A0A087XR69_POEFO Loading...

THO complex 6

AlphaFold DB (A0A3B3U7I9), UniProt , Accession A0A087XR69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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
1M57.8Low74.6Confident89 Ų8970.1 Ų70.144%0.43839%0.391SS..  0143.70-75.3-166.3-169.100112.6E5 L6 M9 N27 Y29 E31M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; M1-E5 HydrophobicContact CB-CB 4.29Å; M1-E5 WeakPolarHBondContact CB-OE2 3.37Å; M1-E5 HydrophobicContact CG-CB 4.32Å; M1-E5 WeakPolarHBondContact CG-OE2 3.26Å; M1-E5 HydrophobicContact SD-CB 4.19Å; M1-L6 HydrophobicContact CB-CG 4.47Å; M1-L6 HydrophobicContact SD-CD2 4.03Å; M1-L6 HydrophobicContact SD-CG 4.48Å; M1-M9 HydrophobicContact CE-SD 3.6Å; M1-M9 VanDerWaalsContact CE-SD 3.6Å; M1-M9 HydrophobicContact SD-SD 3.82Å; M1-N27 WeakPolarHBondContact CE-ND2 3.47Å; M1-Y29 HydrophobicContact CE-CD2 3.72Å; M1-Y29 HydrophobicContact CE-CE2 4.43Å; M1-Y29 HydrophobicContact CE-CG 4.4Å; M1-Y29 HydrophobicContact SD-CD2 4.45Å; M1-E31 VanDerWaalsContact CE-CD 3.45Å; M1-E31 HydrophobicContact CE-CG 4.28Å; M1-E31 WeakPolarHBondContact CE-OE2 3.5Å
2G61.1Low76.2Confident29 Ų2969.5 Ų69.530%0.29938%0.381SS..  trans-80.8167.7167.400000113.2V4 E5 L6G2-V4 PolarHBondContact O-N 2.77Å; G2-E5 PolarHBondContact N-OE2 2.85Å; G2-E5 PolarHBondContact O-N 2.97Å; G2-L6 PolarHBondContact O-N 2.87Å
3P64.8Low77.7Confident110 Ų11064.6 Ų64.671%0.71436%0.355SS*.THydrogen-bonded Turntrans-62-28.9-179.3-7.713.5000114
4V65.4Low79Confident99 Ų9960.2 Ų60.260%0.633%0.331SS*.THydrogen-bonded Turntrans-75.6-37.5-179.7-179.50000111.6G2 L6 L7G2-V4 PolarHBondContact O-N 2.77Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 2.86Å; V4-L7 WeakPolarHBondContact O-CB 3.32Å; V4-L7 PolarHBondContact O-N 3.43Å; V4-L7 VanDerWaalsContact O-N 3.1Å
5E69.8Low80.1Confident85 Ų8556.5 Ų56.540%0.39731%0.311SS..G310 helixtrans-63.3-37178.6-68.3167.9169.600111M1 G2 L7 H8 M9 Y29M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; M1-E5 HydrophobicContact CB-CB 4.29Å; M1-E5 WeakPolarHBondContact CB-OE2 3.37Å; M1-E5 HydrophobicContact CG-CB 4.32Å; M1-E5 WeakPolarHBondContact CG-OE2 3.26Å; M1-E5 HydrophobicContact SD-CB 4.19Å; G2-E5 PolarHBondContact N-OE2 2.85Å; G2-E5 PolarHBondContact O-N 2.97Å; E5-L7 VanDerWaalsContact C-N 3.27Å; E5-L7 PolarHBondContact O-N 3.17Å; E5-H8 PolarHBondContact O-N 3.41Å; E5-M9 WeakPolarHBondContact O-CB 3.49Å; E5-M9 PolarHBondContact O-N 3.29Å; E5-Y29 HydrophobicContact CB-CE2 4.27Å; E5-Y29 WeakPolarHBondContact O-CE2 3.45Å; E5-Y29 PolarHBondContact O-OH 3.19Å
6L71.5Confident81.1Confident56 Ų5653.6 Ų53.629%0.29329%0.294SS..G310 helixtrans-65.5-25.1175.6-70.7170.5000113.8M1 G2 V4 M9M1-L6 HydrophobicContact CB-CG 4.47Å; M1-L6 HydrophobicContact SD-CD2 4.03Å; M1-L6 HydrophobicContact SD-CG 4.48Å; G2-L6 PolarHBondContact O-N 2.87Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 2.86Å; L6-M9 HydrophobicContact CD2-CE 3.74Å
7L71.6Confident81.9Confident139 Ų13950.6 Ų50.673%0.72828%0.278SS*.G310 helixtrans-75-31.5176.8-70.3169.5000112V4 E5V4-L7 WeakPolarHBondContact O-CB 3.32Å; V4-L7 PolarHBondContact O-N 3.43Å; V4-L7 VanDerWaalsContact O-N 3.1Å; E5-L7 VanDerWaalsContact C-N 3.27Å; E5-L7 PolarHBondContact O-N 3.17Å
8H81.3Confident82.3Confident132 Ų13250.2 Ų50.261%0.61128%0.278SS*.SBendtrans-101.54.9-179.6-65.7-69.3000113.2E5E5-H8 PolarHBondContact O-N 3.41Å
9M89Confident82.7Confident2 Ų250.8 Ų50.81%0.0129%0.285CS..  trans-74136.4-177.7-172.6165.96300111.6M1 E5 L6 N27 N28 Y29 S305 F323M1-M9 HydrophobicContact CE-SD 3.6Å; M1-M9 VanDerWaalsContact CE-SD 3.6Å; M1-M9 HydrophobicContact SD-SD 3.82Å; E5-M9 WeakPolarHBondContact O-CB 3.49Å; E5-M9 PolarHBondContact O-N 3.29Å; L6-M9 HydrophobicContact CD2-CE 3.74Å; M9-N27 HydrophobicContact CG-CB 4Å; M9-N27 HydrophobicContact SD-CB 3.9Å; M9-N27 PolarHBondContact SD-ND2 3.31Å; M9-N27 VanDerWaalsContact SD-ND2 3.42Å; M9-N28 WeakPolarHBondContact CA-OD1 3.35Å; M9-Y29 HydrophobicContact CB-CE2 4.09Å; M9-Y29 HydrophobicContact CG-CD2 4.41Å; M9-Y29 HydrophobicContact CG-CE2 4.31Å; M9-S305 CarbonylContact O-C 3.56Å; M9-S305 WeakPolarHBondContact O-CA 3.35Å; M9-S305 PolarHBondContact O-N 3.2Å; M9-F323 HydrophobicContact CE-CB 3.14Å; M9-F323 HydrophobicContact CE-CD1 3.95Å; M9-F323 HydrophobicContact CE-CD2 3.8Å; M9-F323 HydrophobicContact CE-CG 3.39Å; M9-F323 HydrophobicContact SD-CB 4.17Å; M9-F323 HydrophobicContact SD-CD1 3.97Å; M9-F323 HydrophobicContact SD-CE1 4.48Å; M9-F323 HydrophobicContact SD-CG 4.03Å
10S92.6Very high83Confident30 Ų3048.3 Ų48.321%0.2127%0.271CS..  trans-125.2137.4171.6-62.60000110.3N27 N28 G303S10-N27 CarbonylContact O-C 3.54Å; S10-N27 VanDerWaalsContact O-CA 3.27Å; S10-N27 WeakPolarHBondContact O-CA 3.06Å; S10-N28 PolarHBondContact N-OD1 3.09Å; S10-N28 PolarHBondContact O-N 3.35Å; S10-N28 VanDerWaalsContact O-N 3.09Å; S10-N28 PolarHBondContact O-OD1 3.19Å; S10-G303 CarbonylContact C-O 3.16Å; S10-G303 VanDerWaalsContact CA-O 3.3Å; S10-G303 WeakPolarHBondContact CA-O 3.37Å
11V95.3Very high83.4Confident0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-89121.4170.8-175.10000108Q14 A25 N285 T286 G303 I308 F323V11-Q14 HydrophobicContact CG1-CG 4.25Å; V11-A25 HydrophobicContact CG1-CB 4.25Å; V11-N285 PolarHBondContact O-ND2 3.44Å; V11-T286 HydrophobicContact CG1-CG2 4.08Å; V11-G303 PolarHBondContact N-O 2.88Å; V11-I308 HydrophobicContact CG1-CD1 4.43Å; V11-I308 HydrophobicContact CG1-CG1 4.41Å; V11-I308 HydrophobicContact CG2-CG1 4.07Å; V11-F323 HydrophobicContact CG2-CD2 4.2Å; V11-F323 HydrophobicContact CG2-CE2 3.42Å; V11-F323 VanDerWaalsContact CG2-CE2 3.42Å; V11-F323 HydrophobicContact CG2-CZ 4.04Å
12F94.1Very high85.2Confident63 Ų6350.1 Ų50.128%0.27627%0.27SS..EExtended strand (participates in β ladder)trans-100.1-37.4179.9-76.8-58.4000112.6G26 N28 P62 V63 F64 T286F12-G26 PolarHBondContact N-O 3.22Å; F12-N28 HydrophobicContact CD2-CB 4.03Å; F12-N28 HydrophobicContact CE2-CB 3.41Å; F12-N28 VanDerWaalsContact CE2-CB 3.41Å; F12-N28 HydrophobicContact CZ-CB 4.32Å; F12-P62 HydrophobicContact CD2-CB 4.12Å; F12-P62 HydrophobicContact CE2-CB 4.05Å; F12-V63 WeakPolarHBondContact CB-O 3.27Å; F12-F64 HydrophobicContact CD2-CD1 4.46Å; F12-F64 HydrophobicContact CE2-CE1 4.4Å; F12-F64 HydrophobicContact CG-CD1 4.42Å; F12-T286 WeakPolarHBondContact O-CB 3.29Å
13S95.4Very high86.8Confident6 Ų648.7 Ų48.74%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-137.4150.2-170.756.40000112A25 G26 V63 F64 L66S13-A25 WeakPolarHBondContact O-CA 3.49Å; S13-G26 PolarHBondContact O-N 2.76Å; S13-V63 PolarHBondContact OG-O 2.95Å; S13-F64 WeakPolarHBondContact CB-O 3.23Å; S13-L66 WeakPolarHBondContact OG-CD1 3.38Å; S13-L66 WeakPolarHBondContact OG-CG 3.39Å
14Q96.4Very high88.4Confident3 Ų343.5 Ų43.51%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-142.1145.5178.5-75.1175.974.100109.9V11 L23 A24 A25 T286 Q288 T300 G302V11-Q14 HydrophobicContact CG1-CG 4.25Å; Q14-L23 HydrophobicContact CB-CD1 4.2Å; Q14-L23 HydrophobicContact CG-CD1 4.48Å; Q14-A24 CarbonylContact C-O 3.6Å; Q14-A24 VanDerWaalsContact CA-O 3.31Å; Q14-A24 WeakPolarHBondContact CA-O 3.42Å; Q14-A25 HydrophobicContact CG-CB 4.28Å; Q14-T286 HydrophobicContact CG-CG2 4.04Å; Q14-T286 PolarHBondContact NE2-O 3.11Å; Q14-T286 PolarHBondContact NE2-OG1 2.61Å; Q14-Q288 HydrophobicContact CB-CB 4.45Å; Q14-Q288 HydrophobicContact CB-CG 3.95Å; Q14-T300 VanDerWaalsContact OE1-CB 3.23Å; Q14-T300 PolarHBondContact OE1-OG1 2.87Å; Q14-G302 VanDerWaalsContact NE2-N 3.15Å
15S96.1Very high89.9Confident5 Ų538.8 Ų38.84%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-151135.1173.7-172.30000111.4A24 S68S15-A24 PolarHBondContact N-O 2.95Å; S15-A24 PolarHBondContact O-N 3.46Å; S15-S68 VanDerWaalsContact OG-CB 3.29Å; S15-S68 WeakPolarHBondContact OG-CB 3.46Å; S15-S68 PolarHBondContact OG-N 3.48Å; S15-S68 VanDerWaalsContact OG-N 3.1Å; S15-S68 PolarHBondContact OG-OG 3.36Å; S15-S68 VanDerWaalsContact OG-OG 3.1Å
16F95.7Very high91.2Very high10 Ų1034.7 Ų34.74%0.04417%0.174CC..EExtended strand (participates in β ladder)trans-84.3144.3175.6-69.2-71.8000111.3L23 L37 S68 Q288 N290 V298 T300F16-L23 HydrophobicContact CD1-CB 4.25Å; F16-L23 HydrophobicContact CD1-CD1 3.86Å; F16-L23 HydrophobicContact CE1-CB 4.22Å; F16-L23 HydrophobicContact CE1-CD1 3.67Å; F16-L23 HydrophobicContact CE1-CG 4.42Å; F16-L23 HydrophobicContact CG-CD1 4.41Å; F16-L23 HydrophobicContact CZ-CD1 4.08Å; F16-L37 HydrophobicContact CD1-CD1 3.63Å; F16-L37 HydrophobicContact CE1-CD1 3.46Å; F16-L37 VanDerWaalsContact CE1-CD1 3.46Å; F16-S68 WeakPolarHBondContact O-CB 3.32Å; F16-S68 PolarHBondContact O-OG 2.79Å; F16-Q288 HydrophobicContact CD2-CB 4.2Å; F16-Q288 HydrophobicContact CE2-CB 3.62Å; F16-Q288 HydrophobicContact CZ-CB 4.42Å; F16-N290 HydrophobicContact CD1-CB 4Å; F16-N290 HydrophobicContact CD2-CB 3.9Å; F16-N290 HydrophobicContact CE1-CB 3.81Å; F16-N290 HydrophobicContact CE2-CB 3.69Å; F16-N290 VanDerWaalsContact CE2-N 3.33Å; F16-N290 HydrophobicContact CG-CB 4.05Å; F16-N290 HydrophobicContact CZ-CB 3.66Å; F16-V298 HydrophobicContact CE1-CG2 4.43Å; F16-V298 HydrophobicContact CZ-CG2 4.44Å; F16-T300 HydrophobicContact CE1-CG2 4.11Å; F16-T300 HydrophobicContact CZ-CG2 3.73Å; F16-T300 WeakPolarHBondContact CZ-OG1 3.35Å
17S94.1Very high92.3Very high2 Ų232 Ų321%0.01416%0.16CC..  trans-59.7156.1166.859.30000112C19 G20 R21 F22S17-C19 PolarHBondContact O-N 2.92Å; S17-C19 PolarHBondContact OG-SG 3.06Å; S17-G20 WeakPolarHBondContact O-CA 3.23Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-G20 PolarHBondContact OG-N 3.48Å; S17-R21 PolarHBondContact OG-N 2.99Å; S17-F22 PolarHBondContact N-O 3.42Å; S17-F22 PolarHBondContact OG-N 3.36Å; S17-F22 PolarHBondContact OG-O 2.87Å
18P89.7Confident93.3Very high44 Ų4427.2 Ų27.229%0.28614%0.135SC..THydrogen-bonded Turntrans-57.3-35179.2-30.239.8000113.7G20 T69 D70P18-G20 VanDerWaalsContact C-N 3.28Å; P18-G20 PolarHBondContact O-N 3.21Å; P18-T69 WeakPolarHBondContact CG-O 3.47Å; P18-D70 VanDerWaalsContact CG-O 3.3Å; P18-D70 WeakPolarHBondContact CG-O 3.49Å
19C89Confident93.8Very high61 Ų6124.8 Ų24.841%0.41212%0.121SC..THydrogen-bonded Turntrans-81.5-5177.162.60000113.7S17 R21S17-C19 PolarHBondContact O-N 2.92Å; S17-C19 PolarHBondContact OG-SG 3.06Å; C19-R21 HydrophobicContact CB-CG 4.36Å; C19-R21 PolarHBondContact O-N 2.78Å
20G89.7Confident94Very high0 Ų024.7 Ų24.70%012%0.121CC..SBendtrans67.69.6-177.700000114.9S17 P18 N290 H296S17-G20 WeakPolarHBondContact O-CA 3.23Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-G20 PolarHBondContact OG-N 3.48Å; P18-G20 VanDerWaalsContact C-N 3.28Å; P18-G20 PolarHBondContact O-N 3.21Å; G20-N290 PolarHBondContact O-ND2 3.07Å; G20-H296 WeakPolarHBondContact O-CB 3.1Å
21R91.9Very high94.1Very high139 Ų13925 Ų2553%0.52512%0.119SC..SBendtrans-90.6-22.9-177.8-61.8-175.5-175.9179.41113.7S17 C19 L37 A38S17-R21 PolarHBondContact OG-N 2.99Å; C19-R21 HydrophobicContact CB-CG 4.36Å; C19-R21 PolarHBondContact O-N 2.78Å; R21-L37 WeakPolarHBondContact O-CA 3.37Å; R21-L37 WeakPolarHBondContact O-CB 3.47Å; R21-L37 PolarHBondContact O-N 2.96Å; R21-A38 HydrophobicContact CB-CB 4.34Å; R21-A38 PolarHBondContact O-N 3.4Å
22F94.2Very high94.2Very high37 Ų3725 Ų2516%0.16212%0.119CC..EExtended strand (participates in β ladder)trans-119.9147.8178.9-58.3-87.8000111.4S17 F35 W86 I90S17-F22 PolarHBondContact N-O 3.42Å; S17-F22 PolarHBondContact OG-N 3.36Å; S17-F22 PolarHBondContact OG-O 2.87Å; F22-F35 CarbonylContact C-O 3.59Å; F22-F35 WeakPolarHBondContact CA-O 3.21Å; F22-W86 HydrophobicContact CB-CZ3 4.11Å; F22-I90 HydrophobicContact CD2-CD1 4.05Å; F22-I90 HydrophobicContact CD2-CG1 4.24Å; F22-I90 HydrophobicContact CE2-CD1 3.68Å; F22-I90 HydrophobicContact CE2-CG1 3.88Å; F22-I90 HydrophobicContact CZ-CD1 4.3Å; F22-I90 HydrophobicContact CZ-CG1 4.05Å; F22-I90 HydrophobicContact CZ-CG2 4.26Å
23L96.1Very high94.3Very high0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-116.5126.2170.5173.170000108.5Q14 F16 L34 F35 L37 T300 I308 L321Q14-L23 HydrophobicContact CB-CD1 4.2Å; Q14-L23 HydrophobicContact CG-CD1 4.48Å; F16-L23 HydrophobicContact CD1-CB 4.25Å; F16-L23 HydrophobicContact CD1-CD1 3.86Å; F16-L23 HydrophobicContact CE1-CB 4.22Å; F16-L23 HydrophobicContact CE1-CD1 3.67Å; F16-L23 HydrophobicContact CE1-CG 4.42Å; F16-L23 HydrophobicContact CG-CD1 4.41Å; F16-L23 HydrophobicContact CZ-CD1 4.08Å; L23-L34 CarbonylContact O-C 3.55Å; L23-L34 WeakPolarHBondContact O-CA 3.29Å; L23-F35 HydrophobicContact CB-CB 4.38Å; L23-F35 PolarHBondContact N-O 3.33Å; L23-F35 PolarHBondContact O-N 2.93Å; L23-L37 HydrophobicContact CB-CD1 4.15Å; L23-L37 HydrophobicContact CB-CD2 4.1Å; L23-L37 HydrophobicContact CB-CG 4.14Å; L23-T300 HydrophobicContact CD2-CG2 4.15Å; L23-I308 HydrophobicContact CD2-CD1 4.26Å; L23-I308 HydrophobicContact CD2-CG2 4.29Å; L23-L321 HydrophobicContact CD2-CD1 3.9Å
24A97.2Very high94.3Very high0 Ų022 Ų220%011%0.105CC..EExtended strand (participates in β ladder)trans-94.1136.5165.700000109.7Q14 S15 I32 A33 L34 L66 L73 W86Q14-A24 CarbonylContact C-O 3.6Å; Q14-A24 VanDerWaalsContact CA-O 3.31Å; Q14-A24 WeakPolarHBondContact CA-O 3.42Å; S15-A24 PolarHBondContact N-O 2.95Å; S15-A24 PolarHBondContact O-N 3.46Å; A24-I32 HydrophobicContact CB-CG2 4.3Å; A24-A33 CarbonylContact C-O 3.58Å; A24-A33 WeakPolarHBondContact CA-O 3.35Å; A24-L34 HydrophobicContact CB-CD2 3.6Å; A24-L66 HydrophobicContact CB-CD1 4.34Å; A24-L73 HydrophobicContact CB-CD1 4.07Å; A24-L73 HydrophobicContact CB-CD2 3.69Å; A24-W86 HydrophobicContact CB-CH2 3.85Å
25A97.2Very high94.3Very high0 Ų021.9 Ų21.90%011%0.105CC..EExtended strand (participates in β ladder)trans-135132175.900000110.9V11 S13 Q14 I32 A33 F35 I308 F323V11-A25 HydrophobicContact CG1-CB 4.25Å; S13-A25 WeakPolarHBondContact O-CA 3.49Å; Q14-A25 HydrophobicContact CG-CB 4.28Å; A25-I32 WeakPolarHBondContact O-CA 3.35Å; A25-A33 PolarHBondContact N-O 3.24Å; A25-A33 PolarHBondContact O-N 2.91Å; A25-F35 HydrophobicContact CB-CE2 4.19Å; A25-I308 HydrophobicContact CB-CD1 3.39Å; A25-F323 HydrophobicContact CB-CE2 3.98Å; A25-F323 HydrophobicContact CB-CZ 3.6Å
26G96.4Very high94.2Very high0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-105138.9-178.800000111.3F12 S13 E31 L66F12-G26 PolarHBondContact N-O 3.22Å; S13-G26 PolarHBondContact O-N 2.76Å; G26-E31 WeakPolarHBondContact CA-O 3.37Å; G26-L66 VanDerWaalsContact N-CD1 3.29Å
27N94.7Very high94Very high0 Ų022 Ų220%011%0.107CC..EExtended strand (participates in β ladder)trans-113.3177.6-17871.720.4000113.6M1 M9 S10 Y29 G30 E31 V63 F323M1-N27 WeakPolarHBondContact CE-ND2 3.47Å; M9-N27 HydrophobicContact CG-CB 4Å; M9-N27 HydrophobicContact SD-CB 3.9Å; M9-N27 PolarHBondContact SD-ND2 3.31Å; M9-N27 VanDerWaalsContact SD-ND2 3.42Å; S10-N27 CarbonylContact O-C 3.54Å; S10-N27 VanDerWaalsContact O-CA 3.27Å; S10-N27 WeakPolarHBondContact O-CA 3.06Å; N27-Y29 PolarHBondContact O-N 3.48Å; N27-Y29 WeakPolarHBondContact OD1-CA 3.27Å; N27-Y29 PolarHBondContact OD1-N 3.26Å; N27-G30 PolarHBondContact O-N 3.44Å; N27-G30 PolarHBondContact OD1-N 2.87Å; N27-E31 PolarHBondContact N-O 3.21Å; N27-E31 PolarHBondContact OD1-N 3.46Å; N27-E31 PolarHBondContact OD1-O 3.01Å; N27-V63 PolarHBondContact O-N 2.87Å; N27-F323 HydrophobicContact CB-CE1 4.17Å; N27-F323 HydrophobicContact CB-CZ 4.41Å
28N93.7Very high93.8Very high37 Ų3723.7 Ų23.720%0.19812%0.121CC..THydrogen-bonded Turntrans-71.9-10.1178.867.7-68.8000115M9 S10 F12 P62M9-N28 WeakPolarHBondContact CA-OD1 3.35Å; S10-N28 PolarHBondContact N-OD1 3.09Å; S10-N28 PolarHBondContact O-N 3.35Å; S10-N28 VanDerWaalsContact O-N 3.09Å; S10-N28 PolarHBondContact O-OD1 3.19Å; F12-N28 HydrophobicContact CD2-CB 4.03Å; F12-N28 HydrophobicContact CE2-CB 3.41Å; F12-N28 VanDerWaalsContact CE2-CB 3.41Å; F12-N28 HydrophobicContact CZ-CB 4.32Å; N28-P62 WeakPolarHBondContact O-CG 3.4Å
29Y92.4Very high93.8Very high81 Ų8123 Ų2332%0.31812%0.118SC..THydrogen-bonded Turntrans-100.76.6179-60-74.2000112.8M1 E5 M9 N27 E31M1-Y29 HydrophobicContact CE-CD2 3.72Å; M1-Y29 HydrophobicContact CE-CE2 4.43Å; M1-Y29 HydrophobicContact CE-CG 4.4Å; M1-Y29 HydrophobicContact SD-CD2 4.45Å; E5-Y29 HydrophobicContact CB-CE2 4.27Å; E5-Y29 WeakPolarHBondContact O-CE2 3.45Å; E5-Y29 PolarHBondContact O-OH 3.19Å; M9-Y29 HydrophobicContact CB-CE2 4.09Å; M9-Y29 HydrophobicContact CG-CD2 4.41Å; M9-Y29 HydrophobicContact CG-CE2 4.31Å; N27-Y29 PolarHBondContact O-N 3.48Å; N27-Y29 WeakPolarHBondContact OD1-CA 3.27Å; N27-Y29 PolarHBondContact OD1-N 3.26Å; Y29-E31 VanDerWaalsContact C-N 3.34Å
30G92.6Very high93.9Very high0 Ų020.3 Ų20.30%010%0.101CC..SBendtrans81.611.7179.700000114.9N27 A58 H59 G61N27-G30 PolarHBondContact O-N 3.44Å; N27-G30 PolarHBondContact OD1-N 2.87Å; G30-A58 PolarHBondContact O-N 3.1Å; G30-H59 WeakPolarHBondContact CA-O 3.04Å; G30-H59 PolarHBondContact O-N 3.1Å; G30-G61 WeakPolarHBondContact CA-O 3.15Å; G30-G61 PolarHBondContact N-O 2.79Å
31E94.8Very high93.8Very high38 Ų3822.6 Ų22.618%0.17811%0.113CC..EExtended strand (participates in β ladder)trans-93146.8175.3-49.2-177.7159.300111.9M1 G26 N27 Y29 T55 F56M1-E31 VanDerWaalsContact CE-CD 3.45Å; M1-E31 HydrophobicContact CE-CG 4.28Å; M1-E31 WeakPolarHBondContact CE-OE2 3.5Å; G26-E31 WeakPolarHBondContact CA-O 3.37Å; N27-E31 PolarHBondContact N-O 3.21Å; N27-E31 PolarHBondContact OD1-N 3.46Å; N27-E31 PolarHBondContact OD1-O 3.01Å; Y29-E31 VanDerWaalsContact C-N 3.34Å; E31-T55 HydrophobicContact CB-CG2 4.22Å; E31-T55 WeakPolarHBondContact OE2-CG2 3.25Å; E31-F56 CarbonylContact C-O 3.57Å; E31-F56 VanDerWaalsContact CA-O 3.27Å; E31-F56 WeakPolarHBondContact CA-O 3.14Å
32I96.3Very high93.7Very high0 Ų018.2 Ų18.20%010%0.103CC..EExtended strand (participates in β ladder)trans-113126.7170.2-61.3174.9000108.3A24 A25 T55 F56 A58 V63 L66 L73A24-I32 HydrophobicContact CB-CG2 4.3Å; A25-I32 WeakPolarHBondContact O-CA 3.35Å; I32-T55 WeakPolarHBondContact O-CA 3.31Å; I32-F56 HydrophobicContact CB-CE1 3.94Å; I32-F56 HydrophobicContact CB-CE2 4.28Å; I32-F56 HydrophobicContact CB-CZ 3.81Å; I32-F56 HydrophobicContact CD1-CE2 4.25Å; I32-F56 HydrophobicContact CD1-CZ 4.04Å; I32-F56 HydrophobicContact CG1-CZ 4.45Å; I32-F56 HydrophobicContact CG2-CE1 4.04Å; I32-F56 HydrophobicContact CG2-CZ 4.08Å; I32-F56 PolarHBondContact N-O 3.11Å; I32-F56 PolarHBondContact O-N 3.27Å; I32-F56 VanDerWaalsContact O-N 3.09Å; I32-A58 HydrophobicContact CD1-CB 3.39Å; I32-A58 HydrophobicContact CG1-CB 3.68Å; I32-V63 HydrophobicContact CG1-CG1 4.39Å; I32-V63 HydrophobicContact CG1-CG2 4.19Å; I32-L66 HydrophobicContact CD1-CD2 3.79Å; I32-L66 HydrophobicContact CG1-CD2 4.35Å; I32-L73 HydrophobicContact CG2-CD2 4.36Å
33A96Very high93.3Very high0 Ų022.6 Ų22.60%014%0.136CC..EExtended strand (participates in β ladder)trans-105.9136.5173.300000110.7A24 A25 F35 P52 L54 F323A24-A33 CarbonylContact C-O 3.58Å; A24-A33 WeakPolarHBondContact CA-O 3.35Å; A25-A33 PolarHBondContact N-O 3.24Å; A25-A33 PolarHBondContact O-N 2.91Å; A33-F35 HydrophobicContact CB-CD2 4.49Å; A33-F35 HydrophobicContact CB-CE2 3.72Å; A33-F35 HydrophobicContact CB-CZ 4.05Å; A33-P52 HydrophobicContact CB-CB 4.01Å; A33-L54 WeakPolarHBondContact CA-O 3.43Å; A33-F323 HydrophobicContact CB-CD1 3.53Å; A33-F323 HydrophobicContact CB-CE1 3.29Å; A33-F323 HydrophobicContact CB-CG 4.34Å; A33-F323 HydrophobicContact CB-CZ 3.94Å
34L96.4Very high92.8Very high5 Ų529.4 Ų29.43%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-107.9120.8174.2-64.4-178.6000110.6L23 A24 P52 V53 L54 W86 L89L23-L34 CarbonylContact O-C 3.55Å; L23-L34 WeakPolarHBondContact O-CA 3.29Å; A24-L34 HydrophobicContact CB-CD2 3.6Å; L34-P52 CarbonylContact O-C 3.48Å; L34-P52 WeakPolarHBondContact O-CA 3.45Å; L34-V53 PolarHBondContact O-N 2.75Å; L34-L54 HydrophobicContact CB-CB 4.32Å; L34-L54 HydrophobicContact CD1-CB 4.3Å; L34-L54 HydrophobicContact CD1-CD2 3.89Å; L34-L54 PolarHBondContact N-O 2.84Å; L34-W86 HydrophobicContact CD2-CH2 4.19Å; L34-W86 HydrophobicContact CD2-CZ3 3.79Å; L34-L89 HydrophobicContact CD1-CB 3.75Å; L34-L89 HydrophobicContact CD1-CD1 4.25Å; L34-L89 HydrophobicContact CD1-CD2 4.43Å; L34-L89 HydrophobicContact CD1-CG 4.38Å
35F95.3Very high92.3Very high1 Ų131.2 Ų31.20%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-105.9137.8176.6-61.8-85.8000110.7F22 L23 A25 A33 L37 P52 I308 L321 S322 F323F22-F35 CarbonylContact C-O 3.59Å; F22-F35 WeakPolarHBondContact CA-O 3.21Å; L23-F35 HydrophobicContact CB-CB 4.38Å; L23-F35 PolarHBondContact N-O 3.33Å; L23-F35 PolarHBondContact O-N 2.93Å; A25-F35 HydrophobicContact CB-CE2 4.19Å; A33-F35 HydrophobicContact CB-CD2 4.49Å; A33-F35 HydrophobicContact CB-CE2 3.72Å; A33-F35 HydrophobicContact CB-CZ 4.05Å; F35-L37 PolarHBondContact O-N 3.32Å; F35-P52 HydrophobicContact CD1-CB 4.39Å; F35-P52 HydrophobicContact CE1-CB 4.03Å; F35-P52 HydrophobicContact CE1-CG 4.41Å; F35-P52 HydrophobicContact CZ-CB 4.26Å; F35-I308 HydrophobicContact CD2-CD1 4.41Å; F35-I308 HydrophobicContact CE2-CD1 3.89Å; F35-L321 HydrophobicContact CB-CD1 3.85Å; F35-L321 HydrophobicContact CD1-CB 3.89Å; F35-L321 HydrophobicContact CD1-CD1 4.14Å; F35-L321 HydrophobicContact CD1-CD2 4.18Å; F35-L321 HydrophobicContact CD1-CG 4.29Å; F35-L321 HydrophobicContact CD2-CD1 4.34Å; F35-L321 HydrophobicContact CE1-CB 3.89Å; F35-L321 HydrophobicContact CG-CB 4.36Å; F35-L321 HydrophobicContact CG-CD1 3.85Å; F35-L321 HydrophobicContact CG-CG 4.5Å; F35-L321 HydrophobicContact CZ-CB 4.38Å; F35-S322 WeakPolarHBondContact CE1-O 3.49Å; F35-F323 HydrophobicContact CE2-CD2 4.36Å; F35-F323 HydrophobicContact CE2-CE2 4.2Å; F35-F323 HydrophobicContact CE2-CZ 4.5Å; F35-F323 AromaticContact CZ-CD2 3.98Å; F35-F323 HydrophobicContact CZ-CD2 3.98Å; F35-F323 HydrophobicContact CZ-CE2 4.29Å; F35-F323 HydrophobicContact CZ-CG 4.23Å
36S94.1Very high91.9Very high18 Ų1835 Ų3513%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-88.8103.2171.5177.90000109.7A38 A39 A40S36-A38 VanDerWaalsContact C-N 3.32Å; S36-A39 PolarHBondContact O-N 3.43Å; S36-A39 WeakPolarHBondContact OG-CB 3.49Å; S36-A39 PolarHBondContact OG-N 3.34Å; S36-A40 WeakPolarHBondContact O-CB 3.43Å; S36-A40 PolarHBondContact O-N 2.87Å
37L91.9Very high91.4Very high0 Ų038.5 Ų38.50%024%0.239CC..Hα-helixtrans-67.6-36.2175.8-59.3172.9000111.1F16 R21 L23 F35 A39 A40 L41 L321F16-L37 HydrophobicContact CD1-CD1 3.63Å; F16-L37 HydrophobicContact CE1-CD1 3.46Å; F16-L37 VanDerWaalsContact CE1-CD1 3.46Å; R21-L37 WeakPolarHBondContact O-CA 3.37Å; R21-L37 WeakPolarHBondContact O-CB 3.47Å; R21-L37 PolarHBondContact O-N 2.96Å; L23-L37 HydrophobicContact CB-CD1 4.15Å; L23-L37 HydrophobicContact CB-CD2 4.1Å; L23-L37 HydrophobicContact CB-CG 4.14Å; F35-L37 PolarHBondContact O-N 3.32Å; L37-A39 PolarHBondContact O-N 3.18Å; L37-A40 PolarHBondContact O-N 2.9Å; L37-L41 HydrophobicContact CB-CD1 4.24Å; L37-L41 VanDerWaalsContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CB 3.29Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.15Å; L37-L41 PolarHBondContact O-N 3.34Å; L37-L321 HydrophobicContact CD2-CD1 4.17Å
38A89.5Confident91Very high36 Ų3641.9 Ų41.930%0.29827%0.268SS..Hα-helixtrans-59.6-37.8175.900000111.8R21 S36 S42R21-A38 HydrophobicContact CB-CB 4.34Å; R21-A38 PolarHBondContact O-N 3.4Å; S36-A38 VanDerWaalsContact C-N 3.32Å; A38-S42 PolarHBondContact O-N 3.46Å
39A90.1Very high90.8Very high29 Ų2942.7 Ų42.724%0.2427%0.272CS..Hα-helixtrans-76.9-38.417600000112.5S36 L37 A45 N49S36-A39 PolarHBondContact O-N 3.43Å; S36-A39 WeakPolarHBondContact OG-CB 3.49Å; S36-A39 PolarHBondContact OG-N 3.34Å; L37-A39 PolarHBondContact O-N 3.18Å; A39-A45 WeakPolarHBondContact O-CB 3.37Å; A39-N49 HydrophobicContact CB-CB 4.37Å
40A90.6Very high90.8Very high6 Ų641.5 Ų41.55%0.0527%0.269CS..Hα-helixtrans-73.6-28.1-178.500000113.7S36 L37 A45 F319 L321S36-A40 WeakPolarHBondContact O-CB 3.43Å; S36-A40 PolarHBondContact O-N 2.87Å; L37-A40 PolarHBondContact O-N 2.9Å; A40-A45 WeakPolarHBondContact O-CB 3.21Å; A40-F319 HydrophobicContact CB-CE2 4Å; A40-F319 HydrophobicContact CB-CZ 4.11Å; A40-L321 HydrophobicContact CB-CD2 3.96Å
41L89.4Confident90.8Very high47 Ų4747.9 Ų47.925%0.24630%0.297CS..SBendtrans-92.6-4.4178.3-66.2167.3000113.3L37 H296 V298 T312 F319L37-L41 HydrophobicContact CB-CD1 4.24Å; L37-L41 VanDerWaalsContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CB 3.29Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.15Å; L37-L41 PolarHBondContact O-N 3.34Å; L41-H296 HydrophobicContact CD1-CB 4.18Å; L41-V298 HydrophobicContact CD1-CG1 3.85Å; L41-V298 HydrophobicContact CD2-CG1 4Å; L41-T312 HydrophobicContact CD2-CG2 3.72Å; L41-F319 HydrophobicContact CD2-CE1 3.7Å; L41-F319 HydrophobicContact CD2-CZ 3.83Å; L41-F319 HydrophobicContact CG-CZ 4.38Å
42S89.3Confident90.7Very high47 Ų4747.4 Ų47.433%0.32930%0.297SS..SBendtrans-62.8144.8178-175.60000111A38 D44 A45A38-S42 PolarHBondContact O-N 3.46Å; S42-D44 PolarHBondContact O-N 3.29Å; S42-A45 WeakPolarHBondContact O-CB 3.36Å; S42-A45 PolarHBondContact O-N 3.33Å
43P84.6Confident90.6Very high130 Ų13050.6 Ų50.684%0.84432%0.317SS*.THydrogen-bonded Turntrans-55.8-31.7173.9-24.333.8000113.4A45P43-A45 VanDerWaalsContact C-N 3.3Å; P43-A45 PolarHBondContact O-N 2.95Å
44D86.6Confident90.5Very high142 Ų14251.8 Ų51.876%0.75932%0.323SS*.THydrogen-bonded Turntrans-92.117.2-179.6-57.9-40.5000113S42 T46S42-D44 PolarHBondContact O-N 3.29Å; D44-T46 PolarHBondContact O-N 2.77Å
45A86.8Confident90.4Very high38 Ų3854.2 Ų54.231%0.31434%0.338SS..  trans-64.7131.5-176.600000112A39 A40 S42 P43A39-A45 WeakPolarHBondContact O-CB 3.37Å; A40-A45 WeakPolarHBondContact O-CB 3.21Å; S42-A45 WeakPolarHBondContact O-CB 3.36Å; S42-A45 PolarHBondContact O-N 3.33Å; P43-A45 VanDerWaalsContact C-N 3.3Å; P43-A45 PolarHBondContact O-N 2.95Å
46T88.1Confident90.3Very high79 Ų7955 Ų5549%0.48534%0.341SS..  trans-105.8170.317369.70000111.1D44 A48 N49D44-T46 PolarHBondContact O-N 2.77Å; T46-A48 PolarHBondContact O-N 3.03Å; T46-A48 VanDerWaalsContact O-N 3.1Å; T46-A48 PolarHBondContact OG1-N 3.08Å; T46-N49 PolarHBondContact N-OD1 2.86Å; T46-N49 WeakPolarHBondContact O-CB 3.49Å; T46-N49 PolarHBondContact O-N 2.8Å; T46-N49 PolarHBondContact O-OD1 2.61Å; T46-N49 PolarHBondContact OG1-OD1 3.29Å
47A86Confident90.3Very high74 Ų7458.6 Ų58.661%0.61236%0.363SS*.G310 helixtrans-58.1-23.4174.200000113.4N49 Q50A47-N49 VanDerWaalsContact C-N 3.31Å; A47-Q50 PolarHBondContact O-N 2.81Å
48A87.6Confident90.4Very high72 Ų7259.2 Ų59.260%0.59537%0.368SS*.G310 helixtrans-70.1-28.8174.600000112.5T46 Q50 K51T46-A48 PolarHBondContact O-N 3.03Å; T46-A48 VanDerWaalsContact O-N 3.1Å; T46-A48 PolarHBondContact OG1-N 3.08Å; A48-Q50 PolarHBondContact O-N 2.81Å; A48-K51 PolarHBondContact O-N 3.24Å
49N89.6Confident90.5Very high54 Ų5457.8 Ų57.829%0.28936%0.355SS..G310 helixtrans-74-13.5178-58.391.2000112.9A39 T46 A47 K51A39-N49 HydrophobicContact CB-CB 4.37Å; T46-N49 PolarHBondContact N-OD1 2.86Å; T46-N49 WeakPolarHBondContact O-CB 3.49Å; T46-N49 PolarHBondContact O-N 2.8Å; T46-N49 PolarHBondContact O-OD1 2.61Å; T46-N49 PolarHBondContact OG1-OD1 3.29Å; A47-N49 VanDerWaalsContact C-N 3.31Å; N49-K51 VanDerWaalsContact C-N 3.32Å
50Q90.6Very high90.4Very high56 Ų5665.6 Ų65.626%0.26239%0.386SS..G310 helixtrans-88.7-0.2177.2-62.7174-3.800113.2A47 A48 F319 L321 S322A47-Q50 PolarHBondContact O-N 2.81Å; A48-Q50 PolarHBondContact O-N 2.81Å; Q50-F319 HydrophobicContact CG-CD2 4.33Å; Q50-L321 HydrophobicContact CB-CD2 4.3Å; Q50-L321 WeakPolarHBondContact O-CA 3.44Å; Q50-S322 PolarHBondContact O-N 3.44Å
51K92.6Very high90.4Very high133 Ų13365.7 Ų65.758%0.57839%0.388SS*.SBendtrans-93.8159176-69.5-168.1175.8-170.80111.5A48 N49A48-K51 PolarHBondContact O-N 3.24Å; N49-K51 VanDerWaalsContact C-N 3.32Å
52P93.1Very high90.7Very high29 Ų2965.3 Ų65.319%0.18839%0.388CS..  trans-65.3140.1177.327.5-35.7000111.6A33 L34 F35 T55 S322 F323A33-P52 HydrophobicContact CB-CB 4.01Å; L34-P52 CarbonylContact O-C 3.48Å; L34-P52 WeakPolarHBondContact O-CA 3.45Å; F35-P52 HydrophobicContact CD1-CB 4.39Å; F35-P52 HydrophobicContact CE1-CB 4.03Å; F35-P52 HydrophobicContact CE1-CG 4.41Å; F35-P52 HydrophobicContact CZ-CB 4.26Å; P52-T55 WeakPolarHBondContact CB-OG1 3.37Å; P52-T55 WeakPolarHBondContact CG-OG1 3.45Å; P52-S322 VanDerWaalsContact CD-O 3.27Å; P52-S322 WeakPolarHBondContact CD-O 3.49Å; P52-F323 WeakPolarHBondContact CD-OXT 3.41Å; P52-F323 WeakPolarHBondContact CG-OXT 3.37Å
53V93.6Very high91Very high67 Ų6763 Ų6341%0.40637%0.373SS..SBendtrans-74.6-33.2172.2179.70000110.7L34L34-V53 PolarHBondContact O-N 2.75Å
54L94.1Very high91.5Very high24 Ų2458.9 Ų58.913%0.12634%0.342CS..EExtended strand (participates in β ladder)trans-147.2135.2178.817869.5000108.6A33 L34 F56 L89 K92 V94A33-L54 WeakPolarHBondContact CA-O 3.43Å; L34-L54 HydrophobicContact CB-CB 4.32Å; L34-L54 HydrophobicContact CD1-CB 4.3Å; L34-L54 HydrophobicContact CD1-CD2 3.89Å; L34-L54 PolarHBondContact N-O 2.84Å; L54-F56 HydrophobicContact CD2-CD1 3.94Å; L54-F56 HydrophobicContact CD2-CE1 4.27Å; L54-F56 HydrophobicContact CG-CD1 4.07Å; L54-L89 HydrophobicContact CD2-CD2 4.23Å; L54-L89 WeakPolarHBondContact CD2-O 3.27Å; L54-K92 HydrophobicContact CD1-CB 4.1Å; L54-K92 HydrophobicContact CD1-CG 4.29Å; L54-V94 HydrophobicContact CD1-CG2 4.19Å; L54-V94 HydrophobicContact CD2-CG2 3.89Å; L54-V94 HydrophobicContact CG-CG2 4.46Å
55T94.2Very high91.9Very high56 Ų5652.8 Ų52.834%0.34431%0.31SS..EExtended strand (participates in β ladder)trans-129.3134.5168-54.80000107.7E31 I32 P52E31-T55 HydrophobicContact CB-CG2 4.22Å; E31-T55 WeakPolarHBondContact OE2-CG2 3.25Å; I32-T55 WeakPolarHBondContact O-CA 3.31Å; P52-T55 WeakPolarHBondContact CB-OG1 3.37Å; P52-T55 WeakPolarHBondContact CG-OG1 3.45Å
56F94.6Very high92.4Very high17 Ų1751.3 Ų51.38%0.07530%0.297CS..EExtended strand (participates in β ladder)trans-148.7152.8178.166.5-85.6000111.3E31 I32 L54 A58 W84 L89 V94E31-F56 CarbonylContact C-O 3.57Å; E31-F56 VanDerWaalsContact CA-O 3.27Å; E31-F56 WeakPolarHBondContact CA-O 3.14Å; I32-F56 HydrophobicContact CB-CE1 3.94Å; I32-F56 HydrophobicContact CB-CE2 4.28Å; I32-F56 HydrophobicContact CB-CZ 3.81Å; I32-F56 HydrophobicContact CD1-CE2 4.25Å; I32-F56 HydrophobicContact CD1-CZ 4.04Å; I32-F56 HydrophobicContact CG1-CZ 4.45Å; I32-F56 HydrophobicContact CG2-CE1 4.04Å; I32-F56 HydrophobicContact CG2-CZ 4.08Å; I32-F56 PolarHBondContact N-O 3.11Å; I32-F56 PolarHBondContact O-N 3.27Å; I32-F56 VanDerWaalsContact O-N 3.09Å; L54-F56 HydrophobicContact CD2-CD1 3.94Å; L54-F56 HydrophobicContact CD2-CE1 4.27Å; L54-F56 HydrophobicContact CG-CD1 4.07Å; F56-A58 HydrophobicContact CD2-CB 4.28Å; F56-A58 HydrophobicContact CE2-CB 3.84Å; F56-A58 PolarHBondContact O-N 2.64Å; F56-W84 HydrophobicContact CD2-CH2 4.32Å; F56-W84 HydrophobicContact CD2-CZ3 4.26Å; F56-W84 AromaticContact CE2-CD2 3.96Å; F56-W84 HydrophobicContact CE2-CD2 3.96Å; F56-W84 AromaticContact CE2-CE3 3.79Å; F56-W84 HydrophobicContact CE2-CE3 3.79Å; F56-W84 AromaticContact CE2-CH2 3.75Å; F56-W84 HydrophobicContact CE2-CH2 3.75Å; F56-W84 AromaticContact CE2-CZ2 3.93Å; F56-W84 HydrophobicContact CE2-CZ2 3.93Å; F56-W84 AromaticContact CE2-CZ3 3.68Å; F56-W84 HydrophobicContact CE2-CZ3 3.68Å; F56-W84 HydrophobicContact CZ-CD2 4.14Å; F56-W84 HydrophobicContact CZ-CE3 4.18Å; F56-W84 HydrophobicContact CZ-CZ3 4.5Å; F56-L89 HydrophobicContact CD1-CD2 4.44Å; F56-L89 HydrophobicContact CE1-CD2 3.61Å; F56-L89 HydrophobicContact CZ-CD2 3.75Å; F56-V94 HydrophobicContact CB-CB 4.41Å; F56-V94 HydrophobicContact CB-CG1 3.82Å; F56-V94 HydrophobicContact CB-CG2 3.85Å; F56-V94 HydrophobicContact CD1-CG1 4.27Å; F56-V94 HydrophobicContact CD1-CG2 3.99Å; F56-V94 HydrophobicContact CD2-CG1 3.29Å; F56-V94 HydrophobicContact CD2-CG2 4.45Å; F56-V94 HydrophobicContact CE2-CG1 3.84Å; F56-V94 HydrophobicContact CG-CB 4.36Å; F56-V94 HydrophobicContact CG-CG1 3.53Å; F56-V94 HydrophobicContact CG-CG2 3.85Å
57T94.2Very high92.8Very high94 Ų9449.4 Ų49.458%0.57728%0.283SS*.EExtended strand (participates in β ladder)trans-80117.5174.1-47.30000109.3H59T57-H59 WeakPolarHBondContact CG2-O 3.43Å
58A92.6Very high93.1Very high13 Ų1347.5 Ų47.511%0.10727%0.266CS..  trans-98-34.3-177.700000112.4G30 I32 F56 W84G30-A58 PolarHBondContact O-N 3.1Å; I32-A58 HydrophobicContact CD1-CB 3.39Å; I32-A58 HydrophobicContact CG1-CB 3.68Å; F56-A58 HydrophobicContact CD2-CB 4.28Å; F56-A58 HydrophobicContact CE2-CB 3.84Å; F56-A58 PolarHBondContact O-N 2.64Å; A58-W84 HydrophobicContact CB-CH2 4.23Å; A58-W84 HydrophobicContact CB-CZ2 3.63Å
59H92.4Very high93.3Very high6 Ų645.7 Ų45.73%0.02825%0.247CC..  trans-142159.6-177.7-61.4-72.7000110.3G30 T57 G61 S75 E80G30-H59 WeakPolarHBondContact CA-O 3.04Å; G30-H59 PolarHBondContact O-N 3.1Å; T57-H59 WeakPolarHBondContact CG2-O 3.43Å; H59-G61 PolarHBondContact O-N 2.76Å; H59-S75 WeakPolarHBondContact NE2-CB 3.37Å; H59-S75 PolarHBondContact NE2-OG 2.85Å; H59-E80 IonicContact CE1-OE1 3.96Å; H59-E80 IonicContact ND1-OE1 2.8Å; H59-E80 PolarHBondContact ND1-OE1 3.42Å
60E89Confident93.3Very high193 Ų19350 Ų5090%0.90227%0.27SS*.SBendtrans-75-10.4175.4-66.2-169.4161.800113.6
61G90.5Very high93.3Very high9 Ų950.4 Ų50.49%0.09328%0.279CS..SBendtrans-135.6-175.317900000112.3G30 H59G30-G61 WeakPolarHBondContact CA-O 3.15Å; G30-G61 PolarHBondContact N-O 2.79Å; H59-G61 PolarHBondContact O-N 2.76Å
62P94Very high93.4Very high38 Ų3844.9 Ų44.925%0.24726%0.257CS..  trans-53.1143.9-175-24.932.3000114.1F12 N28 F64 G77F12-P62 HydrophobicContact CD2-CB 4.12Å; F12-P62 HydrophobicContact CE2-CB 4.05Å; N28-P62 WeakPolarHBondContact O-CG 3.4Å; P62-F64 HydrophobicContact CB-CD1 4.28Å; P62-F64 HydrophobicContact CB-CD2 4.36Å; P62-F64 HydrophobicContact CB-CE1 3.81Å; P62-F64 HydrophobicContact CB-CE2 3.89Å; P62-F64 HydrophobicContact CB-CZ 3.6Å; P62-F64 HydrophobicContact CG-CE1 4.35Å; P62-F64 HydrophobicContact CG-CE2 4.27Å; P62-F64 HydrophobicContact CG-CZ 3.83Å; P62-F64 PolarHBondContact O-N 2.72Å; P62-G77 WeakPolarHBondContact O-CA 3.4Å
63V96.4Very high93.5Very high0 Ų043.5 Ų43.50%025%0.248CC..  trans-92.189.2172.1-168.70000109.6F12 S13 N27 I32 L66 A76F12-V63 WeakPolarHBondContact CB-O 3.27Å; S13-V63 PolarHBondContact OG-O 2.95Å; N27-V63 PolarHBondContact O-N 2.87Å; I32-V63 HydrophobicContact CG1-CG1 4.39Å; I32-V63 HydrophobicContact CG1-CG2 4.19Å; V63-L66 HydrophobicContact CG1-CD2 3.96Å; V63-L66 HydrophobicContact CG1-CG 3.96Å; V63-A76 CarbonylContact C-O 3.58Å
64F95.4Very high93.7Very high43 Ų4340.4 Ų40.419%0.18923%0.229CC..  trans-73.5-30.4-175.9-66.2-64.2000113.8F12 S13 P62 A76 E112 I113F12-F64 HydrophobicContact CD2-CD1 4.46Å; F12-F64 HydrophobicContact CE2-CE1 4.4Å; F12-F64 HydrophobicContact CG-CD1 4.42Å; S13-F64 WeakPolarHBondContact CB-O 3.23Å; P62-F64 HydrophobicContact CB-CD1 4.28Å; P62-F64 HydrophobicContact CB-CD2 4.36Å; P62-F64 HydrophobicContact CB-CE1 3.81Å; P62-F64 HydrophobicContact CB-CE2 3.89Å; P62-F64 HydrophobicContact CB-CZ 3.6Å; P62-F64 HydrophobicContact CG-CE1 4.35Å; P62-F64 HydrophobicContact CG-CE2 4.27Å; P62-F64 HydrophobicContact CG-CZ 3.83Å; P62-F64 PolarHBondContact O-N 2.72Å; F64-A76 PolarHBondContact N-O 2.89Å; F64-A76 VanDerWaalsContact N-O 3.08Å; F64-E112 HydrophobicContact CD2-CB 4.15Å; F64-E112 HydrophobicContact CE2-CB 3.7Å; F64-E112 HydrophobicContact CE2-CG 4.28Å; F64-E112 WeakPolarHBondContact CE2-OE2 3.3Å; F64-E112 WeakPolarHBondContact CZ-OE2 3.49Å; F64-I113 VanDerWaalsContact CB-O 3.29Å; F64-I113 WeakPolarHBondContact CB-O 3.41Å
65S95.7Very high93.8Very high13 Ų1339.3 Ų39.39%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-138.7136.5-177.4-156.10000112.6A76 M116S65-A76 PolarHBondContact N-O 2.76Å; S65-A76 PolarHBondContact O-N 3.41Å; S65-M116 WeakPolarHBondContact O-CE 3.47Å; S65-M116 PolarHBondContact OG-N 2.79Å
66L96.8Very high93.9Very high8 Ų836.6 Ų36.64%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-131.1136.1173.2-75.1172.5000108.8S13 A24 G26 I32 V63 L73 L74S13-L66 WeakPolarHBondContact OG-CD1 3.38Å; S13-L66 WeakPolarHBondContact OG-CG 3.39Å; A24-L66 HydrophobicContact CB-CD1 4.34Å; G26-L66 VanDerWaalsContact N-CD1 3.29Å; I32-L66 HydrophobicContact CD1-CD2 3.79Å; I32-L66 HydrophobicContact CG1-CD2 4.35Å; V63-L66 HydrophobicContact CG1-CD2 3.96Å; V63-L66 HydrophobicContact CG1-CG 3.96Å; L66-L73 HydrophobicContact CD2-CD1 4.14Å; L66-L73 HydrophobicContact CD2-CD2 4.4Å; L66-L73 HydrophobicContact CD2-CG 4.32Å; L66-L74 WeakPolarHBondContact CA-O 3.37Å
67L95.3Very high93.6Very high39 Ų3935.8 Ų35.820%0.20420%0.203CC..EExtended strand (participates in β ladder)trans-146.3139.3-178.6-169.966.5000110.2L74 M116 I118 L125L67-L74 HydrophobicContact CB-CB 4.47Å; L67-L74 PolarHBondContact N-O 2.98Å; L67-L74 PolarHBondContact O-N 3.23Å; L67-M116 HydrophobicContact CB-CE 4.25Å; L67-M116 HydrophobicContact CD2-CB 4.38Å; L67-I118 HydrophobicContact CD2-CB 4Å; L67-I118 HydrophobicContact CD2-CD1 3.28Å; L67-I118 HydrophobicContact CD2-CG1 3.33Å; L67-I118 HydrophobicContact CG-CD1 3.61Å; L67-I118 HydrophobicContact CG-CG1 4.22Å; L67-L125 HydrophobicContact CD2-CD1 3.93Å
68S93.9Very high93.3Very high34 Ų3434.8 Ų34.824%0.23819%0.194CC..EExtended strand (participates in β ladder)trans-110.4135.3-179.354.10000110.9S15 F16S15-S68 VanDerWaalsContact OG-CB 3.29Å; S15-S68 WeakPolarHBondContact OG-CB 3.46Å; S15-S68 PolarHBondContact OG-N 3.48Å; S15-S68 VanDerWaalsContact OG-N 3.1Å; S15-S68 PolarHBondContact OG-OG 3.36Å; S15-S68 VanDerWaalsContact OG-OG 3.1Å; F16-S68 WeakPolarHBondContact O-CB 3.32Å; F16-S68 PolarHBondContact O-OG 2.79Å
69T91.5Very high93Very high33 Ų3334.3 Ų34.320%0.20219%0.19CC..  trans-101.4179.1162.164.20000108.5P18 S71 V72 L74 I118P18-T69 WeakPolarHBondContact CG-O 3.47Å; T69-S71 PolarHBondContact O-N 3.08Å; T69-V72 PolarHBondContact N-O 2.81Å; T69-V72 WeakPolarHBondContact OG1-CA 3.27Å; T69-V72 WeakPolarHBondContact OG1-CB 3.47Å; T69-V72 PolarHBondContact OG1-N 2.9Å; T69-V72 PolarHBondContact OG1-O 3.31Å; T69-L74 HydrophobicContact CG2-CD1 4.38Å; T69-I118 HydrophobicContact CG2-CD1 3.49Å; T69-I118 VanDerWaalsContact CG2-CD1 3.49Å
70D88.3Confident93Very high144 Ų14437 Ų3777%0.7720%0.203SC*.SBendtrans-58.4-21.7-179.4-65.3-21.1000115.1P18P18-D70 VanDerWaalsContact CG-O 3.3Å; P18-D70 WeakPolarHBondContact CG-O 3.49Å
71S90.8Very high93.3Very high66 Ų6627.9 Ų27.946%0.46216%0.16SC..SBendtrans-135.4-19.7-179.363.60000114.7T69 W86T69-S71 PolarHBondContact O-N 3.08Å; S71-W86 PolarHBondContact O-N 3.3Å
72V94.3Very high93.5Very high17 Ų1727.5 Ų27.510%0.10316%0.156CC..EExtended strand (participates in β ladder)trans-120.6137.9-173175.20000111.2T69 L74 A83 W84 L97T69-V72 PolarHBondContact N-O 2.81Å; T69-V72 WeakPolarHBondContact OG1-CA 3.27Å; T69-V72 WeakPolarHBondContact OG1-CB 3.47Å; T69-V72 PolarHBondContact OG1-N 2.9Å; T69-V72 PolarHBondContact OG1-O 3.31Å; V72-L74 HydrophobicContact CG1-CD2 3.85Å; V72-L74 HydrophobicContact CG1-CG 4.4Å; V72-A83 HydrophobicContact CG1-CB 3.61Å; V72-W84 CarbonylContact C-O 3.38Å; V72-W84 VanDerWaalsContact CA-O 3.29Å; V72-W84 WeakPolarHBondContact CA-O 3.29Å; V72-L97 HydrophobicContact CG2-CD2 4.29Å
73L96.3Very high93.6Very high0 Ų025.7 Ų25.70%015%0.145CC..EExtended strand (participates in β ladder)trans-91123.9161.6176.866.9000108.2A24 I32 L66 W84 W86 L89A24-L73 HydrophobicContact CB-CD1 4.07Å; A24-L73 HydrophobicContact CB-CD2 3.69Å; I32-L73 HydrophobicContact CG2-CD2 4.36Å; L66-L73 HydrophobicContact CD2-CD1 4.14Å; L66-L73 HydrophobicContact CD2-CD2 4.4Å; L66-L73 HydrophobicContact CD2-CG 4.32Å; L73-W84 HydrophobicContact CB-CB 4.31Å; L73-W84 PolarHBondContact N-O 2.9Å; L73-W84 VanDerWaalsContact O-CD1 3.25Å; L73-W84 PolarHBondContact O-N 2.88Å; L73-W86 HydrophobicContact CB-CD2 4.47Å; L73-W86 HydrophobicContact CB-CZ2 3.99Å; L73-W86 HydrophobicContact CD1-CH2 4.49Å; L73-W86 HydrophobicContact CD1-CZ2 3.86Å; L73-W86 HydrophobicContact CD2-CH2 4.44Å; L73-W86 HydrophobicContact CD2-CZ2 4.38Å; L73-W86 HydrophobicContact CG-CZ2 4.3Å; L73-L89 HydrophobicContact CB-CD1 4.33Å; L73-L89 HydrophobicContact CD2-CD1 4.01Å
74L96.7Very high93.6Very high2 Ų226.2 Ų26.21%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-97.2131.5172-59.8174.8000108.6L66 L67 T69 V72 S82 A83 W98 M116 I118 L125 L139L66-L74 WeakPolarHBondContact CA-O 3.37Å; L67-L74 HydrophobicContact CB-CB 4.47Å; L67-L74 PolarHBondContact N-O 2.98Å; L67-L74 PolarHBondContact O-N 3.23Å; T69-L74 HydrophobicContact CG2-CD1 4.38Å; V72-L74 HydrophobicContact CG1-CD2 3.85Å; V72-L74 HydrophobicContact CG1-CG 4.4Å; L74-S82 WeakPolarHBondContact CA-O 3.41Å; L74-A83 HydrophobicContact CD2-CB 3.87Å; L74-W98 HydrophobicContact CD2-CH2 3.73Å; L74-W98 HydrophobicContact CD2-CZ2 3.86Å; L74-M116 HydrophobicContact CB-CE 4.09Å; L74-I118 HydrophobicContact CD1-CD1 4.18Å; L74-I118 HydrophobicContact CD1-CG1 4.44Å; L74-L125 HydrophobicContact CD1-CD1 3.82Å; L74-L125 HydrophobicContact CD1-CD2 4.06Å; L74-L139 HydrophobicContact CD1-CD2 4.37Å
75S97Very high93.6Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-122.1142.2172.468.60000110.6H59 V81 S82 W84H59-S75 WeakPolarHBondContact NE2-CB 3.37Å; H59-S75 PolarHBondContact NE2-OG 2.85Å; S75-V81 CarbonylContact O-C 3.55Å; S75-V81 VanDerWaalsContact O-CA 3.32Å; S75-V81 WeakPolarHBondContact O-CA 3.49Å; S75-S82 PolarHBondContact N-O 3.48Å; S75-S82 PolarHBondContact O-N 3.04Å; S75-W84 PolarHBondContact OG-NE1 2.86Å
76A95.5Very high93.5Very high0 Ų026.4 Ų26.40%015%0.148CC..EExtended strand (participates in β ladder)trans-131.7140.7172.800000110.7V63 F64 S65 E80 V81 I113 M116V63-A76 CarbonylContact C-O 3.58Å; F64-A76 PolarHBondContact N-O 2.89Å; F64-A76 VanDerWaalsContact N-O 3.08Å; S65-A76 PolarHBondContact N-O 2.76Å; S65-A76 PolarHBondContact O-N 3.41Å; A76-E80 WeakPolarHBondContact CA-O 3.32Å; A76-V81 HydrophobicContact CB-CG2 4.2Å; A76-I113 HydrophobicContact CB-CB 3.92Å; A76-I113 HydrophobicContact CB-CD1 4.49Å; A76-I113 HydrophobicContact CB-CG2 3.47Å; A76-I113 VanDerWaalsContact CB-CG2 3.47Å; A76-M116 HydrophobicContact CB-CE 3.77Å; A76-M116 HydrophobicContact CB-CG 4.05Å; A76-M116 HydrophobicContact CB-SD 3.57Å; A76-M116 VanDerWaalsContact CB-SD 3.57Å
77G89.3Confident93.3Very high0 Ų029.7 Ų29.70%017%0.168CC..  trans-147.8-114.5179.100000111.1P62 G79 E80 I113P62-G77 WeakPolarHBondContact O-CA 3.4Å; G77-G79 PolarHBondContact O-N 2.94Å; G77-E80 PolarHBondContact N-O 2.99Å; G77-I113 PolarHBondContact O-N 2.83Å
78N86.8Confident93.2Very high73 Ų7330.5 Ų30.539%0.3917%0.171SC..SBendtrans-76.363.1-172.8-162.826000113.5E80N78-E80 PolarHBondContact O-N 3.4Å
79G87.3Confident93.1Very high2 Ų229 Ų292%0.02116%0.16CC..SBendtrans79.713.4173.300000116.3G77 Y104 P111G77-G79 PolarHBondContact O-N 2.94Å; G79-Y104 VanDerWaalsContact C-OH 3.27Å; G79-Y104 WeakPolarHBondContact CA-OH 3.12Å; G79-Y104 WeakPolarHBondContact O-CE2 3.35Å; G79-Y104 PolarHBondContact O-OH 3.47Å; G79-P111 WeakPolarHBondContact CA-O 3.45Å; G79-P111 PolarHBondContact N-O 2.9Å
80E92.4Very high93.1Very high64 Ų6431.3 Ų31.330%0.29917%0.17SC..  trans-135.6151.2175.659.9175.9-161.900111.1H59 A76 G77 N78 T99H59-E80 IonicContact CE1-OE1 3.96Å; H59-E80 IonicContact ND1-OE1 2.8Å; H59-E80 PolarHBondContact ND1-OE1 3.42Å; A76-E80 WeakPolarHBondContact CA-O 3.32Å; G77-E80 PolarHBondContact N-O 2.99Å; N78-E80 PolarHBondContact O-N 3.4Å; E80-T99 HydrophobicContact CB-CG2 3.96Å; E80-T99 HydrophobicContact CG-CG2 4.28Å; E80-T99 VanDerWaalsContact OE2-CG2 3.27Å; E80-T99 WeakPolarHBondContact OE2-CG2 3.47Å
81V94.9Very high93.2Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-111.3124.3171.6-1760000108.1S75 A76 W98 T99 K100 I113 M116 L125 I127S75-V81 CarbonylContact O-C 3.55Å; S75-V81 VanDerWaalsContact O-CA 3.32Å; S75-V81 WeakPolarHBondContact O-CA 3.49Å; A76-V81 HydrophobicContact CB-CG2 4.2Å; V81-W98 HydrophobicContact CB-CZ3 4.36Å; V81-W98 HydrophobicContact CG1-CH2 4.23Å; V81-W98 HydrophobicContact CG1-CZ3 4.04Å; V81-W98 WeakPolarHBondContact O-CZ3 3.35Å; V81-T99 CarbonylContact O-C 3.54Å; V81-T99 WeakPolarHBondContact O-CA 3.34Å; V81-K100 PolarHBondContact N-O 3.36Å; V81-K100 PolarHBondContact O-N 3.13Å; V81-I113 HydrophobicContact CG2-CD1 3.71Å; V81-M116 HydrophobicContact CG1-SD 3.9Å; V81-M116 HydrophobicContact CG2-SD 4.18Å; V81-L125 HydrophobicContact CG1-CD2 4.02Å; V81-I127 HydrophobicContact CG2-CD1 3.81Å; V81-I127 HydrophobicContact CG2-CG1 4.41Å
82S95.5Very high93.2Very high2 Ų234.5 Ų34.51%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-113.4139.2177.1-70.70000110.3L74 S75 T99L74-S82 WeakPolarHBondContact CA-O 3.41Å; S75-S82 PolarHBondContact N-O 3.48Å; S75-S82 PolarHBondContact O-N 3.04Å; S82-T99 WeakPolarHBondContact OG-CG2 3.31Å; S82-T99 PolarHBondContact OG-OG1 2.86Å
83A95.4Very high93.1Very high0 Ų036.5 Ų36.50%018%0.179CC..EExtended strand (participates in β ladder)trans-106.7133.1177.100000111.1V72 L74 P96 L97 W98V72-A83 HydrophobicContact CG1-CB 3.61Å; L74-A83 HydrophobicContact CD2-CB 3.87Å; A83-P96 CarbonylContact O-C 3.45Å; A83-P96 WeakPolarHBondContact O-CA 3.47Å; A83-L97 HydrophobicContact CB-CB 4.22Å; A83-L97 PolarHBondContact O-N 3.19Å; A83-W98 HydrophobicContact CB-CD2 3.5Å; A83-W98 VanDerWaalsContact CB-CD2 3.5Å; A83-W98 HydrophobicContact CB-CE3 3.91Å; A83-W98 HydrophobicContact CB-CG 4.03Å; A83-W98 HydrophobicContact CB-CH2 3.97Å; A83-W98 HydrophobicContact CB-CZ2 3.54Å; A83-W98 HydrophobicContact CB-CZ3 4.14Å; A83-W98 PolarHBondContact N-O 2.92Å
84W95.9Very high92.9Very high10 Ų1038.9 Ų38.94%0.03819%0.194CC..EExtended strand (participates in β ladder)trans-126.3129.7-177.6-45.389.1000110.1F56 A58 V72 L73 S75 W86 L89 V94 P96F56-W84 HydrophobicContact CD2-CH2 4.32Å; F56-W84 HydrophobicContact CD2-CZ3 4.26Å; F56-W84 AromaticContact CE2-CD2 3.96Å; F56-W84 HydrophobicContact CE2-CD2 3.96Å; F56-W84 AromaticContact CE2-CE3 3.79Å; F56-W84 HydrophobicContact CE2-CE3 3.79Å; F56-W84 AromaticContact CE2-CH2 3.75Å; F56-W84 HydrophobicContact CE2-CH2 3.75Å; F56-W84 AromaticContact CE2-CZ2 3.93Å; F56-W84 HydrophobicContact CE2-CZ2 3.93Å; F56-W84 AromaticContact CE2-CZ3 3.68Å; F56-W84 HydrophobicContact CE2-CZ3 3.68Å; F56-W84 HydrophobicContact CZ-CD2 4.14Å; F56-W84 HydrophobicContact CZ-CE3 4.18Å; F56-W84 HydrophobicContact CZ-CZ3 4.5Å; A58-W84 HydrophobicContact CB-CH2 4.23Å; A58-W84 HydrophobicContact CB-CZ2 3.63Å; V72-W84 CarbonylContact C-O 3.38Å; V72-W84 VanDerWaalsContact CA-O 3.29Å; V72-W84 WeakPolarHBondContact CA-O 3.29Å; L73-W84 HydrophobicContact CB-CB 4.31Å; L73-W84 PolarHBondContact N-O 2.9Å; L73-W84 VanDerWaalsContact O-CD1 3.25Å; L73-W84 PolarHBondContact O-N 2.88Å; S75-W84 PolarHBondContact OG-NE1 2.86Å; W84-W86 PolarHBondContact O-N 2.87Å; W84-L89 HydrophobicContact CB-CD1 3.69Å; W84-L89 HydrophobicContact CB-CD2 4.32Å; W84-L89 HydrophobicContact CB-CG 4.11Å; W84-V94 HydrophobicContact CE3-CG1 4.36Å; W84-V94 HydrophobicContact CZ3-CG1 3.81Å; W84-P96 HydrophobicContact CE3-CB 4.23Å; W84-P96 HydrophobicContact CH2-CB 4.17Å; W84-P96 HydrophobicContact CZ3-CB 3.98Å; W84-P96 HydrophobicContact CZ3-CG 4.35Å
85N95.3Very high92.7Very high50 Ų5045.9 Ų45.927%0.26722%0.224SC..EExtended strand (participates in β ladder)trans-78.7124.8178.2-173.6-36000110.8T87 E88 L89N85-T87 VanDerWaalsContact C-N 3.29Å; N85-T87 PolarHBondContact O-N 2.81Å; N85-T87 PolarHBondContact OD1-N 2.85Å; N85-T87 PolarHBondContact OD1-OG1 2.96Å; N85-E88 HydrophobicContact CB-CB 4.25Å; N85-E88 HydrophobicContact CB-CG 4.21Å; N85-E88 PolarHBondContact O-N 2.87Å; N85-E88 VanDerWaalsContact O-N 3.17Å; N85-L89 WeakPolarHBondContact O-CB 3.46Å; N85-L89 WeakPolarHBondContact O-CG 3.43Å; N85-L89 PolarHBondContact O-N 2.89Å
86W93.9Very high92.4Very high11 Ų1149 Ų494%0.04224%0.244CC..Hα-helixtrans-56.9-38.9178.9-82.1110.4000113.5F22 A24 L34 S71 L73 W84 E88 L89 I90F22-W86 HydrophobicContact CB-CZ3 4.11Å; A24-W86 HydrophobicContact CB-CH2 3.85Å; L34-W86 HydrophobicContact CD2-CH2 4.19Å; L34-W86 HydrophobicContact CD2-CZ3 3.79Å; S71-W86 PolarHBondContact O-N 3.3Å; L73-W86 HydrophobicContact CB-CD2 4.47Å; L73-W86 HydrophobicContact CB-CZ2 3.99Å; L73-W86 HydrophobicContact CD1-CH2 4.49Å; L73-W86 HydrophobicContact CD1-CZ2 3.86Å; L73-W86 HydrophobicContact CD2-CH2 4.44Å; L73-W86 HydrophobicContact CD2-CZ2 4.38Å; L73-W86 HydrophobicContact CG-CZ2 4.3Å; W84-W86 PolarHBondContact O-N 2.87Å; W86-E88 VanDerWaalsContact C-N 3.3Å; W86-E88 PolarHBondContact O-N 2.89Å; W86-L89 HydrophobicContact CE3-CD1 4.47Å; W86-L89 PolarHBondContact O-N 2.76Å; W86-I90 WeakPolarHBondContact O-CD1 3.38Å; W86-I90 VanDerWaalsContact O-CG1 3.23Å; W86-I90 WeakPolarHBondContact O-CG1 3.31Å; W86-I90 PolarHBondContact O-N 2.82Å
87T92.9Very high92.3Very high77 Ų7754.1 Ų54.147%0.47227%0.271SS..Hα-helixtrans-67.5-34.1-178.964.40000112N85 K91N85-T87 VanDerWaalsContact C-N 3.29Å; N85-T87 PolarHBondContact O-N 2.81Å; N85-T87 PolarHBondContact OD1-N 2.85Å; N85-T87 PolarHBondContact OD1-OG1 2.96Å; T87-K91 WeakPolarHBondContact O-CG 3.47Å; T87-K91 PolarHBondContact O-N 3.14Å
88E93.6Very high92.5Very high55 Ų5557 Ų5726%0.25728%0.282SS..Hα-helixtrans-77.4-40.2177.7-66.1-55.5119.100111N85 W86 I90 K91 K92 N93N85-E88 HydrophobicContact CB-CB 4.25Å; N85-E88 HydrophobicContact CB-CG 4.21Å; N85-E88 PolarHBondContact O-N 2.87Å; N85-E88 VanDerWaalsContact O-N 3.17Å; W86-E88 VanDerWaalsContact C-N 3.3Å; W86-E88 PolarHBondContact O-N 2.89Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 3.49Å; E88-K91 CarbonylContact O-C 3.54Å; E88-K91 WeakPolarHBondContact O-CA 3.4Å; E88-K91 PolarHBondContact O-N 2.87Å; E88-K91 VanDerWaalsContact O-N 3.09Å; E88-K91 IonicContact OE1-NZ 2.92Å; E88-K91 PolarHBondContact OE1-NZ 2.88Å; E88-K92 PolarHBondContact O-N 3.47Å; E88-N93 CarbonylContact C-O 3.51Å; E88-N93 HydrophobicContact CB-CB 4.23Å; E88-N93 PolarHBondContact O-N 2.95Å; E88-N93 PolarHBondContact OE2-ND2 2.8Å
89L92.3Very high92.9Very high3 Ų356.4 Ų56.42%0.01628%0.281CS..Hα-helixtrans-57.7-43.9172.7-76-178.4000112.5L34 L54 F56 L73 W84 N85 W86 K91 K92L34-L89 HydrophobicContact CD1-CB 3.75Å; L34-L89 HydrophobicContact CD1-CD1 4.25Å; L34-L89 HydrophobicContact CD1-CD2 4.43Å; L34-L89 HydrophobicContact CD1-CG 4.38Å; L54-L89 HydrophobicContact CD2-CD2 4.23Å; L54-L89 WeakPolarHBondContact CD2-O 3.27Å; F56-L89 HydrophobicContact CD1-CD2 4.44Å; F56-L89 HydrophobicContact CE1-CD2 3.61Å; F56-L89 HydrophobicContact CZ-CD2 3.75Å; L73-L89 HydrophobicContact CB-CD1 4.33Å; L73-L89 HydrophobicContact CD2-CD1 4.01Å; W84-L89 HydrophobicContact CB-CD1 3.69Å; W84-L89 HydrophobicContact CB-CD2 4.32Å; W84-L89 HydrophobicContact CB-CG 4.11Å; N85-L89 WeakPolarHBondContact O-CB 3.46Å; N85-L89 WeakPolarHBondContact O-CG 3.43Å; N85-L89 PolarHBondContact O-N 2.89Å; W86-L89 HydrophobicContact CE3-CD1 4.47Å; W86-L89 PolarHBondContact O-N 2.76Å; L89-K91 VanDerWaalsContact C-N 3.26Å; L89-K91 PolarHBondContact O-N 3.44Å; L89-K92 WeakPolarHBondContact O-CA 3.47Å; L89-K92 PolarHBondContact O-N 2.83Å
90I90.3Very high93.2Very high81 Ų8159.9 Ų59.942%0.41530%0.296SS..Hα-helixtrans-63.3-34.2177.2-68.9161.1000111.4F22 W86 E88 K92F22-I90 HydrophobicContact CD2-CD1 4.05Å; F22-I90 HydrophobicContact CD2-CG1 4.24Å; F22-I90 HydrophobicContact CE2-CD1 3.68Å; F22-I90 HydrophobicContact CE2-CG1 3.88Å; F22-I90 HydrophobicContact CZ-CD1 4.3Å; F22-I90 HydrophobicContact CZ-CG1 4.05Å; F22-I90 HydrophobicContact CZ-CG2 4.26Å; W86-I90 WeakPolarHBondContact O-CD1 3.38Å; W86-I90 VanDerWaalsContact O-CG1 3.23Å; W86-I90 WeakPolarHBondContact O-CG1 3.31Å; W86-I90 PolarHBondContact O-N 2.82Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 3.49Å; I90-K92 PolarHBondContact O-N 2.95Å
91K91.6Very high93.1Very high142 Ų14266 Ų6662%0.61732%0.316SS*.THydrogen-bonded Turntrans-784.1174.1-65.8171.5-167.4164.60113.5T87 E88 L89 N93T87-K91 WeakPolarHBondContact O-CG 3.47Å; T87-K91 PolarHBondContact O-N 3.14Å; E88-K91 CarbonylContact O-C 3.54Å; E88-K91 WeakPolarHBondContact O-CA 3.4Å; E88-K91 PolarHBondContact O-N 2.87Å; E88-K91 VanDerWaalsContact O-N 3.09Å; E88-K91 IonicContact OE1-NZ 2.92Å; E88-K91 PolarHBondContact OE1-NZ 2.88Å; L89-K91 VanDerWaalsContact C-N 3.26Å; L89-K91 PolarHBondContact O-N 3.44Å; K91-N93 PolarHBondContact O-N 2.88Å
92K90.8Very high92.8Very high135 Ų13566.1 Ų66.159%0.58732%0.317SS*.THydrogen-bonded Turntrans63.523.3-175-51.2-179176.8-174.60113.7L54 E88 L89 I90L54-K92 HydrophobicContact CD1-CB 4.1Å; L54-K92 HydrophobicContact CD1-CG 4.29Å; E88-K92 PolarHBondContact O-N 3.47Å; L89-K92 WeakPolarHBondContact O-CA 3.47Å; L89-K92 PolarHBondContact O-N 2.83Å; I90-K92 PolarHBondContact O-N 2.95Å
93N91.6Very high92.3Very high59 Ų5972.6 Ų72.632%0.31635%0.352SS..  trans-93.7106.9172.6-17515.5000109.3E88 K91 K95E88-N93 CarbonylContact C-O 3.51Å; E88-N93 HydrophobicContact CB-CB 4.23Å; E88-N93 PolarHBondContact O-N 2.95Å; E88-N93 PolarHBondContact OE2-ND2 2.8Å; K91-N93 PolarHBondContact O-N 2.88Å; N93-K95 PolarHBondContact O-N 3.09Å
94V91.5Very high91.7Very high50 Ų5074.8 Ų74.830%0.30336%0.36SS..  trans-99.487.4-176.6-176.60000108.6L54 F56 W84L54-V94 HydrophobicContact CD1-CG2 4.19Å; L54-V94 HydrophobicContact CD2-CG2 3.89Å; L54-V94 HydrophobicContact CG-CG2 4.46Å; F56-V94 HydrophobicContact CB-CB 4.41Å; F56-V94 HydrophobicContact CB-CG1 3.82Å; F56-V94 HydrophobicContact CB-CG2 3.85Å; F56-V94 HydrophobicContact CD1-CG1 4.27Å; F56-V94 HydrophobicContact CD1-CG2 3.99Å; F56-V94 HydrophobicContact CD2-CG1 3.29Å; F56-V94 HydrophobicContact CD2-CG2 4.45Å; F56-V94 HydrophobicContact CE2-CG1 3.84Å; F56-V94 HydrophobicContact CG-CB 4.36Å; F56-V94 HydrophobicContact CG-CG1 3.53Å; F56-V94 HydrophobicContact CG-CG2 3.85Å; W84-V94 HydrophobicContact CE3-CG1 4.36Å; W84-V94 HydrophobicContact CZ3-CG1 3.81Å
95K91.8Very high90.7Very high150 Ų15082.4 Ų82.465%0.65239%0.393SS*.  trans-132.2125.2170.2-69.9-176.4-179.3-178.60109N93N93-K95 PolarHBondContact O-N 3.09Å
96P92.6Very high89.6Confident64 Ų6482.8 Ų82.842%0.41640%0.4SS..EExtended strand (participates in β ladder)trans-66.2137.4174.228.4-32.8000108.9A83 W84 W98A83-P96 CarbonylContact O-C 3.45Å; A83-P96 WeakPolarHBondContact O-CA 3.47Å; W84-P96 HydrophobicContact CE3-CB 4.23Å; W84-P96 HydrophobicContact CH2-CB 4.17Å; W84-P96 HydrophobicContact CZ3-CB 3.98Å; W84-P96 HydrophobicContact CZ3-CG 4.35Å; P96-W98 VanDerWaalsContact C-N 3.34Å
97L92.6Very high88.3Confident109 Ų10987.8 Ų87.857%0.57144%0.437SS*.EExtended strand (participates in β ladder)trans-67-42.8172.3-176.868.4000110V72 A83V72-L97 HydrophobicContact CG2-CD2 4.29Å; A83-L97 HydrophobicContact CB-CB 4.22Å; A83-L97 PolarHBondContact O-N 3.19Å
98W93.9Very high87.2Confident59 Ų5991.9 Ų91.922%0.22346%0.455CS..EExtended strand (participates in β ladder)trans-159.4159.617349.5-104.6000109.6L74 V81 A83 P96 K100 L137 L139L74-W98 HydrophobicContact CD2-CH2 3.73Å; L74-W98 HydrophobicContact CD2-CZ2 3.86Å; V81-W98 HydrophobicContact CB-CZ3 4.36Å; V81-W98 HydrophobicContact CG1-CH2 4.23Å; V81-W98 HydrophobicContact CG1-CZ3 4.04Å; V81-W98 WeakPolarHBondContact O-CZ3 3.35Å; A83-W98 HydrophobicContact CB-CD2 3.5Å; A83-W98 VanDerWaalsContact CB-CD2 3.5Å; A83-W98 HydrophobicContact CB-CE3 3.91Å; A83-W98 HydrophobicContact CB-CG 4.03Å; A83-W98 HydrophobicContact CB-CH2 3.97Å; A83-W98 HydrophobicContact CB-CZ2 3.54Å; A83-W98 HydrophobicContact CB-CZ3 4.14Å; A83-W98 PolarHBondContact N-O 2.92Å; P96-W98 VanDerWaalsContact C-N 3.34Å; W98-K100 HydrophobicContact CD2-CG 4.21Å; W98-K100 HydrophobicContact CE3-CB 4.08Å; W98-K100 HydrophobicContact CE3-CG 3.48Å; W98-K100 VanDerWaalsContact CE3-CG 3.48Å; W98-K100 HydrophobicContact CZ3-CB 4.04Å; W98-K100 HydrophobicContact CZ3-CG 3.82Å; W98-L137 HydrophobicContact CH2-CD2 3.95Å; W98-L137 HydrophobicContact CZ3-CD2 4.25Å; W98-L139 HydrophobicContact CH2-CD2 4.14Å; W98-L139 HydrophobicContact CZ2-CD2 4Å
99T94.1Very high86.4Confident62 Ų6295.9 Ų95.938%0.3847%0.473SS..EExtended strand (participates in β ladder)trans-129.8129.1169.2-600000107.7E80 V81 S82E80-T99 HydrophobicContact CB-CG2 3.96Å; E80-T99 HydrophobicContact CG-CG2 4.28Å; E80-T99 VanDerWaalsContact OE2-CG2 3.27Å; E80-T99 WeakPolarHBondContact OE2-CG2 3.47Å; V81-T99 CarbonylContact O-C 3.54Å; V81-T99 WeakPolarHBondContact O-CA 3.34Å; S82-T99 WeakPolarHBondContact OG-CG2 3.31Å; S82-T99 PolarHBondContact OG-OG1 2.86Å
100K93.6Very high86Confident74 Ų74100.1 Ų100.132%0.32250%0.495SS..EExtended strand (participates in β ladder)trans-128.4136.3-176.3-64.5-69.5-179.6158.10109.2V81 W98 G142 F144V81-K100 PolarHBondContact N-O 3.36Å; V81-K100 PolarHBondContact O-N 3.13Å; W98-K100 HydrophobicContact CD2-CG 4.21Å; W98-K100 HydrophobicContact CE3-CB 4.08Å; W98-K100 HydrophobicContact CE3-CG 3.48Å; W98-K100 VanDerWaalsContact CE3-CG 3.48Å; W98-K100 HydrophobicContact CZ3-CB 4.04Å; W98-K100 HydrophobicContact CZ3-CG 3.82Å; K100-G142 VanDerWaalsContact CE-O 3.27Å; K100-G142 WeakPolarHBondContact CE-O 3.44Å; K100-G142 PolarHBondContact NZ-O 2.92Å; K100-F144 HydrophobicContact CB-CE2 4.19Å
101R91.3Very high86Confident192 Ų19297.1 Ų97.173%0.72548%0.481SS*.  trans-117.3134176.864.8-176.1-178.4-178.5-0.1109.8F144R101-F144 WeakPolarHBondContact O-CE2 3.49Å
102P88.5Confident86Confident3 Ų393.5 Ų93.52%0.01947%0.466CS..  trans-58.5156.7168.8-19.129.3000111.6Y104 I113 H135 F144P102-Y104 HydrophobicContact CB-CD1 4.33Å; P102-Y104 HydrophobicContact CB-CE1 3.74Å; P102-Y104 WeakPolarHBondContact CD-OH 3.1Å; P102-Y104 HydrophobicContact CG-CE1 3.98Å; P102-Y104 PolarHBondContact O-N 3.45Å; P102-Y104 VanDerWaalsContact O-N 3.16Å; P102-I113 HydrophobicContact CG-CD1 4.44Å; P102-H135 HydrophobicContact CB-CB 4.44Å; P102-F144 VanDerWaalsContact CA-CZ 3.49Å; P102-F144 HydrophobicContact CB-CD1 4.44Å; P102-F144 HydrophobicContact CB-CE1 3.89Å; P102-F144 HydrophobicContact CB-CZ 4.01Å; P102-F144 HydrophobicContact CG-CE1 3.71Å; P102-F144 HydrophobicContact CG-CZ 3.7Å; P102-F144 VanDerWaalsContact N-CZ 3.28Å
103N84.4Confident86.2Confident139 Ų13987 Ų8774%0.74344%0.438SS*.  trans-80.996.2174.2-73.1-22.4000109.6
104Y83.5Confident86.4Confident45 Ų4585.2 Ų85.218%0.17643%0.429CS..  trans-76.5148.8176.5-56.7-54000112.1G79 P102 S106 I110 P111G79-Y104 VanDerWaalsContact C-OH 3.27Å; G79-Y104 WeakPolarHBondContact CA-OH 3.12Å; G79-Y104 WeakPolarHBondContact O-CE2 3.35Å; G79-Y104 PolarHBondContact O-OH 3.47Å; P102-Y104 HydrophobicContact CB-CD1 4.33Å; P102-Y104 HydrophobicContact CB-CE1 3.74Å; P102-Y104 WeakPolarHBondContact CD-OH 3.1Å; P102-Y104 HydrophobicContact CG-CE1 3.98Å; P102-Y104 PolarHBondContact O-N 3.45Å; P102-Y104 VanDerWaalsContact O-N 3.16Å; Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 2.9Å; Y104-I110 HydrophobicContact CD2-CG2 4.43Å; Y104-I110 HydrophobicContact CE2-CG2 3.94Å; Y104-P111 HydrophobicContact CD1-CG 3.37Å; Y104-P111 HydrophobicContact CD2-CG 4.39Å; Y104-P111 HydrophobicContact CE1-CG 3.17Å; Y104-P111 HydrophobicContact CE2-CG 4.24Å; Y104-P111 HydrophobicContact CG-CG 3.98Å
105K73.7Confident86.6Confident170 Ų17083.1 Ų83.174%0.73942%0.416SS*.SBendtrans-68.4-28.8179.3-66.9178.9-177170.20112.8
106S72.4Confident86.8Confident58 Ų5876.5 Ų76.541%0.40639%0.387SS..  trans-125.6143.9-179.2-178.50000110Y104 L108Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 2.9Å; S106-L108 PolarHBondContact OG-N 2.82Å
107S67.1Low86.9Confident117 Ų11774 Ų7482%0.81837%0.372SS*.SBendtrans-89.7-7.3173.461.20000113.4
108L69.6Low86.9Confident162 Ų16270.6 Ų70.685%0.84835%0.354SS*.SBendtrans-87.2-29.5-172.8-67.9169.3000112.9S106S106-L108 PolarHBondContact OG-N 2.82Å
109E76.3Confident86.7Confident139 Ų13968 Ų6865%0.6534%0.344SS*.  trans-128.7111.5178.9-170.3169.6-163.400107.6P111E109-P111 WeakPolarHBondContact O-CD 3.35Å
110I85.6Confident86.1Confident93 Ų9369.1 Ų69.148%0.47735%0.353SS..  trans-87.6110.3174.7-62.4174.1000105.8Y104Y104-I110 HydrophobicContact CD2-CG2 4.43Å; Y104-I110 HydrophobicContact CE2-CG2 3.94Å
111P89.9Confident85.6Confident17 Ų1773.3 Ų73.311%0.1137%0.367CS..  trans-70.1146.3-179.133-38.5000109.9G79 Y104 E109 D131G79-P111 WeakPolarHBondContact CA-O 3.45Å; G79-P111 PolarHBondContact N-O 2.9Å; Y104-P111 HydrophobicContact CD1-CG 3.37Å; Y104-P111 HydrophobicContact CD2-CG 4.39Å; Y104-P111 HydrophobicContact CE1-CG 3.17Å; Y104-P111 HydrophobicContact CE2-CG 4.24Å; Y104-P111 HydrophobicContact CG-CG 3.98Å; E109-P111 WeakPolarHBondContact O-CD 3.35Å; P111-D131 HydrophobicContact CB-CB 4.23Å; P111-D131 HydrophobicContact CG-CB 3.99Å
112E91.9Very high85.1Confident66 Ų6667.1 Ų67.131%0.30835%0.348SS..  trans-68.9153.9173.359.2-170.9-177.500112.2F64 N114 A129 G130F64-E112 HydrophobicContact CD2-CB 4.15Å; F64-E112 HydrophobicContact CE2-CB 3.7Å; F64-E112 HydrophobicContact CE2-CG 4.28Å; F64-E112 WeakPolarHBondContact CE2-OE2 3.3Å; F64-E112 WeakPolarHBondContact CZ-OE2 3.49Å; E112-N114 PolarHBondContact OE1-OD1 2.68Å; E112-A129 WeakPolarHBondContact O-CA 3.49Å; E112-G130 PolarHBondContact O-N 3.01Å
113I94.9Very high85.1Confident0 Ų070.7 Ų70.70%037%0.367CS..EExtended strand (participates in β ladder)trans-104.1107.3172-66.2171.9000108F64 A76 G77 V81 P102 M116 I127F64-I113 VanDerWaalsContact CB-O 3.29Å; F64-I113 WeakPolarHBondContact CB-O 3.41Å; A76-I113 HydrophobicContact CB-CB 3.92Å; A76-I113 HydrophobicContact CB-CD1 4.49Å; A76-I113 HydrophobicContact CB-CG2 3.47Å; A76-I113 VanDerWaalsContact CB-CG2 3.47Å; G77-I113 PolarHBondContact O-N 2.83Å; V81-I113 HydrophobicContact CG2-CD1 3.71Å; P102-I113 HydrophobicContact CG-CD1 4.44Å; I113-M116 HydrophobicContact CG2-CG 4.35Å; I113-I127 HydrophobicContact CB-CG2 4.29Å; I113-I127 HydrophobicContact CD1-CG2 3.94Å; I113-I127 HydrophobicContact CG1-CG2 3.94Å; I113-I127 HydrophobicContact CG2-CG2 3.42Å; I113-I127 VanDerWaalsContact CG2-CG2 3.42Å
114N94.7Very high85.4Confident21 Ų2164.3 Ų64.311%0.11233%0.333CS..EExtended strand (participates in β ladder)trans-83.5-30.5-173.3-68-42.1000113.2E112 G128 V155E112-N114 PolarHBondContact OE1-OD1 2.68Å; N114-G128 PolarHBondContact N-O 3.47Å; N114-V155 WeakPolarHBondContact CB-O 3.28Å; N114-V155 PolarHBondContact ND2-O 2.82Å
115S95.3Very high86Confident5 Ų562.1 Ų62.14%0.03533%0.325CS..EExtended strand (participates in β ladder)trans-154.1147.8-171.7-159.20000113.2G128 H156 V158S115-G128 PolarHBondContact N-O 2.92Å; S115-G128 PolarHBondContact O-N 2.87Å; S115-H156 WeakPolarHBondContact CB-O 3.36Å; S115-V158 PolarHBondContact OG-N 3.37Å
116M96.4Very high87Confident11 Ų1154.1 Ų54.15%0.05429%0.29CS..EExtended strand (participates in β ladder)trans-132.3145176.1-64-171.7-65.300111S65 L67 L74 A76 V81 I113 L125 A126S65-M116 WeakPolarHBondContact O-CE 3.47Å; S65-M116 PolarHBondContact OG-N 2.79Å; L67-M116 HydrophobicContact CB-CE 4.25Å; L67-M116 HydrophobicContact CD2-CB 4.38Å; L74-M116 HydrophobicContact CB-CE 4.09Å; A76-M116 HydrophobicContact CB-CE 3.77Å; A76-M116 HydrophobicContact CB-CG 4.05Å; A76-M116 HydrophobicContact CB-SD 3.57Å; A76-M116 VanDerWaalsContact CB-SD 3.57Å; V81-M116 HydrophobicContact CG1-SD 3.9Å; V81-M116 HydrophobicContact CG2-SD 4.18Å; I113-M116 HydrophobicContact CG2-CG 4.35Å; M116-L125 HydrophobicContact CB-CD1 4.11Å; M116-L125 HydrophobicContact SD-CD1 4.44Å; M116-L125 HydrophobicContact SD-CD2 4.02Å; M116-A126 CarbonylContact C-O 3.53Å; M116-A126 VanDerWaalsContact CA-O 3.29Å; M116-A126 WeakPolarHBondContact CA-O 2.89Å
117A95Very high88.1Confident11 Ų1151.4 Ų51.49%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-141.2134.7169.900000110.4A126 V158 I160A117-A126 PolarHBondContact N-O 3.19Å; A117-A126 PolarHBondContact O-N 3.16Å; A117-V158 HydrophobicContact CB-CG2 3.94Å; A117-I160 HydrophobicContact CB-CG1 3.99Å
118I92.3Very high89.5Confident38 Ų3845.8 Ų45.820%0.19523%0.232CC..EExtended strand (participates in β ladder)trans-89.1134.7173.5-74.7153.8000108.7L67 T69 L74 P120 S124 L125 L139L67-I118 HydrophobicContact CD2-CB 4Å; L67-I118 HydrophobicContact CD2-CD1 3.28Å; L67-I118 HydrophobicContact CD2-CG1 3.33Å; L67-I118 HydrophobicContact CG-CD1 3.61Å; L67-I118 HydrophobicContact CG-CG1 4.22Å; T69-I118 HydrophobicContact CG2-CD1 3.49Å; T69-I118 VanDerWaalsContact CG2-CD1 3.49Å; L74-I118 HydrophobicContact CD1-CD1 4.18Å; L74-I118 HydrophobicContact CD1-CG1 4.44Å; I118-P120 WeakPolarHBondContact O-CD 3.29Å; I118-S124 WeakPolarHBondContact CA-O 3.5Å; I118-L125 HydrophobicContact CG1-CD1 3.74Å; I118-L139 HydrophobicContact CG1-CD1 4.4Å
119N90.2Very high90.7Very high4 Ų438.1 Ų38.12%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-94109.9162.1-178.12.3000109.2R121 D122 D123 S124 I160N119-R121 PolarHBondContact O-N 2.8Å; N119-R121 PolarHBondContact OD1-N 2.8Å; N119-D122 WeakPolarHBondContact CB-OD1 3.47Å; N119-D122 PolarHBondContact ND2-OD1 2.9Å; N119-D123 PolarHBondContact O-N 3.16Å; N119-S124 PolarHBondContact N-O 2.79Å; N119-S124 PolarHBondContact O-N 3.41Å; N119-I160 HydrophobicContact CB-CD1 4.13Å; N119-I160 HydrophobicContact CB-CG1 4.19Å; N119-I160 HydrophobicContact CB-CG2 4.29Å
120P82.5Confident91.5Very high87 Ų8731.9 Ų31.957%0.56517%0.165SC*.THydrogen-bonded Turntrans-72.3-12.6-175.329.8-35.8000113.4I118I118-P120 WeakPolarHBondContact O-CD 3.29Å
121R81.9Confident91.8Very high161 Ų16129.1 Ų29.161%0.60815%0.151SC*.THydrogen-bonded Turntrans-81.3-34.9-177.6-67.4-169.8-178.7-170.50.9113.6N119 E162 R163N119-R121 PolarHBondContact O-N 2.8Å; N119-R121 PolarHBondContact OD1-N 2.8Å; R121-E162 PolarHBondContact NE-O 3.36Å; R121-E162 VanDerWaalsContact NE-O 3.11Å; R121-E162 PolarHBondContact NH2-O 3.36Å; R121-R163 PolarHBondContact NH1-O 2.98Å; R121-R163 VanDerWaalsContact NH2-C 3.3Å; R121-R163 PolarHBondContact NH2-O 3.31Å
122D81.9Confident92Very high62 Ų6230.4 Ų30.433%0.33216%0.157SC..THydrogen-bonded Turntrans-123.313.7-174.677.7-27.8000113N119 S124 K145N119-D122 WeakPolarHBondContact CB-OD1 3.47Å; N119-D122 PolarHBondContact ND2-OD1 2.9Å; D122-S124 PolarHBondContact O-N 2.87Å; D122-S124 VanDerWaalsContact O-N 3.11Å; D122-S124 VanDerWaalsContact OD1-CB 3.29Å; D122-S124 WeakPolarHBondContact OD1-CB 3.47Å; D122-S124 PolarHBondContact OD1-N 3.39Å; D122-S124 PolarHBondContact OD1-OG 3.1Å; D122-S124 PolarHBondContact OD2-OG 2.95Å; D122-K145 IonicContact OD2-NZ 3.69Å; D122-K145 PolarHBondContact OD2-NZ 3.46Å
123D87.8Confident92.1Very high78 Ų7827.7 Ų27.742%0.41715%0.145SC..THydrogen-bonded Turntrans45.341.5-177.5-156.426.4000113.1N119 L139N119-D123 PolarHBondContact O-N 3.16Å; D123-L139 VanDerWaalsContact O-CB 3.26Å; D123-L139 WeakPolarHBondContact O-CB 3.48Å; D123-L139 WeakPolarHBondContact O-CG 3.06Å; D123-L139 PolarHBondContact O-N 3.35Å; D123-L139 VanDerWaalsContact O-N 3.08Å
124S91.4Very high92.2Very high5 Ų527.7 Ų27.74%0.03515%0.145CC..EExtended strand (participates in β ladder)trans-105.5146178.772.60000112.2I118 N119 D122 L137I118-S124 WeakPolarHBondContact CA-O 3.5Å; N119-S124 PolarHBondContact N-O 2.79Å; N119-S124 PolarHBondContact O-N 3.41Å; D122-S124 PolarHBondContact O-N 2.87Å; D122-S124 VanDerWaalsContact O-N 3.11Å; D122-S124 VanDerWaalsContact OD1-CB 3.29Å; D122-S124 WeakPolarHBondContact OD1-CB 3.47Å; D122-S124 PolarHBondContact OD1-N 3.39Å; D122-S124 PolarHBondContact OD1-OG 3.1Å; D122-S124 PolarHBondContact OD2-OG 2.95Å; S124-L137 CarbonylContact C-O 3.51Å; S124-L137 WeakPolarHBondContact CA-O 3.39Å
125L94.6Very high92.2Very high0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-107.5116.4175.4-175.974.4000109.1L67 L74 V81 M116 I118 I127 I136 L137 L139L67-L125 HydrophobicContact CD2-CD1 3.93Å; L74-L125 HydrophobicContact CD1-CD1 3.82Å; L74-L125 HydrophobicContact CD1-CD2 4.06Å; V81-L125 HydrophobicContact CG1-CD2 4.02Å; M116-L125 HydrophobicContact CB-CD1 4.11Å; M116-L125 HydrophobicContact SD-CD1 4.44Å; M116-L125 HydrophobicContact SD-CD2 4.02Å; I118-L125 HydrophobicContact CG1-CD1 3.74Å; L125-I127 HydrophobicContact CD2-CD1 4.04Å; L125-I127 HydrophobicContact CD2-CG1 3.98Å; L125-I127 HydrophobicContact CG-CD1 4.45Å; L125-I127 HydrophobicContact CG-CG1 3.99Å; L125-I136 WeakPolarHBondContact O-CA 3.44Å; L125-L137 HydrophobicContact CB-CB 4.25Å; L125-L137 HydrophobicContact CD2-CD2 4.13Å; L125-L137 PolarHBondContact N-O 3.07Å; L125-L137 PolarHBondContact O-N 2.77Å; L125-L139 HydrophobicContact CB-CD1 4.37Å; L125-L139 HydrophobicContact CB-CD2 4.04Å; L125-L139 HydrophobicContact CB-CG 4.18Å; L125-L139 HydrophobicContact CD2-CD2 4.41Å
126A95.3Very high92.1Very high2 Ų227.1 Ų27.12%0.01714%0.141CC..EExtended strand (participates in β ladder)trans-85.7131.9169.300000109.8M116 A117 V134 I136 L167M116-A126 CarbonylContact C-O 3.53Å; M116-A126 VanDerWaalsContact CA-O 3.29Å; M116-A126 WeakPolarHBondContact CA-O 2.89Å; A117-A126 PolarHBondContact N-O 3.19Å; A117-A126 PolarHBondContact O-N 3.16Å; A126-V134 HydrophobicContact CB-CG1 4.44Å; A126-I136 HydrophobicContact CB-CD1 3.87Å; A126-L167 HydrophobicContact CB-CD1 3.52Å; A126-L167 HydrophobicContact CB-CD2 3.89Å; A126-L167 HydrophobicContact CB-CG 4.37Å
127I96.2Very high92.1Very high0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-127.1113.2-172.5-61.1166.1000108V81 I113 L125 V134 H135 L137 F144V81-I127 HydrophobicContact CG2-CD1 3.81Å; V81-I127 HydrophobicContact CG2-CG1 4.41Å; I113-I127 HydrophobicContact CB-CG2 4.29Å; I113-I127 HydrophobicContact CD1-CG2 3.94Å; I113-I127 HydrophobicContact CG1-CG2 3.94Å; I113-I127 HydrophobicContact CG2-CG2 3.42Å; I113-I127 VanDerWaalsContact CG2-CG2 3.42Å; L125-I127 HydrophobicContact CD2-CD1 4.04Å; L125-I127 HydrophobicContact CD2-CG1 3.98Å; L125-I127 HydrophobicContact CG-CD1 4.45Å; L125-I127 HydrophobicContact CG-CG1 3.99Å; I127-V134 CarbonylContact O-C 3.52Å; I127-V134 VanDerWaalsContact O-CA 3.29Å; I127-V134 WeakPolarHBondContact O-CA 3.49Å; I127-V134 WeakPolarHBondContact O-CG1 3.39Å; I127-H135 HydrophobicContact CB-CB 4.33Å; I127-H135 PolarHBondContact N-O 3.22Å; I127-H135 PolarHBondContact O-N 2.81Å; I127-L137 HydrophobicContact CD1-CB 4.1Å; I127-F144 HydrophobicContact CD1-CE1 3.85Å; I127-F144 HydrophobicContact CD1-CZ 4.38Å
128G95.7Very high91.9Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-86.3120.9171.500000110.6N114 S115N114-G128 PolarHBondContact N-O 3.47Å; S115-G128 PolarHBondContact N-O 2.92Å; S115-G128 PolarHBondContact O-N 2.87Å
129A94.3Very high91.8Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-119.3161.2-174.200000113.1E112 D131 N132 N133 V155E112-A129 WeakPolarHBondContact O-CA 3.49Å; A129-D131 WeakPolarHBondContact CB-OD1 3.49Å; A129-D131 PolarHBondContact O-N 3.42Å; A129-N132 PolarHBondContact O-N 2.82Å; A129-N133 PolarHBondContact N-O 3.28Å; A129-V155 PolarHBondContact O-N 3.49Å
130G93.3Very high91.7Very high9 Ų934 Ų349%0.09317%0.172CC..THydrogen-bonded Turntrans-73.36.417300000114.7E112 N132 Y154E112-G130 PolarHBondContact O-N 3.01Å; G130-N132 VanDerWaalsContact C-N 3.26Å; G130-Y154 WeakPolarHBondContact O-CD1 3.32Å; G130-Y154 WeakPolarHBondContact O-CE1 3.44Å
131D92.4Very high91.9Very high34 Ų3436.1 Ų36.118%0.18217%0.174CC..THydrogen-bonded Turntrans-93.114.9170.274.2-21.3000113.2P111 A129 N133 H135P111-D131 HydrophobicContact CB-CB 4.23Å; P111-D131 HydrophobicContact CG-CB 3.99Å; A129-D131 WeakPolarHBondContact CB-OD1 3.49Å; A129-D131 PolarHBondContact O-N 3.42Å; D131-N133 PolarHBondContact O-N 2.91Å; D131-N133 PolarHBondContact O-ND2 3.19Å; D131-N133 WeakPolarHBondContact OD1-CB 3.34Å; D131-N133 PolarHBondContact OD1-N 3.08Å; D131-N133 PolarHBondContact OD2-ND2 3.48Å; D131-H135 IonicContact OD1-NE2 3.64Å; D131-H135 IonicContact OD2-CE1 3.37Å; D131-H135 IonicContact OD2-NE2 3.43Å; D131-H135 PolarHBondContact OD2-NE2 3.32Å
132N94.1Very high92.2Very high45 Ų4529.1 Ų29.124%0.24115%0.152CC..SBendtrans68.210.4-177.8-43.8-18.5000113.6A129 G130 H151 T152 D153 Y154A129-N132 PolarHBondContact O-N 2.82Å; G130-N132 VanDerWaalsContact C-N 3.26Å; N132-H151 WeakPolarHBondContact O-CB 3.32Å; N132-T152 PolarHBondContact ND2-O 2.87Å; N132-D153 WeakPolarHBondContact CA-O 3.44Å; N132-D153 WeakPolarHBondContact CB-O 3.49Å; N132-D153 VanDerWaalsContact CG-C 3.43Å; N132-D153 VanDerWaalsContact CG-CA 3.47Å; N132-D153 VanDerWaalsContact OD1-CA 3.29Å; N132-D153 WeakPolarHBondContact OD1-CA 2.89Å; N132-D153 PolarHBondContact OD1-O 2.89Å; N132-Y154 WeakPolarHBondContact OD1-CD1 3.05Å; N132-Y154 PolarHBondContact OD1-N 3.44Å
133N94.3Very high92.6Very high9 Ų928.5 Ų28.55%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-113.3161.2-179.2-53.2-59.7000111.3A129 D131 T147 Q149A129-N133 PolarHBondContact N-O 3.28Å; D131-N133 PolarHBondContact O-N 2.91Å; D131-N133 PolarHBondContact O-ND2 3.19Å; D131-N133 WeakPolarHBondContact OD1-CB 3.34Å; D131-N133 PolarHBondContact OD1-N 3.08Å; D131-N133 PolarHBondContact OD2-ND2 3.48Å; N133-T147 HydrophobicContact CB-CG2 3.73Å; N133-Q149 WeakPolarHBondContact OD1-CG 3.5Å
134V95.8Very high92.8Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-110.5120.3166.9-174.90000108.4A126 I127 I136 L148 V155 V158 L167A126-V134 HydrophobicContact CB-CG1 4.44Å; I127-V134 CarbonylContact O-C 3.52Å; I127-V134 VanDerWaalsContact O-CA 3.29Å; I127-V134 WeakPolarHBondContact O-CA 3.49Å; I127-V134 WeakPolarHBondContact O-CG1 3.39Å; V134-I136 HydrophobicContact CG1-CD1 4.39Å; V134-L148 HydrophobicContact CB-CB 4.14Å; V134-L148 HydrophobicContact CB-CD1 4.23Å; V134-L148 HydrophobicContact CB-CG 4.49Å; V134-L148 HydrophobicContact CG1-CD1 4.34Å; V134-L148 PolarHBondContact N-O 2.85Å; V134-L148 VanDerWaalsContact N-O 3.11Å; V134-L148 PolarHBondContact O-N 2.86Å; V134-V155 HydrophobicContact CG2-CG1 4.1Å; V134-V155 HydrophobicContact CG2-CG2 4.11Å; V134-V158 HydrophobicContact CG1-CG1 4.09Å; V134-V158 HydrophobicContact CG2-CG1 4.26Å; V134-L167 HydrophobicContact CG1-CD2 3.88Å
135H95Very high92.8Very high2 Ų232 Ų321%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-97140.8178.6-61.3-76.3000110.7P102 I127 D131 F144 T147P102-H135 HydrophobicContact CB-CB 4.44Å; I127-H135 HydrophobicContact CB-CB 4.33Å; I127-H135 PolarHBondContact N-O 3.22Å; I127-H135 PolarHBondContact O-N 2.81Å; D131-H135 IonicContact OD1-NE2 3.64Å; D131-H135 IonicContact OD2-CE1 3.37Å; D131-H135 IonicContact OD2-NE2 3.43Å; D131-H135 PolarHBondContact OD2-NE2 3.32Å; H135-F144 HydrophobicContact CB-CD1 4.02Å; H135-F144 HydrophobicContact CB-CE1 4.06Å; H135-T147 PolarHBondContact ND1-OG1 2.88Å; H135-T147 VanDerWaalsContact ND1-OG1 3.16Å
136I94.6Very high92.6Very high11 Ų1133.6 Ų33.66%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-110.8117.7175.6-47.9-60000109L125 A126 V134 F144 K145 A146 L148 L167L125-I136 WeakPolarHBondContact O-CA 3.44Å; A126-I136 HydrophobicContact CB-CD1 3.87Å; V134-I136 HydrophobicContact CG1-CD1 4.39Å; I136-F144 CarbonylContact O-C 3.54Å; I136-F144 WeakPolarHBondContact O-CA 3.25Å; I136-K145 HydrophobicContact CB-CG 4.13Å; I136-K145 HydrophobicContact CG2-CD 4.18Å; I136-K145 HydrophobicContact CG2-CG 3.88Å; I136-K145 PolarHBondContact O-N 2.72Å; I136-A146 HydrophobicContact CB-CB 4.19Å; I136-A146 HydrophobicContact CG1-CB 4.13Å; I136-A146 PolarHBondContact N-O 3.23Å; I136-L148 HydrophobicContact CD1-CD1 4.06Å; I136-L148 HydrophobicContact CG1-CD1 4.33Å; I136-L148 HydrophobicContact CG1-CG 4.38Å; I136-L167 HydrophobicContact CD1-CD2 3.66Å
137L94.7Very high92.5Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-102127.5175.2175.768.3000109.2W98 S124 L125 I127 L139 F144W98-L137 HydrophobicContact CH2-CD2 3.95Å; W98-L137 HydrophobicContact CZ3-CD2 4.25Å; S124-L137 CarbonylContact C-O 3.51Å; S124-L137 WeakPolarHBondContact CA-O 3.39Å; L125-L137 HydrophobicContact CB-CB 4.25Å; L125-L137 HydrophobicContact CD2-CD2 4.13Å; L125-L137 PolarHBondContact N-O 3.07Å; L125-L137 PolarHBondContact O-N 2.77Å; I127-L137 HydrophobicContact CD1-CB 4.1Å; L137-L139 HydrophobicContact CD2-CD2 4.25Å; L137-F144 HydrophobicContact CB-CD1 4.2Å; L137-F144 HydrophobicContact CB-CE1 4.07Å; L137-F144 HydrophobicContact CD1-CD1 4.39Å; L137-F144 HydrophobicContact CD1-CD2 4.15Å; L137-F144 HydrophobicContact CD1-CE1 4.36Å; L137-F144 HydrophobicContact CD1-CE2 4.07Å; L137-F144 HydrophobicContact CD1-CG 4.3Å; L137-F144 HydrophobicContact CD1-CZ 4.19Å
138D92.3Very high92.4Very high30 Ų3036.7 Ų36.716%0.1620%0.198CC..EExtended strand (participates in β ladder)trans-77.8119.8166.4-179-21.2000108.6E140 H141 G142 A143 K145D138-E140 WeakPolarHBondContact OD1-CB 3.44Å; D138-E140 PolarHBondContact OD1-N 2.91Å; D138-H141 PolarHBondContact OD1-N 3.42Å; D138-H141 IonicContact OD1-ND1 2.85Å; D138-H141 IonicContact OD2-CE1 2.97Å; D138-H141 IonicContact OD2-CG 3.65Å; D138-H141 IonicContact OD2-ND1 3.88Å; D138-H141 PolarHBondContact OD2-ND1 2.83Å; D138-G142 WeakPolarHBondContact O-CA 3.27Å; D138-G142 PolarHBondContact O-N 2.88Å; D138-A143 WeakPolarHBondContact CB-O 3.42Å; D138-A143 PolarHBondContact N-O 2.84Å; D138-A143 PolarHBondContact O-N 3.03Å; D138-K145 HydrophobicContact CB-CD 4.44Å
139L90.3Very high92.3Very high29 Ų2942.4 Ų42.415%0.15223%0.225CC..THydrogen-bonded Turntrans-77.8-25.9-178.8-65.3174.2000112.8L74 W98 I118 D123 L125 L137L74-L139 HydrophobicContact CD1-CD2 4.37Å; W98-L139 HydrophobicContact CH2-CD2 4.14Å; W98-L139 HydrophobicContact CZ2-CD2 4Å; I118-L139 HydrophobicContact CG1-CD1 4.4Å; D123-L139 VanDerWaalsContact O-CB 3.26Å; D123-L139 WeakPolarHBondContact O-CB 3.48Å; D123-L139 WeakPolarHBondContact O-CG 3.06Å; D123-L139 PolarHBondContact O-N 3.35Å; D123-L139 VanDerWaalsContact O-N 3.08Å; L125-L139 HydrophobicContact CB-CD1 4.37Å; L125-L139 HydrophobicContact CB-CD2 4.04Å; L125-L139 HydrophobicContact CB-CG 4.18Å; L125-L139 HydrophobicContact CD2-CD2 4.41Å; L137-L139 HydrophobicContact CD2-CD2 4.25Å
140E87.6Confident92.2Very high150 Ų15043.7 Ų43.770%0.70124%0.239SC*.THydrogen-bonded Turntrans-70.2-48.4178.8-174.6178.6-166.900110.4D138D138-E140 WeakPolarHBondContact OD1-CB 3.44Å; D138-E140 PolarHBondContact OD1-N 2.91Å
141H86.8Confident92.3Very high131 Ų13143.9 Ų43.961%0.60624%0.237SC*.THydrogen-bonded Turntrans-94.9-12.6-178.1-58.594.3000113.5D138 A143D138-H141 PolarHBondContact OD1-N 3.42Å; D138-H141 IonicContact OD1-ND1 2.85Å; D138-H141 IonicContact OD2-CE1 2.97Å; D138-H141 IonicContact OD2-CG 3.65Å; D138-H141 IonicContact OD2-ND1 3.88Å; D138-H141 PolarHBondContact OD2-ND1 2.83Å; H141-A143 VanDerWaalsContact C-N 3.31Å; H141-A143 PolarHBondContact O-N 2.78Å
142G87.6Confident92.5Very high14 Ų1447.2 Ų47.214%0.14426%0.259CS..THydrogen-bonded Turntrans62.836.3-177.800000113.1K100 D138K100-G142 VanDerWaalsContact CE-O 3.27Å; K100-G142 WeakPolarHBondContact CE-O 3.44Å; K100-G142 PolarHBondContact NZ-O 2.92Å; D138-G142 WeakPolarHBondContact O-CA 3.27Å; D138-G142 PolarHBondContact O-N 2.88Å
143A90.2Very high92.6Very high49 Ų4947.8 Ų47.841%0.40526%0.262SS..EExtended strand (participates in β ladder)trans-127139.3-174.700000112D138 H141 K145D138-A143 WeakPolarHBondContact CB-O 3.42Å; D138-A143 PolarHBondContact N-O 2.84Å; D138-A143 PolarHBondContact O-N 3.03Å; H141-A143 VanDerWaalsContact C-N 3.31Å; H141-A143 PolarHBondContact O-N 2.78Å; A143-K145 PolarHBondContact O-N 3.29Å
144F92.3Very high92.6Very high52 Ų5251.9 Ų51.923%0.22828%0.277CS..EExtended strand (participates in β ladder)trans-73.8114.1174.9-72.3-85.6000109.7K100 R101 P102 I127 H135 I136 L137K100-F144 HydrophobicContact CB-CE2 4.19Å; R101-F144 WeakPolarHBondContact O-CE2 3.49Å; P102-F144 VanDerWaalsContact CA-CZ 3.49Å; P102-F144 HydrophobicContact CB-CD1 4.44Å; P102-F144 HydrophobicContact CB-CE1 3.89Å; P102-F144 HydrophobicContact CB-CZ 4.01Å; P102-F144 HydrophobicContact CG-CE1 3.71Å; P102-F144 HydrophobicContact CG-CZ 3.7Å; P102-F144 VanDerWaalsContact N-CZ 3.28Å; I127-F144 HydrophobicContact CD1-CE1 3.85Å; I127-F144 HydrophobicContact CD1-CZ 4.38Å; H135-F144 HydrophobicContact CB-CD1 4.02Å; H135-F144 HydrophobicContact CB-CE1 4.06Å; I136-F144 CarbonylContact O-C 3.54Å; I136-F144 WeakPolarHBondContact O-CA 3.25Å; L137-F144 HydrophobicContact CB-CD1 4.2Å; L137-F144 HydrophobicContact CB-CE1 4.07Å; L137-F144 HydrophobicContact CD1-CD1 4.39Å; L137-F144 HydrophobicContact CD1-CD2 4.15Å; L137-F144 HydrophobicContact CD1-CE1 4.36Å; L137-F144 HydrophobicContact CD1-CE2 4.07Å; L137-F144 HydrophobicContact CD1-CG 4.3Å; L137-F144 HydrophobicContact CD1-CZ 4.19Å
145K90.9Very high92.7Very high106 Ų10651.9 Ų51.946%0.46128%0.277SS..EExtended strand (participates in β ladder)trans-94-28.7-174.767.3177.6179.5-176.60113.7D122 I136 D138 A143D122-K145 IonicContact OD2-NZ 3.69Å; D122-K145 PolarHBondContact OD2-NZ 3.46Å; I136-K145 HydrophobicContact CB-CG 4.13Å; I136-K145 HydrophobicContact CG2-CD 4.18Å; I136-K145 HydrophobicContact CG2-CG 3.88Å; I136-K145 PolarHBondContact O-N 2.72Å; D138-K145 HydrophobicContact CB-CD 4.44Å; A143-K145 PolarHBondContact O-N 3.29Å
146A90.9Very high92.8Very high33 Ų3353.9 Ų53.927%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-151.6153.7-17800000112.5I136I136-A146 HydrophobicContact CB-CB 4.19Å; I136-A146 HydrophobicContact CG1-CB 4.13Å; I136-A146 PolarHBondContact N-O 3.23Å
147T93.2Very high92.9Very high64 Ų6453.6 Ų53.639%0.39329%0.285SS..EExtended strand (participates in β ladder)trans-127.4119.9169-61.40000108N133 H135 Q149N133-T147 HydrophobicContact CB-CG2 3.73Å; H135-T147 PolarHBondContact ND1-OG1 2.88Å; H135-T147 VanDerWaalsContact ND1-OG1 3.16Å; T147-Q149 HydrophobicContact CG2-CG 4.15Å
148L94.1Very high93Very high2 Ų254 Ų541%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-93.4115.8-179.2-50.3179.6000108.7V134 I136 L167 W179 G184V134-L148 HydrophobicContact CB-CB 4.14Å; V134-L148 HydrophobicContact CB-CD1 4.23Å; V134-L148 HydrophobicContact CB-CG 4.49Å; V134-L148 HydrophobicContact CG1-CD1 4.34Å; V134-L148 PolarHBondContact N-O 2.85Å; V134-L148 VanDerWaalsContact N-O 3.11Å; V134-L148 PolarHBondContact O-N 2.86Å; I136-L148 HydrophobicContact CD1-CD1 4.06Å; I136-L148 HydrophobicContact CG1-CD1 4.33Å; I136-L148 HydrophobicContact CG1-CG 4.38Å; L148-L167 HydrophobicContact CD1-CD2 3.44Å; L148-L167 VanDerWaalsContact CD1-CD2 3.44Å; L148-W179 HydrophobicContact CB-CD2 3.98Å; L148-W179 HydrophobicContact CB-CE3 3.71Å; L148-W179 HydrophobicContact CB-CH2 4.13Å; L148-W179 HydrophobicContact CB-CZ2 4.38Å; L148-W179 HydrophobicContact CB-CZ3 3.79Å; L148-W179 HydrophobicContact CD1-CB 3.85Å; L148-W179 HydrophobicContact CD1-CD2 3.89Å; L148-W179 HydrophobicContact CD1-CE3 4.21Å; L148-W179 HydrophobicContact CD1-CG 3.72Å; L148-W179 HydrophobicContact CD2-CE3 4.45Å; L148-W179 HydrophobicContact CG-CD2 4.47Å; L148-W179 HydrophobicContact CG-CE3 4.36Å; L148-G184 WeakPolarHBondContact CD2-O 3.33Å
149Q93.6Very high93.1Very high120 Ų12053.4 Ų53.456%0.56129%0.286SS*.EExtended strand (participates in β ladder)trans-109.4135.8-175.6-57.9-172.6-7.100110.1N133 T147 W179N133-Q149 WeakPolarHBondContact OD1-CG 3.5Å; T147-Q149 HydrophobicContact CG2-CG 4.15Å; Q149-W179 WeakPolarHBondContact O-CH2 3.39Å; Q149-W179 WeakPolarHBondContact O-CZ3 3.43Å
150G92.2Very high93.2Very high28 Ų2852.9 Ų52.929%0.28928%0.283SS..  trans164-27.3174.800000114.8R177G150-R177 VanDerWaalsContact C-NE 3.3Å; G150-R177 PolarHBondContact O-NE 2.94Å; G150-R177 PolarHBondContact O-NH2 2.91Å
151H96.3Very high93.2Very high12 Ų1246.2 Ų46.26%0.05625%0.252CS..  trans-66.5146.6170.3-76.4-65.4000110.6N132 V155 S169 S171 D173 A175N132-H151 WeakPolarHBondContact O-CB 3.32Å; H151-V155 HydrophobicContact CB-CG2 4.31Å; H151-S169 PolarHBondContact CD2-OG 2.96Å; H151-S169 PolarHBondContact NE2-OG 2.96Å; H151-S171 VanDerWaalsContact CE1-CB 3.43Å; H151-S171 WeakPolarHBondContact CE1-CB 3.45Å; H151-S171 WeakPolarHBondContact ND1-CB 3.21Å; H151-D173 WeakPolarHBondContact CA-OD2 3.25Å; H151-D173 IonicContact CE1-OD1 3.36Å; H151-D173 IonicContact CE1-OD2 2.61Å; H151-D173 IonicContact CG-OD2 3.63Å; H151-D173 IonicContact ND1-OD1 2.79Å; H151-D173 PolarHBondContact ND1-OD1 2.94Å; H151-D173 IonicContact ND1-OD2 2.9Å; H151-D173 PolarHBondContact ND1-OD2 3.48Å; H151-A175 PolarHBondContact CE1-O 3.17Å
152T96.1Very high92.6Very high104 Ų10446.6 Ų46.664%0.63825%0.253SS*.SBendtrans-97.1-6.1179.560.20000112.8N132 D173N132-T152 PolarHBondContact ND2-O 2.87Å; T152-D173 PolarHBondContact N-OD2 2.99Å; T152-D173 VanDerWaalsContact N-OD2 3.14Å; T152-D173 WeakPolarHBondContact OG1-CB 3.47Å
153D96.1Very high91.8Very high58 Ų5854.3 Ų54.331%0.3128%0.278SS..SBendtrans-152.9177.9-175-148.6-30.5000110.1N132 S171 E172 D173N132-D153 WeakPolarHBondContact CA-O 3.44Å; N132-D153 WeakPolarHBondContact CB-O 3.49Å; N132-D153 VanDerWaalsContact CG-C 3.43Å; N132-D153 VanDerWaalsContact CG-CA 3.47Å; N132-D153 VanDerWaalsContact OD1-CA 3.29Å; N132-D153 WeakPolarHBondContact OD1-CA 2.89Å; N132-D153 PolarHBondContact OD1-O 2.89Å; D153-S171 PolarHBondContact O-OG 2.9Å; D153-E172 HydrophobicContact CB-CB 3.89Å; D153-E172 HydrophobicContact CB-CG 4.39Å; D153-D173 HydrophobicContact CB-CB 4Å
154Y95.3Very high90.9Very high94 Ų9456.4 Ų56.437%0.36928%0.28SS..  trans-54.1138.9-169.6-59.4-19000113.1G130 N132 S171 E172G130-Y154 WeakPolarHBondContact O-CD1 3.32Å; G130-Y154 WeakPolarHBondContact O-CE1 3.44Å; N132-Y154 WeakPolarHBondContact OD1-CD1 3.05Å; N132-Y154 PolarHBondContact OD1-N 3.44Å; Y154-S171 CarbonylContact O-C 3.55Å; Y154-S171 WeakPolarHBondContact O-CA 3.36Å; Y154-S171 VanDerWaalsContact O-CB 3.29Å; Y154-S171 WeakPolarHBondContact O-CB 3.43Å; Y154-S171 PolarHBondContact O-OG 3.11Å; Y154-E172 PolarHBondContact O-N 3.19Å
155V97.4Very high90Very high0 Ų055.1 Ų55.10%028%0.279CS..EExtended strand (participates in β ladder)trans-88.8121.1173.6-1760000108.6N114 A129 V134 H151 V158N114-V155 WeakPolarHBondContact CB-O 3.28Å; N114-V155 PolarHBondContact ND2-O 2.82Å; A129-V155 PolarHBondContact O-N 3.49Å; V134-V155 HydrophobicContact CG2-CG1 4.1Å; V134-V155 HydrophobicContact CG2-CG2 4.11Å; H151-V155 HydrophobicContact CB-CG2 4.31Å; V155-V158 HydrophobicContact CG1-CG1 4.04Å
156H96.5Very high89.7Confident45 Ų4551.9 Ų51.921%0.20827%0.265CS..EExtended strand (participates in β ladder)trans-97.8-30.9-177.2-73-55.6000113.4S115 G170 E172 I207S115-H156 WeakPolarHBondContact CB-O 3.36Å; H156-G170 PolarHBondContact N-O 3.27Å; H156-E172 PolarHBondContact CD2-N 3.48Å; H156-E172 IonicContact CD2-OE2 3.19Å; H156-E172 IonicContact CE1-OE2 2.8Å; H156-E172 IonicContact NE2-OE2 3.95Å; H156-E172 PolarHBondContact NE2-OE2 3.01Å; H156-I207 VanDerWaalsContact CB-O 3.28Å; H156-I207 WeakPolarHBondContact CB-O 3.46Å
157C96.3Very high89.8Confident4 Ų450.3 Ų50.33%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-145.3142.7-175.759.10000111.9S169 G170 S208 L210C157-S169 CarbonylContact O-C 3.53Å; C157-S169 VanDerWaalsContact O-CA 3.3Å; C157-S169 WeakPolarHBondContact O-CA 3.39Å; C157-G170 PolarHBondContact N-O 2.93Å; C157-G170 PolarHBondContact O-N 3.01Å; C157-S208 WeakPolarHBondContact CB-O 3.11Å; C157-L210 HydrophobicContact CB-CB 4.3Å; C157-L210 VanDerWaalsContact SG-CB 3.55Å
158V96.7Very high90Very high8 Ų847.3 Ų47.35%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-129.9146.8172.8-65.30000109.8S115 A117 V134 V155 L167 L168S115-V158 PolarHBondContact OG-N 3.37Å; A117-V158 HydrophobicContact CB-CG2 3.94Å; V134-V158 HydrophobicContact CG1-CG1 4.09Å; V134-V158 HydrophobicContact CG2-CG1 4.26Å; V155-V158 HydrophobicContact CG1-CG1 4.04Å; V158-L167 HydrophobicContact CB-CD1 4.2Å; V158-L168 CarbonylContact C-O 3.58Å; V158-L168 WeakPolarHBondContact CA-O 3.07Å
159C94.8Very high90.1Very high18 Ų1847.2 Ų47.212%0.12223%0.233CC..EExtended strand (participates in β ladder)trans-147.3144.9-180-172.40000110.5L168 L210C159-L168 PolarHBondContact N-O 2.81Å; C159-L168 PolarHBondContact O-N 3.46Å; C159-L210 HydrophobicContact CB-CD2 4.31Å; C159-L210 HydrophobicContact CB-CG 4.2Å
160I91.6Very high90.3Very high18 Ų1841.5 Ų41.59%0.09221%0.206CC..EExtended strand (participates in β ladder)trans-106129.9175.8-62.2-67.7000109.3A117 N119 E162 L167 T212A117-I160 HydrophobicContact CB-CG1 3.99Å; N119-I160 HydrophobicContact CB-CD1 4.13Å; N119-I160 HydrophobicContact CB-CG1 4.19Å; N119-I160 HydrophobicContact CB-CG2 4.29Å; I160-E162 PolarHBondContact O-N 2.86Å; I160-L167 HydrophobicContact CD1-CB 3.91Å; I160-L167 HydrophobicContact CD1-CD1 3.6Å; I160-L167 HydrophobicContact CD1-CG 4.31Å; I160-L167 HydrophobicContact CG1-CD1 4.5Å; I160-T212 PolarHBondContact O-OG1 2.84Å
161R88.9Confident90.6Very high11 Ų1140.1 Ų40.14%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-86.7104.5170.1-173-179.5179.2-145.8-13.5109.7R163 E164 A165 E166 L168 S214 D215R161-R163 VanDerWaalsContact C-N 3.3Å; R161-R163 PolarHBondContact O-N 2.78Å; R161-R163 VanDerWaalsContact O-N 3.13Å; R161-E164 IonicContact CZ-OE1 3.53Å; R161-E164 IonicContact CZ-OE2 2.78Å; R161-E164 IonicContact NH1-OE1 3.93Å; R161-E164 PolarHBondContact NH1-OE1 2.82Å; R161-E164 IonicContact NH1-OE2 3.73Å; R161-E164 PolarHBondContact NH1-OE2 3.43Å; R161-E164 VanDerWaalsContact NH2-CD 3.3Å; R161-E164 IonicContact NH2-OE1 3.94Å; R161-E164 PolarHBondContact NH2-OE1 2.9Å; R161-E164 IonicContact NH2-OE2 3.82Å; R161-E164 PolarHBondContact O-N 2.82Å; R161-A165 WeakPolarHBondContact O-CA 3.46Å; R161-A165 PolarHBondContact O-N 2.99Å; R161-E166 HydrophobicContact CB-CB 4.3Å; R161-E166 WeakPolarHBondContact CD-OE2 3.49Å; R161-E166 IonicContact CZ-OE2 2.68Å; R161-E166 PolarHBondContact N-O 3.3Å; R161-E166 IonicContact NH1-OE2 3.42Å; R161-E166 PolarHBondContact NH1-OE2 3.29Å; R161-L168 HydrophobicContact CB-CD1 4.14Å; R161-S214 PolarHBondContact NE-O 3.37Å; R161-D215 IonicContact CZ-OD1 2.77Å; R161-D215 IonicContact NH2-OD1 2.68Å; R161-D215 PolarHBondContact NH2-OD1 3Å
162E74.6Confident90.6Very high138 Ų13842.4 Ų42.465%0.64520%0.203SC*.THydrogen-bonded Turntrans-57.8-31.9-169.4-66.7-170.8169.400115.5R121 I160R121-E162 PolarHBondContact NE-O 3.36Å; R121-E162 VanDerWaalsContact NE-O 3.11Å; R121-E162 PolarHBondContact NH2-O 3.36Å; I160-E162 PolarHBondContact O-N 2.86Å
163R71.1Confident90.7Very high176 Ų17638 Ų3866%0.66418%0.176SC*.THydrogen-bonded Turntrans-76.1-37.9-175.4-65.4-168.885.6164.74.4113.3R121 R161R121-R163 PolarHBondContact NH1-O 2.98Å; R121-R163 VanDerWaalsContact NH2-C 3.3Å; R121-R163 PolarHBondContact NH2-O 3.31Å; R161-R163 VanDerWaalsContact C-N 3.3Å; R161-R163 PolarHBondContact O-N 2.78Å; R161-R163 VanDerWaalsContact O-N 3.13Å
164E69.6Low90.7Very high94 Ų9435.2 Ų35.244%0.43916%0.161SC..THydrogen-bonded Turntrans-110-1.9-173.6-65.2-178.9-159.500112.5R161 E166R161-E164 IonicContact CZ-OE1 3.53Å; R161-E164 IonicContact CZ-OE2 2.78Å; R161-E164 IonicContact NH1-OE1 3.93Å; R161-E164 PolarHBondContact NH1-OE1 2.82Å; R161-E164 IonicContact NH1-OE2 3.73Å; R161-E164 PolarHBondContact NH1-OE2 3.43Å; R161-E164 VanDerWaalsContact NH2-CD 3.3Å; R161-E164 IonicContact NH2-OE1 3.94Å; R161-E164 PolarHBondContact NH2-OE1 2.9Å; R161-E164 IonicContact NH2-OE2 3.82Å; R161-E164 PolarHBondContact O-N 2.82Å; E164-E166 HydrophobicContact CB-CG 3.84Å; E164-E166 PolarHBondContact O-N 2.94Å
165A73.2Confident90.7Very high25 Ų2531 Ų3121%0.20715%0.145CC..THydrogen-bonded Turntrans53.430.1-175.800000112.9R161 C181R161-A165 WeakPolarHBondContact O-CA 3.46Å; R161-A165 PolarHBondContact O-N 2.99Å; A165-C181 PolarHBondContact O-SG 3.37Å
166E86.4Confident90.7Very high38 Ų3831 Ų3118%0.17815%0.145CC..EExtended strand (participates in β ladder)trans-82.4134.8175.3-64.1-178.6131.800109.3R161 E164 L168 M178R161-E166 HydrophobicContact CB-CB 4.3Å; R161-E166 WeakPolarHBondContact CD-OE2 3.49Å; R161-E166 IonicContact CZ-OE2 2.68Å; R161-E166 PolarHBondContact N-O 3.3Å; R161-E166 IonicContact NH1-OE2 3.42Å; R161-E166 PolarHBondContact NH1-OE2 3.29Å; E164-E166 HydrophobicContact CB-CG 3.84Å; E164-E166 PolarHBondContact O-N 2.94Å; E166-L168 HydrophobicContact CB-CD1 4.28Å; E166-M178 WeakPolarHBondContact OE2-CE 3.46Å
167L93.1Very high90.8Very high0 Ų031.2 Ų31.20%014%0.144CC..EExtended strand (participates in β ladder)trans-94.4133.3172.1170.766.5000108.8A126 V134 I136 L148 V158 I160 M178 W179A126-L167 HydrophobicContact CB-CD1 3.52Å; A126-L167 HydrophobicContact CB-CD2 3.89Å; A126-L167 HydrophobicContact CB-CG 4.37Å; V134-L167 HydrophobicContact CG1-CD2 3.88Å; I136-L167 HydrophobicContact CD1-CD2 3.66Å; L148-L167 HydrophobicContact CD1-CD2 3.44Å; L148-L167 VanDerWaalsContact CD1-CD2 3.44Å; V158-L167 HydrophobicContact CB-CD1 4.2Å; I160-L167 HydrophobicContact CD1-CB 3.91Å; I160-L167 HydrophobicContact CD1-CD1 3.6Å; I160-L167 HydrophobicContact CD1-CG 4.31Å; I160-L167 HydrophobicContact CG1-CD1 4.5Å; L167-M178 CarbonylContact O-C 3.57Å; L167-M178 WeakPolarHBondContact O-CA 3.49Å; L167-W179 HydrophobicContact CB-CB 4.26Å; L167-W179 PolarHBondContact N-O 2.72Å; L167-W179 PolarHBondContact O-N 2.87Å
168L95.8Very high90.7Very high0 Ų031.2 Ų31.20%014%0.144CC..EExtended strand (participates in β ladder)trans-116.5144.3172.1-64.477.3000109.8V158 C159 R161 E166 V176 R177 M178 L210 T212 M217 L230V158-L168 CarbonylContact C-O 3.58Å; V158-L168 WeakPolarHBondContact CA-O 3.07Å; C159-L168 PolarHBondContact N-O 2.81Å; C159-L168 PolarHBondContact O-N 3.46Å; R161-L168 HydrophobicContact CB-CD1 4.14Å; E166-L168 HydrophobicContact CB-CD1 4.28Å; L168-V176 HydrophobicContact CD2-CG1 4.47Å; L168-R177 CarbonylContact C-O 3.58Å; L168-R177 VanDerWaalsContact CA-O 3.25Å; L168-R177 WeakPolarHBondContact CA-O 3.33Å; L168-M178 HydrophobicContact CD2-CG 4.18Å; L168-M178 HydrophobicContact CG-CG 4.02Å; L168-L210 HydrophobicContact CB-CD2 3.61Å; L168-L210 HydrophobicContact CB-CG 4.48Å; L168-T212 HydrophobicContact CD1-CG2 4.23Å; L168-T212 HydrophobicContact CD2-CG2 4Å; L168-M217 HydrophobicContact CD2-CG 4.28Å; L168-M217 HydrophobicContact CD2-SD 3.61Å; L168-L230 HydrophobicContact CD2-CD2 3.93Å
169S97.5Very high90.6Very high0 Ų030.9 Ų30.90%014%0.142CC..EExtended strand (participates in β ladder)trans-135.2140.6175.459.60000111.7H151 C157 V176 R177 W179H151-S169 PolarHBondContact CD2-OG 2.96Å; H151-S169 PolarHBondContact NE2-OG 2.96Å; C157-S169 CarbonylContact O-C 3.53Å; C157-S169 VanDerWaalsContact O-CA 3.3Å; C157-S169 WeakPolarHBondContact O-CA 3.39Å; S169-V176 CarbonylContact O-C 3.53Å; S169-V176 VanDerWaalsContact O-CA 3.24Å; S169-V176 WeakPolarHBondContact O-CA 3.41Å; S169-R177 PolarHBondContact N-O 3.32Å; S169-R177 PolarHBondContact O-N 2.83Å; S169-W179 PolarHBondContact OG-NE1 2.88Å
170G97.5Very high90.1Very high0 Ų032.5 Ų32.50%015%0.149CC..EExtended strand (participates in β ladder)trans-114.9139.8172.600000111.1H156 C157H156-G170 PolarHBondContact N-O 3.27Å; C157-G170 PolarHBondContact N-O 2.93Å; C157-G170 PolarHBondContact O-N 3.01Å
171S97.8Very high89.4Confident0 Ų034 Ų340%016%0.16CC..EExtended strand (participates in β ladder)trans-131.8162.4-170.2167.80000113.1H151 D153 Y154 D173 G174 A175 I207H151-S171 VanDerWaalsContact CE1-CB 3.43Å; H151-S171 WeakPolarHBondContact CE1-CB 3.45Å; H151-S171 WeakPolarHBondContact ND1-CB 3.21Å; D153-S171 PolarHBondContact O-OG 2.9Å; Y154-S171 CarbonylContact O-C 3.55Å; Y154-S171 WeakPolarHBondContact O-CA 3.36Å; Y154-S171 VanDerWaalsContact O-CB 3.29Å; Y154-S171 WeakPolarHBondContact O-CB 3.43Å; Y154-S171 PolarHBondContact O-OG 3.11Å; S171-D173 VanDerWaalsContact CB-OD1 3.28Å; S171-D173 WeakPolarHBondContact CB-OD1 3.29Å; S171-D173 PolarHBondContact O-N 3.4Å; S171-D173 VanDerWaalsContact OG-CG 3.25Å; S171-D173 PolarHBondContact OG-N 3.23Å; S171-D173 VanDerWaalsContact OG-N 3.09Å; S171-D173 PolarHBondContact OG-OD1 2.85Å; S171-G174 PolarHBondContact O-N 2.83Å; S171-G174 VanDerWaalsContact O-N 3.14Å; S171-A175 PolarHBondContact N-O 3.47Å; S171-I207 PolarHBondContact O-N 3.4Å
172E97.6Very high88.9Confident60 Ų6043.6 Ų43.628%0.2820%0.197SC..THydrogen-bonded Turntrans-55.3-26.1166.3-169.964.2-142.900112.2D153 Y154 H156 G174 W206D153-E172 HydrophobicContact CB-CB 3.89Å; D153-E172 HydrophobicContact CB-CG 4.39Å; Y154-E172 PolarHBondContact O-N 3.19Å; H156-E172 PolarHBondContact CD2-N 3.48Å; H156-E172 IonicContact CD2-OE2 3.19Å; H156-E172 IonicContact CE1-OE2 2.8Å; H156-E172 IonicContact NE2-OE2 3.95Å; H156-E172 PolarHBondContact NE2-OE2 3.01Å; E172-G174 PolarHBondContact O-N 3.38Å; E172-W206 VanDerWaalsContact CD-CB 3.45Å; E172-W206 HydrophobicContact CG-CB 4.46Å; E172-W206 WeakPolarHBondContact OE1-CB 3.13Å; E172-W206 WeakPolarHBondContact OE2-CB 3.45Å
173D96.6Very high89.3Confident11 Ų1140.1 Ų40.16%0.05919%0.185CC..THydrogen-bonded Turntrans-64.7-14.4176.769.313.5000113.8H151 T152 D153 S171 A175 K205H151-D173 WeakPolarHBondContact CA-OD2 3.25Å; H151-D173 IonicContact CE1-OD1 3.36Å; H151-D173 IonicContact CE1-OD2 2.61Å; H151-D173 IonicContact CG-OD2 3.63Å; H151-D173 IonicContact ND1-OD1 2.79Å; H151-D173 PolarHBondContact ND1-OD1 2.94Å; H151-D173 IonicContact ND1-OD2 2.9Å; H151-D173 PolarHBondContact ND1-OD2 3.48Å; T152-D173 PolarHBondContact N-OD2 2.99Å; T152-D173 VanDerWaalsContact N-OD2 3.14Å; T152-D173 WeakPolarHBondContact OG1-CB 3.47Å; D153-D173 HydrophobicContact CB-CB 4Å; S171-D173 VanDerWaalsContact CB-OD1 3.28Å; S171-D173 WeakPolarHBondContact CB-OD1 3.29Å; S171-D173 PolarHBondContact O-N 3.4Å; S171-D173 VanDerWaalsContact OG-CG 3.25Å; S171-D173 PolarHBondContact OG-N 3.23Å; S171-D173 VanDerWaalsContact OG-N 3.09Å; S171-D173 PolarHBondContact OG-OD1 2.85Å; D173-A175 WeakPolarHBondContact OD1-CB 3.38Å; D173-A175 PolarHBondContact OD1-N 3.36Å; D173-K205 WeakPolarHBondContact O-CD 3.49Å; D173-K205 VanDerWaalsContact O-CE 3.26Å; D173-K205 WeakPolarHBondContact O-CE 3.44Å; D173-K205 PolarHBondContact O-NZ 3.03Å
174G95.8Very high89.8Confident0 Ų032.9 Ų32.90%017%0.165CC..SBendtrans82.418.6178.200000114.7S171 E172 V192 H193 K205S171-G174 PolarHBondContact O-N 2.83Å; S171-G174 VanDerWaalsContact O-N 3.14Å; E172-G174 PolarHBondContact O-N 3.38Å; G174-V192 PolarHBondContact O-N 2.86Å; G174-H193 PolarHBondContact O-ND1 3.29Å; G174-K205 WeakPolarHBondContact CA-O 3.24Å
175A96.9Very high90.6Very high5 Ų535 Ų354%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-109.3147.9172.500000111.9H151 S171 D173 I190 E191H151-A175 PolarHBondContact CE1-O 3.17Å; S171-A175 PolarHBondContact N-O 3.47Å; D173-A175 WeakPolarHBondContact OD1-CB 3.38Å; D173-A175 PolarHBondContact OD1-N 3.36Å; A175-I190 CarbonylContact C-O 3.59Å; A175-I190 VanDerWaalsContact CA-O 3.28Å; A175-I190 WeakPolarHBondContact CA-O 3.3Å; A175-E191 HydrophobicContact CB-CG 4.29Å
176V97.5Very high91.5Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-102124160.4179.60000108.1L168 S169 C189 I190 V192 I207 L210 M217L168-V176 HydrophobicContact CD2-CG1 4.47Å; S169-V176 CarbonylContact O-C 3.53Å; S169-V176 VanDerWaalsContact O-CA 3.24Å; S169-V176 WeakPolarHBondContact O-CA 3.41Å; V176-C189 WeakPolarHBondContact O-CA 3.14Å; V176-I190 HydrophobicContact CB-CB 4.42Å; V176-I190 PolarHBondContact N-O 3.33Å; V176-I190 PolarHBondContact O-N 2.85Å; V176-V192 HydrophobicContact CG2-CG2 4.24Å; V176-I207 HydrophobicContact CG2-CG1 4.34Å; V176-I207 HydrophobicContact CG2-CG2 4.15Å; V176-L210 HydrophobicContact CG1-CD1 4Å; V176-L210 HydrophobicContact CG1-CD2 4.12Å; V176-L210 HydrophobicContact CG2-CD1 4.27Å; V176-M217 HydrophobicContact CG1-SD 3.83Å
177R96.9Very high91.8Very high50 Ų5037.5 Ų37.519%0.18919%0.192CC..EExtended strand (participates in β ladder)trans-105.9138.5175.8-72-178.3174-87.62.3110.4G150 L168 S169 W179 S186 H188G150-R177 VanDerWaalsContact C-NE 3.3Å; G150-R177 PolarHBondContact O-NE 2.94Å; G150-R177 PolarHBondContact O-NH2 2.91Å; L168-R177 CarbonylContact C-O 3.58Å; L168-R177 VanDerWaalsContact CA-O 3.25Å; L168-R177 WeakPolarHBondContact CA-O 3.33Å; S169-R177 PolarHBondContact N-O 3.32Å; S169-R177 PolarHBondContact O-N 2.83Å; R177-W179 HydrophobicContact CB-CZ2 3.77Å; R177-W179 VanDerWaalsContact CD-CZ2 3.45Å; R177-W179 HydrophobicContact CG-CZ2 4.27Å; R177-S186 PolarHBondContact NH1-OG 2.78Å; R177-H188 WeakPolarHBondContact CA-O 3.44Å
178M95.2Very high91.8Very high4 Ų441.4 Ų41.42%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-103.6135169-53.817860.800108.3E166 L167 L168 S186 V187 H188 L230 L233E166-M178 WeakPolarHBondContact OE2-CE 3.46Å; L167-M178 CarbonylContact O-C 3.57Å; L167-M178 WeakPolarHBondContact O-CA 3.49Å; L168-M178 HydrophobicContact CD2-CG 4.18Å; L168-M178 HydrophobicContact CG-CG 4.02Å; M178-S186 CarbonylContact O-C 3.51Å; M178-S186 WeakPolarHBondContact O-CA 3.39Å; M178-V187 PolarHBondContact O-N 3.25Å; M178-H188 HydrophobicContact CB-CB 4.1Å; M178-H188 HydrophobicContact CG-CB 4.08Å; M178-H188 PolarHBondContact N-O 3.28Å; M178-H188 HydrophobicContact SD-CB 3.81Å; M178-L230 HydrophobicContact CE-CD2 4.29Å; M178-L230 HydrophobicContact SD-CD2 4.28Å; M178-L233 HydrophobicContact SD-CD2 3.86Å
179W93.6Very high91.7Very high1 Ų144.3 Ų44.30%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-120.7135-173.6-53.693.3000111.2L148 Q149 L167 S169 R177 C181 Q185L148-W179 HydrophobicContact CB-CD2 3.98Å; L148-W179 HydrophobicContact CB-CE3 3.71Å; L148-W179 HydrophobicContact CB-CH2 4.13Å; L148-W179 HydrophobicContact CB-CZ2 4.38Å; L148-W179 HydrophobicContact CB-CZ3 3.79Å; L148-W179 HydrophobicContact CD1-CB 3.85Å; L148-W179 HydrophobicContact CD1-CD2 3.89Å; L148-W179 HydrophobicContact CD1-CE3 4.21Å; L148-W179 HydrophobicContact CD1-CG 3.72Å; L148-W179 HydrophobicContact CD2-CE3 4.45Å; L148-W179 HydrophobicContact CG-CD2 4.47Å; L148-W179 HydrophobicContact CG-CE3 4.36Å; Q149-W179 WeakPolarHBondContact O-CH2 3.39Å; Q149-W179 WeakPolarHBondContact O-CZ3 3.43Å; L167-W179 HydrophobicContact CB-CB 4.26Å; L167-W179 PolarHBondContact N-O 2.72Å; L167-W179 PolarHBondContact O-N 2.87Å; S169-W179 PolarHBondContact OG-NE1 2.88Å; R177-W179 HydrophobicContact CB-CZ2 3.77Å; R177-W179 VanDerWaalsContact CD-CZ2 3.45Å; R177-W179 HydrophobicContact CG-CZ2 4.27Å; W179-C181 PolarHBondContact O-N 2.96Å; W179-Q185 WeakPolarHBondContact CA-O 2.97Å
180D85.9Confident91.6Very high52 Ų5244.6 Ų44.628%0.27823%0.231SC..EExtended strand (participates in β ladder)trans-83.5107.4164.4172.62.7000108.2R182 T183 G184 Q185 V187D180-R182 PolarHBondContact O-N 2.96Å; D180-R182 VanDerWaalsContact O-N 3.14Å; D180-R182 VanDerWaalsContact OD1-CB 3.3Å; D180-R182 WeakPolarHBondContact OD1-CB 3.27Å; D180-R182 PolarHBondContact OD1-N 3.36Å; D180-T183 WeakPolarHBondContact CB-OG1 3.48Å; D180-T183 PolarHBondContact O-N 2.88Å; D180-T183 VanDerWaalsContact OD2-CG2 3.23Å; D180-T183 WeakPolarHBondContact OD2-CG2 3.47Å; D180-T183 PolarHBondContact OD2-OG1 3.24Å; D180-G184 WeakPolarHBondContact O-CA 3.32Å; D180-G184 PolarHBondContact O-N 2.8Å; D180-Q185 PolarHBondContact N-O 3.3Å; D180-V187 HydrophobicContact CB-CG2 3.66Å; D180-V187 VanDerWaalsContact N-CG2 3.3Å
181C75.5Confident91.6Very high48 Ų4848.1 Ų48.132%0.32425%0.248SC..THydrogen-bonded Turntrans-60.7-21.4-178.8-62.70000113.6A165 W179A165-C181 PolarHBondContact O-SG 3.37Å; W179-C181 PolarHBondContact O-N 2.96Å
182R78.8Confident91.4Very high213 Ų21348.1 Ų48.180%0.80425%0.248SC*.THydrogen-bonded Turntrans-81.8-39.9179.9-173.1-177.264104.24.4112.2D180D180-R182 PolarHBondContact O-N 2.96Å; D180-R182 VanDerWaalsContact O-N 3.14Å; D180-R182 VanDerWaalsContact OD1-CB 3.3Å; D180-R182 WeakPolarHBondContact OD1-CB 3.27Å; D180-R182 PolarHBondContact OD1-N 3.36Å
183T82.3Confident91.2Very high65 Ų6547.9 Ų47.940%0.39925%0.247SC..THydrogen-bonded Turntrans-94.7-18.8-178.957.90000112.8D180 Q185D180-T183 WeakPolarHBondContact CB-OG1 3.48Å; D180-T183 PolarHBondContact O-N 2.88Å; D180-T183 VanDerWaalsContact OD2-CG2 3.23Å; D180-T183 WeakPolarHBondContact OD2-CG2 3.47Å; D180-T183 PolarHBondContact OD2-OG1 3.24Å; T183-Q185 PolarHBondContact O-N 3.39Å; T183-Q185 PolarHBondContact OG1-N 3.09Å
184G82.1Confident91.1Very high24 Ų2453.5 Ų53.525%0.24727%0.271CS..THydrogen-bonded Turntrans71.413.9-174.300000113.7L148 D180L148-G184 WeakPolarHBondContact CD2-O 3.33Å; D180-G184 WeakPolarHBondContact O-CA 3.32Å; D180-G184 PolarHBondContact O-N 2.8Å
185Q87.6Confident91Very high138 Ų13857.8 Ų57.865%0.64529%0.287SS*.EExtended strand (participates in β ladder)trans-100.7148.3-176.2-64.1-169.5-1000111.9W179 D180 T183 V187W179-Q185 WeakPolarHBondContact CA-O 2.97Å; D180-Q185 PolarHBondContact N-O 3.3Å; T183-Q185 PolarHBondContact O-N 3.39Å; T183-Q185 PolarHBondContact OG1-N 3.09Å; Q185-V187 PolarHBondContact O-N 3.48Å
186S91.9Very high90.8Very high39 Ų3966.5 Ų66.527%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-75.2117.9170.8-176.60000108.6R177 M178 H188R177-S186 PolarHBondContact NH1-OG 2.78Å; M178-S186 CarbonylContact O-C 3.51Å; M178-S186 WeakPolarHBondContact O-CA 3.39Å; S186-H188 PolarHBondContact OG-O 2.82Å
187V91.4Very high90.6Very high78 Ų7869.8 Ų69.847%0.47335%0.35SS..EExtended strand (participates in β ladder)trans-88.5-39.1-177.1-1460000110.7M178 D180 Q185M178-V187 PolarHBondContact O-N 3.25Å; D180-V187 HydrophobicContact CB-CG2 3.66Å; D180-V187 VanDerWaalsContact N-CG2 3.3Å; Q185-V187 PolarHBondContact O-N 3.48Å
188H92.9Very high90.5Very high81 Ų8167.4 Ų67.438%0.37534%0.341SS..EExtended strand (participates in β ladder)trans-137.1152.2177.9-64.6-57.4000111.3R177 M178 S186 L233R177-H188 WeakPolarHBondContact CA-O 3.44Å; M178-H188 HydrophobicContact CB-CB 4.1Å; M178-H188 HydrophobicContact CG-CB 4.08Å; M178-H188 PolarHBondContact N-O 3.28Å; M178-H188 HydrophobicContact SD-CB 3.81Å; S186-H188 PolarHBondContact OG-O 2.82Å; H188-L233 HydrophobicContact CB-CD1 4.19Å
189C94.9Very high90.4Very high62 Ų6268.9 Ų68.942%0.41935%0.354SS..EExtended strand (participates in β ladder)trans-137.5120.7176.7-174.90000108.5V176V176-C189 WeakPolarHBondContact O-CA 3.14Å
190I96.2Very high90.4Very high5 Ų570 Ų703%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-111.8109178.3-55172.5000108.1A175 V176 V192 Y195 M217 W228 L233A175-I190 CarbonylContact C-O 3.59Å; A175-I190 VanDerWaalsContact CA-O 3.28Å; A175-I190 WeakPolarHBondContact CA-O 3.3Å; V176-I190 HydrophobicContact CB-CB 4.42Å; V176-I190 PolarHBondContact N-O 3.33Å; V176-I190 PolarHBondContact O-N 2.85Å; I190-V192 HydrophobicContact CG2-CG2 3.97Å; I190-V192 PolarHBondContact O-N 3.15Å; I190-Y195 HydrophobicContact CG2-CE2 4.46Å; I190-M217 HydrophobicContact CD1-CE 3.78Å; I190-W228 HydrophobicContact CD1-CE3 4.34Å; I190-W228 HydrophobicContact CG2-CE3 3.9Å; I190-W228 HydrophobicContact CG2-CH2 3.63Å; I190-W228 HydrophobicContact CG2-CZ2 4.3Å; I190-W228 HydrophobicContact CG2-CZ3 3.38Å; I190-L233 HydrophobicContact CD1-CB 4.44Å; I190-L233 HydrophobicContact CD1-CD2 3.82Å; I190-L233 HydrophobicContact CG1-CD2 4.24Å
191E95.8Very high90.8Very high75 Ų7572.7 Ų72.735%0.3538%0.379SS..EExtended strand (participates in β ladder)trans-87.484.1173.8-67.2167.9124.500109.7A175 H193 K194A175-E191 HydrophobicContact CB-CG 4.29Å; E191-H193 PolarHBondContact O-N 2.95Å; E191-H193 VanDerWaalsContact O-N 3.14Å; E191-K194 HydrophobicContact CB-CB 4.46Å; E191-K194 HydrophobicContact CB-CD 3.93Å; E191-K194 HydrophobicContact CB-CG 3.97Å; E191-K194 WeakPolarHBondContact O-CB 3.37Å; E191-K194 PolarHBondContact O-N 3.07Å; E191-K194 WeakPolarHBondContact OE1-CE 3.38Å; E191-K194 IonicContact OE1-NZ 3.7Å; E191-K194 PolarHBondContact OE1-NZ 3.13Å; E191-K194 VanDerWaalsContact OE2-CD 3.26Å; E191-K194 WeakPolarHBondContact OE2-CD 3.45Å; E191-K194 WeakPolarHBondContact OE2-CE 3.43Å; E191-K194 IonicContact OE2-NZ 3.93Å; E191-K194 PolarHBondContact OE2-NZ 3.06Å
192V94.8Very high91.6Very high0 Ų077.1 Ų77.10%039%0.394CS..G310 helixtrans-55-37.1-172.6176.40000112.4G174 V176 I190 K194 Y195 C198 I207 P223 W228G174-V192 PolarHBondContact O-N 2.86Å; V176-V192 HydrophobicContact CG2-CG2 4.24Å; I190-V192 HydrophobicContact CG2-CG2 3.97Å; I190-V192 PolarHBondContact O-N 3.15Å; V192-K194 PolarHBondContact O-N 3.4Å; V192-Y195 PolarHBondContact O-N 3.06Å; V192-C198 HydrophobicContact CG1-CB 3.97Å; V192-I207 HydrophobicContact CB-CD1 4.2Å; V192-I207 HydrophobicContact CG2-CD1 4.39Å; V192-P223 HydrophobicContact CG1-CB 3.75Å; V192-P223 HydrophobicContact CG1-CG 4.19Å; V192-W228 HydrophobicContact CB-CZ2 4.31Å; V192-W228 HydrophobicContact CG1-CZ2 3.99Å; V192-W228 HydrophobicContact CG2-CZ2 4.01Å
193H93Very high92.3Very high55 Ų5570.1 Ų70.126%0.25537%0.371SS..G310 helixtrans-67.1-14.2-179.668.6-87.6000114.4G174 E191 A199 K205 P223G174-H193 PolarHBondContact O-ND1 3.29Å; E191-H193 PolarHBondContact O-N 2.95Å; E191-H193 VanDerWaalsContact O-N 3.14Å; H193-A199 WeakPolarHBondContact O-CB 3.42Å; H193-K205 HydrophobicContact CB-CB 3.82Å; H193-P223 HydrophobicContact CB-CG 4.34Å
194K94.1Very high92.9Very high129 Ų12968.8 Ų68.856%0.56137%0.37SS*.G310 helixtrans-82.6-13.7175.7-66.5-170.8-179.5171.80113.3E191 V192E191-K194 HydrophobicContact CB-CB 4.46Å; E191-K194 HydrophobicContact CB-CD 3.93Å; E191-K194 HydrophobicContact CB-CG 3.97Å; E191-K194 WeakPolarHBondContact O-CB 3.37Å; E191-K194 PolarHBondContact O-N 3.07Å; E191-K194 WeakPolarHBondContact OE1-CE 3.38Å; E191-K194 IonicContact OE1-NZ 3.7Å; E191-K194 PolarHBondContact OE1-NZ 3.13Å; E191-K194 VanDerWaalsContact OE2-CD 3.26Å; E191-K194 WeakPolarHBondContact OE2-CD 3.45Å; E191-K194 WeakPolarHBondContact OE2-CE 3.43Å; E191-K194 IonicContact OE2-NZ 3.93Å; E191-K194 PolarHBondContact OE2-NZ 3.06Å; V192-K194 PolarHBondContact O-N 3.4Å
195Y94.4Very high93.6Very high90 Ų9071.9 Ų71.935%0.35338%0.376SS..SBendtrans-87.4115.8177.8-69-105.2000109.4I190 V192 S197 C198 A199 W228 L233 P235I190-Y195 HydrophobicContact CG2-CE2 4.46Å; V192-Y195 PolarHBondContact O-N 3.06Å; Y195-S197 PolarHBondContact O-N 2.97Å; Y195-S197 VanDerWaalsContact O-N 3.14Å; Y195-C198 PolarHBondContact O-N 2.79Å; Y195-A199 WeakPolarHBondContact O-CB 3.28Å; Y195-A199 PolarHBondContact O-N 3.34Å; Y195-W228 HydrophobicContact CD1-CH2 4.03Å; Y195-W228 AromaticContact CD2-CH2 3.56Å; Y195-W228 HydrophobicContact CD2-CH2 3.56Å; Y195-W228 HydrophobicContact CD2-CZ2 4.43Å; Y195-W228 HydrophobicContact CD2-CZ3 4.41Å; Y195-W228 HydrophobicContact CE1-CH2 4Å; Y195-W228 HydrophobicContact CE1-CZ3 4.14Å; Y195-W228 AromaticContact CE2-CH2 3.55Å; Y195-W228 HydrophobicContact CE2-CH2 3.55Å; Y195-W228 AromaticContact CE2-CZ3 3.97Å; Y195-W228 HydrophobicContact CE2-CZ3 3.97Å; Y195-W228 AromaticContact CG-CH2 3.79Å; Y195-W228 HydrophobicContact CG-CH2 3.79Å; Y195-W228 AromaticContact CZ-CH2 3.76Å; Y195-W228 AromaticContact CZ-CZ3 3.8Å; Y195-L233 PolarHBondContact OH-O 3.14Å; Y195-P235 HydrophobicContact CD1-CG 3.77Å; Y195-P235 HydrophobicContact CE1-CG 4.22Å; Y195-P235 HydrophobicContact CG-CG 4.45Å
196E92.5Very high94Very high187 Ų18767.1 Ų67.187%0.87435%0.352SS*.THydrogen-bonded Turntrans-55.1-35.9-176.3-65.5-178.2173.300113C198E196-C198 PolarHBondContact O-N 3.38Å
197S92.8Very high94.3Very high70 Ų7065.2 Ų65.249%0.4934%0.339SS..THydrogen-bonded Turntrans-63.5-26.9176.956.90000113.7Y195Y195-S197 PolarHBondContact O-N 2.97Å; Y195-S197 VanDerWaalsContact O-N 3.14Å
198C94.1Very high94.5Very high0 Ų062.4 Ų62.40%032%0.323CS..THydrogen-bonded Turntrans-105.3-23.1-176.2-58.10000112.4V192 Y195 E196 R200 P223 S224V192-C198 HydrophobicContact CG1-CB 3.97Å; Y195-C198 PolarHBondContact O-N 2.79Å; E196-C198 PolarHBondContact O-N 3.38Å; C198-R200 PolarHBondContact O-N 3.16Å; C198-P223 CarbonylContact O-C 3.59Å; C198-P223 WeakPolarHBondContact O-CA 3.29Å; C198-P223 WeakPolarHBondContact O-CB 3.38Å; C198-S224 PolarHBondContact O-N 3.26Å
199A93.5Very high94.5Very high34 Ų3458.6 Ų58.628%0.28131%0.306SS..  trans-66129.5-17300000111.9H193 Y195H193-A199 WeakPolarHBondContact O-CB 3.42Å; Y195-A199 WeakPolarHBondContact O-CB 3.28Å; Y195-A199 PolarHBondContact O-N 3.34Å
200R94.9Very high94.5Very high24 Ų2456 Ų569%0.09129%0.287CS..  trans-132.379171.8-64.9-169.7-62.2-1723.8109.6C198 Q202 H203 G221 G222 P223 S224 L241 G243C198-R200 PolarHBondContact O-N 3.16Å; R200-Q202 VanDerWaalsContact C-OE1 3.22Å; R200-Q202 PolarHBondContact O-N 2.87Å; R200-H203 PolarHBondContact O-N 2.77Å; R200-G221 PolarHBondContact NH2-O 3.37Å; R200-G221 VanDerWaalsContact NH2-O 3.14Å; R200-G222 PolarHBondContact NE-O 3.25Å; R200-G222 PolarHBondContact NH2-O 2.93Å; R200-P223 PolarHBondContact NH2-O 3.49Å; R200-S224 WeakPolarHBondContact CD-OG 2.98Å; R200-S224 WeakPolarHBondContact CG-OG 3.45Å; R200-L241 PolarHBondContact NH1-O 2.68Å; R200-G243 PolarHBondContact NH1-O 3.16Å; R200-G243 PolarHBondContact NH2-O 2.88Å
201P92.7Very high94.4Very high110 Ų11056.9 Ų56.971%0.71429%0.293SS*.G310 helixtrans-54.4-32.1-171.7-26.735.1000114.2H203 G204P201-H203 PolarHBondContact O-N 2.89Å; P201-G204 PolarHBondContact O-N 2.69Å
202Q94Very high94.2Very high140 Ų14054.4 Ų54.465%0.65428%0.283SS*.G310 helixtrans-63.4-21.6178.869.2-82.41700114.5R200R200-Q202 VanDerWaalsContact C-OE1 3.22Å; R200-Q202 PolarHBondContact O-N 2.87Å
203H93.5Very high94.1Very high67 Ų6757.9 Ų57.931%0.3130%0.302SS..G310 helixtrans-104.2-3.7179.6-68-57.6000113R200 P201 W206R200-H203 PolarHBondContact O-N 2.77Å; P201-H203 PolarHBondContact O-N 2.89Å; H203-W206 PolarHBondContact O-NE1 2.61Å
204G94.5Very high93.8Very high36 Ų3657.7 Ų57.737%0.37131%0.307SS..  trans81.9-171.4-173.300000113.3P201P201-G204 PolarHBondContact O-N 2.69Å
205K96.1Very high93.6Very high89 Ų8953.8 Ų53.839%0.38729%0.292SS..SBendtrans-109.9-8.7-168.663.1177-176.6155.30115.1D173 G174 H193D173-K205 WeakPolarHBondContact O-CD 3.49Å; D173-K205 VanDerWaalsContact O-CE 3.26Å; D173-K205 WeakPolarHBondContact O-CE 3.44Å; D173-K205 PolarHBondContact O-NZ 3.03Å; G174-K205 WeakPolarHBondContact CA-O 3.24Å; H193-K205 HydrophobicContact CB-CB 3.82Å
206W96.7Very high93.6Very high38 Ų3853.5 Ų53.514%0.14429%0.29CS..  trans-61.4143.2-172.853.2-86.5000114.2E172 H203 S208 G221 G222 P223 C244E172-W206 VanDerWaalsContact CD-CB 3.45Å; E172-W206 HydrophobicContact CG-CB 4.46Å; E172-W206 WeakPolarHBondContact OE1-CB 3.13Å; E172-W206 WeakPolarHBondContact OE2-CB 3.45Å; H203-W206 PolarHBondContact O-NE1 2.61Å; W206-S208 VanDerWaalsContact CZ3-OG 3.3Å; W206-S208 WeakPolarHBondContact CZ3-OG 3.46Å; W206-G221 WeakPolarHBondContact O-CA 3.46Å; W206-G222 PolarHBondContact O-N 3.14Å; W206-P223 WeakPolarHBondContact O-CD 3.48Å; W206-C244 HydrophobicContact CH2-CB 3.46Å; W206-C244 VanDerWaalsContact CH2-CB 3.46Å; W206-C244 HydrophobicContact CZ2-CB 3.67Å
207I97.4Very high93.7Very high0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-108.9116.4177.6-54.1-52000109.5H156 S171 V176 V192 C219 P223H156-I207 VanDerWaalsContact CB-O 3.28Å; H156-I207 WeakPolarHBondContact CB-O 3.46Å; S171-I207 PolarHBondContact O-N 3.4Å; V176-I207 HydrophobicContact CG2-CG1 4.34Å; V176-I207 HydrophobicContact CG2-CG2 4.15Å; V192-I207 HydrophobicContact CB-CD1 4.2Å; V192-I207 HydrophobicContact CG2-CD1 4.39Å; I207-C219 VanDerWaalsContact CG2-SG 3.53Å; I207-P223 HydrophobicContact CD1-CG 3.91Å
208S94.8Very high93.9Very high18 Ų1841.2 Ų41.213%0.12623%0.225CC..EExtended strand (participates in β ladder)trans-109.9-18.8178.755.90000114.2C157 W206 G220 G221 Q245C157-S208 WeakPolarHBondContact CB-O 3.11Å; W206-S208 VanDerWaalsContact CZ3-OG 3.3Å; W206-S208 WeakPolarHBondContact CZ3-OG 3.46Å; S208-G220 PolarHBondContact N-O 2.64Å; S208-G221 WeakPolarHBondContact OG-CA 3.41Å; S208-Q245 PolarHBondContact OG-O 3.31Å
209C92.9Very high94Very high2 Ų241.2 Ų41.21%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-122.1122.4-174.3172.30000110.2C219 G220 R247 A248C209-C219 WeakPolarHBondContact O-CA 3.29Å; C209-G220 PolarHBondContact N-O 2.69Å; C209-G220 PolarHBondContact O-N 3.26Å; C209-R247 VanDerWaalsContact SG-C 3.59Å; C209-A248 WeakPolarHBondContact SG-CB 3.26Å; C209-A248 PolarHBondContact SG-N 3.21Å
210L95.3Very high94.1Very high6 Ų639.6 Ų39.63%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-141.5127.6175.1-168.664.5000109.9C157 C159 L168 V176 M217 L218C157-L210 HydrophobicContact CB-CB 4.3Å; C157-L210 VanDerWaalsContact SG-CB 3.55Å; C159-L210 HydrophobicContact CB-CD2 4.31Å; C159-L210 HydrophobicContact CB-CG 4.2Å; L168-L210 HydrophobicContact CB-CD2 3.61Å; L168-L210 HydrophobicContact CB-CG 4.48Å; V176-L210 HydrophobicContact CG1-CD1 4Å; V176-L210 HydrophobicContact CG1-CD2 4.12Å; V176-L210 HydrophobicContact CG2-CD1 4.27Å; L210-M217 HydrophobicContact CD1-CG 3.61Å; L210-M217 HydrophobicContact CD1-SD 3.61Å; L210-L218 WeakPolarHBondContact CA-O 3.39Å
211T94.2Very high94.1Very high25 Ų2538.5 Ų38.515%0.15321%0.208CC..EExtended strand (participates in β ladder)trans-147.8149.9171.6-173.20000109.9M217 L218 A248 F250T211-M217 WeakPolarHBondContact O-CA 3.29Å; T211-L218 HydrophobicContact CG2-CB 3.68Å; T211-L218 HydrophobicContact CG2-CD1 3.83Å; T211-L218 HydrophobicContact CG2-CG 4.34Å; T211-L218 PolarHBondContact N-O 2.9Å; T211-L218 VanDerWaalsContact N-O 3.15Å; T211-L218 PolarHBondContact O-N 3.29Å; T211-A248 WeakPolarHBondContact CG2-O 3.43Å; T211-F250 HydrophobicContact CG2-CD2 3.87Å; T211-F250 HydrophobicContact CG2-CE2 3.86Å
212T93.2Very high94.1Very high22 Ų2233.2 Ų33.214%0.13517%0.174CC..EExtended strand (participates in β ladder)trans-124.6142.1-178.759.60000110.5I160 L168 W216 M217 L230I160-T212 PolarHBondContact O-OG1 2.84Å; L168-T212 HydrophobicContact CD1-CG2 4.23Å; L168-T212 HydrophobicContact CD2-CG2 4Å; T212-W216 CarbonylContact C-O 3.59Å; T212-W216 VanDerWaalsContact CA-O 3.27Å; T212-W216 WeakPolarHBondContact CA-O 3.42Å; T212-M217 HydrophobicContact CG2-CB 4.43Å; T212-M217 HydrophobicContact CG2-CG 4.45Å; T212-L230 HydrophobicContact CG2-CD1 4.36Å
213D90.9Very high94.2Very high74 Ų7426.6 Ų26.640%0.39614%0.143SC..EExtended strand (participates in β ladder)trans-135.8113.5165.8178.219.7000108.9D215 W216 F250D213-D215 PolarHBondContact O-N 2.81Å; D213-W216 PolarHBondContact N-O 2.91Å; D213-W216 WeakPolarHBondContact O-CB 3.41Å; D213-W216 PolarHBondContact O-N 2.83Å; D213-F250 HydrophobicContact CB-CB 4.23Å; D213-F250 HydrophobicContact CB-CD1 4.19Å; D213-F250 HydrophobicContact CB-CD2 3.48Å; D213-F250 VanDerWaalsContact CB-CD2 3.48Å; D213-F250 HydrophobicContact CB-CE1 4.4Å; D213-F250 HydrophobicContact CB-CE2 3.73Å; D213-F250 HydrophobicContact CB-CG 3.71Å; D213-F250 HydrophobicContact CB-CZ 4.17Å
214S87.5Confident94.3Very high51 Ų5124.2 Ų24.236%0.35713%0.134SC..THydrogen-bonded Turntrans54.6-103.9-179.2-58.10000112.8R161R161-S214 PolarHBondContact NE-O 3.37Å
215D90.4Very high94.4Very high47 Ų4722.6 Ų22.625%0.25112%0.116SC..THydrogen-bonded Turntrans-1024-179.7-66.5-25.2000112.8R161 D213 L230R161-D215 IonicContact CZ-OD1 2.77Å; R161-D215 IonicContact NH2-OD1 2.68Å; R161-D215 PolarHBondContact NH2-OD1 3Å; D213-D215 PolarHBondContact O-N 2.81Å; D215-L230 WeakPolarHBondContact O-CB 3.4Å; D215-L230 PolarHBondContact O-N 2.79Å
216W93.4Very high94.4Very high83 Ų8318.3 Ų18.331%0.31410%0.098SC..EExtended strand (participates in β ladder)trans-106.4144.9-177.4-61.5102.9000111.6T212 D213 L227 W228 H229 T236 F250T212-W216 CarbonylContact C-O 3.59Å; T212-W216 VanDerWaalsContact CA-O 3.27Å; T212-W216 WeakPolarHBondContact CA-O 3.42Å; D213-W216 PolarHBondContact N-O 2.91Å; D213-W216 WeakPolarHBondContact O-CB 3.41Å; D213-W216 PolarHBondContact O-N 2.83Å; W216-L227 HydrophobicContact CB-CD1 4Å; W216-L227 HydrophobicContact CD2-CD1 4.34Å; W216-L227 HydrophobicContact CD2-CD2 4.38Å; W216-L227 HydrophobicContact CD2-CG 4.43Å; W216-L227 HydrophobicContact CE3-CD1 3.9Å; W216-L227 HydrophobicContact CE3-CD2 3.79Å; W216-L227 HydrophobicContact CE3-CG 3.62Å; W216-L227 HydrophobicContact CG-CD1 4.41Å; W216-L227 HydrophobicContact CZ3-CD2 3.93Å; W216-L227 HydrophobicContact CZ3-CG 4.03Å; W216-W228 WeakPolarHBondContact CA-O 3.46Å; W216-H229 HydrophobicContact CE3-CB 4.32Å; W216-H229 HydrophobicContact CZ3-CB 3.99Å; W216-T236 HydrophobicContact CH2-CG2 4Å; W216-T236 HydrophobicContact CZ3-CG2 3.9Å; W216-T236 WeakPolarHBondContact CZ3-OG1 3.45Å; W216-F250 HydrophobicContact CB-CE1 4.45Å; W216-F250 HydrophobicContact CB-CZ 3.95Å
217M95.3Very high94.4Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-128.3132.1171.9176-171.475.900109.3L168 V176 I190 L210 T211 T212 C219 W228 L230L168-M217 HydrophobicContact CD2-CG 4.28Å; L168-M217 HydrophobicContact CD2-SD 3.61Å; V176-M217 HydrophobicContact CG1-SD 3.83Å; I190-M217 HydrophobicContact CD1-CE 3.78Å; L210-M217 HydrophobicContact CD1-CG 3.61Å; L210-M217 HydrophobicContact CD1-SD 3.61Å; T211-M217 WeakPolarHBondContact O-CA 3.29Å; T212-M217 HydrophobicContact CG2-CB 4.43Å; T212-M217 HydrophobicContact CG2-CG 4.45Å; M217-C219 HydrophobicContact CE-CB 4.31Å; M217-W228 HydrophobicContact CB-CB 4.25Å; M217-W228 HydrophobicContact CE-CB 3.56Å; M217-W228 HydrophobicContact CE-CD2 4.09Å; M217-W228 HydrophobicContact CE-CG 3.56Å; M217-W228 PolarHBondContact N-O 2.94Å; M217-W228 PolarHBondContact O-N 3.46Å; M217-L230 HydrophobicContact CB-CD1 4.27Å; M217-L230 HydrophobicContact CB-CD2 3.61Å; M217-L230 HydrophobicContact CB-CG 3.84Å; M217-L230 HydrophobicContact CG-CD2 4.31Å; M217-L230 HydrophobicContact SD-CD2 3.96Å
218L96.5Very high94.4Very high0 Ų016.7 Ų16.70%09%0.092CC..EExtended strand (participates in β ladder)trans-100.5131166.4-78.3166.1000109.6L210 T211 S226 L227 F239 F250 I255L210-L218 WeakPolarHBondContact CA-O 3.39Å; T211-L218 HydrophobicContact CG2-CB 3.68Å; T211-L218 HydrophobicContact CG2-CD1 3.83Å; T211-L218 HydrophobicContact CG2-CG 4.34Å; T211-L218 PolarHBondContact N-O 2.9Å; T211-L218 VanDerWaalsContact N-O 3.15Å; T211-L218 PolarHBondContact O-N 3.29Å; L218-S226 WeakPolarHBondContact CA-O 3.27Å; L218-L227 HydrophobicContact CD2-CB 4.07Å; L218-L227 HydrophobicContact CD2-CD1 3.81Å; L218-L227 HydrophobicContact CG-CD1 3.97Å; L218-F239 HydrophobicContact CD2-CE2 3.74Å; L218-F239 HydrophobicContact CD2-CZ 4.34Å; L218-F250 HydrophobicContact CB-CE2 4.33Å; L218-F250 HydrophobicContact CB-CZ 4.32Å; L218-F250 HydrophobicContact CD1-CD1 4.04Å; L218-F250 HydrophobicContact CD1-CD2 4Å; L218-F250 HydrophobicContact CD1-CE1 3.65Å; L218-F250 HydrophobicContact CD1-CE2 3.62Å; L218-F250 HydrophobicContact CD1-CG 4.22Å; L218-F250 HydrophobicContact CD1-CZ 3.44Å; L218-F250 VanDerWaalsContact CD1-CZ 3.44Å; L218-F250 HydrophobicContact CG-CE1 3.99Å; L218-F250 HydrophobicContact CG-CE2 3.86Å; L218-F250 HydrophobicContact CG-CZ 3.46Å; L218-F250 VanDerWaalsContact CG-CZ 3.46Å; L218-I255 HydrophobicContact CD1-CB 4.26Å; L218-I255 HydrophobicContact CD1-CD1 3.83Å; L218-I255 HydrophobicContact CD1-CG1 3.81Å; L218-I255 HydrophobicContact CD1-CG2 3.47Å; L218-I255 VanDerWaalsContact CD1-CG2 3.47Å; L218-I255 HydrophobicContact CD2-CD1 3.67Å; L218-I255 HydrophobicContact CD2-CG2 4.37Å; L218-I255 HydrophobicContact CG-CD1 4.23Å
219C96.3Very high94.4Very high0 Ų018.1 Ų18.10%010%0.096CC..EExtended strand (participates in β ladder)trans-128.1133.5178.7-1770000109.9I207 C209 M217 L225 S226I207-C219 VanDerWaalsContact CG2-SG 3.53Å; C209-C219 WeakPolarHBondContact O-CA 3.29Å; M217-C219 HydrophobicContact CE-CB 4.31Å; C219-L225 WeakPolarHBondContact O-CA 3.36Å; C219-S226 PolarHBondContact N-O 2.82Å; C219-S226 PolarHBondContact O-N 3.25Å; C219-S226 PolarHBondContact O-OG 3.19Å
220G95.1Very high94.3Very high0 Ų018.3 Ų18.30%010%0.097CC..EExtended strand (participates in β ladder)trans-154.2164.8177.700000113.2S208 C209S208-G220 PolarHBondContact N-O 2.64Å; C209-G220 PolarHBondContact N-O 2.69Å; C209-G220 PolarHBondContact O-N 3.26Å
221G94.8Very high94Very high0 Ų026.8 Ų26.80%013%0.129CC..EExtended strand (participates in β ladder)trans157.6-126.4-178.400000108.9R200 W206 S208 P223 C244 Q245R200-G221 PolarHBondContact NH2-O 3.37Å; R200-G221 VanDerWaalsContact NH2-O 3.14Å; W206-G221 WeakPolarHBondContact O-CA 3.46Å; S208-G221 WeakPolarHBondContact OG-CA 3.41Å; G221-P223 CarbonylContact C-O 3.56Å; G221-C244 WeakPolarHBondContact O-CA 3.43Å; G221-C244 WeakPolarHBondContact O-CB 3.18Å; G221-Q245 PolarHBondContact N-O 3.26Å
222G94.6Very high93.9Very high0 Ų028.8 Ų28.80%014%0.143CC..SBendtrans-57.9-56.5167.500000111.9R200 W206R200-G222 PolarHBondContact NE-O 3.25Å; R200-G222 PolarHBondContact NH2-O 2.93Å; W206-G222 PolarHBondContact O-N 3.14Å
223P95.5Very high93.9Very high1 Ų129.6 Ų29.61%0.00615%0.147CC..SBendtrans-59.5156.7170.1-23.135000112.7V192 H193 C198 R200 W206 I207 G221V192-P223 HydrophobicContact CG1-CB 3.75Å; V192-P223 HydrophobicContact CG1-CG 4.19Å; H193-P223 HydrophobicContact CB-CG 4.34Å; C198-P223 CarbonylContact O-C 3.59Å; C198-P223 WeakPolarHBondContact O-CA 3.29Å; C198-P223 WeakPolarHBondContact O-CB 3.38Å; R200-P223 PolarHBondContact NH2-O 3.49Å; W206-P223 WeakPolarHBondContact O-CD 3.48Å; I207-P223 HydrophobicContact CD1-CG 3.91Å; G221-P223 CarbonylContact C-O 3.56Å
224S95.1Very high94Very high17 Ų1728.1 Ų28.112%0.11914%0.142CC..PPolyproline II helixtrans-56.5142178-63.20000110.9C198 R200 S226 V238C198-S224 PolarHBondContact O-N 3.26Å; R200-S224 WeakPolarHBondContact CD-OG 2.98Å; R200-S224 WeakPolarHBondContact CG-OG 3.45Å; S224-S226 PolarHBondContact O-N 3.01Å; S224-S226 VanDerWaalsContact O-N 3.15Å; S224-S226 PolarHBondContact O-OG 3.21Å; S224-V238 VanDerWaalsContact CB-CG1 3.4Å
225L96.8Very high94.3Very high1 Ų127.3 Ų27.31%0.00514%0.136CC..PPolyproline II helixtrans-55.9126.4168.4-175.571.7000107.6C219 F239 L241 Q245 A248 A257C219-L225 WeakPolarHBondContact O-CA 3.36Å; L225-F239 HydrophobicContact CB-CB 4.28Å; L225-F239 HydrophobicContact CB-CD2 4.15Å; L225-F239 HydrophobicContact CD2-CB 4.3Å; L225-F239 HydrophobicContact CD2-CD2 3.86Å; L225-F239 HydrophobicContact CD2-CG 4.18Å; L225-F239 HydrophobicContact CG-CD2 3.73Å; L225-F239 HydrophobicContact CG-CE2 4.43Å; L225-F239 HydrophobicContact CG-CG 4.43Å; L225-F239 VanDerWaalsContact O-CD2 3.3Å; L225-F239 WeakPolarHBondContact O-CD2 2.97Å; L225-F239 PolarHBondContact O-N 2.74Å; L225-L241 HydrophobicContact CB-CD1 4.47Å; L225-L241 HydrophobicContact CD2-CD1 3.73Å; L225-Q245 HydrophobicContact CB-CG 3.97Å; L225-A248 HydrophobicContact CD1-CB 4.09Å; L225-A257 HydrophobicContact CD2-CB 3.59Å
226S96.4Very high94.6Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-142.8142.1-172.444.50000110.7L218 C219 S224 W228 S237L218-S226 WeakPolarHBondContact CA-O 3.27Å; C219-S226 PolarHBondContact N-O 2.82Å; C219-S226 PolarHBondContact O-N 3.25Å; C219-S226 PolarHBondContact O-OG 3.19Å; S224-S226 PolarHBondContact O-N 3.01Å; S224-S226 VanDerWaalsContact O-N 3.15Å; S224-S226 PolarHBondContact O-OG 3.21Å; S226-W228 PolarHBondContact OG-NE1 2.99Å; S226-S237 CarbonylContact C-O 3.53Å; S226-S237 WeakPolarHBondContact CA-O 3.35Å
227L96.9Very high94.7Very high2 Ų225.5 Ų25.51%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-96.5128174.5-176.868.1000108.6W216 L218 T236 S237 F239 F250 L269W216-L227 HydrophobicContact CB-CD1 4Å; W216-L227 HydrophobicContact CD2-CD1 4.34Å; W216-L227 HydrophobicContact CD2-CD2 4.38Å; W216-L227 HydrophobicContact CD2-CG 4.43Å; W216-L227 HydrophobicContact CE3-CD1 3.9Å; W216-L227 HydrophobicContact CE3-CD2 3.79Å; W216-L227 HydrophobicContact CE3-CG 3.62Å; W216-L227 HydrophobicContact CG-CD1 4.41Å; W216-L227 HydrophobicContact CZ3-CD2 3.93Å; W216-L227 HydrophobicContact CZ3-CG 4.03Å; L218-L227 HydrophobicContact CD2-CB 4.07Å; L218-L227 HydrophobicContact CD2-CD1 3.81Å; L218-L227 HydrophobicContact CG-CD1 3.97Å; L227-T236 PolarHBondContact O-N 3.28Å; L227-S237 PolarHBondContact N-O 3.14Å; L227-S237 PolarHBondContact O-N 2.8Å; L227-F239 HydrophobicContact CB-CE2 3.98Å; L227-F239 HydrophobicContact CB-CZ 4.2Å; L227-F250 HydrophobicContact CD1-CE1 3.97Å; L227-F250 HydrophobicContact CD1-CZ 3.84Å; L227-L269 HydrophobicContact CD2-CB 4.36Å; L227-L269 HydrophobicContact CD2-CD2 3.99Å; L227-L269 WeakPolarHBondContact CD2-O 3.33Å
228W96.2Very high94.7Very high1 Ų127.6 Ų27.60%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-121.8141.1-175.6-68.273.1000110I190 V192 Y195 W216 M217 S226 L233 S234 P235I190-W228 HydrophobicContact CD1-CE3 4.34Å; I190-W228 HydrophobicContact CG2-CE3 3.9Å; I190-W228 HydrophobicContact CG2-CH2 3.63Å; I190-W228 HydrophobicContact CG2-CZ2 4.3Å; I190-W228 HydrophobicContact CG2-CZ3 3.38Å; V192-W228 HydrophobicContact CB-CZ2 4.31Å; V192-W228 HydrophobicContact CG1-CZ2 3.99Å; V192-W228 HydrophobicContact CG2-CZ2 4.01Å; Y195-W228 HydrophobicContact CD1-CH2 4.03Å; Y195-W228 AromaticContact CD2-CH2 3.56Å; Y195-W228 HydrophobicContact CD2-CH2 3.56Å; Y195-W228 HydrophobicContact CD2-CZ2 4.43Å; Y195-W228 HydrophobicContact CD2-CZ3 4.41Å; Y195-W228 HydrophobicContact CE1-CH2 4Å; Y195-W228 HydrophobicContact CE1-CZ3 4.14Å; Y195-W228 AromaticContact CE2-CH2 3.55Å; Y195-W228 HydrophobicContact CE2-CH2 3.55Å; Y195-W228 AromaticContact CE2-CZ3 3.97Å; Y195-W228 HydrophobicContact CE2-CZ3 3.97Å; Y195-W228 AromaticContact CG-CH2 3.79Å; Y195-W228 HydrophobicContact CG-CH2 3.79Å; Y195-W228 AromaticContact CZ-CH2 3.76Å; Y195-W228 AromaticContact CZ-CZ3 3.8Å; W216-W228 WeakPolarHBondContact CA-O 3.46Å; M217-W228 HydrophobicContact CB-CB 4.25Å; M217-W228 HydrophobicContact CE-CB 3.56Å; M217-W228 HydrophobicContact CE-CD2 4.09Å; M217-W228 HydrophobicContact CE-CG 3.56Å; M217-W228 PolarHBondContact N-O 2.94Å; M217-W228 PolarHBondContact O-N 3.46Å; S226-W228 PolarHBondContact OG-NE1 2.99Å; W228-L233 WeakPolarHBondContact CZ3-O 3.06Å; W228-S234 VanDerWaalsContact CE3-C 3.47Å; W228-P235 HydrophobicContact CD2-CB 4.21Å; W228-P235 HydrophobicContact CE3-CB 4.44Å; W228-P235 HydrophobicContact CH2-CB 4.15Å; W228-P235 HydrophobicContact CH2-CG 4.08Å; W228-P235 HydrophobicContact CZ2-CB 3.89Å; W228-P235 HydrophobicContact CZ2-CG 4.28Å; W228-P235 HydrophobicContact CZ3-CB 4.42Å; W228-P235 HydrophobicContact CZ3-CG 4.35Å
229H94.5Very high94.6Very high48 Ų4827.6 Ų27.622%0.22215%0.15CC..EExtended strand (participates in β ladder)trans-93.2118.1171.3-178.3-101.8000109.6W216 R231 S232 L233 S234W216-H229 HydrophobicContact CE3-CB 4.32Å; W216-H229 HydrophobicContact CZ3-CB 3.99Å; H229-R231 VanDerWaalsContact C-N 3.33Å; H229-R231 PolarHBondContact O-N 3.34Å; H229-S232 PolarHBondContact ND1-N 2.87Å; H229-S232 PolarHBondContact ND1-OG 2.83Å; H229-S232 PolarHBondContact O-N 3.42Å; H229-L233 WeakPolarHBondContact O-CA 3.48Å; H229-L233 PolarHBondContact O-N 3.35Å; H229-S234 PolarHBondContact N-O 3.5Å; H229-S234 VanDerWaalsContact N-O 3.16Å
230L91.1Very high94.5Very high7 Ų732.6 Ų32.64%0.03718%0.182CC..THydrogen-bonded Turntrans-67.8-28.3-168-76.1172.7000113.9L168 M178 T212 D215 M217 L233L168-L230 HydrophobicContact CD2-CD2 3.93Å; M178-L230 HydrophobicContact CE-CD2 4.29Å; M178-L230 HydrophobicContact SD-CD2 4.28Å; T212-L230 HydrophobicContact CG2-CD1 4.36Å; D215-L230 WeakPolarHBondContact O-CB 3.4Å; D215-L230 PolarHBondContact O-N 2.79Å; M217-L230 HydrophobicContact CB-CD1 4.27Å; M217-L230 HydrophobicContact CB-CD2 3.61Å; M217-L230 HydrophobicContact CB-CG 3.84Å; M217-L230 HydrophobicContact CG-CD2 4.31Å; M217-L230 HydrophobicContact SD-CD2 3.96Å; L230-L233 WeakPolarHBondContact O-CD2 3.46Å
231R89.1Confident94.4Very high184 Ų18433.2 Ų33.269%0.69419%0.185SC*.THydrogen-bonded Turntrans-77.8-33.3178.6-172.5176.5-64153.39.2113.2H229H229-R231 VanDerWaalsContact C-N 3.33Å; H229-R231 PolarHBondContact O-N 3.34Å
232S92.4Very high94.1Very high66 Ų6637.4 Ų37.446%0.46222%0.215SC..THydrogen-bonded Turntrans-96.5-11179.5570000113.1H229 S234H229-S232 PolarHBondContact ND1-N 2.87Å; H229-S232 PolarHBondContact ND1-OG 2.83Å; H229-S232 PolarHBondContact O-N 3.42Å; S232-S234 PolarHBondContact O-N 3.49Å; S232-S234 PolarHBondContact OG-OG 3.09Å
233L92.7Very high93.9Very high39 Ų3938.4 Ų38.420%0.20422%0.224CC..THydrogen-bonded Turntrans52.638.5-178.6-53.5172.5000112M178 H188 I190 Y195 W228 H229 L230M178-L233 HydrophobicContact SD-CD2 3.86Å; H188-L233 HydrophobicContact CB-CD1 4.19Å; I190-L233 HydrophobicContact CD1-CB 4.44Å; I190-L233 HydrophobicContact CD1-CD2 3.82Å; I190-L233 HydrophobicContact CG1-CD2 4.24Å; Y195-L233 PolarHBondContact OH-O 3.14Å; W228-L233 WeakPolarHBondContact CZ3-O 3.06Å; H229-L233 WeakPolarHBondContact O-CA 3.48Å; H229-L233 PolarHBondContact O-N 3.35Å; L230-L233 WeakPolarHBondContact O-CD2 3.46Å
234S92.9Very high93.9Very high43 Ų4338.5 Ų38.530%0.30123%0.225SC..EExtended strand (participates in β ladder)trans-124142.2-174.561.80000111.2W228 H229 S232 T236W228-S234 VanDerWaalsContact CE3-C 3.47Å; H229-S234 PolarHBondContact N-O 3.5Å; H229-S234 VanDerWaalsContact N-O 3.16Å; S232-S234 PolarHBondContact O-N 3.49Å; S232-S234 PolarHBondContact OG-OG 3.09Å; S234-T236 PolarHBondContact O-N 2.97Å
235P95.2Very high93.9Very high34 Ų3438 Ų3822%0.22122%0.221CC..EExtended strand (participates in β ladder)trans-70.7129.217429.8-31.7000109.6Y195 W228Y195-P235 HydrophobicContact CD1-CG 3.77Å; Y195-P235 HydrophobicContact CE1-CG 4.22Å; Y195-P235 HydrophobicContact CG-CG 4.45Å; W228-P235 HydrophobicContact CD2-CB 4.21Å; W228-P235 HydrophobicContact CE3-CB 4.44Å; W228-P235 HydrophobicContact CH2-CB 4.15Å; W228-P235 HydrophobicContact CH2-CG 4.08Å; W228-P235 HydrophobicContact CZ2-CB 3.89Å; W228-P235 HydrophobicContact CZ2-CG 4.28Å; W228-P235 HydrophobicContact CZ3-CB 4.42Å; W228-P235 HydrophobicContact CZ3-CG 4.35Å
236T95.3Very high93.7Very high72 Ų7242.8 Ų42.844%0.44224%0.239SC..EExtended strand (participates in β ladder)trans-99.6-37.6179-570000111.6W216 L227 S234W216-T236 HydrophobicContact CH2-CG2 4Å; W216-T236 HydrophobicContact CZ3-CG2 3.9Å; W216-T236 WeakPolarHBondContact CZ3-OG1 3.45Å; L227-T236 PolarHBondContact O-N 3.28Å; S234-T236 PolarHBondContact O-N 2.97Å
237S95.1Very high93.7Very high20 Ų2047 Ų4714%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-148.2145.8179.9-59.10000110.5S226 L227 L269S226-S237 CarbonylContact C-O 3.53Å; S226-S237 WeakPolarHBondContact CA-O 3.35Å; L227-S237 PolarHBondContact N-O 3.14Å; L227-S237 PolarHBondContact O-N 2.8Å; S237-L269 PolarHBondContact OG-O 3.15Å
238V95.9Very high93.6Very high45 Ų4547 Ų4727%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-122.7132177-177.10000107.9S224S224-V238 VanDerWaalsContact CB-CG1 3.4Å
239F95.4Very high93.6Very high0 Ų048 Ų480%026%0.263CS..  trans-94.1123.3-175.8-57.6-82.2000109.7L218 L225 L227 L241 I255 C267 L268L218-F239 HydrophobicContact CD2-CE2 3.74Å; L218-F239 HydrophobicContact CD2-CZ 4.34Å; L225-F239 HydrophobicContact CB-CB 4.28Å; L225-F239 HydrophobicContact CB-CD2 4.15Å; L225-F239 HydrophobicContact CD2-CB 4.3Å; L225-F239 HydrophobicContact CD2-CD2 3.86Å; L225-F239 HydrophobicContact CD2-CG 4.18Å; L225-F239 HydrophobicContact CG-CD2 3.73Å; L225-F239 HydrophobicContact CG-CE2 4.43Å; L225-F239 HydrophobicContact CG-CG 4.43Å; L225-F239 VanDerWaalsContact O-CD2 3.3Å; L225-F239 WeakPolarHBondContact O-CD2 2.97Å; L225-F239 PolarHBondContact O-N 2.74Å; L227-F239 HydrophobicContact CB-CE2 3.98Å; L227-F239 HydrophobicContact CB-CZ 4.2Å; F239-L241 HydrophobicContact CB-CD1 4.32Å; F239-L241 HydrophobicContact CB-CG 4.16Å; F239-L241 PolarHBondContact O-N 2.95Å; F239-I255 HydrophobicContact CE1-CD1 4.01Å; F239-I255 HydrophobicContact CE2-CD1 4.02Å; F239-I255 HydrophobicContact CZ-CD1 3.34Å; F239-C267 HydrophobicContact CD1-CB 3.43Å; F239-C267 VanDerWaalsContact CD1-CB 3.43Å; F239-C267 HydrophobicContact CE1-CB 3.54Å; F239-C267 HydrophobicContact CG-CB 4.35Å; F239-L268 VanDerWaalsContact CE1-O 3.26Å; F239-L268 WeakPolarHBondContact CE1-O 3.34Å
240P93.1Very high93.5Very high105 Ų10547.2 Ų47.268%0.68226%0.259SS*.  trans-78.256.1-178.233.8-37000111.7G271 V273P240-G271 WeakPolarHBondContact CD-O 3.28Å; P240-V273 HydrophobicContact CG-CG2 4.15Å
241L92.8Very high93.5Very high12 Ų1247.7 Ų47.76%0.06326%0.261CS..  trans-87141.4176.7-62.5175.7000110.9R200 L225 F239 Q245 A257 V273R200-L241 PolarHBondContact NH1-O 2.68Å; L225-L241 HydrophobicContact CB-CD1 4.47Å; L225-L241 HydrophobicContact CD2-CD1 3.73Å; F239-L241 HydrophobicContact CB-CD1 4.32Å; F239-L241 HydrophobicContact CB-CG 4.16Å; F239-L241 PolarHBondContact O-N 2.95Å; L241-Q245 HydrophobicContact CD1-CG 4.12Å; L241-A257 HydrophobicContact CD1-CB 3.83Å; L241-V273 HydrophobicContact CD2-CG1 4.09Å; L241-V273 HydrophobicContact CD2-CG2 3.71Å; L241-V273 HydrophobicContact CG-CG2 4.41Å
242S88.6Confident93.5Very high89 Ų8945.4 Ų45.462%0.62226%0.258SS*.SBendtrans-74.7144.6171.854.90000111.2Q245S242-Q245 PolarHBondContact O-NE2 3.36Å; S242-Q245 VanDerWaalsContact O-NE2 3.11Å
243G90.9Very high93.2Very high20 Ų2048.4 Ų48.421%0.20627%0.27CS..SBendtrans70.6-177176.800000115.2R200 Q245R200-G243 PolarHBondContact NH1-O 3.16Å; R200-G243 PolarHBondContact NH2-O 2.88Å; G243-Q245 PolarHBondContact O-NE2 3.1Å
244C94.8Very high93.2Very high4 Ų447.9 Ų47.93%0.02727%0.266CS..  trans-87.9134-178.4-49.60000110W206 G221 G259 D260W206-C244 HydrophobicContact CH2-CB 3.46Å; W206-C244 VanDerWaalsContact CH2-CB 3.46Å; W206-C244 HydrophobicContact CZ2-CB 3.67Å; G221-C244 WeakPolarHBondContact O-CA 3.43Å; G221-C244 WeakPolarHBondContact O-CB 3.18Å; C244-G259 VanDerWaalsContact O-CA 3.28Å; C244-G259 WeakPolarHBondContact O-CA 3.37Å; C244-D260 VanDerWaalsContact CB-OD2 3.24Å; C244-D260 WeakPolarHBondContact CB-OD2 3.29Å; C244-D260 PolarHBondContact N-OD2 2.84Å; C244-D260 PolarHBondContact O-N 3.45Å; C244-D260 PolarHBondContact SG-OD2 3.05Å
245Q94.9Very high93.4Very high7 Ų745.9 Ų45.93%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-92.5124.6-179.7-56.1-50.6-54.700109.9S208 G221 L225 L241 S242 G243 V258S208-Q245 PolarHBondContact OG-O 3.31Å; G221-Q245 PolarHBondContact N-O 3.26Å; L225-Q245 HydrophobicContact CB-CG 3.97Å; L241-Q245 HydrophobicContact CD1-CG 4.12Å; S242-Q245 PolarHBondContact O-NE2 3.36Å; S242-Q245 VanDerWaalsContact O-NE2 3.11Å; G243-Q245 PolarHBondContact O-NE2 3.1Å; Q245-V258 CarbonylContact C-O 3.53Å; Q245-V258 PolarHBondContact OE1-O 3.48Å
246R94.6Very high93.4Very high101 Ų10144.2 Ų44.238%0.38124%0.242SC..EExtended strand (participates in β ladder)trans-89.9-37.1-177.5-63.9-66.8-174.9146.60.5112.1V258 D260R246-V258 PolarHBondContact N-O 3.37Å; R246-D260 IonicContact NE-OD1 3.64Å; R246-D260 IonicContact NH2-OD1 3.64Å
247R95.2Very high93.5Very high89 Ų8940.8 Ų40.834%0.33622%0.221SC..EExtended strand (participates in β ladder)trans-145.9144.8-180-165.475.1-175.3-165.14.3110.8C209 V258 L287C209-R247 VanDerWaalsContact SG-C 3.59Å; R247-V258 HydrophobicContact CB-CG2 3.73Å; R247-V258 PolarHBondContact N-O 2.82Å; R247-V258 VanDerWaalsContact N-O 3.13Å; R247-V258 WeakPolarHBondContact O-CG2 3.28Å; R247-V258 PolarHBondContact O-N 2.84Å; R247-L287 HydrophobicContact CG-CB 4.28Å
248A95.6Very high93.5Very high2 Ų239.9 Ų39.92%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-141.5154.6170.500000110.2C209 T211 L225 I255 L256 A257C209-A248 WeakPolarHBondContact SG-CB 3.26Å; C209-A248 PolarHBondContact SG-N 3.21Å; T211-A248 WeakPolarHBondContact CG2-O 3.43Å; L225-A248 HydrophobicContact CD1-CB 4.09Å; A248-I255 HydrophobicContact CB-CG2 4.46Å; A248-L256 CarbonylContact C-O 3.59Å; A248-L256 WeakPolarHBondContact CA-O 3.42Å; A248-L256 WeakPolarHBondContact CB-O 3.3Å; A248-A257 HydrophobicContact CB-CB 4.31Å
249A94.9Very high93.5Very high20 Ų2037.8 Ų37.817%0.16520%0.202CC..EExtended strand (participates in β ladder)trans-143.9143177.900000110.5I255 L256 L287A249-I255 WeakPolarHBondContact O-CA 3.19Å; A249-L256 PolarHBondContact N-O 2.89Å; A249-L256 PolarHBondContact O-N 2.92Å; A249-L287 HydrophobicContact CB-CD2 3.65Å
250F93.8Very high93.3Very high33 Ų3341.1 Ų41.115%0.14522%0.219CC..EExtended strand (participates in β ladder)trans-73.5138.1166.3-69-80.9000109.9T211 D213 W216 L218 L227 I255 L269T211-F250 HydrophobicContact CG2-CD2 3.87Å; T211-F250 HydrophobicContact CG2-CE2 3.86Å; D213-F250 HydrophobicContact CB-CB 4.23Å; D213-F250 HydrophobicContact CB-CD1 4.19Å; D213-F250 HydrophobicContact CB-CD2 3.48Å; D213-F250 VanDerWaalsContact CB-CD2 3.48Å; D213-F250 HydrophobicContact CB-CE1 4.4Å; D213-F250 HydrophobicContact CB-CE2 3.73Å; D213-F250 HydrophobicContact CB-CG 3.71Å; D213-F250 HydrophobicContact CB-CZ 4.17Å; W216-F250 HydrophobicContact CB-CE1 4.45Å; W216-F250 HydrophobicContact CB-CZ 3.95Å; L218-F250 HydrophobicContact CB-CE2 4.33Å; L218-F250 HydrophobicContact CB-CZ 4.32Å; L218-F250 HydrophobicContact CD1-CD1 4.04Å; L218-F250 HydrophobicContact CD1-CD2 4Å; L218-F250 HydrophobicContact CD1-CE1 3.65Å; L218-F250 HydrophobicContact CD1-CE2 3.62Å; L218-F250 HydrophobicContact CD1-CG 4.22Å; L218-F250 HydrophobicContact CD1-CZ 3.44Å; L218-F250 VanDerWaalsContact CD1-CZ 3.44Å; L218-F250 HydrophobicContact CG-CE1 3.99Å; L218-F250 HydrophobicContact CG-CE2 3.86Å; L218-F250 HydrophobicContact CG-CZ 3.46Å; L218-F250 VanDerWaalsContact CG-CZ 3.46Å; L227-F250 HydrophobicContact CD1-CE1 3.97Å; L227-F250 HydrophobicContact CD1-CZ 3.84Å; F250-I255 HydrophobicContact CD1-CG1 4.04Å; F250-I255 HydrophobicContact CE1-CD1 4.29Å; F250-I255 HydrophobicContact CE1-CG1 4.17Å; F250-L269 HydrophobicContact CD1-CD2 4.29Å; F250-L269 HydrophobicContact CE1-CD2 3.9Å
251H91.4Very high93.2Very high17 Ų1737.4 Ų37.48%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-145.8101.6174.4-172.174.4000110.3D253 M254 L256 L289H251-D253 PolarHBondContact O-N 2.9Å; H251-M254 CarbonylContact C-O 3.57Å; H251-M254 PolarHBondContact N-O 3.4Å; H251-M254 PolarHBondContact O-N 3Å; H251-L256 HydrophobicContact CB-CD1 4.23Å; H251-L256 HydrophobicContact CB-CG 4.25Å; H251-L289 HydrophobicContact CB-CD1 3.96Å; H251-L289 WeakPolarHBondContact ND1-CD1 3.28Å
252Q87.8Confident93.3Very high135 Ų13538 Ų3863%0.63121%0.207SC*.THydrogen-bonded Turntrans54.9-127.4-174.4-54175.5-26.800109.2M254Q252-M254 VanDerWaalsContact C-N 3.25Å; Q252-M254 PolarHBondContact O-N 3.33Å
253D86.8Confident93.5Very high130 Ų13037.9 Ų37.970%0.69520%0.195SC*.THydrogen-bonded Turntrans-88.615.7179-54.6-41000113.4H251H251-D253 PolarHBondContact O-N 2.9Å
254M93.1Very high93.8Very high28 Ų2836.9 Ų36.914%0.13819%0.185CC..EExtended strand (participates in β ladder)trans-126.5162.1-177.7-61-171.1-61.400112H251 Q252 C267 L268 K274 L314H251-M254 CarbonylContact C-O 3.57Å; H251-M254 PolarHBondContact N-O 3.4Å; H251-M254 PolarHBondContact O-N 3Å; Q252-M254 VanDerWaalsContact C-N 3.25Å; Q252-M254 PolarHBondContact O-N 3.33Å; M254-C267 CarbonylContact C-O 3.48Å; M254-C267 WeakPolarHBondContact CA-O 3.28Å; M254-L268 HydrophobicContact CG-CD2 4.14Å; M254-K274 HydrophobicContact SD-CD 4.09Å; M254-L314 HydrophobicContact CE-CD1 4.42Å
255I95.6Very high93.9Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-118.5127.9173.5-61.5164.9000107.6L218 F239 A248 A249 F250 C267 L269L218-I255 HydrophobicContact CD1-CB 4.26Å; L218-I255 HydrophobicContact CD1-CD1 3.83Å; L218-I255 HydrophobicContact CD1-CG1 3.81Å; L218-I255 HydrophobicContact CD1-CG2 3.47Å; L218-I255 VanDerWaalsContact CD1-CG2 3.47Å; L218-I255 HydrophobicContact CD2-CD1 3.67Å; L218-I255 HydrophobicContact CD2-CG2 4.37Å; L218-I255 HydrophobicContact CG-CD1 4.23Å; F239-I255 HydrophobicContact CE1-CD1 4.01Å; F239-I255 HydrophobicContact CE2-CD1 4.02Å; F239-I255 HydrophobicContact CZ-CD1 3.34Å; A248-I255 HydrophobicContact CB-CG2 4.46Å; A249-I255 WeakPolarHBondContact O-CA 3.19Å; F250-I255 HydrophobicContact CD1-CG1 4.04Å; F250-I255 HydrophobicContact CE1-CD1 4.29Å; F250-I255 HydrophobicContact CE1-CG1 4.17Å; I255-C267 HydrophobicContact CB-CB 4.21Å; I255-C267 PolarHBondContact N-O 3.22Å; I255-C267 PolarHBondContact O-N 2.86Å; I255-L269 HydrophobicContact CD1-CD2 3.78Å; I255-L269 HydrophobicContact CG1-CD2 4.1Å
256L96.4Very high93.9Very high0 Ų037.2 Ų37.20%019%0.187CC..EExtended strand (participates in β ladder)trans-98.8128171.5-55.2-179.3000108.2A248 A249 H251 S265 H266 L287 L289 L299 L314A248-L256 CarbonylContact C-O 3.59Å; A248-L256 WeakPolarHBondContact CA-O 3.42Å; A248-L256 WeakPolarHBondContact CB-O 3.3Å; A249-L256 PolarHBondContact N-O 2.89Å; A249-L256 PolarHBondContact O-N 2.92Å; H251-L256 HydrophobicContact CB-CD1 4.23Å; H251-L256 HydrophobicContact CB-CG 4.25Å; L256-S265 WeakPolarHBondContact CA-O 3.49Å; L256-H266 VanDerWaalsContact CD2-CD2 3.44Å; L256-H266 WeakPolarHBondContact CD2-CD2 3.46Å; L256-H266 WeakPolarHBondContact CD2-NE2 3.3Å; L256-L287 HydrophobicContact CB-CD1 3.88Å; L256-L287 HydrophobicContact CB-CD2 4.39Å; L256-L289 HydrophobicContact CD1-CD1 3.92Å; L256-L289 HydrophobicContact CD1-CD2 4.29Å; L256-L289 HydrophobicContact CD1-CG 4.35Å; L256-L299 HydrophobicContact CD1-CD1 4.2Å; L256-L299 HydrophobicContact CD1-CD2 4.25Å; L256-L314 HydrophobicContact CD1-CD2 4.43Å
257A96.4Very high93.9Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-130.7141.5-18000000111.5L225 L241 A248 S265L225-A257 HydrophobicContact CD2-CB 3.59Å; L241-A257 HydrophobicContact CD1-CB 3.83Å; A248-A257 HydrophobicContact CB-CB 4.31Å; A257-S265 PolarHBondContact N-O 3.43Å; A257-S265 PolarHBondContact O-N 2.97Å
258V96.4Very high93.9Very high0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-138.9152.6178.7-63.50000110.8Q245 R246 R247 V264 L284 L287 V301Q245-V258 CarbonylContact C-O 3.53Å; Q245-V258 PolarHBondContact OE1-O 3.48Å; R246-V258 PolarHBondContact N-O 3.37Å; R247-V258 HydrophobicContact CB-CG2 3.73Å; R247-V258 PolarHBondContact N-O 2.82Å; R247-V258 VanDerWaalsContact N-O 3.13Å; R247-V258 WeakPolarHBondContact O-CG2 3.28Å; R247-V258 PolarHBondContact O-N 2.84Å; V258-V264 HydrophobicContact CG1-CB 4.38Å; V258-V264 HydrophobicContact CG1-CG1 4.38Å; V258-V264 HydrophobicContact CG1-CG2 3.91Å; V258-L284 HydrophobicContact CB-CB 3.72Å; V258-L284 HydrophobicContact CB-CD1 4.06Å; V258-L284 HydrophobicContact CG1-CB 4.3Å; V258-L284 HydrophobicContact CG1-CD1 3.86Å; V258-L284 HydrophobicContact CG2-CB 4.32Å; V258-L287 HydrophobicContact CG1-CB 4.29Å; V258-L287 HydrophobicContact CG1-CD1 3.65Å; V258-L287 HydrophobicContact CG2-CB 3.76Å; V258-L287 HydrophobicContact CG2-CD1 4.47Å; V258-V301 HydrophobicContact CG1-CG1 4.01Å
259G94.3Very high93.8Very high2 Ų233.8 Ų33.82%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-175.5-139-177.100000113.7C244 G261 L284C244-G259 VanDerWaalsContact O-CA 3.28Å; C244-G259 WeakPolarHBondContact O-CA 3.37Å; G259-G261 PolarHBondContact O-N 2.83Å; G259-L284 CarbonylContact C-O 3.57Å; G259-L284 WeakPolarHBondContact CA-O 3.44Å; G259-L284 PolarHBondContact N-O 3.47Å; G259-L284 PolarHBondContact O-N 2.77Å
260D92.2Very high93.6Very high69 Ų6936.2 Ų36.237%0.36921%0.208SC..SBendtrans-62.8-16.2-174.8-63.4-24000114.2C244 R246C244-D260 VanDerWaalsContact CB-OD2 3.24Å; C244-D260 WeakPolarHBondContact CB-OD2 3.29Å; C244-D260 PolarHBondContact N-OD2 2.84Å; C244-D260 PolarHBondContact O-N 3.45Å; C244-D260 PolarHBondContact SG-OD2 3.05Å; R246-D260 IonicContact NE-OD1 3.64Å; R246-D260 IonicContact NH2-OD1 3.64Å
261G91.6Very high93.4Very high27 Ų2735.1 Ų35.128%0.27821%0.207SC..SBendtrans-93.4156.3176.900000114G259 F263 P282G259-G261 PolarHBondContact O-N 2.83Å; G261-F263 PolarHBondContact O-N 2.92Å; G261-P282 CarbonylContact C-O 3.45Å
262A93.4Very high93.6Very high24 Ų2440.5 Ų40.520%0.19823%0.232CC..SBendtrans-7832.7176.800000113.6C279 P281 P282A262-C279 WeakPolarHBondContact O-CB 3.36Å; A262-C279 PolarHBondContact O-N 2.77Å; A262-P281 WeakPolarHBondContact CA-O 3.45Å; A262-P281 VanDerWaalsContact CB-O 3.26Å; A262-P281 WeakPolarHBondContact CB-O 3.43Å; A262-P282 PolarHBondContact N-O 3.05Å
263F94.6Very high93.9Very high87 Ų8736 Ų3638%0.38221%0.214SC..EExtended strand (participates in β ladder)trans-134.4138.5-173.2-52.7-84.3000112.4G261 Q276 I277 P278 L284G261-F263 PolarHBondContact O-N 2.92Å; F263-Q276 HydrophobicContact CB-CB 4.05Å; F263-Q276 HydrophobicContact CD1-CB 4.27Å; F263-Q276 HydrophobicContact CG-CB 4.3Å; F263-I277 VanDerWaalsContact CA-O 3.28Å; F263-I277 WeakPolarHBondContact CA-O 3.32Å; F263-P278 HydrophobicContact CD1-CB 4.07Å; F263-P278 HydrophobicContact CE1-CB 3.96Å; F263-L284 WeakPolarHBondContact O-CD1 3.26Å
264V96Very high94.2Very high0 Ų036.4 Ų36.40%021%0.209CC..EExtended strand (participates in β ladder)trans-84.4114.1161.1-178.30000107.5V258 Q276 I277 L284 L287 L299 V301 F311V258-V264 HydrophobicContact CG1-CB 4.38Å; V258-V264 HydrophobicContact CG1-CG1 4.38Å; V258-V264 HydrophobicContact CG1-CG2 3.91Å; V264-Q276 WeakPolarHBondContact O-CA 3.28Å; V264-I277 PolarHBondContact N-O 3.01Å; V264-I277 PolarHBondContact O-N 3.39Å; V264-L284 HydrophobicContact CG2-CD1 4.4Å; V264-L287 HydrophobicContact CG1-CD1 4.23Å; V264-L299 HydrophobicContact CG1-CD2 4.29Å; V264-V301 HydrophobicContact CG2-CB 4.48Å; V264-V301 HydrophobicContact CG2-CG1 4.29Å; V264-V301 HydrophobicContact CG2-CG2 3.76Å; V264-F311 HydrophobicContact CG2-CE2 4.46Å; V264-F311 HydrophobicContact CG2-CZ 4.25Å
265S96.1Very high94.2Very high4 Ų436.5 Ų36.53%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-91.8128.7179.9-58.90000110.4L256 A257 Q276L256-S265 WeakPolarHBondContact CA-O 3.49Å; A257-S265 PolarHBondContact N-O 3.43Å; A257-S265 PolarHBondContact O-N 2.97Å; S265-Q276 PolarHBondContact OG-NE2 3.45Å
266H95.8Very high94.1Very high14 Ų1440.8 Ų40.87%0.06524%0.237CC..EExtended strand (participates in β ladder)trans-101117.8176.1-72.1-154.1000109L256 V273 K274 G275 I277 L314L256-H266 VanDerWaalsContact CD2-CD2 3.44Å; L256-H266 WeakPolarHBondContact CD2-CD2 3.46Å; L256-H266 WeakPolarHBondContact CD2-NE2 3.3Å; H266-V273 CarbonylContact O-C 3.57Å; H266-K274 HydrophobicContact CB-CB 4.34Å; H266-K274 PolarHBondContact O-N 2.98Å; H266-G275 PolarHBondContact N-O 2.77Å; H266-G275 PolarHBondContact O-N 3.35Å; H266-I277 WeakPolarHBondContact NE2-CD1 3.36Å; H266-L314 PolarHBondContact CE1-O 2.9Å
267C95.7Very high94.1Very high0 Ų041.6 Ų41.60%024%0.242CC..EExtended strand (participates in β ladder)trans-119.3146.7-178.2-48.60000110.7F239 M254 I255 E272F239-C267 HydrophobicContact CD1-CB 3.43Å; F239-C267 VanDerWaalsContact CD1-CB 3.43Å; F239-C267 HydrophobicContact CE1-CB 3.54Å; F239-C267 HydrophobicContact CG-CB 4.35Å; M254-C267 CarbonylContact C-O 3.48Å; M254-C267 WeakPolarHBondContact CA-O 3.28Å; I255-C267 HydrophobicContact CB-CB 4.21Å; I255-C267 PolarHBondContact N-O 3.22Å; I255-C267 PolarHBondContact O-N 2.86Å; C267-E272 CarbonylContact C-O 3.58Å; C267-E272 VanDerWaalsContact CA-O 3.27Å; C267-E272 WeakPolarHBondContact CA-O 3.38Å
268L95Very high94Very high56 Ų5645.5 Ų45.529%0.29327%0.267SS..EExtended strand (participates in β ladder)trans-93147.7171.8-61.6-180000109.4F239 M254 G270 G271 E272 K274F239-L268 VanDerWaalsContact CE1-O 3.26Å; F239-L268 WeakPolarHBondContact CE1-O 3.34Å; M254-L268 HydrophobicContact CG-CD2 4.14Å; L268-G270 PolarHBondContact O-N 2.89Å; L268-G271 PolarHBondContact O-N 3.17Å; L268-E272 HydrophobicContact CB-CB 4.47Å; L268-E272 HydrophobicContact CD1-CB 4.4Å; L268-E272 PolarHBondContact N-O 2.83Å; L268-K274 HydrophobicContact CD2-CD 4.41Å
269L91.9Very high93.9Very high64 Ų6446.1 Ų46.134%0.33527%0.271SS..THydrogen-bonded Turntrans-52.3-26.9-177.7-67.8168.4000114.4L227 S237 F250 I255 G271L227-L269 HydrophobicContact CD2-CB 4.36Å; L227-L269 HydrophobicContact CD2-CD2 3.99Å; L227-L269 WeakPolarHBondContact CD2-O 3.33Å; S237-L269 PolarHBondContact OG-O 3.15Å; F250-L269 HydrophobicContact CD1-CD2 4.29Å; F250-L269 HydrophobicContact CE1-CD2 3.9Å; I255-L269 HydrophobicContact CD1-CD2 3.78Å; I255-L269 HydrophobicContact CG1-CD2 4.1Å; L269-G271 PolarHBondContact O-N 3.44Å
270G90.8Very high93.8Very high70 Ų7048.4 Ų48.472%0.72229%0.285SS*.THydrogen-bonded Turntrans-74.93.4175.900000116.3L268L268-G270 PolarHBondContact O-N 2.89Å
271G91.3Very high93.8Very high11 Ų1145.1 Ų45.111%0.11327%0.268CS..SBendtrans97.7-5177.300000115.5P240 L268 L269P240-G271 WeakPolarHBondContact CD-O 3.28Å; L268-G271 PolarHBondContact O-N 3.17Å; L269-G271 PolarHBondContact O-N 3.44Å
272E93.6Very high93.8Very high129 Ų12948 Ų4860%0.60328%0.281SS*.  trans-78.8140.2179.1-171.6-178.6175.300111.9C267 L268C267-E272 CarbonylContact C-O 3.58Å; C267-E272 VanDerWaalsContact CA-O 3.27Å; C267-E272 WeakPolarHBondContact CA-O 3.38Å; L268-E272 HydrophobicContact CB-CB 4.47Å; L268-E272 HydrophobicContact CD1-CB 4.4Å; L268-E272 PolarHBondContact N-O 2.83Å
273V94.9Very high93.9Very high42 Ų4248.6 Ų48.626%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-94.8107172.4-175.80000108.8P240 L241 H266 Q276P240-V273 HydrophobicContact CG-CG2 4.15Å; L241-V273 HydrophobicContact CD2-CG1 4.09Å; L241-V273 HydrophobicContact CD2-CG2 3.71Å; L241-V273 HydrophobicContact CG-CG2 4.41Å; H266-V273 CarbonylContact O-C 3.57Å; V273-Q276 HydrophobicContact CG1-CG 4.25Å
274K93.3Very high93.9Very high138 Ų13844.5 Ų44.560%0.627%0.266SS*.EExtended strand (participates in β ladder)trans-70.1-35.3-177.8-176178.3179.6176.90112.8M254 H266 L268M254-K274 HydrophobicContact SD-CD 4.09Å; H266-K274 HydrophobicContact CB-CB 4.34Å; H266-K274 PolarHBondContact O-N 2.98Å; L268-K274 HydrophobicContact CD2-CD 4.41Å
275G92.6Very high93.8Very high30 Ų3045.8 Ų45.831%0.30927%0.273SS..EExtended strand (participates in β ladder)trans179.4162.4-178.100000113.3H266H266-G275 PolarHBondContact N-O 2.77Å; H266-G275 PolarHBondContact O-N 3.35Å
276Q94.1Very high93.8Very high89 Ų8946 Ų4642%0.41627%0.274SS..EExtended strand (participates in β ladder)trans-129.8122.9179-68.7-171-50.400109.4F263 V264 S265 V273F263-Q276 HydrophobicContact CB-CB 4.05Å; F263-Q276 HydrophobicContact CD1-CB 4.27Å; F263-Q276 HydrophobicContact CG-CB 4.3Å; V264-Q276 WeakPolarHBondContact O-CA 3.28Å; S265-Q276 PolarHBondContact OG-NE2 3.45Å; V273-Q276 HydrophobicContact CG1-CG 4.25Å
277I95.4Very high93.7Very high17 Ų1745.5 Ų45.59%0.08727%0.272CS..EExtended strand (participates in β ladder)trans-104.1121.3-174.8-52.3169.6000108.6F263 V264 H266 F311 L314F263-I277 VanDerWaalsContact CA-O 3.28Å; F263-I277 WeakPolarHBondContact CA-O 3.32Å; V264-I277 PolarHBondContact N-O 3.01Å; V264-I277 PolarHBondContact O-N 3.39Å; H266-I277 WeakPolarHBondContact NE2-CD1 3.36Å; I277-F311 HydrophobicContact CB-CE1 4.47Å; I277-F311 HydrophobicContact CG2-CE1 3.75Å; I277-L314 WeakPolarHBondContact CD1-O 3.44Å
278P94.5Very high93.7Very high82 Ų8248.1 Ų48.153%0.53228%0.284SS..EExtended strand (participates in β ladder)trans-68.9141.8-177.127.5-34.2000112.2F263F263-P278 HydrophobicContact CD1-CB 4.07Å; F263-P278 HydrophobicContact CE1-CB 3.96Å
279C94.3Very high93.6Very high14 Ų1446.9 Ų46.910%0.09528%0.278CS..  trans-117.7166.4179.2-59.10000111A262 L284 D309A262-C279 WeakPolarHBondContact O-CB 3.36Å; A262-C279 PolarHBondContact O-N 2.77Å; C279-L284 HydrophobicContact CB-CD1 4.28Å; C279-L284 HydrophobicContact CB-CD2 3.97Å; C279-D309 VanDerWaalsContact CA-OD2 3.26Å; C279-D309 WeakPolarHBondContact CA-OD2 3.49Å; C279-D309 VanDerWaalsContact CB-OD2 3.29Å; C279-D309 WeakPolarHBondContact CB-OD2 3.46Å
280T92.7Very high93.5Very high50 Ų5043.9 Ų43.931%0.30726%0.262SS..SBendtrans-73-46.6174.7-36.20000112.3K307 D309 R317 S320T280-K307 HydrophobicContact CG2-CD 3.86Å; T280-D309 WeakPolarHBondContact CB-OD1 2.95Å; T280-D309 PolarHBondContact N-OD2 3.25Å; T280-D309 VanDerWaalsContact OG1-CG 3.29Å; T280-D309 PolarHBondContact OG1-OD1 3.11Å; T280-D309 PolarHBondContact OG1-OD2 3.18Å; T280-R317 PolarHBondContact OG1-NH1 2.93Å; T280-S320 PolarHBondContact OG1-OG 2.9Å
281P92.1Very high93.2Very high0 Ų045.2 Ų45.20%026%0.256CS..SBendtrans-68.4139179.8-19.233.7000110.9A262 S283 L284 D309A262-P281 WeakPolarHBondContact CA-O 3.45Å; A262-P281 VanDerWaalsContact CB-O 3.26Å; A262-P281 WeakPolarHBondContact CB-O 3.43Å; P281-S283 VanDerWaalsContact C-N 3.26Å; P281-S283 WeakPolarHBondContact CB-O 3.48Å; P281-S283 PolarHBondContact O-N 2.97Å; P281-L284 HydrophobicContact CB-CD2 3.83Å; P281-L284 HydrophobicContact CG-CD2 3.94Å; P281-D309 WeakPolarHBondContact CD-OD2 3.41Å
282P92.4Very high92.7Very high88 Ų8851.4 Ų51.457%0.57128%0.28SS*.SBendtrans-67-28.8179.927.6-34.9000112.8G261 A262 G304G261-P282 CarbonylContact C-O 3.45Å; A262-P282 PolarHBondContact N-O 3.05Å; P282-G304 WeakPolarHBondContact CD-O 3.33Å
283S93.9Very high92Very high36 Ų3646.3 Ų46.325%0.25226%0.259SS..SBendtrans-135.3152.9173.261.80000109.6P281 G303 G304P281-S283 VanDerWaalsContact C-N 3.26Å; P281-S283 WeakPolarHBondContact CB-O 3.48Å; P281-S283 PolarHBondContact O-N 2.97Å; S283-G303 CarbonylContact O-C 3.59Å; S283-G303 VanDerWaalsContact O-CA 3.28Å; S283-G303 WeakPolarHBondContact O-CA 3.26Å; S283-G304 PolarHBondContact O-N 2.79Å
284L95.6Very high91Very high0 Ų049.9 Ų49.90%029%0.285CS..EExtended strand (participates in β ladder)trans-123.8121.7-172.9-56.6172.6000109.5V258 G259 F263 V264 C279 P281 V301V258-L284 HydrophobicContact CB-CB 3.72Å; V258-L284 HydrophobicContact CB-CD1 4.06Å; V258-L284 HydrophobicContact CG1-CB 4.3Å; V258-L284 HydrophobicContact CG1-CD1 3.86Å; V258-L284 HydrophobicContact CG2-CB 4.32Å; G259-L284 CarbonylContact C-O 3.57Å; G259-L284 WeakPolarHBondContact CA-O 3.44Å; G259-L284 PolarHBondContact N-O 3.47Å; G259-L284 PolarHBondContact O-N 2.77Å; F263-L284 WeakPolarHBondContact O-CD1 3.26Å; V264-L284 HydrophobicContact CG2-CD1 4.4Å; C279-L284 HydrophobicContact CB-CD1 4.28Å; C279-L284 HydrophobicContact CB-CD2 3.97Å; P281-L284 HydrophobicContact CB-CD2 3.83Å; P281-L284 HydrophobicContact CG-CD2 3.94Å; L284-V301 HydrophobicContact CB-CG1 4.12Å; L284-V301 HydrophobicContact CD1-CG1 3.94Å; L284-V301 HydrophobicContact CD2-CG1 3.71Å; L284-V301 HydrophobicContact CG-CG1 4.11Å
285N94.3Very high90.2Very high28 Ų2850.7 Ų50.715%0.1529%0.291CS..EExtended strand (participates in β ladder)trans-102.1-31.3-176.7-64.8-33000112.3V11 G302V11-N285 PolarHBondContact O-ND2 3.44Å; N285-G302 PolarHBondContact N-O 3.14Å
286T94.9Very high89.7Confident9 Ų950.2 Ų50.26%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-138.2141.7-170.6166.70000111.3V11 F12 Q14 V301 G302V11-T286 HydrophobicContact CG1-CG2 4.08Å; F12-T286 WeakPolarHBondContact O-CB 3.29Å; Q14-T286 HydrophobicContact CG-CG2 4.04Å; Q14-T286 PolarHBondContact NE2-O 3.11Å; Q14-T286 PolarHBondContact NE2-OG1 2.61Å; T286-V301 WeakPolarHBondContact O-CA 3.26Å; T286-V301 WeakPolarHBondContact O-CG1 3.45Å; T286-G302 PolarHBondContact N-O 2.96Å; T286-G302 PolarHBondContact O-N 3.49Å
287L95.3Very high89.3Confident3 Ų352.4 Ų52.42%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-137.4129.7177.4173.7143.7000108.5R247 A249 L256 V258 V264 L299 V301R247-L287 HydrophobicContact CG-CB 4.28Å; A249-L287 HydrophobicContact CB-CD2 3.65Å; L256-L287 HydrophobicContact CB-CD1 3.88Å; L256-L287 HydrophobicContact CB-CD2 4.39Å; V258-L287 HydrophobicContact CG1-CB 4.29Å; V258-L287 HydrophobicContact CG1-CD1 3.65Å; V258-L287 HydrophobicContact CG2-CB 3.76Å; V258-L287 HydrophobicContact CG2-CD1 4.47Å; V264-L287 HydrophobicContact CG1-CD1 4.23Å; L287-L299 HydrophobicContact CD1-CD1 3.79Å; L287-L299 HydrophobicContact CD2-CD1 4.09Å; L287-L299 HydrophobicContact CG-CD1 3.62Å; L287-V301 HydrophobicContact CD1-CG2 4.37Å
288Q94.3Very high89.2Confident54 Ų5451.9 Ų51.925%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-139.1139178-80.1-70.1-9.800110.8Q14 F16 T300Q14-Q288 HydrophobicContact CB-CB 4.45Å; Q14-Q288 HydrophobicContact CB-CG 3.95Å; F16-Q288 HydrophobicContact CD2-CB 4.2Å; F16-Q288 HydrophobicContact CE2-CB 3.62Å; F16-Q288 HydrophobicContact CZ-CB 4.42Å; Q288-T300 PolarHBondContact N-O 2.9Å; Q288-T300 PolarHBondContact O-N 2.82Å
289L92.6Very high89.2Confident31 Ų3148 Ų4816%0.16226%0.258CS..EExtended strand (participates in β ladder)trans-109.4122.3176.7-80.3161.6000109.5H251 L256 T291 L299 L314H251-L289 HydrophobicContact CB-CD1 3.96Å; H251-L289 WeakPolarHBondContact ND1-CD1 3.28Å; L256-L289 HydrophobicContact CD1-CD1 3.92Å; L256-L289 HydrophobicContact CD1-CD2 4.29Å; L256-L289 HydrophobicContact CD1-CG 4.35Å; L289-T291 HydrophobicContact CB-CG2 4.42Å; L289-T291 PolarHBondContact O-N 3.14Å; L289-T291 VanDerWaalsContact O-N 3.08Å; L289-L299 HydrophobicContact CD2-CB 3.74Å; L289-L299 HydrophobicContact CD2-CD1 3.91Å; L289-L299 HydrophobicContact CD2-CG 4.4Å; L289-L299 HydrophobicContact CG-CD1 3.99Å; L289-L314 HydrophobicContact CD2-CD2 4.37Å
290N91.4Very high89.3Confident1 Ų147.4 Ų47.41%0.00525%0.254CS..  trans-80.492.7174.5-168.14.1000110F16 G20 K292 H296 R297 V298F16-N290 HydrophobicContact CD1-CB 4Å; F16-N290 HydrophobicContact CD2-CB 3.9Å; F16-N290 HydrophobicContact CE1-CB 3.81Å; F16-N290 HydrophobicContact CE2-CB 3.69Å; F16-N290 VanDerWaalsContact CE2-N 3.33Å; F16-N290 HydrophobicContact CG-CB 4.05Å; F16-N290 HydrophobicContact CZ-CB 3.66Å; G20-N290 PolarHBondContact O-ND2 3.07Å; N290-K292 PolarHBondContact OD1-N 3.03Å; N290-H296 WeakPolarHBondContact CB-O 3.49Å; N290-H296 PolarHBondContact ND2-O 2.97Å; N290-R297 WeakPolarHBondContact O-CA 3.21Å; N290-V298 HydrophobicContact CB-CG2 4.29Å; N290-V298 PolarHBondContact N-O 2.89Å
291T84.4Confident89.5Confident98 Ų9845 Ų4560%0.60124%0.239SC*.  trans-94.9-2.9173.655.90000112.8L289L289-T291 HydrophobicContact CB-CG2 4.42Å; L289-T291 PolarHBondContact O-N 3.14Å; L289-T291 VanDerWaalsContact O-N 3.08Å
292K80.9Confident89.6Confident140 Ų14045 Ų4561%0.60924%0.239SC*.SBendtrans-78.4-20.2-174-61.5-68.1-174.2174.50113.6N290N290-K292 PolarHBondContact OD1-N 3.03Å
293S77.3Confident89.7Confident23 Ų2340.8 Ų40.816%0.16121%0.212CC..  trans-133.4137.71791740000111.1E295 H296 R297S293-E295 PolarHBondContact OG-N 2.85Å; S293-H296 PolarHBondContact OG-N 2.82Å; S293-R297 PolarHBondContact O-N 3.44Å
294S75.1Confident89.6Confident116 Ų11640.1 Ų40.181%0.81121%0.211SC*.SBendtrans-71.3-34.7174.251.90000112.5
295E75.8Confident89.5Confident155 Ų15541.3 Ų41.372%0.72422%0.219SC*.THydrogen-bonded Turntrans-82-27.3-177.1-65.8-178.3167.100112.7S293S293-E295 PolarHBondContact OG-N 2.85Å
296H82.2Confident89.4Confident21 Ų2141.2 Ų41.210%0.09722%0.22CC..THydrogen-bonded Turntrans-11330.3-177.7-54.6-43000112.3G20 L41 N290 S293 V298G20-H296 WeakPolarHBondContact O-CB 3.1Å; L41-H296 HydrophobicContact CD1-CB 4.18Å; N290-H296 WeakPolarHBondContact CB-O 3.49Å; N290-H296 PolarHBondContact ND2-O 2.97Å; S293-H296 PolarHBondContact OG-N 2.82Å; H296-V298 PolarHBondContact O-N 3.19Å
297R87.1Confident89.3Confident134 Ų13444.7 Ų44.751%0.50624%0.235SC..  trans-70.199.2178.7-171.6175.6179.4-177.5-4110.2N290 S293N290-R297 WeakPolarHBondContact O-CA 3.21Å; S293-R297 PolarHBondContact O-N 3.44Å
298V92.9Very high89.3Confident6 Ų644.6 Ų44.64%0.03623%0.234CC..  trans-135.5152.8179.8-62.60000110.7F16 L41 N290 H296 T300 V310 F311 T312F16-V298 HydrophobicContact CE1-CG2 4.43Å; F16-V298 HydrophobicContact CZ-CG2 4.44Å; L41-V298 HydrophobicContact CD1-CG1 3.85Å; L41-V298 HydrophobicContact CD2-CG1 4Å; N290-V298 HydrophobicContact CB-CG2 4.29Å; N290-V298 PolarHBondContact N-O 2.89Å; H296-V298 PolarHBondContact O-N 3.19Å; V298-T300 HydrophobicContact CG2-CG2 4.02Å; V298-V310 HydrophobicContact CB-CG1 3.92Å; V298-V310 HydrophobicContact CG1-CG1 4.04Å; V298-V310 HydrophobicContact CG2-CG1 4.14Å; V298-F311 VanDerWaalsContact CA-O 3.31Å; V298-F311 WeakPolarHBondContact CA-O 3.33Å; V298-F311 WeakPolarHBondContact CB-O 3.3Å; V298-T312 HydrophobicContact CG1-CG2 4.15Å
299L94.6Very high89.4Confident2 Ų242 Ų421%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-94.8132.4163.9163.274.2000107.9L256 V264 L287 L289 V301 F311 L314L256-L299 HydrophobicContact CD1-CD1 4.2Å; L256-L299 HydrophobicContact CD1-CD2 4.25Å; V264-L299 HydrophobicContact CG1-CD2 4.29Å; L287-L299 HydrophobicContact CD1-CD1 3.79Å; L287-L299 HydrophobicContact CD2-CD1 4.09Å; L287-L299 HydrophobicContact CG-CD1 3.62Å; L289-L299 HydrophobicContact CD2-CB 3.74Å; L289-L299 HydrophobicContact CD2-CD1 3.91Å; L289-L299 HydrophobicContact CD2-CG 4.4Å; L289-L299 HydrophobicContact CG-CD1 3.99Å; L299-V301 HydrophobicContact CD1-CG2 4.14Å; L299-V301 HydrophobicContact CD2-CG2 4.28Å; L299-V301 HydrophobicContact CG-CG2 3.99Å; L299-F311 HydrophobicContact CB-CB 3.92Å; L299-F311 HydrophobicContact CD2-CB 4.23Å; L299-F311 HydrophobicContact CD2-CD2 4.13Å; L299-F311 HydrophobicContact CD2-CG 4.13Å; L299-F311 HydrophobicContact CG-CB 4.3Å; L299-F311 HydrophobicContact CG-CD2 4.17Å; L299-F311 HydrophobicContact CG-CG 4.43Å; L299-F311 PolarHBondContact N-O 3.22Å; L299-F311 PolarHBondContact O-N 2.85Å; L299-L314 HydrophobicContact CB-CD2 3.77Å; L299-L314 HydrophobicContact CD2-CD2 3.68Å; L299-L314 HydrophobicContact CG-CD2 4.32Å
300T95.9Very high89.5Confident0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-121.2137.7174.762.80000111Q14 F16 L23 Q288 V298 D309 V310Q14-T300 VanDerWaalsContact OE1-CB 3.23Å; Q14-T300 PolarHBondContact OE1-OG1 2.87Å; F16-T300 HydrophobicContact CE1-CG2 4.11Å; F16-T300 HydrophobicContact CZ-CG2 3.73Å; F16-T300 WeakPolarHBondContact CZ-OG1 3.35Å; L23-T300 HydrophobicContact CD2-CG2 4.15Å; Q288-T300 PolarHBondContact N-O 2.9Å; Q288-T300 PolarHBondContact O-N 2.82Å; V298-T300 HydrophobicContact CG2-CG2 4.02Å; T300-D309 WeakPolarHBondContact CA-O 3.26Å; T300-V310 HydrophobicContact CG2-CG1 4.38Å; T300-V310 HydrophobicContact CG2-CG2 4.21Å
301V96.1Very high89.7Confident0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-136.3132.4-174.7-166.70000109.7V258 V264 L284 T286 L287 L299 I308 D309 F311V258-V301 HydrophobicContact CG1-CG1 4.01Å; V264-V301 HydrophobicContact CG2-CB 4.48Å; V264-V301 HydrophobicContact CG2-CG1 4.29Å; V264-V301 HydrophobicContact CG2-CG2 3.76Å; L284-V301 HydrophobicContact CB-CG1 4.12Å; L284-V301 HydrophobicContact CD1-CG1 3.94Å; L284-V301 HydrophobicContact CD2-CG1 3.71Å; L284-V301 HydrophobicContact CG-CG1 4.11Å; T286-V301 WeakPolarHBondContact O-CA 3.26Å; T286-V301 WeakPolarHBondContact O-CG1 3.45Å; L287-V301 HydrophobicContact CD1-CG2 4.37Å; L299-V301 HydrophobicContact CD1-CG2 4.14Å; L299-V301 HydrophobicContact CD2-CG2 4.28Å; L299-V301 HydrophobicContact CG-CG2 3.99Å; V301-I308 CarbonylContact O-C 3.53Å; V301-I308 WeakPolarHBondContact O-CA 3.2Å; V301-I308 WeakPolarHBondContact O-CG2 3.44Å; V301-D309 PolarHBondContact N-O 3.02Å; V301-D309 PolarHBondContact O-N 3.39Å; V301-F311 HydrophobicContact CB-CE2 4.33Å; V301-F311 HydrophobicContact CG2-CD2 4.22Å; V301-F311 HydrophobicContact CG2-CE2 3.87Å
302G94.9Very high90Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-137.9160.7-17900000110.9Q14 N285 T286Q14-G302 VanDerWaalsContact NE2-N 3.15Å; N285-G302 PolarHBondContact N-O 3.14Å; T286-G302 PolarHBondContact N-O 2.96Å; T286-G302 PolarHBondContact O-N 3.49Å
303G93.9Very high90.3Very high0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-177.4-132.4179.600000112.4S10 V11 S283 S305S10-G303 CarbonylContact C-O 3.16Å; S10-G303 VanDerWaalsContact CA-O 3.3Å; S10-G303 WeakPolarHBondContact CA-O 3.37Å; V11-G303 PolarHBondContact N-O 2.88Å; S283-G303 CarbonylContact O-C 3.59Å; S283-G303 VanDerWaalsContact O-CA 3.28Å; S283-G303 WeakPolarHBondContact O-CA 3.26Å; G303-S305 PolarHBondContact O-N 3.06Å
304G92.8Very high90.8Very high22 Ų2236.7 Ų36.723%0.22720%0.197CC..SBendtrans-71.348.6-175.800000114.8P282 S283P282-G304 WeakPolarHBondContact CD-O 3.33Å; S283-G304 PolarHBondContact O-N 2.79Å
305S92.6Very high91.4Very high25 Ų2534.9 Ų34.918%0.17519%0.185CC..SBendtrans-157.9161.9178.4-171.20000110.8M9 G303 K307M9-S305 CarbonylContact O-C 3.56Å; M9-S305 WeakPolarHBondContact O-CA 3.35Å; M9-S305 PolarHBondContact O-N 3.2Å; G303-S305 PolarHBondContact O-N 3.06Å; S305-K307 PolarHBondContact O-N 3.03Å; S305-K307 PolarHBondContact OG-N 3.03Å
306S91.8Very high92Very high25 Ų2534 Ų3418%0.17518%0.175CC..SBendtrans-72-3.5168.354.50000114.7F323S306-F323 WeakPolarHBondContact O-CD2 3.43Å; S306-F323 PolarHBondContact O-N 3.23Å
307K93.3Very high92.5Very high83 Ų8337.9 Ų37.936%0.36119%0.189SC..EExtended strand (participates in β ladder)trans-106.1140.5-176.3-66-179178.4-178.10111.8T280 S305 L321T280-K307 HydrophobicContact CG2-CD 3.86Å; S305-K307 PolarHBondContact O-N 3.03Å; S305-K307 PolarHBondContact OG-N 3.03Å; K307-L321 CarbonylContact C-O 3.57Å; K307-L321 VanDerWaalsContact CA-O 3.25Å; K307-L321 WeakPolarHBondContact CA-O 3.21Å
308I95.9Very high92.7Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-112.1118.7169.9-57.2170.5000107.6V11 L23 A25 F35 V301 S320 L321 F323V11-I308 HydrophobicContact CG1-CD1 4.43Å; V11-I308 HydrophobicContact CG1-CG1 4.41Å; V11-I308 HydrophobicContact CG2-CG1 4.07Å; L23-I308 HydrophobicContact CD2-CD1 4.26Å; L23-I308 HydrophobicContact CD2-CG2 4.29Å; A25-I308 HydrophobicContact CB-CD1 3.39Å; F35-I308 HydrophobicContact CD2-CD1 4.41Å; F35-I308 HydrophobicContact CE2-CD1 3.89Å; V301-I308 CarbonylContact O-C 3.53Å; V301-I308 WeakPolarHBondContact O-CA 3.2Å; V301-I308 WeakPolarHBondContact O-CG2 3.44Å; I308-S320 CarbonylContact O-C 3.59Å; I308-S320 WeakPolarHBondContact O-CA 3.43Å; I308-L321 HydrophobicContact CB-CB 4.32Å; I308-L321 PolarHBondContact N-O 3.29Å; I308-L321 PolarHBondContact O-N 2.93Å; I308-F323 HydrophobicContact CD1-CE2 3.78Å; I308-F323 HydrophobicContact CG1-CE2 4.16Å
309D96.1Very high92.6Very high0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-80.3135.7178.6-73.5-9.6000110.9C279 T280 P281 T300 V301 F311 R317 S320C279-D309 VanDerWaalsContact CA-OD2 3.26Å; C279-D309 WeakPolarHBondContact CA-OD2 3.49Å; C279-D309 VanDerWaalsContact CB-OD2 3.29Å; C279-D309 WeakPolarHBondContact CB-OD2 3.46Å; T280-D309 WeakPolarHBondContact CB-OD1 2.95Å; T280-D309 PolarHBondContact N-OD2 3.25Å; T280-D309 VanDerWaalsContact OG1-CG 3.29Å; T280-D309 PolarHBondContact OG1-OD1 3.11Å; T280-D309 PolarHBondContact OG1-OD2 3.18Å; P281-D309 WeakPolarHBondContact CD-OD2 3.41Å; T300-D309 WeakPolarHBondContact CA-O 3.26Å; V301-D309 PolarHBondContact N-O 3.02Å; V301-D309 PolarHBondContact O-N 3.39Å; D309-F311 HydrophobicContact CB-CE2 3.73Å; D309-F311 HydrophobicContact CB-CZ 4.35Å; D309-R317 HydrophobicContact CB-CG 4.06Å; D309-R317 WeakPolarHBondContact OD1-CD 3.33Å; D309-R317 VanDerWaalsContact OD2-CD 3.29Å; D309-R317 WeakPolarHBondContact OD2-CD 3.32Å; D309-R317 IonicContact OD2-NH1 3.63Å; D309-S320 WeakPolarHBondContact OD1-CB 3.45Å; D309-S320 PolarHBondContact OD1-OG 2.98Å
310V95.6Very high92.6Very high0 Ų035.6 Ų35.60%019%0.192CC..EExtended strand (participates in β ladder)trans-115129.7-179.9-173.30000109.5V298 T300 A318 F319 L321V298-V310 HydrophobicContact CB-CG1 3.92Å; V298-V310 HydrophobicContact CG1-CG1 4.04Å; V298-V310 HydrophobicContact CG2-CG1 4.14Å; T300-V310 HydrophobicContact CG2-CG1 4.38Å; T300-V310 HydrophobicContact CG2-CG2 4.21Å; V310-A318 WeakPolarHBondContact O-CB 3.24Å; V310-A318 PolarHBondContact O-N 3.45Å; V310-F319 HydrophobicContact CB-CD1 4.49Å; V310-F319 HydrophobicContact CB-CD2 4.28Å; V310-F319 HydrophobicContact CB-CE1 4.14Å; V310-F319 HydrophobicContact CB-CE2 3.92Å; V310-F319 HydrophobicContact CB-CZ 3.85Å; V310-F319 HydrophobicContact CG1-CE1 4.03Å; V310-F319 HydrophobicContact CG1-CE2 4.31Å; V310-F319 HydrophobicContact CG1-CZ 3.77Å; V310-F319 HydrophobicContact CG2-CD2 4.24Å; V310-F319 HydrophobicContact CG2-CE2 3.74Å; V310-F319 HydrophobicContact CG2-CZ 4.06Å; V310-F319 PolarHBondContact N-O 2.82Å; V310-F319 PolarHBondContact O-N 3.2Å; V310-L321 HydrophobicContact CG2-CD1 3.92Å; V310-L321 HydrophobicContact CG2-CG 3.84Å
311F94.4Very high92.5Very high2 Ų235.7 Ų35.71%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-117.4109.8-179-64.5-101.8000108.5V264 I277 V298 L299 V301 D309 Y316 R317V264-F311 HydrophobicContact CG2-CE2 4.46Å; V264-F311 HydrophobicContact CG2-CZ 4.25Å; I277-F311 HydrophobicContact CB-CE1 4.47Å; I277-F311 HydrophobicContact CG2-CE1 3.75Å; V298-F311 VanDerWaalsContact CA-O 3.31Å; V298-F311 WeakPolarHBondContact CA-O 3.33Å; V298-F311 WeakPolarHBondContact CB-O 3.3Å; L299-F311 HydrophobicContact CB-CB 3.92Å; L299-F311 HydrophobicContact CD2-CB 4.23Å; L299-F311 HydrophobicContact CD2-CD2 4.13Å; L299-F311 HydrophobicContact CD2-CG 4.13Å; L299-F311 HydrophobicContact CG-CB 4.3Å; L299-F311 HydrophobicContact CG-CD2 4.17Å; L299-F311 HydrophobicContact CG-CG 4.43Å; L299-F311 PolarHBondContact N-O 3.22Å; L299-F311 PolarHBondContact O-N 2.85Å; V301-F311 HydrophobicContact CB-CE2 4.33Å; V301-F311 HydrophobicContact CG2-CD2 4.22Å; V301-F311 HydrophobicContact CG2-CE2 3.87Å; D309-F311 HydrophobicContact CB-CE2 3.73Å; D309-F311 HydrophobicContact CB-CZ 4.35Å; F311-Y316 VanDerWaalsContact CD1-O 3.28Å; F311-Y316 WeakPolarHBondContact CD1-O 3.34Å; F311-R317 HydrophobicContact CD1-CB 4.37Å; F311-R317 HydrophobicContact CE1-CB 3.82Å; F311-R317 HydrophobicContact CZ-CB 3.97Å; F311-R317 HydrophobicContact CZ-CG 4.45Å
312T90.6Very high92.3Very high69 Ų6937.5 Ų37.542%0.42321%0.206SC..SBendtrans-79.9-24.5171.454.20000111.8L41 V298 A318L41-T312 HydrophobicContact CD2-CG2 3.72Å; V298-T312 HydrophobicContact CG1-CG2 4.15Å; T312-A318 HydrophobicContact CG2-CB 4.01Å
313N86.8Confident91.9Very high76 Ų7639.7 Ų39.741%0.40622%0.215SC..BIsolated β-bridgetrans-128.6144.8165.9175.38.7000108.1S315 Y316N313-S315 PolarHBondContact ND2-OG 2.98Å; N313-S315 PolarHBondContact O-N 3.14Å; N313-S315 PolarHBondContact OD1-N 3.05Å; N313-S315 PolarHBondContact OD1-OG 2.87Å; N313-Y316 HydrophobicContact CB-CE1 4.39Å
314L87.6Confident91.8Very high35 Ų3541.7 Ų41.718%0.18323%0.226CC..THydrogen-bonded Turntrans-73.632.2173.1-46.7175.7000112.5M254 L256 H266 I277 L289 L299M254-L314 HydrophobicContact CE-CD1 4.42Å; L256-L314 HydrophobicContact CD1-CD2 4.43Å; H266-L314 PolarHBondContact CE1-O 2.9Å; I277-L314 WeakPolarHBondContact CD1-O 3.44Å; L289-L314 HydrophobicContact CD2-CD2 4.37Å; L299-L314 HydrophobicContact CB-CD2 3.77Å; L299-L314 HydrophobicContact CD2-CD2 3.68Å; L299-L314 HydrophobicContact CG-CD2 4.32Å
315S88.4Confident91.8Very high78 Ų7842.7 Ų42.755%0.54523%0.226SC..THydrogen-bonded Turntrans-121.4-24.7177-56.40000112.5N313N313-S315 PolarHBondContact ND2-OG 2.98Å; N313-S315 PolarHBondContact O-N 3.14Å; N313-S315 PolarHBondContact OD1-N 3.05Å; N313-S315 PolarHBondContact OD1-OG 2.87Å
316Y89.4Confident91.7Very high135 Ų13543.7 Ų43.753%0.52923%0.229SC..BIsolated β-bridgetrans-156153.7178.863.7-89.8000110.3F311 N313F311-Y316 VanDerWaalsContact CD1-O 3.28Å; F311-Y316 WeakPolarHBondContact CD1-O 3.34Å; N313-Y316 HydrophobicContact CB-CE1 4.39Å
317R92.5Very high91.7Very high104 Ų10444.8 Ų44.839%0.39223%0.232SC..  trans-70.3126.3171.9178.6-171.668.8-152.7-4109.8T280 D309 F311T280-R317 PolarHBondContact OG1-NH1 2.93Å; D309-R317 HydrophobicContact CB-CG 4.06Å; D309-R317 WeakPolarHBondContact OD1-CD 3.33Å; D309-R317 VanDerWaalsContact OD2-CD 3.29Å; D309-R317 WeakPolarHBondContact OD2-CD 3.32Å; D309-R317 IonicContact OD2-NH1 3.63Å; F311-R317 HydrophobicContact CD1-CB 4.37Å; F311-R317 HydrophobicContact CE1-CB 3.82Å; F311-R317 HydrophobicContact CZ-CB 3.97Å; F311-R317 HydrophobicContact CZ-CG 4.45Å
318A90.1Very high91.7Very high41 Ų4142.4 Ų42.434%0.33922%0.224SC..  trans-80.5-53.7178.400000111.7V310 T312V310-A318 WeakPolarHBondContact O-CB 3.24Å; V310-A318 PolarHBondContact O-N 3.45Å; T312-A318 HydrophobicContact CG2-CB 4.01Å
319F92.4Very high91.4Very high36 Ų3645.3 Ų45.316%0.15824%0.239CC..EExtended strand (participates in β ladder)trans-159.4-179.3178.361.2-86.8000110.1A40 L41 Q50 V310 L321A40-F319 HydrophobicContact CB-CE2 4Å; A40-F319 HydrophobicContact CB-CZ 4.11Å; L41-F319 HydrophobicContact CD2-CE1 3.7Å; L41-F319 HydrophobicContact CD2-CZ 3.83Å; L41-F319 HydrophobicContact CG-CZ 4.38Å; Q50-F319 HydrophobicContact CG-CD2 4.33Å; V310-F319 HydrophobicContact CB-CD1 4.49Å; V310-F319 HydrophobicContact CB-CD2 4.28Å; V310-F319 HydrophobicContact CB-CE1 4.14Å; V310-F319 HydrophobicContact CB-CE2 3.92Å; V310-F319 HydrophobicContact CB-CZ 3.85Å; V310-F319 HydrophobicContact CG1-CE1 4.03Å; V310-F319 HydrophobicContact CG1-CE2 4.31Å; V310-F319 HydrophobicContact CG1-CZ 3.77Å; V310-F319 HydrophobicContact CG2-CD2 4.24Å; V310-F319 HydrophobicContact CG2-CE2 3.74Å; V310-F319 HydrophobicContact CG2-CZ 4.06Å; V310-F319 PolarHBondContact N-O 2.82Å; V310-F319 PolarHBondContact O-N 3.2Å; F319-L321 HydrophobicContact CE2-CD2 3.9Å; F319-L321 HydrophobicContact CE2-CG 4.3Å
320S93.2Very high91Very high17 Ų1748.5 Ų48.512%0.11926%0.256CS..EExtended strand (participates in β ladder)trans-128.1135.7176.3-48.80000110.9T280 I308 D309T280-S320 PolarHBondContact OG1-OG 2.9Å; I308-S320 CarbonylContact O-C 3.59Å; I308-S320 WeakPolarHBondContact O-CA 3.43Å; D309-S320 WeakPolarHBondContact OD1-CB 3.45Å; D309-S320 PolarHBondContact OD1-OG 2.98Å
321L93.3Very high90.7Very high1 Ų152.2 Ų52.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-79.3145.4165.8-57.6168.9000108.6L23 F35 L37 A40 Q50 K307 I308 V310 F319L23-L321 HydrophobicContact CD2-CD1 3.9Å; F35-L321 HydrophobicContact CB-CD1 3.85Å; F35-L321 HydrophobicContact CD1-CB 3.89Å; F35-L321 HydrophobicContact CD1-CD1 4.14Å; F35-L321 HydrophobicContact CD1-CD2 4.18Å; F35-L321 HydrophobicContact CD1-CG 4.29Å; F35-L321 HydrophobicContact CD2-CD1 4.34Å; F35-L321 HydrophobicContact CE1-CB 3.89Å; F35-L321 HydrophobicContact CG-CB 4.36Å; F35-L321 HydrophobicContact CG-CD1 3.85Å; F35-L321 HydrophobicContact CG-CG 4.5Å; F35-L321 HydrophobicContact CZ-CB 4.38Å; L37-L321 HydrophobicContact CD2-CD1 4.17Å; A40-L321 HydrophobicContact CB-CD2 3.96Å; Q50-L321 HydrophobicContact CB-CD2 4.3Å; Q50-L321 WeakPolarHBondContact O-CA 3.44Å; K307-L321 CarbonylContact C-O 3.57Å; K307-L321 VanDerWaalsContact CA-O 3.25Å; K307-L321 WeakPolarHBondContact CA-O 3.21Å; I308-L321 HydrophobicContact CB-CB 4.32Å; I308-L321 PolarHBondContact N-O 3.29Å; I308-L321 PolarHBondContact O-N 2.93Å; V310-L321 HydrophobicContact CG2-CD1 3.92Å; V310-L321 HydrophobicContact CG2-CG 3.84Å; F319-L321 HydrophobicContact CE2-CD2 3.9Å; F319-L321 HydrophobicContact CE2-CG 4.3Å
322S92.6Very high90.4Very high39 Ų3956.4 Ų56.427%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-126.6127.7179.8-56.90000109.1F35 Q50 P52F35-S322 WeakPolarHBondContact CE1-O 3.49Å; Q50-S322 PolarHBondContact O-N 3.44Å; P52-S322 VanDerWaalsContact CD-O 3.27Å; P52-S322 WeakPolarHBondContact CD-O 3.49Å
323F87.6Confident90.4Very high46 Ų4655.3 Ų55.320%0.20229%0.287CS..  trans-58.80170.7-85.4-106.2000112.3M9 V11 A25 N27 A33 F35 P52 S306 I308M9-F323 HydrophobicContact CE-CB 3.14Å; M9-F323 HydrophobicContact CE-CD1 3.95Å; M9-F323 HydrophobicContact CE-CD2 3.8Å; M9-F323 HydrophobicContact CE-CG 3.39Å; M9-F323 HydrophobicContact SD-CB 4.17Å; M9-F323 HydrophobicContact SD-CD1 3.97Å; M9-F323 HydrophobicContact SD-CE1 4.48Å; M9-F323 HydrophobicContact SD-CG 4.03Å; V11-F323 HydrophobicContact CG2-CD2 4.2Å; V11-F323 HydrophobicContact CG2-CE2 3.42Å; V11-F323 VanDerWaalsContact CG2-CE2 3.42Å; V11-F323 HydrophobicContact CG2-CZ 4.04Å; A25-F323 HydrophobicContact CB-CE2 3.98Å; A25-F323 HydrophobicContact CB-CZ 3.6Å; N27-F323 HydrophobicContact CB-CE1 4.17Å; N27-F323 HydrophobicContact CB-CZ 4.41Å; A33-F323 HydrophobicContact CB-CD1 3.53Å; A33-F323 HydrophobicContact CB-CE1 3.29Å; A33-F323 HydrophobicContact CB-CG 4.34Å; A33-F323 HydrophobicContact CB-CZ 3.94Å; F35-F323 HydrophobicContact CE2-CD2 4.36Å; F35-F323 HydrophobicContact CE2-CE2 4.2Å; F35-F323 HydrophobicContact CE2-CZ 4.5Å; F35-F323 AromaticContact CZ-CD2 3.98Å; F35-F323 HydrophobicContact CZ-CD2 3.98Å; F35-F323 HydrophobicContact CZ-CE2 4.29Å; F35-F323 HydrophobicContact CZ-CG 4.23Å; P52-F323 WeakPolarHBondContact CD-OXT 3.41Å; P52-F323 WeakPolarHBondContact CG-OXT 3.37Å; S306-F323 WeakPolarHBondContact O-CD2 3.43Å; S306-F323 PolarHBondContact O-N 3.23Å; I308-F323 HydrophobicContact CD1-CE2 3.78Å; I308-F323 HydrophobicContact CG1-CE2 4.16Å

Retrieved 323 of 323 residues in 1187.7 ms (Link to these results)

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