A0A077Z7W8_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M62.6Low85.2Confident227 Ų22793.3 Ų93.3100%1.11849%0.494SS*.  0126.30-155169.4-176.100107.1
2K70.3Confident85.8Confident133 Ų13393.7 Ų93.758%0.57850%0.497SS*.  trans-80.9137.2-179.3174.7174.9164.1166.10108.9F14K2-F14 WeakPolarHBondContact CE-O 3.45Å; K2-F14 HydrophobicContact CG-CB 4.4Å; K2-F14 PolarHBondContact NZ-O 2.83Å
3P78.1Confident86.1Confident10 Ų1091.7 Ų91.77%0.06549%0.493CS..  trans-64138.2171.9-20.932.7000111.5Q5 F14 F20 F27P3-Q5 PolarHBondContact O-N 3.07Å; P3-F14 HydrophobicContact CB-CD2 3.78Å; P3-F14 HydrophobicContact CB-CE2 3.94Å; P3-F14 HydrophobicContact CG-CD2 3.68Å; P3-F14 HydrophobicContact CG-CE2 3.92Å; P3-F14 HydrophobicContact CG-CG 4.05Å; P3-F14 HydrophobicContact CG-CZ 4.47Å; P3-F20 HydrophobicContact CG-CD1 4Å; P3-F20 HydrophobicContact CG-CD2 4.04Å; P3-F20 HydrophobicContact CG-CE1 3.99Å; P3-F20 HydrophobicContact CG-CE2 4.03Å; P3-F20 HydrophobicContact CG-CG 4.03Å; P3-F20 HydrophobicContact CG-CZ 4Å; P3-F27 HydrophobicContact CB-CB 4.2Å; P3-F27 HydrophobicContact CB-CD1 3.64Å; P3-F27 HydrophobicContact CB-CD2 4.15Å; P3-F27 HydrophobicContact CB-CE1 3.99Å; P3-F27 HydrophobicContact CB-CE2 4.47Å; P3-F27 HydrophobicContact CB-CG 3.73Å; P3-F27 HydrophobicContact CB-CZ 4.39Å; P3-F27 HydrophobicContact CG-CB 4.35Å; P3-F27 HydrophobicContact CG-CD1 3.6Å; P3-F27 HydrophobicContact CG-CE1 4.11Å; P3-F27 HydrophobicContact CG-CG 4.06Å
4D82.5Confident86.3Confident171 Ų17185.4 Ų85.491%0.91446%0.458SS*.SBendtrans-72.9-13.2175.1-65.3-32.4000112.8
5Q86.6Confident86Confident104 Ų10484.6 Ų84.649%0.48646%0.462SS..SBendtrans-105.5152.6-178.5-63.2-178.6-37.600111.6P3 F14 F27P3-Q5 PolarHBondContact O-N 3.07Å; Q5-F14 VanDerWaalsContact O-CD2 3.27Å; Q5-F14 WeakPolarHBondContact O-CD2 3.31Å; Q5-F14 WeakPolarHBondContact O-CE2 3.39Å; Q5-F27 HydrophobicContact CB-CD2 4.21Å
6N92.4Very high84.8Confident76 Ų7684.6 Ų84.641%0.40649%0.488SS..  trans-71.4159.7171.2-71.3-2.1000111.3H8 N11N6-H8 PolarHBondContact O-N 2.76Å; N6-N11 PolarHBondContact ND2-O 3.41Å
7C93.6Very high83.9Confident0 Ų087.5 Ų87.50%051%0.508CS..  trans-58.2120.1175.3170.20000110.6G9 C10 N11 N12 F14 F27 H29 C32C7-G9 PolarHBondContact O-N 3.19Å; C7-G9 VanDerWaalsContact O-N 3.16Å; C7-C10 PolarHBondContact O-N 2.92Å; C7-N11 WeakPolarHBondContact O-CA 3.5Å; C7-N11 PolarHBondContact O-N 3.43Å; C7-N12 WeakPolarHBondContact CB-O 3.31Å; C7-N12 PolarHBondContact N-O 2.95Å; C7-F14 HydrophobicContact CB-CE1 4.33Å; C7-F14 HydrophobicContact CB-CE2 4.3Å; C7-F14 HydrophobicContact CB-CZ 3.84Å; C7-F27 CarbonylContact C-O 3.55Å; C7-F27 WeakPolarHBondContact CA-O 3.06Å; C7-H29 PolarHBondContact SG-N 3.2Å; C7-H29 VanDerWaalsContact SG-N 3.39Å; C7-H29 PolarHBondContact SG-ND1 3.12Å; C7-C32 VanDerWaalsContact SG-CB 3.52Å; C7-C32 VanDerWaalsContact SG-SG 3.65Å
8H93Very high83.1Confident89 Ų8986.8 Ų86.841%0.41250%0.502SS..THydrogen-bonded Turntrans-59.6-32.7-176.8-173.779.8000113.3N6 F26 F27 F28N6-H8 PolarHBondContact O-N 2.76Å; H8-F26 HydrophobicContact CB-CB 3.92Å; H8-F26 HydrophobicContact CB-CD1 4.23Å; H8-F26 HydrophobicContact CB-CG 4.25Å; H8-F26 AromaticContact CE1-CD1 3.65Å; H8-F26 AromaticContact CE1-CE1 3.38Å; H8-F26 WeakPolarHBondContact CE1-CE1 3.49Å; H8-F26 AromaticContact CE1-CZ 3.64Å; H8-F26 AromaticContact CG-CD1 3.71Å; H8-F26 AromaticContact CG-CG 3.83Å; H8-F26 AromaticContact ND1-CD1 3.25Å; H8-F26 WeakPolarHBondContact ND1-CD1 3.34Å; H8-F26 AromaticContact ND1-CE1 3.42Å; H8-F26 WeakPolarHBondContact ND1-CE1 3.18Å; H8-F26 AromaticContact ND1-CG 3.83Å; H8-F27 PolarHBondContact N-O 2.89Å; H8-F28 HydrophobicContact CB-CD1 4.08Å; H8-F28 HydrophobicContact CB-CE1 3.6Å; H8-F28 HydrophobicContact CB-CE2 4.27Å; H8-F28 HydrophobicContact CB-CZ 3.69Å; H8-F28 AromaticContact CD2-CE1 3.66Å; H8-F28 AromaticContact CD2-CZ 3.53Å; H8-F28 AromaticContact CG-CZ 3.91Å
9G91.2Very high83.1Confident47 Ų4790.2 Ų90.249%0.48551%0.51SS..THydrogen-bonded Turntrans-78.1-29.6-179.400000116.8C7C7-G9 PolarHBondContact O-N 3.19Å; C7-G9 VanDerWaalsContact O-N 3.16Å
10C93.6Very high83.4Confident49 Ų4989.7 Ų89.733%0.33150%0.502SS..THydrogen-bonded Turntrans-128-3.2-176.368.80000114.4C7 N12 H29C7-C10 PolarHBondContact O-N 2.92Å; C10-N12 PolarHBondContact O-N 2.91Å; C10-N12 VanDerWaalsContact O-N 3.13Å; C10-H29 PolarHBondContact SG-ND1 3.01Å; C10-H29 VanDerWaalsContact SG-ND1 3.38Å
11N93.4Very high83.8Confident120 Ų12086.4 Ų86.464%0.64248%0.484SS*.  trans59.213.5-177.8-154.828000116.3N6 C7N6-N11 PolarHBondContact ND2-O 3.41Å; C7-N11 WeakPolarHBondContact O-CA 3.5Å; C7-N11 PolarHBondContact O-N 3.43Å
12N92.3Very high85.3Confident98 Ų9879 Ų7952%0.52445%0.451SS..PPolyproline II helixtrans-89.8149.5175.9-67.5-41.8000112.3C7 C10C7-N12 WeakPolarHBondContact CB-O 3.31Å; C7-N12 PolarHBondContact N-O 2.95Å; C10-N12 PolarHBondContact O-N 2.91Å; C10-N12 VanDerWaalsContact O-N 3.13Å
13P90.5Very high86.4Confident68 Ų6872.9 Ų72.944%0.44243%0.425SS..PPolyproline II helixtrans-73.1153.8179.930.2-35.7000112.8
14F88.6Confident87Confident3 Ų375.2 Ų75.21%0.01345%0.451CS..PPolyproline II helixtrans-76.7127.2172.9-62.3-83.4000111.2K2 P3 Q5 C7 F20 F27 H29K2-F14 WeakPolarHBondContact CE-O 3.45Å; K2-F14 HydrophobicContact CG-CB 4.4Å; K2-F14 PolarHBondContact NZ-O 2.83Å; P3-F14 HydrophobicContact CB-CD2 3.78Å; P3-F14 HydrophobicContact CB-CE2 3.94Å; P3-F14 HydrophobicContact CG-CD2 3.68Å; P3-F14 HydrophobicContact CG-CE2 3.92Å; P3-F14 HydrophobicContact CG-CG 4.05Å; P3-F14 HydrophobicContact CG-CZ 4.47Å; Q5-F14 VanDerWaalsContact O-CD2 3.27Å; Q5-F14 WeakPolarHBondContact O-CD2 3.31Å; Q5-F14 WeakPolarHBondContact O-CE2 3.39Å; C7-F14 HydrophobicContact CB-CE1 4.33Å; C7-F14 HydrophobicContact CB-CE2 4.3Å; C7-F14 HydrophobicContact CB-CZ 3.84Å; F14-F20 HydrophobicContact CD1-CB 3.84Å; F14-F20 HydrophobicContact CE1-CB 3.46Å; F14-F20 VanDerWaalsContact CE1-CB 3.46Å; F14-F20 HydrophobicContact CE1-CG 4.41Å; F14-F20 HydrophobicContact CZ-CB 4.2Å; F14-F27 HydrophobicContact CE2-CB 3.65Å; F14-F27 HydrophobicContact CZ-CB 3.6Å; F14-H29 AromaticContact CD1-CD2 3.74Å; F14-H29 AromaticContact CD1-NE2 3.79Å; F14-H29 AromaticContact CE1-CD2 3.7Å; F14-H29 AromaticContact CE1-NE2 3.99Å
15S81.5Confident87.3Confident74 Ų7473.9 Ų73.952%0.51743%0.433SS..PPolyproline II helixtrans-93.5154.6174-65.40000111.1T17 N18S15-T17 PolarHBondContact O-N 2.88Å; S15-N18 PolarHBondContact O-N 2.78Å
16G67.4Low87.7Confident85 Ų8569.9 Ų69.988%0.87641%0.414SS*.THydrogen-bonded Turntrans-58.44.1-16000000119.5
17T69.2Low87.7Confident134 Ų13468.7 Ų68.782%0.82241%0.405SS*.THydrogen-bonded Turntrans-136.42.2174.554.50000113.6S15 K19S15-T17 PolarHBondContact O-N 2.88Å; T17-K19 PolarHBondContact O-N 3.5Å
18N69Low87.7Confident74 Ų7469 Ų6940%0.39641%0.407SS..  trans-72.6121.7-177.1-78.11.1000110.4S15S15-N18 PolarHBondContact O-N 2.78Å
19K83.1Confident87.7Confident152 Ų15266.2 Ų66.266%0.66139%0.394SS*.  trans-61.5138.4163-65.4-175.6-178.7179.40108.9T17 E30T17-K19 PolarHBondContact O-N 3.5Å; K19-E30 VanDerWaalsContact CB-CD 3.42Å; K19-E30 HydrophobicContact CB-CG 3.86Å; K19-E30 WeakPolarHBondContact CB-OE1 3.29Å; K19-E30 WeakPolarHBondContact CD-OE1 3.49Å
20F89.7Confident87.6Confident80 Ų8069 Ų6935%0.35139%0.394SS..EExtended strand (participates in β ladder)trans-132.5154.7178.762-93.4000109.3P3 F14 V22 F27 F28P3-F20 HydrophobicContact CG-CD1 4Å; P3-F20 HydrophobicContact CG-CD2 4.04Å; P3-F20 HydrophobicContact CG-CE1 3.99Å; P3-F20 HydrophobicContact CG-CE2 4.03Å; P3-F20 HydrophobicContact CG-CG 4.03Å; P3-F20 HydrophobicContact CG-CZ 4Å; F14-F20 HydrophobicContact CD1-CB 3.84Å; F14-F20 HydrophobicContact CE1-CB 3.46Å; F14-F20 VanDerWaalsContact CE1-CB 3.46Å; F14-F20 HydrophobicContact CE1-CG 4.41Å; F14-F20 HydrophobicContact CZ-CB 4.2Å; F20-V22 HydrophobicContact CD2-CG2 4.07Å; F20-V22 HydrophobicContact CE2-CG2 4.02Å; F20-F27 AromaticContact CD2-CD1 3.97Å; F20-F27 HydrophobicContact CD2-CD1 3.97Å; F20-F27 HydrophobicContact CE2-CD1 4.03Å; F20-F27 HydrophobicContact CE2-CE1 4.24Å; F20-F28 CarbonylContact C-O 3.53Å; F20-F28 WeakPolarHBondContact CA-O 3.3Å; F20-F28 VanDerWaalsContact CB-O 3.3Å; F20-F28 WeakPolarHBondContact CB-O 3.21Å
21V92Very high87.4Confident20 Ų2068.7 Ų68.712%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-116.7145.4177.3-63.40000108.6F28 E30 P33 P45V21-F28 HydrophobicContact CG2-CB 3.78Å; V21-F28 PolarHBondContact N-O 3.35Å; V21-F28 PolarHBondContact O-N 2.85Å; V21-E30 HydrophobicContact CG1-CG 4.2Å; V21-P33 HydrophobicContact CG2-CG 3.71Å; V21-P45 HydrophobicContact CB-CG 3.94Å; V21-P45 HydrophobicContact CG1-CG 3.97Å; V21-P45 HydrophobicContact CG2-CB 4.44Å; V21-P45 HydrophobicContact CG2-CG 3.6Å
22V92.9Very high87.4Confident72 Ų7264.2 Ų64.244%0.43638%0.377SS..EExtended strand (participates in β ladder)trans-112.6124.4-179.8-176.20000108F20 F26 F27F20-V22 HydrophobicContact CD2-CG2 4.07Å; F20-V22 HydrophobicContact CE2-CG2 4.02Å; V22-F26 WeakPolarHBondContact CA-O 3.31Å; V22-F27 HydrophobicContact CG2-CD1 3.81Å; V22-F27 HydrophobicContact CG2-CE1 3.87Å
23V93.1Very high87.6Confident5 Ų559.6 Ų59.63%0.0335%0.352CS..EExtended strand (participates in β ladder)trans-125108.1173.9-174.30000108R25 F26 F28 P45 A49 C51 V56V23-R25 PolarHBondContact O-N 3.33Å; V23-F26 PolarHBondContact N-O 3.05Å; V23-F26 PolarHBondContact O-N 2.96Å; V23-F26 VanDerWaalsContact O-N 3.12Å; V23-F28 HydrophobicContact CB-CE2 4.06Å; V23-F28 HydrophobicContact CG2-CD2 4.38Å; V23-F28 HydrophobicContact CG2-CE2 4.33Å; V23-P45 HydrophobicContact CG2-CB 4.11Å; V23-A49 HydrophobicContact CG1-CB 3.78Å; V23-A49 HydrophobicContact CG2-CB 3.96Å; V23-C51 HydrophobicContact CG1-CB 4.36Å; V23-V56 HydrophobicContact CB-CG1 4.46Å; V23-V56 HydrophobicContact CB-CG2 4.3Å; V23-V56 HydrophobicContact CG1-CG1 3.94Å; V23-V56 HydrophobicContact CG1-CG2 4.01Å
24G90.7Very high87.8Confident58 Ų5862.6 Ų62.660%0.59836%0.358SS*.THydrogen-bonded Turntrans60.4-117.6-170.500000111.3
25R90.7Very high88.1Confident144 Ų14462.5 Ų62.554%0.54336%0.358SS..THydrogen-bonded Turntrans-950178.971.8178.1-168.9-173.6-0.7114.4V23 D54V23-R25 PolarHBondContact O-N 3.33Å; R25-D54 IonicContact CZ-OD1 3.44Å; R25-D54 IonicContact CZ-OD2 3.15Å; R25-D54 IonicContact NE-OD1 3.99Å; R25-D54 PolarHBondContact NE-OD1 3.15Å; R25-D54 VanDerWaalsContact NE-OD1 3.15Å; R25-D54 IonicContact NH1-OD1 2.67Å; R25-D54 PolarHBondContact NH1-OD1 3.46Å; R25-D54 IonicContact NH1-OD2 3.74Å; R25-D54 IonicContact NH2-OD1 2.6Å; R25-D54 PolarHBondContact NH2-OD1 3.3Å; R25-D54 IonicContact NH2-OD2 3.21Å; R25-D54 PolarHBondContact NH2-OD2 2.9Å
26F93.5Very high88.5Confident19 Ų1962.2 Ų62.28%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-107.1141.5-170.1-60.7-60.7000111.9H8 V22 V23 F28 D54 V56H8-F26 HydrophobicContact CB-CB 3.92Å; H8-F26 HydrophobicContact CB-CD1 4.23Å; H8-F26 HydrophobicContact CB-CG 4.25Å; H8-F26 AromaticContact CE1-CD1 3.65Å; H8-F26 AromaticContact CE1-CE1 3.38Å; H8-F26 WeakPolarHBondContact CE1-CE1 3.49Å; H8-F26 AromaticContact CE1-CZ 3.64Å; H8-F26 AromaticContact CG-CD1 3.71Å; H8-F26 AromaticContact CG-CG 3.83Å; H8-F26 AromaticContact ND1-CD1 3.25Å; H8-F26 WeakPolarHBondContact ND1-CD1 3.34Å; H8-F26 AromaticContact ND1-CE1 3.42Å; H8-F26 WeakPolarHBondContact ND1-CE1 3.18Å; H8-F26 AromaticContact ND1-CG 3.83Å; V22-F26 WeakPolarHBondContact CA-O 3.31Å; V23-F26 PolarHBondContact N-O 3.05Å; V23-F26 PolarHBondContact O-N 2.96Å; V23-F26 VanDerWaalsContact O-N 3.12Å; F26-F28 HydrophobicContact CB-CD2 4.27Å; F26-F28 HydrophobicContact CB-CE2 3.42Å; F26-F28 VanDerWaalsContact CB-CE2 3.42Å; F26-F28 HydrophobicContact CB-CZ 3.83Å; F26-D54 HydrophobicContact CE2-CB 4.28Å; F26-D54 WeakPolarHBondContact CE2-O 3.2Å; F26-D54 HydrophobicContact CZ-CB 4Å; F26-V56 HydrophobicContact CD2-CG2 4.05Å
27F93.3Very high89.6Confident52 Ų5262.2 Ų62.223%0.22833%0.325CS..EExtended strand (participates in β ladder)trans-101.3137.3175.3-59.7-91.8000110P3 Q5 C7 H8 F14 F20 V22P3-F27 HydrophobicContact CB-CB 4.2Å; P3-F27 HydrophobicContact CB-CD1 3.64Å; P3-F27 HydrophobicContact CB-CD2 4.15Å; P3-F27 HydrophobicContact CB-CE1 3.99Å; P3-F27 HydrophobicContact CB-CE2 4.47Å; P3-F27 HydrophobicContact CB-CG 3.73Å; P3-F27 HydrophobicContact CB-CZ 4.39Å; P3-F27 HydrophobicContact CG-CB 4.35Å; P3-F27 HydrophobicContact CG-CD1 3.6Å; P3-F27 HydrophobicContact CG-CE1 4.11Å; P3-F27 HydrophobicContact CG-CG 4.06Å; Q5-F27 HydrophobicContact CB-CD2 4.21Å; C7-F27 CarbonylContact C-O 3.55Å; C7-F27 WeakPolarHBondContact CA-O 3.06Å; H8-F27 PolarHBondContact N-O 2.89Å; F14-F27 HydrophobicContact CE2-CB 3.65Å; F14-F27 HydrophobicContact CZ-CB 3.6Å; F20-F27 AromaticContact CD2-CD1 3.97Å; F20-F27 HydrophobicContact CD2-CD1 3.97Å; F20-F27 HydrophobicContact CE2-CD1 4.03Å; F20-F27 HydrophobicContact CE2-CE1 4.24Å; V22-F27 HydrophobicContact CG2-CD1 3.81Å; V22-F27 HydrophobicContact CG2-CE1 3.87Å
28F94Very high90.7Very high6 Ų657.5 Ų57.53%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-134.8151.7177.3-57.5-101.9000111.7H8 F20 V21 V23 F26 C32 P33 V56H8-F28 HydrophobicContact CB-CD1 4.08Å; H8-F28 HydrophobicContact CB-CE1 3.6Å; H8-F28 HydrophobicContact CB-CE2 4.27Å; H8-F28 HydrophobicContact CB-CZ 3.69Å; H8-F28 AromaticContact CD2-CE1 3.66Å; H8-F28 AromaticContact CD2-CZ 3.53Å; H8-F28 AromaticContact CG-CZ 3.91Å; F20-F28 CarbonylContact C-O 3.53Å; F20-F28 WeakPolarHBondContact CA-O 3.3Å; F20-F28 VanDerWaalsContact CB-O 3.3Å; F20-F28 WeakPolarHBondContact CB-O 3.21Å; V21-F28 HydrophobicContact CG2-CB 3.78Å; V21-F28 PolarHBondContact N-O 3.35Å; V21-F28 PolarHBondContact O-N 2.85Å; V23-F28 HydrophobicContact CB-CE2 4.06Å; V23-F28 HydrophobicContact CG2-CD2 4.38Å; V23-F28 HydrophobicContact CG2-CE2 4.33Å; F26-F28 HydrophobicContact CB-CD2 4.27Å; F26-F28 HydrophobicContact CB-CE2 3.42Å; F26-F28 VanDerWaalsContact CB-CE2 3.42Å; F26-F28 HydrophobicContact CB-CZ 3.83Å; F28-C32 HydrophobicContact CB-CB 4.21Å; F28-C32 HydrophobicContact CD1-CB 4.32Å; F28-P33 HydrophobicContact CB-CG 3.58Å; F28-P33 HydrophobicContact CD1-CB 4.44Å; F28-P33 HydrophobicContact CD1-CG 3.96Å; F28-P33 HydrophobicContact CD2-CG 4.13Å; F28-P33 HydrophobicContact CG-CG 3.66Å; F28-V56 HydrophobicContact CE2-CG2 4.1Å; F28-V56 HydrophobicContact CZ-CB 4.43Å; F28-V56 HydrophobicContact CZ-CG2 3.75Å
29H92.5Very high91.7Very high31 Ų3160.7 Ų60.714%0.14431%0.309CS..EExtended strand (participates in β ladder)trans-62.7149.7158.6-58118.5000109.5C7 C10 F14 G31 C32 P33C7-H29 PolarHBondContact SG-N 3.2Å; C7-H29 VanDerWaalsContact SG-N 3.39Å; C7-H29 PolarHBondContact SG-ND1 3.12Å; C10-H29 PolarHBondContact SG-ND1 3.01Å; C10-H29 VanDerWaalsContact SG-ND1 3.38Å; F14-H29 AromaticContact CD1-CD2 3.74Å; F14-H29 AromaticContact CD1-NE2 3.79Å; F14-H29 AromaticContact CE1-CD2 3.7Å; F14-H29 AromaticContact CE1-NE2 3.99Å; H29-G31 PolarHBondContact O-N 2.86Å; H29-C32 HydrophobicContact CB-CB 4.12Å; H29-C32 WeakPolarHBondContact O-CB 3.37Å; H29-C32 PolarHBondContact O-N 2.72Å; H29-P33 VanDerWaalsContact O-CD 3.22Å; H29-P33 WeakPolarHBondContact O-CD 3.33Å
30E88.8Confident92.3Very high105 Ų10560.6 Ų60.649%0.49131%0.309SS..THydrogen-bonded Turntrans-48.8-32.5-178.1-69.3-175.8151.500114K19 V21K19-E30 VanDerWaalsContact CB-CD 3.42Å; K19-E30 HydrophobicContact CB-CG 3.86Å; K19-E30 WeakPolarHBondContact CB-OE1 3.29Å; K19-E30 WeakPolarHBondContact CD-OE1 3.49Å; V21-E30 HydrophobicContact CG1-CG 4.2Å
31G89.6Confident92.5Very high42 Ų4262.1 Ų62.143%0.43332%0.315SS..THydrogen-bonded Turntrans-95.2-1.2179.200000116.7H29 K41H29-G31 PolarHBondContact O-N 2.86Å; G31-K41 WeakPolarHBondContact O-CE 3.48Å
32C94.2Very high92.7Very high27 Ų2761.4 Ų61.418%0.18231%0.311CS..  trans-89.6-25.9-172.1-79.90000116.6C7 F28 H29 K34C7-C32 VanDerWaalsContact SG-CB 3.52Å; C7-C32 VanDerWaalsContact SG-SG 3.65Å; F28-C32 HydrophobicContact CB-CB 4.21Å; F28-C32 HydrophobicContact CD1-CB 4.32Å; H29-C32 HydrophobicContact CB-CB 4.12Å; H29-C32 WeakPolarHBondContact O-CB 3.37Å; H29-C32 PolarHBondContact O-N 2.72Å; C32-K34 PolarHBondContact O-N 3.21Å
33P95Very high92.7Very high0 Ų063.1 Ų63.10%032%0.318CS..  trans-60.2127179.3-30.340000111.8V21 F28 H29 K41 I42 P45V21-P33 HydrophobicContact CG2-CG 3.71Å; F28-P33 HydrophobicContact CB-CG 3.58Å; F28-P33 HydrophobicContact CD1-CB 4.44Å; F28-P33 HydrophobicContact CD1-CG 3.96Å; F28-P33 HydrophobicContact CD2-CG 4.13Å; F28-P33 HydrophobicContact CG-CG 3.66Å; H29-P33 VanDerWaalsContact O-CD 3.22Å; H29-P33 WeakPolarHBondContact O-CD 3.33Å; P33-K41 WeakPolarHBondContact O-CA 3.49Å; P33-I42 HydrophobicContact CB-CB 4.37Å; P33-I42 PolarHBondContact O-N 2.92Å; P33-P45 HydrophobicContact CB-CB 3.8Å; P33-P45 HydrophobicContact CB-CG 4.3Å; P33-P45 HydrophobicContact CG-CB 3.76Å; P33-P45 HydrophobicContact CG-CG 3.8Å
34K95Very high92.7Very high132 Ų13268.2 Ų68.257%0.57435%0.345SS*.BIsolated β-bridgetrans-126.4147170.3-65.6-179.2-177.4179.40107.9C32 K40C32-K34 PolarHBondContact O-N 3.21Å; K34-K40 CarbonylContact C-O 3.58Å; K34-K40 VanDerWaalsContact CA-O 3.27Å; K34-K40 WeakPolarHBondContact CA-O 3.47Å
35C94.1Very high92.7Very high1 Ų165.8 Ų65.81%0.00732%0.318CS..  trans-73.8127.7175.5176.50000110.3Y37 C38 H39 K40 I42 V56 C58 H61C35-Y37 PolarHBondContact O-N 2.97Å; C35-Y37 PolarHBondContact SG-N 3.08Å; C35-C38 VanDerWaalsContact CB-SG 3.54Å; C35-C38 PolarHBondContact SG-N 3.37Å; C35-C38 VanDerWaalsContact SG-SG 3.69Å; C35-H39 WeakPolarHBondContact O-CA 3.37Å; C35-H39 PolarHBondContact O-N 3.21Å; C35-K40 PolarHBondContact N-O 2.91Å; C35-I42 HydrophobicContact CB-CD1 4.04Å; C35-I42 HydrophobicContact CB-CG1 4.1Å; C35-V56 CarbonylContact C-O 3.59Å; C35-V56 WeakPolarHBondContact CA-O 3.4Å; C35-C58 WeakPolarHBondContact CB-SG 3.49Å; C35-C58 PolarHBondContact SG-N 3.3Å; C35-H61 VanDerWaalsContact SG-CD2 3.56Å
36D91.2Very high92.7Very high68 Ų6864.4 Ų64.436%0.36432%0.322SS..THydrogen-bonded Turntrans-67.3-17.2176.7-74-42.5000113H39 Q55 V56 V57 L83D36-H39 PolarHBondContact O-CE1 3.47Å; D36-Q55 HydrophobicContact CB-CB 4.21Å; D36-Q55 WeakPolarHBondContact OD2-CA 3.36Å; D36-Q55 WeakPolarHBondContact OD2-CB 3.39Å; D36-V56 PolarHBondContact N-O 2.9Å; D36-V56 PolarHBondContact OD2-N 3.37Å; D36-V57 HydrophobicContact CB-CG1 4.48Å; D36-L83 HydrophobicContact CB-CD2 3.92Å; D36-L83 WeakPolarHBondContact O-CD2 3.28Å
37Y89.6Confident92.7Very high84 Ų8467.6 Ų67.633%0.32934%0.343SS..THydrogen-bonded Turntrans-88.7-59.4177.8-174.8-115.6000112.8C35 H61 E66 L67 P82 L83C35-Y37 PolarHBondContact O-N 2.97Å; C35-Y37 PolarHBondContact SG-N 3.08Å; Y37-H61 HydrophobicContact CD1-CB 4.25Å; Y37-H61 AromaticContact CD1-CD2 3.62Å; Y37-H61 AromaticContact CD1-CE1 3.52Å; Y37-H61 AromaticContact CD1-CG 3.55Å; Y37-H61 AromaticContact CD1-ND1 3.47Å; Y37-H61 WeakPolarHBondContact CD1-ND1 3.46Å; Y37-H61 AromaticContact CD1-NE2 3.63Å; Y37-H61 AromaticContact CE1-CE1 3.84Å; Y37-H61 AromaticContact CE1-ND1 3.63Å; Y37-E66 HydrophobicContact CE1-CB 4.29Å; Y37-L67 HydrophobicContact CD1-CD2 4.26Å; Y37-L67 HydrophobicContact CD2-CD2 3.51Å; Y37-L67 HydrophobicContact CE2-CD2 3.93Å; Y37-L67 HydrophobicContact CG-CD2 3.69Å; Y37-P82 HydrophobicContact CD2-CB 4.27Å; Y37-P82 HydrophobicContact CE2-CB 3.66Å; Y37-P82 HydrophobicContact CE2-CG 4.4Å; Y37-L83 VanDerWaalsContact CA-CD2 3.44Å; Y37-L83 HydrophobicContact CD2-CD2 4.12Å; Y37-L83 HydrophobicContact CD2-CG 4.34Å; Y37-L83 HydrophobicContact CG-CD2 4.35Å
38C91.9Very high92.8Very high36 Ų3668.6 Ų68.624%0.24335%0.35CS..THydrogen-bonded Turntrans-95.8-3.9-176.569.80000114.2C35 K40 H61C35-C38 VanDerWaalsContact CB-SG 3.54Å; C35-C38 PolarHBondContact SG-N 3.37Å; C35-C38 VanDerWaalsContact SG-SG 3.69Å; C38-K40 HydrophobicContact CB-CG 4.47Å; C38-K40 PolarHBondContact O-N 2.94Å; C38-H61 WeakPolarHBondContact CB-NE2 3.36Å; C38-H61 PolarHBondContact SG-NE2 3.16Å
39H91.8Very high92.8Very high141 Ų14169 Ų6965%0.65336%0.355SS*.  trans60.74.8-178.8-53.5-47.7000115.9C35 D36C35-H39 WeakPolarHBondContact O-CA 3.37Å; C35-H39 PolarHBondContact O-N 3.21Å; D36-H39 PolarHBondContact O-CE1 3.47Å
40K94.6Very high92.8Very high150 Ų15071.4 Ų71.465%0.65237%0.366SS*.  trans-76.3149.3175.8-62.4179.5-177.7176.50110.6K34 C35 C38K34-K40 CarbonylContact C-O 3.58Å; K34-K40 VanDerWaalsContact CA-O 3.27Å; K34-K40 WeakPolarHBondContact CA-O 3.47Å; C35-K40 PolarHBondContact N-O 2.91Å; C38-K40 HydrophobicContact CB-CG 4.47Å; C38-K40 PolarHBondContact O-N 2.94Å
41K94.8Very high92.9Very high111 Ų11168.1 Ų68.148%0.48335%0.354SS..BIsolated β-bridgetrans-59.7139.3168.3-175.3-174.1173.8-161.80109.1G31 P33G31-K41 WeakPolarHBondContact O-CE 3.48Å; P33-K41 WeakPolarHBondContact O-CA 3.49Å
42I95.4Very high92.7Very high6 Ų668.9 Ų68.93%0.03135%0.348CS..  trans-97.8113.6176.4-49.8178.8000108.4P33 C35 P45 N48 A49 V56P33-I42 HydrophobicContact CB-CB 4.37Å; P33-I42 PolarHBondContact O-N 2.92Å; C35-I42 HydrophobicContact CB-CD1 4.04Å; C35-I42 HydrophobicContact CB-CG1 4.1Å; I42-P45 HydrophobicContact CB-CB 4.47Å; I42-P45 HydrophobicContact CG2-CB 4.33Å; I42-N48 HydrophobicContact CG2-CB 3.81Å; I42-A49 HydrophobicContact CD1-CB 3.66Å; I42-A49 HydrophobicContact CG2-CB 4.06Å; I42-V56 HydrophobicContact CD1-CG1 3.95Å
43D93Very high92Very high108 Ų10871.5 Ų71.558%0.57836%0.36SS*.SBendtrans-77.9139171.7-62.2-43.9000109.8N48D43-N48 WeakPolarHBondContact O-CB 3.48Å; D43-N48 PolarHBondContact O-ND2 3.17Å
44N92.5Very high91.5Very high111 Ų11175.1 Ų75.159%0.59438%0.38SS*.SBendtrans4862.3-173.2-58.6-19.9000112.5D46 V47 N48N44-D46 WeakPolarHBondContact CA-OD1 3.46Å; N44-D46 PolarHBondContact O-N 3.4Å; N44-V47 PolarHBondContact O-N 3.42Å; N44-N48 WeakPolarHBondContact O-CB 3.35Å; N44-N48 PolarHBondContact O-N 3.03Å
45P92.2Very high91.1Very high7 Ų770.5 Ų70.55%0.04536%0.36CS..Hα-helixtrans-63.9-21.5-171.426.6-35.4000113.9V21 V23 P33 I42 V47 A49V21-P45 HydrophobicContact CB-CG 3.94Å; V21-P45 HydrophobicContact CG1-CG 3.97Å; V21-P45 HydrophobicContact CG2-CB 4.44Å; V21-P45 HydrophobicContact CG2-CG 3.6Å; V23-P45 HydrophobicContact CG2-CB 4.11Å; P33-P45 HydrophobicContact CB-CB 3.8Å; P33-P45 HydrophobicContact CB-CG 4.3Å; P33-P45 HydrophobicContact CG-CB 3.76Å; P33-P45 HydrophobicContact CG-CG 3.8Å; I42-P45 HydrophobicContact CB-CB 4.47Å; I42-P45 HydrophobicContact CG2-CB 4.33Å; P45-V47 PolarHBondContact O-N 2.81Å; P45-A49 HydrophobicContact CB-CB 4.07Å; P45-A49 WeakPolarHBondContact O-CA 3.25Å; P45-A49 WeakPolarHBondContact O-CB 3.09Å; P45-A49 PolarHBondContact O-N 2.92Å
46D90Very high91.1Very high116 Ų11670.5 Ų70.562%0.6236%0.36SS*.Hα-helixtrans-63-27.9170.357-47.5000113.4N44N44-D46 WeakPolarHBondContact CA-OD1 3.46Å; N44-D46 PolarHBondContact O-N 3.4Å
47V92.9Very high91.2Very high86 Ų8667.3 Ų67.352%0.52134%0.343SS..Hα-helixtrans-104.4-40.2178.7-177.40000111.8N44 P45N44-V47 PolarHBondContact O-N 3.42Å; P45-V47 PolarHBondContact O-N 2.81Å
48N95.2Very high91.4Very high72 Ų7264.3 Ų64.339%0.38533%0.334SS..Hα-helixtrans-103.8-2.6-167.1-67.3-31.1000114I42 D43 N44 C58 K59I42-N48 HydrophobicContact CG2-CB 3.81Å; D43-N48 WeakPolarHBondContact O-CB 3.48Å; D43-N48 PolarHBondContact O-ND2 3.17Å; N44-N48 WeakPolarHBondContact O-CB 3.35Å; N44-N48 PolarHBondContact O-N 3.03Å; N48-C58 CarbonylContact O-C 3.56Å; N48-C58 WeakPolarHBondContact O-CA 3.36Å; N48-K59 PolarHBondContact O-N 3.3Å
49A94.5Very high91.5Very high15 Ų1566.9 Ų66.912%0.12434%0.341CS..EExtended strand (participates in β ladder)trans-112.2150.3175.400000111.9V23 I42 P45 V56 V57V23-A49 HydrophobicContact CG1-CB 3.78Å; V23-A49 HydrophobicContact CG2-CB 3.96Å; I42-A49 HydrophobicContact CD1-CB 3.66Å; I42-A49 HydrophobicContact CG2-CB 4.06Å; P45-A49 HydrophobicContact CB-CB 4.07Å; P45-A49 WeakPolarHBondContact O-CA 3.25Å; P45-A49 WeakPolarHBondContact O-CB 3.09Å; P45-A49 PolarHBondContact O-N 2.92Å; A49-V56 HydrophobicContact CB-CG1 4.08Å; A49-V57 CarbonylContact C-O 3.6Å; A49-V57 VanDerWaalsContact CA-O 3.27Å; A49-V57 WeakPolarHBondContact CA-O 3.44Å
50Q92.8Very high91.5Very high82 Ų8262.7 Ų62.738%0.38333%0.331SS..EExtended strand (participates in β ladder)trans-139.3143.3170.8-176.8166.8-600109.8V57 I62Q50-V57 PolarHBondContact N-O 3.39Å; Q50-V57 PolarHBondContact O-N 3Å; Q50-I62 HydrophobicContact CB-CD1 3.56Å; Q50-I62 VanDerWaalsContact CD-CD1 3.47Å; Q50-I62 HydrophobicContact CG-CD1 3.78Å
51C90.6Very high91.3Very high35 Ų3556.8 Ų56.824%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-93.1112.9175.2-172.60000109.6V23 Q55V23-C51 HydrophobicContact CG1-CB 4.36Å; C51-Q55 CarbonylContact C-O 3.5Å; C51-Q55 VanDerWaalsContact CA-O 3.27Å; C51-Q55 WeakPolarHBondContact CA-O 3.39Å
52L85.3Confident91Very high59 Ų5953.5 Ų53.531%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-112.7117.6172.3-74169.8000108.2D54 Q55 V57 I62 L67L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 3.5Å; L52-Q55 PolarHBondContact N-O 3.25Å; L52-Q55 WeakPolarHBondContact O-CA 3.22Å; L52-Q55 VanDerWaalsContact O-CB 3.27Å; L52-Q55 WeakPolarHBondContact O-CB 2.77Å; L52-Q55 PolarHBondContact O-N 3.46Å; L52-V57 HydrophobicContact CD1-CG2 3.9Å; L52-V57 HydrophobicContact CG-CG2 4.46Å; L52-I62 HydrophobicContact CD1-CD1 3.54Å; L52-I62 HydrophobicContact CD1-CG1 3.77Å; L52-I62 HydrophobicContact CG-CD1 4.08Å; L52-L67 HydrophobicContact CD1-CD1 4.44Å
53D79Confident90.7Very high82 Ų8258.1 Ų58.144%0.43932%0.317SS..THydrogen-bonded Turntrans47.349.3175.4-68.5-19.7000115.6Q55 K78D53-Q55 PolarHBondContact O-N 3.15Å; D53-K78 VanDerWaalsContact CG-CD 3.5Å; D53-K78 VanDerWaalsContact CG-NZ 3.32Å; D53-K78 WeakPolarHBondContact OD1-CD 3.41Å; D53-K78 WeakPolarHBondContact OD1-CE 3.25Å; D53-K78 IonicContact OD1-NZ 2.65Å; D53-K78 PolarHBondContact OD1-NZ 3.24Å; D53-K78 WeakPolarHBondContact OD2-CD 3.33Å; D53-K78 IonicContact OD2-NZ 3.5Å
54D84.7Confident90.5Very high75 Ų7558 Ų5840%0.40132%0.317SS..THydrogen-bonded Turntrans68.115-178-54.9-31000114.9R25 F26 L52R25-D54 IonicContact CZ-OD1 3.44Å; R25-D54 IonicContact CZ-OD2 3.15Å; R25-D54 IonicContact NE-OD1 3.99Å; R25-D54 PolarHBondContact NE-OD1 3.15Å; R25-D54 VanDerWaalsContact NE-OD1 3.15Å; R25-D54 IonicContact NH1-OD1 2.67Å; R25-D54 PolarHBondContact NH1-OD1 3.46Å; R25-D54 IonicContact NH1-OD2 3.74Å; R25-D54 IonicContact NH2-OD1 2.6Å; R25-D54 PolarHBondContact NH2-OD1 3.3Å; R25-D54 IonicContact NH2-OD2 3.21Å; R25-D54 PolarHBondContact NH2-OD2 2.9Å; F26-D54 HydrophobicContact CE2-CB 4.28Å; F26-D54 WeakPolarHBondContact CE2-O 3.2Å; F26-D54 HydrophobicContact CZ-CB 4Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 3.5Å
55Q87.7Confident90Very high35 Ų3561.4 Ų61.416%0.16433%0.326CS..EExtended strand (participates in β ladder)trans-115.8133.3175.4-58.1173.7-21.700110.3D36 C51 L52 D53 L83D36-Q55 HydrophobicContact CB-CB 4.21Å; D36-Q55 WeakPolarHBondContact OD2-CA 3.36Å; D36-Q55 WeakPolarHBondContact OD2-CB 3.39Å; C51-Q55 CarbonylContact C-O 3.5Å; C51-Q55 VanDerWaalsContact CA-O 3.27Å; C51-Q55 WeakPolarHBondContact CA-O 3.39Å; L52-Q55 PolarHBondContact N-O 3.25Å; L52-Q55 WeakPolarHBondContact O-CA 3.22Å; L52-Q55 VanDerWaalsContact O-CB 3.27Å; L52-Q55 WeakPolarHBondContact O-CB 2.77Å; L52-Q55 PolarHBondContact O-N 3.46Å; D53-Q55 PolarHBondContact O-N 3.15Å; Q55-L83 PolarHBondContact NE2-O 2.83Å
56V93Very high89.5Confident2 Ų264.5 Ų64.51%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-96.1118.7179172.10000109.1V23 F26 F28 C35 D36 I42 A49V23-V56 HydrophobicContact CB-CG1 4.46Å; V23-V56 HydrophobicContact CB-CG2 4.3Å; V23-V56 HydrophobicContact CG1-CG1 3.94Å; V23-V56 HydrophobicContact CG1-CG2 4.01Å; F26-V56 HydrophobicContact CD2-CG2 4.05Å; F28-V56 HydrophobicContact CE2-CG2 4.1Å; F28-V56 HydrophobicContact CZ-CB 4.43Å; F28-V56 HydrophobicContact CZ-CG2 3.75Å; C35-V56 CarbonylContact C-O 3.59Å; C35-V56 WeakPolarHBondContact CA-O 3.4Å; D36-V56 PolarHBondContact N-O 2.9Å; D36-V56 PolarHBondContact OD2-N 3.37Å; I42-V56 HydrophobicContact CD1-CG1 3.95Å; A49-V56 HydrophobicContact CB-CG1 4.08Å
57V93.2Very high88.7Confident0 Ų060.1 Ų60.10%032%0.317CS..EExtended strand (participates in β ladder)trans-127.1157.4-177.4-63.10000112.5D36 A49 Q50 L52 K59 I62 L67 L83D36-V57 HydrophobicContact CB-CG1 4.48Å; A49-V57 CarbonylContact C-O 3.6Å; A49-V57 VanDerWaalsContact CA-O 3.27Å; A49-V57 WeakPolarHBondContact CA-O 3.44Å; Q50-V57 PolarHBondContact N-O 3.39Å; Q50-V57 PolarHBondContact O-N 3Å; L52-V57 HydrophobicContact CD1-CG2 3.9Å; L52-V57 HydrophobicContact CG-CG2 4.46Å; V57-K59 PolarHBondContact O-N 3.43Å; V57-I62 HydrophobicContact CG2-CD1 3.7Å; V57-I62 HydrophobicContact CG2-CG1 3.9Å; V57-L67 HydrophobicContact CB-CD1 3.81Å; V57-L67 HydrophobicContact CG1-CD1 3.86Å; V57-L67 HydrophobicContact CG2-CD1 3.72Å; V57-L83 HydrophobicContact CG1-CD1 3.55Å; V57-L83 HydrophobicContact CG1-CD2 4.14Å; V57-L83 HydrophobicContact CG1-CG 4.48Å
58C94.6Very high87.1Confident22 Ų2257.8 Ų57.815%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-63.5133.1168.3-61.10000109.4C35 N48 A60 H61C35-C58 WeakPolarHBondContact CB-SG 3.49Å; C35-C58 PolarHBondContact SG-N 3.3Å; N48-C58 CarbonylContact O-C 3.56Å; N48-C58 WeakPolarHBondContact O-CA 3.36Å; C58-A60 HydrophobicContact CB-CB 4.44Å; C58-A60 PolarHBondContact O-N 3.18Å; C58-H61 PolarHBondContact O-N 3.15Å
59K93Very high85.4Confident90 Ų9056.5 Ų56.539%0.39131%0.309SS..Hα-helixtrans-54.2-35172.4-168.4-179.6175.3179.90111.9N48 V57 H61 I62 D63N48-K59 PolarHBondContact O-N 3.3Å; V57-K59 PolarHBondContact O-N 3.43Å; K59-H61 VanDerWaalsContact C-N 3.28Å; K59-H61 PolarHBondContact O-N 2.89Å; K59-I62 WeakPolarHBondContact O-CA 3.5Å; K59-I62 WeakPolarHBondContact O-CB 3.48Å; K59-I62 PolarHBondContact O-N 3.5Å; K59-D63 PolarHBondContact O-N 3.14Å
60A92.9Very high84.2Confident52 Ų5262.3 Ų62.343%0.4334%0.339SS..Hα-helixtrans-53.8-39.5174.700000113.8C58 I62 D63 N64C58-A60 HydrophobicContact CB-CB 4.44Å; C58-A60 PolarHBondContact O-N 3.18Å; A60-I62 VanDerWaalsContact C-N 3.31Å; A60-I62 PolarHBondContact O-N 3.38Å; A60-D63 PolarHBondContact O-N 3.17Å; A60-N64 VanDerWaalsContact O-CB 3.22Å; A60-N64 WeakPolarHBondContact O-CB 3.29Å; A60-N64 PolarHBondContact O-N 3.02Å; A60-N64 PolarHBondContact O-ND2 2.99Å
61H90.9Very high83.7Confident27 Ų2764 Ų6413%0.12535%0.346CS..Hα-helixtrans-70.1-30.6178.3-64.6-55.8000112.3C35 Y37 C38 C58 K59 K65 E66 L67C35-H61 VanDerWaalsContact SG-CD2 3.56Å; Y37-H61 HydrophobicContact CD1-CB 4.25Å; Y37-H61 AromaticContact CD1-CD2 3.62Å; Y37-H61 AromaticContact CD1-CE1 3.52Å; Y37-H61 AromaticContact CD1-CG 3.55Å; Y37-H61 AromaticContact CD1-ND1 3.47Å; Y37-H61 WeakPolarHBondContact CD1-ND1 3.46Å; Y37-H61 AromaticContact CD1-NE2 3.63Å; Y37-H61 AromaticContact CE1-CE1 3.84Å; Y37-H61 AromaticContact CE1-ND1 3.63Å; C38-H61 WeakPolarHBondContact CB-NE2 3.36Å; C38-H61 PolarHBondContact SG-NE2 3.16Å; C58-H61 PolarHBondContact O-N 3.15Å; K59-H61 VanDerWaalsContact C-N 3.28Å; K59-H61 PolarHBondContact O-N 2.89Å; H61-K65 PolarHBondContact O-N 3.18Å; H61-E66 HydrophobicContact CB-CB 4.34Å; H61-E66 IonicContact CE1-OE2 2.7Å; H61-E66 PolarHBondContact CE1-OE2 3.35Å; H61-E66 IonicContact CG-OE2 3.58Å; H61-E66 IonicContact ND1-OE1 3.83Å; H61-E66 IonicContact ND1-OE2 3.52Å; H61-E66 PolarHBondContact ND1-OE2 3.38Å; H61-E66 WeakPolarHBondContact O-CB 3.28Å; H61-E66 PolarHBondContact O-N 3.39Å; H61-L67 HydrophobicContact CB-CD1 3.54Å; H61-L67 HydrophobicContact CB-CG 3.83Å
62I86.8Confident83.6Confident42 Ų4265.8 Ų65.822%0.21536%0.357CS..Hα-helixtrans-71.9-49.8174.6-56.6177.6000109.5Q50 L52 V57 K59 A60 N64 K65 L67Q50-I62 HydrophobicContact CB-CD1 3.56Å; Q50-I62 VanDerWaalsContact CD-CD1 3.47Å; Q50-I62 HydrophobicContact CG-CD1 3.78Å; L52-I62 HydrophobicContact CD1-CD1 3.54Å; L52-I62 HydrophobicContact CD1-CG1 3.77Å; L52-I62 HydrophobicContact CG-CD1 4.08Å; V57-I62 HydrophobicContact CG2-CD1 3.7Å; V57-I62 HydrophobicContact CG2-CG1 3.9Å; K59-I62 WeakPolarHBondContact O-CA 3.5Å; K59-I62 WeakPolarHBondContact O-CB 3.48Å; K59-I62 PolarHBondContact O-N 3.5Å; A60-I62 VanDerWaalsContact C-N 3.31Å; A60-I62 PolarHBondContact O-N 3.38Å; I62-N64 VanDerWaalsContact C-N 3.28Å; I62-N64 PolarHBondContact O-N 3.44Å; I62-K65 WeakPolarHBondContact O-CA 3.4Å; I62-K65 PolarHBondContact O-N 2.96Å; I62-L67 HydrophobicContact CG1-CD1 4.09Å
63D89.1Confident83.9Confident102 Ų10263 Ų6355%0.54534%0.342SS..Hα-helixtrans-61-38.6-178.8-66.4-19.5000111.4K59 A60 K65K59-D63 PolarHBondContact O-N 3.14Å; A60-D63 PolarHBondContact O-N 3.17Å; D63-K65 PolarHBondContact O-N 3.35Å
64N88.9Confident84.4Confident106 Ų10663.6 Ų63.657%0.56735%0.349SS*.THydrogen-bonded Turntrans-77.9-0.2175.5-67.6-15.6000113.9A60 I62 E66A60-N64 VanDerWaalsContact O-CB 3.22Å; A60-N64 WeakPolarHBondContact O-CB 3.29Å; A60-N64 PolarHBondContact O-N 3.02Å; A60-N64 PolarHBondContact O-ND2 2.99Å; I62-N64 VanDerWaalsContact C-N 3.28Å; I62-N64 PolarHBondContact O-N 3.44Å; N64-E66 HydrophobicContact CB-CG 3.79Å; N64-E66 WeakPolarHBondContact CB-OE1 3.33Å; N64-E66 PolarHBondContact ND2-OE1 2.86Å; N64-E66 PolarHBondContact O-N 3.2Å
65K82.4Confident84.7Confident182 Ų18262.8 Ų62.879%0.79135%0.346SS*.THydrogen-bonded Turntrans54.431.9-175.5-54.6-179.3179.1-178.50113.3H61 I62 D63 L67H61-K65 PolarHBondContact O-N 3.18Å; I62-K65 WeakPolarHBondContact O-CA 3.4Å; I62-K65 PolarHBondContact O-N 2.96Å; D63-K65 PolarHBondContact O-N 3.35Å; K65-L67 PolarHBondContact O-N 2.89Å
66E83Confident84.9Confident73 Ų7363.5 Ų63.534%0.34136%0.355SS..  trans-75.3-18.4173.9-64.4173-151.300111.1Y37 H61 N64 P82Y37-E66 HydrophobicContact CE1-CB 4.29Å; H61-E66 HydrophobicContact CB-CB 4.34Å; H61-E66 IonicContact CE1-OE2 2.7Å; H61-E66 PolarHBondContact CE1-OE2 3.35Å; H61-E66 IonicContact CG-OE2 3.58Å; H61-E66 IonicContact ND1-OE1 3.83Å; H61-E66 IonicContact ND1-OE2 3.52Å; H61-E66 PolarHBondContact ND1-OE2 3.38Å; H61-E66 WeakPolarHBondContact O-CB 3.28Å; H61-E66 PolarHBondContact O-N 3.39Å; N64-E66 HydrophobicContact CB-CG 3.79Å; N64-E66 WeakPolarHBondContact CB-OE1 3.33Å; N64-E66 PolarHBondContact ND2-OE1 2.86Å; N64-E66 PolarHBondContact O-N 3.2Å; E66-P82 WeakPolarHBondContact O-CG 3.3Å
67L72.4Confident84.7Confident23 Ų2365.9 Ų65.912%0.1238%0.38CS..SBendtrans-112.584-178.5-61.6174.3000110Y37 L52 V57 H61 I62 K65 L83Y37-L67 HydrophobicContact CD1-CD2 4.26Å; Y37-L67 HydrophobicContact CD2-CD2 3.51Å; Y37-L67 HydrophobicContact CE2-CD2 3.93Å; Y37-L67 HydrophobicContact CG-CD2 3.69Å; L52-L67 HydrophobicContact CD1-CD1 4.44Å; V57-L67 HydrophobicContact CB-CD1 3.81Å; V57-L67 HydrophobicContact CG1-CD1 3.86Å; V57-L67 HydrophobicContact CG2-CD1 3.72Å; H61-L67 HydrophobicContact CB-CD1 3.54Å; H61-L67 HydrophobicContact CB-CG 3.83Å; I62-L67 HydrophobicContact CG1-CD1 4.09Å; K65-L67 PolarHBondContact O-N 2.89Å; L67-L83 HydrophobicContact CD1-CD1 4.14Å; L67-L83 HydrophobicContact CD2-CD1 3.67Å; L67-L83 HydrophobicContact CD2-CG 3.82Å; L67-L83 HydrophobicContact CG-CD1 4.44Å
68G58.3Low84.4Confident38 Ų3870.4 Ų70.439%0.39240%0.399SS..  trans167.294.7177.200000110.3
69A60.2Low84Confident44 Ų4474.9 Ų74.936%0.36442%0.418SS..  trans-131.795.7-179.800000109.6F80A69-F80 CarbonylContact C-O 3.52Å; A69-F80 PolarHBondContact N-O 3.46Å; A69-F80 VanDerWaalsContact N-O 3.13Å
70N69.5Low83.7Confident138 Ų13871 Ų7174%0.73840%0.401SS*.SBendtrans42132.6141.4-62.5-41.2000118.4
71E81.8Confident83.2Confident117 Ų11770 Ų7055%0.54739%0.39SS..  trans73.8139.9-170-52.5176.3168.600112.8F80 R94E71-F80 HydrophobicContact CB-CD2 3.96Å; E71-F80 HydrophobicContact CB-CE2 4.09Å; E71-F80 WeakPolarHBondContact O-CD2 3.14Å; E71-F80 PolarHBondContact O-N 3.06Å; E71-R94 WeakPolarHBondContact OE2-CD 3.32Å; E71-R94 IonicContact OE2-CZ 3.38Å; E71-R94 IonicContact OE2-NE 3.35Å; E71-R94 IonicContact OE2-NH1 2.71Å; E71-R94 PolarHBondContact OE2-NH1 2.94Å
72T89.3Confident82.6Confident73 Ų7372 Ų7245%0.44841%0.406SS..BIsolated β-bridgetrans-111147.8-177.452.40000110.5T74 K78 E79T72-T74 PolarHBondContact O-N 2.8Å; T72-K78 CarbonylContact C-O 3.5Å; T72-K78 WeakPolarHBondContact CA-O 3.3Å; T72-E79 HydrophobicContact CG2-CB 4.49Å; T72-E79 HydrophobicContact CG2-CG 3.78Å
73C91.4Very high82.2Confident0 Ų070.7 Ų70.70%040%0.399CS..  trans-67.5122.6171.3174.10000110.2T75 C76 G77 K78 F80 H96 C99C73-T75 PolarHBondContact O-N 2.84Å; C73-T75 VanDerWaalsContact O-N 3.1Å; C73-C76 VanDerWaalsContact CB-SG 3.58Å; C73-C76 PolarHBondContact O-N 2.98Å; C73-G77 VanDerWaalsContact O-CA 3.32Å; C73-G77 WeakPolarHBondContact O-CA 3.36Å; C73-G77 PolarHBondContact O-N 3.5Å; C73-K78 PolarHBondContact N-O 3.37Å; C73-F80 HydrophobicContact CB-CE1 3.69Å; C73-F80 HydrophobicContact CB-CZ 3.89Å; C73-H96 VanDerWaalsContact CB-CE1 3.41Å; C73-H96 WeakPolarHBondContact CB-CE1 3.45Å; C73-H96 VanDerWaalsContact CB-ND1 3.26Å; C73-H96 WeakPolarHBondContact CB-ND1 3.46Å; C73-H96 PolarHBondContact SG-N 3.48Å; C73-H96 VanDerWaalsContact SG-N 3.36Å; C73-C99 WeakPolarHBondContact SG-CB 3.32Å
74T89.3Confident82Confident95 Ų9567.7 Ų67.758%0.58338%0.383SS*.THydrogen-bonded Turntrans-60.3-25.2-178.7-55.10000114.1T72 V93 R94 F95T72-T74 PolarHBondContact O-N 2.8Å; T74-V93 HydrophobicContact CG2-CG1 4.04Å; T74-V93 WeakPolarHBondContact OG1-CG1 3.29Å; T74-R94 PolarHBondContact N-O 3.36Å; T74-F95 HydrophobicContact CG2-CE1 4.38Å
75T91Very high81.5Confident57 Ų5772.7 Ų72.735%0.3540%0.399SS..THydrogen-bonded Turntrans-86.9-42.1-178.8-51.70000113.7C73 F95 C99 R101C73-T75 PolarHBondContact O-N 2.84Å; C73-T75 VanDerWaalsContact O-N 3.1Å; T75-F95 WeakPolarHBondContact OG1-CD1 3.46Å; T75-F95 WeakPolarHBondContact OG1-CE1 3.42Å; T75-C99 WeakPolarHBondContact CB-O 3.44Å; T75-C99 HydrophobicContact CG2-CB 4.26Å; T75-C99 WeakPolarHBondContact CG2-O 3.31Å; T75-C99 PolarHBondContact OG1-O 3.13Å; T75-R101 HydrophobicContact CG2-CG 4.31Å
76C91.1Very high81.7Confident51 Ų5167.9 Ų67.935%0.34538%0.379SS..THydrogen-bonded Turntrans-106.1-8.8-175.771.80000114C73 K78 H96C73-C76 VanDerWaalsContact CB-SG 3.58Å; C73-C76 PolarHBondContact O-N 2.98Å; C76-K78 HydrophobicContact CB-CG 4.44Å; C76-K78 PolarHBondContact O-N 3.19Å; C76-H96 PolarHBondContact SG-CE1 3.2Å; C76-H96 PolarHBondContact SG-ND1 2.9Å
77G88.9Confident82Confident52 Ų5266.4 Ų66.454%0.53637%0.372SS..  trans72.8-2.7179.900000115.2C73C73-G77 VanDerWaalsContact O-CA 3.32Å; C73-G77 WeakPolarHBondContact O-CA 3.36Å; C73-G77 PolarHBondContact O-N 3.5Å
78K86.8Confident82.7Confident94 Ų9466.4 Ų66.441%0.40937%0.372SS..PPolyproline II helixtrans-81.6144.5-178.6-51.9-171.3-169.91770110.7D53 T72 C73 C76D53-K78 VanDerWaalsContact CG-CD 3.5Å; D53-K78 VanDerWaalsContact CG-NZ 3.32Å; D53-K78 WeakPolarHBondContact OD1-CD 3.41Å; D53-K78 WeakPolarHBondContact OD1-CE 3.25Å; D53-K78 IonicContact OD1-NZ 2.65Å; D53-K78 PolarHBondContact OD1-NZ 3.24Å; D53-K78 WeakPolarHBondContact OD2-CD 3.33Å; D53-K78 IonicContact OD2-NZ 3.5Å; T72-K78 CarbonylContact C-O 3.5Å; T72-K78 WeakPolarHBondContact CA-O 3.3Å; C73-K78 PolarHBondContact N-O 3.37Å; C76-K78 HydrophobicContact CB-CG 4.44Å; C76-K78 PolarHBondContact O-N 3.19Å
79E87.1Confident84.2Confident116 Ų11668.3 Ų68.354%0.54238%0.377SS..BIsolated β-bridgetrans-64.3147.1175.1-67.3179.9-17700110.7T72T72-E79 HydrophobicContact CG2-CB 4.49Å; T72-E79 HydrophobicContact CG2-CG 3.78Å
80F85.8Confident85.5Confident8 Ų866.5 Ų66.54%0.03536%0.361CS..PPolyproline II helixtrans-70.4140.4167.3-58.9-55.4000109.9A69 E71 C73 I87 R94 H96A69-F80 CarbonylContact C-O 3.52Å; A69-F80 PolarHBondContact N-O 3.46Å; A69-F80 VanDerWaalsContact N-O 3.13Å; E71-F80 HydrophobicContact CB-CD2 3.96Å; E71-F80 HydrophobicContact CB-CE2 4.09Å; E71-F80 WeakPolarHBondContact O-CD2 3.14Å; E71-F80 PolarHBondContact O-N 3.06Å; C73-F80 HydrophobicContact CB-CE1 3.69Å; C73-F80 HydrophobicContact CB-CZ 3.89Å; F80-I87 HydrophobicContact CD1-CD1 3.17Å; F80-I87 HydrophobicContact CD1-CG1 3.9Å; F80-I87 HydrophobicContact CD1-CG2 4.35Å; F80-I87 HydrophobicContact CE1-CD1 3.47Å; F80-I87 VanDerWaalsContact CE1-CD1 3.47Å; F80-I87 HydrophobicContact CE1-CG1 4.23Å; F80-I87 HydrophobicContact CE1-CG2 3.95Å; F80-I87 HydrophobicContact CE2-CG2 4.31Å; F80-I87 HydrophobicContact CG-CD1 4Å; F80-I87 HydrophobicContact CG-CG1 4.27Å; F80-I87 HydrophobicContact CZ-CD1 4.48Å; F80-I87 HydrophobicContact CZ-CG2 3.94Å; F80-R94 HydrophobicContact CE2-CB 3.48Å; F80-R94 VanDerWaalsContact CE2-CB 3.48Å; F80-R94 HydrophobicContact CE2-CG 4.46Å; F80-R94 HydrophobicContact CZ-CB 3.52Å; F80-H96 AromaticContact CD1-CD2 3.78Å; F80-H96 AromaticContact CD1-NE2 3.46Å; F80-H96 WeakPolarHBondContact CD1-NE2 3.3Å; F80-H96 AromaticContact CE1-CD2 3.87Å; F80-H96 AromaticContact CE1-NE2 3.77Å
81T82.4Confident86.4Confident33 Ų3364.3 Ų64.320%0.20235%0.345CS..  trans-119.1155.5177.266.30000108.7L83 D84T81-L83 PolarHBondContact O-N 3.32Å; T81-L83 PolarHBondContact OG1-N 2.96Å; T81-D84 PolarHBondContact N-OD2 3.49Å; T81-D84 WeakPolarHBondContact O-CB 3.34Å; T81-D84 PolarHBondContact O-N 3.45Å; T81-D84 PolarHBondContact OG1-OD2 2.87Å
82P78.4Confident86.5Confident69 Ų6962 Ų6245%0.44835%0.352SS..THydrogen-bonded Turntrans-56.9-15.3170.7-28.438.3000114.2Y37 E66Y37-P82 HydrophobicContact CD2-CB 4.27Å; Y37-P82 HydrophobicContact CE2-CB 3.66Å; Y37-P82 HydrophobicContact CE2-CG 4.4Å; E66-P82 WeakPolarHBondContact O-CG 3.3Å
83L80.2Confident86.4Confident13 Ų1361.1 Ų61.17%0.06835%0.347CS..THydrogen-bonded Turntrans-82.5-14.2176.9-64.2157.5000113.6D36 Y37 Q55 V57 L67 T81 K85D36-L83 HydrophobicContact CB-CD2 3.92Å; D36-L83 WeakPolarHBondContact O-CD2 3.28Å; Y37-L83 VanDerWaalsContact CA-CD2 3.44Å; Y37-L83 HydrophobicContact CD2-CD2 4.12Å; Y37-L83 HydrophobicContact CD2-CG 4.34Å; Y37-L83 HydrophobicContact CG-CD2 4.35Å; Q55-L83 PolarHBondContact NE2-O 2.83Å; V57-L83 HydrophobicContact CG1-CD1 3.55Å; V57-L83 HydrophobicContact CG1-CD2 4.14Å; V57-L83 HydrophobicContact CG1-CG 4.48Å; L67-L83 HydrophobicContact CD1-CD1 4.14Å; L67-L83 HydrophobicContact CD2-CD1 3.67Å; L67-L83 HydrophobicContact CD2-CG 3.82Å; L67-L83 HydrophobicContact CG-CD1 4.44Å; T81-L83 PolarHBondContact O-N 3.32Å; T81-L83 PolarHBondContact OG1-N 2.96Å; L83-K85 PolarHBondContact O-N 2.85Å
84D83Confident86.3Confident40 Ų4065.5 Ų65.521%0.21436%0.363CS..  trans-68.995.7178-73.8-62.9000110.1T81 K86 I87 H96T81-D84 PolarHBondContact N-OD2 3.49Å; T81-D84 WeakPolarHBondContact O-CB 3.34Å; T81-D84 PolarHBondContact O-N 3.45Å; T81-D84 PolarHBondContact OG1-OD2 2.87Å; D84-K86 PolarHBondContact O-N 3.3Å; D84-I87 HydrophobicContact CB-CD1 3.47Å; D84-I87 VanDerWaalsContact CB-CD1 3.47Å; D84-I87 HydrophobicContact CB-CG1 4.18Å; D84-H96 VanDerWaalsContact CG-CD2 3.47Å; D84-H96 IonicContact OD1-CD2 2.83Å; D84-H96 PolarHBondContact OD1-CD2 3.36Å; D84-H96 IonicContact OD1-NE2 3.67Å; D84-H96 PolarHBondContact OD1-NE2 2.94Å; D84-H96 IonicContact OD2-CD2 2.61Å; D84-H96 IonicContact OD2-NE2 2.97Å
85K79.1Confident86.4Confident210 Ų21062.3 Ų62.391%0.91334%0.341SS*.SBendtrans-49.8-30.6-177.4-63.5-175.5179-1780113.2L83L83-K85 PolarHBondContact O-N 2.85Å
86K86.6Confident86.3Confident82 Ų8260.6 Ų60.636%0.35733%0.329SS..  trans-154.6116.8-176.4-169.4160.5-171.4159.80112.6D84 I88 Y97 E111D84-K86 PolarHBondContact O-N 3.3Å; K86-I88 HydrophobicContact CD-CD1 4.21Å; K86-I88 HydrophobicContact CG-CD1 3.87Å; K86-Y97 HydrophobicContact CB-CD2 4.43Å; K86-Y97 HydrophobicContact CB-CG 4.45Å; K86-Y97 HydrophobicContact CD-CD2 3.69Å; K86-Y97 HydrophobicContact CD-CE2 4.19Å; K86-Y97 HydrophobicContact CD-CG 4.45Å; K86-Y97 HydrophobicContact CG-CD2 4.03Å; K86-Y97 WeakPolarHBondContact O-CB 3.46Å; K86-Y97 PolarHBondContact O-N 3.15Å; K86-E111 WeakPolarHBondContact CE-OE2 3.35Å; K86-E111 IonicContact NZ-OE1 3.32Å; K86-E111 PolarHBondContact NZ-OE1 3.26Å; K86-E111 IonicContact NZ-OE2 3.53Å; K86-E111 PolarHBondContact NZ-OE2 3.03Å
87I88.4Confident86.1Confident41 Ų4161.7 Ų61.721%0.2133%0.327CS..EExtended strand (participates in β ladder)trans-103.7130.5170-56.3-49.3000108.6F80 D84 R94 F95F80-I87 HydrophobicContact CD1-CD1 3.17Å; F80-I87 HydrophobicContact CD1-CG1 3.9Å; F80-I87 HydrophobicContact CD1-CG2 4.35Å; F80-I87 HydrophobicContact CE1-CD1 3.47Å; F80-I87 VanDerWaalsContact CE1-CD1 3.47Å; F80-I87 HydrophobicContact CE1-CG1 4.23Å; F80-I87 HydrophobicContact CE1-CG2 3.95Å; F80-I87 HydrophobicContact CE2-CG2 4.31Å; F80-I87 HydrophobicContact CG-CD1 4Å; F80-I87 HydrophobicContact CG-CG1 4.27Å; F80-I87 HydrophobicContact CZ-CD1 4.48Å; F80-I87 HydrophobicContact CZ-CG2 3.94Å; D84-I87 HydrophobicContact CB-CD1 3.47Å; D84-I87 VanDerWaalsContact CB-CD1 3.47Å; D84-I87 HydrophobicContact CB-CG1 4.18Å; I87-R94 HydrophobicContact CG2-CB 4.06Å; I87-R94 HydrophobicContact CG2-CG 4.5Å; I87-F95 WeakPolarHBondContact CA-O 3.11Å
88I88.5Confident86.1Confident24 Ų2469.2 Ų69.212%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-105128.7178.7-55.8-62.6000108.2K86 I90 R94 F95 Y97 V100K86-I88 HydrophobicContact CD-CD1 4.21Å; K86-I88 HydrophobicContact CG-CD1 3.87Å; I88-I90 HydrophobicContact CG2-CD1 4.04Å; I88-I90 HydrophobicContact CG2-CG1 3.73Å; I88-R94 CarbonylContact O-C 3.6Å; I88-R94 WeakPolarHBondContact O-CA 3.34Å; I88-F95 PolarHBondContact N-O 3.25Å; I88-F95 PolarHBondContact O-N 3.49Å; I88-Y97 HydrophobicContact CD1-CD2 4.2Å; I88-Y97 HydrophobicContact CG1-CD2 4.23Å; I88-V100 HydrophobicContact CB-CG2 3.98Å; I88-V100 HydrophobicContact CG1-CG2 4.24Å; I88-V100 HydrophobicContact CG2-CG2 4.07Å
89T88.8Confident86.3Confident78 Ų7865.5 Ų65.548%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-107.1118.8173.4-52.30000109V93 R94T89-V93 CarbonylContact C-O 3.53Å; T89-V93 VanDerWaalsContact CA-O 3.31Å; T89-V93 WeakPolarHBondContact CA-O 3.4Å; T89-R94 HydrophobicContact CG2-CG 4.17Å
90I87.8Confident86.5Confident6 Ų660.2 Ų60.23%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-122116.3177.4-50.7175.8000107.3I88 G92 V93 F95 V100 W114 A121I88-I90 HydrophobicContact CG2-CD1 4.04Å; I88-I90 HydrophobicContact CG2-CG1 3.73Å; I90-G92 PolarHBondContact O-N 3.17Å; I90-V93 PolarHBondContact N-O 3.44Å; I90-V93 WeakPolarHBondContact O-CB 3.46Å; I90-V93 PolarHBondContact O-N 2.58Å; I90-F95 HydrophobicContact CB-CE2 4.18Å; I90-F95 HydrophobicContact CD1-CD2 4.43Å; I90-F95 HydrophobicContact CD1-CE2 4.49Å; I90-F95 HydrophobicContact CG1-CD2 4.4Å; I90-F95 HydrophobicContact CG1-CE2 4.43Å; I90-V100 HydrophobicContact CD1-CG1 3.61Å; I90-V100 HydrophobicContact CD1-CG2 4.12Å; I90-W114 HydrophobicContact CB-CH2 4.49Å; I90-W114 HydrophobicContact CD1-CD2 3.86Å; I90-W114 HydrophobicContact CD1-CE3 4.29Å; I90-W114 HydrophobicContact CD1-CG 4.13Å; I90-W114 HydrophobicContact CD1-CZ2 4.27Å; I90-W114 HydrophobicContact CG1-CD2 4.39Å; I90-W114 HydrophobicContact CG1-CH2 4.22Å; I90-W114 HydrophobicContact CG1-CZ2 3.93Å; I90-W114 HydrophobicContact CG2-CE3 4.02Å; I90-W114 HydrophobicContact CG2-CH2 3.83Å; I90-W114 HydrophobicContact CG2-CZ2 4.4Å; I90-W114 HydrophobicContact CG2-CZ3 3.61Å; I90-A121 HydrophobicContact CD1-CB 3.78Å; I90-A121 HydrophobicContact CG2-CB 4.02Å
91F87.7Confident86.9Confident91 Ų9164.5 Ų64.540%0.39932%0.316SS..THydrogen-bonded Turntrans53.938.8-179.7-55.5-60.3000114.1V93 G116 Q119F91-V93 PolarHBondContact O-N 2.96Å; F91-G116 VanDerWaalsContact CZ-CA 3.44Å; F91-Q119 HydrophobicContact CB-CB 4.48Å; F91-Q119 VanDerWaalsContact CB-OE1 3.28Å; F91-Q119 HydrophobicContact CG-CB 4.44Å
92G85.8Confident87.5Confident68 Ų6863 Ų6370%0.70131%0.307SS*.THydrogen-bonded Turntrans80.7-7.2-178.100000114.8I90I90-G92 PolarHBondContact O-N 3.17Å
93V86.9Confident88.2Confident56 Ų5662.6 Ų62.634%0.33931%0.309SS..EExtended strand (participates in β ladder)trans-94.3133.8177-172.60000109.6T74 T89 I90 F91 F95T74-V93 HydrophobicContact CG2-CG1 4.04Å; T74-V93 WeakPolarHBondContact OG1-CG1 3.29Å; T89-V93 CarbonylContact C-O 3.53Å; T89-V93 VanDerWaalsContact CA-O 3.31Å; T89-V93 WeakPolarHBondContact CA-O 3.4Å; I90-V93 PolarHBondContact N-O 3.44Å; I90-V93 WeakPolarHBondContact O-CB 3.46Å; I90-V93 PolarHBondContact O-N 2.58Å; F91-V93 PolarHBondContact O-N 2.96Å; V93-F95 HydrophobicContact CB-CE2 3.73Å; V93-F95 HydrophobicContact CB-CZ 3.88Å; V93-F95 HydrophobicContact CG1-CD2 4.48Å; V93-F95 HydrophobicContact CG1-CE1 4.04Å; V93-F95 HydrophobicContact CG1-CE2 3.59Å; V93-F95 HydrophobicContact CG1-CZ 3.33Å; V93-F95 WeakPolarHBondContact O-CD2 3.37Å; V93-F95 WeakPolarHBondContact O-CE2 3.27Å
94R89.4Confident88.7Confident92 Ų9265.4 Ų65.435%0.34732%0.324SS..EExtended strand (participates in β ladder)trans-103.3141.3-175.9-61.8-177.281172-2.9112.1E71 T74 F80 I87 I88 T89E71-R94 WeakPolarHBondContact OE2-CD 3.32Å; E71-R94 IonicContact OE2-CZ 3.38Å; E71-R94 IonicContact OE2-NE 3.35Å; E71-R94 IonicContact OE2-NH1 2.71Å; E71-R94 PolarHBondContact OE2-NH1 2.94Å; T74-R94 PolarHBondContact N-O 3.36Å; F80-R94 HydrophobicContact CE2-CB 3.48Å; F80-R94 VanDerWaalsContact CE2-CB 3.48Å; F80-R94 HydrophobicContact CE2-CG 4.46Å; F80-R94 HydrophobicContact CZ-CB 3.52Å; I87-R94 HydrophobicContact CG2-CB 4.06Å; I87-R94 HydrophobicContact CG2-CG 4.5Å; I88-R94 CarbonylContact O-C 3.6Å; I88-R94 WeakPolarHBondContact O-CA 3.34Å; T89-R94 HydrophobicContact CG2-CG 4.17Å
95F90.5Very high89.3Confident28 Ų2866.6 Ų66.612%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-137.5147.4-177.5-54.6-88.2000110.6T74 T75 I87 I88 I90 V93 C99 V100T74-F95 HydrophobicContact CG2-CE1 4.38Å; T75-F95 WeakPolarHBondContact OG1-CD1 3.46Å; T75-F95 WeakPolarHBondContact OG1-CE1 3.42Å; I87-F95 WeakPolarHBondContact CA-O 3.11Å; I88-F95 PolarHBondContact N-O 3.25Å; I88-F95 PolarHBondContact O-N 3.49Å; I90-F95 HydrophobicContact CB-CE2 4.18Å; I90-F95 HydrophobicContact CD1-CD2 4.43Å; I90-F95 HydrophobicContact CD1-CE2 4.49Å; I90-F95 HydrophobicContact CG1-CD2 4.4Å; I90-F95 HydrophobicContact CG1-CE2 4.43Å; V93-F95 HydrophobicContact CB-CE2 3.73Å; V93-F95 HydrophobicContact CB-CZ 3.88Å; V93-F95 HydrophobicContact CG1-CD2 4.48Å; V93-F95 HydrophobicContact CG1-CE1 4.04Å; V93-F95 HydrophobicContact CG1-CE2 3.59Å; V93-F95 HydrophobicContact CG1-CZ 3.33Å; V93-F95 WeakPolarHBondContact O-CD2 3.37Å; V93-F95 WeakPolarHBondContact O-CE2 3.27Å; F95-C99 HydrophobicContact CB-CB 4.4Å; F95-V100 HydrophobicContact CB-CG2 3.91Å; F95-V100 HydrophobicContact CG-CG2 4.33Å
96H89.5Confident90Very high20 Ų2061.7 Ų61.79%0.09332%0.319CS..EExtended strand (participates in β ladder)trans-58146156.6-60.6111.6000108.7C73 C76 F80 D84 R98 C99 V100C73-H96 VanDerWaalsContact CB-CE1 3.41Å; C73-H96 WeakPolarHBondContact CB-CE1 3.45Å; C73-H96 VanDerWaalsContact CB-ND1 3.26Å; C73-H96 WeakPolarHBondContact CB-ND1 3.46Å; C73-H96 PolarHBondContact SG-N 3.48Å; C73-H96 VanDerWaalsContact SG-N 3.36Å; C76-H96 PolarHBondContact SG-CE1 3.2Å; C76-H96 PolarHBondContact SG-ND1 2.9Å; F80-H96 AromaticContact CD1-CD2 3.78Å; F80-H96 AromaticContact CD1-NE2 3.46Å; F80-H96 WeakPolarHBondContact CD1-NE2 3.3Å; F80-H96 AromaticContact CE1-CD2 3.87Å; F80-H96 AromaticContact CE1-NE2 3.77Å; D84-H96 VanDerWaalsContact CG-CD2 3.47Å; D84-H96 IonicContact OD1-CD2 2.83Å; D84-H96 PolarHBondContact OD1-CD2 3.36Å; D84-H96 IonicContact OD1-NE2 3.67Å; D84-H96 PolarHBondContact OD1-NE2 2.94Å; D84-H96 IonicContact OD2-CD2 2.61Å; D84-H96 IonicContact OD2-NE2 2.97Å; H96-R98 PolarHBondContact O-N 3.48Å; H96-R98 VanDerWaalsContact O-N 3.11Å; H96-C99 HydrophobicContact CB-CB 3.83Å; H96-C99 WeakPolarHBondContact O-CA 3.47Å; H96-C99 VanDerWaalsContact O-CB 3.3Å; H96-C99 WeakPolarHBondContact O-CB 3.49Å; H96-C99 PolarHBondContact O-N 3.34Å; H96-V100 PolarHBondContact O-N 3.31Å
97Y87.1Confident90.3Very high75 Ų7559.7 Ų59.729%0.29432%0.318SS..G310 helixtrans-45.9-44.2175174.1-96000113.8K86 I88 C99 E111K86-Y97 HydrophobicContact CB-CD2 4.43Å; K86-Y97 HydrophobicContact CB-CG 4.45Å; K86-Y97 HydrophobicContact CD-CD2 3.69Å; K86-Y97 HydrophobicContact CD-CE2 4.19Å; K86-Y97 HydrophobicContact CD-CG 4.45Å; K86-Y97 HydrophobicContact CG-CD2 4.03Å; K86-Y97 WeakPolarHBondContact O-CB 3.46Å; K86-Y97 PolarHBondContact O-N 3.15Å; I88-Y97 HydrophobicContact CD1-CD2 4.2Å; I88-Y97 HydrophobicContact CG1-CD2 4.23Å; Y97-C99 VanDerWaalsContact C-N 3.28Å; Y97-C99 PolarHBondContact O-N 3.17Å; Y97-E111 HydrophobicContact CE2-CB 3.69Å; Y97-E111 HydrophobicContact CE2-CG 3.96Å
98R88.4Confident90.5Very high209 Ų20962.2 Ų62.279%0.78934%0.337SS*.G310 helixtrans-80.6-7.1179.7-61.3-174.3175.2179.1-2.3114.3H96H96-R98 PolarHBondContact O-N 3.48Å; H96-R98 VanDerWaalsContact O-N 3.11Å
99C91.5Very high90.6Very high17 Ų1761.5 Ų61.512%0.11533%0.334CS..G310 helixtrans-95.2-8.7-177.1-80.30000113.1C73 T75 F95 H96 Y97 R101C73-C99 WeakPolarHBondContact SG-CB 3.32Å; T75-C99 WeakPolarHBondContact CB-O 3.44Å; T75-C99 HydrophobicContact CG2-CB 4.26Å; T75-C99 WeakPolarHBondContact CG2-O 3.31Å; T75-C99 PolarHBondContact OG1-O 3.13Å; F95-C99 HydrophobicContact CB-CB 4.4Å; H96-C99 HydrophobicContact CB-CB 3.83Å; H96-C99 WeakPolarHBondContact O-CA 3.47Å; H96-C99 VanDerWaalsContact O-CB 3.3Å; H96-C99 WeakPolarHBondContact O-CB 3.49Å; H96-C99 PolarHBondContact O-N 3.34Å; Y97-C99 VanDerWaalsContact C-N 3.28Å; Y97-C99 PolarHBondContact O-N 3.17Å; C99-R101 PolarHBondContact O-N 3.19Å
100V91.6Very high90.2Very high5 Ų563.9 Ų63.93%0.0334%0.339CS..  trans-64.7121.9174.7-177.20000109.5I88 I90 F95 H96 V109I88-V100 HydrophobicContact CB-CG2 3.98Å; I88-V100 HydrophobicContact CG1-CG2 4.24Å; I88-V100 HydrophobicContact CG2-CG2 4.07Å; I90-V100 HydrophobicContact CD1-CG1 3.61Å; I90-V100 HydrophobicContact CD1-CG2 4.12Å; F95-V100 HydrophobicContact CB-CG2 3.91Å; F95-V100 HydrophobicContact CG-CG2 4.33Å; H96-V100 PolarHBondContact O-N 3.31Å; V100-V109 HydrophobicContact CG1-CB 4.39Å; V100-V109 PolarHBondContact O-N 3.07Å
101R93.4Very high89.4Confident98 Ų9867.1 Ų67.137%0.3735%0.354SS..BIsolated β-bridgetrans-129.3147.1179.6-65.3-177.7-173.8-80.9-3.3110.5T75 C99 A103 N106 A107T75-R101 HydrophobicContact CG2-CG 4.31Å; C99-R101 PolarHBondContact O-N 3.19Å; R101-A103 PolarHBondContact O-N 3.36Å; R101-N106 WeakPolarHBondContact CD-OD1 3.4Å; R101-N106 PolarHBondContact NH1-O 2.92Å; R101-A107 CarbonylContact C-O 3.55Å; R101-A107 WeakPolarHBondContact CA-O 3.14Å
102C94.4Very high88.9Confident2 Ų268.9 Ų68.91%0.01437%0.368CS..  trans-63.2126.4172.8177.20000109.8D104 C105 N106 A107 V109 A121 C123 C126C102-D104 PolarHBondContact O-N 2.95Å; C102-C105 WeakPolarHBondContact CB-SG 3.44Å; C102-C105 PolarHBondContact SG-SG 2.86Å; C102-N106 WeakPolarHBondContact O-CA 3.49Å; C102-N106 PolarHBondContact O-N 3.32Å; C102-A107 PolarHBondContact N-O 3.47Å; C102-V109 HydrophobicContact CB-CG2 3.97Å; C102-A121 CarbonylContact C-O 3.53Å; C102-A121 WeakPolarHBondContact CA-O 3.42Å; C102-C123 HydrophobicContact CB-CB 4.05Å; C102-C123 PolarHBondContact SG-N 2.87Å; C102-C126 VanDerWaalsContact SG-SG 3.67Å
103A92.7Very high88.9Confident59 Ų5970.5 Ų70.549%0.48836%0.357SS..THydrogen-bonded Turntrans-64.6-22.7-179.600000113.8R101 R120 A121 L122R101-A103 PolarHBondContact O-N 3.36Å; A103-R120 HydrophobicContact CB-CB 3.87Å; A103-R120 HydrophobicContact CB-CG 4.4Å; A103-A121 PolarHBondContact N-O 2.89Å; A103-L122 HydrophobicContact CB-CD2 3.93Å
104D92.5Very high89Confident72 Ų7271.4 Ų71.439%0.38535%0.354SS..THydrogen-bonded Turntrans-93.6-38.6-178.1-71.6-9.6000113.1C102 R120 L122 C126C102-D104 PolarHBondContact O-N 2.95Å; D104-R120 IonicContact OD1-CZ 2.72Å; D104-R120 IonicContact OD1-NH1 3.96Å; D104-R120 PolarHBondContact OD1-NH1 3.27Å; D104-R120 IonicContact OD1-NH2 3.12Å; D104-R120 PolarHBondContact OD1-NH2 3.34Å; D104-R120 IonicContact OD2-NH2 2.71Å; D104-L122 HydrophobicContact CB-CD2 3.97Å; D104-L122 VanDerWaalsContact CG-CD2 3.42Å; D104-L122 WeakPolarHBondContact OD2-CD2 3.33Å; D104-C126 HydrophobicContact CB-CB 4Å
105C94.5Very high89Confident65 Ų6570.2 Ų70.244%0.43935%0.353SS..THydrogen-bonded Turntrans-116.6-2.1-175.871.30000114.6C102 A107C102-C105 WeakPolarHBondContact CB-SG 3.44Å; C102-C105 PolarHBondContact SG-SG 2.86Å; C105-A107 PolarHBondContact O-N 3.23Å; C105-A107 VanDerWaalsContact SG-CB 3.52Å
106N93.9Very high88.9Confident108 Ų10870.3 Ų70.358%0.57836%0.361SS*.  trans58.47.9-178.1-15732.8000115.8R101 C102R101-N106 WeakPolarHBondContact CD-OD1 3.4Å; R101-N106 PolarHBondContact NH1-O 2.92Å; C102-N106 WeakPolarHBondContact O-CA 3.49Å; C102-N106 PolarHBondContact O-N 3.32Å
107A93.8Very high88.8Confident39 Ų3972.4 Ų72.432%0.32237%0.369SS..  trans-64140.1175.400000110.3R101 C102 C105 V109R101-A107 CarbonylContact C-O 3.55Å; R101-A107 WeakPolarHBondContact CA-O 3.14Å; C102-A107 PolarHBondContact N-O 3.47Å; C105-A107 PolarHBondContact O-N 3.23Å; C105-A107 VanDerWaalsContact SG-CB 3.52Å; A107-V109 WeakPolarHBondContact O-CG2 3.13Å
108P92.1Very high88.7Confident95 Ų9576.5 Ų76.562%0.61739%0.388SS*.BIsolated β-bridgetrans-60.8138.9171.327.9-33.5000109.5
109V90Very high88.7Confident9 Ų973.3 Ų73.36%0.05538%0.383CS..  trans-121.2126.8-179.8-169.30000108.3V100 C102 A107 E113 W114 C123V100-V109 HydrophobicContact CG1-CB 4.39Å; V100-V109 PolarHBondContact O-N 3.07Å; C102-V109 HydrophobicContact CB-CG2 3.97Å; A107-V109 WeakPolarHBondContact O-CG2 3.13Å; V109-E113 HydrophobicContact CG1-CB 3.61Å; V109-W114 HydrophobicContact CB-CB 4.31Å; V109-W114 HydrophobicContact CG1-CB 3.64Å; V109-W114 VanDerWaalsContact CG1-N 3.28Å; V109-C123 HydrophobicContact CG2-CB 4Å
110Q80.4Confident88.5Confident127 Ų12776.9 Ų76.959%0.59339%0.394SS*.  trans-76.4175.8-178.3-54.2-168.1-5.100111.6N112 E113Q110-N112 PolarHBondContact O-N 3.48Å; Q110-E113 HydrophobicContact CB-CG 4.13Å; Q110-E113 VanDerWaalsContact CB-OE2 3.27Å; Q110-E113 WeakPolarHBondContact CB-OE2 3.3Å; Q110-E113 WeakPolarHBondContact CG-OE2 3.43Å; Q110-E113 PolarHBondContact N-OE2 2.85Å; Q110-E113 PolarHBondContact O-N 3.19Å
111E71.9Confident88.5Confident74 Ų7477.2 Ų77.235%0.34640%0.397SS..THydrogen-bonded Turntrans-51.3133173.1-146.8178147.900111.6K86 Y97 E113K86-E111 WeakPolarHBondContact CE-OE2 3.35Å; K86-E111 IonicContact NZ-OE1 3.32Å; K86-E111 PolarHBondContact NZ-OE1 3.26Å; K86-E111 IonicContact NZ-OE2 3.53Å; K86-E111 PolarHBondContact NZ-OE2 3.03Å; Y97-E111 HydrophobicContact CE2-CB 3.69Å; Y97-E111 HydrophobicContact CE2-CG 3.96Å; E111-E113 PolarHBondContact O-N 2.77Å
112N75.9Confident88.5Confident129 Ų12972.6 Ų72.669%0.6938%0.379SS*.THydrogen-bonded Turntrans63.36176.2-48.4-42.3000115.1Q110Q110-N112 PolarHBondContact O-N 3.48Å
113E86Confident88.4Confident102 Ų10273.5 Ų73.548%0.47739%0.385SS..THydrogen-bonded Turntrans-95.7-12.5175.4-64.3-167.5138.300113.5V109 Q110 E111V109-E113 HydrophobicContact CG1-CB 3.61Å; Q110-E113 HydrophobicContact CB-CG 4.13Å; Q110-E113 VanDerWaalsContact CB-OE2 3.27Å; Q110-E113 WeakPolarHBondContact CB-OE2 3.3Å; Q110-E113 WeakPolarHBondContact CG-OE2 3.43Å; Q110-E113 PolarHBondContact N-OE2 2.85Å; Q110-E113 PolarHBondContact O-N 3.19Å; E111-E113 PolarHBondContact O-N 2.77Å
114W89.3Confident88.4Confident74 Ų7477.4 Ų77.428%0.2839%0.392SS..EExtended strand (participates in β ladder)trans-83.2148.3177.266.5-92.5000110.9I90 V109 A121 L122I90-W114 HydrophobicContact CB-CH2 4.49Å; I90-W114 HydrophobicContact CD1-CD2 3.86Å; I90-W114 HydrophobicContact CD1-CE3 4.29Å; I90-W114 HydrophobicContact CD1-CG 4.13Å; I90-W114 HydrophobicContact CD1-CZ2 4.27Å; I90-W114 HydrophobicContact CG1-CD2 4.39Å; I90-W114 HydrophobicContact CG1-CH2 4.22Å; I90-W114 HydrophobicContact CG1-CZ2 3.93Å; I90-W114 HydrophobicContact CG2-CE3 4.02Å; I90-W114 HydrophobicContact CG2-CH2 3.83Å; I90-W114 HydrophobicContact CG2-CZ2 4.4Å; I90-W114 HydrophobicContact CG2-CZ3 3.61Å; V109-W114 HydrophobicContact CB-CB 4.31Å; V109-W114 HydrophobicContact CG1-CB 3.64Å; V109-W114 VanDerWaalsContact CG1-N 3.28Å; W114-A121 HydrophobicContact CB-CB 4.49Å; W114-A121 HydrophobicContact CE3-CB 4.39Å; W114-L122 CarbonylContact C-O 3.54Å; W114-L122 VanDerWaalsContact CA-O 3.3Å; W114-L122 WeakPolarHBondContact CA-O 3.41Å
115Q90.4Very high88.3Confident68 Ų6881.1 Ų81.132%0.31841%0.407SS..EExtended strand (participates in β ladder)trans-122136.1177-59.7-62.4-43.100108.7L122 Y127Q115-L122 PolarHBondContact N-O 2.8Å; Q115-L122 PolarHBondContact O-N 2.96Å; Q115-Y127 HydrophobicContact CB-CD1 3.84Å; Q115-Y127 HydrophobicContact CB-CD2 3.35Å; Q115-Y127 HydrophobicContact CB-CE1 4.37Å; Q115-Y127 HydrophobicContact CB-CE2 3.95Å; Q115-Y127 HydrophobicContact CB-CG 3.27Å; Q115-Y127 HydrophobicContact CG-CD1 3.8Å; Q115-Y127 HydrophobicContact CG-CD2 4.25Å; Q115-Y127 HydrophobicContact CG-CE1 4.43Å; Q115-Y127 HydrophobicContact CG-CG 3.67Å
116G87.5Confident88.2Confident29 Ų2978.6 Ų78.630%0.29939%0.39SS..EExtended strand (participates in β ladder)trans-84.3125.4178.700000112.2F91 Y127F91-G116 VanDerWaalsContact CZ-CA 3.44Å; G116-Y127 WeakPolarHBondContact O-CE2 3.01Å
117Y87.4Confident88.2Confident65 Ų6575.6 Ų75.626%0.25537%0.37SS..EExtended strand (participates in β ladder)trans-144.8121.4172.6-174.4-95.3000111.6Q119 R120 L122 Y127 V130Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.35Å; Y117-R120 PolarHBondContact N-O 2.82Å; Y117-R120 WeakPolarHBondContact O-CB 3.37Å; Y117-R120 PolarHBondContact O-N 2.71Å; Y117-L122 HydrophobicContact CD1-CD1 4.46Å; Y117-L122 HydrophobicContact CG-CD1 4.45Å; Y117-Y127 HydrophobicContact CD2-CE2 4.24Å; Y117-V130 HydrophobicContact CD1-CB 4.07Å; Y117-V130 HydrophobicContact CD1-CG2 3.6Å; Y117-V130 HydrophobicContact CD2-CG2 3.95Å; Y117-V130 HydrophobicContact CE1-CB 3.87Å; Y117-V130 HydrophobicContact CE1-CG2 3.88Å; Y117-V130 HydrophobicContact CE2-CG2 4.21Å; Y117-V130 HydrophobicContact CG-CG2 3.64Å; Y117-V130 PolarHBondContact OH-O 3.5Å
118K86.3Confident87.9Confident161 Ų16178.1 Ų78.170%0.738%0.375SS*.THydrogen-bonded Turntrans46.252.4-179.1-64.6-173.9179.2-178.40113.1R120K118-R120 PolarHBondContact O-N 2.6Å
119Q86.8Confident87.6Confident142 Ų14281 Ų8166%0.66438%0.378SS*.THydrogen-bonded Turntrans61.722.1-177.4-50.6-68.330.200115.3F91 Y117F91-Q119 HydrophobicContact CB-CB 4.48Å; F91-Q119 VanDerWaalsContact CB-OE1 3.28Å; F91-Q119 HydrophobicContact CG-CB 4.44Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.35Å
120R88.2Confident87.4Confident92 Ų9282.4 Ų82.435%0.34739%0.387SS..EExtended strand (participates in β ladder)trans-122.3140176.5-55.8-176.6-58.61479.5110.7A103 D104 Y117 K118A103-R120 HydrophobicContact CB-CB 3.87Å; A103-R120 HydrophobicContact CB-CG 4.4Å; D104-R120 IonicContact OD1-CZ 2.72Å; D104-R120 IonicContact OD1-NH1 3.96Å; D104-R120 PolarHBondContact OD1-NH1 3.27Å; D104-R120 IonicContact OD1-NH2 3.12Å; D104-R120 PolarHBondContact OD1-NH2 3.34Å; D104-R120 IonicContact OD2-NH2 2.71Å; Y117-R120 PolarHBondContact N-O 2.82Å; Y117-R120 WeakPolarHBondContact O-CB 3.37Å; Y117-R120 PolarHBondContact O-N 2.71Å; K118-R120 PolarHBondContact O-N 2.6Å
121A90.9Very high87.6Confident12 Ų1282.3 Ų82.310%0.09938%0.384CS..EExtended strand (participates in β ladder)trans-84.8123.8170.900000109.6I90 C102 A103 W114I90-A121 HydrophobicContact CD1-CB 3.78Å; I90-A121 HydrophobicContact CG2-CB 4.02Å; C102-A121 CarbonylContact C-O 3.53Å; C102-A121 WeakPolarHBondContact CA-O 3.42Å; A103-A121 PolarHBondContact N-O 2.89Å; W114-A121 HydrophobicContact CB-CB 4.49Å; W114-A121 HydrophobicContact CE3-CB 4.39Å
122L92.9Very high88.2Confident0 Ų080.1 Ų80.10%038%0.377CS..EExtended strand (participates in β ladder)trans-121.6148.8180-60.8-179.9000110.5A103 D104 W114 Q115 Y117 C126 V130A103-L122 HydrophobicContact CB-CD2 3.93Å; D104-L122 HydrophobicContact CB-CD2 3.97Å; D104-L122 VanDerWaalsContact CG-CD2 3.42Å; D104-L122 WeakPolarHBondContact OD2-CD2 3.33Å; W114-L122 CarbonylContact C-O 3.54Å; W114-L122 VanDerWaalsContact CA-O 3.3Å; W114-L122 WeakPolarHBondContact CA-O 3.41Å; Q115-L122 PolarHBondContact N-O 2.8Å; Q115-L122 PolarHBondContact O-N 2.96Å; Y117-L122 HydrophobicContact CD1-CD1 4.46Å; Y117-L122 HydrophobicContact CG-CD1 4.45Å; L122-C126 HydrophobicContact CB-CB 4.22Å; L122-C126 HydrophobicContact CD2-CB 4.43Å; L122-V130 HydrophobicContact CD1-CG1 4.34Å; L122-V130 HydrophobicContact CD1-CG2 3.45Å; L122-V130 VanDerWaalsContact CD1-CG2 3.45Å
123C94Very high88.7Confident21 Ų2177.1 Ų77.114%0.14236%0.363CS..EExtended strand (participates in β ladder)trans-68.4158.5164.8720000109.8C102 V109 Q125 C126 Y127C102-C123 HydrophobicContact CB-CB 4.05Å; C102-C123 PolarHBondContact SG-N 2.87Å; V109-C123 HydrophobicContact CG2-CB 4Å; C123-Q125 VanDerWaalsContact C-N 3.25Å; C123-Q125 PolarHBondContact O-N 3.38Å; C123-Q125 VanDerWaalsContact O-N 3.15Å; C123-C126 PolarHBondContact O-N 3.2Å; C123-C126 VanDerWaalsContact O-N 3.07Å; C123-C126 PolarHBondContact SG-N 3.22Å; C123-C126 VanDerWaalsContact SG-SG 3.66Å; C123-Y127 WeakPolarHBondContact O-CB 3.46Å; C123-Y127 PolarHBondContact O-N 2.65Å
124K91.7Very high88.9Confident142 Ų14274.7 Ų74.762%0.61736%0.356SS*.Hα-helixtrans-46.9-46.5178.2-172.9177.6-178.9177.80113.1C126 Y127 E128K124-C126 PolarHBondContact O-N 3.34Å; K124-Y127 PolarHBondContact O-N 3.04Å; K124-E128 WeakPolarHBondContact O-CG 2.86Å; K124-E128 PolarHBondContact O-N 2.86Å
125Q91.3Very high89Confident150 Ų15071.1 Ų71.170%0.70134%0.343SS*.Hα-helixtrans-63.8-42.2-179-65.4-178.9-5.800113.4C123 K129C123-Q125 VanDerWaalsContact C-N 3.25Å; C123-Q125 PolarHBondContact O-N 3.38Å; C123-Q125 VanDerWaalsContact O-N 3.15Å; Q125-K129 WeakPolarHBondContact O-CG 3.46Å; Q125-K129 PolarHBondContact O-N 2.97Å
126C92.6Very high89.2Confident12 Ų1269 Ų698%0.08134%0.335CS..Hα-helixtrans-71.7-37.7176.9-73.20000111.3C102 D104 L122 C123 K124 K129 V130C102-C126 VanDerWaalsContact SG-SG 3.67Å; D104-C126 HydrophobicContact CB-CB 4Å; L122-C126 HydrophobicContact CB-CB 4.22Å; L122-C126 HydrophobicContact CD2-CB 4.43Å; C123-C126 PolarHBondContact O-N 3.2Å; C123-C126 VanDerWaalsContact O-N 3.07Å; C123-C126 PolarHBondContact SG-N 3.22Å; C123-C126 VanDerWaalsContact SG-SG 3.66Å; K124-C126 PolarHBondContact O-N 3.34Å; C126-K129 WeakPolarHBondContact O-CB 3.41Å; C126-K129 PolarHBondContact O-N 3.23Å; C126-V130 PolarHBondContact O-N 3.11Å; C126-V130 VanDerWaalsContact O-N 3.13Å
127Y92.3Very high89.4Confident45 Ų4570.3 Ų70.318%0.17633%0.332CS..Hα-helixtrans-59.3-47.2174.9-178.8-103.4000112.4Q115 G116 Y117 C123 K124 K129 V130 K131Q115-Y127 HydrophobicContact CB-CD1 3.84Å; Q115-Y127 HydrophobicContact CB-CD2 3.35Å; Q115-Y127 HydrophobicContact CB-CE1 4.37Å; Q115-Y127 HydrophobicContact CB-CE2 3.95Å; Q115-Y127 HydrophobicContact CB-CG 3.27Å; Q115-Y127 HydrophobicContact CG-CD1 3.8Å; Q115-Y127 HydrophobicContact CG-CD2 4.25Å; Q115-Y127 HydrophobicContact CG-CE1 4.43Å; Q115-Y127 HydrophobicContact CG-CG 3.67Å; G116-Y127 WeakPolarHBondContact O-CE2 3.01Å; Y117-Y127 HydrophobicContact CD2-CE2 4.24Å; C123-Y127 WeakPolarHBondContact O-CB 3.46Å; C123-Y127 PolarHBondContact O-N 2.65Å; K124-Y127 PolarHBondContact O-N 3.04Å; Y127-K129 VanDerWaalsContact C-N 3.25Å; Y127-K129 PolarHBondContact O-N 3.48Å; Y127-V130 VanDerWaalsContact O-CG2 3.29Å; Y127-V130 WeakPolarHBondContact O-CG2 3.22Å; Y127-V130 PolarHBondContact O-N 3.06Å; Y127-K131 HydrophobicContact CE1-CB 4.29Å; Y127-K131 HydrophobicContact CE1-CD 3.68Å; Y127-K131 WeakPolarHBondContact O-CB 3.44Å; Y127-K131 PolarHBondContact O-N 2.82Å
128E88.2Confident89.7Confident91 Ų9169.8 Ų69.843%0.42534%0.337SS..Hα-helixtrans-56.8-41.6175.9-71.4-60.3156.800111.1K124 V130 S132K124-E128 WeakPolarHBondContact O-CG 2.86Å; K124-E128 PolarHBondContact O-N 2.86Å; E128-V130 PolarHBondContact O-N 2.83Å; E128-S132 WeakPolarHBondContact O-CB 3.41Å; E128-S132 PolarHBondContact O-N 3.44Å; E128-S132 PolarHBondContact O-OG 2.81Å
129K85.8Confident89.9Confident155 Ų15570.4 Ų70.467%0.67434%0.335SS*.Hα-helixtrans-63.2-39.5178.2-68.9174.3-175.1-179.40113.5Q125 C126 Y127Q125-K129 WeakPolarHBondContact O-CG 3.46Å; Q125-K129 PolarHBondContact O-N 2.97Å; C126-K129 WeakPolarHBondContact O-CB 3.41Å; C126-K129 PolarHBondContact O-N 3.23Å; Y127-K129 VanDerWaalsContact C-N 3.25Å; Y127-K129 PolarHBondContact O-N 3.48Å
130V86.3Confident90Very high39 Ų3967.7 Ų67.724%0.23633%0.328CS..Hα-helixtrans-86.3-26.6-177.4-59.80000113.6Y117 L122 C126 Y127 E128Y117-V130 HydrophobicContact CD1-CB 4.07Å; Y117-V130 HydrophobicContact CD1-CG2 3.6Å; Y117-V130 HydrophobicContact CD2-CG2 3.95Å; Y117-V130 HydrophobicContact CE1-CB 3.87Å; Y117-V130 HydrophobicContact CE1-CG2 3.88Å; Y117-V130 HydrophobicContact CE2-CG2 4.21Å; Y117-V130 HydrophobicContact CG-CG2 3.64Å; Y117-V130 PolarHBondContact OH-O 3.5Å; L122-V130 HydrophobicContact CD1-CG1 4.34Å; L122-V130 HydrophobicContact CD1-CG2 3.45Å; L122-V130 VanDerWaalsContact CD1-CG2 3.45Å; C126-V130 PolarHBondContact O-N 3.11Å; C126-V130 VanDerWaalsContact O-N 3.13Å; Y127-V130 VanDerWaalsContact O-CG2 3.29Å; Y127-V130 WeakPolarHBondContact O-CG2 3.22Å; Y127-V130 PolarHBondContact O-N 3.06Å; E128-V130 PolarHBondContact O-N 2.83Å
131K84.5Confident90Very high125 Ų12567 Ų6754%0.54333%0.331SS..Hα-helixtrans-75.5-33.3172.8-176.6-177.1175.9-174.70111Y127 V133Y127-K131 HydrophobicContact CE1-CB 4.29Å; Y127-K131 HydrophobicContact CE1-CD 3.68Å; Y127-K131 WeakPolarHBondContact O-CB 3.44Å; Y127-K131 PolarHBondContact O-N 2.82Å; K131-V133 PolarHBondContact O-N 2.92Å
132S84Confident89.8Confident28 Ų2867.4 Ų67.420%0.19633%0.331CS..  trans-60.7133.8179.5-72.80000112.2E128 P134 I141E128-S132 WeakPolarHBondContact O-CB 3.41Å; E128-S132 PolarHBondContact O-N 3.44Å; E128-S132 PolarHBondContact O-OG 2.81Å; S132-P134 WeakPolarHBondContact O-CD 3.26Å; S132-I141 VanDerWaalsContact OG-CG2 3.25Å; S132-I141 WeakPolarHBondContact OG-CG2 3.12Å
133V86.3Confident89.1Confident66 Ų6676.7 Ų76.740%0.437%0.372SS..EExtended strand (participates in β ladder)trans-95.7109.5170.2-177.30000107.8K131 L142 V155K131-V133 PolarHBondContact O-N 2.92Å; V133-L142 HydrophobicContact CG1-CD1 4.15Å; V133-L142 VanDerWaalsContact O-CB 3.29Å; V133-L142 WeakPolarHBondContact O-CB 3.19Å; V133-L142 WeakPolarHBondContact O-CG 3.38Å; V133-L142 PolarHBondContact O-N 2.96Å; V133-V155 HydrophobicContact CG1-CB 3.77Å; V133-V155 HydrophobicContact CG1-CG1 4.46Å; V133-V155 HydrophobicContact CG1-CG2 3.72Å
134P89.8Confident88.1Confident51 Ų5181.2 Ų81.233%0.33139%0.391SS..EExtended strand (participates in β ladder)trans-78.4144.1175.731-33.5000110.8S132 V136 I141S132-P134 WeakPolarHBondContact O-CD 3.26Å; P134-V136 PolarHBondContact O-N 2.7Å; P134-I141 HydrophobicContact CB-CD1 4.03Å
135C92.5Very high87.1Confident0 Ų082.6 Ų82.60%040%0.399CS..  trans-58.3127.5166.4174.30000109.9K137 C138 R139 T140 L142 V155 C157C135-K137 PolarHBondContact O-N 2.92Å; C135-K137 PolarHBondContact SG-N 3.33Å; C135-K137 VanDerWaalsContact SG-N 3.44Å; C135-C138 VanDerWaalsContact CB-SG 3.5Å; C135-C138 PolarHBondContact SG-N 3.13Å; C135-R139 WeakPolarHBondContact O-CA 3.32Å; C135-R139 PolarHBondContact O-N 2.81Å; C135-T140 PolarHBondContact N-O 3.1Å; C135-L142 HydrophobicContact CB-CD2 4.03Å; C135-V155 CarbonylContact C-O 3.5Å; C135-V155 VanDerWaalsContact CA-O 3.3Å; C135-V155 WeakPolarHBondContact CA-O 3.39Å; C135-C157 HydrophobicContact CB-CB 4.23Å; C135-C157 PolarHBondContact SG-N 3.35Å; C135-C157 VanDerWaalsContact SG-N 3.38Å
136V93.1Very high86Confident23 Ų2384.7 Ų84.714%0.13941%0.409CS..THydrogen-bonded Turntrans-62.4-31.1-179.7-63.80000112.9P134 V153 V155 I156 E181P134-V136 PolarHBondContact O-N 2.7Å; V136-V153 HydrophobicContact CG2-CG2 4.3Å; V136-V155 PolarHBondContact N-O 3.41Å; V136-I156 HydrophobicContact CG2-CG2 3.3Å; V136-E181 HydrophobicContact CG2-CB 4.32Å
137K92.4Very high85.2Confident56 Ų5689.5 Ų89.524%0.24343%0.43CS..THydrogen-bonded Turntrans-80.3-56.4178.2-70.8-166.5-174.7173.30114C135 I156 C160 E181C135-K137 PolarHBondContact O-N 2.92Å; C135-K137 PolarHBondContact SG-N 3.33Å; C135-K137 VanDerWaalsContact SG-N 3.44Å; K137-I156 HydrophobicContact CG-CG2 4.13Å; K137-C160 HydrophobicContact CB-CB 4.16Å; K137-C160 HydrophobicContact CD-CB 4.06Å; K137-C160 PolarHBondContact NZ-O 2.83Å; K137-C160 VanDerWaalsContact NZ-O 3.16Å; K137-E181 WeakPolarHBondContact CE-O 3.48Å
138C93.1Very high84.9Confident54 Ų5488.8 Ų88.837%0.36543%0.43SS..THydrogen-bonded Turntrans-103.4-2.1-171.970.60000114.5C135 T140C135-C138 VanDerWaalsContact CB-SG 3.5Å; C135-C138 PolarHBondContact SG-N 3.13Å; C138-T140 PolarHBondContact O-N 3.42Å; C138-T140 VanDerWaalsContact SG-CB 3.58Å; C138-T140 PolarHBondContact SG-OG1 3.36Å; C138-T140 VanDerWaalsContact SG-OG1 3.32Å
139R91.7Very high85Confident174 Ų17485.4 Ų85.466%0.65741%0.414SS*.  trans59.36.7-178.2-53.9-61.4-176.4167.4-2115.7C135 I141C135-R139 WeakPolarHBondContact O-CA 3.32Å; C135-R139 PolarHBondContact O-N 2.81Å; R139-I141 PolarHBondContact O-N 2.86Å
140T89.1Confident85.2Confident85 Ų8583.5 Ų83.552%0.52142%0.415SS..PPolyproline II helixtrans-65.5134173.4-58.30000109.5C135 C138 L142C135-T140 PolarHBondContact N-O 3.1Å; C138-T140 PolarHBondContact O-N 3.42Å; C138-T140 VanDerWaalsContact SG-CB 3.58Å; C138-T140 PolarHBondContact SG-OG1 3.36Å; C138-T140 VanDerWaalsContact SG-OG1 3.32Å; T140-L142 PolarHBondContact O-N 3.2Å
141I87.3Confident85.4Confident78 Ų7882.1 Ų82.140%0.441%0.407SS..EExtended strand (participates in β ladder)trans-66.5123.7176.2-61.3-41.6000109.7S132 P134 R139 K143S132-I141 VanDerWaalsContact OG-CG2 3.25Å; S132-I141 WeakPolarHBondContact OG-CG2 3.12Å; P134-I141 HydrophobicContact CB-CD1 4.03Å; R139-I141 PolarHBondContact O-N 2.86Å; I141-K143 PolarHBondContact O-N 2.96Å
142L87.7Confident85.6Confident21 Ų2184.9 Ų84.911%0.1142%0.422CS..EExtended strand (participates in β ladder)trans-81117.5177.6-53.4176.1000108.8V133 C135 T140 N148 V155 C157V133-L142 HydrophobicContact CG1-CD1 4.15Å; V133-L142 VanDerWaalsContact O-CB 3.29Å; V133-L142 WeakPolarHBondContact O-CB 3.19Å; V133-L142 WeakPolarHBondContact O-CG 3.38Å; V133-L142 PolarHBondContact O-N 2.96Å; C135-L142 HydrophobicContact CB-CD2 4.03Å; T140-L142 PolarHBondContact O-N 3.2Å; L142-N148 WeakPolarHBondContact CB-ND2 3.27Å; L142-N148 WeakPolarHBondContact CB-OD1 3.46Å; L142-N148 HydrophobicContact CD1-CB 4.22Å; L142-V155 HydrophobicContact CD1-CB 3.82Å; L142-V155 HydrophobicContact CD1-CG1 3.36Å; L142-C157 HydrophobicContact CD2-CB 3.37Å
143K77.1Confident85.9Confident194 Ų19487 Ų8784%0.84343%0.433SS*.  trans-89.1-33.1-177.8-65.4-177.6179.9179.60113.2I141I141-K143 PolarHBondContact O-N 2.96Å
144E72.6Confident86.1Confident117 Ų11785.1 Ų85.155%0.54743%0.427SS..  trans-116.3117-172.4-68.3173-160.400108.8E146 N148E144-E146 VanDerWaalsContact C-N 3.31Å; E144-E146 PolarHBondContact O-N 3.05Å; E144-N148 PolarHBondContact O-ND2 2.73Å; E144-N148 PolarHBondContact O-OD1 3.41Å
145E71.4Confident86.3Confident171 Ų17184 Ų8480%0.79942%0.419SS*.G310 helixtrans-67-33.8-178.8-67.1-179.6-175.400112.1Q147 N148E145-Q147 VanDerWaalsContact C-N 3.25Å; E145-Q147 PolarHBondContact O-N 2.85Å; E145-Q147 VanDerWaalsContact O-N 3.15Å; E145-N148 WeakPolarHBondContact CA-ND2 3.19Å; E145-N148 WeakPolarHBondContact O-CB 3.47Å; E145-N148 PolarHBondContact O-N 3.3Å; E145-N148 VanDerWaalsContact O-N 3.15Å
146E68.4Low86.3Confident194 Ų19484 Ų8491%0.90742%0.419SS*.G310 helixtrans-62.9-24.3-171.6-65.5-179179.700114.7E144E144-E146 VanDerWaalsContact C-N 3.31Å; E144-E146 PolarHBondContact O-N 3.05Å
147Q76.4Confident86.3Confident112 Ų11283.5 Ų83.552%0.52342%0.416SS..G310 helixtrans-104.9-6.4-178.9-56.1-170.4-10.900113.2E145 P158E145-Q147 VanDerWaalsContact C-N 3.25Å; E145-Q147 PolarHBondContact O-N 2.85Å; E145-Q147 VanDerWaalsContact O-N 3.15Å; Q147-P158 HydrophobicContact CB-CG 3.62Å; Q147-P158 WeakPolarHBondContact O-CG 3.47Å
148N85.1Confident86.3Confident30 Ų3082.7 Ų82.716%0.1642%0.417CS..  trans-75.5139.9-175.4-68.2-26.3000111.3L142 E144 E145 V155L142-N148 WeakPolarHBondContact CB-ND2 3.27Å; L142-N148 WeakPolarHBondContact CB-OD1 3.46Å; L142-N148 HydrophobicContact CD1-CB 4.22Å; E144-N148 PolarHBondContact O-ND2 2.73Å; E144-N148 PolarHBondContact O-OD1 3.41Å; E145-N148 WeakPolarHBondContact CA-ND2 3.19Å; E145-N148 WeakPolarHBondContact O-CB 3.47Å; E145-N148 PolarHBondContact O-N 3.3Å; E145-N148 VanDerWaalsContact O-N 3.15Å; N148-V155 HydrophobicContact CB-CG1 3.53Å
149I89.7Confident86.3Confident20 Ų2086.2 Ų86.210%0.10343%0.432CS..EExtended strand (participates in β ladder)trans-100117.1178.2-49.7-60.3000108.8L151 V155 I156 F161 P172I149-L151 HydrophobicContact CG2-CD2 4.12Å; I149-L151 PolarHBondContact O-N 2.97Å; I149-V155 CarbonylContact O-C 3.55Å; I149-V155 WeakPolarHBondContact O-CA 3.05Å; I149-I156 HydrophobicContact CB-CD1 4.27Å; I149-I156 HydrophobicContact CB-CG1 3.72Å; I149-I156 HydrophobicContact CG1-CG1 4.45Å; I149-I156 HydrophobicContact CG2-CG1 4.33Å; I149-I156 PolarHBondContact N-O 2.73Å; I149-I156 PolarHBondContact O-N 2.97Å; I149-F161 HydrophobicContact CB-CD2 4.44Å; I149-F161 HydrophobicContact CB-CG 4.38Å; I149-F161 HydrophobicContact CD1-CD1 3.9Å; I149-F161 HydrophobicContact CD1-CE1 4.04Å; I149-F161 HydrophobicContact CD1-CG 4.4Å; I149-F161 HydrophobicContact CG1-CB 3.85Å; I149-F161 HydrophobicContact CG1-CD1 3.66Å; I149-F161 HydrophobicContact CG1-CD2 4.17Å; I149-F161 HydrophobicContact CG1-CE1 4.14Å; I149-F161 HydrophobicContact CG1-CG 3.65Å; I149-F161 HydrophobicContact CG2-CD2 4.03Å; I149-F161 HydrophobicContact CG2-CE2 3.96Å; I149-F161 HydrophobicContact CG2-CG 4.39Å; I149-F161 HydrophobicContact CG2-CZ 4.25Å; I149-P172 HydrophobicContact CD1-CB 4.38Å; I149-P172 HydrophobicContact CD1-CG 3.96Å
150V91Very high86.4Confident115 Ų11578.9 Ų78.970%0.69741%0.407SS*.EExtended strand (participates in β ladder)trans-82.9115176.6-175.20000109V155V150-V155 HydrophobicContact CG2-CG2 4.43Å
151L90.7Very high86.7Confident11 Ų1174.9 Ų74.96%0.05838%0.383CS..EExtended strand (participates in β ladder)trans-102.4166.7170.7-59.4-174.9000110I149 V153 G154 I156 F176 Q178 V183I149-L151 HydrophobicContact CG2-CD2 4.12Å; I149-L151 PolarHBondContact O-N 2.97Å; L151-V153 HydrophobicContact CB-CG2 4.3Å; L151-V153 PolarHBondContact O-N 3.01Å; L151-G154 CarbonylContact C-O 3.56Å; L151-G154 WeakPolarHBondContact CA-O 3.37Å; L151-G154 VanDerWaalsContact CB-O 3.28Å; L151-G154 WeakPolarHBondContact CB-O 2.96Å; L151-G154 PolarHBondContact N-O 2.71Å; L151-G154 PolarHBondContact O-N 3.13Å; L151-G154 VanDerWaalsContact O-O 3.04Å; L151-I156 HydrophobicContact CD1-CD1 3.88Å; L151-I156 HydrophobicContact CD1-CG1 4.18Å; L151-I156 HydrophobicContact CD1-CG2 3.88Å; L151-I156 HydrophobicContact CG-CD1 4.27Å; L151-I156 HydrophobicContact CG-CG1 4.27Å; L151-F176 HydrophobicContact CD2-CE2 3.83Å; L151-F176 HydrophobicContact CD2-CZ 4.27Å; L151-Q178 HydrophobicContact CD1-CG 4.38Å; L151-Q178 HydrophobicContact CD2-CG 4.37Å; L151-V183 HydrophobicContact CD1-CG2 3.82Å; L151-V183 HydrophobicContact CD2-CG2 4.17Å
152Q88.8Confident87.1Confident183 Ų18375.2 Ų75.286%0.85538%0.381SS*.THydrogen-bonded Turntrans-60.5-28.3175.6-64.3178.9-23.800113.4
153V89.9Confident87.6Confident73 Ų7374.2 Ų74.244%0.44238%0.376SS..THydrogen-bonded Turntrans-91.8-4.3-178.3-62.30000113.6V136 L151 N180 E181V136-V153 HydrophobicContact CG2-CG2 4.3Å; L151-V153 HydrophobicContact CB-CG2 4.3Å; L151-V153 PolarHBondContact O-N 3.01Å; V153-N180 VanDerWaalsContact CG2-O 3.3Å; V153-N180 WeakPolarHBondContact CG2-O 3.35Å; V153-E181 HydrophobicContact CG2-CB 4.19Å
154G91.4Very high88.4Confident25 Ų2567.8 Ų67.826%0.25835%0.352SS..EExtended strand (participates in β ladder)trans135.8-162.1-175.200000111.9L151L151-G154 CarbonylContact C-O 3.56Å; L151-G154 WeakPolarHBondContact CA-O 3.37Å; L151-G154 VanDerWaalsContact CB-O 3.28Å; L151-G154 WeakPolarHBondContact CB-O 2.96Å; L151-G154 PolarHBondContact N-O 2.71Å; L151-G154 PolarHBondContact O-N 3.13Å; L151-G154 VanDerWaalsContact O-O 3.04Å
155V92.5Very high89.5Confident27 Ų2767.6 Ų67.616%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-106.4140.1-170.7-168.30000110.5V133 C135 V136 L142 N148 I149 V150V133-V155 HydrophobicContact CG1-CB 3.77Å; V133-V155 HydrophobicContact CG1-CG1 4.46Å; V133-V155 HydrophobicContact CG1-CG2 3.72Å; C135-V155 CarbonylContact C-O 3.5Å; C135-V155 VanDerWaalsContact CA-O 3.3Å; C135-V155 WeakPolarHBondContact CA-O 3.39Å; V136-V155 PolarHBondContact N-O 3.41Å; L142-V155 HydrophobicContact CD1-CB 3.82Å; L142-V155 HydrophobicContact CD1-CG1 3.36Å; N148-V155 HydrophobicContact CB-CG1 3.53Å; I149-V155 CarbonylContact O-C 3.55Å; I149-V155 WeakPolarHBondContact O-CA 3.05Å; V150-V155 HydrophobicContact CG2-CG2 4.43Å
156I93.5Very high90.7Very high0 Ų062.5 Ų62.50%033%0.334CS..EExtended strand (participates in β ladder)trans-116.2150.9172.161.4172.4000111.7V136 K137 I149 L151 C160 F161 V183V136-I156 HydrophobicContact CG2-CG2 3.3Å; K137-I156 HydrophobicContact CG-CG2 4.13Å; I149-I156 HydrophobicContact CB-CD1 4.27Å; I149-I156 HydrophobicContact CB-CG1 3.72Å; I149-I156 HydrophobicContact CG1-CG1 4.45Å; I149-I156 HydrophobicContact CG2-CG1 4.33Å; I149-I156 PolarHBondContact N-O 2.73Å; I149-I156 PolarHBondContact O-N 2.97Å; L151-I156 HydrophobicContact CD1-CD1 3.88Å; L151-I156 HydrophobicContact CD1-CG1 4.18Å; L151-I156 HydrophobicContact CD1-CG2 3.88Å; L151-I156 HydrophobicContact CG-CD1 4.27Å; L151-I156 HydrophobicContact CG-CG1 4.27Å; I156-C160 HydrophobicContact CB-CB 4.24Å; I156-F161 HydrophobicContact CD1-CB 3.83Å; I156-F161 HydrophobicContact CD1-CD2 3.76Å; I156-F161 HydrophobicContact CD1-CG 4.22Å; I156-F161 HydrophobicContact CG1-CB 4.48Å; I156-V183 HydrophobicContact CD1-CG2 3.99Å
157C93.1Very high92.1Very high13 Ų1358.8 Ų58.89%0.08832%0.32CS..  trans-73.5158.7174.3710000111.3C135 L142 N159 C160 F161C135-C157 HydrophobicContact CB-CB 4.23Å; C135-C157 PolarHBondContact SG-N 3.35Å; C135-C157 VanDerWaalsContact SG-N 3.38Å; L142-C157 HydrophobicContact CD2-CB 3.37Å; C157-N159 PolarHBondContact O-N 3.17Å; C157-C160 PolarHBondContact O-N 3.18Å; C157-C160 VanDerWaalsContact SG-CB 3.53Å; C157-C160 PolarHBondContact SG-N 3.24Å; C157-C160 VanDerWaalsContact SG-N 3.37Å; C157-F161 PolarHBondContact O-N 3.43Å; C157-F161 VanDerWaalsContact O-N 3.17Å
158P91.5Very high93Very high40 Ų4059 Ų5926%0.2632%0.319SS..G310 helixtrans-48.5-44.9173.4-29.133.7000113.2Q147 C160 F161 Q169Q147-P158 HydrophobicContact CB-CG 3.62Å; Q147-P158 WeakPolarHBondContact O-CG 3.47Å; P158-C160 PolarHBondContact O-N 3.34Å; P158-F161 WeakPolarHBondContact O-CB 3.46Å; P158-F161 PolarHBondContact O-N 2.61Å; P158-F161 VanDerWaalsContact O-N 3.08Å; P158-Q169 PolarHBondContact O-NE2 3.39Å
159N92.6Very high93.5Very high128 Ų12862.1 Ų62.168%0.68433%0.333SS*.G310 helixtrans-65.5-24.4-178.7-63.6-22.5000113.7C157C157-N159 PolarHBondContact O-N 3.17Å
160C94.7Very high93.7Very high19 Ų1961.5 Ų61.513%0.12833%0.33CS..G310 helixtrans-91.8-11.5178.2-82.40000112.9K137 I156 C157 P158 K162K137-C160 HydrophobicContact CB-CB 4.16Å; K137-C160 HydrophobicContact CD-CB 4.06Å; K137-C160 PolarHBondContact NZ-O 2.83Å; K137-C160 VanDerWaalsContact NZ-O 3.16Å; I156-C160 HydrophobicContact CB-CB 4.24Å; C157-C160 PolarHBondContact O-N 3.18Å; C157-C160 VanDerWaalsContact SG-CB 3.53Å; C157-C160 PolarHBondContact SG-N 3.24Å; C157-C160 VanDerWaalsContact SG-N 3.37Å; P158-C160 PolarHBondContact O-N 3.34Å; C160-K162 PolarHBondContact O-N 2.97Å
161F95.1Very high93.7Very high2 Ų262.8 Ų62.81%0.00933%0.326CS..  trans-80.966.1176.4-172.3-134.4000111.6I149 I156 C157 P158 Q169 L170 K171 F176 V183I149-F161 HydrophobicContact CB-CD2 4.44Å; I149-F161 HydrophobicContact CB-CG 4.38Å; I149-F161 HydrophobicContact CD1-CD1 3.9Å; I149-F161 HydrophobicContact CD1-CE1 4.04Å; I149-F161 HydrophobicContact CD1-CG 4.4Å; I149-F161 HydrophobicContact CG1-CB 3.85Å; I149-F161 HydrophobicContact CG1-CD1 3.66Å; I149-F161 HydrophobicContact CG1-CD2 4.17Å; I149-F161 HydrophobicContact CG1-CE1 4.14Å; I149-F161 HydrophobicContact CG1-CG 3.65Å; I149-F161 HydrophobicContact CG2-CD2 4.03Å; I149-F161 HydrophobicContact CG2-CE2 3.96Å; I149-F161 HydrophobicContact CG2-CG 4.39Å; I149-F161 HydrophobicContact CG2-CZ 4.25Å; I156-F161 HydrophobicContact CD1-CB 3.83Å; I156-F161 HydrophobicContact CD1-CD2 3.76Å; I156-F161 HydrophobicContact CD1-CG 4.22Å; I156-F161 HydrophobicContact CG1-CB 4.48Å; C157-F161 PolarHBondContact O-N 3.43Å; C157-F161 VanDerWaalsContact O-N 3.17Å; P158-F161 WeakPolarHBondContact O-CB 3.46Å; P158-F161 PolarHBondContact O-N 2.61Å; P158-F161 VanDerWaalsContact O-N 3.08Å; F161-Q169 PolarHBondContact O-NE2 2.83Å; F161-L170 HydrophobicContact CD1-CB 3.76Å; F161-L170 WeakPolarHBondContact CD1-O 3.42Å; F161-L170 HydrophobicContact CD2-CB 4.29Å; F161-L170 HydrophobicContact CD2-CD1 4.38Å; F161-L170 HydrophobicContact CE1-CB 3.55Å; F161-L170 HydrophobicContact CE2-CB 4.11Å; F161-L170 HydrophobicContact CE2-CD1 4.06Å; F161-L170 HydrophobicContact CG-CB 4.15Å; F161-L170 HydrophobicContact CZ-CB 3.73Å; F161-L170 HydrophobicContact CZ-CD1 4.35Å; F161-L170 WeakPolarHBondContact O-CB 3.49Å; F161-L170 PolarHBondContact O-N 3.21Å; F161-K171 VanDerWaalsContact CE1-C 3.46Å; F161-K171 VanDerWaalsContact CE1-O 3.31Å; F161-K171 WeakPolarHBondContact CE1-O 3.27Å; F161-F176 HydrophobicContact CE2-CB 4.47Å; F161-F176 AromaticContact CE2-CD1 3.83Å; F161-F176 HydrophobicContact CE2-CD1 3.83Å; F161-F176 HydrophobicContact CE2-CD2 4.21Å; F161-F176 HydrophobicContact CE2-CE1 4.04Å; F161-F176 HydrophobicContact CE2-CE2 4.4Å; F161-F176 AromaticContact CE2-CG 3.92Å; F161-F176 HydrophobicContact CE2-CG 3.92Å; F161-F176 HydrophobicContact CE2-CZ 4.32Å; F161-F176 AromaticContact CZ-CD1 3.55Å; F161-F176 HydrophobicContact CZ-CD1 3.55Å; F161-F176 AromaticContact CZ-CE1 3.79Å; F161-F176 HydrophobicContact CZ-CE1 3.79Å; F161-F176 HydrophobicContact CZ-CG 4.08Å; F161-F176 HydrophobicContact CZ-CZ 4.47Å; F161-V183 HydrophobicContact CD2-CG1 4Å; F161-V183 HydrophobicContact CD2-CG2 4.34Å; F161-V183 HydrophobicContact CE2-CG1 3.76Å
162K96.2Very high93.6Very high85 Ų8566.7 Ų66.737%0.3735%0.352SS..BIsolated β-bridgetrans-134.4151.6176.761.9-173.8177-173.70110C160 V164 K168C160-K162 PolarHBondContact O-N 2.97Å; K162-V164 PolarHBondContact O-N 3.45Å; K162-K168 CarbonylContact C-O 3.52Å; K162-K168 WeakPolarHBondContact CA-O 3.41Å; K162-K168 WeakPolarHBondContact CB-O 3.27Å
163C97.1Very high93.6Very high0 Ų065.6 Ų65.60%035%0.352CS..  trans-59.5130175.7-177.60000110E165 C166 L167 K168 V183 C185C163-E165 VanDerWaalsContact C-N 3.3Å; C163-E165 PolarHBondContact O-N 2.91Å; C163-C166 WeakPolarHBondContact CB-SG 3.35Å; C163-L167 WeakPolarHBondContact O-CA 3.42Å; C163-L167 PolarHBondContact O-N 2.75Å; C163-K168 HydrophobicContact CB-CB 4.46Å; C163-K168 PolarHBondContact N-O 3.17Å; C163-V183 CarbonylContact C-O 3.54Å; C163-V183 VanDerWaalsContact CA-O 3.28Å; C163-V183 WeakPolarHBondContact CA-O 3.41Å; C163-C185 HydrophobicContact CB-CB 4Å; C163-C185 PolarHBondContact SG-N 3.13Å
164V95.4Very high93.8Very high58 Ų5864.6 Ų64.635%0.35234%0.344SS..THydrogen-bonded Turntrans-69-31.4-179.9173.90000112.1K162 N182 V183K162-V164 PolarHBondContact O-N 3.45Å; V164-N182 HydrophobicContact CG2-CB 3.87Å; V164-V183 PolarHBondContact N-O 2.93Å
165E95.4Very high93.9Very high113 Ų11370.2 Ų70.253%0.52836%0.361SS..THydrogen-bonded Turntrans-77.8-54.6-179.2-63.2-65.3152.900112.7C163 Y184 C188C163-E165 VanDerWaalsContact C-N 3.3Å; C163-E165 PolarHBondContact O-N 2.91Å; E165-Y184 HydrophobicContact CG-CD1 3.71Å; E165-Y184 HydrophobicContact CG-CE1 3.76Å; E165-C188 HydrophobicContact CB-CB 3.76Å; E165-C188 HydrophobicContact CG-CB 3.97Å
166C97Very high94Very high64 Ų6472 Ų7243%0.43237%0.367SS..THydrogen-bonded Turntrans-103.30.7-173.869.80000114.2C163 K168C163-C166 WeakPolarHBondContact CB-SG 3.35Å; C166-K168 PolarHBondContact O-N 3.16Å; C166-K168 WeakPolarHBondContact SG-CB 3.25Å
167L96.2Very high94Very high116 Ų11673.6 Ų73.661%0.60737%0.374SS*.  trans58.76.7-178-55179.2000115.4C163 Q169C163-L167 WeakPolarHBondContact O-CA 3.42Å; C163-L167 PolarHBondContact O-N 2.75Å; L167-Q169 PolarHBondContact O-N 3.31Å
168K96Very high94Very high117 Ų11774.3 Ų74.351%0.50938%0.376SS..PPolyproline II helixtrans-57122.2176.2-180-178.9174.8-1740110K162 C163 C166 L170K162-K168 CarbonylContact C-O 3.52Å; K162-K168 WeakPolarHBondContact CA-O 3.41Å; K162-K168 WeakPolarHBondContact CB-O 3.27Å; C163-K168 HydrophobicContact CB-CB 4.46Å; C163-K168 PolarHBondContact N-O 3.17Å; C166-K168 PolarHBondContact O-N 3.16Å; C166-K168 WeakPolarHBondContact SG-CB 3.25Å; K168-L170 PolarHBondContact O-N 3.15Å
169Q95.7Very high94.1Very high95 Ų9574.8 Ų74.844%0.44438%0.376SS..BIsolated β-bridgetrans-62.9126.9169.9-174.161.947.500109.5P158 F161 L167P158-Q169 PolarHBondContact O-NE2 3.39Å; F161-Q169 PolarHBondContact O-NE2 2.83Å; L167-Q169 PolarHBondContact O-N 3.31Å
170L94.2Very high93.9Very high7 Ų774.3 Ų74.34%0.03737%0.374CS..PPolyproline II helixtrans-99.9150.2-179.9-59.9171.9000110F161 K168 D174 F176 V183 C185F161-L170 HydrophobicContact CD1-CB 3.76Å; F161-L170 WeakPolarHBondContact CD1-O 3.42Å; F161-L170 HydrophobicContact CD2-CB 4.29Å; F161-L170 HydrophobicContact CD2-CD1 4.38Å; F161-L170 HydrophobicContact CE1-CB 3.55Å; F161-L170 HydrophobicContact CE2-CB 4.11Å; F161-L170 HydrophobicContact CE2-CD1 4.06Å; F161-L170 HydrophobicContact CG-CB 4.15Å; F161-L170 HydrophobicContact CZ-CB 3.73Å; F161-L170 HydrophobicContact CZ-CD1 4.35Å; F161-L170 WeakPolarHBondContact O-CB 3.49Å; F161-L170 PolarHBondContact O-N 3.21Å; K168-L170 PolarHBondContact O-N 3.15Å; L170-D174 WeakPolarHBondContact CA-OD2 3.36Å; L170-D174 HydrophobicContact CB-CB 4.5Å; L170-D174 HydrophobicContact CD2-CB 4.34Å; L170-F176 HydrophobicContact CD1-CB 3.92Å; L170-V183 HydrophobicContact CD1-CG1 3.45Å; L170-V183 VanDerWaalsContact CD1-CG1 3.45Å; L170-C185 HydrophobicContact CD2-CB 3.8Å
171K91.7Very high93.7Very high142 Ų14277.7 Ų77.762%0.61739%0.388SS*.PPolyproline II helixtrans-100.6152.4171.4-61.7-179.1-178.5-177.70110F161 D173 D174F161-K171 VanDerWaalsContact CE1-C 3.46Å; F161-K171 VanDerWaalsContact CE1-O 3.31Å; F161-K171 WeakPolarHBondContact CE1-O 3.27Å; K171-D173 PolarHBondContact O-N 3.25Å; K171-D174 PolarHBondContact N-OD2 3.18Å; K171-D174 VanDerWaalsContact O-CB 3.31Å; K171-D174 WeakPolarHBondContact O-CB 3.36Å; K171-D174 PolarHBondContact O-N 2.81Å
172P87.4Confident93.7Very high94 Ų9480 Ų8061%0.6140%0.4SS*.THydrogen-bonded Turntrans-51.3-32.3179.2-27.934.5000113.9I149I149-P172 HydrophobicContact CD1-CB 4.38Å; I149-P172 HydrophobicContact CD1-CG 3.96Å
173D90.2Very high93.6Very high160 Ų16076 Ų7686%0.85638%0.383SS*.THydrogen-bonded Turntrans-83.2-10.2178.6-53.8-38.9000114.2K171K171-D173 PolarHBondContact O-N 3.25Å
174D92.4Very high93.6Very high51 Ų5176.6 Ų76.627%0.27339%0.385SS..SBendtrans-71.1137.7178-75.6-31000110.2L170 K171 F176L170-D174 WeakPolarHBondContact CA-OD2 3.36Å; L170-D174 HydrophobicContact CB-CB 4.5Å; L170-D174 HydrophobicContact CD2-CB 4.34Å; K171-D174 PolarHBondContact N-OD2 3.18Å; K171-D174 VanDerWaalsContact O-CB 3.31Å; K171-D174 WeakPolarHBondContact O-CB 3.36Å; K171-D174 PolarHBondContact O-N 2.81Å; D174-F176 WeakPolarHBondContact O-CD1 3.5Å; D174-F176 PolarHBondContact O-N 2.83Å
175K93.7Very high93.6Very high143 Ų14374.3 Ų74.362%0.62237%0.371SS*.  trans-65.4120.2168.2-169.9179.1-172.3-178.10110
176F94.7Very high93.6Very high65 Ų6573 Ų7329%0.28537%0.368SS..EExtended strand (participates in β ladder)trans-129.9162.4176.370.6-91000111.7L151 F161 L170 D174 V183 Y184L151-F176 HydrophobicContact CD2-CE2 3.83Å; L151-F176 HydrophobicContact CD2-CZ 4.27Å; F161-F176 HydrophobicContact CE2-CB 4.47Å; F161-F176 AromaticContact CE2-CD1 3.83Å; F161-F176 HydrophobicContact CE2-CD1 3.83Å; F161-F176 HydrophobicContact CE2-CD2 4.21Å; F161-F176 HydrophobicContact CE2-CE1 4.04Å; F161-F176 HydrophobicContact CE2-CE2 4.4Å; F161-F176 AromaticContact CE2-CG 3.92Å; F161-F176 HydrophobicContact CE2-CG 3.92Å; F161-F176 HydrophobicContact CE2-CZ 4.32Å; F161-F176 AromaticContact CZ-CD1 3.55Å; F161-F176 HydrophobicContact CZ-CD1 3.55Å; F161-F176 AromaticContact CZ-CE1 3.79Å; F161-F176 HydrophobicContact CZ-CE1 3.79Å; F161-F176 HydrophobicContact CZ-CG 4.08Å; F161-F176 HydrophobicContact CZ-CZ 4.47Å; L170-F176 HydrophobicContact CD1-CB 3.92Å; D174-F176 WeakPolarHBondContact O-CD1 3.5Å; D174-F176 PolarHBondContact O-N 2.83Å; F176-V183 HydrophobicContact CB-CG1 3.83Å; F176-V183 HydrophobicContact CD2-CG1 3.74Å; F176-V183 HydrophobicContact CG-CG1 4.01Å; F176-Y184 CarbonylContact C-O 3.58Å; F176-Y184 VanDerWaalsContact CA-O 3.3Å; F176-Y184 WeakPolarHBondContact CA-O 3.49Å
177F94.5Very high93.6Very high33 Ų3374.2 Ų74.215%0.14538%0.383CS..EExtended strand (participates in β ladder)trans-121.7139.2174.7-62.6-89.2000109.5V183 Y184 D189 F192F177-V183 CarbonylContact O-C 3.49Å; F177-V183 WeakPolarHBondContact O-CA 3.27Å; F177-Y184 PolarHBondContact N-O 2.67Å; F177-Y184 PolarHBondContact O-N 3.44Å; F177-D189 HydrophobicContact CB-CB 4.36Å; F177-D189 HydrophobicContact CD1-CB 4.47Å; F177-D189 HydrophobicContact CD2-CB 3.19Å; F177-D189 HydrophobicContact CE2-CB 3.38Å; F177-D189 VanDerWaalsContact CE2-OD2 3.29Å; F177-D189 WeakPolarHBondContact CE2-OD2 3.27Å; F177-D189 HydrophobicContact CG-CB 3.77Å; F177-D189 HydrophobicContact CZ-CB 4.1Å; F177-D189 WeakPolarHBondContact CZ-OD2 3.33Å; F177-F192 HydrophobicContact CB-CB 3.84Å; F177-F192 HydrophobicContact CB-CD1 4.03Å; F177-F192 HydrophobicContact CB-CD2 4.2Å; F177-F192 HydrophobicContact CB-CG 3.75Å; F177-F192 AromaticContact CD1-CD1 3.33Å; F177-F192 HydrophobicContact CD1-CD1 3.33Å; F177-F192 AromaticContact CD1-CE1 3.5Å; F177-F192 HydrophobicContact CD1-CE1 3.5Å; F177-F192 VanDerWaalsContact CD1-CE1 3.5Å; F177-F192 AromaticContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CZ 4.24Å; F177-F192 HydrophobicContact CE1-CD1 4.04Å; F177-F192 HydrophobicContact CE1-CE1 4.05Å; F177-F192 HydrophobicContact CG-CB 4.45Å; F177-F192 AromaticContact CG-CD1 3.98Å; F177-F192 HydrophobicContact CG-CD1 3.98Å; F177-F192 HydrophobicContact CG-CE1 4.5Å; F177-F192 HydrophobicContact CG-CG 4.22Å
178Q93.1Very high93.6Very high28 Ų2870 Ų7013%0.13136%0.363CS..EExtended strand (participates in β ladder)trans-112.5130.6-178-175-163.3-23.300109.9L151 N180 N182 F192L151-Q178 HydrophobicContact CD1-CG 4.38Å; L151-Q178 HydrophobicContact CD2-CG 4.37Å; Q178-N180 WeakPolarHBondContact CG-O 3.49Å; Q178-N180 PolarHBondContact NE2-O 2.86Å; Q178-N182 WeakPolarHBondContact CA-O 3.22Å; Q178-F192 WeakPolarHBondContact O-CD2 3.3Å; Q178-F192 VanDerWaalsContact O-CE2 3.25Å; Q178-F192 WeakPolarHBondContact O-CE2 3.08Å
179L92.2Very high93.5Very high50 Ų5064.8 Ų64.826%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-130.9111.6166.6-174.266.5000108E181 N182 Y184 A195L179-E181 PolarHBondContact O-N 2.76Å; L179-N182 PolarHBondContact N-O 3.25Å; L179-N182 WeakPolarHBondContact O-CB 2.99Å; L179-N182 PolarHBondContact O-N 2.91Å; L179-Y184 HydrophobicContact CB-CE2 3.89Å; L179-A195 HydrophobicContact CD1-CB 3.53Å; L179-A195 HydrophobicContact CD2-CB 3.96Å; L179-A195 HydrophobicContact CG-CB 4.42Å
180N89.4Confident93.4Very high118 Ų11865.6 Ų65.663%0.63135%0.345SS*.THydrogen-bonded Turntrans55.2-125.4-169.6-53.9-33.3000110.8V153 Q178V153-N180 VanDerWaalsContact CG2-O 3.3Å; V153-N180 WeakPolarHBondContact CG2-O 3.35Å; Q178-N180 WeakPolarHBondContact CG-O 3.49Å; Q178-N180 PolarHBondContact NE2-O 2.86Å
181E91.1Very high93.3Very high90 Ų9067 Ų6742%0.42136%0.355SS..THydrogen-bonded Turntrans-83.9-8.2174.363.2-172.8-169.900113.8V136 K137 V153 L179V136-E181 HydrophobicContact CG2-CB 4.32Å; K137-E181 WeakPolarHBondContact CE-O 3.48Å; V153-E181 HydrophobicContact CG2-CB 4.19Å; L179-E181 PolarHBondContact O-N 2.76Å
182N93.8Very high93.2Very high51 Ų5163 Ų6327%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-85.6145.5-177.1-68.6-27000111.8V164 Q178 L179 Y184V164-N182 HydrophobicContact CG2-CB 3.87Å; Q178-N182 WeakPolarHBondContact CA-O 3.22Å; L179-N182 PolarHBondContact N-O 3.25Å; L179-N182 WeakPolarHBondContact O-CB 2.99Å; L179-N182 PolarHBondContact O-N 2.91Å; N182-Y184 HydrophobicContact CB-CE2 3.69Å
183V94.9Very high93.4Very high0 Ų065.2 Ų65.20%033%0.334CS..EExtended strand (participates in β ladder)trans-123136.2179.7-177.50000108L151 I156 F161 C163 V164 L170 F176 F177L151-V183 HydrophobicContact CD1-CG2 3.82Å; L151-V183 HydrophobicContact CD2-CG2 4.17Å; I156-V183 HydrophobicContact CD1-CG2 3.99Å; F161-V183 HydrophobicContact CD2-CG1 4Å; F161-V183 HydrophobicContact CD2-CG2 4.34Å; F161-V183 HydrophobicContact CE2-CG1 3.76Å; C163-V183 CarbonylContact C-O 3.54Å; C163-V183 VanDerWaalsContact CA-O 3.28Å; C163-V183 WeakPolarHBondContact CA-O 3.41Å; V164-V183 PolarHBondContact N-O 2.93Å; L170-V183 HydrophobicContact CD1-CG1 3.45Å; L170-V183 VanDerWaalsContact CD1-CG1 3.45Å; F176-V183 HydrophobicContact CB-CG1 3.83Å; F176-V183 HydrophobicContact CD2-CG1 3.74Å; F176-V183 HydrophobicContact CG-CG1 4.01Å; F177-V183 CarbonylContact O-C 3.49Å; F177-V183 WeakPolarHBondContact O-CA 3.27Å
184Y96.3Very high93.5Very high14 Ų1466.1 Ų66.16%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-124.8136.9-178.7-57.2-93.7000109.4E165 F176 F177 L179 N182 C188 P191E165-Y184 HydrophobicContact CG-CD1 3.71Å; E165-Y184 HydrophobicContact CG-CE1 3.76Å; F176-Y184 CarbonylContact C-O 3.58Å; F176-Y184 VanDerWaalsContact CA-O 3.3Å; F176-Y184 WeakPolarHBondContact CA-O 3.49Å; F177-Y184 PolarHBondContact N-O 2.67Å; F177-Y184 PolarHBondContact O-N 3.44Å; L179-Y184 HydrophobicContact CB-CE2 3.89Å; N182-Y184 HydrophobicContact CB-CE2 3.69Å; Y184-C188 WeakPolarHBondContact CB-O 3.22Å; Y184-C188 VanDerWaalsContact CD1-O 3.31Å; Y184-C188 WeakPolarHBondContact CD1-O 3.19Å; Y184-P191 HydrophobicContact CD1-CB 4.45Å; Y184-P191 HydrophobicContact CD1-CG 4.05Å; Y184-P191 HydrophobicContact CE1-CB 3.85Å; Y184-P191 HydrophobicContact CE1-CG 3.61Å
185C96.7Very high93.4Very high9 Ų965.4 Ų65.46%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-71.9166.1171.276.60000110.6C163 L170 A187 C188 D189C163-C185 HydrophobicContact CB-CB 4Å; C163-C185 PolarHBondContact SG-N 3.13Å; L170-C185 HydrophobicContact CD2-CB 3.8Å; C185-A187 PolarHBondContact O-N 3.4Å; C185-A187 VanDerWaalsContact O-N 3.07Å; C185-A187 PolarHBondContact SG-N 2.89Å; C185-C188 CarbonylContact O-C 3.34Å; C185-C188 PolarHBondContact O-N 3.49Å; C185-C188 VanDerWaalsContact SG-SG 3.6Å; C185-D189 PolarHBondContact O-N 2.98Å
186N95Very high93Very high86 Ų8664.1 Ų64.146%0.4632%0.321SS..THydrogen-bonded Turntrans-55.2-27.5178.1-169.251000114.6
187A95.8Very high92.7Very high90 Ų9067 Ų6774%0.74433%0.331SS*.THydrogen-bonded Turntrans-84.1-15.4178.300000114C185C185-A187 PolarHBondContact O-N 3.4Å; C185-A187 VanDerWaalsContact O-N 3.07Å; C185-A187 PolarHBondContact SG-N 2.89Å
188C96.6Very high92.3Very high27 Ų2769.6 Ų69.618%0.18235%0.349CS..SBendtrans-119.825.1-175.2-59.20000111.8E165 Y184 C185 M190 P191E165-C188 HydrophobicContact CB-CB 3.76Å; E165-C188 HydrophobicContact CG-CB 3.97Å; Y184-C188 WeakPolarHBondContact CB-O 3.22Å; Y184-C188 VanDerWaalsContact CD1-O 3.31Å; Y184-C188 WeakPolarHBondContact CD1-O 3.19Å; C185-C188 CarbonylContact O-C 3.34Å; C185-C188 PolarHBondContact O-N 3.49Å; C185-C188 VanDerWaalsContact SG-SG 3.6Å; C188-M190 PolarHBondContact O-N 3.2Å; C188-P191 WeakPolarHBondContact O-CD 3.44Å
189D94.1Very high91.7Very high7 Ų773.2 Ų73.24%0.03736%0.364CS..  trans-79.9-0.1-172.374.2-14.8000114.3F177 C185 F192 R193F177-D189 HydrophobicContact CB-CB 4.36Å; F177-D189 HydrophobicContact CD1-CB 4.47Å; F177-D189 HydrophobicContact CD2-CB 3.19Å; F177-D189 HydrophobicContact CE2-CB 3.38Å; F177-D189 VanDerWaalsContact CE2-OD2 3.29Å; F177-D189 WeakPolarHBondContact CE2-OD2 3.27Å; F177-D189 HydrophobicContact CG-CB 3.77Å; F177-D189 HydrophobicContact CZ-CB 4.1Å; F177-D189 WeakPolarHBondContact CZ-OD2 3.33Å; C185-D189 PolarHBondContact O-N 2.98Å; D189-F192 WeakPolarHBondContact O-CA 3.47Å; D189-F192 WeakPolarHBondContact O-CB 3.47Å; D189-F192 PolarHBondContact O-N 3.33Å; D189-R193 PolarHBondContact O-N 2.93Å; D189-R193 IonicContact OD1-CZ 3.52Å; D189-R193 IonicContact OD1-NE 3.05Å; D189-R193 PolarHBondContact OD1-NE 2.9Å; D189-R193 VanDerWaalsContact OD1-NE 3.12Å; D189-R193 IonicContact OD1-NH2 3.41Å; D189-R193 PolarHBondContact OD1-NH2 2.88Å; D189-R193 IonicContact OD2-CZ 3.17Å; D189-R193 IonicContact OD2-NE 3.41Å; D189-R193 PolarHBondContact OD2-NE 3.37Å; D189-R193 IonicContact OD2-NH2 2.76Å; D189-R193 PolarHBondContact OD2-NH2 2.9Å
190M94Very high91.3Very high112 Ų11274.6 Ų74.655%0.55237%0.372SS*.Hα-helixtrans-52.2-43.7-179.6-73.7-68.5-119.800113.9C188 F192 R193 R194C188-M190 PolarHBondContact O-N 3.2Å; M190-F192 VanDerWaalsContact C-N 3.32Å; M190-F192 PolarHBondContact O-N 2.87Å; M190-R193 PolarHBondContact O-N 3.38Å; M190-R194 WeakPolarHBondContact O-CB 3.36Å; M190-R194 WeakPolarHBondContact O-CG 3.47Å; M190-R194 PolarHBondContact O-N 3.01Å
191P90.8Very high90.9Very high37 Ų3777.8 Ų77.824%0.2438%0.375CS..Hα-helixtrans-60.1-40.5175.5-2638.3000112.8Y184 C188 A195Y184-P191 HydrophobicContact CD1-CB 4.45Å; Y184-P191 HydrophobicContact CD1-CG 4.05Å; Y184-P191 HydrophobicContact CE1-CB 3.85Å; Y184-P191 HydrophobicContact CE1-CG 3.61Å; C188-P191 WeakPolarHBondContact O-CD 3.44Å; P191-A195 WeakPolarHBondContact O-CB 3.22Å; P191-A195 PolarHBondContact O-N 3.46Å
192F90.5Very high90.2Very high58 Ų5878.4 Ų78.425%0.25439%0.385SS..Hα-helixtrans-65.6-46.5175.2176.3-95.6000111.7F177 Q178 D189 M190 R194 A195 K196F177-F192 HydrophobicContact CB-CB 3.84Å; F177-F192 HydrophobicContact CB-CD1 4.03Å; F177-F192 HydrophobicContact CB-CD2 4.2Å; F177-F192 HydrophobicContact CB-CG 3.75Å; F177-F192 AromaticContact CD1-CD1 3.33Å; F177-F192 HydrophobicContact CD1-CD1 3.33Å; F177-F192 AromaticContact CD1-CE1 3.5Å; F177-F192 HydrophobicContact CD1-CE1 3.5Å; F177-F192 VanDerWaalsContact CD1-CE1 3.5Å; F177-F192 AromaticContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CZ 4.24Å; F177-F192 HydrophobicContact CE1-CD1 4.04Å; F177-F192 HydrophobicContact CE1-CE1 4.05Å; F177-F192 HydrophobicContact CG-CB 4.45Å; F177-F192 AromaticContact CG-CD1 3.98Å; F177-F192 HydrophobicContact CG-CD1 3.98Å; F177-F192 HydrophobicContact CG-CE1 4.5Å; F177-F192 HydrophobicContact CG-CG 4.22Å; Q178-F192 WeakPolarHBondContact O-CD2 3.3Å; Q178-F192 VanDerWaalsContact O-CE2 3.25Å; Q178-F192 WeakPolarHBondContact O-CE2 3.08Å; D189-F192 WeakPolarHBondContact O-CA 3.47Å; D189-F192 WeakPolarHBondContact O-CB 3.47Å; D189-F192 PolarHBondContact O-N 3.33Å; M190-F192 VanDerWaalsContact C-N 3.32Å; M190-F192 PolarHBondContact O-N 2.87Å; F192-R194 VanDerWaalsContact C-N 3.32Å; F192-R194 PolarHBondContact O-N 3.12Å; F192-A195 PolarHBondContact O-N 3.21Å; F192-K196 HydrophobicContact CE1-CD 4.45Å; F192-K196 WeakPolarHBondContact O-CB 3Å; F192-K196 PolarHBondContact O-N 3.31Å
193R91.3Very high89Confident141 Ų14184.9 Ų84.953%0.53241%0.406SS..Hα-helixtrans-59.6-42.3177.9-67.8-170.6-171-170.111.1112D189 M190 K196 Y197D189-R193 PolarHBondContact O-N 2.93Å; D189-R193 IonicContact OD1-CZ 3.52Å; D189-R193 IonicContact OD1-NE 3.05Å; D189-R193 PolarHBondContact OD1-NE 2.9Å; D189-R193 VanDerWaalsContact OD1-NE 3.12Å; D189-R193 IonicContact OD1-NH2 3.41Å; D189-R193 PolarHBondContact OD1-NH2 2.88Å; D189-R193 IonicContact OD2-CZ 3.17Å; D189-R193 IonicContact OD2-NE 3.41Å; D189-R193 PolarHBondContact OD2-NE 3.37Å; D189-R193 IonicContact OD2-NH2 2.76Å; D189-R193 PolarHBondContact OD2-NH2 2.9Å; M190-R193 PolarHBondContact O-N 3.38Å; R193-K196 PolarHBondContact O-N 2.79Å; R193-Y197 WeakPolarHBondContact O-CB 3.47Å; R193-Y197 PolarHBondContact O-N 2.93Å
194R92Very high87.2Confident179 Ų17988.1 Ų88.168%0.67544%0.439SS*.Hα-helixtrans-62.9-47.2175.9-75.9178.7174.6175.3-1111.6M190 F192 K196 Y197 V198M190-R194 WeakPolarHBondContact O-CB 3.36Å; M190-R194 WeakPolarHBondContact O-CG 3.47Å; M190-R194 PolarHBondContact O-N 3.01Å; F192-R194 VanDerWaalsContact C-N 3.32Å; F192-R194 PolarHBondContact O-N 3.12Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 2.91Å; R194-Y197 PolarHBondContact O-N 3.47Å; R194-V198 WeakPolarHBondContact O-CG2 3.39Å; R194-V198 PolarHBondContact O-N 2.87Å
195A90Very high85.2Confident35 Ų3589.9 Ų89.929%0.28946%0.462SS..Hα-helixtrans-60.9-43.3178.100000111.8L179 P191 F192 V198 F199L179-A195 HydrophobicContact CD1-CB 3.53Å; L179-A195 HydrophobicContact CD2-CB 3.96Å; L179-A195 HydrophobicContact CG-CB 4.42Å; P191-A195 WeakPolarHBondContact O-CB 3.22Å; P191-A195 PolarHBondContact O-N 3.46Å; F192-A195 PolarHBondContact O-N 3.21Å; A195-V198 PolarHBondContact O-N 3.32Å; A195-F199 WeakPolarHBondContact O-CB 3.48Å; A195-F199 PolarHBondContact O-N 2.96Å
196K86.5Confident83Confident117 Ų11795.7 Ų95.751%0.50950%0.499SS..Hα-helixtrans-61.9-46.6175-173.4179.5176.9-174.70112F192 R193 R194 V198 F199 D200F192-K196 HydrophobicContact CE1-CD 4.45Å; F192-K196 WeakPolarHBondContact O-CB 3Å; F192-K196 PolarHBondContact O-N 3.31Å; R193-K196 PolarHBondContact O-N 2.79Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 2.91Å; K196-V198 VanDerWaalsContact C-N 3.34Å; K196-V198 PolarHBondContact O-N 2.92Å; K196-F199 WeakPolarHBondContact O-CB 3.11Å; K196-F199 PolarHBondContact O-N 3.45Å; K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 2.99Å
197Y87.6Confident80.7Confident126 Ų126100 Ų10049%0.49455%0.547SS..Hα-helixtrans-58.5-43177.5178.8-98.4000112.9R193 R194 R201R193-Y197 WeakPolarHBondContact O-CB 3.47Å; R193-Y197 PolarHBondContact O-N 2.93Å; R194-Y197 PolarHBondContact O-N 3.47Å; Y197-R201 PolarHBondContact O-N 3.24Å; Y197-R201 VanDerWaalsContact O-N 3.15Å; Y197-R201 PolarHBondContact OH-NE 3.43Å; Y197-R201 VanDerWaalsContact OH-NE 3.14Å; Y197-R201 PolarHBondContact OH-NH1 3.02Å; Y197-R201 PolarHBondContact OH-NH2 3.19Å
198V86.2Confident79.9Confident86 Ų86100.5 Ų100.552%0.52154%0.537SS..Hα-helixtrans-64.6-45.4175.7173.40000110.6R194 A195 K196 D200 R201 T202R194-V198 WeakPolarHBondContact O-CG2 3.39Å; R194-V198 PolarHBondContact O-N 2.87Å; A195-V198 PolarHBondContact O-N 3.32Å; K196-V198 VanDerWaalsContact C-N 3.34Å; K196-V198 PolarHBondContact O-N 2.92Å; V198-D200 PolarHBondContact O-N 2.92Å; V198-R201 PolarHBondContact O-N 3.3Å; V198-T202 HydrophobicContact CG1-CG2 4.4Å; V198-T202 WeakPolarHBondContact O-CG2 3.49Å; V198-T202 PolarHBondContact O-N 3.35Å; V198-T202 PolarHBondContact O-OG1 2.82Å
199F81.6Confident79Confident105 Ų105104.4 Ų104.446%0.46156%0.556SS.*Hα-helixtrans-58.1-49.8177.6179.5-91.2000112.1A195 K196 R201 T202 R203A195-F199 WeakPolarHBondContact O-CB 3.48Å; A195-F199 PolarHBondContact O-N 2.96Å; K196-F199 WeakPolarHBondContact O-CB 3.11Å; K196-F199 PolarHBondContact O-N 3.45Å; F199-R201 VanDerWaalsContact C-N 3.33Å; F199-R201 PolarHBondContact O-N 3.18Å; F199-T202 PolarHBondContact O-N 3.46Å; F199-T202 PolarHBondContact O-OG1 2.87Å; F199-R203 PolarHBondContact O-N 2.76Å
200D83.5Confident78.2Confident78 Ų78109.8 Ų109.842%0.41759%0.585SS.*Hα-helixtrans-61.3-40.9-178.9-66.5-19.6000111.4K196 V198K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 2.99Å; V198-D200 PolarHBondContact O-N 2.92Å
201R80.1Confident77.2Confident185 Ų185109.6 Ų109.670%0.69859%0.587SS**Hα-helixtrans-68.3-35.6177.2-81.7-167.3153.3-168.1-3.9114.2Y197 V198 F199 R203Y197-R201 PolarHBondContact O-N 3.24Å; Y197-R201 VanDerWaalsContact O-N 3.15Å; Y197-R201 PolarHBondContact OH-NE 3.43Å; Y197-R201 VanDerWaalsContact OH-NE 3.14Å; Y197-R201 PolarHBondContact OH-NH1 3.02Å; Y197-R201 PolarHBondContact OH-NH2 3.19Å; V198-R201 PolarHBondContact O-N 3.3Å; F199-R201 VanDerWaalsContact C-N 3.33Å; F199-R201 PolarHBondContact O-N 3.18Å; R201-R203 VanDerWaalsContact C-N 3.3Å; R201-R203 PolarHBondContact O-N 3.05Å
202T77.8Confident76.4Confident104 Ų104114.2 Ų114.264%0.63861%0.608SS**Hα-helixtrans-74.9-17.9-178.455.70000113.9V198 F199V198-T202 HydrophobicContact CG1-CG2 4.4Å; V198-T202 WeakPolarHBondContact O-CG2 3.49Å; V198-T202 PolarHBondContact O-N 3.35Å; V198-T202 PolarHBondContact O-OG1 2.82Å; F199-T202 PolarHBondContact O-N 3.46Å; F199-T202 PolarHBondContact O-OG1 2.87Å
203R67.5Low75.5Confident186 Ų186117.9 Ų117.970%0.70263%0.632SS**THydrogen-bonded Turntrans-109.29.5-178.7-75.8-174.2169.6163.1-0.7114.9F199 R201 G205F199-R203 PolarHBondContact O-N 2.76Å; R201-R203 VanDerWaalsContact C-N 3.3Å; R201-R203 PolarHBondContact O-N 3.05Å; R203-G205 VanDerWaalsContact C-N 3.34Å; R203-G205 PolarHBondContact O-N 2.95Å
204G57.5Low74.3Confident68 Ų68116.3 Ų116.370%0.70164%0.639SS**THydrogen-bonded Turntrans63.733.3169.600000114.8
205G55Low73Confident52 Ų52111.5 Ų111.554%0.53664%0.636SS.*  trans-67.8146.9170.800000111.5R203R203-G205 VanDerWaalsContact C-N 3.34Å; R203-G205 PolarHBondContact O-N 2.95Å
206P50.7Low71.6Confident130 Ų130117.8 Ų117.884%0.84467%0.665SS**  trans-66.1146.8-175.729.4-32.6000110.8
207A44.7Very low70.2Confident177 Ų177117.9 Ų117.9100%1.46368%0.68SS**  trans-59.30174.300000112.6

Retrieved 207 of 207 residues in 123.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).