydrophobicContact CB-CD2 3.99Å; P276-L297 HydrophobicContact CB-CG 3.96Å; P276-L297 HydrophobicContact CG-CD1 3.95Å; P276-L297 HydrophobicContact CG-CD2 4.35Å; P276-L297 HydrophobicContact CG-CG 3.85Å; V295-L297 HydrophobicContact CG2-CD2 4.06Å; V295-L297 PolarHBondContact O-N 3.14Å
298S81Confident75.3Confident97 Ų97100.9 Ų100.968%0.67853%0.53SS*.THydrogen-bonded Turntrans-79.3-24.2178.674.40000112.6D296 K300D296-S298 PolarHBondContact O-N 3.14Å; D296-S298 VanDerWaalsContact OD1-CB 3.31Å; D296-S298 WeakPolarHBondContact OD1-CB 3.39Å; D296-S298 PolarHBondContact OD1-N 3.38Å; D296-S298 PolarHBondContact OD1-OG 2.9Å; D296-S298 PolarHBondContact OD2-OG 2.91Å; S298-K300 PolarHBondContact O-N 3.26Å; S298-K300 VanDerWaalsContact O-N 3.13Å
299R69.3Low73.5Confident196 Ų196101.7 Ų101.774%0.7454%0.535SS*.SBendtrans-78.995.4174.6-69.7179-159.4-153.80.4109.8D296 K301D296-R299 HydrophobicContact CB-CG 4.29Å; D296-R299 WeakPolarHBondContact OD2-CG 3.48Å; D296-R299 IonicContact OD2-NE 3.06Å; D296-R299 PolarHBondContact OD2-NE 3.43Å; D296-R299 VanDerWaalsContact OD2-NE 3.11Å; R299-K301 PolarHBondContact O-N 2.98Å; R299-K301 VanDerWaalsContact O-N 3.08Å
300K54.4Low71.8Confident203 Ų203105.2 Ų105.288%0.88354%0.544SS*.  trans-54.7118.6165.8-80.2-179.5178.4175.80108.8S298 E302S298-K300 PolarHBondContact O-N 3.26Å; S298-K300 VanDerWaalsContact O-N 3.13Å; K300-E302 PolarHBondContact O-N 3.41Å; K300-E302 VanDerWaalsContact O-N 3.17Å
301K55.1Low70.1Confident176 Ų176107 Ų10777%0.76555%0.554SS**  trans-61.4115.8176.1-131.4176.1-174.3175.70108.5R299 I303R299-K301 PolarHBondContact O-N 2.98Å; R299-K301 VanDerWaalsContact O-N 3.08Å; K301-I303 PolarHBondContact O-N 2.9Å; K301-I303 VanDerWaalsContact O-N 3.14Å
302E46.5Very low68.2Low172 Ų172113 Ų11380%0.80458%0.584SS**  trans-60.8116.6161-78.9-172168.400107.7K300 K304K300-E302 PolarHBondContact O-N 3.41Å; K300-E302 VanDerWaalsContact O-N 3.17Å; E302-K304 VanDerWaalsContact C-N 3.35Å; E302-K304 PolarHBondContact O-N 2.85Å
303I50.1Low66.6Low158 Ų158117.1 Ų117.181%0.8160%0.604SS**  trans-71.695.4176.3-56.9171.9000106.7K301 A305K301-I303 PolarHBondContact O-N 2.9Å; K301-I303 VanDerWaalsContact O-N 3.14Å; I303-A305 PolarHBondContact O-N 3.19Å
304K50.8Low64.8Low184 Ų184115.7 Ų115.780%0.861%0.606SS**  trans-65.7105.8163.3-77-173.9178.7179.60107.4E302 T306E302-K304 VanDerWaalsContact C-N 3.35Å; E302-K304 PolarHBondContact O-N 2.85Å; K304-T306 PolarHBondContact O-N 2.96Å; K304-T306 VanDerWaalsContact O-N 3.11Å
305A45.4Very low62.9Low52 Ų52121.6 Ų121.643%0.4362%0.619SS.*  trans-53.4116.8177.700000110.3I303 K310I303-A305 PolarHBondContact O-N 3.19Å; A305-K310 HydrophobicContact CB-CG 4.28Å
306T58.8Low61.3Low81 Ų81125.1 Ų125.150%0.49764%0.636SS.*  trans-70.1154.3172.851.90000110.1K304 S308 S309 K310K304-T306 PolarHBondContact O-N 2.96Å; K304-T306 VanDerWaalsContact O-N 3.11Å; T306-S308 PolarHBondContact O-N 3.17Å; T306-S308 VanDerWaalsContact O-N 3.16Å; T306-S308 PolarHBondContact OG1-OG 3.17Å; T306-S309 WeakPolarHBondContact O-CB 3.33Å; T306-S309 PolarHBondContact O-N 2.77Å; T306-S309 WeakPolarHBondContact OG1-CB 3.02Å; T306-S309 PolarHBondContact OG1-N 3.23Å; T306-K310 PolarHBondContact O-N 2.67Å; T306-K310 VanDerWaalsContact O-N 3.09Å
307A54.1Low59.7Low82 Ų82126.3 Ų126.368%0.67865%0.651SS**Hα-helixtrans-55.9-32.9177.200000112.4K310 M311A307-K310 PolarHBondContact O-N 3.21Å; A307-M311 PolarHBondContact O-N 3.11Å
308S58.4Low57.8Low83 Ų83125.6 Ų125.658%0.5865%0.653SS**Hα-helixtrans-69.1-35.6174.353.50000113.6T306 M311 M312T306-S308 PolarHBondContact O-N 3.17Å; T306-S308 VanDerWaalsContact O-N 3.16Å; T306-S308 PolarHBondContact OG1-OG 3.17Å; S308-M311 PolarHBondContact O-N 3.13Å; S308-M312 PolarHBondContact O-N 3.41Å; S308-M312 VanDerWaalsContact O-N 3.08Å
309S59.5Low55.8Low44 Ų44124.2 Ų124.231%0.30865%0.654SS.*Hα-helixtrans-67.1-38.2173.5168.50000111.6T306 M312 M313T306-S309 WeakPolarHBondContact O-CB 3.33Å; T306-S309 PolarHBondContact O-N 2.77Å; T306-S309 WeakPolarHBondContact OG1-CB 3.02Å; T306-S309 PolarHBondContact OG1-N 3.23Å; S309-M312 PolarHBondContact O-N 2.92Å; S309-M313 VanDerWaalsContact O-CG 3.32Å; S309-M313 WeakPolarHBondContact O-CG 3.36Å; S309-M313 PolarHBondContact O-N 3.13Å; S309-M313 VanDerWaalsContact O-N 3.16Å
310K62.8Low54.6Low138 Ų138120.4 Ų120.460%0.666%0.657SS**Hα-helixtrans-66.7-40.3174.7-70.5179-179.91740112.5A305 T306 A307 M313 S314A305-K310 HydrophobicContact CB-CG 4.28Å; T306-K310 PolarHBondContact O-N 2.67Å; T306-K310 VanDerWaalsContact O-N 3.09Å; A307-K310 PolarHBondContact O-N 3.21Å; K310-M313 PolarHBondContact O-N 3.08Å; K310-S314 WeakPolarHBondContact O-CB 3.49Å; K310-S314 PolarHBondContact O-N 3.35Å
311M60.5Low53.9Low150 Ų150117 Ų11774%0.73966%0.656SS**Hα-helixtrans-65.3-41175.7-85.2-162.2168.400112.8A307 S308 M313 S314 W315A307-M311 PolarHBondContact O-N 3.11Å; S308-M311 PolarHBondContact O-N 3.13Å; M311-M313 VanDerWaalsContact C-N 3.32Å; M311-M313 PolarHBondContact O-N 3.49Å; M311-S314 PolarHBondContact O-N 2.61Å; M311-W315 PolarHBondContact O-N 2.9Å
312M58.8Low53Low126 Ų126113 Ų11362%0.62166%0.656SS**Hα-helixtrans-64.6-37.8178.1-164.1-173.5-69.100111.7S308 S309 W315 L316S308-M312 PolarHBondContact O-N 3.41Å; S308-M312 VanDerWaalsContact O-N 3.08Å; S309-M312 PolarHBondContact O-N 2.92Å; M312-W315 PolarHBondContact O-N 3.1Å; M312-L316 HydrophobicContact CG-CD1 4.46Å; M312-L316 WeakPolarHBondContact O-CD1 3.37Å; M312-L316 WeakPolarHBondContact O-CG 3.41Å; M312-L316 PolarHBondContact O-N 3.12Å; M312-L316 VanDerWaalsContact O-N 3.11Å
313M62.9Low52.5Low116 Ų116115 Ų11557%0.57166%0.662SS**Hα-helixtrans-69-39.9174.1-66.8-63.8177.700112.1S309 K310 M311 W315 L316 S317S309-M313 VanDerWaalsContact O-CG 3.32Å; S309-M313 WeakPolarHBondContact O-CG 3.36Å; S309-M313 PolarHBondContact O-N 3.13Å; S309-M313 VanDerWaalsContact O-N 3.16Å; K310-M313 PolarHBondContact O-N 3.08Å; M311-M313 VanDerWaalsContact C-N 3.32Å; M311-M313 PolarHBondContact O-N 3.49Å; M313-W315 VanDerWaalsContact C-N 3.29Å; M313-W315 PolarHBondContact O-N 3.05Å; M313-L316 PolarHBondContact O-N 3.3Å; M313-S317 PolarHBondContact O-N 2.87Å; M313-S317 PolarHBondContact O-OG 3.5Å; M313-S317 VanDerWaalsContact O-OG 3.06Å
314S60Low51.6Low81 Ų81119.2 Ų119.257%0.56667%0.667SS**Hα-helixtrans-61.6-35.4174.3-178.30000112.8K310 M311 S318K310-S314 WeakPolarHBondContact O-CB 3.49Å; K310-S314 PolarHBondContact O-N 3.35Å; M311-S314 PolarHBondContact O-N 2.61Å; S314-S318 PolarHBondContact O-N 2.9Å; S314-S318 PolarHBondContact O-OG 3Å
315W56.2Low50.8Low196 Ų196120 Ų12074%0.74267%0.671SS**Hα-helixtrans-76.2-35.4179.4-167.962.1000112.6M311 M312 M313 S317 S318M311-W315 PolarHBondContact O-N 2.9Å; M312-W315 PolarHBondContact O-N 3.1Å; M313-W315 VanDerWaalsContact C-N 3.29Å; M313-W315 PolarHBondContact O-N 3.05Å; W315-S317 VanDerWaalsContact C-N 3.32Å; W315-S318 PolarHBondContact O-N 2.59Å; W315-S318 PolarHBondContact O-OG 3Å
316L63.1Low50.1Low123 Ų123126.1 Ų126.164%0.64469%0.691SS**Hα-helixtrans-69.3-28.7173.5-74.2164.3000112.7M312 M313M312-L316 HydrophobicContact CG-CD1 4.46Å; M312-L316 WeakPolarHBondContact O-CD1 3.37Å; M312-L316 WeakPolarHBondContact O-CG 3.41Å; M312-L316 PolarHBondContact O-N 3.12Å; M312-L316 VanDerWaalsContact O-N 3.11Å; M313-L316 PolarHBondContact O-N 3.3Å
317S58.2Low49Very low106 Ų106127.7 Ų127.774%0.74170%0.702SS**Hα-helixtrans-82.7-18177.6-600000114.1M313 W315 G319M313-S317 PolarHBondContact O-N 2.87Å; M313-S317 PolarHBondContact O-OG 3.5Å; M313-S317 VanDerWaalsContact O-OG 3.06Å; W315-S317 VanDerWaalsContact C-N 3.32Å; S317-G319 PolarHBondContact O-N 3.16Å
318S47.1Very low47.9Very low74 Ų74131 Ų13152%0.51771%0.708SS.*SBendtrans-8894.4171.656.20000110.1S314 W315S314-S318 PolarHBondContact O-N 2.9Å; S314-S318 PolarHBondContact O-OG 3Å; W315-S318 PolarHBondContact O-N 2.59Å; W315-S318 PolarHBondContact O-OG 3Å
319G39.9Very low46.5Very low67 Ų67133.9 Ų133.969%0.69172%0.723SS**PPolyproline II helixtrans-57.3143.217500000112.8S317S317-G319 PolarHBondContact O-N 3.16Å
320S43.1Very low45Very low117 Ų117138.4 Ų138.482%0.81874%0.744SS**PPolyproline II helixtrans-47139.8175.5-59.80000112.2A322S320-A322 PolarHBondContact O-N 2.93Å
321P40.1Very low43.4Very low130 Ų130139.9 Ų139.984%0.84475%0.753SS**PPolyproline II helixtrans-67.4133.6178.9-7.721.6000110.7
322A37Very low41.8Very low93 Ų93138.9 Ų138.977%0.76976%0.755SS**PPolyproline II helixtrans-60.2135.7174.100000111.8S320 R324S320-A322 PolarHBondContact O-N 2.93Å; A322-R324 PolarHBondContact O-N 3.46Å
323K35.8Very low40.4Very low213 Ų213142.6 Ų142.693%0.92677%0.768SS**PPolyproline II helixtrans-50.5120.4167.5-89.5176.9169.4177.10110.4
324R30.9Very low38.7Very low247 Ų247141 Ų14193%0.93278%0.781SS**PPolyproline II helixtrans-86.3126.3156.5-76.8-174.1-176.2-172.30.9108.9A322A322-R324 PolarHBondContact O-N 3.46Å
325K33.9Very low37.1Very low200 Ų200145.9 Ų145.987%0.8780%0.795SS**PPolyproline II helixtrans-79.8152.7162.9-82.5-178.2169.9-176.70109.4
326E30.9Very low35.8Very low182 Ų182145 Ų14585%0.8580%0.799SS**  trans174.4158.9145.3-89.3-99155.300108.2
327P37Very low34.1Very low113 Ų113146.9 Ų146.973%0.73481%0.81SS**  -113.1-179.9-105.417.45.6000115.9
328D30.5Very low32.7Very low152 Ų152147.6 Ų147.681%0.81382%0.815SS**  trans-36.8145.6-177.3-95.5-41.7000119.3
329T28.5Very low31.9Very low144 Ų144154 Ų15488%0.88383%0.833SS**  -165.2134.3125.516.70000113.4
330N27.6Very low31.4Very low139 Ų139156 Ų15674%0.74384%0.843SS**  trans-17.8140.4173.8-81.1-13000123.5
331E28.6Very low30.8Very low169 Ų169160.4 Ų160.479%0.7985%0.847SS**  trans37.7124131.7-56.3-171.2147.200120.3
332T26.9Very low30.3Very low129 Ų129159.9 Ų159.979%0.79185%0.847SS**  168151.791.7-46.60000110.5
333K30.3Very low29.8Very low204 Ų204166.7 Ų166.789%0.88785%0.852SS**  trans-29.6147.3175.1-65.7170.6173.6175.50118.3
334G26.3Very low29.3Very low82 Ų82162.5 Ų162.585%0.84585%0.848SS**  trans-172123.9160.600000112.8
335E27.5Very low29.8Very low183 Ų183159.6 Ų159.686%0.85584%0.843SS**  trans-87.6168.8-176.3-157.3173.2-176.200111.5
336Q28Very low30.1Very low178 Ų178156.3 Ų156.383%0.83284%0.842SS**  trans102.8118.3158.5-60.7-173.7-300121.5
337D29.1Very low30.3Very low163 Ų163152.2 Ų152.287%0.87284%0.839SS**  trans10.3134.7137.3-92.8-30.8000120.9
338S28.6Very low30Very low121 Ų121150.7 Ų150.785%0.84684%0.844SS**  -167.9137.312643.10000114
339K28.6Very low30.5Very low209 Ų209147.3 Ų147.391%0.90985%0.845SS**  trans-64144.7169.6-80166.4171.1160.80112.4
340A29.6Very low31.1Very low107 Ų107148.7 Ų148.788%0.88485%0.846SS**  trans-149127142.200000112
341K31.6Very low31.5Very low211 Ų211150.1 Ų150.192%0.91785%0.848SS**  trans-80.6145.1174.8-74.7171.7171.7174.20110.9
342S28.2Very low31.9Very low119 Ų119150.6 Ų150.683%0.83286%0.855SS**  trans174.4140.8151149.10000108.4
343R27.2Very low32.4Very low235 Ų235155.9 Ų155.989%0.88786%0.861SS**  cis-168.8164.2-18.5-157.6171.7169.6-172.9-3.7104.8
344C26.6Very low32.8Very low125 Ų125153.4 Ų153.485%0.84586%0.857SS**  trans-45.1156.6-170.7-73.40000120.6
345K40.3Very low33.4Very low187 Ų187158.7 Ų158.781%0.81386%0.859SS**  trans-51.7176.2164.7-58.3176.1175.7176.80113.7
346P41.4Very low33.6Very low130 Ų130153.3 Ų153.384%0.84485%0.853SS**  -132.6142.510232.1-19.7000114.6
347A34.5Very low33.9Very low96 Ų96149.6 Ų149.679%0.79385%0.853SS**  trans-74.2136166.700000109.3
348G30.7Very low34.1Very low81 Ų81149.4 Ų149.484%0.83585%0.852SS**  trans-112.1135.2174.900000111.6
349G40.3Very low34.4Very low82 Ų82153.8 Ų153.885%0.84586%0.856SS**SBendtrans11612141.700000120.2
350L40.7Very low34.7Very low172 Ų172153.1 Ų153.190%0.90185%0.853SS**SBendtrans-13613.1179.5-105.4155.2000115.7
351Q37.1Very low35.2Very low170 Ų170154 Ų15479%0.79485%0.849SS**SBendtrans-121.845.9-179.2-156.2157.610.600112.5
352L36Very low35.2Very low178 Ų178155.4 Ų155.493%0.93285%0.849SS**SBendtrans-125.910.8171.4-125.794.3000114.1
353W37.3Very low35.4Very low240 Ų240156 Ų15691%0.90985%0.848SS**SBendtrans-114.60.3177.8-151.475000114
354L38.5Very low35.8Very low152 Ų152158.1 Ų158.180%0.79686%0.863SS**SBendtrans-117.625.7-174.6-84.2170.9000115.1
355Q39.1Very low36.3Very low193 Ų193159.8 Ų159.890%0.90286%0.864SS**  trans-13579.2169.6-70.3-172.33.500111.2
356G32.5Very low36.1Very low71 Ų71158.3 Ų158.373%0.73287%0.867SS**  trans-138125.4163.700000108.8
357A34.2Very low35.8Very low100 Ų100159.9 Ų159.983%0.82687%0.868SS**  trans78.190.3170.400000117.8
358N32.2Very low35.9Very low159 Ų159163.6 Ų163.685%0.8587%0.873SS**  trans-153.592136-127.9-12.4000111.6
359K36.2Very low36.2Very low212 Ų212168.8 Ų168.892%0.92288%0.875SS**  trans-141.9110.6156-75.2-166.3179.1177.20109.7
360K34.5Very low35.9Very low196 Ų196174.6 Ų174.685%0.85288%0.877SS**  trans-77.9163.6163.2-95.2-174.6-179.1-178.50110.4
361P40.7Very low35.6Very low124 Ų124174.8 Ų174.881%0.80588%0.875SS**  trans-88.6163.6-152.636.1-34.5000112.9
362R30.8Very low35.4Very low242 Ų242175.2 Ų175.291%0.91388%0.881SS**  trans-129.6116.5166.2-134.3176.1177.8171.2-1.7109.6
363T33.2Very low35.4Very low132 Ų132174.9 Ų174.981%0.8188%0.877SS**  trans-48.9152.4153.340.90000109.8
364K35.6Very low35.2Very low278 Ų278169 Ų169100%1.20987%0.874SS**  cis-144.7030.3-115.8179.2-178.9-1780108.6

Retrieved 364 of 364 residues in 249 ms (Link to these results)

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