A0A077ZJM8_TRITR Loading...

Scavenger receptor class B member

AlphaFold DB , UniProt , Accession A0A077ZJM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 106 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
1M23.1Very low34.1Very low220 Ų220110.2 Ų110.2100%1.08458%0.575SS**  01020-157.1-179.9-67.600106.5
2V23.9Very low35.2Very low113 Ų113105.4 Ų105.469%0.68556%0.556SS**  trans-80.6149.7174.1179.40000106.7F75V2-F75 HydrophobicContact CB-CZ 4.29Å; V2-F75 WeakPolarHBondContact O-CE1 3.33Å; V2-F75 WeakPolarHBondContact O-CZ 3.48Å
3V27.2Very low36.4Very low71 Ų7199.9 Ų99.943%0.4354%0.54SS..  trans-118118.1175.1-161.50000107.2R5 M102V3-R5 PolarHBondContact O-N 2.88Å; V3-M102 HydrophobicContact CB-CE 3.71Å; V3-M102 HydrophobicContact CB-SD 3.99Å; V3-M102 HydrophobicContact CG1-CE 3.31Å; V3-M102 HydrophobicContact CG1-CG 3.87Å; V3-M102 HydrophobicContact CG1-SD 3.48Å; V3-M102 WeakPolarHBondContact CG1-SD 3.33Å
4P30.5Very low37.6Very low27 Ų2798 Ų9818%0.17553%0.525CS..  trans-68.8127.7-179.7-13.526.4000109.6Y6 F75 M102P4-Y6 PolarHBondContact O-N 3.01Å; P4-F75 HydrophobicContact CB-CD2 4.33Å; P4-F75 VanDerWaalsContact CD-CE2 3.43Å; P4-F75 HydrophobicContact CG-CB 3.84Å; P4-F75 HydrophobicContact CG-CD1 4.41Å; P4-F75 HydrophobicContact CG-CD2 2.85Å; P4-F75 HydrophobicContact CG-CE2 3.34Å; P4-F75 HydrophobicContact CG-CG 3.45Å; P4-F75 VanDerWaalsContact CG-CG 3.45Å; P4-F75 HydrophobicContact CG-CZ 4.33Å; P4-M102 WeakPolarHBondContact O-CE 3.38Å
5R31Very low38.6Very low226 Ų22692.8 Ų92.885%0.85350%0.496SS*.  trans-82.2107.4168.7-67-179.2178-171.5-0.3107.9V3 M102V3-R5 PolarHBondContact O-N 2.88Å; R5-M102 HydrophobicContact CB-CE 4.45Å; R5-M102 HydrophobicContact CG-CE 3.8Å
6Y38.5Very low39.6Very low55 Ų5591.7 Ų91.722%0.21649%0.486CS..PPolyproline II helixtrans-67.9144.4161.5-66.4-75.1000109.3P4 R8P4-Y6 PolarHBondContact O-N 3.01Å; Y6-R8 PolarHBondContact O-N 2.95Å
7P36.6Very low40.5Very low93 Ų9393.9 Ų93.960%0.60449%0.494SS*.PPolyproline II helixtrans-56.8136.6169.223.1-30.5000108.7G9 A10P7-G9 PolarHBondContact O-N 2.72Å; P7-G9 VanDerWaalsContact O-N 3.1Å; P7-A10 PolarHBondContact O-N 3.46Å
8R39.8Very low41.1Very low233 Ų23392.8 Ų92.888%0.87949%0.485SS*.THydrogen-bonded Turntrans-51.1121.8171.7-79.5-179.1161.5-177.7-6.3108.1Y6Y6-R8 PolarHBondContact O-N 2.95Å
9G37.1Very low41.7Very low69 Ų6989 Ų8971%0.71147%0.465SS*.THydrogen-bonded Turntrans100.612.8177.800000116.4P7 T11P7-G9 PolarHBondContact O-N 2.72Å; P7-G9 VanDerWaalsContact O-N 3.1Å; G9-T11 WeakPolarHBondContact O-CG2 2.77Å; G9-T11 PolarHBondContact O-N 2.87Å
10A42.5Very low42.3Very low23 Ų2393.8 Ų93.819%0.1948%0.477CS..  trans-52.9112.9167.300000110.2P7 F14 F15P7-A10 PolarHBondContact O-N 3.46Å; A10-F14 HydrophobicContact CB-CD1 4.4Å; A10-F15 HydrophobicContact CB-CE2 4.36Å
11T44.7Very low42.8Very low82 Ų8298.5 Ų98.550%0.50349%0.49SS..  trans-89.1160.8-177.562.60000110.2G9 G13 F14 F15G9-T11 WeakPolarHBondContact O-CG2 2.77Å; G9-T11 PolarHBondContact O-N 2.87Å; T11-G13 PolarHBondContact O-N 2.97Å; T11-G13 VanDerWaalsContact O-N 3.08Å; T11-F14 WeakPolarHBondContact O-CB 2.92Å; T11-F14 PolarHBondContact O-N 2.71Å; T11-F15 WeakPolarHBondContact O-CD2 3.32Å
12P47.1Very low43.9Very low53 Ų5391.3 Ų91.334%0.34446%0.456SS..Hα-helixtrans-44.2-38.2167.2-34.440.6000114.4F14 F15 E16 R47P12-F14 VanDerWaalsContact C-N 3.32Å; P12-F14 PolarHBondContact O-N 3.5Å; P12-F15 PolarHBondContact O-N 3.03Å; P12-F15 VanDerWaalsContact O-N 3.16Å; P12-E16 WeakPolarHBondContact O-CG 2.82Å; P12-E16 PolarHBondContact O-N 2.93Å; P12-E16 VanDerWaalsContact O-N 3.08Å; P12-R47 VanDerWaalsContact CG-CZ 3.5Å
13G51.4Low44.8Very low34 Ų3489 Ų8935%0.35146%0.456SS..Hα-helixtrans-63.4-32.8178.700000113.8T11 F15 E16 E17T11-G13 PolarHBondContact O-N 2.97Å; T11-G13 VanDerWaalsContact O-N 3.08Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 2.77Å; G13-E16 PolarHBondContact O-N 2Å; G13-E17 WeakPolarHBondContact O-CB 3.48Å; G13-E17 PolarHBondContact O-N 2.97Å
14F53.6Low45.8Very low73 Ų7387.4 Ų87.432%0.3244%0.444SS..Hα-helixtrans-61.1-41.8173.6174-96.9000111.4A10 T11 P12 E17 Q18A10-F14 HydrophobicContact CB-CD1 4.4Å; T11-F14 WeakPolarHBondContact O-CB 2.92Å; T11-F14 PolarHBondContact O-N 2.71Å; P12-F14 VanDerWaalsContact C-N 3.32Å; P12-F14 PolarHBondContact O-N 3.5Å; F14-E17 PolarHBondContact O-N 2.89Å; F14-Q18 HydrophobicContact CD1-CG 4.33Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.26Å; F14-Q18 HydrophobicContact CZ-CG 3.88Å; F14-Q18 VanDerWaalsContact O-CG 3.3Å; F14-Q18 WeakPolarHBondContact O-CG 3.26Å; F14-Q18 PolarHBondContact O-N 3.2Å
15F52.7Low46.4Very low20 Ų2089.2 Ų89.29%0.08846%0.461CS..Hα-helixtrans-71.6-39.1178.5-63.1-78.4000111.9A10 T11 P12 G13 E17 Q18 L19 M49 L99 M101A10-F15 HydrophobicContact CB-CE2 4.36Å; T11-F15 WeakPolarHBondContact O-CD2 3.32Å; P12-F15 PolarHBondContact O-N 3.03Å; P12-F15 VanDerWaalsContact O-N 3.16Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 2.77Å; F15-E17 VanDerWaalsContact C-N 3.27Å; F15-E17 PolarHBondContact O-N 2.86Å; F15-Q18 PolarHBondContact O-N 3.03Å; F15-L19 WeakPolarHBondContact O-CB 2.74Å; F15-L19 VanDerWaalsContact O-CG 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.11Å; F15-L19 PolarHBondContact O-N 2.84Å; F15-M49 HydrophobicContact CB-SD 4.47Å; F15-L99 HydrophobicContact CD1-CD1 3.68Å; F15-L99 HydrophobicContact CD1-CD2 4.15Å; F15-L99 HydrophobicContact CD2-CD1 4.26Å; F15-L99 HydrophobicContact CE1-CD1 3.7Å; F15-L99 HydrophobicContact CE1-CD2 3.94Å; F15-L99 HydrophobicContact CE1-CG 4.43Å; F15-L99 HydrophobicContact CE2-CD1 4.28Å; F15-L99 HydrophobicContact CG-CD1 3.97Å; F15-L99 HydrophobicContact CZ-CD1 4Å; F15-M101 HydrophobicContact CE2-SD 4.29Å; F15-M101 HydrophobicContact CZ-SD 4.29Å
16E53.4Low47.1Very low75 Ų7580.1 Ų80.135%0.3544%0.435SS..Hα-helixtrans-59.4-41.3172.6-66.7177.2-177.400111.2P12 G13 L19 R20 L30P12-E16 WeakPolarHBondContact O-CG 2.82Å; P12-E16 PolarHBondContact O-N 2.93Å; P12-E16 VanDerWaalsContact O-N 3.08Å; G13-E16 PolarHBondContact O-N 2Å; E16-L19 PolarHBondContact O-N 2.87Å; E16-R20 WeakPolarHBondContact O-CB 3.37Å; E16-R20 VanDerWaalsContact O-CG 3.24Å; E16-R20 WeakPolarHBondContact O-CG 3.22Å; E16-R20 PolarHBondContact O-N 3.36Å; E16-L30 HydrophobicContact CG-CD1 3.27Å; E16-L30 HydrophobicContact CG-CG 4.04Å; E16-L30 WeakPolarHBondContact OE1-CD1 3.41Å
17E55.6Low47.1Very low130 Ų13082.7 Ų82.761%0.60745%0.452SS*.Hα-helixtrans-66.2-43.7176.7-171.7175.8-165.400112.1G13 F14 F15 R20 Y21G13-E17 WeakPolarHBondContact O-CB 3.48Å; G13-E17 PolarHBondContact O-N 2.97Å; F14-E17 PolarHBondContact O-N 2.89Å; F15-E17 VanDerWaalsContact C-N 3.27Å; F15-E17 PolarHBondContact O-N 2.86Å; E17-R20 PolarHBondContact O-N 2.84Å; E17-Y21 WeakPolarHBondContact O-CB 3.48Å; E17-Y21 PolarHBondContact O-N 3.35Å
18Q51.3Low47.2Very low73 Ų7380.9 Ų80.934%0.34144%0.439SS..Hα-helixtrans-65.7-38.1175.8-70.7-62.4-44.700112.5F14 F15 Y21 N22F14-Q18 HydrophobicContact CD1-CG 4.33Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.26Å; F14-Q18 HydrophobicContact CZ-CG 3.88Å; F14-Q18 VanDerWaalsContact O-CG 3.3Å; F14-Q18 WeakPolarHBondContact O-CG 3.26Å; F14-Q18 PolarHBondContact O-N 3.2Å; F15-Q18 PolarHBondContact O-N 3.03Å; Q18-Y21 PolarHBondContact O-N 2.73Å; Q18-N22 PolarHBondContact O-N 3.25Å; Q18-N22 PolarHBondContact O-ND2 2.82Å
19L53.2Low47.1Very low21 Ų2173.5 Ų73.511%0.1142%0.423CS..Hα-helixtrans-63.8-47.6174.1-72.2169.5000110.1F15 E16 Y21 N22 M24 A26 M49F15-L19 WeakPolarHBondContact O-CB 2.74Å; F15-L19 VanDerWaalsContact O-CG 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.11Å; F15-L19 PolarHBondContact O-N 2.84Å; E16-L19 PolarHBondContact O-N 2.87Å; L19-Y21 PolarHBondContact O-N 3.12Å; L19-N22 PolarHBondContact O-N 3.22Å; L19-M24 CarbonylContact C-O 3.46Å; L19-M24 VanDerWaalsContact C-O 3.23Å; L19-M24 HydrophobicContact CB-CB 4.29Å; L19-M24 HydrophobicContact CD2-CB 4.22Å; L19-M24 HydrophobicContact CD2-CE 3.65Å; L19-M24 HydrophobicContact CD2-SD 3.96Å; L19-M24 CarbonylContact O-C 3.5Å; L19-M24 WeakPolarHBondContact O-CA 3.38Å; L19-M24 VanDerWaalsContact O-CB 3.26Å; L19-M24 WeakPolarHBondContact O-CB 3.24Å; L19-M24 PolarHBondContact O-N 3.24Å; L19-M24 VanDerWaalsContact O-O 3.14Å; L19-A26 HydrophobicContact CD1-CB 4.19Å; L19-M49 HydrophobicContact CD1-CE 4.46Å
20R53.5Low47.3Very low184 Ų18471.4 Ų71.469%0.69440%0.396SS*.Hα-helixtrans-58.8-43.7174.6-75174.8-175.7-176.54.3112.6E16 E17 N22 G23E16-R20 WeakPolarHBondContact O-CB 3.37Å; E16-R20 VanDerWaalsContact O-CG 3.24Å; E16-R20 WeakPolarHBondContact O-CG 3.22Å; E16-R20 PolarHBondContact O-N 3.36Å; E17-R20 PolarHBondContact O-N 2.84Å; R20-N22 PolarHBondContact O-N 3.11Å; R20-G23 PolarHBondContact O-N 3.22Å
21Y51.4Low47Very low194 Ų19478.9 Ų78.976%0.76142%0.419SS*.Hα-helixtrans-58.8-36.4179.2-176.2-95.9000112.1E17 Q18 L19 G23E17-Y21 WeakPolarHBondContact O-CB 3.48Å; E17-Y21 PolarHBondContact O-N 3.35Å; Q18-Y21 PolarHBondContact O-N 2.73Å; L19-Y21 PolarHBondContact O-N 3.12Å; Y21-G23 PolarHBondContact O-N 3.2Å
22N47.7Very low46.6Very low68 Ų6878 Ų7836%0.36442%0.416SS..THydrogen-bonded Turntrans-83.113.1176.5-70.9-61.9000113.8Q18 L19 R20 M24Q18-N22 PolarHBondContact O-N 3.25Å; Q18-N22 PolarHBondContact O-ND2 2.82Å; L19-N22 PolarHBondContact O-N 3.22Å; R20-N22 PolarHBondContact O-N 3.11Å; N22-M24 HydrophobicContact CB-CE 3.42Å; N22-M24 VanDerWaalsContact CB-CE 3.42Å; N22-M24 HydrophobicContact CB-CG 4.21Å; N22-M24 PolarHBondContact O-N 3.31Å; N22-M24 VanDerWaalsContact O-N 3.15Å
23G42.5Very low46.2Very low66 Ų6680.3 Ų80.368%0.6843%0.425SS*.THydrogen-bonded Turntrans67.98.7-175.300000113.8R20 Y21 A25R20-G23 PolarHBondContact O-N 3.22Å; Y21-G23 PolarHBondContact O-N 3.2Å; G23-A25 VanDerWaalsContact C-N 3.34Å; G23-A25 PolarHBondContact O-N 3.43Å; G23-A25 VanDerWaalsContact O-N 3.11Å
24M46.7Very low45.7Very low36 Ų3680.5 Ų80.518%0.17743%0.427CS..  trans-85.380.4175.2-57.1-174.7-88.100107.9L19 N22 A26 F70L19-M24 CarbonylContact C-O 3.46Å; L19-M24 VanDerWaalsContact C-O 3.23Å; L19-M24 HydrophobicContact CB-CB 4.29Å; L19-M24 HydrophobicContact CD2-CB 4.22Å; L19-M24 HydrophobicContact CD2-CE 3.65Å; L19-M24 HydrophobicContact CD2-SD 3.96Å; L19-M24 CarbonylContact O-C 3.5Å; L19-M24 WeakPolarHBondContact O-CA 3.38Å; L19-M24 VanDerWaalsContact O-CB 3.26Å; L19-M24 WeakPolarHBondContact O-CB 3.24Å; L19-M24 PolarHBondContact O-N 3.24Å; L19-M24 VanDerWaalsContact O-O 3.14Å; N22-M24 HydrophobicContact CB-CE 3.42Å; N22-M24 VanDerWaalsContact CB-CE 3.42Å; N22-M24 HydrophobicContact CB-CG 4.21Å; N22-M24 PolarHBondContact O-N 3.31Å; N22-M24 VanDerWaalsContact O-N 3.15Å; M24-A26 VanDerWaalsContact C-N 3.29Å; M24-A26 PolarHBondContact O-N 2.88Å; M24-F70 HydrophobicContact CE-CE1 4.4Å
25A44.9Very low45.3Very low66 Ų6682.7 Ų82.755%0.54545%0.446SS..  trans-62.995.2166.700000108.1G23 D27G23-A25 VanDerWaalsContact C-N 3.34Å; G23-A25 PolarHBondContact O-N 3.43Å; G23-A25 VanDerWaalsContact O-N 3.11Å; A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.15Å
26A43.9Very low44.9Very low35 Ų3583.3 Ų83.329%0.28946%0.458SS..  trans-70.190.3173.600000108L19 M24 T28L19-A26 HydrophobicContact CD1-CB 4.19Å; M24-A26 VanDerWaalsContact C-N 3.29Å; M24-A26 PolarHBondContact O-N 2.88Å; A26-T28 PolarHBondContact O-N 2.97Å
27D40.6Very low44.6Very low108 Ų10885.3 Ų85.358%0.57846%0.463SS*.  trans-74.931-177.1-162.926.6000112.6A25A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.15Å
28T38Very low44.2Very low56 Ų5681 Ų8134%0.34444%0.444SS..SBendtrans-159.4130.6-175.8-22.30000111.9A26 L30 R52A26-T28 PolarHBondContact O-N 2.97Å; T28-L30 PolarHBondContact O-N 3.11Å; T28-R52 WeakPolarHBondContact OG1-CB 3.07Å
29S36.4Very low43.7Very low77 Ų7783.6 Ų83.654%0.53846%0.461SS..  trans-33.9118.917856.80000113.4R31S29-R31 PolarHBondContact O-N 3.3Å
30L41.3Very low43.3Very low25 Ų2587.5 Ų87.513%0.13149%0.49CS..  trans-63.885.7167.3-71.1-169.1000109.7E16 T28 M49E16-L30 HydrophobicContact CG-CD1 3.27Å; E16-L30 HydrophobicContact CG-CG 4.04Å; E16-L30 WeakPolarHBondContact OE1-CD1 3.41Å; T28-L30 PolarHBondContact O-N 3.11Å; L30-M49 HydrophobicContact CD1-SD 4.1Å; L30-M49 HydrophobicContact CD2-CB 4.01Å; L30-M49 HydrophobicContact CD2-CG 3.96Å; L30-M49 HydrophobicContact CD2-SD 3.6Å; L30-M49 VanDerWaalsContact CD2-SD 3.6Å; L30-M49 HydrophobicContact CG-SD 4.49Å
31R36.2Very low42.8Very low181 Ų18182 Ų8268%0.68348%0.476SS*.  trans-85.2116.6174-73.4-170.7177.8-147.1-1.1109.3S29 L33S29-R31 PolarHBondContact O-N 3.3Å; R31-L33 PolarHBondContact O-N 2.7Å
32S37.8Very low42.4Very low64 Ų6478 Ų7845%0.44847%0.468SS..  trans-62.5116.4166.2-170.20000109.4G34S32-G34 PolarHBondContact O-N 3.13Å
33L37.8Very low42Very low101 Ų10176.4 Ų76.453%0.52946%0.46SS..  trans-85.512.4173.8-63.2177.3000113.3R31 V48R31-L33 PolarHBondContact O-N 2.7Å; L33-V48 HydrophobicContact CB-CB 4.25Å; L33-V48 HydrophobicContact CD1-CB 4Å; L33-V48 HydrophobicContact CD1-CG1 3.83Å; L33-V48 HydrophobicContact CG-CB 4.44Å
34G40.4Very low42Very low37 Ų3775.4 Ų75.438%0.38144%0.439SS..  trans105.9176.2-179.200000113.4S32S32-G34 PolarHBondContact O-N 3.13Å
35T46.1Very low42Very low120 Ų12075.7 Ų75.774%0.73644%0.439SS*.EExtended strand (participates in β ladder)trans-86.6120.717247.70000108.7F45T35-F45 WeakPolarHBondContact CA-O 3.34Å
36G45.3Very low41.8Very low32 Ų3273.5 Ų73.533%0.3342%0.421SS..EExtended strand (participates in β ladder)trans-92.1158.7167.300000110.2N44 F45G36-N44 CarbonylContact O-C 3.23Å; G36-N44 WeakPolarHBondContact O-CA 3.35Å; G36-F45 PolarHBondContact N-O 2.94Å; G36-F45 PolarHBondContact O-N 3.44Å
37Y45.5Very low41.8Very low118 Ų11874.9 Ų74.946%0.46342%0.418SS..EExtended strand (participates in β ladder)trans-128.8131.8173.3-177.2-109000109N39 N42 L43 N44Y37-N39 WeakPolarHBondContact CD1-OD1 3.5Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.5Å; Y37-N42 PolarHBondContact OH-OD1 2.94Å; Y37-L43 WeakPolarHBondContact CA-O 3.48Å; Y37-N44 WeakPolarHBondContact CD2-OD1 3.3Å
38D47.2Very low41.8Very low38 Ų3871.5 Ų71.520%0.20340%0.401CS..EExtended strand (participates in β ladder)trans-105.8110.6173.2172.717.3000110.9S40 T41 N42 L43 F45D38-S40 VanDerWaalsContact CG-OG 3.26Å; D38-S40 PolarHBondContact O-N 2.9Å; D38-S40 WeakPolarHBondContact OD1-CB 3.5Å; D38-S40 PolarHBondContact OD1-N 2.85Å; D38-S40 PolarHBondContact OD1-OG 2.87Å; D38-S40 PolarHBondContact OD2-OG 3.48Å; D38-S40 VanDerWaalsContact OD2-OG 3.13Å; D38-T41 VanDerWaalsContact CG-OG1 3.24Å; D38-T41 PolarHBondContact O-N 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.47Å; D38-T41 PolarHBondContact OD2-OG1 3.05Å; D38-N42 WeakPolarHBondContact O-CA 3.35Å; D38-N42 PolarHBondContact O-N 2.81Å; D38-L43 PolarHBondContact N-O 2.67Å; D38-L43 PolarHBondContact O-N 2.93Å; D38-F45 HydrophobicContact CB-CD2 4.32Å; D38-F45 HydrophobicContact CB-CE1 4.1Å; D38-F45 HydrophobicContact CB-CE2 3.29Å; D38-F45 HydrophobicContact CB-CZ 3.15Å
39N42.1Very low42.1Very low129 Ų12969 Ų6969%0.6939%0.386SS*.THydrogen-bonded Turntrans-64.5-23.8178.7-74.2-4.7000113.4Y37Y37-N39 WeakPolarHBondContact CD1-OD1 3.5Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.5Å
40S43.7Very low42.2Very low103 Ų10369.7 Ų69.772%0.7238%0.377SS*.THydrogen-bonded Turntrans-77.8-27.2-178.671.60000112.4D38D38-S40 VanDerWaalsContact CG-OG 3.26Å; D38-S40 PolarHBondContact O-N 2.9Å; D38-S40 WeakPolarHBondContact OD1-CB 3.5Å; D38-S40 PolarHBondContact OD1-N 2.85Å; D38-S40 PolarHBondContact OD1-OG 2.87Å; D38-S40 PolarHBondContact OD2-OG 3.48Å; D38-S40 VanDerWaalsContact OD2-OG 3.13Å
41T43.6Very low42.4Very low67 Ų6768.8 Ų68.841%0.41137%0.373SS..THydrogen-bonded Turntrans-115.7-4.9-177.759.20000113.6D38 L43D38-T41 VanDerWaalsContact CG-OG1 3.24Å; D38-T41 PolarHBondContact O-N 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.47Å; D38-T41 PolarHBondContact OD2-OG1 3.05Å; T41-L43 WeakPolarHBondContact O-CG 3.38Å; T41-L43 PolarHBondContact O-N 3.34Å; T41-L43 WeakPolarHBondContact OG1-CG 3.41Å
42N43.6Very low42.5Very low111 Ų11166.6 Ų66.659%0.59436%0.364SS*.THydrogen-bonded Turntrans53.437.8-171.1-77.6-19.5000112.8Y37 D38Y37-N42 PolarHBondContact OH-OD1 2.94Å; D38-N42 WeakPolarHBondContact O-CA 3.35Å; D38-N42 PolarHBondContact O-N 2.81Å
43L39.3Very low43Very low35 Ų3566.5 Ų66.518%0.18335%0.354CS..EExtended strand (participates in β ladder)trans-110.2132.8-177.2-64.7175.7000111.5Y37 D38 T41 F45 L100 M102Y37-L43 WeakPolarHBondContact CA-O 3.48Å; D38-L43 PolarHBondContact N-O 2.67Å; D38-L43 PolarHBondContact O-N 2.93Å; T41-L43 WeakPolarHBondContact O-CG 3.38Å; T41-L43 PolarHBondContact O-N 3.34Å; T41-L43 WeakPolarHBondContact OG1-CG 3.41Å; L43-F45 HydrophobicContact CB-CE1 4.34Å; L43-L100 HydrophobicContact CB-CD2 4.29Å; L43-L100 HydrophobicContact CD1-CD2 3.52Å; L43-L100 HydrophobicContact CG-CD2 4.5Å; L43-M102 HydrophobicContact CD2-CG 4.22Å
44N41.2Very low43.2Very low44 Ų4464.1 Ų64.124%0.23535%0.346CS..EExtended strand (participates in β ladder)trans-75.1124.3161.8-72.5-47000108.7G36 Y37G36-N44 CarbonylContact O-C 3.23Å; G36-N44 WeakPolarHBondContact O-CA 3.35Å; Y37-N44 WeakPolarHBondContact CD2-OD1 3.3Å
45F48.2Very low43Very low43 Ų4368.8 Ų68.819%0.18936%0.362CS..EExtended strand (participates in β ladder)trans-88.6119.2166.2-54.2-49.2000109.2T35 G36 D38 L43 L77 L100T35-F45 WeakPolarHBondContact CA-O 3.34Å; G36-F45 PolarHBondContact N-O 2.94Å; G36-F45 PolarHBondContact O-N 3.44Å; D38-F45 HydrophobicContact CB-CD2 4.32Å; D38-F45 HydrophobicContact CB-CE1 4.1Å; D38-F45 HydrophobicContact CB-CE2 3.29Å; D38-F45 HydrophobicContact CB-CZ 3.15Å; L43-F45 HydrophobicContact CB-CE1 4.34Å; F45-L77 HydrophobicContact CD1-CD1 3.52Å; F45-L77 HydrophobicContact CD2-CD1 4.42Å; F45-L77 HydrophobicContact CE1-CD1 3.28Å; F45-L77 HydrophobicContact CE2-CD1 4.13Å; F45-L77 HydrophobicContact CG-CD1 4.1Å; F45-L77 HydrophobicContact CZ-CD1 3.57Å; F45-L77 HydrophobicContact CZ-CD2 4.39Å; F45-L100 HydrophobicContact CD1-CD2 3.66Å; F45-L100 HydrophobicContact CD1-CG 3.59Å; F45-L100 HydrophobicContact CE1-CD1 4.22Å; F45-L100 HydrophobicContact CE1-CD2 3.39Å; F45-L100 HydrophobicContact CE1-CG 3.53Å
46A39.9Very low42.6Very low19 Ų1966.9 Ų66.916%0.15735%0.35CS..EExtended strand (participates in β ladder)trans-94.5118.6169.500000108.9M101A46-M101 HydrophobicContact CB-CB 3.75Å; A46-M101 HydrophobicContact CB-CE 3.07Å; A46-M101 HydrophobicContact CB-CG 3.76Å; A46-M101 HydrophobicContact CB-SD 4.13Å
47R44.6Very low42Very low64 Ų6472.5 Ų72.524%0.24237%0.368CS..  trans75.299.7157.1-149.2175.7-113.5-137.3-1.2114.8P12 M49 L99P12-R47 VanDerWaalsContact CG-CZ 3.5Å; R47-M49 HydrophobicContact CG-CG 4.4Å; R47-L99 PolarHBondContact O-N 3.33Å
48V40.7Very low41.5Very low37 Ų3770.1 Ų70.122%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-73.8132.6156.7178.80000108.5L33 K96L33-V48 HydrophobicContact CB-CB 4.25Å; L33-V48 HydrophobicContact CD1-CB 4Å; L33-V48 HydrophobicContact CD1-CG1 3.83Å; L33-V48 HydrophobicContact CG-CB 4.44Å; V48-K96 HydrophobicContact CG1-CD 4.1Å; V48-K96 VanDerWaalsContact CG1-CE 3.45Å; V48-K96 HydrophobicContact CG1-CG 3.5Å; V48-K96 VanDerWaalsContact CG1-CG 3.5Å
49M42.5Very low40.7Very low5 Ų578 Ų783%0.02539%0.394CS..EExtended strand (participates in β ladder)trans-114.6140.6175.3-54.9-174.4-54.600109.6F15 L19 L30 R47 V97 L99F15-M49 HydrophobicContact CB-SD 4.47Å; L19-M49 HydrophobicContact CD1-CE 4.46Å; L30-M49 HydrophobicContact CD1-SD 4.1Å; L30-M49 HydrophobicContact CD2-CB 4.01Å; L30-M49 HydrophobicContact CD2-CG 3.96Å; L30-M49 HydrophobicContact CD2-SD 3.6Å; L30-M49 VanDerWaalsContact CD2-SD 3.6Å; L30-M49 HydrophobicContact CG-SD 4.49Å; R47-M49 HydrophobicContact CG-CG 4.4Å; M49-V97 HydrophobicContact CE-CG1 4.14Å; M49-V97 PolarHBondContact N-O 3.36Å; M49-V97 PolarHBondContact O-N 2.99Å; M49-L99 HydrophobicContact CE-CD1 3.4Å; M49-L99 HydrophobicContact CE-CD2 4.11Å; M49-L99 HydrophobicContact CE-CG 3.74Å; M49-L99 HydrophobicContact CG-CD1 4.21Å; M49-L99 HydrophobicContact SD-CD1 3.5Å; M49-L99 WeakPolarHBondContact SD-CD1 3.32Å; M49-L99 HydrophobicContact SD-CG 4.37Å
50W39.8Very low40.4Very low90 Ų9078.8 Ų78.834%0.34140%0.396SS..EExtended strand (participates in β ladder)trans-96.1122.6165.9-73.695.7000108R94 K96W50-R94 HydrophobicContact CE3-CB 4.21Å; W50-R94 HydrophobicContact CZ3-CB 3.89Å; W50-K96 HydrophobicContact CH2-CB 4.48Å; W50-K96 HydrophobicContact CZ3-CB 4.31Å
51V44.1Very low39.9Very low7 Ų778.5 Ų78.54%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-102.3119.1168-175.10000106.6L95 V97V51-L95 HydrophobicContact CB-CB 4.46Å; V51-L95 PolarHBondContact N-O 3.08Å; V51-L95 PolarHBondContact O-N 3.33Å; V51-V97 HydrophobicContact CG2-CG2 4.11Å
52R40Very low39.4Very low135 Ų13583.2 Ų83.251%0.50941%0.413SS..EExtended strand (participates in β ladder)trans-92.4122.8166.5-171.2-178-179.1-178.6-1.9107.1T28T28-R52 WeakPolarHBondContact OG1-CB 3.07Å
53W47.6Very low38.7Very low61 Ų6182 Ų8223%0.23143%0.427CS..  trans-90.5106.3166.1-77.6-28.1000108.5V56 I68 V93 L95W53-V56 HydrophobicContact CB-CB 4.35Å; W53-V56 HydrophobicContact CB-CG2 3.67Å; W53-V56 HydrophobicContact CD2-CG2 3.57Å; W53-V56 HydrophobicContact CE3-CG2 3.88Å; W53-V56 HydrophobicContact CG-CG2 3.48Å; W53-V56 VanDerWaalsContact CG-CG2 3.48Å; W53-I68 HydrophobicContact CH2-CD1 3.98Å; W53-I68 HydrophobicContact CZ2-CD1 4.45Å; W53-V93 HydrophobicContact CE3-CB 3.96Å; W53-V93 HydrophobicContact CE3-CG1 4.41Å; W53-V93 HydrophobicContact CE3-CG2 4.41Å; W53-L95 HydrophobicContact CD2-CD1 3.81Å; W53-L95 HydrophobicContact CE3-CD1 3.56Å; W53-L95 HydrophobicContact CH2-CD1 3.21Å; W53-L95 HydrophobicContact CZ2-CD1 3.46Å; W53-L95 VanDerWaalsContact CZ2-CD1 3.46Å; W53-L95 HydrophobicContact CZ3-CD1 3.27Å; W53-L95 HydrophobicContact CZ3-CG 4.46Å
54S41.9Very low38.2Very low51 Ų5183 Ų8336%0.35744%0.44SS..SBendtrans-84.8-26.717243.60000112.6
55D36.4Very low37.7Very low136 Ų13688.5 Ų88.573%0.72746%0.464SS*.  trans-130.324-165.7-56-64.6000114.3E57D55-E57 PolarHBondContact O-N 3.34Å
56V36.6Very low36.8Very low80 Ų8092 Ų9249%0.48549%0.494SS..  trans-74.290.2168.1177.10000107.4W53 C58W53-V56 HydrophobicContact CB-CB 4.35Å; W53-V56 HydrophobicContact CB-CG2 3.67Å; W53-V56 HydrophobicContact CD2-CG2 3.57Å; W53-V56 HydrophobicContact CE3-CG2 3.88Å; W53-V56 HydrophobicContact CG-CG2 3.48Å; W53-V56 VanDerWaalsContact CG-CG2 3.48Å; V56-C58 PolarHBondContact O-N 2.8Å
57E33.3Very low36.3Very low150 Ų15095.7 Ų95.770%0.70151%0.511SS*.  trans-50.5111.1156-75.3-171171.200106.4D55 R59D55-E57 PolarHBondContact O-N 3.34Å; E57-R59 PolarHBondContact O-N 3.36Å; E57-R59 IonicContact OE2-NE 3.8Å
58C34.4Very low35.9Very low67 Ų6797.2 Ų97.245%0.45352%0.523SS..  trans-64.479.4166.2-87.90000108.9V56 M60 C90V56-C58 PolarHBondContact O-N 2.8Å; C58-M60 PolarHBondContact O-N 3.33Å; C58-C90 HydrophobicContact CB-CB 3.64Å; C58-C90 WeakPolarHBondContact CB-SG 3.41Å; C58-C90 WeakPolarHBondContact SG-CB 3.39Å; C58-C90 CovalentContact SG-SG 2Å; C58-C90 PolarHBondContact SG-SG 3.24Å
59R32.2Very low35.5Very low203 Ų203103.9 Ų103.977%0.76655%0.549SS*.  trans-72.782.8149.3-68.2-171.3179.2-156.1-1.9105.3E57 T61E57-R59 PolarHBondContact O-N 3.36Å; E57-R59 IonicContact OE2-NE 3.8Å; R59-T61 PolarHBondContact O-N 2.85Å
60M34.2Very low35.3Very low147 Ų147106.8 Ų106.872%0.72456%0.562SS**  trans-61.293.2154.1-66-159-144.400104.8C58 D62C58-M60 PolarHBondContact O-N 3.33Å; M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 3.3Å
61T33.2Very low34.9Very low96 Ų96105.8 Ų105.859%0.58957%0.567SS**  trans-64.2101.5158.221.60000104.6R59 G63 A64R59-T61 PolarHBondContact O-N 2.85Å; T61-G63 PolarHBondContact O-N 2.69Å; T61-A64 PolarHBondContact O-N 2.87Å; T61-A64 WeakPolarHBondContact OG1-CB 2.96Å
62D33.6Very low34.3Very low167 Ų167110.7 Ų110.789%0.89360%0.601SS**THydrogen-bonded Turntrans-41.9108.2172.3-85-32.4000108.6M60M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 3.3Å
63G29.9Very low33.9Very low86 Ų86109.8 Ų109.889%0.88761%0.606SS**THydrogen-bonded Turntrans87.16.517600000118T61T61-G63 PolarHBondContact O-N 2.69Å
64A27.3Very low33.3Very low55 Ų55109.3 Ų109.346%0.45561%0.61SS.*  trans-91.4118.2170.100000110.3T61 S66T61-A64 PolarHBondContact O-N 2.87Å; T61-A64 WeakPolarHBondContact OG1-CB 2.96Å; A64-S66 PolarHBondContact O-N 3.28Å
65E30.7Very low33.1Very low159 Ų159110.1 Ų110.174%0.74361%0.608SS**  trans-48.6116.7157.7-68.6-178.5154.800108.1N67E65-N67 PolarHBondContact O-N 2.9Å; E65-N67 PolarHBondContact OE2-ND2 2.78Å
66S31.1Very low33.3Very low117 Ų117106.8 Ų106.882%0.81859%0.587SS**  trans-7375.8176.455.30000109A64 I68A64-S66 PolarHBondContact O-N 3.28Å; S66-I68 PolarHBondContact O-N 2.88Å
67N29.6Very low33.4Very low96 Ų96105.6 Ų105.651%0.51358%0.577SS.*  trans-78.1107.7174.1-72.4-36000107.9E65 F69E65-N67 PolarHBondContact O-N 2.9Å; E65-N67 PolarHBondContact OE2-ND2 2.78Å; N67-F69 HydrophobicContact CB-CD2 4.22Å; N67-F69 HydrophobicContact CB-CE2 3.79Å; N67-F69 HydrophobicContact CB-CZ 4.29Å; N67-F69 WeakPolarHBondContact O-CD2 3.02Å; N67-F69 PolarHBondContact O-N 3.25Å
68I34.5Very low33.5Very low96 Ų96103.4 Ų103.449%0.49257%0.574SS.*  trans-75.3104.5165.5-56.3174.1000106W53 S66 F70W53-I68 HydrophobicContact CH2-CD1 3.98Å; W53-I68 HydrophobicContact CZ2-CD1 4.45Å; S66-I68 PolarHBondContact O-N 2.88Å; I68-F70 HydrophobicContact CB-CE2 3.89Å; I68-F70 HydrophobicContact CB-CZ 4.18Å; I68-F70 HydrophobicContact CG2-CD1 4.37Å; I68-F70 HydrophobicContact CG2-CD2 4.05Å; I68-F70 HydrophobicContact CG2-CE1 3.79Å; I68-F70 HydrophobicContact CG2-CE2 3.44Å; I68-F70 VanDerWaalsContact CG2-CE2 3.44Å; I68-F70 HydrophobicContact CG2-CZ 3.3Å; I68-F70 PolarHBondContact O-N 3.39Å
69F33.9Very low33.6Very low177 Ų177103 Ų10378%0.77657%0.57SS**  trans-76.2106.3174.4-76.4-88.2000108.9N67N67-F69 HydrophobicContact CB-CD2 4.22Å; N67-F69 HydrophobicContact CB-CE2 3.79Å; N67-F69 HydrophobicContact CB-CZ 4.29Å; N67-F69 WeakPolarHBondContact O-CD2 3.02Å; N67-F69 PolarHBondContact O-N 3.25Å
70F36.7Very low33.6Very low67 Ų67100.9 Ų100.929%0.29457%0.569SS.*  trans-88.1142.4164.2-62.7-74.4000108.7M24 I68 S72 V74 F76M24-F70 HydrophobicContact CE-CE1 4.4Å; I68-F70 HydrophobicContact CB-CE2 3.89Å; I68-F70 HydrophobicContact CB-CZ 4.18Å; I68-F70 HydrophobicContact CG2-CD1 4.37Å; I68-F70 HydrophobicContact CG2-CD2 4.05Å; I68-F70 HydrophobicContact CG2-CE1 3.79Å; I68-F70 HydrophobicContact CG2-CE2 3.44Å; I68-F70 VanDerWaalsContact CG2-CE2 3.44Å; I68-F70 HydrophobicContact CG2-CZ 3.3Å; I68-F70 PolarHBondContact O-N 3.39Å; F70-S72 PolarHBondContact O-N 3.39Å; F70-V74 HydrophobicContact CB-CB 4.21Å; F70-F76 HydrophobicContact CB-CE2 4.26Å; F70-F76 HydrophobicContact CD1-CD2 4.4Å; F70-F76 AromaticContact CD1-CE2 3.31Å; F70-F76 HydrophobicContact CD1-CE2 3.31Å; F70-F76 AromaticContact CD1-CZ 3.65Å; F70-F76 HydrophobicContact CD1-CZ 3.65Å; F70-F76 AromaticContact CD2-CD2 3.94Å; F70-F76 HydrophobicContact CD2-CD2 3.94Å; F70-F76 AromaticContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CZ 4.37Å; F70-F76 HydrophobicContact CE1-CD2 4.45Å; F70-F76 HydrophobicContact CE1-CE1 4.22Å; F70-F76 AromaticContact CE1-CE2 3.34Å; F70-F76 HydrophobicContact CE1-CE2 3.34Å; F70-F76 AromaticContact CE1-CZ 3.2Å; F70-F76 HydrophobicContact CE1-CZ 3.2Å; F70-F76 AromaticContact CE2-CD2 3.99Å; F70-F76 HydrophobicContact CE2-CD2 3.99Å; F70-F76 AromaticContact CE2-CE2 3.62Å; F70-F76 HydrophobicContact CE2-CE2 3.62Å; F70-F76 AromaticContact CE2-CZ 4Å; F70-F76 HydrophobicContact CE2-CZ 4Å; F70-F76 HydrophobicContact CG-CD2 4.14Å; F70-F76 AromaticContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CE2 3.43Å; F70-F76 VanDerWaalsContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CZ 4.2Å; F70-F76 HydrophobicContact CZ-CD2 4.23Å; F70-F76 HydrophobicContact CZ-CE1 4.04Å; F70-F76 AromaticContact CZ-CE2 3.48Å; F70-F76 HydrophobicContact CZ-CE2 3.48Å; F70-F76 VanDerWaalsContact CZ-CE2 3.48Å; F70-F76 AromaticContact CZ-CZ 3.38Å; F70-F76 HydrophobicContact CZ-CZ 3.38Å
71P32Very low33.6Very low69 Ų6999 Ų9945%0.44856%0.561SS.*  trans-47.7139.4165.8-2231.1000108.6D73 V74P71-D73 PolarHBondContact O-N 2.89Å; P71-V74 HydrophobicContact CB-CG2 4.48Å; P71-V74 PolarHBondContact O-N 3.36Å; P71-V74 VanDerWaalsContact O-N 3.11Å
72S30.8Very low33.5Very low109 Ų109101.9 Ų101.976%0.76257%0.572SS**THydrogen-bonded Turntrans-54.2-3.1-172.5460000115.8F70F70-S72 PolarHBondContact O-N 3.39Å
73D32.8Very low33.6Very low116 Ų116102.7 Ų102.762%0.6256%0.562SS**THydrogen-bonded Turntrans-110.98.4-172.2-50.5-38.7000113.1P71P71-D73 PolarHBondContact O-N 2.89Å
74V33.9Very low33.5Very low51 Ų51107 Ų10731%0.30956%0.559SS.*  trans-107.7117.5179.7-169.50000111.3F70 P71 F76F70-V74 HydrophobicContact CB-CB 4.21Å; P71-V74 HydrophobicContact CB-CG2 4.48Å; P71-V74 PolarHBondContact O-N 3.36Å; P71-V74 VanDerWaalsContact O-N 3.11Å; V74-F76 HydrophobicContact CB-CE2 4.13Å; V74-F76 HydrophobicContact CG1-CD2 3.87Å; V74-F76 HydrophobicContact CG1-CE2 3.29Å; V74-F76 HydrophobicContact CG1-CZ 3.98Å
75F37.5Very low33.9Very low69 Ų69109.1 Ų109.130%0.30356%0.563SS.*  trans-96.4119.7175.6-87.4-121.6000110.8V2 P4V2-F75 HydrophobicContact CB-CZ 4.29Å; V2-F75 WeakPolarHBondContact O-CE1 3.33Å; V2-F75 WeakPolarHBondContact O-CZ 3.48Å; P4-F75 HydrophobicContact CB-CD2 4.33Å; P4-F75 VanDerWaalsContact CD-CE2 3.43Å; P4-F75 HydrophobicContact CG-CB 3.84Å; P4-F75 HydrophobicContact CG-CD1 4.41Å; P4-F75 HydrophobicContact CG-CD2 2.85Å; P4-F75 HydrophobicContact CG-CE2 3.34Å; P4-F75 HydrophobicContact CG-CG 3.45Å; P4-F75 VanDerWaalsContact CG-CG 3.45Å; P4-F75 HydrophobicContact CG-CZ 4.33Å
76F41.4Very low34.1Very low66 Ų66105.7 Ų105.729%0.28955%0.553SS.*EExtended strand (participates in β ladder)trans-101.4127170.6-75.7-94.3000110.1F70 V74 T78 V97F70-F76 HydrophobicContact CB-CE2 4.26Å; F70-F76 HydrophobicContact CD1-CD2 4.4Å; F70-F76 AromaticContact CD1-CE2 3.31Å; F70-F76 HydrophobicContact CD1-CE2 3.31Å; F70-F76 AromaticContact CD1-CZ 3.65Å; F70-F76 HydrophobicContact CD1-CZ 3.65Å; F70-F76 AromaticContact CD2-CD2 3.94Å; F70-F76 HydrophobicContact CD2-CD2 3.94Å; F70-F76 AromaticContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CZ 4.37Å; F70-F76 HydrophobicContact CE1-CD2 4.45Å; F70-F76 HydrophobicContact CE1-CE1 4.22Å; F70-F76 AromaticContact CE1-CE2 3.34Å; F70-F76 HydrophobicContact CE1-CE2 3.34Å; F70-F76 AromaticContact CE1-CZ 3.2Å; F70-F76 HydrophobicContact CE1-CZ 3.2Å; F70-F76 AromaticContact CE2-CD2 3.99Å; F70-F76 HydrophobicContact CE2-CD2 3.99Å; F70-F76 AromaticContact CE2-CE2 3.62Å; F70-F76 HydrophobicContact CE2-CE2 3.62Å; F70-F76 AromaticContact CE2-CZ 4Å; F70-F76 HydrophobicContact CE2-CZ 4Å; F70-F76 HydrophobicContact CG-CD2 4.14Å; F70-F76 AromaticContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CE2 3.43Å; F70-F76 VanDerWaalsContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CZ 4.2Å; F70-F76 HydrophobicContact CZ-CD2 4.23Å; F70-F76 HydrophobicContact CZ-CE1 4.04Å; F70-F76 AromaticContact CZ-CE2 3.48Å; F70-F76 HydrophobicContact CZ-CE2 3.48Å; F70-F76 VanDerWaalsContact CZ-CE2 3.48Å; F70-F76 AromaticContact CZ-CZ 3.38Å; F70-F76 HydrophobicContact CZ-CZ 3.38Å; V74-F76 HydrophobicContact CB-CE2 4.13Å; V74-F76 HydrophobicContact CG1-CD2 3.87Å; V74-F76 HydrophobicContact CG1-CE2 3.29Å; V74-F76 HydrophobicContact CG1-CZ 3.98Å; F76-T78 PolarHBondContact O-N 3.08Å; F76-V97 HydrophobicContact CD1-CG1 3.78Å; F76-V97 HydrophobicContact CE1-CG1 3.57Å
77L38.2Very low34.4Very low54 Ų54110 Ų11028%0.28356%0.559SS.*EExtended strand (participates in β ladder)trans-72.7106.2154.9-99.7150.6000107.3F45 L100F45-L77 HydrophobicContact CD1-CD1 3.52Å; F45-L77 HydrophobicContact CD2-CD1 4.42Å; F45-L77 HydrophobicContact CE1-CD1 3.28Å; F45-L77 HydrophobicContact CE2-CD1 4.13Å; F45-L77 HydrophobicContact CG-CD1 4.1Å; F45-L77 HydrophobicContact CZ-CD1 3.57Å; F45-L77 HydrophobicContact CZ-CD2 4.39Å; L77-L100 HydrophobicContact CB-CD1 4.43Å; L77-L100 HydrophobicContact CD1-CB 4.44Å; L77-L100 HydrophobicContact CD1-CD1 3.26Å; L77-L100 HydrophobicContact CD1-CD2 4.45Å; L77-L100 HydrophobicContact CD1-CG 3.42Å; L77-L100 VanDerWaalsContact CD1-CG 3.42Å; L77-L100 HydrophobicContact CG-CD1 3.46Å; L77-L100 VanDerWaalsContact CG-CD1 3.46Å; L77-L100 HydrophobicContact CG-CG 4.2Å
78T36Very low34.9Very low105 Ų105113.4 Ų113.464%0.64457%0.572SS**  trans34.396.8159.546.20000114.5F76 Q80F76-T78 PolarHBondContact O-N 3.08Å; T78-Q80 PolarHBondContact O-N 3.44Å
79V36.9Very low35Very low59 Ų59111.8 Ų111.836%0.35858%0.579SS.*  trans-6489.6151.6178.40000106.2L81 L95V79-L81 HydrophobicContact CG1-CD1 4.28Å; V79-L81 HydrophobicContact CG1-CG 3.91Å; V79-L81 PolarHBondContact O-N 3.16Å; V79-L95 HydrophobicContact CG1-CD2 3.3Å
80Q32.5Very low35.3Very low158 Ų158106.6 Ų106.674%0.73857%0.565SS**  trans-66.587.5155.7-87.9-173.1-16.400105.2T78 L82T78-Q80 PolarHBondContact O-N 3.44Å; Q80-L82 PolarHBondContact O-N 3.4Å
81L33.2Very low35.6Very low108 Ų108105.7 Ų105.757%0.56557%0.574SS**  trans-53102156.4-94.8146.3000104.8V79 R83V79-L81 HydrophobicContact CG1-CD1 4.28Å; V79-L81 HydrophobicContact CG1-CG 3.91Å; V79-L81 PolarHBondContact O-N 3.16Å; L81-R83 HydrophobicContact CB-CB 4.34Å; L81-R83 PolarHBondContact O-N 2.96Å
82L31.7Very low36.1Very low155 Ų155106.9 Ų106.981%0.81258%0.582SS**  trans-66.670.8159.6-84.6162.5000106.2Q80 Q84Q80-L82 PolarHBondContact O-N 3.4Å; L82-Q84 PolarHBondContact O-N 3.38Å
83R34.6Very low36.6Very low184 Ų184104.6 Ų104.669%0.69456%0.563SS**  trans-81.673.1175.1-166174.4-177.3159.711.2106.9L81 L85L81-R83 HydrophobicContact CB-CB 4.34Å; L81-R83 PolarHBondContact O-N 2.96Å; R83-L85 HydrophobicContact CG-CB 3.63Å; R83-L85 HydrophobicContact CG-CD1 3.68Å; R83-L85 HydrophobicContact CG-CG 3.72Å; R83-L85 VanDerWaalsContact CZ-CD1 3.44Å
84Q27.8Very low37Very low177 Ų177107.3 Ų107.383%0.82757%0.565SS**  -85.571.9129.3-83-177.1-30.900105.5L82 T86L82-Q84 PolarHBondContact O-N 3.38Å; Q84-T86 PolarHBondContact O-N 3.43Å
85L35.6Very low37.4Very low100 Ų100105.5 Ų105.552%0.52455%0.553SS.*  trans-66.580.8150.9-89.2168.1000104.1R83 Q87R83-L85 HydrophobicContact CG-CB 3.63Å; R83-L85 HydrophobicContact CG-CD1 3.68Å; R83-L85 HydrophobicContact CG-CG 3.72Å; R83-L85 VanDerWaalsContact CZ-CD1 3.44Å; L85-Q87 PolarHBondContact O-N 2.97Å
86T35Very low37.6Very low87 Ų87107.7 Ų107.753%0.53456%0.562SS.*  trans-52.5135.8156.743.40000105.4Q84 E88Q84-T86 PolarHBondContact O-N 3.43Å; T86-E88 PolarHBondContact O-N 2.92Å
87Q37.6Very low37.7Very low206 Ų206105.2 Ų105.296%0.96355%0.553SS**SBendtrans-63.319.1-179.9-69.4174.5-27.200113.2L85L85-Q87 PolarHBondContact O-N 2.97Å
88E40.2Very low37.7Very low168 Ų168103.4 Ų103.479%0.78555%0.547SS*.SBendtrans-123.285.2-172.7-66.4-169151.700108.9T86T86-E88 PolarHBondContact O-N 2.92Å
89G36.8Very low38.1Very low62 Ų6298.9 Ų98.964%0.63952%0.519SS*.  trans81.3144.6158.200000116.8G91G89-G91 VanDerWaalsContact C-N 3.29Å; G89-G91 PolarHBondContact O-N 2.73Å
90C40.2Very low38.1Very low69 Ų6997.6 Ų97.647%0.46651%0.51SS..  trans-74.584.5171.5-71.70000110.4C58C58-C90 HydrophobicContact CB-CB 3.64Å; C58-C90 WeakPolarHBondContact CB-SG 3.41Å; C58-C90 WeakPolarHBondContact SG-CB 3.39Å; C58-C90 CovalentContact SG-SG 2Å; C58-C90 PolarHBondContact SG-SG 3.24Å
91G42.5Very low38.2Very low47 Ų4792.6 Ų92.649%0.48549%0.487SS..PPolyproline II helixtrans-78.8163.8167.700000112G89 V93G89-G91 VanDerWaalsContact C-N 3.29Å; G89-G91 PolarHBondContact O-N 2.73Å; G91-V93 PolarHBondContact O-N 2.98Å; G91-V93 VanDerWaalsContact O-N 3.12Å
92P42.3Very low38.1Very low95 Ų9590.9 Ų90.962%0.61748%0.477SS*.PPolyproline II helixtrans-60.3116.9177.525-33.4000110.5
93V42.5Very low38.1Very low61 Ų6189.4 Ų89.437%0.3747%0.466SS..PPolyproline II helixtrans-76.9127.4176.2-174.80000108.8W53 G91 L95W53-V93 HydrophobicContact CE3-CB 3.96Å; W53-V93 HydrophobicContact CE3-CG1 4.41Å; W53-V93 HydrophobicContact CE3-CG2 4.41Å; G91-V93 PolarHBondContact O-N 2.98Å; G91-V93 VanDerWaalsContact O-N 3.12Å; V93-L95 HydrophobicContact CG1-CD1 4.41Å; V93-L95 HydrophobicContact CG1-CG 4.01Å
94R40.4Very low37.7Very low173 Ų17385.9 Ų85.965%0.65347%0.465SS*.EExtended strand (participates in β ladder)trans-95.1104.9170.7-63.4-179.670.81692.9108.8W50W50-R94 HydrophobicContact CE3-CB 4.21Å; W50-R94 HydrophobicContact CZ3-CB 3.89Å
95L43.4Very low37.8Very low12 Ų1282.5 Ų82.56%0.06346%0.46CS..EExtended strand (participates in β ladder)trans-94.1122.7175-78.2156.1000109.8V51 W53 V79 V93 V97V51-L95 HydrophobicContact CB-CB 4.46Å; V51-L95 PolarHBondContact N-O 3.08Å; V51-L95 PolarHBondContact O-N 3.33Å; W53-L95 HydrophobicContact CD2-CD1 3.81Å; W53-L95 HydrophobicContact CE3-CD1 3.56Å; W53-L95 HydrophobicContact CH2-CD1 3.21Å; W53-L95 HydrophobicContact CZ2-CD1 3.46Å; W53-L95 VanDerWaalsContact CZ2-CD1 3.46Å; W53-L95 HydrophobicContact CZ3-CD1 3.27Å; W53-L95 HydrophobicContact CZ3-CG 4.46Å; V79-L95 HydrophobicContact CG1-CD2 3.3Å; V93-L95 HydrophobicContact CG1-CD1 4.41Å; V93-L95 HydrophobicContact CG1-CG 4.01Å; L95-V97 HydrophobicContact CB-CG2 4.43Å
96K40.1Very low37.4Very low115 Ų11589.5 Ų89.550%0.549%0.49SS..EExtended strand (participates in β ladder)trans-90.9106.2166.7-170.1-179.2-176.9-173.60107.3V48 W50V48-K96 HydrophobicContact CG1-CD 4.1Å; V48-K96 VanDerWaalsContact CG1-CE 3.45Å; V48-K96 HydrophobicContact CG1-CG 3.5Å; V48-K96 VanDerWaalsContact CG1-CG 3.5Å; W50-K96 HydrophobicContact CH2-CB 4.48Å; W50-K96 HydrophobicContact CZ3-CB 4.31Å
97V43.9Very low37.5Very low14 Ų1489.7 Ų89.79%0.08549%0.488CS..EExtended strand (participates in β ladder)trans-99.5114.5176.9176.60000107.6M49 V51 F76 L95M49-V97 HydrophobicContact CE-CG1 4.14Å; M49-V97 PolarHBondContact N-O 3.36Å; M49-V97 PolarHBondContact O-N 2.99Å; V51-V97 HydrophobicContact CG2-CG2 4.11Å; F76-V97 HydrophobicContact CD1-CG1 3.78Å; F76-V97 HydrophobicContact CE1-CG1 3.57Å; L95-V97 HydrophobicContact CB-CG2 4.43Å
98G39.2Very low37.5Very low16 Ų1683.5 Ų83.517%0.16546%0.463CS..EExtended strand (participates in β ladder)trans-90.1123169.900000110.4
99L43.8Very low37.3Very low10 Ų1078.8 Ų78.85%0.05245%0.445CS..EExtended strand (participates in β ladder)trans-92132.4171.3-67.2170.8000110.6F15 R47 M49F15-L99 HydrophobicContact CD1-CD1 3.68Å; F15-L99 HydrophobicContact CD1-CD2 4.15Å; F15-L99 HydrophobicContact CD2-CD1 4.26Å; F15-L99 HydrophobicContact CE1-CD1 3.7Å; F15-L99 HydrophobicContact CE1-CD2 3.94Å; F15-L99 HydrophobicContact CE1-CG 4.43Å; F15-L99 HydrophobicContact CE2-CD1 4.28Å; F15-L99 HydrophobicContact CG-CD1 3.97Å; F15-L99 HydrophobicContact CZ-CD1 4Å; R47-L99 PolarHBondContact O-N 3.33Å; M49-L99 HydrophobicContact CE-CD1 3.4Å; M49-L99 HydrophobicContact CE-CD2 4.11Å; M49-L99 HydrophobicContact CE-CG 3.74Å; M49-L99 HydrophobicContact CG-CD1 4.21Å; M49-L99 HydrophobicContact SD-CD1 3.5Å; M49-L99 WeakPolarHBondContact SD-CD1 3.32Å; M49-L99 HydrophobicContact SD-CG 4.37Å
100L36Very low37.3Very low33 Ų3379.8 Ų79.817%0.17343%0.433CS..PPolyproline II helixtrans-88.6118.5167.5-105.1141.9000108.1L43 F45 L77L43-L100 HydrophobicContact CB-CD2 4.29Å; L43-L100 HydrophobicContact CD1-CD2 3.52Å; L43-L100 HydrophobicContact CG-CD2 4.5Å; F45-L100 HydrophobicContact CD1-CD2 3.66Å; F45-L100 HydrophobicContact CD1-CG 3.59Å; F45-L100 HydrophobicContact CE1-CD1 4.22Å; F45-L100 HydrophobicContact CE1-CD2 3.39Å; F45-L100 HydrophobicContact CE1-CG 3.53Å; L77-L100 HydrophobicContact CB-CD1 4.43Å; L77-L100 HydrophobicContact CD1-CB 4.44Å; L77-L100 HydrophobicContact CD1-CD1 3.26Å; L77-L100 HydrophobicContact CD1-CD2 4.45Å; L77-L100 HydrophobicContact CD1-CG 3.42Å; L77-L100 VanDerWaalsContact CD1-CG 3.42Å; L77-L100 HydrophobicContact CG-CD1 3.46Å; L77-L100 VanDerWaalsContact CG-CD1 3.46Å; L77-L100 HydrophobicContact CG-CG 4.2Å
101M34.8Very low37.2Very low52 Ų5280.5 Ų80.526%0.25643%0.431SS..  trans-116114.1167.6-63.6-152.2-59.100108.7F15 A46 Q103F15-M101 HydrophobicContact CE2-SD 4.29Å; F15-M101 HydrophobicContact CZ-SD 4.29Å; A46-M101 HydrophobicContact CB-CB 3.75Å; A46-M101 HydrophobicContact CB-CE 3.07Å; A46-M101 HydrophobicContact CB-CG 3.76Å; A46-M101 HydrophobicContact CB-SD 4.13Å; M101-Q103 PolarHBondContact O-N 3.25Å
102M31.1Very low36.8Very low72 Ų7282.7 Ų82.736%0.35543%0.428SS..  trans-62.5106.1172.7-85.8-167.6-78.600110V3 P4 R5 L43V3-M102 HydrophobicContact CB-CE 3.71Å; V3-M102 HydrophobicContact CB-SD 3.99Å; V3-M102 HydrophobicContact CG1-CE 3.31Å; V3-M102 HydrophobicContact CG1-CG 3.87Å; V3-M102 HydrophobicContact CG1-SD 3.48Å; V3-M102 WeakPolarHBondContact CG1-SD 3.33Å; P4-M102 WeakPolarHBondContact O-CE 3.38Å; R5-M102 HydrophobicContact CB-CE 4.45Å; R5-M102 HydrophobicContact CG-CE 3.8Å; L43-M102 HydrophobicContact CD2-CG 4.22Å
103Q32.6Very low36.4Very low125 Ų12581.9 Ų81.958%0.58441%0.414SS*.  trans-106.5106.1153.4-74.3-173.1-25.600107.1M101 C105M101-Q103 PolarHBondContact O-N 3.25Å; Q103-C105 PolarHBondContact O-N 3.1Å
104T26.6Very low36Very low110 Ų11083.5 Ų83.568%0.67542%0.418SS*.  trans-65.6119.6163.649.40000107.6Q106T104-Q106 PolarHBondContact O-N 3.17Å; T104-Q106 VanDerWaalsContact O-N 3.17Å
105C28.7Very low35.6Very low106 Ų10676 Ų7672%0.71640%0.398SS*.  trans-58.8116.3163.8-64.10000107.9Q103Q103-C105 PolarHBondContact O-N 3.1Å
106Q26.9Very low34.9Very low247 Ų24781.8 Ų81.8100%1.15443%0.429SS*.  trans-1020149.5-75.1-168.6-44.400106.8T104T104-Q106 PolarHBondContact O-N 3.17Å; T104-Q106 VanDerWaalsContact O-N 3.17Å

Retrieved 106 of 106 residues in 160 ms (Link to these results)