G4M1R1_SCHMA Loading...

Smp_205270

AlphaFold DB , UniProt , Accession G4M1R1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 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
1M58.3Low70.6Confident203 Ų203102.2 Ų102.2100%152%0.52SS*.  0-44.30-68-175.5-59.500109.9E3 V4 S5M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.25Å; M1-V4 PolarHBondContact O-N 3.34Å; M1-S5 PolarHBondContact O-N 3.27Å
2E59.5Low72Confident148 Ų14894.8 Ų94.869%0.69248%0.482SS*.Hα-helixtrans-48.1-46.7175.7-62.5170.9151.700114.4V4 S5 L6E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.16Å; E2-S5 PolarHBondContact O-N 3.25Å; E2-L6 PolarHBondContact O-N 3.21Å; E2-L6 VanDerWaalsContact O-N 3.16Å
3E62.4Low73.6Confident157 Ų15793.9 Ų93.973%0.73449%0.487SS*.Hα-helixtrans-64.6-28.3-179.3-67.9-173.2139.700114.4M1 K7M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.25Å; E3-K7 WeakPolarHBondContact O-CG 3.38Å
4V62.1Low74.9Confident91 Ų9192.5 Ų92.555%0.55248%0.484SS*.Hα-helixtrans-77.9-47.3178.5-179.30000108.7M1 E2 L6 K7 L8M1-V4 PolarHBondContact O-N 3.34Å; E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.16Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.05Å; V4-K7 PolarHBondContact O-N 3.18Å; V4-L8 HydrophobicContact CG1-CD1 3.99Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 VanDerWaalsContact O-CG 3.22Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.05Å
5S68.4Low76.3Confident10 Ų1089.5 Ų89.57%0.0747%0.474CS..Hα-helixtrans-57.5-36.2179.7-62.10000113.2M1 E2 L8 I60M1-S5 PolarHBondContact O-N 3.27Å; E2-S5 PolarHBondContact O-N 3.25Å; S5-L8 WeakPolarHBondContact O-CB 3.22Å; S5-I60 PolarHBondContact OG-O 2.85Å
6L70.9Confident77.6Confident86 Ų8687.9 Ų87.945%0.4547%0.469SS..Hα-helixtrans-74.1-41.1179-66176.6000113.3E2 V4 L8 L9 I57E2-L6 PolarHBondContact O-N 3.21Å; E2-L6 VanDerWaalsContact O-N 3.16Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.05Å; L6-L8 PolarHBondContact O-N 3.5Å; L6-L9 HydrophobicContact CD2-CD1 3.84Å; L6-L9 WeakPolarHBondContact O-CB 3.41Å; L6-L9 PolarHBondContact O-N 3.22Å; L6-I57 HydrophobicContact CD2-CG2 4.23Å
7K74.6Confident78.7Confident143 Ų14382.9 Ų82.962%0.62244%0.442SS*.Hα-helixtrans-63.4-25.2175.6-71177.5-177.7176.90112.9E3 V4 L9 D10E3-K7 WeakPolarHBondContact O-CG 3.38Å; V4-K7 PolarHBondContact O-N 3.18Å; K7-L9 VanDerWaalsContact C-N 3.28Å; K7-D10 PolarHBondContact O-N 3.26Å
8L73.2Confident79.7Confident30 Ų3085.7 Ų85.716%0.15746%0.456CS..Hα-helixtrans-71.5-23.6176.9-75.8176.2000112.1V4 S5 L6 V11 I60 L64 F74V4-L8 HydrophobicContact CG1-CD1 3.99Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 VanDerWaalsContact O-CG 3.22Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.05Å; S5-L8 WeakPolarHBondContact O-CB 3.22Å; L6-L8 PolarHBondContact O-N 3.5Å; L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L8-I60 HydrophobicContact CB-CD1 4.46Å; L8-L64 HydrophobicContact CD1-CD1 4.48Å; L8-L64 HydrophobicContact CD1-CD2 4.19Å; L8-F74 HydrophobicContact CB-CE1 4.31Å; L8-F74 HydrophobicContact CB-CE2 3.51Å; L8-F74 HydrophobicContact CB-CZ 3.36Å; L8-F74 HydrophobicContact CD1-CD2 3.94Å; L8-F74 HydrophobicContact CD1-CE2 3.51Å; L8-F74 HydrophobicContact CD1-CZ 4.22Å; L8-F74 HydrophobicContact CD2-CD1 4.06Å; L8-F74 HydrophobicContact CD2-CD2 3.8Å; L8-F74 HydrophobicContact CD2-CE1 3.77Å; L8-F74 HydrophobicContact CD2-CE2 3.51Å; L8-F74 HydrophobicContact CD2-CG 4.1Å; L8-F74 HydrophobicContact CD2-CZ 3.51Å; L8-F74 HydrophobicContact CG-CD2 4.28Å; L8-F74 HydrophobicContact CG-CE2 3.64Å; L8-F74 HydrophobicContact CG-CZ 3.81Å; L8-F74 WeakPolarHBondContact O-CZ 3.35Å
9L80.1Confident80.6Confident15 Ų1584.3 Ų84.38%0.07945%0.449CS..Hα-helixtrans-72.1-34175.4-63.5162.8000112L6 K7 V11 L12 I43 F56 I57 I60L6-L9 HydrophobicContact CD2-CD1 3.84Å; L6-L9 WeakPolarHBondContact O-CB 3.41Å; L6-L9 PolarHBondContact O-N 3.22Å; K7-L9 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.28Å; L9-L12 PolarHBondContact O-N 3.05Å; L9-L12 VanDerWaalsContact O-N 3.09Å; L9-I43 HydrophobicContact CD2-CD1 3.87Å; L9-F56 HydrophobicContact CD2-CD1 3.91Å; L9-F56 HydrophobicContact CD2-CE1 4.11Å; L9-I57 HydrophobicContact CD1-CB 4.19Å; L9-I57 HydrophobicContact CD1-CD1 3.93Å; L9-I57 HydrophobicContact CD1-CG1 3.52Å; L9-I57 HydrophobicContact CD1-CG2 4.03Å; L9-I57 HydrophobicContact CD2-CG1 3.98Å; L9-I57 HydrophobicContact CG-CG1 4.37Å; L9-I60 HydrophobicContact CD2-CD1 4.45Å; L9-I60 HydrophobicContact CD2-CG2 4.04Å; L9-I60 HydrophobicContact CG-CG2 4.37Å
10D82.6Confident81.3Confident140 Ų14084.1 Ų84.175%0.74945%0.451SS*.THydrogen-bonded Turntrans-62.5-18.2-177.5-64.8-28.1000113.5K7K7-D10 PolarHBondContact O-N 3.26Å
11V84Confident82Confident101 Ų10187.3 Ų87.361%0.61246%0.461SS*.THydrogen-bonded Turntrans-100.5-10.9-179.8-62.20000113.5L8 L9 F74L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L9-V11 PolarHBondContact O-N 3.28Å; V11-F74 HydrophobicContact CG2-CE1 3.55Å; V11-F74 HydrophobicContact CG2-CZ 4.24Å
12L88.1Confident83.7Confident13 Ų1379.8 Ų79.87%0.06843%0.425CS..SBendtrans-85.8140.6-178.3-70.2171.6000110.5L9 T14 I43 L45 F56 V73 F74L9-L12 PolarHBondContact O-N 3.05Å; L9-L12 VanDerWaalsContact O-N 3.09Å; L12-T14 PolarHBondContact O-N 3.46Å; L12-T14 VanDerWaalsContact O-N 3.12Å; L12-I43 HydrophobicContact CB-CD1 3.64Å; L12-I43 HydrophobicContact CB-CG1 3.84Å; L12-I43 HydrophobicContact CD1-CD1 3.75Å; L12-I43 HydrophobicContact CD1-CG1 4.27Å; L12-I43 HydrophobicContact CG-CD1 4.36Å; L12-L45 HydrophobicContact CD1-CD2 4Å; L12-L45 HydrophobicContact CD2-CD2 4.35Å; L12-F56 HydrophobicContact CD1-CE1 3.71Å; L12-F56 HydrophobicContact CD1-CZ 4.44Å; L12-V73 HydrophobicContact CD1-CG1 3.62Å; L12-V73 HydrophobicContact CD2-CG1 4.02Å; L12-V73 HydrophobicContact CG-CG1 4.38Å; L12-F74 HydrophobicContact CD1-CZ 4.21Å; L12-F74 HydrophobicContact CD2-CE1 4.26Å; L12-F74 HydrophobicContact CD2-CZ 4.38Å; L12-F74 HydrophobicContact CG-CE1 4.4Å; L12-F74 HydrophobicContact CG-CZ 4.24Å
13P92.3Very high85.4Confident84 Ų8474.1 Ų74.155%0.54540%0.4SS..  trans-60.3116.9175.8-23.832000112.3R44P13-R44 WeakPolarHBondContact CD-O 3.27Å; P13-R44 PolarHBondContact O-N 3.24Å
14T92.8Very high86.9Confident74 Ų7474.8 Ų74.845%0.45440%0.401SS..EExtended strand (participates in β ladder)trans-109.2148.2170.556.80000111L12 V42 I43L12-T14 PolarHBondContact O-N 3.46Å; L12-T14 VanDerWaalsContact O-N 3.12Å; T14-V42 CarbonylContact C-O 3.57Å; T14-V42 WeakPolarHBondContact CA-O 3.11Å; T14-I43 HydrophobicContact CG2-CB 4.29Å; T14-I43 HydrophobicContact CG2-CD1 4.1Å; T14-I43 HydrophobicContact CG2-CG1 4.16Å
15S95.1Very high88.4Confident47 Ų4777 Ų7733%0.32941%0.409SS..EExtended strand (participates in β ladder)trans-154.9152.5179.159.20000111.2V42S15-V42 PolarHBondContact N-O 3.46Å; S15-V42 WeakPolarHBondContact O-CG2 3.34Å; S15-V42 PolarHBondContact O-N 3.41Å; S15-V42 VanDerWaalsContact OG-CG2 3.31Å; S15-V42 WeakPolarHBondContact OG-CG2 3.43Å
16V97.2Very high89.6Confident65 Ų6577.7 Ų77.739%0.39441%0.412SS..EExtended strand (participates in β ladder)trans-96.5136.7171.2-177.40000109.1L18 D40 E41V16-L18 HydrophobicContact CB-CD2 4.2Å; V16-L18 HydrophobicContact CG1-CD2 4.1Å; V16-L18 PolarHBondContact O-N 3.41Å; V16-D40 WeakPolarHBondContact CA-O 3.16Å; V16-E41 HydrophobicContact CG2-CG 4Å
17L97.1Very high90.6Very high3 Ų379.7 Ų79.72%0.01642%0.423CS..  trans-75.2110.2173.4-54.2-177.1000109.7D22 V23 L26 Y36 G39 D40 V42L17-D22 HydrophobicContact CB-CB 4.18Å; L17-D22 HydrophobicContact CD2-CB 3.99Å; L17-V23 HydrophobicContact CB-CG2 4.14Å; L17-V23 HydrophobicContact CD1-CG2 4.03Å; L17-L26 HydrophobicContact CD1-CD1 3.97Å; L17-L26 HydrophobicContact CD2-CD1 3.84Å; L17-Y36 HydrophobicContact CD1-CD1 4.05Å; L17-Y36 HydrophobicContact CD1-CG 4.07Å; L17-G39 PolarHBondContact O-N 3.25Å; L17-D40 HydrophobicContact CD1-CB 4.2Å; L17-D40 PolarHBondContact N-O 3.16Å; L17-V42 HydrophobicContact CD1-CG1 3.99Å; L17-V42 HydrophobicContact CD2-CG1 4.14Å; L17-V42 HydrophobicContact CD2-CG2 3.83Å; L17-V42 HydrophobicContact CG-CG1 3.98Å; L17-V42 HydrophobicContact CG-CG2 4.42Å
18L96.9Very high91.6Very high132 Ų13275.9 Ų75.969%0.69141%0.407SS*.  trans-94-21.8-169.3-61.8179.2000113.3V16 D22V16-L18 HydrophobicContact CB-CD2 4.2Å; V16-L18 HydrophobicContact CG1-CD2 4.1Å; V16-L18 PolarHBondContact O-N 3.41Å; L18-D22 PolarHBondContact N-OD2 3.38Å
19N96.3Very high92.8Very high59 Ų5974.4 Ų74.432%0.31640%0.4SS..SBendtrans-150173.8-17567.271.1000112.8F21 D22 V23N19-F21 PolarHBondContact O-N 3.07Å; N19-F21 VanDerWaalsContact OD1-CA 3.29Å; N19-F21 WeakPolarHBondContact OD1-CA 3.26Å; N19-F21 WeakPolarHBondContact OD1-CB 3.31Å; N19-F21 WeakPolarHBondContact OD1-CD2 3.5Å; N19-F21 PolarHBondContact OD1-N 3.27Å; N19-D22 PolarHBondContact N-OD2 3Å; N19-D22 VanDerWaalsContact N-OD2 3.1Å; N19-D22 VanDerWaalsContact ND2-CG 3.35Å; N19-D22 PolarHBondContact ND2-OD1 3.12Å; N19-D22 PolarHBondContact ND2-OD2 3Å; N19-D22 PolarHBondContact O-N 3.22Å; N19-D22 PolarHBondContact OD1-N 3.09Å; N19-D22 VanDerWaalsContact OD1-N 3.14Å; N19-V23 PolarHBondContact O-N 3.15Å
20V95Very high93.6Very high80 Ų8076.6 Ų76.649%0.48541%0.413SS..Hα-helixtrans-64-24.5-179.1-65.60000114.1K24 I38V20-K24 WeakPolarHBondContact O-CB 3.46Å; V20-K24 WeakPolarHBondContact O-CG 3.37Å; V20-K24 PolarHBondContact O-N 3.21Å; V20-K24 VanDerWaalsContact O-N 3.08Å; V20-I38 HydrophobicContact CG1-CD1 3.86Å
21F94.9Very high94.2Very high153 Ų15372.4 Ų72.467%0.67139%0.39SS*.Hα-helixtrans-71.9-43.8175-60.4-84.4000110.5N19 V23 K24 L25N19-F21 PolarHBondContact O-N 3.07Å; N19-F21 VanDerWaalsContact OD1-CA 3.29Å; N19-F21 WeakPolarHBondContact OD1-CA 3.26Å; N19-F21 WeakPolarHBondContact OD1-CB 3.31Å; N19-F21 WeakPolarHBondContact OD1-CD2 3.5Å; N19-F21 PolarHBondContact OD1-N 3.27Å; F21-V23 VanDerWaalsContact C-N 3.31Å; F21-V23 PolarHBondContact O-N 3.45Å; F21-K24 PolarHBondContact O-N 3.47Å; F21-L25 WeakPolarHBondContact O-CG 3.48Å; F21-L25 PolarHBondContact O-N 3.32Å; F21-L25 VanDerWaalsContact O-N 3.13Å
22D94.9Very high94.9Very high44 Ų4469.8 Ų69.824%0.23538%0.376CS..Hα-helixtrans-58.6-45.5177.2-52.9-26.6000110.9L17 L18 N19 L25L17-D22 HydrophobicContact CB-CB 4.18Å; L17-D22 HydrophobicContact CD2-CB 3.99Å; L18-D22 PolarHBondContact N-OD2 3.38Å; N19-D22 PolarHBondContact N-OD2 3Å; N19-D22 VanDerWaalsContact N-OD2 3.1Å; N19-D22 VanDerWaalsContact ND2-CG 3.35Å; N19-D22 PolarHBondContact ND2-OD1 3.12Å; N19-D22 PolarHBondContact ND2-OD2 3Å; N19-D22 PolarHBondContact O-N 3.22Å; N19-D22 PolarHBondContact OD1-N 3.09Å; N19-D22 VanDerWaalsContact OD1-N 3.14Å; D22-L25 PolarHBondContact O-N 2.9Å
23V95.2Very high95.3Very high29 Ų2975 Ų7518%0.17640%0.401CS..Hα-helixtrans-62.4-45.6176.8174.80000111.3L17 N19 F21 L25 L26 Y36 I38L17-V23 HydrophobicContact CB-CG2 4.14Å; L17-V23 HydrophobicContact CD1-CG2 4.03Å; N19-V23 PolarHBondContact O-N 3.15Å; F21-V23 VanDerWaalsContact C-N 3.31Å; F21-V23 PolarHBondContact O-N 3.45Å; V23-L25 PolarHBondContact O-N 2.89Å; V23-L26 CarbonylContact O-C 3.58Å; V23-L26 PolarHBondContact O-N 3.17Å; V23-Y36 WeakPolarHBondContact CG1-O 3.43Å; V23-I38 HydrophobicContact CG2-CG1 3.83Å
24K93.3Very high95.6Very high171 Ų17177.2 Ų77.274%0.74340%0.404SS*.Hα-helixtrans-66.4-20.3-178.8-80.1178.1178.7-1770114.5V20 F21 L26V20-K24 WeakPolarHBondContact O-CB 3.46Å; V20-K24 WeakPolarHBondContact O-CG 3.37Å; V20-K24 PolarHBondContact O-N 3.21Å; V20-K24 VanDerWaalsContact O-N 3.08Å; F21-K24 PolarHBondContact O-N 3.47Å; K24-L26 PolarHBondContact O-N 3.15Å
25L93.7Very high95.8Very high138 Ų13881.1 Ų81.172%0.72342%0.415SS*.THydrogen-bonded Turntrans-74.6-13.9174.6-70.9170.7000112.4F21 D22 V23F21-L25 WeakPolarHBondContact O-CG 3.48Å; F21-L25 PolarHBondContact O-N 3.32Å; F21-L25 VanDerWaalsContact O-N 3.13Å; D22-L25 PolarHBondContact O-N 2.9Å; V23-L25 PolarHBondContact O-N 2.89Å
26L93.8Very high95.9Very high25 Ų2579.4 Ų79.413%0.13140%0.401CS..  trans-114.1145.2176.8-54.9179.6000109L17 V23 K24 Y36 V42 A50L17-L26 HydrophobicContact CD1-CD1 3.97Å; L17-L26 HydrophobicContact CD2-CD1 3.84Å; V23-L26 CarbonylContact O-C 3.58Å; V23-L26 PolarHBondContact O-N 3.17Å; K24-L26 PolarHBondContact O-N 3.15Å; L26-Y36 HydrophobicContact CB-CD2 3.39Å; L26-Y36 HydrophobicContact CB-CE2 3.67Å; L26-Y36 HydrophobicContact CB-CG 4.12Å; L26-Y36 HydrophobicContact CD1-CD1 4.25Å; L26-Y36 HydrophobicContact CD1-CD2 4.01Å; L26-Y36 HydrophobicContact CD1-CE1 4.35Å; L26-Y36 HydrophobicContact CD1-CE2 4.09Å; L26-Y36 HydrophobicContact CD1-CG 4.07Å; L26-Y36 HydrophobicContact CG-CD2 4.35Å; L26-Y36 HydrophobicContact CG-CE2 4.44Å; L26-V42 HydrophobicContact CD1-CG1 4.12Å; L26-V42 HydrophobicContact CD1-CG2 4.47Å; L26-A50 HydrophobicContact CD1-CB 4.39Å; L26-A50 HydrophobicContact CD2-CB 3.76Å
27D91.3Very high95.9Very high128 Ų12879.7 Ų79.768%0.68441%0.406SS*.  trans-89.4-77.7179-175.731.4000110.8
28Q96.1Very high95.9Very high62 Ų6284.2 Ų84.229%0.2943%0.429SS..BIsolated β-bridgetrans-146.8156.5174.558.9177.953.100109.7V30 E34Q28-V30 PolarHBondContact O-N 3.48Å; Q28-E34 CarbonylContact C-O 3.56Å; Q28-E34 WeakPolarHBondContact CA-O 3.4Å; Q28-E34 WeakPolarHBondContact CB-O 3.46Å
29C98Very high96Very high0 Ų080.1 Ų80.10%042%0.419CS..  trans-73.8121.4169.8-178.30000108.8I31 C32 M33 E34 Y36 H52C29-I31 PolarHBondContact O-N 2.93Å; C29-C32 VanDerWaalsContact CB-SG 3.58Å; C29-M33 WeakPolarHBondContact O-CA 3.36Å; C29-M33 PolarHBondContact O-N 2.82Å; C29-E34 PolarHBondContact N-O 2.93Å; C29-Y36 WeakPolarHBondContact CA-OH 3.46Å; C29-Y36 HydrophobicContact CB-CE1 4.13Å; C29-Y36 HydrophobicContact CB-CE2 4.35Å; C29-Y36 WeakPolarHBondContact CB-OH 3.42Å; C29-H52 WeakPolarHBondContact CB-ND1 3.45Å
30V96.6Very high96.1Very high60 Ų6079.2 Ų79.236%0.36441%0.414SS..THydrogen-bonded Turntrans-73.3-8.3-178.4-59.60000113.8Q28 F51 P67 I68Q28-V30 PolarHBondContact O-N 3.48Å; V30-F51 HydrophobicContact CG2-CD1 4.07Å; V30-F51 HydrophobicContact CG2-CE1 3.48Å; V30-F51 VanDerWaalsContact CG2-CE1 3.48Å; V30-P67 HydrophobicContact CG2-CB 4.19Å; V30-I68 HydrophobicContact CG1-CD1 4.12Å; V30-I68 HydrophobicContact CG1-CG1 4.27Å; V30-I68 HydrophobicContact CG2-CD1 3.98Å; V30-I68 HydrophobicContact CG2-CG1 3.68Å
31I96.6Very high96.2Very high53 Ų5380.7 Ų80.727%0.27242%0.415SS..THydrogen-bonded Turntrans-83.2-55.7178.8-60.3171.6000109.7C29 F51 C55 F56 W59 P67C29-I31 PolarHBondContact O-N 2.93Å; I31-F51 HydrophobicContact CD1-CB 4.14Å; I31-F51 HydrophobicContact CD1-CD1 3.6Å; I31-F51 HydrophobicContact CD1-CE1 4.34Å; I31-F51 HydrophobicContact CD1-CG 4.02Å; I31-F51 HydrophobicContact CG1-CD1 3.86Å; I31-F51 HydrophobicContact CG1-CE1 4.37Å; I31-C55 HydrophobicContact CB-CB 3.91Å; I31-C55 HydrophobicContact CD1-CB 4Å; I31-C55 WeakPolarHBondContact CD1-O 3.36Å; I31-C55 HydrophobicContact CG2-CB 3.85Å; I31-F56 HydrophobicContact CD1-CB 4.46Å; I31-W59 HydrophobicContact CD1-CB 4.02Å; I31-W59 HydrophobicContact CD1-CG 4.43Å; I31-P67 HydrophobicContact CD1-CG 4.13Å; I31-P67 HydrophobicContact CG1-CG 4.17Å
32C97.5Very high96.3Very high46 Ų4673.4 Ų73.431%0.31138%0.384SS..THydrogen-bonded Turntrans-89.3-12.6177.663.90000113.9C29 E34C29-C32 VanDerWaalsContact CB-SG 3.58Å; C32-E34 HydrophobicContact CB-CG 4.31Å; C32-E34 PolarHBondContact O-N 3.03Å
33M97Very high96.3Very high121 Ų12171.4 Ų71.460%0.59637%0.373SS*.  trans63.121.4-175.1-56-67.5-7600114.1C29C29-M33 WeakPolarHBondContact O-CA 3.36Å; C29-M33 PolarHBondContact O-N 2.82Å
34E98Very high96.2Very high131 Ų13174.1 Ų74.161%0.61238%0.38SS*.PPolyproline II helixtrans-101.7151.4177.6-57.6-168.4159.200112.3Q28 C29 C32Q28-E34 CarbonylContact C-O 3.56Å; Q28-E34 WeakPolarHBondContact CA-O 3.4Å; Q28-E34 WeakPolarHBondContact CB-O 3.46Å; C29-E34 PolarHBondContact N-O 2.93Å; C32-E34 HydrophobicContact CB-CG 4.31Å; C32-E34 PolarHBondContact O-N 3.03Å
35K97Very high96.2Very high156 Ų15666.3 Ų66.368%0.67835%0.346SS*.BIsolated β-bridgetrans-73.6147.8174.4-68.5-172.7177.9-175.60110.7
36Y97.8Very high96.1Very high11 Ų1163.1 Ų63.14%0.04333%0.334CS..PPolyproline II helixtrans-71148173.1-65-78.9000112.1L17 V23 L26 C29 D40 V42 A50 F51 H52L17-Y36 HydrophobicContact CD1-CD1 4.05Å; L17-Y36 HydrophobicContact CD1-CG 4.07Å; V23-Y36 WeakPolarHBondContact CG1-O 3.43Å; L26-Y36 HydrophobicContact CB-CD2 3.39Å; L26-Y36 HydrophobicContact CB-CE2 3.67Å; L26-Y36 HydrophobicContact CB-CG 4.12Å; L26-Y36 HydrophobicContact CD1-CD1 4.25Å; L26-Y36 HydrophobicContact CD1-CD2 4.01Å; L26-Y36 HydrophobicContact CD1-CE1 4.35Å; L26-Y36 HydrophobicContact CD1-CE2 4.09Å; L26-Y36 HydrophobicContact CD1-CG 4.07Å; L26-Y36 HydrophobicContact CG-CD2 4.35Å; L26-Y36 HydrophobicContact CG-CE2 4.44Å; C29-Y36 WeakPolarHBondContact CA-OH 3.46Å; C29-Y36 HydrophobicContact CB-CE1 4.13Å; C29-Y36 HydrophobicContact CB-CE2 4.35Å; C29-Y36 WeakPolarHBondContact CB-OH 3.42Å; Y36-D40 WeakPolarHBondContact CA-OD2 3.39Å; Y36-V42 HydrophobicContact CD1-CG1 3.74Å; Y36-V42 HydrophobicContact CE1-CG1 3.61Å; Y36-A50 PolarHBondContact OH-O 2.9Å; Y36-F51 WeakPolarHBondContact OH-CA 3.42Å; Y36-F51 PolarHBondContact OH-N 2.88Å; Y36-H52 AromaticContact CD1-CD2 3.7Å; Y36-H52 AromaticContact CD1-CE1 3.83Å; Y36-H52 AromaticContact CD1-NE2 3.37Å; Y36-H52 WeakPolarHBondContact CD1-NE2 3.37Å; Y36-H52 AromaticContact CE1-CD2 3.68Å; Y36-H52 AromaticContact CE1-CE1 3.86Å; Y36-H52 AromaticContact CE1-CG 3.84Å; Y36-H52 AromaticContact CE1-ND1 3.95Å; Y36-H52 AromaticContact CE1-NE2 3.69Å
37C97.5Very high96.1Very high72 Ų7263.4 Ų63.449%0.48634%0.338SS..  trans-122.3159.4175.7-69.40000111.3G39 D40C37-G39 PolarHBondContact O-N 3.21Å; C37-D40 PolarHBondContact N-OD2 3.5Å; C37-D40 WeakPolarHBondContact O-CB 3.21Å; C37-D40 PolarHBondContact O-N 2.95Å; C37-D40 VanDerWaalsContact O-N 3.16Å
38I97.6Very high96.2Very high98 Ų9866 Ų6650%0.50334%0.343SS..THydrogen-bonded Turntrans-62.9131.2169-63.7174.6000107.9V20 V23V20-I38 HydrophobicContact CG1-CD1 3.86Å; V23-I38 HydrophobicContact CG2-CG1 3.83Å
39G97.6Very high96.2Very high46 Ų4665.7 Ų65.747%0.47434%0.341SS..THydrogen-bonded Turntrans97.8-10.4-175.300000114.1L17 C37L17-G39 PolarHBondContact O-N 3.25Å; C37-G39 PolarHBondContact O-N 3.21Å
40D98Very high96.1Very high40 Ų4066.2 Ų66.221%0.21435%0.346CS..  trans-67.4135175.8-73.1-6.5000111.2V16 L17 Y36 C37 H52V16-D40 WeakPolarHBondContact CA-O 3.16Å; L17-D40 HydrophobicContact CD1-CB 4.2Å; L17-D40 PolarHBondContact N-O 3.16Å; Y36-D40 WeakPolarHBondContact CA-OD2 3.39Å; C37-D40 PolarHBondContact N-OD2 3.5Å; C37-D40 WeakPolarHBondContact O-CB 3.21Å; C37-D40 PolarHBondContact O-N 2.95Å; C37-D40 VanDerWaalsContact O-N 3.16Å; D40-H52 IonicContact OD2-CD2 3.5Å; D40-H52 PolarHBondContact OD2-CD2 2.95Å; D40-H52 IonicContact OD2-CE1 3.91Å; D40-H52 IonicContact OD2-NE2 2.77Å; D40-H52 PolarHBondContact OD2-NE2 2.99Å
41E97.4Very high96.1Very high111 Ų11163.4 Ų63.452%0.51933%0.329SS..EExtended strand (participates in β ladder)trans-81.1126.3166.9-74.2168.5178.500109.3V16 H52 E53V16-E41 HydrophobicContact CG2-CG 4Å; E41-H52 WeakPolarHBondContact O-CA 3.27Å; E41-E53 HydrophobicContact CB-CB 3.98Å; E41-E53 PolarHBondContact O-N 2.92Å
42V96.9Very high96.2Very high0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-124.8139.9179.6-56.40000111T14 S15 L17 L26 Y36 F51T14-V42 CarbonylContact C-O 3.57Å; T14-V42 WeakPolarHBondContact CA-O 3.11Å; S15-V42 PolarHBondContact N-O 3.46Å; S15-V42 WeakPolarHBondContact O-CG2 3.34Å; S15-V42 PolarHBondContact O-N 3.41Å; S15-V42 VanDerWaalsContact OG-CG2 3.31Å; S15-V42 WeakPolarHBondContact OG-CG2 3.43Å; L17-V42 HydrophobicContact CD1-CG1 3.99Å; L17-V42 HydrophobicContact CD2-CG1 4.14Å; L17-V42 HydrophobicContact CD2-CG2 3.83Å; L17-V42 HydrophobicContact CG-CG1 3.98Å; L17-V42 HydrophobicContact CG-CG2 4.42Å; L26-V42 HydrophobicContact CD1-CG1 4.12Å; L26-V42 HydrophobicContact CD1-CG2 4.47Å; Y36-V42 HydrophobicContact CD1-CG1 3.74Å; Y36-V42 HydrophobicContact CE1-CG1 3.61Å; V42-F51 CarbonylContact C-O 3.6Å; V42-F51 WeakPolarHBondContact CA-O 3.21Å; V42-F51 WeakPolarHBondContact CB-O 3.12Å
43I95.1Very high96.1Very high1 Ų161.2 Ų61.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-104.6137.4171.7-170153.5000109.2L9 L12 T14 A50 F51 F56L9-I43 HydrophobicContact CD2-CD1 3.87Å; L12-I43 HydrophobicContact CB-CD1 3.64Å; L12-I43 HydrophobicContact CB-CG1 3.84Å; L12-I43 HydrophobicContact CD1-CD1 3.75Å; L12-I43 HydrophobicContact CD1-CG1 4.27Å; L12-I43 HydrophobicContact CG-CD1 4.36Å; T14-I43 HydrophobicContact CG2-CB 4.29Å; T14-I43 HydrophobicContact CG2-CD1 4.1Å; T14-I43 HydrophobicContact CG2-CG1 4.16Å; I43-A50 VanDerWaalsContact O-CA 3.27Å; I43-A50 WeakPolarHBondContact O-CA 3.46Å; I43-F51 HydrophobicContact CG2-CB 4.15Å; I43-F51 PolarHBondContact N-O 2.84Å; I43-F51 PolarHBondContact O-N 3.05Å; I43-F56 HydrophobicContact CD1-CD1 3.8Å; I43-F56 HydrophobicContact CD1-CE1 4.19Å; I43-F56 HydrophobicContact CG1-CD1 4.3Å; I43-F56 HydrophobicContact CG2-CB 3.43Å; I43-F56 VanDerWaalsContact CG2-CB 3.43Å; I43-F56 HydrophobicContact CG2-CD1 3.66Å; I43-F56 HydrophobicContact CG2-CD2 4.5Å; I43-F56 HydrophobicContact CG2-CG 3.59Å
44R94.2Very high96Very high87 Ų8760.7 Ų60.733%0.32831%0.309SS..EExtended strand (participates in β ladder)trans-114.5130.2176.5-67.3-178.8-173.5-99.40.5109.6P13 H49 A50P13-R44 WeakPolarHBondContact CD-O 3.27Å; P13-R44 PolarHBondContact O-N 3.24Å; R44-H49 WeakPolarHBondContact CA-O 3.48Å; R44-A50 HydrophobicContact CG-CB 4.01Å
45L93.2Very high95.9Very high6 Ų654.9 Ų54.93%0.03128%0.282CS..  trans-85.9164.2176.6-52.2-171.3000111L12 C47 F48 H49 F51 F56 C66 V73L12-L45 HydrophobicContact CD1-CD2 4Å; L12-L45 HydrophobicContact CD2-CD2 4.35Å; L45-C47 PolarHBondContact O-N 2.92Å; L45-C47 VanDerWaalsContact O-N 3.11Å; L45-F48 WeakPolarHBondContact O-CA 3.31Å; L45-F48 PolarHBondContact O-N 3.46Å; L45-H49 PolarHBondContact N-O 3.05Å; L45-F51 HydrophobicContact CD1-CD2 4.37Å; L45-F51 HydrophobicContact CD1-CE2 3.71Å; L45-F51 HydrophobicContact CG-CD2 4.34Å; L45-F51 HydrophobicContact CG-CE2 4.01Å; L45-F56 HydrophobicContact CD1-CE2 3.7Å; L45-F56 HydrophobicContact CD1-CZ 3.92Å; L45-F56 HydrophobicContact CD2-CD1 4.38Å; L45-F56 HydrophobicContact CD2-CD2 4.44Å; L45-F56 HydrophobicContact CD2-CE1 3.64Å; L45-F56 HydrophobicContact CD2-CE2 3.76Å; L45-F56 HydrophobicContact CD2-CZ 3.3Å; L45-F56 HydrophobicContact CG-CE2 4.25Å; L45-F56 HydrophobicContact CG-CZ 4.21Å; L45-C66 HydrophobicContact CD1-CB 3.73Å; L45-V73 HydrophobicContact CD1-CG2 4.32Å; L45-V73 HydrophobicContact CD2-CG1 4.21Å
46P90.8Very high95.7Very high72 Ų7247.4 Ų47.447%0.46825%0.25SC..THydrogen-bonded Turntrans-55.8-27.4174.1-27.236.2000113.8F48P46-F48 PolarHBondContact O-N 3.06Å
47C94.5Very high95.4Very high31 Ų3149 Ų4921%0.20926%0.259CS..THydrogen-bonded Turntrans-78.711.1173.5660000114.5L45 H49 W71L45-C47 PolarHBondContact O-N 2.92Å; L45-C47 VanDerWaalsContact O-N 3.11Å; C47-H49 PolarHBondContact O-N 3.44Å; C47-H49 VanDerWaalsContact O-N 3.13Å; C47-W71 HydrophobicContact CB-CB 4.02Å; C47-W71 HydrophobicContact CB-CG 4.31Å
48F93Very high95.1Very high181 Ų18150.7 Ų50.779%0.79426%0.263SS*.SBendtrans66.4-0.4178.3-56.2-78.5000117.2L45 P46L45-F48 WeakPolarHBondContact O-CA 3.31Å; L45-F48 PolarHBondContact O-N 3.46Å; P46-F48 PolarHBondContact O-N 3.06Å
49H96Very high94.9Very high56 Ų5649.6 Ų49.626%0.25925%0.253SS..  trans-71.2142171.3-68.5114.2000111.5R44 L45 C47 F51 I68 C69R44-H49 WeakPolarHBondContact CA-O 3.48Å; L45-H49 PolarHBondContact N-O 3.05Å; C47-H49 PolarHBondContact O-N 3.44Å; C47-H49 VanDerWaalsContact O-N 3.13Å; H49-F51 HydrophobicContact CB-CE2 3.87Å; H49-F51 HydrophobicContact CB-CZ 3.97Å; H49-I68 HydrophobicContact CB-CD1 4.02Å; H49-I68 VanDerWaalsContact CD2-CD1 3.43Å; H49-I68 WeakPolarHBondContact CD2-CD1 3.49Å; H49-I68 WeakPolarHBondContact NE2-CG2 3.18Å; H49-C69 PolarHBondContact ND1-SG 3.4Å
50A96.2Very high94.5Very high12 Ų1247.5 Ų47.510%0.09923%0.23CC..EExtended strand (participates in β ladder)trans-118.9145.6-177.900000111.4L26 Y36 I43 R44L26-A50 HydrophobicContact CD1-CB 4.39Å; L26-A50 HydrophobicContact CD2-CB 3.76Å; Y36-A50 PolarHBondContact OH-O 2.9Å; I43-A50 VanDerWaalsContact O-CA 3.27Å; I43-A50 WeakPolarHBondContact O-CA 3.46Å; R44-A50 HydrophobicContact CG-CB 4.01Å
51F97.2Very high94Very high0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-138157.2179-53.9-85.3000108.5V30 I31 Y36 V42 I43 L45 H49 E53 F56 P67 I68V30-F51 HydrophobicContact CG2-CD1 4.07Å; V30-F51 HydrophobicContact CG2-CE1 3.48Å; V30-F51 VanDerWaalsContact CG2-CE1 3.48Å; I31-F51 HydrophobicContact CD1-CB 4.14Å; I31-F51 HydrophobicContact CD1-CD1 3.6Å; I31-F51 HydrophobicContact CD1-CE1 4.34Å; I31-F51 HydrophobicContact CD1-CG 4.02Å; I31-F51 HydrophobicContact CG1-CD1 3.86Å; I31-F51 HydrophobicContact CG1-CE1 4.37Å; Y36-F51 WeakPolarHBondContact OH-CA 3.42Å; Y36-F51 PolarHBondContact OH-N 2.88Å; V42-F51 CarbonylContact C-O 3.6Å; V42-F51 WeakPolarHBondContact CA-O 3.21Å; V42-F51 WeakPolarHBondContact CB-O 3.12Å; I43-F51 HydrophobicContact CG2-CB 4.15Å; I43-F51 PolarHBondContact N-O 2.84Å; I43-F51 PolarHBondContact O-N 3.05Å; L45-F51 HydrophobicContact CD1-CD2 4.37Å; L45-F51 HydrophobicContact CD1-CE2 3.71Å; L45-F51 HydrophobicContact CG-CD2 4.34Å; L45-F51 HydrophobicContact CG-CE2 4.01Å; H49-F51 HydrophobicContact CB-CE2 3.87Å; H49-F51 HydrophobicContact CB-CZ 3.97Å; F51-E53 PolarHBondContact O-N 3.13Å; F51-F56 HydrophobicContact CB-CB 3.9Å; F51-F56 HydrophobicContact CB-CD2 4.4Å; F51-F56 HydrophobicContact CB-CG 4.48Å; F51-F56 AromaticContact CD2-CD2 3.8Å; F51-F56 HydrophobicContact CD2-CD2 3.8Å; F51-F56 HydrophobicContact CD2-CE2 4.36Å; F51-F56 HydrophobicContact CD2-CG 4.46Å; F51-F56 HydrophobicContact CE2-CD2 4.38Å; F51-F56 HydrophobicContact CG-CD2 4.12Å; F51-P67 HydrophobicContact CD1-CG 4.2Å; F51-P67 HydrophobicContact CE1-CB 3.86Å; F51-P67 HydrophobicContact CE1-CG 3.51Å; F51-P67 HydrophobicContact CE2-CG 4.48Å; F51-P67 HydrophobicContact CZ-CB 4.17Å; F51-P67 VanDerWaalsContact CZ-CD 3.45Å; F51-P67 HydrophobicContact CZ-CG 3.71Å; F51-I68 HydrophobicContact CE1-CD1 4.07Å; F51-I68 HydrophobicContact CE1-CG1 4.13Å; F51-I68 HydrophobicContact CZ-CD1 3.97Å; F51-I68 HydrophobicContact CZ-CG1 4.03Å
52H97.8Very high93.5Very high7 Ų752.1 Ų52.13%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-56.8137.4161.7-69.5116000109C29 Y36 D40 E41 H54 C55 F56C29-H52 WeakPolarHBondContact CB-ND1 3.45Å; Y36-H52 AromaticContact CD1-CD2 3.7Å; Y36-H52 AromaticContact CD1-CE1 3.83Å; Y36-H52 AromaticContact CD1-NE2 3.37Å; Y36-H52 WeakPolarHBondContact CD1-NE2 3.37Å; Y36-H52 AromaticContact CE1-CD2 3.68Å; Y36-H52 AromaticContact CE1-CE1 3.86Å; Y36-H52 AromaticContact CE1-CG 3.84Å; Y36-H52 AromaticContact CE1-ND1 3.95Å; Y36-H52 AromaticContact CE1-NE2 3.69Å; D40-H52 IonicContact OD2-CD2 3.5Å; D40-H52 PolarHBondContact OD2-CD2 2.95Å; D40-H52 IonicContact OD2-CE1 3.91Å; D40-H52 IonicContact OD2-NE2 2.77Å; D40-H52 PolarHBondContact OD2-NE2 2.99Å; E41-H52 WeakPolarHBondContact O-CA 3.27Å; H52-H54 VanDerWaalsContact CB-CE1 3.4Å; H52-H54 WeakPolarHBondContact CB-CE1 3.37Å; H52-H54 AromaticContact CG-CE1 3.74Å; H52-H54 PolarHBondContact O-N 3.48Å; H52-C55 HydrophobicContact CB-CB 3.92Å; H52-C55 PolarHBondContact O-N 3.25Å; H52-F56 PolarHBondContact O-N 3.11Å
53E95.2Very high93.2Very high46 Ų4653.7 Ų53.722%0.21526%0.263CS..Hα-helixtrans-54-57.4-177.6-179.1169.7179.500110.4E41 F51 C55 F56 I57E41-E53 HydrophobicContact CB-CB 3.98Å; E41-E53 PolarHBondContact O-N 2.92Å; F51-E53 PolarHBondContact O-N 3.13Å; E53-C55 VanDerWaalsContact C-N 3.32Å; E53-C55 PolarHBondContact O-N 2.85Å; E53-F56 PolarHBondContact O-N 3.34Å; E53-I57 HydrophobicContact CG-CD1 4.03Å; E53-I57 HydrophobicContact CG-CG1 4.38Å; E53-I57 VanDerWaalsContact O-CG1 3.31Å; E53-I57 WeakPolarHBondContact O-CG1 3.42Å; E53-I57 PolarHBondContact O-N 3.23Å
54H94.2Very high92.9Very high111 Ų11157.4 Ų57.451%0.51428%0.283SS..Hα-helixtrans-54.3-42.817865.4-86.9000113.8H52 F56 I57 D58H52-H54 VanDerWaalsContact CB-CE1 3.4Å; H52-H54 WeakPolarHBondContact CB-CE1 3.37Å; H52-H54 AromaticContact CG-CE1 3.74Å; H52-H54 PolarHBondContact O-N 3.48Å; H54-F56 VanDerWaalsContact C-N 3.29Å; H54-F56 PolarHBondContact O-N 2.8Å; H54-I57 PolarHBondContact O-N 3.4Å; H54-D58 PolarHBondContact O-N 3.3Å; H54-D58 VanDerWaalsContact O-N 3.15Å
55C96.1Very high92.8Very high8 Ų857 Ų575%0.05428%0.284CS..Hα-helixtrans-62.2-39178-75.10000111.8I31 H52 E53 W59I31-C55 HydrophobicContact CB-CB 3.91Å; I31-C55 HydrophobicContact CD1-CB 4Å; I31-C55 WeakPolarHBondContact CD1-O 3.36Å; I31-C55 HydrophobicContact CG2-CB 3.85Å; H52-C55 HydrophobicContact CB-CB 3.92Å; H52-C55 PolarHBondContact O-N 3.25Å; E53-C55 VanDerWaalsContact C-N 3.32Å; E53-C55 PolarHBondContact O-N 2.85Å; C55-W59 PolarHBondContact O-N 2.98Å
56F94.1Very high92.8Very high0 Ų056.7 Ų56.70%028%0.283CS..Hα-helixtrans-76.3-33.1179.6-173.1-103.1000112.7L9 L12 I31 I43 L45 F51 H52 E53 H54 D58 W59 I60 V73L9-F56 HydrophobicContact CD2-CD1 3.91Å; L9-F56 HydrophobicContact CD2-CE1 4.11Å; L12-F56 HydrophobicContact CD1-CE1 3.71Å; L12-F56 HydrophobicContact CD1-CZ 4.44Å; I31-F56 HydrophobicContact CD1-CB 4.46Å; I43-F56 HydrophobicContact CD1-CD1 3.8Å; I43-F56 HydrophobicContact CD1-CE1 4.19Å; I43-F56 HydrophobicContact CG1-CD1 4.3Å; I43-F56 HydrophobicContact CG2-CB 3.43Å; I43-F56 VanDerWaalsContact CG2-CB 3.43Å; I43-F56 HydrophobicContact CG2-CD1 3.66Å; I43-F56 HydrophobicContact CG2-CD2 4.5Å; I43-F56 HydrophobicContact CG2-CG 3.59Å; L45-F56 HydrophobicContact CD1-CE2 3.7Å; L45-F56 HydrophobicContact CD1-CZ 3.92Å; L45-F56 HydrophobicContact CD2-CD1 4.38Å; L45-F56 HydrophobicContact CD2-CD2 4.44Å; L45-F56 HydrophobicContact CD2-CE1 3.64Å; L45-F56 HydrophobicContact CD2-CE2 3.76Å; L45-F56 HydrophobicContact CD2-CZ 3.3Å; L45-F56 HydrophobicContact CG-CE2 4.25Å; L45-F56 HydrophobicContact CG-CZ 4.21Å; F51-F56 HydrophobicContact CB-CB 3.9Å; F51-F56 HydrophobicContact CB-CD2 4.4Å; F51-F56 HydrophobicContact CB-CG 4.48Å; F51-F56 AromaticContact CD2-CD2 3.8Å; F51-F56 HydrophobicContact CD2-CD2 3.8Å; F51-F56 HydrophobicContact CD2-CE2 4.36Å; F51-F56 HydrophobicContact CD2-CG 4.46Å; F51-F56 HydrophobicContact CE2-CD2 4.38Å; F51-F56 HydrophobicContact CG-CD2 4.12Å; H52-F56 PolarHBondContact O-N 3.11Å; E53-F56 PolarHBondContact O-N 3.34Å; H54-F56 VanDerWaalsContact C-N 3.29Å; H54-F56 PolarHBondContact O-N 2.8Å; F56-D58 VanDerWaalsContact C-N 3.29Å; F56-D58 PolarHBondContact O-N 2.76Å; F56-W59 WeakPolarHBondContact O-CB 3.43Å; F56-W59 PolarHBondContact O-N 2.81Å; F56-W59 VanDerWaalsContact O-N 3.17Å; F56-I60 HydrophobicContact CE1-CB 4.28Å; F56-I60 HydrophobicContact CE1-CD1 3.81Å; F56-I60 HydrophobicContact CZ-CB 4.44Å; F56-I60 HydrophobicContact CZ-CD1 4.06Å; F56-I60 PolarHBondContact O-N 3.1Å; F56-V73 HydrophobicContact CE1-CG1 4.44Å; F56-V73 HydrophobicContact CE2-CG2 4.39Å; F56-V73 HydrophobicContact CZ-CG1 4.05Å; F56-V73 HydrophobicContact CZ-CG2 3.72Å
57I91.3Very high93Very high44 Ų4454.4 Ų54.423%0.22627%0.268CS..Hα-helixtrans-56.7-47171.3-64.6-175.9000109.8L6 L9 E53 H54 W59 I60 L61L6-I57 HydrophobicContact CD2-CG2 4.23Å; L9-I57 HydrophobicContact CD1-CB 4.19Å; L9-I57 HydrophobicContact CD1-CD1 3.93Å; L9-I57 HydrophobicContact CD1-CG1 3.52Å; L9-I57 HydrophobicContact CD1-CG2 4.03Å; L9-I57 HydrophobicContact CD2-CG1 3.98Å; L9-I57 HydrophobicContact CG-CG1 4.37Å; E53-I57 HydrophobicContact CG-CD1 4.03Å; E53-I57 HydrophobicContact CG-CG1 4.38Å; E53-I57 VanDerWaalsContact O-CG1 3.31Å; E53-I57 WeakPolarHBondContact O-CG1 3.42Å; E53-I57 PolarHBondContact O-N 3.23Å; H54-I57 PolarHBondContact O-N 3.4Å; I57-W59 VanDerWaalsContact C-N 3.3Å; I57-W59 PolarHBondContact O-N 3.37Å; I57-I60 WeakPolarHBondContact O-CG2 3.41Å; I57-I60 PolarHBondContact O-N 2.77Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å
58D91.5Very high93.1Very high108 Ų10856.8 Ų56.858%0.57828%0.278SS*.Hα-helixtrans-63.7-38.1177.4-68.2-21.3000111.8H54 F56H54-D58 PolarHBondContact O-N 3.3Å; H54-D58 VanDerWaalsContact O-N 3.15Å; F56-D58 VanDerWaalsContact C-N 3.29Å; F56-D58 PolarHBondContact O-N 2.76Å
59W92.5Very high93.2Very high75 Ų7550.4 Ų50.428%0.28426%0.255SS..Hα-helixtrans-66.8-43.9178.8-178.1-91.6000113.4I31 C55 F56 I57 L61 E62 C63 E65 P67I31-W59 HydrophobicContact CD1-CB 4.02Å; I31-W59 HydrophobicContact CD1-CG 4.43Å; C55-W59 PolarHBondContact O-N 2.98Å; F56-W59 WeakPolarHBondContact O-CB 3.43Å; F56-W59 PolarHBondContact O-N 2.81Å; F56-W59 VanDerWaalsContact O-N 3.17Å; I57-W59 VanDerWaalsContact C-N 3.3Å; I57-W59 PolarHBondContact O-N 3.37Å; W59-L61 PolarHBondContact O-N 3.31Å; W59-E62 PolarHBondContact O-N 3.37Å; W59-C63 HydrophobicContact CZ2-CB 4.17Å; W59-C63 PolarHBondContact O-N 3.2Å; W59-E65 PolarHBondContact NE1-O 2.94Å; W59-P67 HydrophobicContact CD2-CG 3.86Å; W59-P67 HydrophobicContact CG-CG 4.04Å; W59-P67 HydrophobicContact CH2-CB 4.43Å; W59-P67 HydrophobicContact CZ2-CB 4.05Å; W59-P67 HydrophobicContact CZ2-CG 4.07Å
60I89.1Confident93.1Very high1 Ų154 Ų541%0.00527%0.266CS..Hα-helixtrans-70.7-16.9-173.9-158.9167000113S5 L8 L9 F56 I57 E62 L64 V73 F74S5-I60 PolarHBondContact OG-O 2.85Å; L8-I60 HydrophobicContact CB-CD1 4.46Å; L9-I60 HydrophobicContact CD2-CD1 4.45Å; L9-I60 HydrophobicContact CD2-CG2 4.04Å; L9-I60 HydrophobicContact CG-CG2 4.37Å; F56-I60 HydrophobicContact CE1-CB 4.28Å; F56-I60 HydrophobicContact CE1-CD1 3.81Å; F56-I60 HydrophobicContact CZ-CB 4.44Å; F56-I60 HydrophobicContact CZ-CD1 4.06Å; F56-I60 PolarHBondContact O-N 3.1Å; I57-I60 WeakPolarHBondContact O-CG2 3.41Å; I57-I60 PolarHBondContact O-N 2.77Å; I60-E62 PolarHBondContact O-N 2.89Å; I60-L64 HydrophobicContact CD1-CD2 3.99Å; I60-L64 HydrophobicContact CG1-CD2 3.33Å; I60-V73 HydrophobicContact CD1-CG1 4.04Å; I60-V73 HydrophobicContact CD1-CG2 4.49Å; I60-F74 HydrophobicContact CD1-CE2 4.31Å
61L87Confident93Very high71 Ų7160.2 Ų60.237%0.37229%0.287SS..THydrogen-bonded Turntrans-66.2-28.3171.3-65.9173.5000111.9I57 W59I57-L61 WeakPolarHBondContact O-CG 3.33Å; W59-L61 PolarHBondContact O-N 3.31Å
62E87.7Confident92.7Very high178 Ų17863.3 Ų63.383%0.83231%0.307SS*.THydrogen-bonded Turntrans-106.9-32.6-178.1-62.3-63144.600113.1W59 I60W59-E62 PolarHBondContact O-N 3.37Å; I60-E62 PolarHBondContact O-N 2.89Å
63C89.6Confident92.2Very high33 Ų3363 Ų6322%0.22331%0.306CS..  trans-145.8118.5-172-171.60000112.9W59 E65W59-C63 HydrophobicContact CZ2-CB 4.17Å; W59-C63 PolarHBondContact O-N 3.2Å; C63-E65 PolarHBondContact O-N 3.08Å; C63-E65 VanDerWaalsContact O-N 3.15Å
64L88.7Confident91.5Very high79 Ų7962.5 Ų62.541%0.41430%0.303SS..SBendtrans-85.735.8178.4-60.9-177.7000113.6L8 I60 V73L8-L64 HydrophobicContact CD1-CD1 4.48Å; L8-L64 HydrophobicContact CD1-CD2 4.19Å; I60-L64 HydrophobicContact CD1-CD2 3.99Å; I60-L64 HydrophobicContact CG1-CD2 3.33Å; L64-V73 WeakPolarHBondContact O-CG2 3.36Å; L64-V73 PolarHBondContact O-N 3.28Å
65E92.2Very high90Very high78 Ų7863.4 Ų63.436%0.36431%0.307SS..BIsolated β-bridgetrans-133.2152.3179.4-64175.3177.300111W59 C63 P67 W71W59-E65 PolarHBondContact NE1-O 2.94Å; C63-E65 PolarHBondContact O-N 3.08Å; C63-E65 VanDerWaalsContact O-N 3.15Å; E65-P67 WeakPolarHBondContact O-CD 3.35Å; E65-W71 WeakPolarHBondContact CA-O 3.29Å
66C94.6Very high88.1Confident0 Ų071.8 Ų71.80%034%0.344CS..  trans-60.2125.4173.7178.20000111.3L45 I68 C69 R70 W71L45-C66 HydrophobicContact CD1-CB 3.73Å; C66-I68 PolarHBondContact O-N 3.25Å; C66-I68 PolarHBondContact SG-N 3.05Å; C66-I68 VanDerWaalsContact SG-N 3.44Å; C66-C69 VanDerWaalsContact SG-SG 3.63Å; C66-R70 VanDerWaalsContact O-CA 3.27Å; C66-R70 WeakPolarHBondContact O-CA 3.15Å; C66-R70 PolarHBondContact O-N 3.24Å; C66-W71 PolarHBondContact N-O 2.77Å
67P94.9Very high85.7Confident24 Ų2484.1 Ų84.116%0.15640%0.401CS..THydrogen-bonded Turntrans-54.9-26.1176-23.826.5000114.7V30 I31 F51 W59 E65V30-P67 HydrophobicContact CG2-CB 4.19Å; I31-P67 HydrophobicContact CD1-CG 4.13Å; I31-P67 HydrophobicContact CG1-CG 4.17Å; F51-P67 HydrophobicContact CD1-CG 4.2Å; F51-P67 HydrophobicContact CE1-CB 3.86Å; F51-P67 HydrophobicContact CE1-CG 3.51Å; F51-P67 HydrophobicContact CE2-CG 4.48Å; F51-P67 HydrophobicContact CZ-CB 4.17Å; F51-P67 VanDerWaalsContact CZ-CD 3.45Å; F51-P67 HydrophobicContact CZ-CG 3.71Å; W59-P67 HydrophobicContact CD2-CG 3.86Å; W59-P67 HydrophobicContact CG-CG 4.04Å; W59-P67 HydrophobicContact CH2-CB 4.43Å; W59-P67 HydrophobicContact CZ2-CB 4.05Å; W59-P67 HydrophobicContact CZ2-CG 4.07Å; E65-P67 WeakPolarHBondContact O-CD 3.35Å
68I95.6Very high85.4Confident81 Ų8186.2 Ų86.242%0.41541%0.41SS..THydrogen-bonded Turntrans-90.9-54.5-174-60.7175.2000111.6V30 H49 F51 C66V30-I68 HydrophobicContact CG1-CD1 4.12Å; V30-I68 HydrophobicContact CG1-CG1 4.27Å; V30-I68 HydrophobicContact CG2-CD1 3.98Å; V30-I68 HydrophobicContact CG2-CG1 3.68Å; H49-I68 HydrophobicContact CB-CD1 4.02Å; H49-I68 VanDerWaalsContact CD2-CD1 3.43Å; H49-I68 WeakPolarHBondContact CD2-CD1 3.49Å; H49-I68 WeakPolarHBondContact NE2-CG2 3.18Å; F51-I68 HydrophobicContact CE1-CD1 4.07Å; F51-I68 HydrophobicContact CE1-CG1 4.13Å; F51-I68 HydrophobicContact CZ-CD1 3.97Å; F51-I68 HydrophobicContact CZ-CG1 4.03Å; C66-I68 PolarHBondContact O-N 3.25Å; C66-I68 PolarHBondContact SG-N 3.05Å; C66-I68 VanDerWaalsContact SG-N 3.44Å
69C96.3Very high85.1Confident46 Ų4685 Ų8531%0.31140%0.401SS..THydrogen-bonded Turntrans-112.6-0.6-171.664.20000114.6H49 C66 W71H49-C69 PolarHBondContact ND1-SG 3.4Å; C66-C69 VanDerWaalsContact SG-SG 3.63Å; C69-W71 PolarHBondContact O-N 3.49Å; C69-W71 VanDerWaalsContact SG-CD1 3.53Å
70R94.3Very high84.6Confident133 Ų13385.6 Ų85.650%0.50241%0.408SS..  trans59.511.5-177.5-54.1-66.6174.1171.7-4.7115.1C66C66-R70 VanDerWaalsContact O-CA 3.27Å; C66-R70 WeakPolarHBondContact O-CA 3.15Å; C66-R70 PolarHBondContact O-N 3.24Å
71W93.6Very high84.4Confident141 Ų14190.5 Ų90.553%0.53443%0.431SS..  trans-61.8135.1169.5-86.671.8000109.6C47 E65 C66 C69 V73 E75C47-W71 HydrophobicContact CB-CB 4.02Å; C47-W71 HydrophobicContact CB-CG 4.31Å; E65-W71 WeakPolarHBondContact CA-O 3.29Å; C66-W71 PolarHBondContact N-O 2.77Å; C69-W71 PolarHBondContact O-N 3.49Å; C69-W71 VanDerWaalsContact SG-CD1 3.53Å; W71-V73 PolarHBondContact O-N 3.14Å; W71-E75 WeakPolarHBondContact CZ3-OE1 3.22Å
72P89.7Confident84.2Confident65 Ų6591.8 Ų91.842%0.42244%0.435SS..BIsolated β-bridgetrans-51.6140.7173.3-27.335.9000110.7F74P72-F74 VanDerWaalsContact CB-O 3.26Å; P72-F74 WeakPolarHBondContact CB-O 3.35Å; P72-F74 PolarHBondContact O-N 3.22Å
73V88.3Confident84Confident0 Ų086 Ų860%041%0.409CS..SBendtrans-63.7-26.2175.3179.40000110.7L12 L45 F56 I60 L64 W71L12-V73 HydrophobicContact CD1-CG1 3.62Å; L12-V73 HydrophobicContact CD2-CG1 4.02Å; L12-V73 HydrophobicContact CG-CG1 4.38Å; L45-V73 HydrophobicContact CD1-CG2 4.32Å; L45-V73 HydrophobicContact CD2-CG1 4.21Å; F56-V73 HydrophobicContact CE1-CG1 4.44Å; F56-V73 HydrophobicContact CE2-CG2 4.39Å; F56-V73 HydrophobicContact CZ-CG1 4.05Å; F56-V73 HydrophobicContact CZ-CG2 3.72Å; I60-V73 HydrophobicContact CD1-CG1 4.04Å; I60-V73 HydrophobicContact CD1-CG2 4.49Å; L64-V73 WeakPolarHBondContact O-CG2 3.36Å; L64-V73 PolarHBondContact O-N 3.28Å; W71-V73 PolarHBondContact O-N 3.14Å
74F79.4Confident83.6Confident36 Ų3689.8 Ų89.816%0.15842%0.422CS..  trans-126.2129.3177-56.7-75.9000110.3L8 V11 L12 I60 P72 F76L8-F74 HydrophobicContact CB-CE1 4.31Å; L8-F74 HydrophobicContact CB-CE2 3.51Å; L8-F74 HydrophobicContact CB-CZ 3.36Å; L8-F74 HydrophobicContact CD1-CD2 3.94Å; L8-F74 HydrophobicContact CD1-CE2 3.51Å; L8-F74 HydrophobicContact CD1-CZ 4.22Å; L8-F74 HydrophobicContact CD2-CD1 4.06Å; L8-F74 HydrophobicContact CD2-CD2 3.8Å; L8-F74 HydrophobicContact CD2-CE1 3.77Å; L8-F74 HydrophobicContact CD2-CE2 3.51Å; L8-F74 HydrophobicContact CD2-CG 4.1Å; L8-F74 HydrophobicContact CD2-CZ 3.51Å; L8-F74 HydrophobicContact CG-CD2 4.28Å; L8-F74 HydrophobicContact CG-CE2 3.64Å; L8-F74 HydrophobicContact CG-CZ 3.81Å; L8-F74 WeakPolarHBondContact O-CZ 3.35Å; V11-F74 HydrophobicContact CG2-CE1 3.55Å; V11-F74 HydrophobicContact CG2-CZ 4.24Å; L12-F74 HydrophobicContact CD1-CZ 4.21Å; L12-F74 HydrophobicContact CD2-CE1 4.26Å; L12-F74 HydrophobicContact CD2-CZ 4.38Å; L12-F74 HydrophobicContact CG-CE1 4.4Å; L12-F74 HydrophobicContact CG-CZ 4.24Å; I60-F74 HydrophobicContact CD1-CE2 4.31Å; P72-F74 VanDerWaalsContact CB-O 3.26Å; P72-F74 WeakPolarHBondContact CB-O 3.35Å; P72-F74 PolarHBondContact O-N 3.22Å; F74-F76 HydrophobicContact CB-CE2 4.26Å; F74-F76 HydrophobicContact CB-CZ 4.45Å
75E63Low83.2Confident130 Ų13090.6 Ų90.661%0.60742%0.422SS*.  trans-87.4110.6156.1-71-179.3-138.400106.7W71 E77W71-E75 WeakPolarHBondContact CZ3-OE1 3.22Å; E75-E77 PolarHBondContact O-N 3.13Å
76F56.8Low82.4Confident185 Ų18591.7 Ų91.781%0.81143%0.427SS*.  trans-77.4101.3166.1-64.3-83.6000107.1F74F74-F76 HydrophobicContact CB-CE2 4.26Å; F74-F76 HydrophobicContact CB-CZ 4.45Å
77E42.9Very low81.3Confident259 Ų259100 Ų100100%1.2147%0.466SS*.  trans-84.40156-70-168.4125.100110.6E75E75-E77 PolarHBondContact O-N 3.13Å

Retrieved 77 of 77 residues in 31.6 ms (Link to these results)

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