RAN1_SCHPO Loading...

Negative regulator of sexual conjugation and meiosis

This protein is a negative regulator of both sexual conjugation and meiosis. It phosphorylates mei2. It blocks the onset of meiosis until conjugation takes place.

AlphaFold DB , UniProt , Accession P08092, Species SCHPO (Schizosaccharomyces pombe (strain 972 / ATCC 24843), Fission yeast), Gene ran1, Length 470 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
1M54.6Low79.2Confident160 Ų16082.9 Ų82.979%0.78843%0.425SS*.  0-55.90-159179.1-8800113.3R3 E4 N5 L8M1-R3 PolarHBondContact O-N 3.47Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-E4 VanDerWaalsContact O-N 3.12Å; M1-N5 PolarHBondContact O-N 3.12Å; M1-L8 HydrophobicContact CG-CD1 4.01Å; M1-L8 HydrophobicContact SD-CD1 4.14Å
2M59.4Low80.4Confident29 Ų2982.8 Ų82.814%0.14342%0.421CS..THydrogen-bonded Turntrans-61-36.6-176.8-79.4-166.7-138.800116.4E4 L9 A48 A90 Y92M2-E4 PolarHBondContact O-N 3.35Å; M2-L9 HydrophobicContact CE-CD1 4.03Å; M2-L9 HydrophobicContact CG-CD1 3.92Å; M2-L9 HydrophobicContact SD-CD1 3.7Å; M2-A48 HydrophobicContact SD-CB 3.76Å; M2-A90 HydrophobicContact CE-CB 3.3Å; M2-A90 HydrophobicContact SD-CB 4.2Å; M2-Y92 HydrophobicContact CE-CE1 3.72Å; M2-Y92 HydrophobicContact CE-CE2 4.22Å; M2-Y92 WeakPolarHBondContact CE-OH 3.28Å; M2-Y92 HydrophobicContact SD-CE1 4.29Å
3R63.1Low81.5Confident137 Ų13781.4 Ų81.452%0.51742%0.419SS..THydrogen-bonded Turntrans-66.7-29.4176.7-84.8-170.1-177.1136.35.4112.6M1 D52M1-R3 PolarHBondContact O-N 3.47Å; R3-D52 PolarHBondContact NH1-O 2.87Å
4E68.6Low82.3Confident173 Ų17376.2 Ų76.281%0.80839%0.392SS*.THydrogen-bonded Turntrans-92.1-35-173.2-67.7178.9163.300111.9M1 M2M1-E4 PolarHBondContact O-N 3.3Å; M1-E4 VanDerWaalsContact O-N 3.12Å; M2-E4 PolarHBondContact O-N 3.35Å
5N83Confident82.7Confident75 Ų7572.8 Ų72.840%0.40138%0.383SS..  trans-145.575.5-179.7-158.3-5.9000111.7M1 E7 L8M1-N5 PolarHBondContact O-N 3.12Å; N5-E7 PolarHBondContact O-N 2.99Å; N5-L8 HydrophobicContact CB-CD1 3.81Å; N5-L8 HydrophobicContact CB-CG 3.93Å; N5-L8 WeakPolarHBondContact O-CB 3.37Å; N5-L8 WeakPolarHBondContact O-CG 3.47Å; N5-L8 PolarHBondContact O-N 3.3Å
6P84.9Confident82.9Confident27 Ų2776.8 Ų76.818%0.17541%0.405CS..G310 helixtrans-65.3-24.6-177.926.9-34.9000113.3L8 L9 I23 V31 Y33P6-L8 PolarHBondContact O-N 3.02Å; P6-L8 VanDerWaalsContact O-N 3.16Å; P6-L9 PolarHBondContact O-N 3.26Å; P6-I23 HydrophobicContact CB-CD1 3.71Å; P6-I23 HydrophobicContact CG-CD1 3.73Å; P6-V31 HydrophobicContact CB-CB 4.43Å; P6-V31 HydrophobicContact CB-CG1 4.05Å; P6-V31 HydrophobicContact CB-CG2 3.97Å; P6-Y33 VanDerWaalsContact CA-OH 3.32Å; P6-Y33 WeakPolarHBondContact CA-OH 3.46Å; P6-Y33 HydrophobicContact CB-CE1 4.4Å; P6-Y33 WeakPolarHBondContact CB-OH 3.18Å; P6-Y33 WeakPolarHBondContact O-CE1 3.3Å; P6-Y33 PolarHBondContact O-OH 3.28Å
7E89.8Confident83.6Confident106 Ų10672.9 Ų72.950%0.49539%0.385SS..G310 helixtrans-61-23.2177.8-58.8-64.4166.300112.6N5 L9 L10 I23N5-E7 PolarHBondContact O-N 2.99Å; E7-L9 PolarHBondContact O-N 3.16Å; E7-L10 WeakPolarHBondContact O-CB 3.5Å; E7-L10 WeakPolarHBondContact O-CG 3.46Å; E7-L10 PolarHBondContact O-N 2.73Å; E7-L10 WeakPolarHBondContact OE2-CD1 2.9Å; E7-I23 HydrophobicContact CG-CD1 4.29Å; E7-I23 VanDerWaalsContact OE1-CD1 3.24Å; E7-I23 WeakPolarHBondContact OE1-CD1 3.42Å
8L89.4Confident84.3Confident81 Ų8168.8 Ų68.842%0.42436%0.364SS..G310 helixtrans-61.1-28.5178.7-68.8177.4000113.1M1 N5 P6 L10 Q12M1-L8 HydrophobicContact CG-CD1 4.01Å; M1-L8 HydrophobicContact SD-CD1 4.14Å; N5-L8 HydrophobicContact CB-CD1 3.81Å; N5-L8 HydrophobicContact CB-CG 3.93Å; N5-L8 WeakPolarHBondContact O-CB 3.37Å; N5-L8 WeakPolarHBondContact O-CG 3.47Å; N5-L8 PolarHBondContact O-N 3.3Å; P6-L8 PolarHBondContact O-N 3.02Å; P6-L8 VanDerWaalsContact O-N 3.16Å; L8-L10 VanDerWaalsContact C-N 3.28Å; L8-Q12 PolarHBondContact O-NE2 3.28Å
9L90.9Very high85Confident15 Ų1570.5 Ų70.58%0.07937%0.365CS..G310 helixtrans-74.6-19.2178.3-71.9-177.5000112.5M2 P6 E7 G11 Q12 F20 Y33 Y92M2-L9 HydrophobicContact CE-CD1 4.03Å; M2-L9 HydrophobicContact CG-CD1 3.92Å; M2-L9 HydrophobicContact SD-CD1 3.7Å; P6-L9 PolarHBondContact O-N 3.26Å; E7-L9 PolarHBondContact O-N 3.16Å; L9-G11 PolarHBondContact O-N 3.29Å; L9-Q12 VanDerWaalsContact O-CB 3.3Å; L9-Q12 WeakPolarHBondContact O-CB 3.28Å; L9-Q12 PolarHBondContact O-N 3.22Å; L9-F20 HydrophobicContact CB-CD2 3.85Å; L9-F20 HydrophobicContact CB-CE2 4.08Å; L9-F20 HydrophobicContact CB-CG 4.23Å; L9-F20 HydrophobicContact CD1-CE2 4.14Å; L9-F20 HydrophobicContact CD1-CZ 4.15Å; L9-F20 HydrophobicContact CD2-CE2 4.23Å; L9-F20 HydrophobicContact CG-CE2 4.4Å; L9-F20 VanDerWaalsContact O-CB 3.27Å; L9-F20 WeakPolarHBondContact O-CB 3.24Å; L9-F20 VanDerWaalsContact O-CD2 3.28Å; L9-F20 WeakPolarHBondContact O-CD2 3.32Å; L9-Y33 HydrophobicContact CB-CE1 4.21Å; L9-Y33 HydrophobicContact CD1-CE2 3.99Å; L9-Y92 HydrophobicContact CD1-CE1 4.18Å
10L94.3Very high85.6Confident56 Ų5667.2 Ų67.229%0.29335%0.348SS..THydrogen-bonded Turntrans-62.1133.4-177.8-60.1-166.8000111.4E7 L8 Q12 F20 I23 Y33E7-L10 WeakPolarHBondContact O-CB 3.5Å; E7-L10 WeakPolarHBondContact O-CG 3.46Å; E7-L10 PolarHBondContact O-N 2.73Å; E7-L10 WeakPolarHBondContact OE2-CD1 2.9Å; L8-L10 VanDerWaalsContact C-N 3.28Å; L10-Q12 PolarHBondContact O-N 3.22Å; L10-F20 HydrophobicContact CD2-CB 4.32Å; L10-I23 HydrophobicContact CD2-CG1 4.27Å; L10-Y33 HydrophobicContact CD2-CD1 3.94Å; L10-Y33 HydrophobicContact CD2-CE1 4.26Å
11G93.2Very high86.2Confident53 Ų5366.8 Ų66.855%0.54635%0.348SS..THydrogen-bonded Turntrans80.4-16.6-174.400000114.8L9 F20L9-G11 PolarHBondContact O-N 3.29Å; G11-F20 PolarHBondContact N-O 3.46Å
12Q94.1Very high88.2Confident81 Ų8161.2 Ų61.238%0.37932%0.324SS..PPolyproline II helixtrans-74.1153.2174.7-56.2-167.523.400111.3L8 L9 L10 R19 F20L8-Q12 PolarHBondContact O-NE2 3.28Å; L9-Q12 VanDerWaalsContact O-CB 3.3Å; L9-Q12 WeakPolarHBondContact O-CB 3.28Å; L9-Q12 PolarHBondContact O-N 3.22Å; L10-Q12 PolarHBondContact O-N 3.22Å; Q12-R19 WeakPolarHBondContact O-CA 3.1Å; Q12-F20 PolarHBondContact O-N 3.05Å
13V94.1Very high89.9Confident65 Ų6562 Ų6239%0.39433%0.329SS..EExtended strand (participates in β ladder)trans-101122.4175.2-176.80000108.9L18 R19V13-L18 CarbonylContact C-O 3.52Å; V13-L18 WeakPolarHBondContact CA-O 3.34Å; V13-R19 HydrophobicContact CG2-CB 4.26Å
14L92.4Very high91.3Very high9 Ų959.2 Ų59.25%0.04732%0.323CS..EExtended strand (participates in β ladder)trans-88.9125.2171.7176.169.2000109.9L18 F20 V46 L85 Y92L14-L18 HydrophobicContact CB-CB 4.28Å; L14-L18 PolarHBondContact N-O 3.07Å; L14-L18 PolarHBondContact O-N 2.77Å; L14-F20 HydrophobicContact CB-CE2 3.71Å; L14-F20 HydrophobicContact CB-CZ 3.9Å; L14-F20 HydrophobicContact CD2-CZ 3.93Å; L14-F20 HydrophobicContact CG-CZ 4.39Å; L14-V46 HydrophobicContact CD2-CG1 4.13Å; L14-L85 HydrophobicContact CD2-CD1 3.78Å; L14-L85 HydrophobicContact CG-CD1 3.82Å; L14-Y92 HydrophobicContact CD1-CD1 4.29Å; L14-Y92 HydrophobicContact CD1-CD2 3.58Å; L14-Y92 HydrophobicContact CD1-CE1 4.17Å; L14-Y92 HydrophobicContact CD1-CE2 3.43Å; L14-Y92 VanDerWaalsContact CD1-CE2 3.43Å; L14-Y92 HydrophobicContact CD1-CG 3.98Å; L14-Y92 HydrophobicContact CD2-CD1 3.65Å; L14-Y92 HydrophobicContact CD2-CD2 3.96Å; L14-Y92 HydrophobicContact CD2-CE1 4.19Å; L14-Y92 HydrophobicContact CD2-CE2 4.46Å; L14-Y92 HydrophobicContact CD2-CG 3.47Å; L14-Y92 VanDerWaalsContact CD2-CG 3.47Å; L14-Y92 HydrophobicContact CG-CD2 4.42Å; L14-Y92 HydrophobicContact CG-CG 4.38Å
15G88.9Confident92.4Very high25 Ų2552.3 Ų52.326%0.25830%0.299SS..THydrogen-bonded Turntrans61.2-137-171.700000110
16D86Confident92.5Very high136 Ų13652.7 Ų52.773%0.72731%0.312SS*.THydrogen-bonded Turntrans-93.7-18.9-173.4-59.7-29000114.1
17S94Very high91.9Very high11 Ų1154 Ų548%0.07733%0.331CS..THydrogen-bonded Turntrans-139.1-20.6-167.7760000117.3R19 D37 I38 R83S17-R19 PolarHBondContact O-N 3.16Å; S17-D37 WeakPolarHBondContact CB-OD1 3.36Å; S17-D37 WeakPolarHBondContact CB-OD2 3.45Å; S17-D37 WeakPolarHBondContact O-CA 3.46Å; S17-D37 VanDerWaalsContact OG-CG 3.27Å; S17-D37 PolarHBondContact OG-OD2 2.96Å; S17-I38 WeakPolarHBondContact O-CG1 3.48Å; S17-I38 WeakPolarHBondContact O-CG2 3.3Å; S17-I38 PolarHBondContact O-N 3.28Å; S17-R83 PolarHBondContact OG-NH2 3.44Å
18L96.6Very high91Very high0 Ų053.1 Ų53.10%034%0.342CS..EExtended strand (participates in β ladder)trans-90.7100.7-168.6-67.3174.6000112V13 L14 A35 D37 Y44 V46 L85 V94V13-L18 CarbonylContact C-O 3.52Å; V13-L18 WeakPolarHBondContact CA-O 3.34Å; L14-L18 HydrophobicContact CB-CB 4.28Å; L14-L18 PolarHBondContact N-O 3.07Å; L14-L18 PolarHBondContact O-N 2.77Å; L18-A35 HydrophobicContact CB-CB 4.47Å; L18-D37 HydrophobicContact CD2-CB 4.09Å; L18-Y44 HydrophobicContact CD2-CD2 3.58Å; L18-Y44 HydrophobicContact CD2-CE2 4.05Å; L18-Y44 HydrophobicContact CD2-CG 4.37Å; L18-V46 HydrophobicContact CD1-CG2 4.5Å; L18-L85 HydrophobicContact CD1-CD1 4.26Å; L18-V94 HydrophobicContact CD1-CB 4.49Å; L18-V94 HydrophobicContact CD1-CG1 4.03Å; L18-V94 HydrophobicContact CD1-CG2 3.58Å
19R97.5Very high90.1Very high100 Ų10056.3 Ų56.338%0.37735%0.349SS..EExtended strand (participates in β ladder)trans-82.3125.4173.3-175.9174.860-166-3.4111Q12 V13 S17 V21 A35 E36 I38Q12-R19 WeakPolarHBondContact O-CA 3.1Å; V13-R19 HydrophobicContact CG2-CB 4.26Å; S17-R19 PolarHBondContact O-N 3.16Å; R19-V21 PolarHBondContact O-N 2.84Å; R19-A35 CarbonylContact O-C 3.59Å; R19-A35 WeakPolarHBondContact O-CA 3.47Å; R19-A35 WeakPolarHBondContact O-CB 3.27Å; R19-E36 IonicContact CZ-OE2 3.79Å; R19-E36 PolarHBondContact N-O 3.39Å; R19-E36 IonicContact NE-OE2 4Å; R19-E36 IonicContact NH2-OE2 2.76Å; R19-E36 PolarHBondContact NH2-OE2 2.81Å; R19-E36 PolarHBondContact O-N 3.21Å; R19-I38 HydrophobicContact CB-CG2 3.78Å
20F97.3Very high89.8Confident5 Ų556.3 Ų56.32%0.02235%0.353CS..EExtended strand (participates in β ladder)trans-70127.3171.9-65.9-72.9000110.9L9 L10 G11 Q12 L14 Y33 A35 V46 Y92L9-F20 HydrophobicContact CB-CD2 3.85Å; L9-F20 HydrophobicContact CB-CE2 4.08Å; L9-F20 HydrophobicContact CB-CG 4.23Å; L9-F20 HydrophobicContact CD1-CE2 4.14Å; L9-F20 HydrophobicContact CD1-CZ 4.15Å; L9-F20 HydrophobicContact CD2-CE2 4.23Å; L9-F20 HydrophobicContact CG-CE2 4.4Å; L9-F20 VanDerWaalsContact O-CB 3.27Å; L9-F20 WeakPolarHBondContact O-CB 3.24Å; L9-F20 VanDerWaalsContact O-CD2 3.28Å; L9-F20 WeakPolarHBondContact O-CD2 3.32Å; L10-F20 HydrophobicContact CD2-CB 4.32Å; G11-F20 PolarHBondContact N-O 3.46Å; Q12-F20 PolarHBondContact O-N 3.05Å; L14-F20 HydrophobicContact CB-CE2 3.71Å; L14-F20 HydrophobicContact CB-CZ 3.9Å; L14-F20 HydrophobicContact CD2-CZ 3.93Å; L14-F20 HydrophobicContact CG-CZ 4.39Å; F20-Y33 VanDerWaalsContact CD1-CB 3.48Å; F20-Y33 HydrophobicContact CD1-CD1 4.06Å; F20-Y33 HydrophobicContact CD1-CD2 4.07Å; F20-Y33 AromaticContact CD1-CG 3.61Å; F20-Y33 HydrophobicContact CD1-CG 3.61Å; F20-Y33 AromaticContact CE1-CD2 3.82Å; F20-Y33 HydrophobicContact CE1-CD2 3.82Å; F20-Y33 AromaticContact CE1-CG 3.87Å; F20-Y33 HydrophobicContact CE1-CG 3.87Å; F20-A35 HydrophobicContact CD1-CB 4.5Å; F20-V46 HydrophobicContact CE1-CB 4.08Å; F20-V46 HydrophobicContact CE1-CG1 3.91Å; F20-V46 HydrophobicContact CZ-CG1 4.42Å; F20-Y92 HydrophobicContact CE2-CE1 4.48Å; F20-Y92 HydrophobicContact CZ-CD1 4.02Å; F20-Y92 AromaticContact CZ-CE1 3.69Å; F20-Y92 HydrophobicContact CZ-CE1 3.69Å
21V97.1Very high89.8Confident59 Ų5954.4 Ų54.436%0.35834%0.343SS..EExtended strand (participates in β ladder)trans-103.5-50-175.2178.70000111.6R19 K34 E36R19-V21 PolarHBondContact O-N 2.84Å; V21-K34 HydrophobicContact CB-CD 4.41Å; V21-K34 HydrophobicContact CB-CG 4.32Å; V21-K34 HydrophobicContact CG1-CD 4.32Å; V21-K34 PolarHBondContact N-O 2.76Å; V21-E36 HydrophobicContact CG2-CB 3.8Å
22S97.1Very high89.8Confident42 Ų4253.7 Ų53.729%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-157.2158-178.2650000111.4Y33 K34S22-Y33 CarbonylContact O-C 3.56Å; S22-Y33 WeakPolarHBondContact O-CA 2.99Å; S22-K34 PolarHBondContact N-O 3.32Å; S22-K34 PolarHBondContact O-N 3.41Å
23I95.6Very high89.9Confident47 Ų4749.9 Ų49.924%0.24131%0.311CS..EExtended strand (participates in β ladder)trans-77.3132.3167.8-56.6-176.6000108.8P6 E7 L10 V31 Y33P6-I23 HydrophobicContact CB-CD1 3.71Å; P6-I23 HydrophobicContact CG-CD1 3.73Å; E7-I23 HydrophobicContact CG-CD1 4.29Å; E7-I23 VanDerWaalsContact OE1-CD1 3.24Å; E7-I23 WeakPolarHBondContact OE1-CD1 3.42Å; L10-I23 HydrophobicContact CD2-CG1 4.27Å; I23-V31 HydrophobicContact CD1-CG1 4.41Å; I23-V31 HydrophobicContact CG1-CG1 4.45Å; I23-V31 HydrophobicContact CG2-CG1 3.77Å; I23-Y33 HydrophobicContact CD1-CE1 4.21Å; I23-Y33 HydrophobicContact CG1-CD1 3.86Å; I23-Y33 HydrophobicContact CG1-CE1 3.69Å
24I93.5Very high90.1Very high77 Ų7749 Ų4940%0.39530%0.302SS..EExtended strand (participates in β ladder)trans-111.8-18.417661.2175.1000113.1V32 K34 A45 Y97I24-V32 HydrophobicContact CD1-CB 4.45Å; I24-V32 HydrophobicContact CD1-CG1 3.66Å; I24-V32 HydrophobicContact CG1-CB 3.89Å; I24-V32 HydrophobicContact CG1-CG1 3.64Å; I24-V32 VanDerWaalsContact CG1-O 3.29Å; I24-V32 WeakPolarHBondContact CG1-O 3.24Å; I24-V32 PolarHBondContact N-O 2.65Å; I24-K34 HydrophobicContact CG2-CB 3.71Å; I24-A45 HydrophobicContact CD1-CB 4.03Å; I24-Y97 HydrophobicContact CD1-CD2 4.37Å; I24-Y97 HydrophobicContact CD1-CE2 4.2Å
25G89.9Confident90.4Very high28 Ų2848.6 Ų48.629%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-166.4148.8173.100000112.1V32G25-V32 PolarHBondContact N-O 2.73Å; G25-V32 VanDerWaalsContact N-O 3.15Å; G25-V32 PolarHBondContact O-N 2.83Å
26A85.2Confident90.8Very high83 Ų8350 Ų5069%0.68630%0.3SS*.EExtended strand (participates in β ladder)trans-132.4131.9172.800000108.8V31A26-V31 HydrophobicContact CB-CG2 4.4Å
27G74.1Confident91.4Very high56 Ų5644.3 Ų44.358%0.57727%0.269SS*.EExtended strand (participates in β ladder)trans-148.9-177.8-177.900000112.6Y29 G30G27-Y29 PolarHBondContact O-N 3.4Å; G27-Y29 VanDerWaalsContact O-N 3.15Å; G27-G30 PolarHBondContact N-O 2.94Å; G27-G30 PolarHBondContact O-N 3.43Å; G27-G30 VanDerWaalsContact O-O 3.11Å
28A70.3Confident91.5Very high87 Ų8747.3 Ų47.372%0.71928%0.283SS*.THydrogen-bonded Turntrans-58.9-30.4-175.800000113.7
29Y71Confident91.5Very high148 Ų14855.9 Ų55.958%0.5832%0.317SS*.THydrogen-bonded Turntrans-90.8-12.5-175.5-58.3-72.3000114G27 L49G27-Y29 PolarHBondContact O-N 3.4Å; G27-Y29 VanDerWaalsContact O-N 3.15Å; Y29-L49 WeakPolarHBondContact O-CD2 3.37Å
30G84.6Confident91.4Very high15 Ų1555.9 Ų55.916%0.15532%0.324CS..EExtended strand (participates in β ladder)trans152.1-167.1-175.900000113.7G27 A48G27-G30 PolarHBondContact N-O 2.94Å; G27-G30 PolarHBondContact O-N 3.43Å; G27-G30 VanDerWaalsContact O-O 3.11Å; G30-A48 VanDerWaalsContact CA-O 3.3Å; G30-A48 WeakPolarHBondContact CA-O 3.45Å
31V92.3Very high91.4Very high15 Ų1557.2 Ų57.29%0.09134%0.34CS..EExtended strand (participates in β ladder)trans-118.5137.5-178.9-1760000108.9P6 I23 A26 Y33 A48P6-V31 HydrophobicContact CB-CB 4.43Å; P6-V31 HydrophobicContact CB-CG1 4.05Å; P6-V31 HydrophobicContact CB-CG2 3.97Å; I23-V31 HydrophobicContact CD1-CG1 4.41Å; I23-V31 HydrophobicContact CG1-CG1 4.45Å; I23-V31 HydrophobicContact CG2-CG1 3.77Å; A26-V31 HydrophobicContact CB-CG2 4.4Å; V31-Y33 HydrophobicContact CB-CE2 3.71Å; V31-Y33 HydrophobicContact CG1-CD1 4.48Å; V31-Y33 HydrophobicContact CG1-CD2 4.17Å; V31-Y33 HydrophobicContact CG1-CE1 3.95Å; V31-Y33 HydrophobicContact CG1-CE2 3.59Å; V31-Y33 VanDerWaalsContact CG1-CZ 3.45Å; V31-A48 PolarHBondContact N-O 2.95Å; V31-A48 PolarHBondContact O-N 2.85Å
32V94.6Very high91.4Very high39 Ų3957 Ų5724%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-106.8124.8175.8-165.90000107.9I24 G25 A45 V46 K47I24-V32 HydrophobicContact CD1-CB 4.45Å; I24-V32 HydrophobicContact CD1-CG1 3.66Å; I24-V32 HydrophobicContact CG1-CB 3.89Å; I24-V32 HydrophobicContact CG1-CG1 3.64Å; I24-V32 VanDerWaalsContact CG1-O 3.29Å; I24-V32 WeakPolarHBondContact CG1-O 3.24Å; I24-V32 PolarHBondContact N-O 2.65Å; G25-V32 PolarHBondContact N-O 2.73Å; G25-V32 VanDerWaalsContact N-O 3.15Å; G25-V32 PolarHBondContact O-N 2.83Å; V32-A45 HydrophobicContact CG1-CB 4.37Å; V32-V46 WeakPolarHBondContact CA-O 3.27Å; V32-K47 HydrophobicContact CG2-CB 4.44Å; V32-K47 HydrophobicContact CG2-CG 4.25Å
33Y96.9Very high91.4Very high0 Ų058.1 Ų58.10%034%0.341CS..EExtended strand (participates in β ladder)trans-109.3147.7178.5-58.2-93.9000110.3P6 L9 L10 F20 S22 I23 V31 A45 V46 A48P6-Y33 VanDerWaalsContact CA-OH 3.32Å; P6-Y33 WeakPolarHBondContact CA-OH 3.46Å; P6-Y33 HydrophobicContact CB-CE1 4.4Å; P6-Y33 WeakPolarHBondContact CB-OH 3.18Å; P6-Y33 WeakPolarHBondContact O-CE1 3.3Å; P6-Y33 PolarHBondContact O-OH 3.28Å; L9-Y33 HydrophobicContact CB-CE1 4.21Å; L9-Y33 HydrophobicContact CD1-CE2 3.99Å; L10-Y33 HydrophobicContact CD2-CD1 3.94Å; L10-Y33 HydrophobicContact CD2-CE1 4.26Å; F20-Y33 VanDerWaalsContact CD1-CB 3.48Å; F20-Y33 HydrophobicContact CD1-CD1 4.06Å; F20-Y33 HydrophobicContact CD1-CD2 4.07Å; F20-Y33 AromaticContact CD1-CG 3.61Å; F20-Y33 HydrophobicContact CD1-CG 3.61Å; F20-Y33 AromaticContact CE1-CD2 3.82Å; F20-Y33 HydrophobicContact CE1-CD2 3.82Å; F20-Y33 AromaticContact CE1-CG 3.87Å; F20-Y33 HydrophobicContact CE1-CG 3.87Å; S22-Y33 CarbonylContact O-C 3.56Å; S22-Y33 WeakPolarHBondContact O-CA 2.99Å; I23-Y33 HydrophobicContact CD1-CE1 4.21Å; I23-Y33 HydrophobicContact CG1-CD1 3.86Å; I23-Y33 HydrophobicContact CG1-CE1 3.69Å; V31-Y33 HydrophobicContact CB-CE2 3.71Å; V31-Y33 HydrophobicContact CG1-CD1 4.48Å; V31-Y33 HydrophobicContact CG1-CD2 4.17Å; V31-Y33 HydrophobicContact CG1-CE1 3.95Å; V31-Y33 HydrophobicContact CG1-CE2 3.59Å; V31-Y33 VanDerWaalsContact CG1-CZ 3.45Å; Y33-A45 CarbonylContact O-C 3.02Å; Y33-A45 WeakPolarHBondContact O-CA 3.19Å; Y33-V46 PolarHBondContact N-O 2.86Å; Y33-V46 PolarHBondContact O-N 2.89Å; Y33-A48 HydrophobicContact CD2-CB 4.28Å; Y33-A48 HydrophobicContact CE2-CB 3.84Å
34K97.7Very high91.5Very high48 Ų4857 Ų5721%0.20933%0.334CS..EExtended strand (participates in β ladder)trans-77.8127.7154.9179.8-175.9177.5-174.30107.5V21 S22 I24 Y44 Y97V21-K34 HydrophobicContact CB-CD 4.41Å; V21-K34 HydrophobicContact CB-CG 4.32Å; V21-K34 HydrophobicContact CG1-CD 4.32Å; V21-K34 PolarHBondContact N-O 2.76Å; S22-K34 PolarHBondContact N-O 3.32Å; S22-K34 PolarHBondContact O-N 3.41Å; I24-K34 HydrophobicContact CG2-CB 3.71Å; K34-Y44 WeakPolarHBondContact CA-O 3.43Å; K34-Y97 HydrophobicContact CB-CE2 4.37Å; K34-Y97 HydrophobicContact CD-CE1 4.5Å; K34-Y97 HydrophobicContact CD-CE2 4.39Å; K34-Y97 HydrophobicContact CG-CE2 4.14Å
35A97.9Very high91.7Very high0 Ų053.9 Ų53.90%032%0.319CS..EExtended strand (participates in β ladder)trans-123.1156.3172.700000110.4L18 R19 F20 L43 Y44 V46L18-A35 HydrophobicContact CB-CB 4.47Å; R19-A35 CarbonylContact O-C 3.59Å; R19-A35 WeakPolarHBondContact O-CA 3.47Å; R19-A35 WeakPolarHBondContact O-CB 3.27Å; F20-A35 HydrophobicContact CD1-CB 4.5Å; A35-L43 CarbonylContact O-C 3.56Å; A35-L43 WeakPolarHBondContact O-CA 3.25Å; A35-Y44 PolarHBondContact N-O 3.43Å; A35-Y44 PolarHBondContact O-N 2.93Å; A35-V46 HydrophobicContact CB-CG2 3.57Å
36E98.1Very high92Very high55 Ų5552.5 Ų52.526%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-123.8130.8175.9-179-175.2-167.400107.8R19 V21 I38 T42 L43R19-E36 IonicContact CZ-OE2 3.79Å; R19-E36 PolarHBondContact N-O 3.39Å; R19-E36 IonicContact NE-OE2 4Å; R19-E36 IonicContact NH2-OE2 2.76Å; R19-E36 PolarHBondContact NH2-OE2 2.81Å; R19-E36 PolarHBondContact O-N 3.21Å; V21-E36 HydrophobicContact CG2-CB 3.8Å; E36-I38 PolarHBondContact O-N 2.64Å; E36-T42 WeakPolarHBondContact CA-O 3.39Å; E36-L43 HydrophobicContact CB-CD2 3.88Å; E36-L43 HydrophobicContact CG-CD2 4.1Å
37D97.6Very high92.4Very high16 Ų1650.1 Ų50.19%0.08628%0.279CS..EExtended strand (participates in β ladder)trans-73.6120.4167.1-171.3-46.3000109.1S17 L18 Y39 D40 G41 T42 Y44S17-D37 WeakPolarHBondContact CB-OD1 3.36Å; S17-D37 WeakPolarHBondContact CB-OD2 3.45Å; S17-D37 WeakPolarHBondContact O-CA 3.46Å; S17-D37 VanDerWaalsContact OG-CG 3.27Å; S17-D37 PolarHBondContact OG-OD2 2.96Å; L18-D37 HydrophobicContact CD2-CB 4.09Å; D37-Y39 PolarHBondContact O-N 3.32Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.46Å; D37-Y39 PolarHBondContact OD1-N 2.89Å; D37-D40 WeakPolarHBondContact CB-OD1 3.38Å; D37-G41 VanDerWaalsContact O-CA 3.25Å; D37-G41 WeakPolarHBondContact O-CA 3.38Å; D37-G41 PolarHBondContact O-N 2.87Å; D37-T42 PolarHBondContact N-O 2.84Å; D37-Y44 HydrophobicContact CB-CD2 4.45Å; D37-Y44 HydrophobicContact CB-CE2 3.92Å
38I96.7Very high93.4Very high74 Ų7447.5 Ų47.538%0.37925%0.253SS..THydrogen-bonded Turntrans-67.3-16.5-173.463.9-176.2000113.8S17 R19 E36S17-I38 WeakPolarHBondContact O-CG1 3.48Å; S17-I38 WeakPolarHBondContact O-CG2 3.3Å; S17-I38 PolarHBondContact O-N 3.28Å; R19-I38 HydrophobicContact CB-CG2 3.78Å; E36-I38 PolarHBondContact O-N 2.64Å
39Y96.2Very high94.3Very high179 Ų17943.6 Ų43.670%0.70222%0.219SC*.THydrogen-bonded Turntrans-87.8-40.5-176.8-66.8-67.4000112.7D37D37-Y39 PolarHBondContact O-N 3.32Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.46Å; D37-Y39 PolarHBondContact OD1-N 2.89Å
40D96Very high95.1Very high100 Ų10037 Ų3754%0.53520%0.195SC..THydrogen-bonded Turntrans-118.4-6.9-175.171.6-3.3000114D37 T42D37-D40 WeakPolarHBondContact CB-OD1 3.38Å; D40-T42 PolarHBondContact O-N 3.22Å; D40-T42 WeakPolarHBondContact OD1-CB 3.41Å; D40-T42 PolarHBondContact OD1-N 3.37Å; D40-T42 PolarHBondContact OD1-OG1 2.84Å; D40-T42 VanDerWaalsContact OD1-OG1 3.06Å; D40-T42 PolarHBondContact OD2-OG1 3.29Å
41G96.2Very high95.1Very high34 Ų3438.8 Ų38.835%0.35120%0.199SC..  trans74.29.4-177.800000113.8D37 L43D37-G41 VanDerWaalsContact O-CA 3.25Å; D37-G41 WeakPolarHBondContact O-CA 3.38Å; D37-G41 PolarHBondContact O-N 2.87Å; G41-L43 PolarHBondContact O-N 3.43Å
42T97.1Very high94.7Very high54 Ų5441.7 Ų41.733%0.33121%0.214SC..  trans-66.5130.5-179.3-62.50000110.1E36 D37 D40 Y44E36-T42 WeakPolarHBondContact CA-O 3.39Å; D37-T42 PolarHBondContact N-O 2.84Å; D40-T42 PolarHBondContact O-N 3.22Å; D40-T42 WeakPolarHBondContact OD1-CB 3.41Å; D40-T42 PolarHBondContact OD1-N 3.37Å; D40-T42 PolarHBondContact OD1-OG1 2.84Å; D40-T42 VanDerWaalsContact OD1-OG1 3.06Å; D40-T42 PolarHBondContact OD2-OG1 3.29Å; T42-Y44 HydrophobicContact CG2-CD2 4.33Å; T42-Y44 HydrophobicContact CG2-CE1 4.06Å; T42-Y44 HydrophobicContact CG2-CE2 3.6Å; T42-Y44 VanDerWaalsContact CG2-CZ 3.44Å; T42-Y44 WeakPolarHBondContact CG2-OH 3.49Å; T42-Y44 WeakPolarHBondContact O-CD2 3.34Å
43L97.9Very high94Very high65 Ų6543.5 Ų43.534%0.3424%0.24SC..EExtended strand (participates in β ladder)trans-89.5135.7179.4-63.9177000111.5A35 E36 G41 Y97A35-L43 CarbonylContact O-C 3.56Å; A35-L43 WeakPolarHBondContact O-CA 3.25Å; E36-L43 HydrophobicContact CB-CD2 3.88Å; E36-L43 HydrophobicContact CG-CD2 4.1Å; G41-L43 PolarHBondContact O-N 3.43Å; L43-Y97 HydrophobicContact CB-CD1 3.72Å; L43-Y97 HydrophobicContact CB-CE1 4.41Å; L43-Y97 HydrophobicContact CB-CG 4.25Å; L43-Y97 HydrophobicContact CD1-CD1 4.12Å; L43-Y97 HydrophobicContact CD1-CE1 4.05Å; L43-Y97 WeakPolarHBondContact O-CB 3.25Å
44Y97.8Very high93.4Very high25 Ų2544.4 Ų44.410%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-128.3154.2178.9-63.8-77.9000111.6L18 K34 A35 D37 T42 H82 V94L18-Y44 HydrophobicContact CD2-CD2 3.58Å; L18-Y44 HydrophobicContact CD2-CE2 4.05Å; L18-Y44 HydrophobicContact CD2-CG 4.37Å; K34-Y44 WeakPolarHBondContact CA-O 3.43Å; A35-Y44 PolarHBondContact N-O 3.43Å; A35-Y44 PolarHBondContact O-N 2.93Å; D37-Y44 HydrophobicContact CB-CD2 4.45Å; D37-Y44 HydrophobicContact CB-CE2 3.92Å; T42-Y44 HydrophobicContact CG2-CD2 4.33Å; T42-Y44 HydrophobicContact CG2-CE1 4.06Å; T42-Y44 HydrophobicContact CG2-CE2 3.6Å; T42-Y44 VanDerWaalsContact CG2-CZ 3.44Å; T42-Y44 WeakPolarHBondContact CG2-OH 3.49Å; T42-Y44 WeakPolarHBondContact O-CD2 3.34Å; Y44-H82 AromaticContact CD1-CD2 3.77Å; Y44-H82 HydrophobicContact CE1-CB 4.45Å; Y44-H82 AromaticContact CE1-CD2 3.63Å; Y44-H82 AromaticContact CE1-CG 3.8Å; Y44-H82 AromaticContact CE1-NE2 3.78Å; Y44-V94 HydrophobicContact CD1-CG1 3.76Å; Y44-V94 HydrophobicContact CE1-CG1 4.43Å; Y44-V94 HydrophobicContact CG-CG1 3.83Å
45A97.2Very high92.9Very high10 Ų1046.2 Ų46.28%0.08326%0.257CS..EExtended strand (participates in β ladder)trans-97.4123.3163.700000108I24 V32 Y33 L95 Y97I24-A45 HydrophobicContact CD1-CB 4.03Å; V32-A45 HydrophobicContact CG1-CB 4.37Å; Y33-A45 CarbonylContact O-C 3.02Å; Y33-A45 WeakPolarHBondContact O-CA 3.19Å; A45-L95 HydrophobicContact CB-CB 4.27Å; A45-L95 PolarHBondContact N-O 2.97Å; A45-L95 WeakPolarHBondContact O-CA 3.39Å; A45-L95 WeakPolarHBondContact O-CB 3.48Å; A45-L95 PolarHBondContact O-N 3.18Å; A45-Y97 HydrophobicContact CB-CD2 4.31Å
46V96.6Very high92.4Very high0 Ų051.7 Ų51.70%028%0.282CS..EExtended strand (participates in β ladder)trans-112.1109.1-179.6-178.70000108.9L14 L18 F20 V32 Y33 A35 A48 Y92 V93 V94L14-V46 HydrophobicContact CD2-CG1 4.13Å; L18-V46 HydrophobicContact CD1-CG2 4.5Å; F20-V46 HydrophobicContact CE1-CB 4.08Å; F20-V46 HydrophobicContact CE1-CG1 3.91Å; F20-V46 HydrophobicContact CZ-CG1 4.42Å; V32-V46 WeakPolarHBondContact CA-O 3.27Å; Y33-V46 PolarHBondContact N-O 2.86Å; Y33-V46 PolarHBondContact O-N 2.89Å; A35-V46 HydrophobicContact CB-CG2 3.57Å; V46-A48 PolarHBondContact O-N 3.39Å; V46-Y92 HydrophobicContact CG1-CD1 3.9Å; V46-Y92 HydrophobicContact CG1-CG 4.4Å; V46-V93 WeakPolarHBondContact CA-O 3.48Å; V46-V94 HydrophobicContact CG2-CG2 4.45Å
47K94.5Very high92Very high32 Ų3256.5 Ų56.514%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-85.9108.2174.2-174.1178.2-170.1-178.40108.7V32 L49 E65 Y92 V93 L95V32-K47 HydrophobicContact CG2-CB 4.44Å; V32-K47 HydrophobicContact CG2-CG 4.25Å; K47-L49 HydrophobicContact CD-CD2 4.19Å; K47-L49 HydrophobicContact CG-CD2 4.03Å; K47-L49 HydrophobicContact CG-CG 4.39Å; K47-E65 IonicContact NZ-OE1 3.85Å; K47-E65 PolarHBondContact NZ-OE1 3.06Å; K47-E65 IonicContact NZ-OE2 2.83Å; K47-Y92 WeakPolarHBondContact O-CA 3.34Å; K47-V93 HydrophobicContact CB-CB 4.29Å; K47-V93 PolarHBondContact N-O 3.21Å; K47-V93 PolarHBondContact O-N 3.18Å; K47-L95 HydrophobicContact CB-CD1 4.41Å
48A93.5Very high91.5Very high2 Ų259.4 Ų59.42%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-91.411417700000110.5M2 G30 V31 Y33 V46 Y92M2-A48 HydrophobicContact SD-CB 3.76Å; G30-A48 VanDerWaalsContact CA-O 3.3Å; G30-A48 WeakPolarHBondContact CA-O 3.45Å; V31-A48 PolarHBondContact N-O 2.95Å; V31-A48 PolarHBondContact O-N 2.85Å; Y33-A48 HydrophobicContact CD2-CB 4.28Å; Y33-A48 HydrophobicContact CE2-CB 3.84Å; V46-A48 PolarHBondContact O-N 3.39Å; A48-Y92 HydrophobicContact CB-CD1 3.7Å; A48-Y92 HydrophobicContact CB-CE1 3.81Å
49L90.5Very high91.1Very high4 Ų460.3 Ų60.32%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-104.1110.7-179.7-58.8174.7000108.9Y29 K47 A90 I91 V93Y29-L49 WeakPolarHBondContact O-CD2 3.37Å; K47-L49 HydrophobicContact CD-CD2 4.19Å; K47-L49 HydrophobicContact CG-CD2 4.03Å; K47-L49 HydrophobicContact CG-CG 4.39Å; L49-A90 CarbonylContact O-C 3.54Å; L49-A90 VanDerWaalsContact O-CA 3.25Å; L49-A90 WeakPolarHBondContact O-CA 3.14Å; L49-A90 WeakPolarHBondContact O-CB 3.29Å; L49-I91 HydrophobicContact CB-CB 4.28Å; L49-I91 WeakPolarHBondContact CB-O 3.11Å; L49-I91 PolarHBondContact N-O 2.93Å; L49-I91 PolarHBondContact O-N 3.22Å; L49-V93 HydrophobicContact CD1-CG2 4.08Å
50C86.9Confident90.8Very high11 Ų1158.9 Ų58.97%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-72.3133.1179.6-176.70000111D52 L54C50-D52 PolarHBondContact SG-N 2.77Å; C50-D52 VanDerWaalsContact SG-N 3.43Å; C50-L54 VanDerWaalsContact O-CD1 3.27Å; C50-L54 WeakPolarHBondContact O-CD1 3.36Å
51K85.8Confident90.5Very high52 Ų5258.1 Ų58.123%0.22631%0.31CS..  trans-81.9-24.4175-67.4171.8169.7-174.90112.5L54 E86 T87 E88 D89 I91K51-L54 WeakPolarHBondContact O-CG 3.43Å; K51-L54 PolarHBondContact O-N 2.89Å; K51-E86 WeakPolarHBondContact CE-OE1 3.48Å; K51-E86 IonicContact NZ-OE1 2.65Å; K51-E86 PolarHBondContact NZ-OE1 3.15Å; K51-T87 WeakPolarHBondContact CE-O 3.5Å; K51-T87 PolarHBondContact NZ-O 2.77Å; K51-E88 VanDerWaalsContact CD-O 3.24Å; K51-E88 WeakPolarHBondContact CD-O 3.24Å; K51-D89 WeakPolarHBondContact CB-O 3.4Å; K51-D89 PolarHBondContact N-O 2.9Å; K51-I91 HydrophobicContact CG-CG1 4.45Å
52D82.5Confident90.1Very high76 Ų7657.3 Ų57.341%0.40630%0.297SS..THydrogen-bonded Turntrans-65.9133.4-175.1-59.1-30.3000112.7R3 C50 L54R3-D52 PolarHBondContact NH1-O 2.87Å; C50-D52 PolarHBondContact SG-N 2.77Å; C50-D52 VanDerWaalsContact SG-N 3.43Å; D52-L54 PolarHBondContact O-N 2.84Å
53G81.1Confident89.9Confident77 Ų7757.2 Ų57.279%0.79430%0.302SS*.THydrogen-bonded Turntrans71.39.9177.100000114.6
54L83.2Confident89.7Confident18 Ų1858 Ų589%0.09430%0.3CS..  trans-80.3128.9174.6-60.6-173.6000111.4C50 K51 D52 Q58 K59 Q62C50-L54 VanDerWaalsContact O-CD1 3.27Å; C50-L54 WeakPolarHBondContact O-CD1 3.36Å; K51-L54 WeakPolarHBondContact O-CG 3.43Å; K51-L54 PolarHBondContact O-N 2.89Å; D52-L54 PolarHBondContact O-N 2.84Å; L54-Q58 HydrophobicContact CB-CB 4.12Å; L54-Q58 HydrophobicContact CD2-CB 3.99Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; L54-K59 HydrophobicContact CB-CG 3.84Å; L54-K59 HydrophobicContact CD1-CG 4.27Å; L54-K59 WeakPolarHBondContact O-CE 3.2Å; L54-Q62 VanDerWaalsContact CD1-CD 3.46Å
55N87.5Confident89.5Confident86 Ų8658 Ų5846%0.4630%0.301SS..  trans-74.2165.1165.866.338.4000111.1K57 Q58 K59N55-K57 PolarHBondContact O-N 3.3Å; N55-K57 VanDerWaalsContact O-N 3.12Å; N55-K57 WeakPolarHBondContact OD1-CB 3.36Å; N55-K57 PolarHBondContact OD1-N 3.46Å; N55-K57 VanDerWaalsContact OD1-N 3.15Å; N55-Q58 PolarHBondContact ND2-OE1 3.15Å; N55-Q58 PolarHBondContact O-N 2.85Å; N55-Q58 WeakPolarHBondContact OD1-CG 3.4Å; N55-Q58 PolarHBondContact OD1-N 3.45Å; N55-Q58 PolarHBondContact OD1-OE1 2.86Å; N55-K59 PolarHBondContact O-N 3.36Å
56E88.4Confident89.4Confident115 Ų11558.8 Ų58.854%0.53730%0.303SS..Hα-helixtrans-57.5-30.2-178.8-68.6-54.8124.100113.5K59 K60E56-K59 IonicContact OE1-NZ 2.83Å; E56-K59 PolarHBondContact OE1-NZ 2.84Å; E56-K60 WeakPolarHBondContact O-CB 3.34Å; E56-K60 VanDerWaalsContact O-CG 3.26Å; E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 3.48Å; E56-K60 VanDerWaalsContact O-N 3.13Å
57K88.3Confident89.4Confident156 Ų15661.2 Ų61.268%0.67832%0.324SS*.Hα-helixtrans-67.6-44175.1-176-178.7178.5-1790111.2N55 K60 L61N55-K57 PolarHBondContact O-N 3.3Å; N55-K57 VanDerWaalsContact O-N 3.12Å; N55-K57 WeakPolarHBondContact OD1-CB 3.36Å; N55-K57 PolarHBondContact OD1-N 3.46Å; N55-K57 VanDerWaalsContact OD1-N 3.15Å; K57-K60 PolarHBondContact O-N 3.47Å; K57-L61 HydrophobicContact CG-CD1 4.42Å; K57-L61 WeakPolarHBondContact O-CG 3.41Å; K57-L61 PolarHBondContact O-N 3.2Å
58Q87.1Confident89.6Confident78 Ų7860.2 Ų60.236%0.36432%0.32SS..Hα-helixtrans-67.6-41.3179-71.7167.1-48.900112L54 N55 K60 L61 Q62L54-Q58 HydrophobicContact CB-CB 4.12Å; L54-Q58 HydrophobicContact CD2-CB 3.99Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; N55-Q58 PolarHBondContact ND2-OE1 3.15Å; N55-Q58 PolarHBondContact O-N 2.85Å; N55-Q58 WeakPolarHBondContact OD1-CG 3.4Å; N55-Q58 PolarHBondContact OD1-N 3.45Å; N55-Q58 PolarHBondContact OD1-OE1 2.86Å; Q58-K60 VanDerWaalsContact C-N 3.33Å; Q58-K60 PolarHBondContact O-N 3Å; Q58-L61 PolarHBondContact O-N 3.12Å; Q58-Q62 PolarHBondContact O-N 2.77Å
59K88.1Confident89.8Confident93 Ų9360.7 Ų60.740%0.40432%0.322SS..Hα-helixtrans-58.2-45.2173.7-66.2-179.9-171.71670111.5L54 N55 E56 L61 Q62 A63L54-K59 HydrophobicContact CB-CG 3.84Å; L54-K59 HydrophobicContact CD1-CG 4.27Å; L54-K59 WeakPolarHBondContact O-CE 3.2Å; N55-K59 PolarHBondContact O-N 3.36Å; E56-K59 IonicContact OE1-NZ 2.83Å; E56-K59 PolarHBondContact OE1-NZ 2.84Å; K59-L61 VanDerWaalsContact C-N 3.34Å; K59-L61 PolarHBondContact O-N 3.46Å; K59-Q62 PolarHBondContact O-N 2.85Å; K59-A63 WeakPolarHBondContact O-CB 3.37Å; K59-A63 PolarHBondContact O-N 3.47Å
60K90.1Very high90.1Very high148 Ų14861.9 Ų61.964%0.64333%0.332SS*.Hα-helixtrans-62.5-38.5175.6-74.5176.4-177.5-176.10112.7E56 K57 Q58 R64E56-K60 WeakPolarHBondContact O-CB 3.34Å; E56-K60 VanDerWaalsContact O-CG 3.26Å; E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 3.48Å; E56-K60 VanDerWaalsContact O-N 3.13Å; K57-K60 PolarHBondContact O-N 3.47Å; Q58-K60 VanDerWaalsContact C-N 3.33Å; Q58-K60 PolarHBondContact O-N 3Å; K60-R64 WeakPolarHBondContact O-CB 3.37Å; K60-R64 PolarHBondContact O-N 3.15Å
61L89.5Confident90.6Very high85 Ų8566 Ų6645%0.44535%0.346SS..Hα-helixtrans-65.3-43.8176.4-72.9170.8000111.9K57 Q58 K59 R64 E65K57-L61 HydrophobicContact CG-CD1 4.42Å; K57-L61 WeakPolarHBondContact O-CG 3.41Å; K57-L61 PolarHBondContact O-N 3.2Å; Q58-L61 PolarHBondContact O-N 3.12Å; K59-L61 VanDerWaalsContact C-N 3.34Å; K59-L61 PolarHBondContact O-N 3.46Å; L61-R64 PolarHBondContact O-N 3.03Å; L61-E65 PolarHBondContact O-N 2.76Å
62Q89Confident91.2Very high17 Ų1763.5 Ų63.58%0.07934%0.336CS..Hα-helixtrans-62.9-47.5175.8-74.9-178.3-18.900112.2L54 Q58 K59 R64 E65 L66L54-Q62 VanDerWaalsContact CD1-CD 3.46Å; Q58-Q62 PolarHBondContact O-N 2.77Å; K59-Q62 PolarHBondContact O-N 2.85Å; Q62-R64 VanDerWaalsContact C-N 3.26Å; Q62-R64 PolarHBondContact O-N 2.87Å; Q62-E65 PolarHBondContact O-N 2.81Å; Q62-L66 PolarHBondContact O-N 3.49Å; Q62-L66 VanDerWaalsContact O-N 3.09Å
63A91.8Very high91.9Very high52 Ų5260.5 Ų60.543%0.4332%0.32SS..Hα-helixtrans-60.9-38.1177.200000111.7K59 A67K59-A63 WeakPolarHBondContact O-CB 3.37Å; K59-A63 PolarHBondContact O-N 3.47Å; A63-A67 VanDerWaalsContact O-CB 3.3Å; A63-A67 WeakPolarHBondContact O-CB 3.26Å; A63-A67 PolarHBondContact O-N 2.92Å
64R94.4Very high92.7Very high82 Ų8261.9 Ų61.931%0.30932%0.318SS..Hα-helixtrans-64.4-50.3175.2-176.5-174.2-170.6-167.78.1111.8K60 L61 Q62 L66 A67 L68 T167K60-R64 WeakPolarHBondContact O-CB 3.37Å; K60-R64 PolarHBondContact O-N 3.15Å; L61-R64 PolarHBondContact O-N 3.03Å; Q62-R64 VanDerWaalsContact C-N 3.26Å; Q62-R64 PolarHBondContact O-N 2.87Å; R64-L66 VanDerWaalsContact C-N 3.27Å; R64-L66 PolarHBondContact O-N 2.84Å; R64-A67 PolarHBondContact O-N 2.82Å; R64-L68 HydrophobicContact CG-CD1 3.95Å; R64-L68 HydrophobicContact CG-CG 4.17Å; R64-L68 VanDerWaalsContact O-CG 3.28Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 3.41Å; R64-T167 PolarHBondContact NH2-OG1 2.91Å
65E94.3Very high93.4Very high24 Ų2462.2 Ų62.211%0.11232%0.319CS..Hα-helixtrans-51.5-50.2177.6176.1-175.6160.400110.5K47 L61 Q62 L68 H69K47-E65 IonicContact NZ-OE1 3.85Å; K47-E65 PolarHBondContact NZ-OE1 3.06Å; K47-E65 IonicContact NZ-OE2 2.83Å; L61-E65 PolarHBondContact O-N 2.76Å; Q62-E65 PolarHBondContact O-N 2.81Å; E65-L68 PolarHBondContact O-N 3.42Å; E65-H69 WeakPolarHBondContact O-CB 3.36Å; E65-H69 PolarHBondContact O-N 2.78Å
66L94.6Very high93.9Very high26 Ų2662 Ų6214%0.13632%0.322CS..Hα-helixtrans-62.3-46.818017760.2000112.5Q62 R64 L68 H69 A70 L81 V84 V93Q62-L66 PolarHBondContact O-N 3.49Å; Q62-L66 VanDerWaalsContact O-N 3.09Å; R64-L66 VanDerWaalsContact C-N 3.27Å; R64-L66 PolarHBondContact O-N 2.84Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.44Å; L66-H69 PolarHBondContact O-N 2.77Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3.01Å; L66-L81 HydrophobicContact CD1-CD1 3.42Å; L66-L81 VanDerWaalsContact CD1-CD1 3.42Å; L66-V84 HydrophobicContact CD1-CG2 3.53Å; L66-V84 HydrophobicContact CD2-CB 4.43Å; L66-V84 HydrophobicContact CD2-CG1 3.82Å; L66-V84 HydrophobicContact CD2-CG2 3.86Å; L66-V84 HydrophobicContact CG-CG2 4.22Å; L66-V93 HydrophobicContact CD1-CG1 4.17Å; L66-V93 HydrophobicContact CD1-CG2 4.29Å
67A96.7Very high94.4Very high52 Ų5260 Ų6043%0.4331%0.31SS..Hα-helixtrans-63.7-38.3179.500000112.5A63 R64 R71A63-A67 VanDerWaalsContact O-CB 3.3Å; A63-A67 WeakPolarHBondContact O-CB 3.26Å; A63-A67 PolarHBondContact O-N 2.92Å; R64-A67 PolarHBondContact O-N 2.82Å; A67-R71 WeakPolarHBondContact O-CG 3.34Å; A67-R71 PolarHBondContact O-N 3.41Å
68L98Very high94.9Very high10 Ų1052.6 Ų52.65%0.05228%0.278CS..Hα-helixtrans-69.9-44.8177.3-65.3-177000111.4R64 E65 L66 R71 I139 A166 T168R64-L68 HydrophobicContact CG-CD1 3.95Å; R64-L68 HydrophobicContact CG-CG 4.17Å; R64-L68 VanDerWaalsContact O-CG 3.28Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 3.41Å; E65-L68 PolarHBondContact O-N 3.42Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.44Å; L68-R71 PolarHBondContact O-N 3.35Å; L68-I139 HydrophobicContact CB-CD1 4.33Å; L68-I139 HydrophobicContact CD2-CD1 4Å; L68-I139 HydrophobicContact CD2-CG1 4.12Å; L68-A166 HydrophobicContact CD1-CB 3.82Å; L68-T168 HydrophobicContact CD2-CG2 3.65Å
69H97.8Very high95.4Very high12 Ų1249.1 Ų49.16%0.05626%0.262CS..Hα-helixtrans-61.2-46177.2-171178.8000111.2E65 L66 R71 V72 S73 I79 L81 F163E65-H69 WeakPolarHBondContact O-CB 3.36Å; E65-H69 PolarHBondContact O-N 2.78Å; L66-H69 PolarHBondContact O-N 2.77Å; H69-R71 PolarHBondContact O-N 2.98Å; H69-R71 VanDerWaalsContact O-N 3.16Å; H69-V72 WeakPolarHBondContact O-CG2 3.45Å; H69-V72 PolarHBondContact O-N 2.91Å; H69-S73 WeakPolarHBondContact O-CB 3.46Å; H69-S73 PolarHBondContact O-N 3.49Å; H69-I79 PolarHBondContact NE2-O 3.13Å; H69-L81 HydrophobicContact CB-CD1 4.45Å; H69-F163 HydrophobicContact CB-CB 4.36Å; H69-F163 HydrophobicContact CB-CD2 3.78Å; H69-F163 HydrophobicContact CB-CE2 4.45Å; H69-F163 HydrophobicContact CB-CG 4.22Å; H69-F163 AromaticContact CD2-CD2 3.79Å; H69-F163 AromaticContact CD2-CE2 3.65Å; H69-F163 AromaticContact CG-CD2 3.63Å; H69-F163 AromaticContact CG-CE2 3.99Å
70A97.3Very high95.9Very high30 Ų3047 Ų4725%0.24826%0.257CS..Hα-helixtrans-56.1-34.8178.500000113.2L66 V72L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3.01Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 PolarHBondContact O-N 3.33Å
71R97.8Very high96.2Very high97 Ų9741.3 Ų41.337%0.36623%0.233SC..Hα-helixtrans-70-23.8179.3-75.8175.862-175.5-4.2114.6A67 L68 H69 V137 I139A67-R71 WeakPolarHBondContact O-CG 3.34Å; A67-R71 PolarHBondContact O-N 3.41Å; L68-R71 PolarHBondContact O-N 3.35Å; H69-R71 PolarHBondContact O-N 2.98Å; H69-R71 VanDerWaalsContact O-N 3.16Å; R71-V137 PolarHBondContact NH2-O 2.82Å; R71-I139 HydrophobicContact CB-CD1 3.9Å
72V98.1Very high96.5Very high0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-111.4-6.8-177.8-63.60000113H69 A70 S74 H75 I78 C134 V137 I139 F163H69-V72 WeakPolarHBondContact O-CG2 3.45Å; H69-V72 PolarHBondContact O-N 2.91Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 PolarHBondContact O-N 3.33Å; V72-S74 PolarHBondContact O-N 3.45Å; V72-H75 PolarHBondContact O-N 3.18Å; V72-I78 HydrophobicContact CB-CD1 3.77Å; V72-I78 HydrophobicContact CG2-CD1 4.01Å; V72-I78 HydrophobicContact CG2-CG2 4.25Å; V72-I78 WeakPolarHBondContact O-CD1 3.22Å; V72-C134 HydrophobicContact CG1-CB 4.44Å; V72-V137 HydrophobicContact CG1-CG2 3.59Å; V72-I139 HydrophobicContact CG1-CB 4.45Å; V72-I139 HydrophobicContact CG1-CD1 3.72Å; V72-F163 HydrophobicContact CG2-CD1 4.42Å; V72-F163 HydrophobicContact CG2-CE1 3.69Å; V72-F163 HydrophobicContact CG2-CE2 4.06Å; V72-F163 HydrophobicContact CG2-CZ 3.49Å; V72-F163 VanDerWaalsContact CG2-CZ 3.49Å
73S97.6Very high96.8Very high13 Ų1344.8 Ų44.89%0.09124%0.244CC..THydrogen-bonded Turntrans-62-14.9-173.6-179.70000114.7H69 H75 L81H69-S73 WeakPolarHBondContact O-CB 3.46Å; H69-S73 PolarHBondContact O-N 3.49Å; S73-H75 PolarHBondContact O-N 2.94Å; S73-L81 PolarHBondContact OG-N 3.35Å
74S96.5Very high97Very high105 Ų10544 Ų4473%0.73423%0.233SC*.THydrogen-bonded Turntrans-75.3-11.8178.554.40000113.7V72V72-S74 PolarHBondContact O-N 3.45Å
75H98.5Very high96.9Very high25 Ų2541.2 Ų41.212%0.11622%0.224CC..SBendtrans-78.5136.4-176.8-169.5-91.4000111.9V72 S73 Y77 I78 S129 A130 H133V72-H75 PolarHBondContact O-N 3.18Å; S73-H75 PolarHBondContact O-N 2.94Å; H75-Y77 AromaticContact CE1-CD2 3.71Å; H75-Y77 PolarHBondContact ND1-N 3.36Å; H75-Y77 PolarHBondContact O-N 3.3Å; H75-I78 HydrophobicContact CB-CB 4.29Å; H75-I78 HydrophobicContact CB-CD1 3.81Å; H75-I78 HydrophobicContact CB-CG1 3.98Å; H75-I78 PolarHBondContact O-N 3.49Å; H75-I78 VanDerWaalsContact O-N 3.11Å; H75-S129 PolarHBondContact CE1-OG 3.44Å; H75-S129 VanDerWaalsContact CE1-OG 3.25Å; H75-S129 PolarHBondContact NE2-O 2.98Å; H75-S129 PolarHBondContact NE2-OG 3.09Å; H75-S129 VanDerWaalsContact NE2-OG 3.12Å; H75-A130 PolarHBondContact CE1-N 3.26Å; H75-H133 HydrophobicContact CB-CB 4.44Å; H75-H133 VanDerWaalsContact CB-CD2 3.49Å; H75-H133 WeakPolarHBondContact CB-CD2 3.49Å; H75-H133 WeakPolarHBondContact CD2-CB 3.46Å; H75-H133 AromaticContact CD2-CD2 3.98Å; H75-H133 AromaticContact CD2-CG 3.5Å; H75-H133 VanDerWaalsContact CD2-CG 3.5Å; H75-H133 AromaticContact CG-CD2 3.91Å; H75-H133 AromaticContact CG-CG 3.88Å
76P97.9Very high96.8Very high83 Ų8342.3 Ų42.354%0.53923%0.23SC..THydrogen-bonded Turntrans-64.1-18.3-172.924.8-36.6000115.2Y159P76-Y159 WeakPolarHBondContact O-CD1 3.28Å; P76-Y159 WeakPolarHBondContact O-CE1 3.21Å
77Y98.7Very high96.6Very high72 Ų7241.7 Ų41.728%0.28223%0.227SC..THydrogen-bonded Turntrans-112.223.9180-51.9-49.3000112.8H75 Q126 A130 T157 Y159 L160H75-Y77 AromaticContact CE1-CD2 3.71Å; H75-Y77 PolarHBondContact ND1-N 3.36Å; H75-Y77 PolarHBondContact O-N 3.3Å; Y77-Q126 HydrophobicContact CD1-CB 3.92Å; Y77-Q126 HydrophobicContact CD1-CG 3.89Å; Y77-Q126 HydrophobicContact CD2-CB 3.68Å; Y77-Q126 HydrophobicContact CD2-CG 3.96Å; Y77-Q126 HydrophobicContact CE1-CB 4.19Å; Y77-Q126 HydrophobicContact CE1-CG 3.64Å; Y77-Q126 HydrophobicContact CE2-CB 3.97Å; Y77-Q126 HydrophobicContact CE2-CG 3.72Å; Y77-Q126 HydrophobicContact CG-CB 3.68Å; Y77-Q126 HydrophobicContact CG-CG 4.07Å; Y77-A130 WeakPolarHBondContact O-CB 3.33Å; Y77-T157 HydrophobicContact CD1-CG2 4.42Å; Y77-T157 HydrophobicContact CE1-CG2 4.42Å; Y77-Y159 WeakPolarHBondContact O-CA 3.43Å; Y77-L160 PolarHBondContact O-N 2.87Å
78I98.7Very high96.1Very high0 Ų047.9 Ų47.90%025%0.247CC..BIsolated β-bridgetrans-120.4140.7170.7-63.2-178.8000107.2V72 H75 T80 A130 C134 L160 F163V72-I78 HydrophobicContact CB-CD1 3.77Å; V72-I78 HydrophobicContact CG2-CD1 4.01Å; V72-I78 HydrophobicContact CG2-CG2 4.25Å; V72-I78 WeakPolarHBondContact O-CD1 3.22Å; H75-I78 HydrophobicContact CB-CB 4.29Å; H75-I78 HydrophobicContact CB-CD1 3.81Å; H75-I78 HydrophobicContact CB-CG1 3.98Å; H75-I78 PolarHBondContact O-N 3.49Å; H75-I78 VanDerWaalsContact O-N 3.11Å; I78-T80 PolarHBondContact O-N 2.76Å; I78-T80 VanDerWaalsContact O-N 3.16Å; I78-A130 HydrophobicContact CD1-CB 4.43Å; I78-A130 HydrophobicContact CG1-CB 3.88Å; I78-C134 VanDerWaalsContact CD1-SG 3.59Å; I78-L160 HydrophobicContact CG1-CB 4.31Å; I78-F163 HydrophobicContact CD1-CZ 4.45Å; I78-F163 HydrophobicContact CG2-CE2 3.93Å; I78-F163 HydrophobicContact CG2-CZ 3.94Å
79I98.2Very high95.6Very high6 Ų651.7 Ų51.73%0.03127%0.267CS..  trans-55124177.4-76.1-64.6000109.3H69 L81 L95 Q96 C98 M150 Y159 L160 A161H69-I79 PolarHBondContact NE2-O 3.13Å; I79-L81 PolarHBondContact O-N 3.13Å; I79-L95 HydrophobicContact CG2-CB 3.95Å; I79-L95 HydrophobicContact CG2-CD1 4.47Å; I79-L95 HydrophobicContact CG2-CD2 4.2Å; I79-L95 HydrophobicContact CG2-CG 4.44Å; I79-Q96 HydrophobicContact CD1-CB 4.31Å; I79-Q96 HydrophobicContact CD1-CG 4.5Å; I79-Q96 HydrophobicContact CG2-CB 4.27Å; I79-C98 VanDerWaalsContact CD1-SG 3.52Å; I79-M150 HydrophobicContact CD1-CB 3.97Å; I79-M150 HydrophobicContact CD1-CG 3.85Å; I79-M150 HydrophobicContact CG1-CB 4.48Å; I79-M150 HydrophobicContact CG1-CG 3.99Å; I79-Y159 HydrophobicContact CD1-CG 4.07Å; I79-L160 PolarHBondContact N-O 2.63Å; I79-A161 HydrophobicContact CB-CB 4.41Å; I79-A161 HydrophobicContact CG1-CB 3.76Å
80T97.9Very high95.2Very high48 Ų4851.1 Ų51.129%0.29427%0.265SS..  trans-69.4127.4179.5-58.40000110.1I78 L95 Q96I78-T80 PolarHBondContact O-N 2.76Å; I78-T80 VanDerWaalsContact O-N 3.16Å; T80-L95 CarbonylContact O-C 3.52Å; T80-L95 WeakPolarHBondContact O-CA 3.49Å; T80-Q96 PolarHBondContact O-N 2.85Å
81L97.5Very high95Very high29 Ų2951 Ų5115%0.15226%0.259CS..EExtended strand (participates in β ladder)trans-89106.1165.7-173.9145.5000108.2L66 H69 S73 I79 V84 V93 L95L66-L81 HydrophobicContact CD1-CD1 3.42Å; L66-L81 VanDerWaalsContact CD1-CD1 3.42Å; H69-L81 HydrophobicContact CB-CD1 4.45Å; S73-L81 PolarHBondContact OG-N 3.35Å; I79-L81 PolarHBondContact O-N 3.13Å; L81-V84 HydrophobicContact CD2-CG2 4.1Å; L81-V93 HydrophobicContact CD1-CG1 3.7Å; L81-V93 HydrophobicContact CG-CG1 4.12Å; L81-L95 HydrophobicContact CB-CD2 4.12Å; L81-L95 HydrophobicContact CD1-CD2 4.35Å; L81-L95 HydrophobicContact CG-CD2 4.22Å
82H96.2Very high94.9Very high94 Ų9446.6 Ų46.644%0.43524%0.243SC..EExtended strand (participates in β ladder)trans-79.8-49.1-175.7-72.7-81.3000112Y44 V94Y44-H82 AromaticContact CD1-CD2 3.77Å; Y44-H82 HydrophobicContact CE1-CB 4.45Å; Y44-H82 AromaticContact CE1-CD2 3.63Å; Y44-H82 AromaticContact CE1-CG 3.8Å; Y44-H82 AromaticContact CE1-NE2 3.78Å; H82-V94 HydrophobicContact CB-CB 4.49Å; H82-V94 HydrophobicContact CB-CG1 4.23Å; H82-V94 PolarHBondContact N-O 3.5Å
83R94.3Very high94.8Very high80 Ų8047 Ų4730%0.30225%0.246SC..EExtended strand (participates in β ladder)trans-161.9165.4179.260.2-176.2-176.9-110.916.2111.3S17 V94S17-R83 PolarHBondContact OG-NH2 3.44Å; R83-V94 HydrophobicContact CG-CB 3.71Å; R83-V94 HydrophobicContact CG-CG1 4.29Å; R83-V94 HydrophobicContact CG-CG2 3.64Å; R83-V94 PolarHBondContact N-O 3.01Å; R83-V94 WeakPolarHBondContact O-CB 3.45Å; R83-V94 PolarHBondContact O-N 3.39Å
84V95.1Very high94.7Very high35 Ų3546.4 Ų46.421%0.21224%0.241CC..EExtended strand (participates in β ladder)trans-123126.9174.3-174.40000107.2L66 L81 I91 Y92L66-V84 HydrophobicContact CD1-CG2 3.53Å; L66-V84 HydrophobicContact CD2-CB 4.43Å; L66-V84 HydrophobicContact CD2-CG1 3.82Å; L66-V84 HydrophobicContact CD2-CG2 3.86Å; L66-V84 HydrophobicContact CG-CG2 4.22Å; L81-V84 HydrophobicContact CD2-CG2 4.1Å; V84-I91 HydrophobicContact CG1-CG2 3.59Å; V84-Y92 WeakPolarHBondContact CA-O 3.43Å
85L94.1Very high94.8Very high24 Ų2442.5 Ų42.513%0.12621%0.212CC..EExtended strand (participates in β ladder)trans-112.7136.6175.3-56.7174000108.2L14 L18 Y92 V94L14-L85 HydrophobicContact CD2-CD1 3.78Å; L14-L85 HydrophobicContact CG-CD1 3.82Å; L18-L85 HydrophobicContact CD1-CD1 4.26Å; L85-Y92 PolarHBondContact N-O 3.45Å; L85-Y92 PolarHBondContact O-N 3.19Å; L85-V94 HydrophobicContact CD1-CG2 4.36Å
86E91.8Very high94.7Very high48 Ų4843.1 Ų43.122%0.22422%0.215CC..EExtended strand (participates in β ladder)trans-121.9130.4-177.7-170.5166.5177.700109.7K51 I91K51-E86 WeakPolarHBondContact CE-OE1 3.48Å; K51-E86 IonicContact NZ-OE1 2.65Å; K51-E86 PolarHBondContact NZ-OE1 3.15Å; E86-I91 HydrophobicContact CG-CG1 4.23Å
87T89.9Confident94.7Very high13 Ų1341.4 Ų41.48%0.0820%0.198CC..  trans-119.1172.4173.458.20000108.8K51 D89 A90 Y92 I394K51-T87 WeakPolarHBondContact CE-O 3.5Å; K51-T87 PolarHBondContact NZ-O 2.77Å; T87-D89 PolarHBondContact O-N 3.06Å; T87-A90 PolarHBondContact N-O 2.84Å; T87-A90 PolarHBondContact OG1-N 2.81Å; T87-A90 PolarHBondContact OG1-O 3.14Å; T87-Y92 HydrophobicContact CG2-CD2 4.29Å; T87-Y92 HydrophobicContact CG2-CE2 3.71Å; T87-I394 HydrophobicContact CG2-CG2 4.23Å
88E87.1Confident94.6Very high182 Ų18238.4 Ų38.485%0.8519%0.188SC*.SBendtrans-55.6-40.7177.9-65.6-174.4172.400112.1K51K51-E88 VanDerWaalsContact CD-O 3.24Å; K51-E88 WeakPolarHBondContact CD-O 3.24Å
89D86.8Confident94.4Very high89 Ų8941.5 Ų41.548%0.47621%0.208SC..SBendtrans-97-20.4-171.7-56.9-30.4000114.4K51 T87K51-D89 WeakPolarHBondContact CB-O 3.4Å; K51-D89 PolarHBondContact N-O 2.9Å; T87-D89 PolarHBondContact O-N 3.06Å
90A90.3Very high94.3Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans-154155.4-171.200000114.9M2 L49 T87 Y92M2-A90 HydrophobicContact CE-CB 3.3Å; M2-A90 HydrophobicContact SD-CB 4.2Å; L49-A90 CarbonylContact O-C 3.54Å; L49-A90 VanDerWaalsContact O-CA 3.25Å; L49-A90 WeakPolarHBondContact O-CA 3.14Å; L49-A90 WeakPolarHBondContact O-CB 3.29Å; T87-A90 PolarHBondContact N-O 2.84Å; T87-A90 PolarHBondContact OG1-N 2.81Å; T87-A90 PolarHBondContact OG1-O 3.14Å; A90-Y92 HydrophobicContact CB-CE2 4.09Å
91I92.7Very high94.2Very high27 Ų2742.1 Ų42.114%0.13822%0.215CC..EExtended strand (participates in β ladder)trans-104.7126.9167.5-57.3170.8000107.7L49 K51 V84 E86 V93L49-I91 HydrophobicContact CB-CB 4.28Å; L49-I91 WeakPolarHBondContact CB-O 3.11Å; L49-I91 PolarHBondContact N-O 2.93Å; L49-I91 PolarHBondContact O-N 3.22Å; K51-I91 HydrophobicContact CG-CG1 4.45Å; V84-I91 HydrophobicContact CG1-CG2 3.59Å; E86-I91 HydrophobicContact CG-CG1 4.23Å; I91-V93 HydrophobicContact CG2-CG2 4.37Å
92Y94.8Very high94.2Very high5 Ų542.9 Ų42.92%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-109.1116.3176.6-59.4-91.6000109.8M2 L9 L14 F20 V46 K47 A48 V84 L85 T87 A90M2-Y92 HydrophobicContact CE-CE1 3.72Å; M2-Y92 HydrophobicContact CE-CE2 4.22Å; M2-Y92 WeakPolarHBondContact CE-OH 3.28Å; M2-Y92 HydrophobicContact SD-CE1 4.29Å; L9-Y92 HydrophobicContact CD1-CE1 4.18Å; L14-Y92 HydrophobicContact CD1-CD1 4.29Å; L14-Y92 HydrophobicContact CD1-CD2 3.58Å; L14-Y92 HydrophobicContact CD1-CE1 4.17Å; L14-Y92 HydrophobicContact CD1-CE2 3.43Å; L14-Y92 VanDerWaalsContact CD1-CE2 3.43Å; L14-Y92 HydrophobicContact CD1-CG 3.98Å; L14-Y92 HydrophobicContact CD2-CD1 3.65Å; L14-Y92 HydrophobicContact CD2-CD2 3.96Å; L14-Y92 HydrophobicContact CD2-CE1 4.19Å; L14-Y92 HydrophobicContact CD2-CE2 4.46Å; L14-Y92 HydrophobicContact CD2-CG 3.47Å; L14-Y92 VanDerWaalsContact CD2-CG 3.47Å; L14-Y92 HydrophobicContact CG-CD2 4.42Å; L14-Y92 HydrophobicContact CG-CG 4.38Å; F20-Y92 HydrophobicContact CE2-CE1 4.48Å; F20-Y92 HydrophobicContact CZ-CD1 4.02Å; F20-Y92 AromaticContact CZ-CE1 3.69Å; F20-Y92 HydrophobicContact CZ-CE1 3.69Å; V46-Y92 HydrophobicContact CG1-CD1 3.9Å; V46-Y92 HydrophobicContact CG1-CG 4.4Å; K47-Y92 WeakPolarHBondContact O-CA 3.34Å; A48-Y92 HydrophobicContact CB-CD1 3.7Å; A48-Y92 HydrophobicContact CB-CE1 3.81Å; V84-Y92 WeakPolarHBondContact CA-O 3.43Å; L85-Y92 PolarHBondContact N-O 3.45Å; L85-Y92 PolarHBondContact O-N 3.19Å; T87-Y92 HydrophobicContact CG2-CD2 4.29Å; T87-Y92 HydrophobicContact CG2-CE2 3.71Å; A90-Y92 HydrophobicContact CB-CE2 4.09Å
93V95.5Very high94.3Very high9 Ų938.6 Ų38.66%0.05520%0.199CC..EExtended strand (participates in β ladder)trans-97.6113.5177-169.10000108.3V46 K47 L49 L66 L81 I91 L95V46-V93 WeakPolarHBondContact CA-O 3.48Å; K47-V93 HydrophobicContact CB-CB 4.29Å; K47-V93 PolarHBondContact N-O 3.21Å; K47-V93 PolarHBondContact O-N 3.18Å; L49-V93 HydrophobicContact CD1-CG2 4.08Å; L66-V93 HydrophobicContact CD1-CG1 4.17Å; L66-V93 HydrophobicContact CD1-CG2 4.29Å; L81-V93 HydrophobicContact CD1-CG1 3.7Å; L81-V93 HydrophobicContact CG-CG1 4.12Å; I91-V93 HydrophobicContact CG2-CG2 4.37Å; V93-L95 HydrophobicContact CG1-CD2 3.6Å; V93-L95 HydrophobicContact CG1-CG 3.99Å
94V96.7Very high94.4Very high0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-88.3112.8179.6-173.80000108.5L18 Y44 V46 H82 R83 L85L18-V94 HydrophobicContact CD1-CB 4.49Å; L18-V94 HydrophobicContact CD1-CG1 4.03Å; L18-V94 HydrophobicContact CD1-CG2 3.58Å; Y44-V94 HydrophobicContact CD1-CG1 3.76Å; Y44-V94 HydrophobicContact CE1-CG1 4.43Å; Y44-V94 HydrophobicContact CG-CG1 3.83Å; V46-V94 HydrophobicContact CG2-CG2 4.45Å; H82-V94 HydrophobicContact CB-CB 4.49Å; H82-V94 HydrophobicContact CB-CG1 4.23Å; H82-V94 PolarHBondContact N-O 3.5Å; R83-V94 HydrophobicContact CG-CB 3.71Å; R83-V94 HydrophobicContact CG-CG1 4.29Å; R83-V94 HydrophobicContact CG-CG2 3.64Å; R83-V94 PolarHBondContact N-O 3.01Å; R83-V94 WeakPolarHBondContact O-CB 3.45Å; R83-V94 PolarHBondContact O-N 3.39Å; L85-V94 HydrophobicContact CD1-CG2 4.36Å
95L97.5Very high94.5Very high23 Ų2338.3 Ų38.312%0.1220%0.201CC..EExtended strand (participates in β ladder)trans-117.6157.5-173-59176000110.9A45 K47 I79 T80 L81 V93 Y97A45-L95 HydrophobicContact CB-CB 4.27Å; A45-L95 PolarHBondContact N-O 2.97Å; A45-L95 WeakPolarHBondContact O-CA 3.39Å; A45-L95 WeakPolarHBondContact O-CB 3.48Å; A45-L95 PolarHBondContact O-N 3.18Å; K47-L95 HydrophobicContact CB-CD1 4.41Å; I79-L95 HydrophobicContact CG2-CB 3.95Å; I79-L95 HydrophobicContact CG2-CD1 4.47Å; I79-L95 HydrophobicContact CG2-CD2 4.2Å; I79-L95 HydrophobicContact CG2-CG 4.44Å; T80-L95 CarbonylContact O-C 3.52Å; T80-L95 WeakPolarHBondContact O-CA 3.49Å; L81-L95 HydrophobicContact CB-CD2 4.12Å; L81-L95 HydrophobicContact CD1-CD2 4.35Å; L81-L95 HydrophobicContact CG-CD2 4.22Å; V93-L95 HydrophobicContact CG1-CD2 3.6Å; V93-L95 HydrophobicContact CG1-CG 3.99Å; L95-Y97 PolarHBondContact O-N 3.01Å
96Q97.1Very high94.6Very high39 Ų3937.8 Ų37.818%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-52.5130.3167.1179.5-177.1-1.200110.4I79 T80 Y159I79-Q96 HydrophobicContact CD1-CB 4.31Å; I79-Q96 HydrophobicContact CD1-CG 4.5Å; I79-Q96 HydrophobicContact CG2-CB 4.27Å; T80-Q96 PolarHBondContact O-N 2.85Å; Q96-Y159 PolarHBondContact NE2-OH 2.9Å
97Y97.4Very high94.8Very high47 Ų4735.8 Ų35.818%0.18419%0.188CC..  trans-86129.5173.2-178.4-117.9000111.2I24 K34 L43 A45 L95 P99I24-Y97 HydrophobicContact CD1-CD2 4.37Å; I24-Y97 HydrophobicContact CD1-CE2 4.2Å; K34-Y97 HydrophobicContact CB-CE2 4.37Å; K34-Y97 HydrophobicContact CD-CE1 4.5Å; K34-Y97 HydrophobicContact CD-CE2 4.39Å; K34-Y97 HydrophobicContact CG-CE2 4.14Å; L43-Y97 HydrophobicContact CB-CD1 3.72Å; L43-Y97 HydrophobicContact CB-CE1 4.41Å; L43-Y97 HydrophobicContact CB-CG 4.25Å; L43-Y97 HydrophobicContact CD1-CD1 4.12Å; L43-Y97 HydrophobicContact CD1-CE1 4.05Å; L43-Y97 WeakPolarHBondContact O-CB 3.25Å; A45-Y97 HydrophobicContact CB-CD2 4.31Å; L95-Y97 PolarHBondContact O-N 3.01Å; Y97-P99 HydrophobicContact CD1-CB 4.37Å; Y97-P99 HydrophobicContact CE1-CB 3.68Å; Y97-P99 HydrophobicContact CE1-CG 4.45Å
98C97.2Very high95.1Very high9 Ų937.2 Ų37.26%0.06120%0.197CC..  trans-111.699.3173.2-71.30000109.2I79 N100 G101 M150 V151I79-C98 VanDerWaalsContact CD1-SG 3.52Å; C98-N100 PolarHBondContact O-N 3.2Å; C98-N100 VanDerWaalsContact O-N 3.13Å; C98-G101 PolarHBondContact O-N 2.91Å; C98-M150 HydrophobicContact CB-CB 3.75Å; C98-M150 HydrophobicContact CB-CE 3.93Å; C98-M150 HydrophobicContact CB-CG 4.42Å; C98-M150 VanDerWaalsContact SG-CB 3.56Å; C98-V151 WeakPolarHBondContact CB-O 3.3Å
99P94.9Very high95.4Very high65 Ų6535.1 Ų35.142%0.42219%0.187SC..THydrogen-bonded Turntrans-63.5-22.5-17524.3-33.6000113.4Y97 G101 N153Y97-P99 HydrophobicContact CD1-CB 4.37Å; Y97-P99 HydrophobicContact CE1-CB 3.68Å; Y97-P99 HydrophobicContact CE1-CG 4.45Å; P99-G101 VanDerWaalsContact C-N 3.31Å; P99-N153 VanDerWaalsContact CD-OD1 3.24Å; P99-N153 WeakPolarHBondContact CD-OD1 3.28Å; P99-N153 WeakPolarHBondContact CG-OD1 3.39Å
100N95.7Very high95.8Very high42 Ų4235.9 Ų35.923%0.22519%0.186CC..THydrogen-bonded Turntrans-80.6-9.8178.5-74.6-23.3000112.6C98 Y106 V151 G152 N153C98-N100 PolarHBondContact O-N 3.2Å; C98-N100 VanDerWaalsContact O-N 3.13Å; N100-Y106 HydrophobicContact CB-CE2 3.82Å; N100-Y106 WeakPolarHBondContact CB-OH 3.36Å; N100-Y106 WeakPolarHBondContact O-CE2 3.28Å; N100-Y106 PolarHBondContact OD1-OH 3.45Å; N100-Y106 VanDerWaalsContact OD1-OH 3.06Å; N100-V151 HydrophobicContact CB-CB 3.91Å; N100-V151 HydrophobicContact CB-CG1 4Å; N100-G152 PolarHBondContact ND2-O 3.03Å; N100-N153 PolarHBondContact ND2-O 3.38Å; N100-N153 VanDerWaalsContact ND2-O 3.13Å
101G95.8Very high95.9Very high24 Ų2441.7 Ų41.725%0.24721%0.211CC..  trans72.1-151.818000000112.8C98 P99 M150 V151C98-G101 PolarHBondContact O-N 2.91Å; P99-G101 VanDerWaalsContact C-N 3.31Å; G101-M150 WeakPolarHBondContact O-CA 2.99Å; G101-V151 PolarHBondContact O-N 3.24Å
102D96.8Very high95.9Very high46 Ų4642.8 Ų42.825%0.24622%0.219CC..BIsolated β-bridgetrans-86.1160.6-172.362.174000114.8F104 T105 I149 M150D102-F104 VanDerWaalsContact C-N 3.32Å; D102-F104 WeakPolarHBondContact OD1-CA 3.47Å; D102-F104 VanDerWaalsContact OD1-CB 3.28Å; D102-F104 WeakPolarHBondContact OD1-CB 3.49Å; D102-F104 PolarHBondContact OD1-N 2.98Å; D102-F104 VanDerWaalsContact OD1-N 3.14Å; D102-T105 WeakPolarHBondContact OD1-CB 3.33Å; D102-T105 PolarHBondContact OD1-N 3.35Å; D102-T105 PolarHBondContact OD1-OG1 2.87Å; D102-T105 PolarHBondContact OD2-OG1 2.95Å; D102-I149 CarbonylContact C-O 3.59Å; D102-I149 WeakPolarHBondContact CA-O 3.41Å; D102-M150 HydrophobicContact CB-SD 4.48Å
103L98Very high95.9Very high3 Ų342.6 Ų42.62%0.01622%0.218CC..Hα-helixtrans-70.6-28.7179.8-176.667000111.8T105 Y106 I107 Y113 P146 I149 V151 V158 L232L103-T105 PolarHBondContact O-N 2.81Å; L103-Y106 PolarHBondContact O-N 3.42Å; L103-I107 HydrophobicContact CD1-CD1 4.42Å; L103-I107 HydrophobicContact CD1-CG1 4.4Å; L103-I107 HydrophobicContact CD2-CD1 4.2Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.24Å; L103-I107 VanDerWaalsContact O-CG1 3.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3Å; L103-Y113 HydrophobicContact CD1-CD2 4.15Å; L103-Y113 HydrophobicContact CD1-CE2 3.34Å; L103-P146 HydrophobicContact CB-CB 4.28Å; L103-P146 WeakPolarHBondContact CB-O 3.48Å; L103-P146 HydrophobicContact CG-CB 4.4Å; L103-P146 PolarHBondContact N-O 2.87Å; L103-I149 HydrophobicContact CB-CB 3.95Å; L103-I149 HydrophobicContact CB-CG2 4.04Å; L103-I149 WeakPolarHBondContact CB-O 3.47Å; L103-I149 HydrophobicContact CD2-CB 4.12Å; L103-I149 HydrophobicContact CD2-CD1 4.01Å; L103-I149 HydrophobicContact CD2-CG2 3.89Å; L103-I149 PolarHBondContact N-O 2.92Å; L103-V151 HydrophobicContact CB-CG2 4.31Å; L103-V151 HydrophobicContact CD1-CG2 4.12Å; L103-V158 HydrophobicContact CD1-CG1 4.33Å; L103-L232 HydrophobicContact CD1-CD2 4.24Å; L103-L232 HydrophobicContact CD2-CD2 4.34Å
104F97.2Very high95.7Very high76 Ų7647.5 Ų47.533%0.33324%0.241SC..Hα-helixtrans-57.1-52.6177.8-177.8-92.8000110.8D102 Y106 I107 T108 P146 E147D102-F104 VanDerWaalsContact C-N 3.32Å; D102-F104 WeakPolarHBondContact OD1-CA 3.47Å; D102-F104 VanDerWaalsContact OD1-CB 3.28Å; D102-F104 WeakPolarHBondContact OD1-CB 3.49Å; D102-F104 PolarHBondContact OD1-N 2.98Å; D102-F104 VanDerWaalsContact OD1-N 3.14Å; F104-Y106 VanDerWaalsContact C-N 3.27Å; F104-Y106 PolarHBondContact O-N 3.15Å; F104-I107 PolarHBondContact O-N 2.98Å; F104-I107 VanDerWaalsContact O-N 3.1Å; F104-T108 HydrophobicContact CD1-CG2 4.35Å; F104-T108 HydrophobicContact CD2-CG2 4.34Å; F104-T108 HydrophobicContact CE1-CG2 3.99Å; F104-T108 HydrophobicContact CE2-CG2 3.98Å; F104-T108 HydrophobicContact CZ-CG2 3.8Å; F104-T108 PolarHBondContact O-N 2.78Å; F104-T108 PolarHBondContact O-OG1 3.37Å; F104-P146 HydrophobicContact CB-CB 3.81Å; F104-P146 HydrophobicContact CD2-CB 4.34Å; F104-P146 PolarHBondContact N-O 3.06Å; F104-E147 HydrophobicContact CB-CG 3.91Å; F104-E147 HydrophobicContact CD2-CG 4.31Å; F104-E147 HydrophobicContact CG-CG 4.12Å
105T96.7Very high95.3Very high34 Ų3449.9 Ų49.921%0.20927%0.265CS..Hα-helixtrans-57.3-40.6177.4-58.20000111.4D102 L103 I107 E109 K110D102-T105 WeakPolarHBondContact OD1-CB 3.33Å; D102-T105 PolarHBondContact OD1-N 3.35Å; D102-T105 PolarHBondContact OD1-OG1 2.87Å; D102-T105 PolarHBondContact OD2-OG1 2.95Å; L103-T105 PolarHBondContact O-N 2.81Å; T105-I107 PolarHBondContact O-N 3.11Å; T105-E109 HydrophobicContact CG2-CB 4.39Å; T105-E109 WeakPolarHBondContact O-CB 3.13Å; T105-E109 PolarHBondContact O-N 3.46Å; T105-K110 PolarHBondContact O-N 3.05Å; T105-K110 VanDerWaalsContact O-N 3.12Å
106Y97Very high95.1Very high13 Ų1352.2 Ų52.25%0.05128%0.278CS..Hα-helixtrans-69.2-32.8177.9-90.7-108.8000113.9N100 L103 F104 K110 K111 V112 Y113 V151 V155N100-Y106 HydrophobicContact CB-CE2 3.82Å; N100-Y106 WeakPolarHBondContact CB-OH 3.36Å; N100-Y106 WeakPolarHBondContact O-CE2 3.28Å; N100-Y106 PolarHBondContact OD1-OH 3.45Å; N100-Y106 VanDerWaalsContact OD1-OH 3.06Å; L103-Y106 PolarHBondContact O-N 3.42Å; F104-Y106 VanDerWaalsContact C-N 3.27Å; F104-Y106 PolarHBondContact O-N 3.15Å; Y106-K110 HydrophobicContact CD1-CD 4.03Å; Y106-K110 HydrophobicContact CD2-CD 3.77Å; Y106-K110 HydrophobicContact CE1-CD 3.79Å; Y106-K110 HydrophobicContact CE2-CD 3.47Å; Y106-K110 VanDerWaalsContact CE2-CD 3.47Å; Y106-K110 HydrophobicContact CG-CD 4.01Å; Y106-K110 VanDerWaalsContact CZ-CD 3.5Å; Y106-K110 PolarHBondContact OH-NZ 3.21Å; Y106-K111 PolarHBondContact O-N 3.11Å; Y106-V112 HydrophobicContact CD1-CB 4.09Å; Y106-V112 HydrophobicContact CD1-CG2 3.65Å; Y106-V112 HydrophobicContact CE1-CG2 3.99Å; Y106-V112 PolarHBondContact O-N 2.88Å; Y106-Y113 HydrophobicContact CD1-CE2 4.4Å; Y106-Y113 HydrophobicContact CG-CE2 4.47Å; Y106-V151 HydrophobicContact CD1-CG1 4.4Å; Y106-V151 HydrophobicContact CD1-CG2 4.49Å; Y106-V151 HydrophobicContact CD2-CB 4.4Å; Y106-V151 HydrophobicContact CD2-CG2 3.9Å; Y106-V151 HydrophobicContact CE1-CG1 4.28Å; Y106-V151 HydrophobicContact CE2-CB 4.45Å; Y106-V151 HydrophobicContact CE2-CG2 4.44Å; Y106-V151 HydrophobicContact CG-CG2 3.96Å; Y106-V155 HydrophobicContact CD1-CG1 4.35Å; Y106-V155 HydrophobicContact CE1-CB 4.49Å; Y106-V155 HydrophobicContact CE1-CG1 3.63Å
107I96.6Very high95Very high6 Ų651.3 Ų51.33%0.03128%0.276CS..Hα-helixtrans-73.2-51176.7-71.6171.5000110.4L103 F104 T105 Y113 P146 N231 L232 K235L103-I107 HydrophobicContact CD1-CD1 4.42Å; L103-I107 HydrophobicContact CD1-CG1 4.4Å; L103-I107 HydrophobicContact CD2-CD1 4.2Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.24Å; L103-I107 VanDerWaalsContact O-CG1 3.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3Å; F104-I107 PolarHBondContact O-N 2.98Å; F104-I107 VanDerWaalsContact O-N 3.1Å; T105-I107 PolarHBondContact O-N 3.11Å; I107-Y113 HydrophobicContact CG1-CD2 4.04Å; I107-P146 HydrophobicContact CD1-CB 4.21Å; I107-P146 HydrophobicContact CD1-CG 4.25Å; I107-N231 HydrophobicContact CD1-CB 4.09Å; I107-N231 HydrophobicContact CG2-CB 4.45Å; I107-N231 VanDerWaalsContact CG2-O 3.25Å; I107-N231 WeakPolarHBondContact CG2-O 3.45Å; I107-L232 HydrophobicContact CD1-CD2 3.81Å; I107-L232 HydrophobicContact CD1-CG 4.05Å; I107-L232 HydrophobicContact CG1-CD2 4.02Å; I107-K235 HydrophobicContact CG2-CB 4.17Å; I107-K235 HydrophobicContact CG2-CG 3.88Å; I107-K235 VanDerWaalsContact O-CD 3.29Å; I107-K235 WeakPolarHBondContact O-CD 3.25Å; I107-K235 WeakPolarHBondContact O-CE 3.47Å; I107-K235 WeakPolarHBondContact O-CG 3.46Å
108T94.9Very high95Very high43 Ų4355.6 Ų55.626%0.26430%0.297SS..Hα-helixtrans-84-50.3-167.956.70000112.1F104F104-T108 HydrophobicContact CD1-CG2 4.35Å; F104-T108 HydrophobicContact CD2-CG2 4.34Å; F104-T108 HydrophobicContact CE1-CG2 3.99Å; F104-T108 HydrophobicContact CE2-CG2 3.98Å; F104-T108 HydrophobicContact CZ-CG2 3.8Å; F104-T108 PolarHBondContact O-N 2.78Å; F104-T108 PolarHBondContact O-OG1 3.37Å
109E94.8Very high94.9Very high138 Ų13855.6 Ų55.665%0.64530%0.296SS*.THydrogen-bonded Turntrans-91.4-54-172.1-58.3-177.8-174.500112.2T105 K111T105-E109 HydrophobicContact CG2-CB 4.39Å; T105-E109 WeakPolarHBondContact O-CB 3.13Å; T105-E109 PolarHBondContact O-N 3.46Å; E109-K111 WeakPolarHBondContact O-CG 3.33Å
110K94Very high95.1Very high104 Ų10452.5 Ų52.545%0.45228%0.276SS..SBendtrans-81.3-21.1-175-60.2179.6172171.80113.9T105 Y106 V112T105-K110 PolarHBondContact O-N 3.05Å; T105-K110 VanDerWaalsContact O-N 3.12Å; Y106-K110 HydrophobicContact CD1-CD 4.03Å; Y106-K110 HydrophobicContact CD2-CD 3.77Å; Y106-K110 HydrophobicContact CE1-CD 3.79Å; Y106-K110 HydrophobicContact CE2-CD 3.47Å; Y106-K110 VanDerWaalsContact CE2-CD 3.47Å; Y106-K110 HydrophobicContact CG-CD 4.01Å; Y106-K110 VanDerWaalsContact CZ-CD 3.5Å; Y106-K110 PolarHBondContact OH-NZ 3.21Å; K110-V112 HydrophobicContact CB-CG2 3.84Å; K110-V112 PolarHBondContact O-N 3.16Å; K110-V112 VanDerWaalsContact O-N 3.14Å
111K92.6Very high95.2Very high122 Ų12252.3 Ų52.353%0.5327%0.274SS..  trans62.818.7172.1-52.9-170.2178.2166.50115Y106 E109 Y113 Q114 K235Y106-K111 PolarHBondContact O-N 3.11Å; E109-K111 WeakPolarHBondContact O-CG 3.33Å; K111-Y113 VanDerWaalsContact C-N 3.31Å; K111-Y113 PolarHBondContact O-N 2.88Å; K111-Q114 PolarHBondContact O-N 2.7Å; K111-K235 VanDerWaalsContact CD-NZ 3.3Å
112V93.6Very high95.3Very high50 Ų5053.2 Ų53.230%0.30327%0.274SS..THydrogen-bonded Turntrans-60.4-37.6-169.1176.50000113Y106 K110 L119 V155Y106-V112 HydrophobicContact CD1-CB 4.09Å; Y106-V112 HydrophobicContact CD1-CG2 3.65Å; Y106-V112 HydrophobicContact CE1-CG2 3.99Å; Y106-V112 PolarHBondContact O-N 2.88Å; K110-V112 HydrophobicContact CB-CG2 3.84Å; K110-V112 PolarHBondContact O-N 3.16Å; K110-V112 VanDerWaalsContact O-N 3.14Å; V112-L119 HydrophobicContact CG1-CD2 3.95Å; V112-V155 HydrophobicContact CG1-CB 4.01Å; V112-V155 HydrophobicContact CG1-CG1 4.3Å; V112-V155 HydrophobicContact CG1-CG2 3.96Å
113Y94.7Very high95.4Very high2 Ų251.1 Ų51.11%0.00826%0.263CS..THydrogen-bonded Turntrans-81.9-17.9-175-60.2-73.6000113.9L103 Y106 I107 K111 G115 N116 L119 I120 V123 V155 L232L103-Y113 HydrophobicContact CD1-CD2 4.15Å; L103-Y113 HydrophobicContact CD1-CE2 3.34Å; Y106-Y113 HydrophobicContact CD1-CE2 4.4Å; Y106-Y113 HydrophobicContact CG-CE2 4.47Å; I107-Y113 HydrophobicContact CG1-CD2 4.04Å; K111-Y113 VanDerWaalsContact C-N 3.31Å; K111-Y113 PolarHBondContact O-N 2.88Å; Y113-G115 PolarHBondContact O-N 3.5Å; Y113-N116 PolarHBondContact O-N 3.46Å; Y113-N116 VanDerWaalsContact O-N 3.12Å; Y113-L119 HydrophobicContact CD1-CD2 3.66Å; Y113-L119 HydrophobicContact CD1-CG 3.61Å; Y113-L119 HydrophobicContact CE1-CD1 4.16Å; Y113-L119 HydrophobicContact CE1-CD2 3.76Å; Y113-L119 HydrophobicContact CE1-CG 3.67Å; Y113-I120 VanDerWaalsContact O-CD1 3.26Å; Y113-I120 WeakPolarHBondContact O-CD1 3.47Å; Y113-I120 WeakPolarHBondContact O-CG1 3.38Å; Y113-V123 HydrophobicContact CD1-CG2 4.2Å; Y113-V123 HydrophobicContact CE1-CB 4.47Å; Y113-V123 HydrophobicContact CE1-CG1 3.74Å; Y113-V123 HydrophobicContact CE1-CG2 3.96Å; Y113-V155 WeakPolarHBondContact CE1-O 3.36Å; Y113-V155 PolarHBondContact OH-O 2.86Å; Y113-L232 HydrophobicContact CD1-CD2 4.12Å; Y113-L232 HydrophobicContact CD2-CD2 3.95Å; Y113-L232 HydrophobicContact CE2-CD2 4.46Å; Y113-L232 HydrophobicContact CG-CD2 3.77Å
114Q89.8Confident95.4Very high112 Ų11251 Ų5152%0.52326%0.262SS..THydrogen-bonded Turntrans-63.7125.5-168.2-170.7176.518.700112K111 N116K111-Q114 PolarHBondContact O-N 2.7Å; Q114-N116 PolarHBondContact O-N 3.47Å; Q114-N116 VanDerWaalsContact O-N 3.15Å
115G89.4Confident95.5Very high50 Ų5049.5 Ų49.552%0.51526%0.258SS..THydrogen-bonded Turntrans74.2-6.9178.500000114.5Y113 S117Y113-G115 PolarHBondContact O-N 3.5Å; G115-S117 PolarHBondContact O-N 3.15Å
116N93.8Very high95.6Very high72 Ų7248.7 Ų48.739%0.38525%0.252SS..  trans-92.380.7176.5-168.9-18.9000110.4Y113 Q114 H118 L119 I120Y113-N116 PolarHBondContact O-N 3.46Å; Y113-N116 VanDerWaalsContact O-N 3.12Å; Q114-N116 PolarHBondContact O-N 3.47Å; Q114-N116 VanDerWaalsContact O-N 3.15Å; N116-H118 PolarHBondContact O-N 3.12Å; N116-H118 PolarHBondContact OD1-N 3.4Å; N116-L119 HydrophobicContact CB-CB 3.98Å; N116-L119 WeakPolarHBondContact ND2-CB 3.35Å; N116-L119 PolarHBondContact O-N 3.37Å; N116-L119 WeakPolarHBondContact OD1-CB 3.38Å; N116-L119 PolarHBondContact OD1-N 2.8Å; N116-I120 VanDerWaalsContact O-CG1 3.31Å; N116-I120 WeakPolarHBondContact O-CG1 3.31Å; N116-I120 PolarHBondContact O-N 2.76Å
117S94.9Very high95.6Very high20 Ų2048.3 Ų48.314%0.1425%0.25CS..Hα-helixtrans-59.4-31.2-178.1-68.80000113G115 K121 L301G115-S117 PolarHBondContact O-N 3.15Å; S117-K121 VanDerWaalsContact O-CG 3.27Å; S117-K121 WeakPolarHBondContact O-CG 3.13Å; S117-K121 PolarHBondContact O-N 3.01Å; S117-K121 VanDerWaalsContact O-N 3.14Å; S117-L301 PolarHBondContact OG-N 3.21Å
118H95.7Very high95.7Very high137 Ų13748 Ų4863%0.63425%0.249SC*.Hα-helixtrans-67.7-51.7177.2-179.471.4000110.7N116 I120 K121 T122N116-H118 PolarHBondContact O-N 3.12Å; N116-H118 PolarHBondContact OD1-N 3.4Å; H118-I120 PolarHBondContact O-N 3.46Å; H118-K121 PolarHBondContact O-N 3.24Å; H118-K121 VanDerWaalsContact O-N 3.17Å; H118-T122 PolarHBondContact O-N 3.25Å; H118-T122 PolarHBondContact O-OG1 3.44Å; H118-T122 VanDerWaalsContact O-OG1 3.08Å
119L96.6Very high95.9Very high8 Ų847.9 Ų47.94%0.04225%0.249CC..Hα-helixtrans-60.7-43.4179.1-17857.6000112.5V112 Y113 N116 K121 T122 V123 V155 N156V112-L119 HydrophobicContact CG1-CD2 3.95Å; Y113-L119 HydrophobicContact CD1-CD2 3.66Å; Y113-L119 HydrophobicContact CD1-CG 3.61Å; Y113-L119 HydrophobicContact CE1-CD1 4.16Å; Y113-L119 HydrophobicContact CE1-CD2 3.76Å; Y113-L119 HydrophobicContact CE1-CG 3.67Å; N116-L119 HydrophobicContact CB-CB 3.98Å; N116-L119 WeakPolarHBondContact ND2-CB 3.35Å; N116-L119 PolarHBondContact O-N 3.37Å; N116-L119 WeakPolarHBondContact OD1-CB 3.38Å; N116-L119 PolarHBondContact OD1-N 2.8Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 2.84Å; L119-T122 PolarHBondContact O-N 3.16Å; L119-V123 HydrophobicContact CD1-CG1 4.34Å; L119-V123 PolarHBondContact O-N 2.81Å; L119-V155 HydrophobicContact CD2-CG2 4.35Å; L119-N156 HydrophobicContact CD1-CB 4Å; L119-N156 WeakPolarHBondContact CD1-OD1 3.25Å
120I97.7Very high96.1Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-57.6-46.3175.8-66.8165.4000110.6Y113 N116 H118 V123 F124 L229 L232 L301Y113-I120 VanDerWaalsContact O-CD1 3.26Å; Y113-I120 WeakPolarHBondContact O-CD1 3.47Å; Y113-I120 WeakPolarHBondContact O-CG1 3.38Å; N116-I120 VanDerWaalsContact O-CG1 3.31Å; N116-I120 WeakPolarHBondContact O-CG1 3.31Å; N116-I120 PolarHBondContact O-N 2.76Å; H118-I120 PolarHBondContact O-N 3.46Å; I120-V123 WeakPolarHBondContact O-CG2 3.29Å; I120-F124 WeakPolarHBondContact O-CB 3.41Å; I120-F124 PolarHBondContact O-N 3.13Å; I120-L229 HydrophobicContact CG2-CD1 3.98Å; I120-L232 HydrophobicContact CG1-CB 4.24Å; I120-L232 HydrophobicContact CG2-CB 3.81Å; I120-L232 HydrophobicContact CG2-CD1 4.18Å; I120-L301 HydrophobicContact CB-CD1 3.75Å; I120-L301 HydrophobicContact CG2-CD1 3.34Å
121K97.8Very high96.4Very high39 Ų3936.4 Ų36.417%0.1720%0.197CC..Hα-helixtrans-61.7-44.6177.6-74.8-170.8-61.3178.80111.5S117 H118 L119 F124 L125 V295 C298 L301S117-K121 VanDerWaalsContact O-CG 3.27Å; S117-K121 WeakPolarHBondContact O-CG 3.13Å; S117-K121 PolarHBondContact O-N 3.01Å; S117-K121 VanDerWaalsContact O-N 3.14Å; H118-K121 PolarHBondContact O-N 3.24Å; H118-K121 VanDerWaalsContact O-N 3.17Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 2.84Å; K121-F124 PolarHBondContact O-N 3.5Å; K121-L125 WeakPolarHBondContact O-CB 3.39Å; K121-L125 WeakPolarHBondContact O-CG 3.36Å; K121-L125 PolarHBondContact O-N 2.93Å; K121-V295 HydrophobicContact CB-CG1 4.39Å; K121-V295 WeakPolarHBondContact CD-O 3.19Å; K121-V295 HydrophobicContact CG-CG1 4.06Å; K121-C298 PolarHBondContact NZ-O 3.23Å; K121-L301 HydrophobicContact CG-CD1 3.85Å; K121-L301 HydrophobicContact CG-CG 4.4Å
122T98.2Very high96.6Very high42 Ų4233.9 Ų33.926%0.25819%0.188SC..Hα-helixtrans-56.2-55.6179.6-58.70000111.4H118 L119 F124 L125 Q126H118-T122 PolarHBondContact O-N 3.25Å; H118-T122 PolarHBondContact O-OG1 3.44Å; H118-T122 VanDerWaalsContact O-OG1 3.08Å; L119-T122 PolarHBondContact O-N 3.16Å; T122-F124 VanDerWaalsContact C-N 3.34Å; T122-F124 PolarHBondContact O-N 2.92Å; T122-L125 PolarHBondContact O-N 2.69Å; T122-Q126 WeakPolarHBondContact O-CG 3.33Å; T122-Q126 PolarHBondContact O-N 3.1Å
123V98.4Very high96.9Very high2 Ų233.4 Ų33.41%0.01218%0.182CC..Hα-helixtrans-67.5-34.8-178.9-600000112.5Y113 L119 I120 Q126 L127 V158 L232Y113-V123 HydrophobicContact CD1-CG2 4.2Å; Y113-V123 HydrophobicContact CE1-CB 4.47Å; Y113-V123 HydrophobicContact CE1-CG1 3.74Å; Y113-V123 HydrophobicContact CE1-CG2 3.96Å; L119-V123 HydrophobicContact CD1-CG1 4.34Å; L119-V123 PolarHBondContact O-N 2.81Å; I120-V123 WeakPolarHBondContact O-CG2 3.29Å; V123-Q126 PolarHBondContact O-N 3.33Å; V123-L127 PolarHBondContact O-N 3.49Å; V123-L127 VanDerWaalsContact O-N 3.09Å; V123-V158 HydrophobicContact CB-CG1 3.96Å; V123-V158 HydrophobicContact CB-CG2 4.04Å; V123-V158 HydrophobicContact CG1-CG1 3.9Å; V123-V158 WeakPolarHBondContact O-CG2 3.48Å; V123-L232 HydrophobicContact CG2-CD1 4.08Å; V123-L232 HydrophobicContact CG2-CD2 4.03Å
124F98.7Very high97.1Very high1 Ų133.3 Ų33.30%0.00418%0.182CC..Hα-helixtrans-70.8-36-179.9-166.1-112.8000112.3I120 K121 T122 L127 I128 L225 L229 L232 L291 V295I120-F124 WeakPolarHBondContact O-CB 3.41Å; I120-F124 PolarHBondContact O-N 3.13Å; K121-F124 PolarHBondContact O-N 3.5Å; T122-F124 VanDerWaalsContact C-N 3.34Å; T122-F124 PolarHBondContact O-N 2.92Å; F124-L127 HydrophobicContact CD2-CD2 4.47Å; F124-L127 PolarHBondContact O-N 2.99Å; F124-I128 HydrophobicContact CD1-CD1 3.68Å; F124-I128 HydrophobicContact CD1-CG1 4.36Å; F124-I128 HydrophobicContact CE1-CD1 3.64Å; F124-I128 HydrophobicContact CE1-CG1 4.19Å; F124-I128 HydrophobicContact CZ-CD1 4.44Å; F124-I128 WeakPolarHBondContact O-CG1 3.42Å; F124-I128 PolarHBondContact O-N 3.35Å; F124-L225 HydrophobicContact CE2-CB 4.12Å; F124-L225 HydrophobicContact CE2-CD2 4.24Å; F124-L225 WeakPolarHBondContact CE2-O 3.26Å; F124-L225 HydrophobicContact CZ-CB 3.94Å; F124-L225 WeakPolarHBondContact CZ-O 3.42Å; F124-L229 HydrophobicContact CD1-CD1 4.01Å; F124-L229 HydrophobicContact CD1-CD2 4.36Å; F124-L229 HydrophobicContact CD2-CB 4.24Å; F124-L229 HydrophobicContact CD2-CD1 4.29Å; F124-L229 HydrophobicContact CE1-CB 4.22Å; F124-L229 HydrophobicContact CE1-CD1 4.25Å; F124-L229 HydrophobicContact CE1-CD2 3.85Å; F124-L229 HydrophobicContact CE1-CG 4.33Å; F124-L229 HydrophobicContact CE2-CB 3.75Å; F124-L229 HydrophobicContact CG-CD1 4.03Å; F124-L229 HydrophobicContact CZ-CB 3.73Å; F124-L229 HydrophobicContact CZ-CD2 4.12Å; F124-L229 HydrophobicContact CZ-CG 4.34Å; F124-L232 HydrophobicContact CB-CD1 4.32Å; F124-L232 HydrophobicContact CD2-CD1 4.12Å; F124-L291 HydrophobicContact CE1-CD1 4.32Å; F124-L291 HydrophobicContact CE1-CD2 4.39Å; F124-L291 HydrophobicContact CE1-CG 4.44Å; F124-L291 HydrophobicContact CZ-CD2 4.45Å; F124-V295 HydrophobicContact CD1-CB 4.46Å; F124-V295 HydrophobicContact CD1-CG1 3.98Å; F124-V295 HydrophobicContact CD1-CG2 3.73Å; F124-V295 HydrophobicContact CE1-CG2 3.72Å
125L98.7Very high97.5Very high45 Ų4529.5 Ų29.524%0.23616%0.164CC..Hα-helixtrans-67.3-37.3174.6-72.1168.4000112.2K121 T122 L127 I128 S129 S292 V295 S296K121-L125 WeakPolarHBondContact O-CB 3.39Å; K121-L125 WeakPolarHBondContact O-CG 3.36Å; K121-L125 PolarHBondContact O-N 2.93Å; T122-L125 PolarHBondContact O-N 2.69Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-I128 HydrophobicContact CD2-CD1 4.31Å; L125-I128 PolarHBondContact O-N 2.94Å; L125-S129 WeakPolarHBondContact O-CB 3.49Å; L125-S129 PolarHBondContact O-N 3.12Å; L125-S292 WeakPolarHBondContact CD2-O 3.17Å; L125-V295 HydrophobicContact CD2-CB 4.13Å; L125-V295 HydrophobicContact CD2-CG1 3.97Å; L125-V295 HydrophobicContact CG-CG1 4.02Å; L125-S296 WeakPolarHBondContact CD1-OG 3.43Å; L125-S296 WeakPolarHBondContact CD2-OG 3.49Å
126Q98.8Very high97.9Very high17 Ų1731.4 Ų31.48%0.07917%0.169CC..Hα-helixtrans-61.8-42.8172.5-66.6173.45.300111.6Y77 T122 V123 S129 A130 N156 T157 V158Y77-Q126 HydrophobicContact CD1-CB 3.92Å; Y77-Q126 HydrophobicContact CD1-CG 3.89Å; Y77-Q126 HydrophobicContact CD2-CB 3.68Å; Y77-Q126 HydrophobicContact CD2-CG 3.96Å; Y77-Q126 HydrophobicContact CE1-CB 4.19Å; Y77-Q126 HydrophobicContact CE1-CG 3.64Å; Y77-Q126 HydrophobicContact CE2-CB 3.97Å; Y77-Q126 HydrophobicContact CE2-CG 3.72Å; Y77-Q126 HydrophobicContact CG-CB 3.68Å; Y77-Q126 HydrophobicContact CG-CG 4.07Å; T122-Q126 WeakPolarHBondContact O-CG 3.33Å; T122-Q126 PolarHBondContact O-N 3.1Å; V123-Q126 PolarHBondContact O-N 3.33Å; Q126-S129 WeakPolarHBondContact O-CB 3.44Å; Q126-S129 PolarHBondContact O-N 2.95Å; Q126-A130 PolarHBondContact O-N 3.09Å; Q126-N156 PolarHBondContact NE2-O 3.48Å; Q126-N156 PolarHBondContact OE1-O 3.23Å; Q126-T157 VanDerWaalsContact OE1-CA 3.25Å; Q126-V158 HydrophobicContact CB-CG2 4.09Å
127L98.8Very high98.1Very high4 Ų430.2 Ų30.22%0.02116%0.164CC..Hα-helixtrans-64.5-43.1176.6-173.965000111.9V123 F124 L125 S129 A130 V131 I149 L160 L225 I228V123-L127 PolarHBondContact O-N 3.49Å; V123-L127 VanDerWaalsContact O-N 3.09Å; F124-L127 HydrophobicContact CD2-CD2 4.47Å; F124-L127 PolarHBondContact O-N 2.99Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3.14Å; L127-A130 PolarHBondContact O-N 3.19Å; L127-V131 WeakPolarHBondContact O-CG2 3.12Å; L127-V131 PolarHBondContact O-N 3.02Å; L127-I149 HydrophobicContact CD1-CD1 3.71Å; L127-I149 HydrophobicContact CD1-CG1 3.98Å; L127-I149 HydrophobicContact CD2-CD1 3.61Å; L127-I149 HydrophobicContact CG-CD1 4.32Å; L127-L160 HydrophobicContact CD1-CD1 4.31Å; L127-L225 HydrophobicContact CD2-CD2 3.35Å; L127-L225 HydrophobicContact CG-CD2 3.58Å; L127-I228 HydrophobicContact CD2-CD1 4.08Å; L127-I228 HydrophobicContact CD2-CG2 4Å
128I98.8Very high98.3Very high0 Ų030.4 Ų30.40%017%0.17CC..Hα-helixtrans-58.3-46.7173.6-68.5161.1000110.2F124 L125 A130 V131 E132 L225 L288 L291 V295F124-I128 HydrophobicContact CD1-CD1 3.68Å; F124-I128 HydrophobicContact CD1-CG1 4.36Å; F124-I128 HydrophobicContact CE1-CD1 3.64Å; F124-I128 HydrophobicContact CE1-CG1 4.19Å; F124-I128 HydrophobicContact CZ-CD1 4.44Å; F124-I128 WeakPolarHBondContact O-CG1 3.42Å; F124-I128 PolarHBondContact O-N 3.35Å; L125-I128 HydrophobicContact CD2-CD1 4.31Å; L125-I128 PolarHBondContact O-N 2.94Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.73Å; I128-V131 PolarHBondContact O-N 3.32Å; I128-E132 WeakPolarHBondContact O-CB 3.35Å; I128-E132 PolarHBondContact O-N 3.5Å; I128-L225 HydrophobicContact CG1-CD1 4.41Å; I128-L288 HydrophobicContact CG2-CB 4.28Å; I128-L288 HydrophobicContact CG2-CD2 4.28Å; I128-L291 HydrophobicContact CD1-CD2 4.12Å; I128-L291 HydrophobicContact CD1-CG 3.79Å; I128-L291 HydrophobicContact CG1-CD2 4.18Å; I128-L291 HydrophobicContact CG1-CG 4.36Å; I128-V295 HydrophobicContact CD1-CG2 4.25Å
129S98.8Very high98.4Very high40 Ų4023.9 Ų23.928%0.2814%0.139SC..Hα-helixtrans-59.5-42.2177.8176.30000112.2H75 L125 Q126 L127 H133H75-S129 PolarHBondContact CE1-OG 3.44Å; H75-S129 VanDerWaalsContact CE1-OG 3.25Å; H75-S129 PolarHBondContact NE2-O 2.98Å; H75-S129 PolarHBondContact NE2-OG 3.09Å; H75-S129 VanDerWaalsContact NE2-OG 3.12Å; L125-S129 WeakPolarHBondContact O-CB 3.49Å; L125-S129 PolarHBondContact O-N 3.12Å; Q126-S129 WeakPolarHBondContact O-CB 3.44Å; Q126-S129 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3.14Å; S129-H133 WeakPolarHBondContact O-CB 3.41Å; S129-H133 PolarHBondContact O-N 3.47Å
130A98.8Very high98.5Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-63-47.617600000112.3H75 Y77 I78 Q126 L127 I128 H133 C134 L160H75-A130 PolarHBondContact CE1-N 3.26Å; Y77-A130 WeakPolarHBondContact O-CB 3.33Å; I78-A130 HydrophobicContact CD1-CB 4.43Å; I78-A130 HydrophobicContact CG1-CB 3.88Å; Q126-A130 PolarHBondContact O-N 3.09Å; L127-A130 PolarHBondContact O-N 3.19Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.73Å; A130-H133 PolarHBondContact O-N 3.43Å; A130-C134 PolarHBondContact O-N 2.8Å; A130-C134 PolarHBondContact O-SG 3.44Å; A130-L160 HydrophobicContact CB-CB 4.2Å; A130-L160 HydrophobicContact CB-CD2 4.35Å
131V98.9Very high98.5Very high1 Ų125 Ų251%0.00614%0.144CC..Hα-helixtrans-67.5-38.8-179.8179.10000111.1L127 I128 H133 C134 H135 L144 L160 D221 L225 L288L127-V131 WeakPolarHBondContact O-CG2 3.12Å; L127-V131 PolarHBondContact O-N 3.02Å; I128-V131 PolarHBondContact O-N 3.32Å; V131-H133 VanDerWaalsContact C-N 3.34Å; V131-H133 PolarHBondContact O-N 3.42Å; V131-C134 WeakPolarHBondContact O-CB 2.9Å; V131-C134 PolarHBondContact O-N 2.87Å; V131-H135 PolarHBondContact O-CD2 3.16Å; V131-H135 PolarHBondContact O-N 3.27Å; V131-L144 HydrophobicContact CG1-CD1 4.23Å; V131-L144 HydrophobicContact CG2-CD1 3.73Å; V131-L144 HydrophobicContact CG2-CD2 3.95Å; V131-L160 HydrophobicContact CG2-CD2 4.26Å; V131-D221 HydrophobicContact CG1-CB 4.21Å; V131-L225 HydrophobicContact CG1-CD1 4.49Å; V131-L225 HydrophobicContact CG2-CD1 4.48Å; V131-L225 HydrophobicContact CG2-CD2 4.34Å; V131-L288 HydrophobicContact CB-CD1 4.37Å; V131-L288 HydrophobicContact CG1-CD1 3.87Å; V131-L288 HydrophobicContact CG1-CD2 4.41Å
132E98.7Very high98.4Very high69 Ų6924 Ų2432%0.32214%0.139SC..Hα-helixtrans-62.1-42.2175.3-177.8170.6-133.600111.3I128 H135 S136 L288 P289I128-E132 WeakPolarHBondContact O-CB 3.35Å; I128-E132 PolarHBondContact O-N 3.5Å; E132-H135 PolarHBondContact O-N 3.39Å; E132-S136 WeakPolarHBondContact O-CB 3.39Å; E132-S136 PolarHBondContact O-N 3.13Å; E132-L288 HydrophobicContact CB-CB 4.31Å; E132-L288 HydrophobicContact CB-CD1 3.98Å; E132-P289 WeakPolarHBondContact OE1-CD 3.4Å; E132-P289 VanDerWaalsContact OE1-CG 3.28Å; E132-P289 WeakPolarHBondContact OE1-CG 3.44Å
133H98.7Very high98.3Very high40 Ų4022.6 Ų22.619%0.18513%0.129CC..Hα-helixtrans-60.2-47.5172.8176.867.4000111.9H75 S129 A130 V131 H135 S136 V137H75-H133 HydrophobicContact CB-CB 4.44Å; H75-H133 VanDerWaalsContact CB-CD2 3.49Å; H75-H133 WeakPolarHBondContact CB-CD2 3.49Å; H75-H133 WeakPolarHBondContact CD2-CB 3.46Å; H75-H133 AromaticContact CD2-CD2 3.98Å; H75-H133 AromaticContact CD2-CG 3.5Å; H75-H133 VanDerWaalsContact CD2-CG 3.5Å; H75-H133 AromaticContact CG-CD2 3.91Å; H75-H133 AromaticContact CG-CG 3.88Å; S129-H133 WeakPolarHBondContact O-CB 3.41Å; S129-H133 PolarHBondContact O-N 3.47Å; A130-H133 PolarHBondContact O-N 3.43Å; V131-H133 VanDerWaalsContact C-N 3.34Å; V131-H133 PolarHBondContact O-N 3.42Å; H133-H135 VanDerWaalsContact C-N 3.34Å; H133-H135 PolarHBondContact O-N 3.03Å; H133-S136 WeakPolarHBondContact O-CB 3.14Å; H133-S136 PolarHBondContact O-N 3.24Å; H133-S136 PolarHBondContact O-OG 2.76Å; H133-V137 PolarHBondContact O-N 3.48Å
134C98.8Very high98.3Very high1 Ų122.5 Ų22.51%0.00713%0.129CC..Hα-helixtrans-54.4-49.9174.4-66.50000111.4V72 I78 A130 V131 S136 V137 G138 I139V72-C134 HydrophobicContact CG1-CB 4.44Å; I78-C134 VanDerWaalsContact CD1-SG 3.59Å; A130-C134 PolarHBondContact O-N 2.8Å; A130-C134 PolarHBondContact O-SG 3.44Å; V131-C134 WeakPolarHBondContact O-CB 2.9Å; V131-C134 PolarHBondContact O-N 2.87Å; C134-S136 VanDerWaalsContact C-N 3.29Å; C134-S136 PolarHBondContact O-N 3.06Å; C134-V137 WeakPolarHBondContact O-CG2 3.48Å; C134-V137 PolarHBondContact O-N 2.83Å; C134-G138 PolarHBondContact O-N 2.91Å; C134-I139 CarbonylContact C-O 3.58Å; C134-I139 HydrophobicContact CB-CB 4.44Å; C134-I139 HydrophobicContact CB-CG2 4.49Å; C134-I139 WeakPolarHBondContact CB-O 3.38Å; C134-I139 WeakPolarHBondContact O-CA 3.23Å; C134-I139 PolarHBondContact O-N 3.43Å
135H98.6Very high98.3Very high31 Ų3123.9 Ų23.914%0.14414%0.135CC..Hα-helixtrans-63.8-35.6-179.4-71.2-167.7000111.9V131 E132 H133 V137 G138 I139 Y140 D221 L288V131-H135 PolarHBondContact O-CD2 3.16Å; V131-H135 PolarHBondContact O-N 3.27Å; E132-H135 PolarHBondContact O-N 3.39Å; H133-H135 VanDerWaalsContact C-N 3.34Å; H133-H135 PolarHBondContact O-N 3.03Å; H135-V137 PolarHBondContact O-N 2.85Å; H135-G138 PolarHBondContact O-N 2.96Å; H135-I139 PolarHBondContact CD2-O 3.02Å; H135-I139 PolarHBondContact N-O 3.18Å; H135-Y140 HydrophobicContact CB-CE1 4.48Å; H135-Y140 AromaticContact CD2-CD1 3.59Å; H135-Y140 AromaticContact NE2-CD1 3.74Å; H135-D221 IonicContact CD2-OD2 2.7Å; H135-D221 IonicContact CE1-OD2 3.05Å; H135-D221 IonicContact NE2-OD2 3.94Å; H135-D221 PolarHBondContact NE2-OD2 3.27Å; H135-L288 WeakPolarHBondContact ND1-CD1 3.21Å
136S98.1Very high98.3Very high90 Ų9021.7 Ų21.763%0.62912%0.124SC*.Hα-helixtrans-63.3-28.2178.979.30000113.4E132 H133 C134E132-S136 WeakPolarHBondContact O-CB 3.39Å; E132-S136 PolarHBondContact O-N 3.13Å; H133-S136 WeakPolarHBondContact O-CB 3.14Å; H133-S136 PolarHBondContact O-N 3.24Å; H133-S136 PolarHBondContact O-OG 2.76Å; C134-S136 VanDerWaalsContact C-N 3.29Å; C134-S136 PolarHBondContact O-N 3.06Å
137V97.9Very high98.2Very high47 Ų4724.5 Ų24.529%0.28514%0.137SC..THydrogen-bonded Turntrans-98.812.2175.2-57.90000112.7R71 V72 H133 C134 H135 I139R71-V137 PolarHBondContact NH2-O 2.82Å; V72-V137 HydrophobicContact CG1-CG2 3.59Å; H133-V137 PolarHBondContact O-N 3.48Å; C134-V137 WeakPolarHBondContact O-CG2 3.48Å; C134-V137 PolarHBondContact O-N 2.83Å; H135-V137 PolarHBondContact O-N 2.85Å; V137-I139 HydrophobicContact CG2-CB 4.29Å; V137-I139 HydrophobicContact CG2-CD1 3.92Å; V137-I139 HydrophobicContact CG2-CG1 4.09Å
138G98Very high98.1Very high24 Ų2425 Ų2525%0.24714%0.139CC..THydrogen-bonded Turntrans72.531.7178.300000113.8C134 H135 T168C134-G138 PolarHBondContact O-N 2.91Å; H135-G138 PolarHBondContact O-N 2.96Å; G138-T168 VanDerWaalsContact O-CA 3.28Å; G138-T168 WeakPolarHBondContact O-CA 3.41Å
139I98.6Very high98.1Very high0 Ų025 Ų250%014%0.139CC..  trans-115.8126.4176.7-66173.7000109.3L68 R71 V72 C134 H135 V137 F163 A166 T168L68-I139 HydrophobicContact CB-CD1 4.33Å; L68-I139 HydrophobicContact CD2-CD1 4Å; L68-I139 HydrophobicContact CD2-CG1 4.12Å; R71-I139 HydrophobicContact CB-CD1 3.9Å; V72-I139 HydrophobicContact CG1-CB 4.45Å; V72-I139 HydrophobicContact CG1-CD1 3.72Å; C134-I139 CarbonylContact C-O 3.58Å; C134-I139 HydrophobicContact CB-CB 4.44Å; C134-I139 HydrophobicContact CB-CG2 4.49Å; C134-I139 WeakPolarHBondContact CB-O 3.38Å; C134-I139 WeakPolarHBondContact O-CA 3.23Å; C134-I139 PolarHBondContact O-N 3.43Å; H135-I139 PolarHBondContact CD2-O 3.02Å; H135-I139 PolarHBondContact N-O 3.18Å; V137-I139 HydrophobicContact CG2-CB 4.29Å; V137-I139 HydrophobicContact CG2-CD1 3.92Å; V137-I139 HydrophobicContact CG2-CG1 4.09Å; I139-F163 HydrophobicContact CG2-CD1 4.41Å; I139-A166 HydrophobicContact CG2-CB 4.27Å; I139-T168 HydrophobicContact CG1-CG2 4.49Å
140Y98.4Very high98.1Very high32 Ų3225.3 Ų25.313%0.12514%0.137CC..BIsolated β-bridgetrans-115.9130.3179.2-48.2-77.1000109.5H135 A166 T167 E169 P170 T217 A218H135-Y140 HydrophobicContact CB-CE1 4.48Å; H135-Y140 AromaticContact CD2-CD1 3.59Å; H135-Y140 AromaticContact NE2-CD1 3.74Å; Y140-A166 CarbonylContact O-C 3.5Å; Y140-A166 WeakPolarHBondContact O-CA 3.23Å; Y140-A166 WeakPolarHBondContact O-CB 3.39Å; Y140-T167 HydrophobicContact CD2-CG2 4.29Å; Y140-T167 WeakPolarHBondContact CD2-O 3.16Å; Y140-T167 PolarHBondContact N-O 3.19Å; Y140-T167 PolarHBondContact O-N 3.44Å; Y140-E169 VanDerWaalsContact CD2-O 3.29Å; Y140-E169 WeakPolarHBondContact CD2-O 3.5Å; Y140-P170 HydrophobicContact CE2-CB 4.14Å; Y140-T217 WeakPolarHBondContact CD2-OG1 3.48Å; Y140-A218 HydrophobicContact CD1-CB 3.82Å; Y140-A218 HydrophobicContact CE1-CB 3.67Å
141H98.1Very high98Very high1 Ų125.3 Ų25.31%0.00514%0.137CC..  trans-76.6-42.6-167.2-168.7-79.5000112.3D143 L144 A161 D162 F163 L165 D221H141-D143 PolarHBondContact CE1-O 2.84Å; H141-D143 VanDerWaalsContact CE1-O 3.32Å; H141-D143 PolarHBondContact ND1-N 2.8Å; H141-D143 PolarHBondContact ND1-O 3.31Å; H141-D143 PolarHBondContact O-N 2.72Å; H141-L144 HydrophobicContact CB-CD2 3.8Å; H141-L144 HydrophobicContact CB-CG 3.98Å; H141-L144 PolarHBondContact ND1-N 2.92Å; H141-A161 PolarHBondContact NE2-O 2.78Å; H141-A161 VanDerWaalsContact NE2-O 3.11Å; H141-D162 PolarHBondContact CE1-O 3.23Å; H141-D162 PolarHBondContact NE2-O 2.8Å; H141-F163 AromaticContact CD2-CE1 3.95Å; H141-L165 CarbonylContact O-C 3.6Å; H141-D221 PolarHBondContact N-OD2 2.83Å
142R96.5Very high97.9Very high17 Ų1725.3 Ų25.36%0.06414%0.137CC..SBendtrans63.5-11.3179.8-56.1-167-64.1173.72.9117L165 T167 S172 D174 T217 D221R142-L165 VanDerWaalsContact CZ-O 3.24Å; R142-L165 PolarHBondContact NE-O 2.77Å; R142-L165 PolarHBondContact NH2-O 2.95Å; R142-T167 HydrophobicContact CG-CG2 4.21Å; R142-S172 PolarHBondContact NH1-OG 3.5Å; R142-D174 IonicContact CZ-OD2 3.73Å; R142-D174 IonicContact NH1-OD2 3.38Å; R142-D174 PolarHBondContact NH1-OD2 3.47Å; R142-D174 IonicContact NH2-OD2 3.97Å; R142-T217 HydrophobicContact CG-CG2 4.47Å; R142-D221 WeakPolarHBondContact CA-OD1 3.3Å; R142-D221 PolarHBondContact N-OD1 2.84Å
143D96.4Very high97.6Very high12 Ų1228.1 Ų28.16%0.06415%0.154CC..  trans-132.545.7176.8-161.634.2000113.6H141 K145 N148 L165 G178 S179H141-D143 PolarHBondContact CE1-O 2.84Å; H141-D143 VanDerWaalsContact CE1-O 3.32Å; H141-D143 PolarHBondContact ND1-N 2.8Å; H141-D143 PolarHBondContact ND1-O 3.31Å; H141-D143 PolarHBondContact O-N 2.72Å; D143-K145 PolarHBondContact O-N 3.32Å; D143-K145 IonicContact OD1-NZ 2.63Å; D143-K145 PolarHBondContact OD1-NZ 3.44Å; D143-K145 IonicContact OD2-NZ 3.94Å; D143-K145 PolarHBondContact OD2-NZ 3.3Å; D143-N148 PolarHBondContact O-ND2 3.03Å; D143-N148 VanDerWaalsContact O-ND2 3.15Å; D143-N148 PolarHBondContact OD2-ND2 3.38Å; D143-L165 HydrophobicContact CB-CB 4.14Å; D143-L165 HydrophobicContact CB-CD1 3.78Å; D143-L165 HydrophobicContact CB-CG 4.44Å; D143-G178 VanDerWaalsContact OD1-CA 3.3Å; D143-G178 WeakPolarHBondContact OD1-CA 3.15Å; D143-S179 PolarHBondContact OD1-N 2.95Å
144L98.5Very high97.3Very high1 Ų129.8 Ų29.81%0.00517%0.165CC..  trans-69.6121.1175.9-65.1175.9000110.3V131 H141 L160 D221 A224 L225 I228V131-L144 HydrophobicContact CG1-CD1 4.23Å; V131-L144 HydrophobicContact CG2-CD1 3.73Å; V131-L144 HydrophobicContact CG2-CD2 3.95Å; H141-L144 HydrophobicContact CB-CD2 3.8Å; H141-L144 HydrophobicContact CB-CG 3.98Å; H141-L144 PolarHBondContact ND1-N 2.92Å; L144-L160 HydrophobicContact CD2-CD1 3.54Å; L144-L160 HydrophobicContact CD2-CD2 4.17Å; L144-D221 HydrophobicContact CD1-CB 3.7Å; L144-A224 HydrophobicContact CB-CB 3.77Å; L144-L225 HydrophobicContact CD1-CD2 4.14Å; L144-L225 HydrophobicContact CD1-CG 4.01Å; L144-I228 HydrophobicContact CB-CD1 4.05Å
145K97.9Very high97.1Very high29 Ų2931.9 Ų31.913%0.12618%0.177CC..  trans-159.9159.4177.363.3-166.8-177.4-149.80110.3D143 E147 N148 S179 Y182D143-K145 PolarHBondContact O-N 3.32Å; D143-K145 IonicContact OD1-NZ 2.63Å; D143-K145 PolarHBondContact OD1-NZ 3.44Å; D143-K145 IonicContact OD2-NZ 3.94Å; D143-K145 PolarHBondContact OD2-NZ 3.3Å; K145-E147 WeakPolarHBondContact CB-OE2 3.35Å; K145-E147 HydrophobicContact CD-CB 4.46Å; K145-E147 HydrophobicContact CG-CB 4.19Å; K145-E147 WeakPolarHBondContact CG-OE2 3.41Å; K145-E147 PolarHBondContact O-N 3.27Å; K145-E147 VanDerWaalsContact O-N 3.16Å; K145-N148 WeakPolarHBondContact CE-OD1 3.11Å; K145-N148 HydrophobicContact CG-CB 4.15Å; K145-N148 PolarHBondContact O-N 2.67Å; K145-S179 WeakPolarHBondContact CD-OG 3.4Å; K145-S179 PolarHBondContact NZ-OG 3.11Å; K145-S179 VanDerWaalsContact NZ-OG 3.12Å; K145-Y182 HydrophobicContact CB-CD1 4.23Å; K145-Y182 HydrophobicContact CB-CD2 3.81Å; K145-Y182 HydrophobicContact CB-CE1 4.21Å; K145-Y182 HydrophobicContact CB-CE2 3.77Å; K145-Y182 HydrophobicContact CB-CG 4.07Å
146P98.1Very high97Very high0 Ų034.2 Ų34.20%019%0.191CC..G310 helixtrans-58.4-26.5-178.5-25.536.5000114.7L103 F104 I107 N148 I149 Y182 I228 N231L103-P146 HydrophobicContact CB-CB 4.28Å; L103-P146 WeakPolarHBondContact CB-O 3.48Å; L103-P146 HydrophobicContact CG-CB 4.4Å; L103-P146 PolarHBondContact N-O 2.87Å; F104-P146 HydrophobicContact CB-CB 3.81Å; F104-P146 HydrophobicContact CD2-CB 4.34Å; F104-P146 PolarHBondContact N-O 3.06Å; I107-P146 HydrophobicContact CD1-CB 4.21Å; I107-P146 HydrophobicContact CD1-CG 4.25Å; P146-N148 VanDerWaalsContact C-N 3.28Å; P146-N148 PolarHBondContact O-N 2.74Å; P146-I149 PolarHBondContact O-N 2.84Å; P146-Y182 VanDerWaalsContact CD-CZ 3.46Å; P146-Y182 VanDerWaalsContact CD-OH 3.3Å; P146-Y182 WeakPolarHBondContact CD-OH 3.31Å; P146-Y182 HydrophobicContact CG-CE1 4.34Å; P146-I228 HydrophobicContact CG-CG1 4.37Å; P146-N231 HydrophobicContact CG-CB 4.45Å
147E96.5Very high97Very high76 Ų7631 Ų3136%0.35517%0.168SC..G310 helixtrans-68.9-26176.4-58.491.514200112.8F104 K145 I149F104-E147 HydrophobicContact CB-CG 3.91Å; F104-E147 HydrophobicContact CD2-CG 4.31Å; F104-E147 HydrophobicContact CG-CG 4.12Å; K145-E147 WeakPolarHBondContact CB-OE2 3.35Å; K145-E147 HydrophobicContact CD-CB 4.46Å; K145-E147 HydrophobicContact CG-CB 4.19Å; K145-E147 WeakPolarHBondContact CG-OE2 3.41Å; K145-E147 PolarHBondContact O-N 3.27Å; K145-E147 VanDerWaalsContact O-N 3.16Å; E147-I149 VanDerWaalsContact C-N 3.34Å
148N97.4Very high97.1Very high14 Ų1429 Ų298%0.07516%0.155CC..G310 helixtrans-97.616.4179.2-70.46.1000112D143 K145 P146 A161 D162D143-N148 PolarHBondContact O-ND2 3.03Å; D143-N148 VanDerWaalsContact O-ND2 3.15Å; D143-N148 PolarHBondContact OD2-ND2 3.38Å; K145-N148 WeakPolarHBondContact CE-OD1 3.11Å; K145-N148 HydrophobicContact CG-CB 4.15Å; K145-N148 PolarHBondContact O-N 2.67Å; P146-N148 VanDerWaalsContact C-N 3.28Å; P146-N148 PolarHBondContact O-N 2.74Å; N148-A161 PolarHBondContact O-N 3.15Å; N148-D162 HydrophobicContact CB-CB 4.34Å
149I98.6Very high97.1Very high0 Ų029.8 Ų29.80%015%0.151CC..EExtended strand (participates in β ladder)trans-125117.8178.4-60.8163.1000107.6D102 L103 L127 P146 E147 V158 Y159 L160 I228D102-I149 CarbonylContact C-O 3.59Å; D102-I149 WeakPolarHBondContact CA-O 3.41Å; L103-I149 HydrophobicContact CB-CB 3.95Å; L103-I149 HydrophobicContact CB-CG2 4.04Å; L103-I149 WeakPolarHBondContact CB-O 3.47Å; L103-I149 HydrophobicContact CD2-CB 4.12Å; L103-I149 HydrophobicContact CD2-CD1 4.01Å; L103-I149 HydrophobicContact CD2-CG2 3.89Å; L103-I149 PolarHBondContact N-O 2.92Å; L127-I149 HydrophobicContact CD1-CD1 3.71Å; L127-I149 HydrophobicContact CD1-CG1 3.98Å; L127-I149 HydrophobicContact CD2-CD1 3.61Å; L127-I149 HydrophobicContact CG-CD1 4.32Å; P146-I149 PolarHBondContact O-N 2.84Å; E147-I149 VanDerWaalsContact C-N 3.34Å; I149-V158 HydrophobicContact CG2-CB 3.73Å; I149-V158 HydrophobicContact CG2-CG1 4.21Å; I149-V158 HydrophobicContact CG2-CG2 4.28Å; I149-Y159 CarbonylContact C-O 3.52Å; I149-Y159 WeakPolarHBondContact CA-O 3.32Å; I149-L160 HydrophobicContact CG1-CD1 4.34Å; I149-I228 HydrophobicContact CD1-CD1 4Å; I149-I228 HydrophobicContact CD1-CG2 4.45Å
150M98.2Very high97.1Very high46 Ų4629.8 Ų29.823%0.22715%0.151CC..EExtended strand (participates in β ladder)trans-89.9141.8-179.7-54.4-56.1-68.300110.7I79 C98 G101 D102 V158 Y159 A161I79-M150 HydrophobicContact CD1-CB 3.97Å; I79-M150 HydrophobicContact CD1-CG 3.85Å; I79-M150 HydrophobicContact CG1-CB 4.48Å; I79-M150 HydrophobicContact CG1-CG 3.99Å; C98-M150 HydrophobicContact CB-CB 3.75Å; C98-M150 HydrophobicContact CB-CE 3.93Å; C98-M150 HydrophobicContact CB-CG 4.42Å; C98-M150 VanDerWaalsContact SG-CB 3.56Å; G101-M150 WeakPolarHBondContact O-CA 2.99Å; D102-M150 HydrophobicContact CB-SD 4.48Å; M150-V158 CarbonylContact O-C 3.51Å; M150-V158 VanDerWaalsContact O-CA 3.25Å; M150-V158 WeakPolarHBondContact O-CA 3.45Å; M150-Y159 PolarHBondContact N-O 2.94Å; M150-Y159 PolarHBondContact O-N 3.37Å; M150-A161 HydrophobicContact CG-CB 4.08Å
151V98.2Very high97Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-88.8129.5173.5-176.40000108.7C98 N100 G101 L103 Y106C98-V151 WeakPolarHBondContact CB-O 3.3Å; N100-V151 HydrophobicContact CB-CB 3.91Å; N100-V151 HydrophobicContact CB-CG1 4Å; G101-V151 PolarHBondContact O-N 3.24Å; L103-V151 HydrophobicContact CB-CG2 4.31Å; L103-V151 HydrophobicContact CD1-CG2 4.12Å; Y106-V151 HydrophobicContact CD1-CG1 4.4Å; Y106-V151 HydrophobicContact CD1-CG2 4.49Å; Y106-V151 HydrophobicContact CD2-CB 4.4Å; Y106-V151 HydrophobicContact CD2-CG2 3.9Å; Y106-V151 HydrophobicContact CE1-CG1 4.28Å; Y106-V151 HydrophobicContact CE2-CB 4.45Å; Y106-V151 HydrophobicContact CE2-CG2 4.44Å; Y106-V151 HydrophobicContact CG-CG2 3.96Å
152G95.5Very high96.8Very high1 Ų131.8 Ų31.81%0.0117%0.166CC..  trans-65.9-174.2176.600000113.4N100 D154 T157N100-G152 PolarHBondContact ND2-O 3.03Å; G152-D154 VanDerWaalsContact C-N 3.28Å; G152-D154 CarbonylContact C-O 3.55Å; G152-D154 VanDerWaalsContact C-O 3.3Å; G152-D154 PolarHBondContact O-N 3.49Å; G152-D154 VanDerWaalsContact O-O 3.11Å; G152-T157 PolarHBondContact N-O 3.35Å
153N93.6Very high96.8Very high129 Ų12931.1 Ų31.169%0.6916%0.163SC*.SBendtrans-62.1-40.2177.3-69-22.7000111.5P99 N100P99-N153 VanDerWaalsContact CD-OD1 3.24Å; P99-N153 WeakPolarHBondContact CD-OD1 3.28Å; P99-N153 WeakPolarHBondContact CG-OD1 3.39Å; N100-N153 PolarHBondContact ND2-O 3.38Å; N100-N153 VanDerWaalsContact ND2-O 3.13Å
154D92.4Very high96.6Very high75 Ų7531.9 Ų31.940%0.40118%0.175SC..SBendtrans-87152.8164.366.367.3000110.7G152 N156 T157G152-D154 VanDerWaalsContact C-N 3.28Å; G152-D154 CarbonylContact C-O 3.55Å; G152-D154 VanDerWaalsContact C-O 3.3Å; G152-D154 PolarHBondContact O-N 3.49Å; G152-D154 VanDerWaalsContact O-O 3.11Å; D154-N156 PolarHBondContact O-N 3.34Å; D154-N156 VanDerWaalsContact OD1-C 3.26Å; D154-N156 VanDerWaalsContact OD1-CA 3.31Å; D154-N156 WeakPolarHBondContact OD1-CA 3.29Å; D154-N156 WeakPolarHBondContact OD1-CB 3.31Å; D154-N156 PolarHBondContact OD1-N 3.02Å; D154-T157 VanDerWaalsContact OD1-CB 3.23Å; D154-T157 WeakPolarHBondContact OD1-CB 3.49Å; D154-T157 PolarHBondContact OD1-N 3.35Å; D154-T157 PolarHBondContact OD1-OG1 2.87Å; D154-T157 PolarHBondContact OD2-OG1 2.72Å
155V94Very high96.4Very high45 Ų4534.2 Ų34.227%0.27319%0.187SC..THydrogen-bonded Turntrans-76.3-1.3178.3-580000113.2Y106 V112 Y113 L119Y106-V155 HydrophobicContact CD1-CG1 4.35Å; Y106-V155 HydrophobicContact CE1-CB 4.49Å; Y106-V155 HydrophobicContact CE1-CG1 3.63Å; V112-V155 HydrophobicContact CG1-CB 4.01Å; V112-V155 HydrophobicContact CG1-CG1 4.3Å; V112-V155 HydrophobicContact CG1-CG2 3.96Å; Y113-V155 WeakPolarHBondContact CE1-O 3.36Å; Y113-V155 PolarHBondContact OH-O 2.86Å; L119-V155 HydrophobicContact CD2-CG2 4.35Å
156N96.8Very high96.3Very high80 Ų8033 Ų3343%0.42818%0.182SC..THydrogen-bonded Turntrans-97.3-11.6-175.2-56.2-9.1000112.3L119 Q126 D154L119-N156 HydrophobicContact CD1-CB 4Å; L119-N156 WeakPolarHBondContact CD1-OD1 3.25Å; Q126-N156 PolarHBondContact NE2-O 3.48Å; Q126-N156 PolarHBondContact OE1-O 3.23Å; D154-N156 PolarHBondContact O-N 3.34Å; D154-N156 VanDerWaalsContact OD1-C 3.26Å; D154-N156 VanDerWaalsContact OD1-CA 3.31Å; D154-N156 WeakPolarHBondContact OD1-CA 3.29Å; D154-N156 WeakPolarHBondContact OD1-CB 3.31Å; D154-N156 PolarHBondContact OD1-N 3.02Å
157T98.3Very high96.2Very high23 Ų2333 Ų3314%0.14118%0.182CC..  trans-115.3132.1-177.2-54.20000109.5Y77 Q126 G152 D154 Y159Y77-T157 HydrophobicContact CD1-CG2 4.42Å; Y77-T157 HydrophobicContact CE1-CG2 4.42Å; Q126-T157 VanDerWaalsContact OE1-CA 3.25Å; G152-T157 PolarHBondContact N-O 3.35Å; D154-T157 VanDerWaalsContact OD1-CB 3.23Å; D154-T157 WeakPolarHBondContact OD1-CB 3.49Å; D154-T157 PolarHBondContact OD1-N 3.35Å; D154-T157 PolarHBondContact OD1-OG1 2.87Å; D154-T157 PolarHBondContact OD2-OG1 2.72Å; T157-Y159 HydrophobicContact CG2-CE1 4.38Å; T157-Y159 HydrophobicContact CG2-CE2 3.84Å
158V98.6Very high96.2Very high3 Ų332 Ų322%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-127.9152.6177-65.40000111.3L103 V123 Q126 I149 M150L103-V158 HydrophobicContact CD1-CG1 4.33Å; V123-V158 HydrophobicContact CB-CG1 3.96Å; V123-V158 HydrophobicContact CB-CG2 4.04Å; V123-V158 HydrophobicContact CG1-CG1 3.9Å; V123-V158 WeakPolarHBondContact O-CG2 3.48Å; Q126-V158 HydrophobicContact CB-CG2 4.09Å; I149-V158 HydrophobicContact CG2-CB 3.73Å; I149-V158 HydrophobicContact CG2-CG1 4.21Å; I149-V158 HydrophobicContact CG2-CG2 4.28Å; M150-V158 CarbonylContact O-C 3.51Å; M150-V158 VanDerWaalsContact O-CA 3.25Å; M150-V158 WeakPolarHBondContact O-CA 3.45Å
159Y98.7Very high96.2Very high41 Ų4136.2 Ų36.216%0.16120%0.2CC..EExtended strand (participates in β ladder)trans-128.8124.2-179.2-57.1-88.6000110.2P76 Y77 I79 Q96 I149 M150 T157P76-Y159 WeakPolarHBondContact O-CD1 3.28Å; P76-Y159 WeakPolarHBondContact O-CE1 3.21Å; Y77-Y159 WeakPolarHBondContact O-CA 3.43Å; I79-Y159 HydrophobicContact CD1-CG 4.07Å; Q96-Y159 PolarHBondContact NE2-OH 2.9Å; I149-Y159 CarbonylContact C-O 3.52Å; I149-Y159 WeakPolarHBondContact CA-O 3.32Å; M150-Y159 PolarHBondContact N-O 2.94Å; M150-Y159 PolarHBondContact O-N 3.37Å; T157-Y159 HydrophobicContact CG2-CE1 4.38Å; T157-Y159 HydrophobicContact CG2-CE2 3.84Å
160L98.7Very high96.1Very high1 Ų139 Ų391%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-69.6135.7172.3-179.362.3000110.4Y77 I78 I79 L127 A130 V131 L144 I149 F163Y77-L160 PolarHBondContact O-N 2.87Å; I78-L160 HydrophobicContact CG1-CB 4.31Å; I79-L160 PolarHBondContact N-O 2.63Å; L127-L160 HydrophobicContact CD1-CD1 4.31Å; A130-L160 HydrophobicContact CB-CB 4.2Å; A130-L160 HydrophobicContact CB-CD2 4.35Å; V131-L160 HydrophobicContact CG2-CD2 4.26Å; L144-L160 HydrophobicContact CD2-CD1 3.54Å; L144-L160 HydrophobicContact CD2-CD2 4.17Å; I149-L160 HydrophobicContact CG1-CD1 4.34Å; L160-F163 HydrophobicContact CD2-CZ 4.32Å; L160-F163 HydrophobicContact CG-CZ 4.44Å
161A96.7Very high96Very high15 Ų1544.2 Ų44.212%0.12424%0.237CC..  trans-134.9171.5-178.200000111.3I79 H141 N148 M150I79-A161 HydrophobicContact CB-CB 4.41Å; I79-A161 HydrophobicContact CG1-CB 3.76Å; H141-A161 PolarHBondContact NE2-O 2.78Å; H141-A161 VanDerWaalsContact NE2-O 3.11Å; N148-A161 PolarHBondContact O-N 3.15Å; M150-A161 HydrophobicContact CG-CB 4.08Å
162D93.7Very high95.7Very high60 Ų6044.5 Ų44.532%0.32124%0.239SC..  trans6286.6172.9-167.35.1000116.2H141 N148 G164H141-D162 PolarHBondContact CE1-O 3.23Å; H141-D162 PolarHBondContact NE2-O 2.8Å; N148-D162 HydrophobicContact CB-CB 4.34Å; D162-G164 VanDerWaalsContact C-N 3.32Å; D162-G164 PolarHBondContact O-N 3.14Å; D162-G164 PolarHBondContact OD1-N 2.87Å; D162-G164 VanDerWaalsContact OD1-N 3.11Å
163F95.8Very high95.4Very high2 Ų248.4 Ų48.41%0.00927%0.266CS..  trans-91.318.3176.6-66.8-93000113.4H69 V72 I78 I139 H141 L160 L165 A166H69-F163 HydrophobicContact CB-CB 4.36Å; H69-F163 HydrophobicContact CB-CD2 3.78Å; H69-F163 HydrophobicContact CB-CE2 4.45Å; H69-F163 HydrophobicContact CB-CG 4.22Å; H69-F163 AromaticContact CD2-CD2 3.79Å; H69-F163 AromaticContact CD2-CE2 3.65Å; H69-F163 AromaticContact CG-CD2 3.63Å; H69-F163 AromaticContact CG-CE2 3.99Å; V72-F163 HydrophobicContact CG2-CD1 4.42Å; V72-F163 HydrophobicContact CG2-CE1 3.69Å; V72-F163 HydrophobicContact CG2-CE2 4.06Å; V72-F163 HydrophobicContact CG2-CZ 3.49Å; V72-F163 VanDerWaalsContact CG2-CZ 3.49Å; I78-F163 HydrophobicContact CD1-CZ 4.45Å; I78-F163 HydrophobicContact CG2-CE2 3.93Å; I78-F163 HydrophobicContact CG2-CZ 3.94Å; I139-F163 HydrophobicContact CG2-CD1 4.41Å; H141-F163 AromaticContact CD2-CE1 3.95Å; L160-F163 HydrophobicContact CD2-CZ 4.32Å; L160-F163 HydrophobicContact CG-CZ 4.44Å; F163-L165 PolarHBondContact O-N 2.88Å; F163-L165 VanDerWaalsContact O-N 3.15Å; F163-A166 HydrophobicContact CB-CB 3.94Å; F163-A166 HydrophobicContact CD1-CB 3.96Å; F163-A166 HydrophobicContact CG-CB 4.46Å; F163-A166 VanDerWaalsContact O-CB 3.28Å; F163-A166 WeakPolarHBondContact O-CB 3.35Å; F163-A166 PolarHBondContact O-N 3.34Å
164G92.2Very high95.2Very high29 Ų2945.7 Ų45.730%0.29925%0.252SS..THydrogen-bonded Turntrans-61.3-25.7-174.400000114.6D162D162-G164 VanDerWaalsContact C-N 3.32Å; D162-G164 PolarHBondContact O-N 3.14Å; D162-G164 PolarHBondContact OD1-N 2.87Å; D162-G164 VanDerWaalsContact OD1-N 3.11Å
165L93.4Very high94.9Very high50 Ų5044.1 Ų44.126%0.26224%0.241SC..THydrogen-bonded Turntrans-1063.5175.4-66.1-179.3000113.6H141 R142 D143 F163H141-L165 CarbonylContact O-C 3.6Å; R142-L165 VanDerWaalsContact CZ-O 3.24Å; R142-L165 PolarHBondContact NE-O 2.77Å; R142-L165 PolarHBondContact NH2-O 2.95Å; D143-L165 HydrophobicContact CB-CB 4.14Å; D143-L165 HydrophobicContact CB-CD1 3.78Å; D143-L165 HydrophobicContact CB-CG 4.44Å; F163-L165 PolarHBondContact O-N 2.88Å; F163-L165 VanDerWaalsContact O-N 3.15Å
166A96.7Very high94.3Very high3 Ų344.3 Ų44.33%0.02525%0.252CS..  trans-64.5153.9-177.400000112.1L68 I139 Y140 F163L68-A166 HydrophobicContact CD1-CB 3.82Å; I139-A166 HydrophobicContact CG2-CB 4.27Å; Y140-A166 CarbonylContact O-C 3.5Å; Y140-A166 WeakPolarHBondContact O-CA 3.23Å; Y140-A166 WeakPolarHBondContact O-CB 3.39Å; F163-A166 HydrophobicContact CB-CB 3.94Å; F163-A166 HydrophobicContact CD1-CB 3.96Å; F163-A166 HydrophobicContact CG-CB 4.46Å; F163-A166 VanDerWaalsContact O-CB 3.28Å; F163-A166 WeakPolarHBondContact O-CB 3.35Å; F163-A166 PolarHBondContact O-N 3.34Å
167T96.1Very high93.7Very high1 Ų142.6 Ų42.61%0.00625%0.246CC..BIsolated β-bridgetrans-141.6157178.6-167.60000112.2R64 Y140 R142 E169 T217R64-T167 PolarHBondContact NH2-OG1 2.91Å; Y140-T167 HydrophobicContact CD2-CG2 4.29Å; Y140-T167 WeakPolarHBondContact CD2-O 3.16Å; Y140-T167 PolarHBondContact N-O 3.19Å; Y140-T167 PolarHBondContact O-N 3.44Å; R142-T167 HydrophobicContact CG-CG2 4.21Å; T167-E169 HydrophobicContact CG2-CB 4.38Å; T167-E169 PolarHBondContact OG1-N 2.8Å; T167-T217 HydrophobicContact CG2-CG2 4.02Å
168T97.5Very high93Very high54 Ų5442.9 Ų42.933%0.33125%0.253SS..SBendtrans-94.3-4170.548.40000112.7L68 G138 I139 P170L68-T168 HydrophobicContact CD2-CG2 3.65Å; G138-T168 VanDerWaalsContact O-CA 3.28Å; G138-T168 WeakPolarHBondContact O-CA 3.41Å; I139-T168 HydrophobicContact CG1-CG2 4.49Å; T168-P170 WeakPolarHBondContact O-CD 3.29Å
169E96.6Very high92.7Very high102 Ų10244.1 Ų44.148%0.47726%0.262SS..  trans-84.5121.4-178-59.5-54.6139.200110.9Y140 T167 Y171 T217Y140-E169 VanDerWaalsContact CD2-O 3.29Å; Y140-E169 WeakPolarHBondContact CD2-O 3.5Å; T167-E169 HydrophobicContact CG2-CB 4.38Å; T167-E169 PolarHBondContact OG1-N 2.8Å; E169-Y171 WeakPolarHBondContact CB-O 3.26Å; E169-Y171 PolarHBondContact O-N 3.38Å; E169-T217 VanDerWaalsContact O-CG2 3.26Å; E169-T217 WeakPolarHBondContact O-CG2 3.35Å; E169-T217 PolarHBondContact O-OG1 3.21Å
170P96.5Very high92.4Very high59 Ų5945.6 Ų45.638%0.38327%0.272SS..SBendtrans-67.8-23.8174.726.2-33000112.5Y140 T168 A216 T217Y140-P170 HydrophobicContact CE2-CB 4.14Å; T168-P170 WeakPolarHBondContact O-CD 3.29Å; P170-A216 WeakPolarHBondContact O-CA 3.48Å; P170-T217 WeakPolarHBondContact CA-OG1 3.49Å; P170-T217 PolarHBondContact O-N 3.31Å; P170-T217 PolarHBondContact O-OG1 3.13Å; P170-T217 VanDerWaalsContact O-OG1 3.04Å
171Y95.9Very high92.2Very high155 Ų15550.1 Ų50.161%0.60829%0.292SS*.EExtended strand (participates in β ladder)trans-126.2124.1174.1-63.9-85.3000109.2E169 F215 A216E169-Y171 WeakPolarHBondContact CB-O 3.26Å; E169-Y171 PolarHBondContact O-N 3.38Å; Y171-F215 CarbonylContact C-O 3.58Å; Y171-F215 VanDerWaalsContact CA-O 3.3Å; Y171-F215 WeakPolarHBondContact CA-O 3.41Å; Y171-A216 HydrophobicContact CD1-CB 4.25Å; Y171-A216 HydrophobicContact CE1-CB 4Å
172S92.7Very high92.3Very high6 Ų649.9 Ų49.94%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-118.1140.7-177.7-176.30000111.3R142 D174 S214 F215R142-S172 PolarHBondContact NH1-OG 3.5Å; S172-D174 WeakPolarHBondContact OG-CB 3.49Å; S172-D174 PolarHBondContact OG-N 3.45Å; S172-D174 VanDerWaalsContact OG-N 3.13Å; S172-D174 PolarHBondContact OG-OD2 3.49Å; S172-S214 CarbonylContact O-C 3.52Å; S172-S214 WeakPolarHBondContact O-CA 3.18Å; S172-S214 WeakPolarHBondContact O-CB 3.45Å; S172-F215 PolarHBondContact N-O 3.23Å; S172-F215 WeakPolarHBondContact O-CD1 3.16Å; S172-F215 WeakPolarHBondContact O-CE1 3.49Å; S172-F215 PolarHBondContact O-N 3.26Å
173S89.4Confident92.3Very high83 Ų8347.4 Ų47.458%0.5828%0.275SS*.  trans-95.22.7169.2540000113F175 S213S173-F175 WeakPolarHBondContact O-CD2 3.48Å; S173-F175 PolarHBondContact O-N 3.21Å; S173-S213 VanDerWaalsContact CB-O 3.23Å; S173-S213 WeakPolarHBondContact CB-O 3.46Å
174D88Confident92.3Very high73 Ų7347.3 Ų47.339%0.3927%0.274SS..  trans-78.767.9176.3-60.3-34.4000110.1R142 S172 C177R142-D174 IonicContact CZ-OD2 3.73Å; R142-D174 IonicContact NH1-OD2 3.38Å; R142-D174 PolarHBondContact NH1-OD2 3.47Å; R142-D174 IonicContact NH2-OD2 3.97Å; S172-D174 WeakPolarHBondContact OG-CB 3.49Å; S172-D174 PolarHBondContact OG-N 3.45Å; S172-D174 VanDerWaalsContact OG-N 3.13Å; S172-D174 PolarHBondContact OG-OD2 3.49Å; D174-C177 HydrophobicContact CB-CB 4.48Å
175F85.5Confident92.4Very high42 Ų4247.1 Ų47.118%0.18427%0.268CS..THydrogen-bonded Turntrans-64.1145.6178.3-62.2-80000111.4S173 C177 R189 V191 S213 F215S173-F175 WeakPolarHBondContact O-CD2 3.48Å; S173-F175 PolarHBondContact O-N 3.21Å; F175-C177 PolarHBondContact O-N 2.87Å; F175-R189 WeakPolarHBondContact CB-O 3.38Å; F175-R189 HydrophobicContact CD1-CB 4.42Å; F175-V191 HydrophobicContact CD2-CG2 3.67Å; F175-V191 HydrophobicContact CE2-CG2 3.93Å; F175-V191 HydrophobicContact CG-CG2 4.47Å; F175-S213 WeakPolarHBondContact CE2-O 3.36Å; F175-F215 AromaticContact CD1-CD1 3.8Å; F175-F215 HydrophobicContact CD1-CD1 3.8Å; F175-F215 HydrophobicContact CD1-CE1 4.38Å; F175-F215 HydrophobicContact CE1-CB 4.3Å; F175-F215 AromaticContact CE1-CD1 3.8Å; F175-F215 HydrophobicContact CE1-CD1 3.8Å
176G83.2Confident92.3Very high49 Ų4945.4 Ų45.451%0.50526%0.258SS..THydrogen-bonded Turntrans746.7176.400000115.3M183 C187G176-M183 VanDerWaalsContact CA-CE 3.45Å; G176-M183 WeakPolarHBondContact O-CE 3.07Å; G176-C187 PolarHBondContact N-O 3.21Å
177C82.6Confident92Very high44 Ų4445.3 Ų45.330%0.29726%0.257SS..  trans-80.3129173.1-68.30000112.5D174 F175 M183D174-C177 HydrophobicContact CB-CB 4.48Å; F175-C177 PolarHBondContact O-N 2.87Å; C177-M183 WeakPolarHBondContact O-CE 3.37Å
178G84.5Confident91.6Very high28 Ų2846 Ų4629%0.28926%0.261SS..SBendtrans113.8-174.618000000112.8D143 L180D143-G178 VanDerWaalsContact OD1-CA 3.3Å; D143-G178 WeakPolarHBondContact OD1-CA 3.15Å; G178-L180 PolarHBondContact O-N 2.95Å
179S91.5Very high90.3Very high29 Ų2949.3 Ų49.320%0.20327%0.267CS..  trans-79.7116.9179.3-76.10000112.5D143 K145 F181 Y182 M183D143-S179 PolarHBondContact OD1-N 2.95Å; K145-S179 WeakPolarHBondContact CD-OG 3.4Å; K145-S179 PolarHBondContact NZ-OG 3.11Å; K145-S179 VanDerWaalsContact NZ-OG 3.12Å; S179-F181 PolarHBondContact O-N 2.86Å; S179-Y182 PolarHBondContact O-N 3.3Å; S179-M183 PolarHBondContact O-N 3.35Å
180L93.2Very high88.4Confident73 Ų7352.4 Ų52.438%0.38228%0.282SS..G310 helixtrans-49.3-36.2-173.5-175.861.9000115.5G178 Y182 M183 Q188 R241G178-L180 PolarHBondContact O-N 2.95Å; L180-Y182 PolarHBondContact O-N 3.04Å; L180-M183 PolarHBondContact O-N 2.86Å; L180-Q188 HydrophobicContact CD1-CG 4.21Å; L180-Q188 PolarHBondContact O-NE2 3.37Å; L180-R241 HydrophobicContact CD1-CG 4.04Å; L180-R241 HydrophobicContact CD2-CG 3.72Å; L180-R241 HydrophobicContact CG-CG 3.84Å
181F95.3Very high86Confident95 Ų9554.1 Ų54.142%0.41729%0.291SS..G310 helixtrans-65.2-25.9178.7-61.8-72.7000113.8S179 K240S179-F181 PolarHBondContact O-N 2.86Å; F181-K240 HydrophobicContact CD1-CB 4.5Å; F181-K240 HydrophobicContact CE1-CB 4.09Å; F181-K240 HydrophobicContact CE1-CG 4.19Å
182Y97.1Very high83.6Confident11 Ų1155.4 Ų55.44%0.04330%0.299CS..G310 helixtrans-105.6-5.6-173.8-58.4-88.2000112.5K145 P146 S179 L180 W223 A224 I227 I228 N231K145-Y182 HydrophobicContact CB-CD1 4.23Å; K145-Y182 HydrophobicContact CB-CD2 3.81Å; K145-Y182 HydrophobicContact CB-CE1 4.21Å; K145-Y182 HydrophobicContact CB-CE2 3.77Å; K145-Y182 HydrophobicContact CB-CG 4.07Å; P146-Y182 VanDerWaalsContact CD-CZ 3.46Å; P146-Y182 VanDerWaalsContact CD-OH 3.3Å; P146-Y182 WeakPolarHBondContact CD-OH 3.31Å; P146-Y182 HydrophobicContact CG-CE1 4.34Å; S179-Y182 PolarHBondContact O-N 3.3Å; L180-Y182 PolarHBondContact O-N 3.04Å; Y182-W223 VanDerWaalsContact O-CD1 3.28Å; Y182-A224 WeakPolarHBondContact O-CA 3.06Å; Y182-A224 WeakPolarHBondContact O-CB 3.29Å; Y182-I227 HydrophobicContact CD1-CB 3.79Å; Y182-I227 HydrophobicContact CD1-CG2 3.49Å; Y182-I227 VanDerWaalsContact CD1-CG2 3.49Å; Y182-I227 HydrophobicContact CE1-CB 4.19Å; Y182-I227 HydrophobicContact CE1-CG2 3.5Å; Y182-I227 HydrophobicContact CG-CG2 4.33Å; Y182-I228 HydrophobicContact CD1-CG1 4.25Å; Y182-I228 HydrophobicContact CE1-CG1 4.16Å; Y182-N231 WeakPolarHBondContact CE1-OD1 3.49Å; Y182-N231 PolarHBondContact OH-OD1 2.88Å
183M95.1Very high81.1Confident8 Ų863.5 Ų63.54%0.03933%0.334CS..  trans-81138.9-173.9-170.3178.9-8500112G176 C177 S179 L180 C187 Q188 W223G176-M183 VanDerWaalsContact CA-CE 3.45Å; G176-M183 WeakPolarHBondContact O-CE 3.07Å; C177-M183 WeakPolarHBondContact O-CE 3.37Å; S179-M183 PolarHBondContact O-N 3.35Å; L180-M183 PolarHBondContact O-N 2.86Å; M183-C187 VanDerWaalsContact CE-SG 3.56Å; M183-C187 HydrophobicContact CG-CB 3.5Å; M183-C187 VanDerWaalsContact CG-CB 3.5Å; M183-C187 WeakPolarHBondContact CG-SG 3.46Å; M183-C187 HydrophobicContact SD-CB 4.08Å; M183-Q188 HydrophobicContact CB-CG 3.85Å; M183-Q188 HydrophobicContact CG-CG 3.56Å; M183-Q188 PolarHBondContact O-NE2 3.32Å; M183-Q188 HydrophobicContact SD-CB 4.18Å; M183-Q188 HydrophobicContact SD-CG 3.39Å; M183-Q188 WeakPolarHBondContact SD-CG 3.4Å; M183-W223 PolarHBondContact O-NE1 2.88Å
184S95.6Very high78.7Confident0 Ų068.2 Ų68.20%035%0.352CS..  trans-71.9158.5175.973.40000112.8E186 C187 Q188 N220S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 VanDerWaalsContact CB-CD 3.49Å; S184-E186 WeakPolarHBondContact CB-OE1 3.43Å; S184-E186 PolarHBondContact O-N 3.04Å; S184-E186 PolarHBondContact OG-OE1 3.36Å; S184-E186 PolarHBondContact OG-OE2 3.25Å; S184-C187 PolarHBondContact O-N 3.4Å; S184-C187 VanDerWaalsContact O-N 3.16Å; S184-C187 PolarHBondContact OG-N 2.9Å; S184-Q188 WeakPolarHBondContact O-CG 3.33Å; S184-Q188 PolarHBondContact O-N 2.93Å; S184-Q188 VanDerWaalsContact O-N 3.07Å; S184-N220 WeakPolarHBondContact CB-OD1 3.42Å; S184-N220 PolarHBondContact N-OD1 3.09Å; S184-N220 PolarHBondContact OG-OD1 3.28Å
185P93.6Very high76.6Confident24 Ų2468.8 Ų68.816%0.15636%0.361CS..THydrogen-bonded Turntrans-55.3-39.3178-24.130.6000113.8Q188 W223 A242 Y250P185-Q188 PolarHBondContact O-N 2.83Å; P185-W223 HydrophobicContact CG-CH2 3.73Å; P185-W223 HydrophobicContact CG-CZ2 4.17Å; P185-W223 HydrophobicContact CG-CZ3 3.95Å; P185-A242 HydrophobicContact CB-CB 4.48Å; P185-A242 WeakPolarHBondContact CB-O 3.5Å; P185-A242 HydrophobicContact CG-CB 3.75Å; P185-Y250 HydrophobicContact CG-CE2 4.47Å; P185-Y250 WeakPolarHBondContact CG-OH 3.35Å
186E91.6Very high74.7Confident15 Ų1572 Ų727%0.0739%0.389CS..THydrogen-bonded Turntrans-72-27.2-179.566-80.4-179.800113.5S184 F215 P282 R285S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 VanDerWaalsContact CB-CD 3.49Å; S184-E186 WeakPolarHBondContact CB-OE1 3.43Å; S184-E186 PolarHBondContact O-N 3.04Å; S184-E186 PolarHBondContact OG-OE1 3.36Å; S184-E186 PolarHBondContact OG-OE2 3.25Å; E186-F215 HydrophobicContact CB-CB 4.32Å; E186-F215 HydrophobicContact CG-CB 3.97Å; E186-P282 HydrophobicContact CG-CG 4.44Å; E186-R285 IonicContact OE1-CZ 3.47Å; E186-R285 IonicContact OE1-NH1 3.55Å; E186-R285 PolarHBondContact OE1-NH1 2.92Å; E186-R285 IonicContact OE1-NH2 3.19Å; E186-R285 PolarHBondContact OE1-NH2 2.66Å; E186-R285 IonicContact OE2-CZ 2.7Å; E186-R285 IonicContact OE2-NH1 3.67Å; E186-R285 IonicContact OE2-NH2 3.18Å; E186-R285 PolarHBondContact OE2-NH2 3.18Å
187C91.2Very high72.6Confident0 Ų076.6 Ų76.60%040%0.401CS..THydrogen-bonded Turntrans-80.7-28.1174.4-176.80000112G176 M183 S184 R189 F215 N220G176-C187 PolarHBondContact N-O 3.21Å; M183-C187 VanDerWaalsContact CE-SG 3.56Å; M183-C187 HydrophobicContact CG-CB 3.5Å; M183-C187 VanDerWaalsContact CG-CB 3.5Å; M183-C187 WeakPolarHBondContact CG-SG 3.46Å; M183-C187 HydrophobicContact SD-CB 4.08Å; S184-C187 PolarHBondContact O-N 3.4Å; S184-C187 VanDerWaalsContact O-N 3.16Å; S184-C187 PolarHBondContact OG-N 2.9Å; C187-R189 VanDerWaalsContact C-N 3.28Å; C187-R189 PolarHBondContact O-N 3.2Å; C187-F215 HydrophobicContact CB-CD1 4.45Å; C187-F215 HydrophobicContact CB-CD2 3.95Å; C187-F215 HydrophobicContact CB-CE1 4.42Å; C187-F215 HydrophobicContact CB-CE2 3.91Å; C187-F215 HydrophobicContact CB-CG 4.23Å; C187-F215 HydrophobicContact CB-CZ 4.16Å; C187-F215 WeakPolarHBondContact SG-CZ 3.46Å; C187-N220 WeakPolarHBondContact CB-OD1 3.46Å
188Q87.1Confident70.9Confident17 Ų1779.7 Ų79.78%0.07942%0.423CS..SBendtrans-76.6-5.5178.1-71.1-171.348.400114.9L180 M183 S184 P185 E190 A242L180-Q188 HydrophobicContact CD1-CG 4.21Å; L180-Q188 PolarHBondContact O-NE2 3.37Å; M183-Q188 HydrophobicContact CB-CG 3.85Å; M183-Q188 HydrophobicContact CG-CG 3.56Å; M183-Q188 PolarHBondContact O-NE2 3.32Å; M183-Q188 HydrophobicContact SD-CB 4.18Å; M183-Q188 HydrophobicContact SD-CG 3.39Å; M183-Q188 WeakPolarHBondContact SD-CG 3.4Å; S184-Q188 WeakPolarHBondContact O-CG 3.33Å; S184-Q188 PolarHBondContact O-N 2.93Å; S184-Q188 VanDerWaalsContact O-N 3.07Å; P185-Q188 PolarHBondContact O-N 2.83Å; Q188-E190 PolarHBondContact O-N 3.5Å; Q188-A242 VanDerWaalsContact NE2-N 3.11Å
189R70.4Confident68.9Low122 Ų12284.6 Ų84.646%0.4644%0.443SS..  trans-64.3100-179-69.8-178-178.8174.9-3108.9F175 C187 V191 E209F175-R189 WeakPolarHBondContact CB-O 3.38Å; F175-R189 HydrophobicContact CD1-CB 4.42Å; C187-R189 VanDerWaalsContact C-N 3.28Å; C187-R189 PolarHBondContact O-N 3.2Å; R189-V191 PolarHBondContact O-N 3.3Å; R189-E209 PolarHBondContact NH1-O 3.3Å
190E55.4Low66.5Low168 Ų16891.5 Ų91.579%0.78547%0.474SS*.  trans-56115.1161.5-162.9172.1-157.300105.3Q188 K192Q188-E190 PolarHBondContact O-N 3.5Å; E190-K192 PolarHBondContact O-N 2.99Å
191V46.9Very low63.9Low94 Ų9495.2 Ų95.257%0.5749%0.493SS*.  trans-53.2103.8166.2175.70000103.5F175 R189 K193F175-V191 HydrophobicContact CD2-CG2 3.67Å; F175-V191 HydrophobicContact CE2-CG2 3.93Å; F175-V191 HydrophobicContact CG-CG2 4.47Å; R189-V191 PolarHBondContact O-N 3.3Å; V191-K193 PolarHBondContact O-N 3.34Å
192K44.9Very low61.3Low183 Ų18396.7 Ų96.780%0.79651%0.513SS*.  trans-54.397.7166-73.5-174.3178.2-175.30103.3E190 L194E190-K192 PolarHBondContact O-N 2.99Å; K192-L194 PolarHBondContact O-N 3.49Å
193K40Very low58.8Low176 Ų176101 Ų10177%0.76554%0.54SS*.  trans-54.4106.8165.3-85.8-177.7178175.80102.4V191 S195V191-K193 PolarHBondContact O-N 3.34Å; K193-S195 PolarHBondContact O-N 2.91Å
194L41Very low56.2Low182 Ų182106.3 Ų106.395%0.95357%0.573SS**SBendtrans-69.651.5173.1-170.674.9000108.5K192K192-L194 PolarHBondContact O-N 3.49Å
195S43.1Very low53.7Low85 Ų85111.8 Ų111.859%0.59461%0.609SS**  trans-14757.3177.351.50000108.1K193K193-S195 PolarHBondContact O-N 2.91Å
196S44.9Very low51.7Low108 Ų108115.9 Ų115.976%0.75563%0.625SS**SBendtrans-171.396.6141.9-81.30000109
197L40.6Very low49.3Very low146 Ų146120.3 Ų120.376%0.76466%0.655SS**  trans63.5109148.1-59.7166.7000118.1D199L197-D199 PolarHBondContact O-N 3.43Å
198S46.3Very low47.2Very low110 Ų110126.8 Ų126.877%0.76969%0.689SS**  trans-3699.2141.251.80000111.9
199D42.7Very low45.2Very low131 Ų131131.7 Ų131.770%0.70171%0.712SS**  trans-140.8100.5156.4-83.6-41.4000109.9L197L197-D199 PolarHBondContact O-N 3.43Å
200M40.2Very low44.1Very low174 Ų174131.3 Ų131.386%0.85773%0.728SS**  trans49.777.1132.2-61-70.5-17600117.2
201L39Very low44Very low150 Ų150132.2 Ų132.279%0.78573%0.732SS**  trans-165.4134.4135.4-88.5-171.1000109.2V203L201-V203 VanDerWaalsContact C-N 3.25Å; L201-V203 PolarHBondContact O-N 3.27Å
202P40.4Very low45Very low127 Ų127130.8 Ų130.883%0.82573%0.726SS**  trans-75.482.1174.431.7-31.3000108.9T204P202-T204 PolarHBondContact O-N 3.12Å
203V44.1Very low46.8Very low100 Ų100126.5 Ų126.561%0.60672%0.719SS**  trans-72.5117.8168.2178.60000106.8L201 P205L201-V203 VanDerWaalsContact C-N 3.25Å; L201-V203 PolarHBondContact O-N 3.27Å; V203-P205 WeakPolarHBondContact O-CD 3.33Å
204T40.3Very low49.2Very low120 Ų120119.7 Ų119.774%0.73669%0.694SS**  trans-47.4106.9168.148.30000108.4P202 E206P202-T204 PolarHBondContact O-N 3.12Å; T204-E206 PolarHBondContact O-N 3.41Å
205P44.1Very low51.6Low116 Ų116111.4 Ų111.475%0.75365%0.65SS**  trans-67.4124.5179.1-8.623.6000106.2V203 P207V203-P205 WeakPolarHBondContact O-CD 3.33Å; P205-P207 WeakPolarHBondContact O-CD 3.47Å; P205-P207 VanDerWaalsContact O-N 3.14Å
206E51.7Low54.1Low109 Ų109108.2 Ų108.251%0.50963%0.629SS.*  trans-44.6123.4166.3-67.1-84.713400108.3T204 R280T204-E206 PolarHBondContact O-N 3.41Å; E206-R280 IonicContact OE2-CZ 3.53Å; E206-R280 IonicContact OE2-NH1 3.43Å; E206-R280 PolarHBondContact OE2-NH1 3.25Å; E206-R280 IonicContact OE2-NH2 2.83Å; E206-R280 PolarHBondContact OE2-NH2 3.35Å
207P42.1Very low56.6Low108 Ų108103 Ų10370%0.70159%0.593SS**SBendtrans-65.4142.9169.9-1226.6000108.1P205P205-P207 WeakPolarHBondContact O-CD 3.47Å; P205-P207 VanDerWaalsContact O-N 3.14Å
208I46.1Very low59.4Low136 Ų13697.4 Ų97.470%0.69757%0.567SS**SBendtrans115102.4169.3-54.9152.1000113.4
209E45.5Very low61.8Low120 Ų12093.5 Ų93.556%0.56154%0.539SS*.  trans50.370.5161.8-61.9-178.2-166.900115.1R189 Q211 K283R189-E209 PolarHBondContact NH1-O 3.3Å; E209-Q211 PolarHBondContact O-N 3.16Å; E209-K283 IonicContact OE1-NZ 2.93Å; E209-K283 PolarHBondContact OE1-NZ 3.42Å; E209-K283 IonicContact OE2-NZ 2.7Å; E209-K283 PolarHBondContact OE2-NZ 3.07Å
210S46.2Very low64.5Low115 Ų11587.4 Ų87.480%0.80451%0.507SS*.THydrogen-bonded Turntrans-79.413.2-17041.40000116.8
211Q54.6Low67.2Low187 Ų18779.1 Ų79.187%0.87447%0.466SS*.THydrogen-bonded Turntrans-154.121.3-175.6-105.3170.12800115.6E209 S213E209-Q211 PolarHBondContact O-N 3.16Å; Q211-S213 PolarHBondContact O-N 3.01Å; Q211-S213 VanDerWaalsContact O-N 3.15Å
212S67.1Low70.1Confident63 Ų6372.2 Ų72.244%0.44143%0.43SS..  trans-67.3118.8175.2-169.50000110.1S214S212-S214 WeakPolarHBondContact CB-O 3.48Å; S212-S214 PolarHBondContact O-N 3.22Å; S212-S214 VanDerWaalsContact O-N 3.17Å; S212-S214 PolarHBondContact OG-O 3.46Å
213S82.5Confident72.8Confident94 Ų9466.2 Ų66.266%0.65739%0.391SS*.SBendtrans-70.80.1176.156.60000113.5S173 F175 Q211S173-S213 VanDerWaalsContact CB-O 3.23Å; S173-S213 WeakPolarHBondContact CB-O 3.46Å; F175-S213 WeakPolarHBondContact CE2-O 3.36Å; Q211-S213 PolarHBondContact O-N 3.01Å; Q211-S213 VanDerWaalsContact O-N 3.15Å
214S90.2Very high75.4Confident32 Ų3261.6 Ų61.622%0.22436%0.363CS..  trans-148.7161.1-17862.80000112.1S172 S212S172-S214 CarbonylContact O-C 3.52Å; S172-S214 WeakPolarHBondContact O-CA 3.18Å; S172-S214 WeakPolarHBondContact O-CB 3.45Å; S212-S214 WeakPolarHBondContact CB-O 3.48Å; S212-S214 PolarHBondContact O-N 3.22Å; S212-S214 VanDerWaalsContact O-N 3.17Å; S212-S214 PolarHBondContact OG-O 3.46Å
215F92.7Very high78.2Confident8 Ų855.9 Ų55.94%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-121.2152.1171.669.2-84.6000110.9Y171 S172 F175 E186 C187 T217 N220Y171-F215 CarbonylContact C-O 3.58Å; Y171-F215 VanDerWaalsContact CA-O 3.3Å; Y171-F215 WeakPolarHBondContact CA-O 3.41Å; S172-F215 PolarHBondContact N-O 3.23Å; S172-F215 WeakPolarHBondContact O-CD1 3.16Å; S172-F215 WeakPolarHBondContact O-CE1 3.49Å; S172-F215 PolarHBondContact O-N 3.26Å; F175-F215 AromaticContact CD1-CD1 3.8Å; F175-F215 HydrophobicContact CD1-CD1 3.8Å; F175-F215 HydrophobicContact CD1-CE1 4.38Å; F175-F215 HydrophobicContact CE1-CB 4.3Å; F175-F215 AromaticContact CE1-CD1 3.8Å; F175-F215 HydrophobicContact CE1-CD1 3.8Å; E186-F215 HydrophobicContact CB-CB 4.32Å; E186-F215 HydrophobicContact CG-CB 3.97Å; C187-F215 HydrophobicContact CB-CD1 4.45Å; C187-F215 HydrophobicContact CB-CD2 3.95Å; C187-F215 HydrophobicContact CB-CE1 4.42Å; C187-F215 HydrophobicContact CB-CE2 3.91Å; C187-F215 HydrophobicContact CB-CG 4.23Å; C187-F215 HydrophobicContact CB-CZ 4.16Å; C187-F215 WeakPolarHBondContact SG-CZ 3.46Å; F215-T217 HydrophobicContact CE2-CG2 4.18Å; F215-N220 HydrophobicContact CD2-CB 4.28Å; F215-N220 HydrophobicContact CE2-CB 4.14Å
216A95.7Very high80.8Confident18 Ų1850.3 Ų50.315%0.14929%0.292CS..EExtended strand (participates in β ladder)trans-74.4125.1176.700000110.7P170 Y171 P219P170-A216 WeakPolarHBondContact O-CA 3.48Å; Y171-A216 HydrophobicContact CD1-CB 4.25Å; Y171-A216 HydrophobicContact CE1-CB 4Å; A216-P219 HydrophobicContact CB-CG 3.92Å
217T97.2Very high83Confident0 Ų045.1 Ų45.10%027%0.268CS..Hα-helixtrans-78-40.9-171.151.10000113.2Y140 R142 T167 E169 P170 F215 N220 D221Y140-T217 WeakPolarHBondContact CD2-OG1 3.48Å; R142-T217 HydrophobicContact CG-CG2 4.47Å; T167-T217 HydrophobicContact CG2-CG2 4.02Å; E169-T217 VanDerWaalsContact O-CG2 3.26Å; E169-T217 WeakPolarHBondContact O-CG2 3.35Å; E169-T217 PolarHBondContact O-OG1 3.21Å; P170-T217 WeakPolarHBondContact CA-OG1 3.49Å; P170-T217 PolarHBondContact O-N 3.31Å; P170-T217 PolarHBondContact O-OG1 3.13Å; P170-T217 VanDerWaalsContact O-OG1 3.04Å; F215-T217 HydrophobicContact CE2-CG2 4.18Å; T217-N220 WeakPolarHBondContact O-CB 3.19Å; T217-N220 PolarHBondContact O-N 3.32Å; T217-D221 PolarHBondContact O-N 2.71Å
218A98.1Very high85.7Confident27 Ų2740 Ų4022%0.22323%0.234CC..Hα-helixtrans-60.9-49.317800000114Y140 N220 D221 V222Y140-A218 HydrophobicContact CD1-CB 3.82Å; Y140-A218 HydrophobicContact CE1-CB 3.67Å; A218-N220 PolarHBondContact O-N 3.46Å; A218-D221 WeakPolarHBondContact O-CB 3.48Å; A218-D221 PolarHBondContact O-N 2.99Å; A218-D221 VanDerWaalsContact O-N 3.11Å; A218-V222 PolarHBondContact O-N 3.38Å
219P98.2Very high88.2Confident28 Ų2833.5 Ų33.518%0.18220%0.201CC..Hα-helixtrans-61.9-27.4175.4-25.635.8000113.7A216 V222 W223 P282 R285A216-P219 HydrophobicContact CB-CG 3.92Å; P219-V222 PolarHBondContact O-N 3.21Å; P219-W223 PolarHBondContact O-N 3.37Å; P219-W223 VanDerWaalsContact O-N 3.08Å; P219-P282 HydrophobicContact CB-CB 3.77Å; P219-P282 HydrophobicContact CG-CB 4.14Å; P219-P282 WeakPolarHBondContact CG-O 3.41Å; P219-R285 VanDerWaalsContact C-NH1 3.3Å; P219-R285 WeakPolarHBondContact O-CD 3.27Å; P219-R285 PolarHBondContact O-NH1 3.48Å
220N97.5Very high90.7Very high4 Ų427.8 Ų27.82%0.02118%0.175CC..Hα-helixtrans-67-40.2173.8173.681.4000111.5S184 C187 F215 T217 A218 V222 W223 A224S184-N220 WeakPolarHBondContact CB-OD1 3.42Å; S184-N220 PolarHBondContact N-OD1 3.09Å; S184-N220 PolarHBondContact OG-OD1 3.28Å; C187-N220 WeakPolarHBondContact CB-OD1 3.46Å; F215-N220 HydrophobicContact CD2-CB 4.28Å; F215-N220 HydrophobicContact CE2-CB 4.14Å; T217-N220 WeakPolarHBondContact O-CB 3.19Å; T217-N220 PolarHBondContact O-N 3.32Å; A218-N220 PolarHBondContact O-N 3.46Å; N220-V222 VanDerWaalsContact C-N 3.32Å; N220-V222 PolarHBondContact O-N 2.93Å; N220-W223 WeakPolarHBondContact O-CB 3.45Å; N220-W223 PolarHBondContact O-N 3.45Å; N220-A224 PolarHBondContact O-N 3.33Å; N220-A224 VanDerWaalsContact O-N 3.13Å
221D98.5Very high93.2Very high0 Ų022.7 Ų22.70%014%0.138CC..Hα-helixtrans-62.8-40173.5-73-12.1000111.3V131 H135 H141 R142 L144 T217 A218 W223 A224 L225V131-D221 HydrophobicContact CG1-CB 4.21Å; H135-D221 IonicContact CD2-OD2 2.7Å; H135-D221 IonicContact CE1-OD2 3.05Å; H135-D221 IonicContact NE2-OD2 3.94Å; H135-D221 PolarHBondContact NE2-OD2 3.27Å; H141-D221 PolarHBondContact N-OD2 2.83Å; R142-D221 WeakPolarHBondContact CA-OD1 3.3Å; R142-D221 PolarHBondContact N-OD1 2.84Å; L144-D221 HydrophobicContact CD1-CB 3.7Å; T217-D221 PolarHBondContact O-N 2.71Å; A218-D221 WeakPolarHBondContact O-CB 3.48Å; A218-D221 PolarHBondContact O-N 2.99Å; A218-D221 VanDerWaalsContact O-N 3.11Å; D221-W223 VanDerWaalsContact C-N 3.3Å; D221-W223 PolarHBondContact O-N 3.43Å; D221-A224 PolarHBondContact O-N 3.23Å; D221-L225 WeakPolarHBondContact O-CG 3.31Å; D221-L225 PolarHBondContact O-N 3.38Å
222V98.7Very high95.2Very high5 Ų514 Ų143%0.0310%0.097CC..Hα-helixtrans-59.8-40174.4175.60000111.9A218 P219 N220 L225 G226 I277 R285 I286 L288A218-V222 PolarHBondContact O-N 3.38Å; P219-V222 PolarHBondContact O-N 3.21Å; N220-V222 VanDerWaalsContact C-N 3.32Å; N220-V222 PolarHBondContact O-N 2.93Å; V222-L225 WeakPolarHBondContact O-CB 3.46Å; V222-L225 PolarHBondContact O-N 3.35Å; V222-G226 PolarHBondContact O-N 2.99Å; V222-G226 VanDerWaalsContact O-N 3.16Å; V222-I277 HydrophobicContact CG1-CG2 4.19Å; V222-I277 VanDerWaalsContact O-CG2 3.24Å; V222-I277 WeakPolarHBondContact O-CG2 3.47Å; V222-R285 HydrophobicContact CG1-CG 4.27Å; V222-I286 HydrophobicContact CG1-CG2 3.83Å; V222-L288 HydrophobicContact CG2-CD2 3.9Å; V222-L288 HydrophobicContact CG2-CG 4.13Å
223W98.6Very high96.6Very high0 Ų011.1 Ų11.10%08%0.077CC..Hα-helixtrans-60.2-48.6175.2-179.8-77.2000111.5Y182 M183 P185 P219 N220 D221 L225 G226 I227 W239 A242 Y250 F278Y182-W223 VanDerWaalsContact O-CD1 3.28Å; M183-W223 PolarHBondContact O-NE1 2.88Å; P185-W223 HydrophobicContact CG-CH2 3.73Å; P185-W223 HydrophobicContact CG-CZ2 4.17Å; P185-W223 HydrophobicContact CG-CZ3 3.95Å; P219-W223 PolarHBondContact O-N 3.37Å; P219-W223 VanDerWaalsContact O-N 3.08Å; N220-W223 WeakPolarHBondContact O-CB 3.45Å; N220-W223 PolarHBondContact O-N 3.45Å; D221-W223 VanDerWaalsContact C-N 3.3Å; D221-W223 PolarHBondContact O-N 3.43Å; W223-L225 VanDerWaalsContact C-N 3.29Å; W223-L225 PolarHBondContact O-N 3Å; W223-G226 WeakPolarHBondContact O-CA 3.49Å; W223-G226 PolarHBondContact O-N 3.25Å; W223-I227 PolarHBondContact O-N 3.38Å; W223-W239 HydrophobicContact CH2-CZ2 4.15Å; W223-W239 AromaticContact CZ2-CZ2 3.59Å; W223-W239 HydrophobicContact CZ2-CZ2 3.59Å; W223-A242 HydrophobicContact CH2-CB 4.21Å; W223-A242 HydrophobicContact CZ2-CB 3.5Å; W223-A242 VanDerWaalsContact CZ2-CB 3.5Å; W223-Y250 AromaticContact CH2-CE2 3.85Å; W223-Y250 HydrophobicContact CH2-CE2 3.85Å; W223-Y250 HydrophobicContact CZ2-CE2 4.24Å; W223-F278 AromaticContact CD2-CD1 3.65Å; W223-F278 HydrophobicContact CD2-CD1 3.65Å; W223-F278 HydrophobicContact CD2-CE1 4.17Å; W223-F278 AromaticContact CE2-CD1 3.74Å; W223-F278 HydrophobicContact CE3-CB 4.29Å; W223-F278 AromaticContact CE3-CD1 3.71Å; W223-F278 HydrophobicContact CE3-CD1 3.71Å; W223-F278 HydrophobicContact CE3-CG 4.46Å; W223-F278 HydrophobicContact CG-CD1 4.26Å; W223-F278 HydrophobicContact CG-CE1 4.41Å; W223-F278 HydrophobicContact CH2-CB 3.89Å; W223-F278 AromaticContact CH2-CD1 3.89Å; W223-F278 HydrophobicContact CH2-CD1 3.89Å; W223-F278 HydrophobicContact CH2-CG 4.16Å; W223-F278 AromaticContact CZ2-CD1 3.86Å; W223-F278 HydrophobicContact CZ2-CD1 3.86Å; W223-F278 HydrophobicContact CZ2-CE1 4.4Å; W223-F278 HydrophobicContact CZ2-CG 4.45Å; W223-F278 VanDerWaalsContact CZ3-CA 3.5Å; W223-F278 HydrophobicContact CZ3-CB 3.71Å; W223-F278 AromaticContact CZ3-CD1 3.84Å; W223-F278 HydrophobicContact CZ3-CD1 3.84Å; W223-F278 HydrophobicContact CZ3-CG 4.2Å
224A98.6Very high97.2Very high3 Ų37.3 Ų7.33%0.0255%0.051CC..Hα-helixtrans-60.1-39.6178.800000112L144 Y182 N220 D221 G226 I227 I228L144-A224 HydrophobicContact CB-CB 3.77Å; Y182-A224 WeakPolarHBondContact O-CA 3.06Å; Y182-A224 WeakPolarHBondContact O-CB 3.29Å; N220-A224 PolarHBondContact O-N 3.33Å; N220-A224 VanDerWaalsContact O-N 3.13Å; D221-A224 PolarHBondContact O-N 3.23Å; A224-G226 VanDerWaalsContact C-N 3.28Å; A224-G226 PolarHBondContact O-N 3.29Å; A224-I227 PolarHBondContact O-N 3.44Å; A224-I227 VanDerWaalsContact O-N 3.1Å; A224-I228 WeakPolarHBondContact O-CG1 3.3Å; A224-I228 PolarHBondContact O-N 3.36Å
225L98.8Very high97.3Very high0 Ų08 Ų80%05%0.05CC..Hα-helixtrans-57.3-39.2171.8-70.6175.1000112.4F124 L127 I128 V131 L144 D221 V222 W223 I227 I228 L229 L288 L291F124-L225 HydrophobicContact CE2-CB 4.12Å; F124-L225 HydrophobicContact CE2-CD2 4.24Å; F124-L225 WeakPolarHBondContact CE2-O 3.26Å; F124-L225 HydrophobicContact CZ-CB 3.94Å; F124-L225 WeakPolarHBondContact CZ-O 3.42Å; L127-L225 HydrophobicContact CD2-CD2 3.35Å; L127-L225 HydrophobicContact CG-CD2 3.58Å; I128-L225 HydrophobicContact CG1-CD1 4.41Å; V131-L225 HydrophobicContact CG1-CD1 4.49Å; V131-L225 HydrophobicContact CG2-CD1 4.48Å; V131-L225 HydrophobicContact CG2-CD2 4.34Å; L144-L225 HydrophobicContact CD1-CD2 4.14Å; L144-L225 HydrophobicContact CD1-CG 4.01Å; D221-L225 WeakPolarHBondContact O-CG 3.31Å; D221-L225 PolarHBondContact O-N 3.38Å; V222-L225 WeakPolarHBondContact O-CB 3.46Å; V222-L225 PolarHBondContact O-N 3.35Å; W223-L225 VanDerWaalsContact C-N 3.29Å; W223-L225 PolarHBondContact O-N 3Å; L225-I227 VanDerWaalsContact C-N 3.33Å; L225-I227 PolarHBondContact O-N 2.97Å; L225-I228 PolarHBondContact O-N 3.1Å; L225-L229 PolarHBondContact O-N 3.35Å; L225-L288 HydrophobicContact CD1-CD2 3.49Å; L225-L288 VanDerWaalsContact CD1-CD2 3.49Å; L225-L291 HydrophobicContact CD1-CD2 4.29Å
226G98.6Very high97.2Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-60.4-40.9174.200000113.4V222 W223 A224 L229 I230V222-G226 PolarHBondContact O-N 2.99Å; V222-G226 VanDerWaalsContact O-N 3.16Å; W223-G226 WeakPolarHBondContact O-CA 3.49Å; W223-G226 PolarHBondContact O-N 3.25Å; A224-G226 VanDerWaalsContact C-N 3.28Å; A224-G226 PolarHBondContact O-N 3.29Å; G226-L229 PolarHBondContact O-N 3.42Å; G226-I230 WeakPolarHBondContact O-CG1 3.44Å; G226-I230 PolarHBondContact O-N 3.15Å; G226-I230 VanDerWaalsContact O-N 3.14Å
227I98.5Very high97.2Very high0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-67.5-42.6176.7-56.9-66.1000110.3Y182 W223 A224 L225 L229 I230 N231 N237 P238 W239 F278Y182-I227 HydrophobicContact CD1-CB 3.79Å; Y182-I227 HydrophobicContact CD1-CG2 3.49Å; Y182-I227 VanDerWaalsContact CD1-CG2 3.49Å; Y182-I227 HydrophobicContact CE1-CB 4.19Å; Y182-I227 HydrophobicContact CE1-CG2 3.5Å; Y182-I227 HydrophobicContact CG-CG2 4.33Å; W223-I227 PolarHBondContact O-N 3.38Å; A224-I227 PolarHBondContact O-N 3.44Å; A224-I227 VanDerWaalsContact O-N 3.1Å; L225-I227 VanDerWaalsContact C-N 3.33Å; L225-I227 PolarHBondContact O-N 2.97Å; I227-L229 VanDerWaalsContact C-N 3.34Å; I227-L229 PolarHBondContact O-N 2.85Å; I227-I230 WeakPolarHBondContact O-CB 3.37Å; I227-I230 PolarHBondContact O-N 2.91Å; I227-I230 VanDerWaalsContact O-N 3.17Å; I227-N231 VanDerWaalsContact O-CG 3.29Å; I227-N231 PolarHBondContact O-N 3.07Å; I227-N231 PolarHBondContact O-ND2 3.44Å; I227-N237 WeakPolarHBondContact CG2-OD1 3.44Å; I227-P238 HydrophobicContact CD1-CG 3.79Å; I227-W239 HydrophobicContact CD1-CZ2 3.96Å; I227-F278 HydrophobicContact CD1-CE1 3.72Å; I227-F278 HydrophobicContact CD1-CZ 3.58Å; I227-F278 HydrophobicContact CG1-CE1 3.99Å; I227-F278 HydrophobicContact CG1-CZ 4.14Å
228I98.6Very high97.1Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-60.6-42.1175.5-66.3164000111.1L127 L144 P146 I149 Y182 A224 L225 I230 N231 L232L127-I228 HydrophobicContact CD2-CD1 4.08Å; L127-I228 HydrophobicContact CD2-CG2 4Å; L144-I228 HydrophobicContact CB-CD1 4.05Å; P146-I228 HydrophobicContact CG-CG1 4.37Å; I149-I228 HydrophobicContact CD1-CD1 4Å; I149-I228 HydrophobicContact CD1-CG2 4.45Å; Y182-I228 HydrophobicContact CD1-CG1 4.25Å; Y182-I228 HydrophobicContact CE1-CG1 4.16Å; A224-I228 WeakPolarHBondContact O-CG1 3.3Å; A224-I228 PolarHBondContact O-N 3.36Å; L225-I228 PolarHBondContact O-N 3.1Å; I228-I230 VanDerWaalsContact C-N 3.31Å; I228-I230 PolarHBondContact O-N 3.13Å; I228-N231 WeakPolarHBondContact O-CB 3.49Å; I228-N231 PolarHBondContact O-N 3.17Å; I228-L232 HydrophobicContact CG2-CD1 4.17Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.46Å
229L98.4Very high97Very high0 Ų014.1 Ų14.10%07%0.068CC..Hα-helixtrans-60.8-40.7175.9-176.855.9000111.9I120 F124 L225 G226 I227 C233 L270 L273 I277 L301I120-L229 HydrophobicContact CG2-CD1 3.98Å; F124-L229 HydrophobicContact CD1-CD1 4.01Å; F124-L229 HydrophobicContact CD1-CD2 4.36Å; F124-L229 HydrophobicContact CD2-CB 4.24Å; F124-L229 HydrophobicContact CD2-CD1 4.29Å; F124-L229 HydrophobicContact CE1-CB 4.22Å; F124-L229 HydrophobicContact CE1-CD1 4.25Å; F124-L229 HydrophobicContact CE1-CD2 3.85Å; F124-L229 HydrophobicContact CE1-CG 4.33Å; F124-L229 HydrophobicContact CE2-CB 3.75Å; F124-L229 HydrophobicContact CG-CD1 4.03Å; F124-L229 HydrophobicContact CZ-CB 3.73Å; F124-L229 HydrophobicContact CZ-CD2 4.12Å; F124-L229 HydrophobicContact CZ-CG 4.34Å; L225-L229 PolarHBondContact O-N 3.35Å; G226-L229 PolarHBondContact O-N 3.42Å; I227-L229 VanDerWaalsContact C-N 3.34Å; I227-L229 PolarHBondContact O-N 2.85Å; L229-C233 PolarHBondContact O-N 3.07Å; L229-C233 VanDerWaalsContact O-N 3.14Å; L229-C233 PolarHBondContact O-SG 3.42Å; L229-L270 HydrophobicContact CD2-CD1 3.51Å; L229-L270 HydrophobicContact CG-CD1 4.03Å; L229-L273 HydrophobicContact CD2-CD2 4.2Å; L229-I277 HydrophobicContact CD2-CD1 4.43Å; L229-L301 HydrophobicContact CD1-CD1 4.44Å
230I97.7Very high96.8Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-64.3-43172.4-68.2173000110.6G226 I227 I228 L232 C233 C234 R236 P238 L264 L274 F278G226-I230 WeakPolarHBondContact O-CG1 3.44Å; G226-I230 PolarHBondContact O-N 3.15Å; G226-I230 VanDerWaalsContact O-N 3.14Å; I227-I230 WeakPolarHBondContact O-CB 3.37Å; I227-I230 PolarHBondContact O-N 2.91Å; I227-I230 VanDerWaalsContact O-N 3.17Å; I228-I230 VanDerWaalsContact C-N 3.31Å; I228-I230 PolarHBondContact O-N 3.13Å; I230-L232 PolarHBondContact O-N 3.2Å; I230-C233 PolarHBondContact O-N 2.98Å; I230-C233 VanDerWaalsContact O-N 3.17Å; I230-C234 HydrophobicContact CG2-CB 4.17Å; I230-C234 WeakPolarHBondContact O-CA 3.47Å; I230-C234 VanDerWaalsContact O-CB 3.29Å; I230-C234 WeakPolarHBondContact O-CB 3.38Å; I230-C234 PolarHBondContact O-N 2.87Å; I230-R236 VanDerWaalsContact CG2-O 3.29Å; I230-R236 WeakPolarHBondContact CG2-O 3.42Å; I230-P238 HydrophobicContact CD1-CB 4.14Å; I230-P238 HydrophobicContact CD1-CG 3.7Å; I230-L264 HydrophobicContact CD1-CD1 4.02Å; I230-L264 HydrophobicContact CG1-CD1 4.22Å; I230-L264 HydrophobicContact CG2-CD1 3.65Å; I230-L264 HydrophobicContact CG2-CD2 4.49Å; I230-L274 HydrophobicContact CD1-CD1 3.99Å; I230-L274 HydrophobicContact CD1-CD2 4.01Å; I230-L274 HydrophobicContact CG1-CD1 3.87Å; I230-L274 HydrophobicContact CG1-CD2 3.83Å; I230-F278 HydrophobicContact CD1-CE2 3.68Å; I230-F278 HydrophobicContact CD1-CZ 3.92Å
231N97.9Very high96.5Very high8 Ų823.8 Ų23.84%0.04310%0.104CC..Hα-helixtrans-59.4-46.5178.4-65.8170.3000111.2I107 P146 Y182 I227 I228 C233 C234 K235 R236 N237I107-N231 HydrophobicContact CD1-CB 4.09Å; I107-N231 HydrophobicContact CG2-CB 4.45Å; I107-N231 VanDerWaalsContact CG2-O 3.25Å; I107-N231 WeakPolarHBondContact CG2-O 3.45Å; P146-N231 HydrophobicContact CG-CB 4.45Å; Y182-N231 WeakPolarHBondContact CE1-OD1 3.49Å; Y182-N231 PolarHBondContact OH-OD1 2.88Å; I227-N231 VanDerWaalsContact O-CG 3.29Å; I227-N231 PolarHBondContact O-N 3.07Å; I227-N231 PolarHBondContact O-ND2 3.44Å; I228-N231 WeakPolarHBondContact O-CB 3.49Å; I228-N231 PolarHBondContact O-N 3.17Å; N231-C233 VanDerWaalsContact C-N 3.27Å; N231-C233 PolarHBondContact O-N 3.14Å; N231-C234 PolarHBondContact O-N 3.4Å; N231-K235 VanDerWaalsContact O-CA 3.31Å; N231-K235 WeakPolarHBondContact O-CA 3.2Å; N231-K235 PolarHBondContact O-N 3.14Å; N231-R236 PolarHBondContact ND2-O 3.44Å; N231-R236 VanDerWaalsContact ND2-O 3.14Å; N231-N237 PolarHBondContact ND2-OD1 3.22Å
232L97.6Very high96.3Very high3 Ų324 Ų242%0.01611%0.105CC..Hα-helixtrans-56.9-39.8175.2-74.6165.9000112.3L103 I107 Y113 I120 V123 F124 I228 I230L103-L232 HydrophobicContact CD1-CD2 4.24Å; L103-L232 HydrophobicContact CD2-CD2 4.34Å; I107-L232 HydrophobicContact CD1-CD2 3.81Å; I107-L232 HydrophobicContact CD1-CG 4.05Å; I107-L232 HydrophobicContact CG1-CD2 4.02Å; Y113-L232 HydrophobicContact CD1-CD2 4.12Å; Y113-L232 HydrophobicContact CD2-CD2 3.95Å; Y113-L232 HydrophobicContact CE2-CD2 4.46Å; Y113-L232 HydrophobicContact CG-CD2 3.77Å; I120-L232 HydrophobicContact CG1-CB 4.24Å; I120-L232 HydrophobicContact CG2-CB 3.81Å; I120-L232 HydrophobicContact CG2-CD1 4.18Å; V123-L232 HydrophobicContact CG2-CD1 4.08Å; V123-L232 HydrophobicContact CG2-CD2 4.03Å; F124-L232 HydrophobicContact CB-CD1 4.32Å; F124-L232 HydrophobicContact CD2-CD1 4.12Å; I228-L232 HydrophobicContact CG2-CD1 4.17Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.46Å; I230-L232 PolarHBondContact O-N 3.2Å
233C95.9Very high96Very high3 Ų325.2 Ų25.22%0.0211%0.114CC..Hα-helixtrans-80.8-36.6-179-64.80000113.9L229 I230 N231 L270 T302L229-C233 PolarHBondContact O-N 3.07Å; L229-C233 VanDerWaalsContact O-N 3.14Å; L229-C233 PolarHBondContact O-SG 3.42Å; I230-C233 PolarHBondContact O-N 2.98Å; I230-C233 VanDerWaalsContact O-N 3.17Å; N231-C233 VanDerWaalsContact C-N 3.27Å; N231-C233 PolarHBondContact O-N 3.14Å; C233-L270 HydrophobicContact CB-CD2 4.47Å; C233-T302 HydrophobicContact CB-CG2 4.08Å
234C94.4Very high95.5Very high14 Ų1426.5 Ų26.510%0.09512%0.123CC..Hα-helixtrans-132.8-10.5-159-640000115I230 N231 R236 L264I230-C234 HydrophobicContact CG2-CB 4.17Å; I230-C234 WeakPolarHBondContact O-CA 3.47Å; I230-C234 VanDerWaalsContact O-CB 3.29Å; I230-C234 WeakPolarHBondContact O-CB 3.38Å; I230-C234 PolarHBondContact O-N 2.87Å; N231-C234 PolarHBondContact O-N 3.4Å; C234-R236 HydrophobicContact CB-CG 4.25Å; C234-R236 PolarHBondContact O-N 3.42Å; C234-L264 HydrophobicContact CB-CD2 4.27Å
235K92Very high95Very high48 Ų4833.7 Ų33.721%0.20916%0.156CC..SBendtrans61.517.8178.5-50.9177.1178.5172.20116I107 K111 N231I107-K235 HydrophobicContact CG2-CB 4.17Å; I107-K235 HydrophobicContact CG2-CG 3.88Å; I107-K235 VanDerWaalsContact O-CD 3.29Å; I107-K235 WeakPolarHBondContact O-CD 3.25Å; I107-K235 WeakPolarHBondContact O-CE 3.47Å; I107-K235 WeakPolarHBondContact O-CG 3.46Å; K111-K235 VanDerWaalsContact CD-NZ 3.3Å; N231-K235 VanDerWaalsContact O-CA 3.31Å; N231-K235 WeakPolarHBondContact O-CA 3.2Å; N231-K235 PolarHBondContact O-N 3.14Å
236R92.3Very high94.5Very high118 Ų11837.6 Ų37.645%0.44518%0.18SC..SBendtrans-143.2155.6179.358.9-177.7155.4145.20.1109.9I230 N231 C234 I263 L264I230-R236 VanDerWaalsContact CG2-O 3.29Å; I230-R236 WeakPolarHBondContact CG2-O 3.42Å; N231-R236 PolarHBondContact ND2-O 3.44Å; N231-R236 VanDerWaalsContact ND2-O 3.14Å; C234-R236 HydrophobicContact CB-CG 4.25Å; C234-R236 PolarHBondContact O-N 3.42Å; R236-I263 PolarHBondContact NH1-O 2.7Å; R236-I263 PolarHBondContact NH2-O 2.79Å; R236-L264 HydrophobicContact CG-CD2 4.07Å
237N95.7Very high94.2Very high47 Ų4738.4 Ų38.425%0.25118%0.184SC..  trans-80.3144.4168.3-64.6-43.3000109.5I227 N231 W239I227-N237 WeakPolarHBondContact CG2-OD1 3.44Å; N231-N237 PolarHBondContact ND2-OD1 3.22Å; N237-W239 WeakPolarHBondContact CB-O 3.43Å; N237-W239 PolarHBondContact O-N 2.98Å
238P94.9Very high93.9Very high8 Ų840.8 Ų40.85%0.05221%0.209CC..SBendtrans-68-26.1175.529-35.5000112.3I227 I230 T249 L260 L264I227-P238 HydrophobicContact CD1-CG 3.79Å; I230-P238 HydrophobicContact CD1-CB 4.14Å; I230-P238 HydrophobicContact CD1-CG 3.7Å; P238-T249 WeakPolarHBondContact O-CG2 3.19Å; P238-L260 HydrophobicContact CB-CD2 3.59Å; P238-L264 HydrophobicContact CB-CD1 4.5Å
239W95.5Very high93.7Very high8 Ų843.3 Ų43.33%0.0323%0.225CC..  trans-150.7163.6179.841.573000110.1W223 I227 N237 D247 Y250 Y253 L260 F278W223-W239 HydrophobicContact CH2-CZ2 4.15Å; W223-W239 AromaticContact CZ2-CZ2 3.59Å; W223-W239 HydrophobicContact CZ2-CZ2 3.59Å; I227-W239 HydrophobicContact CD1-CZ2 3.96Å; N237-W239 WeakPolarHBondContact CB-O 3.43Å; N237-W239 PolarHBondContact O-N 2.98Å; W239-D247 WeakPolarHBondContact CB-OD2 3.24Å; W239-Y250 AromaticContact CD2-CD2 3.84Å; W239-Y250 HydrophobicContact CD2-CD2 3.84Å; W239-Y250 AromaticContact CE2-CD2 4Å; W239-Y250 AromaticContact CE3-CD2 3.94Å; W239-Y250 HydrophobicContact CE3-CD2 3.94Å; W239-Y250 HydrophobicContact CG-CD2 4.38Å; W239-Y250 HydrophobicContact CH2-CD2 4.34Å; W239-Y250 HydrophobicContact CZ2-CD2 4.27Å; W239-Y250 HydrophobicContact CZ3-CD2 4.18Å; W239-Y253 HydrophobicContact CH2-CD1 4.05Å; W239-Y253 HydrophobicContact CH2-CE1 4.29Å; W239-Y253 HydrophobicContact CH2-CG 4.28Å; W239-Y253 AromaticContact CZ3-CD1 3.93Å; W239-Y253 HydrophobicContact CZ3-CD1 3.93Å; W239-Y253 HydrophobicContact CZ3-CD2 4.35Å; W239-Y253 AromaticContact CZ3-CG 3.8Å; W239-Y253 HydrophobicContact CZ3-CG 3.8Å; W239-L260 HydrophobicContact CH2-CD2 4.42Å; W239-L260 HydrophobicContact CZ3-CD2 3.79Å; W239-F278 AromaticContact CH2-CD2 3.68Å; W239-F278 HydrophobicContact CH2-CD2 3.68Å; W239-F278 AromaticContact CH2-CE2 3.85Å; W239-F278 HydrophobicContact CH2-CE2 3.85Å; W239-F278 HydrophobicContact CH2-CG 4.06Å; W239-F278 HydrophobicContact CH2-CZ 4.39Å; W239-F278 HydrophobicContact CZ2-CD1 4.2Å; W239-F278 HydrophobicContact CZ2-CD2 4.08Å; W239-F278 HydrophobicContact CZ2-CE1 4.19Å; W239-F278 HydrophobicContact CZ2-CE2 4.05Å; W239-F278 HydrophobicContact CZ2-CG 4.14Å; W239-F278 HydrophobicContact CZ2-CZ 4.12Å
240K93.4Very high93.5Very high150 Ų15043.5 Ų43.565%0.65223%0.226SC*.SBendtrans-83-34.8172.2-62.7-178.1179.1178.40111.3F181 D247F181-K240 HydrophobicContact CD1-CB 4.5Å; F181-K240 HydrophobicContact CE1-CB 4.09Å; F181-K240 HydrophobicContact CE1-CG 4.19Å; K240-D247 PolarHBondContact N-OD2 2.76Å
241R92.7Very high93.4Very high85 Ų8550.3 Ų50.332%0.32125%0.251SS..  trans-143.3141.3-179.4-64.9-175.571.8172.10.9110.4L180 C243 D247L180-R241 HydrophobicContact CD1-CG 4.04Å; L180-R241 HydrophobicContact CD2-CG 3.72Å; L180-R241 HydrophobicContact CG-CG 3.84Å; R241-C243 HydrophobicContact CB-CB 4.37Å; R241-C243 PolarHBondContact O-N 3.04Å; R241-D247 HydrophobicContact CB-CB 4.44Å; R241-D247 PolarHBondContact N-OD2 3.43Å; R241-D247 WeakPolarHBondContact O-CB 3.12Å
242A93.4Very high93.2Very high3 Ų352.7 Ų52.73%0.02527%0.268CS..SBendtrans-84.455174.300000110.2P185 Q188 W223 Y250P185-A242 HydrophobicContact CB-CB 4.48Å; P185-A242 WeakPolarHBondContact CB-O 3.5Å; P185-A242 HydrophobicContact CG-CB 3.75Å; Q188-A242 VanDerWaalsContact NE2-N 3.11Å; W223-A242 HydrophobicContact CH2-CB 4.21Å; W223-A242 HydrophobicContact CZ2-CB 3.5Å; W223-A242 VanDerWaalsContact CZ2-CB 3.5Å; A242-Y250 VanDerWaalsContact C-CD1 3.43Å; A242-Y250 VanDerWaalsContact C-CE1 3.43Å; A242-Y250 HydrophobicContact CB-CD2 4.15Å; A242-Y250 HydrophobicContact CB-CE2 3.97Å; A242-Y250 WeakPolarHBondContact O-CE1 3.33Å
243C91.6Very high93.1Very high32 Ų3253.1 Ų53.122%0.21627%0.27CS..  trans-137114.1-176.8178.10000110.5R241 Q245 T246 D247 Y250R241-C243 HydrophobicContact CB-CB 4.37Å; R241-C243 PolarHBondContact O-N 3.04Å; C243-Q245 PolarHBondContact O-N 3.47Å; C243-Q245 VanDerWaalsContact O-N 3.15Å; C243-T246 WeakPolarHBondContact CB-OG1 3.17Å; C243-T246 PolarHBondContact O-N 3.25Å; C243-T246 VanDerWaalsContact O-N 3.13Å; C243-D247 PolarHBondContact O-N 3Å; C243-Y250 VanDerWaalsContact N-CD1 3.28Å
244S88.9Confident93Very high27 Ų2754.9 Ų54.919%0.18928%0.281CS..THydrogen-bonded Turntrans-66.1-19-174.3-55.70000113.6Y250S244-Y250 WeakPolarHBondContact OG-CD1 3.42Å; S244-Y250 WeakPolarHBondContact OG-CE1 3.48Å
245Q88.6Confident93Very high154 Ų15460.9 Ų60.972%0.7231%0.307SS*.THydrogen-bonded Turntrans-78.2-31.6177.5-63.1173.413.700112C243C243-Q245 PolarHBondContact O-N 3.47Å; C243-Q245 VanDerWaalsContact O-N 3.15Å
246T88.7Confident93.1Very high82 Ų8262.5 Ų62.550%0.50332%0.318SS..THydrogen-bonded Turntrans-113-14.9-17361.40000114.2C243C243-T246 WeakPolarHBondContact CB-OG1 3.17Å; C243-T246 PolarHBondContact O-N 3.25Å; C243-T246 VanDerWaalsContact O-N 3.13Å
247D91.5Very high93.1Very high16 Ų1659.7 Ų59.79%0.08632%0.315CS..  trans-128.8112.9-176.8-166.7-60.2000111.6W239 K240 R241 C243 T249 Y250 R251W239-D247 WeakPolarHBondContact CB-OD2 3.24Å; K240-D247 PolarHBondContact N-OD2 2.76Å; R241-D247 HydrophobicContact CB-CB 4.44Å; R241-D247 PolarHBondContact N-OD2 3.43Å; R241-D247 WeakPolarHBondContact O-CB 3.12Å; C243-D247 PolarHBondContact O-N 3Å; D247-T249 VanDerWaalsContact C-N 3.35Å; D247-T249 PolarHBondContact O-N 2.99Å; D247-T249 WeakPolarHBondContact OD1-CB 3.22Å; D247-T249 PolarHBondContact OD1-N 3.46Å; D247-Y250 PolarHBondContact O-N 3.43Å; D247-Y250 PolarHBondContact OD1-N 3.22Å; D247-R251 WeakPolarHBondContact O-CB 3.49Å; D247-R251 PolarHBondContact O-N 2.96Å
248G92.3Very high93Very high51 Ų5160.4 Ų60.453%0.52632%0.324SS..Hα-helixtrans-66-33.9-177.700000113.6R251 S252G248-R251 PolarHBondContact O-N 2.98Å; G248-S252 PolarHBondContact O-N 3.17Å; G248-S252 PolarHBondContact O-OG 3.24Å
249T93.8Very high93Very high53 Ų5360.7 Ų60.733%0.32533%0.325SS..Hα-helixtrans-71.4-43.2179.5-53.70000110.7P238 D247 R251 S252 Y253 I263P238-T249 WeakPolarHBondContact O-CG2 3.19Å; D247-T249 VanDerWaalsContact C-N 3.35Å; D247-T249 PolarHBondContact O-N 2.99Å; D247-T249 WeakPolarHBondContact OD1-CB 3.22Å; D247-T249 PolarHBondContact OD1-N 3.46Å; T249-R251 VanDerWaalsContact C-N 3.33Å; T249-S252 PolarHBondContact O-N 3.12Å; T249-Y253 PolarHBondContact O-N 3Å; T249-I263 HydrophobicContact CG2-CD1 3.38Å
250Y94.5Very high92.9Very high4 Ų460.3 Ų60.32%0.01632%0.324CS..Hα-helixtrans-62.4-41.2172.9-177-104000111.4P185 W223 W239 A242 C243 S244 D247 S252 Y253 V254P185-Y250 HydrophobicContact CG-CE2 4.47Å; P185-Y250 WeakPolarHBondContact CG-OH 3.35Å; W223-Y250 AromaticContact CH2-CE2 3.85Å; W223-Y250 HydrophobicContact CH2-CE2 3.85Å; W223-Y250 HydrophobicContact CZ2-CE2 4.24Å; W239-Y250 AromaticContact CD2-CD2 3.84Å; W239-Y250 HydrophobicContact CD2-CD2 3.84Å; W239-Y250 AromaticContact CE2-CD2 4Å; W239-Y250 AromaticContact CE3-CD2 3.94Å; W239-Y250 HydrophobicContact CE3-CD2 3.94Å; W239-Y250 HydrophobicContact CG-CD2 4.38Å; W239-Y250 HydrophobicContact CH2-CD2 4.34Å; W239-Y250 HydrophobicContact CZ2-CD2 4.27Å; W239-Y250 HydrophobicContact CZ3-CD2 4.18Å; A242-Y250 VanDerWaalsContact C-CD1 3.43Å; A242-Y250 VanDerWaalsContact C-CE1 3.43Å; A242-Y250 HydrophobicContact CB-CD2 4.15Å; A242-Y250 HydrophobicContact CB-CE2 3.97Å; A242-Y250 WeakPolarHBondContact O-CE1 3.33Å; C243-Y250 VanDerWaalsContact N-CD1 3.28Å; S244-Y250 WeakPolarHBondContact OG-CD1 3.42Å; S244-Y250 WeakPolarHBondContact OG-CE1 3.48Å; D247-Y250 PolarHBondContact O-N 3.43Å; D247-Y250 PolarHBondContact OD1-N 3.22Å; Y250-S252 PolarHBondContact O-N 3.15Å; Y250-Y253 HydrophobicContact CD2-CD1 4.22Å; Y250-Y253 HydrophobicContact CE2-CD1 4.08Å; Y250-Y253 WeakPolarHBondContact O-CB 3.4Å; Y250-Y253 PolarHBondContact O-N 3.26Å; Y250-V254 HydrophobicContact CD1-CG2 4.11Å; Y250-V254 HydrophobicContact CE1-CG2 3.65Å; Y250-V254 HydrophobicContact CE2-CG2 4.25Å; Y250-V254 WeakPolarHBondContact O-CG2 3.36Å; Y250-V254 PolarHBondContact O-N 2.94Å
251R95.1Very high92.9Very high142 Ų14254.9 Ų54.954%0.53630%0.302SS..Hα-helixtrans-57.8-45.8173.4-167.6176.890.9133.41.9112.2D247 G248 T249 Y253 V254 H255D247-R251 WeakPolarHBondContact O-CB 3.49Å; D247-R251 PolarHBondContact O-N 2.96Å; G248-R251 PolarHBondContact O-N 2.98Å; T249-R251 VanDerWaalsContact C-N 3.33Å; R251-Y253 VanDerWaalsContact C-N 3.35Å; R251-Y253 PolarHBondContact O-N 2.71Å; R251-V254 PolarHBondContact O-N 3.08Å; R251-H255 PolarHBondContact O-CD2 3.02Å; R251-H255 PolarHBondContact O-N 2.81Å; R251-H255 VanDerWaalsContact O-N 3.16Å
252S94.1Very high92.9Very high58 Ų5855.2 Ų55.241%0.40632%0.317SS..Hα-helixtrans-62.4-40.6175.5-69.80000112.5G248 T249 Y250 H255 N256 T259G248-S252 PolarHBondContact O-N 3.17Å; G248-S252 PolarHBondContact O-OG 3.24Å; T249-S252 PolarHBondContact O-N 3.12Å; Y250-S252 PolarHBondContact O-N 3.15Å; S252-H255 PolarHBondContact O-N 3.3Å; S252-N256 PolarHBondContact O-N 3.17Å; S252-T259 PolarHBondContact O-OG1 3.09Å; S252-T259 VanDerWaalsContact O-OG1 3.05Å
253Y94.8Very high92.8Very high12 Ų1257.7 Ų57.75%0.04733%0.329CS..Hα-helixtrans-59.6-45.6174.3169.7-104.7000112.3W239 T249 Y250 R251 H255 N256 P257 L260 N275 F278W239-Y253 HydrophobicContact CH2-CD1 4.05Å; W239-Y253 HydrophobicContact CH2-CE1 4.29Å; W239-Y253 HydrophobicContact CH2-CG 4.28Å; W239-Y253 AromaticContact CZ3-CD1 3.93Å; W239-Y253 HydrophobicContact CZ3-CD1 3.93Å; W239-Y253 HydrophobicContact CZ3-CD2 4.35Å; W239-Y253 AromaticContact CZ3-CG 3.8Å; W239-Y253 HydrophobicContact CZ3-CG 3.8Å; T249-Y253 PolarHBondContact O-N 3Å; Y250-Y253 HydrophobicContact CD2-CD1 4.22Å; Y250-Y253 HydrophobicContact CE2-CD1 4.08Å; Y250-Y253 WeakPolarHBondContact O-CB 3.4Å; Y250-Y253 PolarHBondContact O-N 3.26Å; R251-Y253 VanDerWaalsContact C-N 3.35Å; R251-Y253 PolarHBondContact O-N 2.71Å; Y253-H255 VanDerWaalsContact C-N 3.3Å; Y253-H255 PolarHBondContact O-N 3.22Å; Y253-N256 CarbonylContact O-C 3.3Å; Y253-N256 PolarHBondContact O-N 3.35Å; Y253-P257 HydrophobicContact CE2-CB 4.18Å; Y253-L260 HydrophobicContact CD2-CD1 3.94Å; Y253-L260 HydrophobicContact CD2-CG 3.79Å; Y253-L260 HydrophobicContact CE2-CD1 3.75Å; Y253-L260 HydrophobicContact CE2-CG 4.11Å; Y253-N275 WeakPolarHBondContact CE2-OD1 3.21Å; Y253-N275 PolarHBondContact OH-OD1 3.31Å; Y253-F278 HydrophobicContact CE1-CB 4Å; Y253-F278 WeakPolarHBondContact OH-CB 3.39Å
254V94.1Very high92.9Very high41 Ų4156.3 Ų56.325%0.24832%0.32CS..Hα-helixtrans-57.7-42.9177166.60000111.8Y250 R251Y250-V254 HydrophobicContact CD1-CG2 4.11Å; Y250-V254 HydrophobicContact CE1-CG2 3.65Å; Y250-V254 HydrophobicContact CE2-CG2 4.25Å; Y250-V254 WeakPolarHBondContact O-CG2 3.36Å; Y250-V254 PolarHBondContact O-N 2.94Å; R251-V254 PolarHBondContact O-N 3.08Å
255H94.5Very high93.1Very high140 Ų14056.5 Ų56.565%0.64832%0.321SS*.Hα-helixtrans-74.8-34178.2-70.6-60.7000113.2R251 S252 Y253R251-H255 PolarHBondContact O-CD2 3.02Å; R251-H255 PolarHBondContact O-N 2.81Å; R251-H255 VanDerWaalsContact O-N 3.16Å; S252-H255 PolarHBondContact O-N 3.3Å; Y253-H255 VanDerWaalsContact C-N 3.3Å; Y253-H255 PolarHBondContact O-N 3.22Å
256N94.6Very high93.4Very high82 Ų8249.2 Ų49.244%0.43929%0.286SS..  trans-142.4102.4-179.1-178.5-1.8000110S252 Y253 S258 T259S252-N256 PolarHBondContact O-N 3.17Å; Y253-N256 CarbonylContact O-C 3.3Å; Y253-N256 PolarHBondContact O-N 3.35Å; N256-S258 PolarHBondContact O-N 3.15Å; N256-S258 VanDerWaalsContact OD1-CB 3.24Å; N256-S258 WeakPolarHBondContact OD1-CB 3.37Å; N256-S258 PolarHBondContact OD1-N 2.96Å; N256-T259 WeakPolarHBondContact O-CB 3.47Å; N256-T259 PolarHBondContact O-N 2.86Å; N256-T259 PolarHBondContact O-OG1 3.11Å
257P93.2Very high93.7Very high58 Ų5845.9 Ų45.938%0.37727%0.267SS..THydrogen-bonded Turntrans-61.1-15.6178.2-26.535.3000114.5Y253 T259 N271 N275Y253-P257 HydrophobicContact CE2-CB 4.18Å; P257-T259 PolarHBondContact O-N 2.9Å; P257-N271 PolarHBondContact O-ND2 2.86Å; P257-N275 WeakPolarHBondContact CB-OD1 3.4Å; P257-N275 PolarHBondContact O-OD1 3.19Å
258S93.6Very high93.9Very high63 Ų6355.1 Ų55.144%0.44130%0.3SS..THydrogen-bonded Turntrans-76.8-4.2172-54.50000113.3N256 L260 L261 S262N256-S258 PolarHBondContact O-N 3.15Å; N256-S258 VanDerWaalsContact OD1-CB 3.24Å; N256-S258 WeakPolarHBondContact OD1-CB 3.37Å; N256-S258 PolarHBondContact OD1-N 2.96Å; S258-L260 PolarHBondContact O-N 3.18Å; S258-L261 WeakPolarHBondContact O-CB 3.38Å; S258-L261 PolarHBondContact O-N 3.47Å; S258-L261 VanDerWaalsContact O-N 3.12Å; S258-S262 PolarHBondContact O-N 3.3Å
259T93.5Very high94Very high14 Ų1456.5 Ų56.59%0.08629%0.293CS..Hα-helixtrans-55.3-39.7176.5-62.90000111.3S252 N256 P257 L261 S262 I263S252-T259 PolarHBondContact O-OG1 3.09Å; S252-T259 VanDerWaalsContact O-OG1 3.05Å; N256-T259 WeakPolarHBondContact O-CB 3.47Å; N256-T259 PolarHBondContact O-N 2.86Å; N256-T259 PolarHBondContact O-OG1 3.11Å; P257-T259 PolarHBondContact O-N 2.9Å; T259-L261 VanDerWaalsContact C-N 3.31Å; T259-L261 PolarHBondContact O-N 3.28Å; T259-S262 PolarHBondContact O-N 3.28Å; T259-S262 PolarHBondContact O-OG 2.79Å; T259-I263 HydrophobicContact CG2-CD1 4.48Å; T259-I263 HydrophobicContact CG2-CG2 4.31Å; T259-I263 PolarHBondContact O-N 3.25Å; T259-I263 VanDerWaalsContact O-N 3.12Å
260L94.2Very high94.2Very high0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-59.3-40.3178.1-67.8178.6000112.5P238 W239 Y253 S258 S262 I263 L264 I266 N271 L274 F278P238-L260 HydrophobicContact CB-CD2 3.59Å; W239-L260 HydrophobicContact CH2-CD2 4.42Å; W239-L260 HydrophobicContact CZ3-CD2 3.79Å; Y253-L260 HydrophobicContact CD2-CD1 3.94Å; Y253-L260 HydrophobicContact CD2-CG 3.79Å; Y253-L260 HydrophobicContact CE2-CD1 3.75Å; Y253-L260 HydrophobicContact CE2-CG 4.11Å; S258-L260 PolarHBondContact O-N 3.18Å; L260-S262 VanDerWaalsContact C-N 3.26Å; L260-S262 PolarHBondContact O-N 2.99Å; L260-I263 HydrophobicContact CD2-CD1 4.21Å; L260-I263 PolarHBondContact O-N 2.82Å; L260-L264 HydrophobicContact CD2-CD1 4.18Å; L260-L264 WeakPolarHBondContact O-CB 3.42Å; L260-L264 PolarHBondContact O-N 3.05Å; L260-I266 HydrophobicContact CB-CD1 3.93Å; L260-N271 WeakPolarHBondContact CB-OD1 3.36Å; L260-L274 HydrophobicContact CD1-CB 4.12Å; L260-L274 HydrophobicContact CD1-CD1 4.21Å; L260-F278 HydrophobicContact CD1-CD2 4.08Å; L260-F278 HydrophobicContact CD1-CE2 4.19Å
261L93.4Very high94.3Very high36 Ų3654.3 Ų54.319%0.18828%0.279CS..Hα-helixtrans-64.5-28.1175.7-171.165.9000113.5S258 T259 I266 R268 N271S258-L261 WeakPolarHBondContact O-CB 3.38Å; S258-L261 PolarHBondContact O-N 3.47Å; S258-L261 VanDerWaalsContact O-N 3.12Å; T259-L261 VanDerWaalsContact C-N 3.31Å; T259-L261 PolarHBondContact O-N 3.28Å; L261-I266 HydrophobicContact CD1-CG1 4.24Å; L261-I266 VanDerWaalsContact CD1-O 3.26Å; L261-I266 WeakPolarHBondContact CD1-O 3.25Å; L261-R268 HydrophobicContact CD1-CG 4.46Å; L261-R268 HydrophobicContact CD2-CG 4.06Å; L261-N271 HydrophobicContact CB-CB 4.47Å; L261-N271 PolarHBondContact N-OD1 3.14Å; L261-N271 VanDerWaalsContact N-OD1 3.08Å
262S91.9Very high94.4Very high91 Ų9151 Ų5164%0.63628%0.278SS*.Hα-helixtrans-79-34.7177.872.50000112.7S258 T259 L260S258-S262 PolarHBondContact O-N 3.3Å; T259-S262 PolarHBondContact O-N 3.28Å; T259-S262 PolarHBondContact O-OG 2.79Å; L260-S262 VanDerWaalsContact C-N 3.26Å; L260-S262 PolarHBondContact O-N 2.99Å
263I92.8Very high94.5Very high56 Ų5648.5 Ų48.529%0.28726%0.26SS..Hα-helixtrans-98.1-23.9-174.674.6-174.8000113.4R236 T249 T259 L260R236-I263 PolarHBondContact NH1-O 2.7Å; R236-I263 PolarHBondContact NH2-O 2.79Å; T249-I263 HydrophobicContact CG2-CD1 3.38Å; T259-I263 HydrophobicContact CG2-CD1 4.48Å; T259-I263 HydrophobicContact CG2-CG2 4.31Å; T259-I263 PolarHBondContact O-N 3.25Å; T259-I263 VanDerWaalsContact O-N 3.12Å; L260-I263 HydrophobicContact CD2-CD1 4.21Å; L260-I263 PolarHBondContact O-N 2.82Å
264L93.6Very high94.7Very high3 Ų348 Ų482%0.01626%0.258CS..SBendtrans-115.3145.9-178.5-55.8176.6000112.1I230 C234 R236 P238 L260 I266I230-L264 HydrophobicContact CD1-CD1 4.02Å; I230-L264 HydrophobicContact CG1-CD1 4.22Å; I230-L264 HydrophobicContact CG2-CD1 3.65Å; I230-L264 HydrophobicContact CG2-CD2 4.49Å; C234-L264 HydrophobicContact CB-CD2 4.27Å; R236-L264 HydrophobicContact CG-CD2 4.07Å; P238-L264 HydrophobicContact CB-CD1 4.5Å; L260-L264 HydrophobicContact CD2-CD1 4.18Å; L260-L264 WeakPolarHBondContact O-CB 3.42Å; L260-L264 PolarHBondContact O-N 3.05Å; L264-I266 HydrophobicContact CB-CD1 4.48Å; L264-I266 HydrophobicContact CB-CG1 4.15Å; L264-I266 HydrophobicContact CB-CG2 3.89Å; L264-I266 HydrophobicContact CD1-CG2 4.37Å; L264-I266 PolarHBondContact O-N 3.18Å
265P93.1Very high94.9Very high31 Ų3148.3 Ų48.320%0.20126%0.259CS..  trans-76.24517434.9-38.9000112.9T302 R303 L305P265-T302 CarbonylContact O-C 3.04Å; P265-T302 WeakPolarHBondContact O-CA 3.24Å; P265-R303 PolarHBondContact O-N 3.38Å; P265-L305 HydrophobicContact CB-CD2 4.18Å
266I94.7Very high95Very high0 Ų045.8 Ų45.80%024%0.243CC..BIsolated β-bridgetrans-89.7156.6179.760.4173.8000111.7L260 L261 L264 L270 N271 L274L260-I266 HydrophobicContact CB-CD1 3.93Å; L261-I266 HydrophobicContact CD1-CG1 4.24Å; L261-I266 VanDerWaalsContact CD1-O 3.26Å; L261-I266 WeakPolarHBondContact CD1-O 3.25Å; L264-I266 HydrophobicContact CB-CD1 4.48Å; L264-I266 HydrophobicContact CB-CG1 4.15Å; L264-I266 HydrophobicContact CB-CG2 3.89Å; L264-I266 HydrophobicContact CD1-CG2 4.37Å; L264-I266 PolarHBondContact O-N 3.18Å; I266-L270 HydrophobicContact CB-CB 4.36Å; I266-L270 HydrophobicContact CB-CD2 3.89Å; I266-L270 HydrophobicContact CB-CG 4.24Å; I266-L270 HydrophobicContact CG2-CD2 3.61Å; I266-L270 HydrophobicContact CG2-CG 4.32Å; I266-N271 HydrophobicContact CD1-CB 3.94Å; I266-L274 HydrophobicContact CD1-CD1 3.69Å
267S95Very high95.2Very high13 Ų1341.9 Ų41.99%0.09122%0.222CC..  trans-74.2164.4172.475.80000111.5E269 L270 N271 N300 L301S267-E269 VanDerWaalsContact C-N 3.27Å; S267-E269 PolarHBondContact O-N 2.94Å; S267-E269 PolarHBondContact OG-N 3.08Å; S267-L270 PolarHBondContact O-N 2.9Å; S267-L270 WeakPolarHBondContact OG-CB 3.42Å; S267-L270 PolarHBondContact OG-N 3.39Å; S267-N271 PolarHBondContact O-N 2.92Å; S267-N300 WeakPolarHBondContact CB-O 3.41Å; S267-N300 PolarHBondContact OG-O 3.41Å; S267-L301 PolarHBondContact N-O 2.96Å
268R94.9Very high95.5Very high209 Ų20939.1 Ų39.179%0.78921%0.205SC*.Hα-helixtrans-64.3-34.7171.8-68.1-177.5-179.9179.5-0.6111.8L261 N271 S272L261-R268 HydrophobicContact CD1-CG 4.46Å; L261-R268 HydrophobicContact CD2-CG 4.06Å; R268-N271 PolarHBondContact O-N 3.39Å; R268-S272 PolarHBondContact O-N 3.17Å
269E95Very high95.6Very high81 Ų8138.5 Ų38.538%0.37920%0.196SC..Hα-helixtrans-61.1-50.4175-66.7175.8-168.400110.6S267 N271 S272 L273 K299S267-E269 VanDerWaalsContact C-N 3.27Å; S267-E269 PolarHBondContact O-N 2.94Å; S267-E269 PolarHBondContact OG-N 3.08Å; E269-N271 PolarHBondContact O-N 3.16Å; E269-S272 WeakPolarHBondContact O-CB 3.27Å; E269-S272 PolarHBondContact O-N 3.08Å; E269-L273 PolarHBondContact O-N 3.16Å; E269-K299 PolarHBondContact OE2-N 3.33Å
270L96.5Very high95.6Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-64.4-39.1177.6178.956.2000111.6L229 C233 I266 S267 S272 L273 L274 L301L229-L270 HydrophobicContact CD2-CD1 3.51Å; L229-L270 HydrophobicContact CG-CD1 4.03Å; C233-L270 HydrophobicContact CB-CD2 4.47Å; I266-L270 HydrophobicContact CB-CB 4.36Å; I266-L270 HydrophobicContact CB-CD2 3.89Å; I266-L270 HydrophobicContact CB-CG 4.24Å; I266-L270 HydrophobicContact CG2-CD2 3.61Å; I266-L270 HydrophobicContact CG2-CG 4.32Å; S267-L270 PolarHBondContact O-N 2.9Å; S267-L270 WeakPolarHBondContact OG-CB 3.42Å; S267-L270 PolarHBondContact OG-N 3.39Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 2.97Å; L270-L273 HydrophobicContact CD1-CD2 4.34Å; L270-L273 PolarHBondContact O-N 3.32Å; L270-L274 HydrophobicContact CD1-CD1 4.13Å; L270-L274 HydrophobicContact CD1-CD2 4.3Å; L270-L274 HydrophobicContact CD1-CG 3.86Å; L270-L274 HydrophobicContact CD2-CD1 4.49Å; L270-L274 HydrophobicContact CG-CD1 3.85Å; L270-L274 HydrophobicContact CG-CG 4.11Å; L270-L274 WeakPolarHBondContact O-CB 3.46Å; L270-L274 VanDerWaalsContact O-CG 3.25Å; L270-L274 WeakPolarHBondContact O-CG 3.2Å; L270-L274 PolarHBondContact O-N 3.11Å; L270-L301 HydrophobicContact CD1-CD2 4.27Å; L270-L301 HydrophobicContact CD2-CB 4.23Å; L270-L301 HydrophobicContact CD2-CD2 4.48Å; L270-L301 WeakPolarHBondContact CD2-O 3.15Å
271N97Very high95.7Very high10 Ų1045.8 Ų45.85%0.05323%0.227CC..Hα-helixtrans-60.1-41.4174.8-167.995.1000112.1P257 L260 L261 I266 S267 R268 E269 L274 N275P257-N271 PolarHBondContact O-ND2 2.86Å; L260-N271 WeakPolarHBondContact CB-OD1 3.36Å; L261-N271 HydrophobicContact CB-CB 4.47Å; L261-N271 PolarHBondContact N-OD1 3.14Å; L261-N271 VanDerWaalsContact N-OD1 3.08Å; I266-N271 HydrophobicContact CD1-CB 3.94Å; S267-N271 PolarHBondContact O-N 2.92Å; R268-N271 PolarHBondContact O-N 3.39Å; E269-N271 PolarHBondContact O-N 3.16Å; N271-L274 PolarHBondContact O-N 3.49Å; N271-N275 PolarHBondContact ND2-ND2 3.36Å; N271-N275 VanDerWaalsContact O-CG 3.22Å; N271-N275 PolarHBondContact O-N 3.39Å; N271-N275 PolarHBondContact O-ND2 2.9Å
272S96.9Very high95.8Very high73 Ų7345.7 Ų45.751%0.5123%0.228SC..Hα-helixtrans-61.7-45.5175.5-169.40000111.2R268 E269 L270 N275 R276R268-S272 PolarHBondContact O-N 3.17Å; E269-S272 WeakPolarHBondContact O-CB 3.27Å; E269-S272 PolarHBondContact O-N 3.08Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 2.97Å; S272-N275 WeakPolarHBondContact O-CB 3.18Å; S272-N275 PolarHBondContact O-N 2.93Å; S272-R276 PolarHBondContact O-N 2.92Å
273L98Very high96Very high6 Ų648.5 Ų48.53%0.03123%0.229CC..Hα-helixtrans-61.3-47175.9178.559.1000112.3L229 E269 L270 N275 R276 I277 I286 L291 L294 V295L229-L273 HydrophobicContact CD2-CD2 4.2Å; E269-L273 PolarHBondContact O-N 3.16Å; L270-L273 HydrophobicContact CD1-CD2 4.34Å; L270-L273 PolarHBondContact O-N 3.32Å; L273-N275 PolarHBondContact O-N 3.43Å; L273-R276 WeakPolarHBondContact O-CA 3.33Å; L273-R276 WeakPolarHBondContact O-CB 3.34Å; L273-R276 PolarHBondContact O-N 3.29Å; L273-I277 HydrophobicContact CD1-CD1 4.36Å; L273-I277 HydrophobicContact CG-CD1 3.97Å; L273-I277 PolarHBondContact O-N 3.26Å; L273-I277 VanDerWaalsContact O-N 3.07Å; L273-I286 HydrophobicContact CD1-CD1 3.99Å; L273-L291 HydrophobicContact CD1-CD1 3.84Å; L273-L291 HydrophobicContact CD2-CD1 4.27Å; L273-L291 HydrophobicContact CG-CD1 4.32Å; L273-L294 HydrophobicContact CD1-CB 3.77Å; L273-L294 HydrophobicContact CD1-CD1 3.72Å; L273-L294 HydrophobicContact CD1-CG 4.43Å; L273-V295 HydrophobicContact CD2-CG2 3.73Å
274L98.2Very high96.2Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-60.8-33178.7-70.3169.9000112I230 L260 I266 L270 N271 R276 I277 F278I230-L274 HydrophobicContact CD1-CD1 3.99Å; I230-L274 HydrophobicContact CD1-CD2 4.01Å; I230-L274 HydrophobicContact CG1-CD1 3.87Å; I230-L274 HydrophobicContact CG1-CD2 3.83Å; L260-L274 HydrophobicContact CD1-CB 4.12Å; L260-L274 HydrophobicContact CD1-CD1 4.21Å; I266-L274 HydrophobicContact CD1-CD1 3.69Å; L270-L274 HydrophobicContact CD1-CD1 4.13Å; L270-L274 HydrophobicContact CD1-CD2 4.3Å; L270-L274 HydrophobicContact CD1-CG 3.86Å; L270-L274 HydrophobicContact CD2-CD1 4.49Å; L270-L274 HydrophobicContact CG-CD1 3.85Å; L270-L274 HydrophobicContact CG-CG 4.11Å; L270-L274 WeakPolarHBondContact O-CB 3.46Å; L270-L274 VanDerWaalsContact O-CG 3.25Å; L270-L274 WeakPolarHBondContact O-CG 3.2Å; L270-L274 PolarHBondContact O-N 3.11Å; N271-L274 PolarHBondContact O-N 3.49Å; L274-R276 PolarHBondContact O-N 2.94Å; L274-I277 HydrophobicContact CD2-CD1 4.28Å; L274-I277 PolarHBondContact O-N 3.27Å; L274-F278 HydrophobicContact CB-CD2 4.18Å; L274-F278 HydrophobicContact CB-CE2 4.2Å; L274-F278 HydrophobicContact CD2-CE2 3.79Å; L274-F278 HydrophobicContact CD2-CZ 4.23Å; L274-F278 HydrophobicContact CG-CE2 4.47Å; L274-F278 WeakPolarHBondContact O-CB 3.23Å; L274-F278 WeakPolarHBondContact O-CD2 3.47Å; L274-F278 PolarHBondContact O-N 3.33Å
275N97.7Very high96.4Very high48 Ų4850.3 Ų50.326%0.25724%0.242SC..Hα-helixtrans-65.4-26.6174.1-70.5-18.3000113.4Y253 P257 N271 S272 L273 D279Y253-N275 WeakPolarHBondContact CE2-OD1 3.21Å; Y253-N275 PolarHBondContact OH-OD1 3.31Å; P257-N275 WeakPolarHBondContact CB-OD1 3.4Å; P257-N275 PolarHBondContact O-OD1 3.19Å; N271-N275 PolarHBondContact ND2-ND2 3.36Å; N271-N275 VanDerWaalsContact O-CG 3.22Å; N271-N275 PolarHBondContact O-N 3.39Å; N271-N275 PolarHBondContact O-ND2 2.9Å; S272-N275 WeakPolarHBondContact O-CB 3.18Å; S272-N275 PolarHBondContact O-N 2.93Å; L273-N275 PolarHBondContact O-N 3.43Å; N275-D279 PolarHBondContact O-N 3.12Å
276R98.1Very high96.7Very high87 Ų8749 Ų4933%0.32823%0.233SC..Hα-helixtrans-82.9-31.9174.7-56.1-169.463.2-168-7.8112.5S272 L273 L274 I286 E290 L294S272-R276 PolarHBondContact O-N 2.92Å; L273-R276 WeakPolarHBondContact O-CA 3.33Å; L273-R276 WeakPolarHBondContact O-CB 3.34Å; L273-R276 PolarHBondContact O-N 3.29Å; L274-R276 PolarHBondContact O-N 2.94Å; R276-I286 HydrophobicContact CB-CB 4.09Å; R276-I286 HydrophobicContact CB-CD1 4.22Å; R276-I286 HydrophobicContact CB-CG2 4.5Å; R276-I286 PolarHBondContact O-N 3.01Å; R276-I286 VanDerWaalsContact O-N 3.16Å; R276-E290 IonicContact CZ-OE1 3.09Å; R276-E290 IonicContact CZ-OE2 3.69Å; R276-E290 IonicContact NH1-OE1 2.67Å; R276-E290 PolarHBondContact NH1-OE1 2.87Å; R276-E290 IonicContact NH1-OE2 3.94Å; R276-E290 IonicContact NH2-OE1 2.68Å; R276-E290 PolarHBondContact NH2-OE1 3.31Å; R276-E290 IonicContact NH2-OE2 2.79Å; R276-E290 PolarHBondContact NH2-OE2 3.47Å; R276-L294 VanDerWaalsContact NH1-CD1 3.3Å
277I98.5Very high96.9Very high0 Ų052.8 Ų52.80%026%0.256CS..Hα-helixtrans-72.2-44175-62.7166.8000110.9V222 L229 L273 L274 D279 R285 I286 L291V222-I277 HydrophobicContact CG1-CG2 4.19Å; V222-I277 VanDerWaalsContact O-CG2 3.24Å; V222-I277 WeakPolarHBondContact O-CG2 3.47Å; L229-I277 HydrophobicContact CD2-CD1 4.43Å; L273-I277 HydrophobicContact CD1-CD1 4.36Å; L273-I277 HydrophobicContact CG-CD1 3.97Å; L273-I277 PolarHBondContact O-N 3.26Å; L273-I277 VanDerWaalsContact O-N 3.07Å; L274-I277 HydrophobicContact CD2-CD1 4.28Å; L274-I277 PolarHBondContact O-N 3.27Å; I277-D279 VanDerWaalsContact C-N 3.26Å; I277-D279 PolarHBondContact O-N 2.87Å; I277-R285 WeakPolarHBondContact O-CD 3.47Å; I277-R285 WeakPolarHBondContact O-CG 3.47Å; I277-R285 PolarHBondContact O-NE 3.31Å; I277-I286 HydrophobicContact CB-CG2 4.34Å; I277-I286 HydrophobicContact CG1-CG2 3.79Å; I277-L291 HydrophobicContact CD1-CD1 3.61Å; I277-L291 HydrophobicContact CG1-CD1 3.89Å
278F98.2Very high97Very high1 Ų152.7 Ų52.70%0.00425%0.254CS..THydrogen-bonded Turntrans-92.924.9-179.7-57.7-44.1000113.2W223 I227 I230 W239 Y253 L260 L274 R280W223-F278 AromaticContact CD2-CD1 3.65Å; W223-F278 HydrophobicContact CD2-CD1 3.65Å; W223-F278 HydrophobicContact CD2-CE1 4.17Å; W223-F278 AromaticContact CE2-CD1 3.74Å; W223-F278 HydrophobicContact CE3-CB 4.29Å; W223-F278 AromaticContact CE3-CD1 3.71Å; W223-F278 HydrophobicContact CE3-CD1 3.71Å; W223-F278 HydrophobicContact CE3-CG 4.46Å; W223-F278 HydrophobicContact CG-CD1 4.26Å; W223-F278 HydrophobicContact CG-CE1 4.41Å; W223-F278 HydrophobicContact CH2-CB 3.89Å; W223-F278 AromaticContact CH2-CD1 3.89Å; W223-F278 HydrophobicContact CH2-CD1 3.89Å; W223-F278 HydrophobicContact CH2-CG 4.16Å; W223-F278 AromaticContact CZ2-CD1 3.86Å; W223-F278 HydrophobicContact CZ2-CD1 3.86Å; W223-F278 HydrophobicContact CZ2-CE1 4.4Å; W223-F278 HydrophobicContact CZ2-CG 4.45Å; W223-F278 VanDerWaalsContact CZ3-CA 3.5Å; W223-F278 HydrophobicContact CZ3-CB 3.71Å; W223-F278 AromaticContact CZ3-CD1 3.84Å; W223-F278 HydrophobicContact CZ3-CD1 3.84Å; W223-F278 HydrophobicContact CZ3-CG 4.2Å; I227-F278 HydrophobicContact CD1-CE1 3.72Å; I227-F278 HydrophobicContact CD1-CZ 3.58Å; I227-F278 HydrophobicContact CG1-CE1 3.99Å; I227-F278 HydrophobicContact CG1-CZ 4.14Å; I230-F278 HydrophobicContact CD1-CE2 3.68Å; I230-F278 HydrophobicContact CD1-CZ 3.92Å; W239-F278 AromaticContact CH2-CD2 3.68Å; W239-F278 HydrophobicContact CH2-CD2 3.68Å; W239-F278 AromaticContact CH2-CE2 3.85Å; W239-F278 HydrophobicContact CH2-CE2 3.85Å; W239-F278 HydrophobicContact CH2-CG 4.06Å; W239-F278 HydrophobicContact CH2-CZ 4.39Å; W239-F278 HydrophobicContact CZ2-CD1 4.2Å; W239-F278 HydrophobicContact CZ2-CD2 4.08Å; W239-F278 HydrophobicContact CZ2-CE1 4.19Å; W239-F278 HydrophobicContact CZ2-CE2 4.05Å; W239-F278 HydrophobicContact CZ2-CG 4.14Å; W239-F278 HydrophobicContact CZ2-CZ 4.12Å; Y253-F278 HydrophobicContact CE1-CB 4Å; Y253-F278 WeakPolarHBondContact OH-CB 3.39Å; L260-F278 HydrophobicContact CD1-CD2 4.08Å; L260-F278 HydrophobicContact CD1-CE2 4.19Å; L274-F278 HydrophobicContact CB-CD2 4.18Å; L274-F278 HydrophobicContact CB-CE2 4.2Å; L274-F278 HydrophobicContact CD2-CE2 3.79Å; L274-F278 HydrophobicContact CD2-CZ 4.23Å; L274-F278 HydrophobicContact CG-CE2 4.47Å; L274-F278 WeakPolarHBondContact O-CB 3.23Å; L274-F278 WeakPolarHBondContact O-CD2 3.47Å; L274-F278 PolarHBondContact O-N 3.33Å; F278-R280 PolarHBondContact O-N 3.34Å
279D97Very high97.2Very high49 Ų4946.1 Ų46.126%0.26224%0.239SC..  trans-55.6124.9167.1-172.6-8.4000108.8N275 I277 N281 T284 R285N275-D279 PolarHBondContact O-N 3.12Å; I277-D279 VanDerWaalsContact C-N 3.26Å; I277-D279 PolarHBondContact O-N 2.87Å; D279-N281 PolarHBondContact O-N 3.29Å; D279-N281 PolarHBondContact OD1-N 3.12Å; D279-T284 WeakPolarHBondContact OD2-CB 3.28Å; D279-T284 PolarHBondContact OD2-OG1 2.92Å; D279-R285 HydrophobicContact CB-CB 4.17Å; D279-R285 HydrophobicContact CB-CG 4.4Å; D279-R285 PolarHBondContact O-NE 2.89Å; D279-R285 PolarHBondContact O-NH2 3.16Å
280R93.9Very high97.4Very high105 Ų10545.7 Ų45.740%0.39624%0.237SC..SBendtrans-67.6-24.5-178.8-70.9-176.556.6165.9-6.7112.1E206 F278 P282E206-R280 IonicContact OE2-CZ 3.53Å; E206-R280 IonicContact OE2-NH1 3.43Å; E206-R280 PolarHBondContact OE2-NH1 3.25Å; E206-R280 IonicContact OE2-NH2 2.83Å; E206-R280 PolarHBondContact OE2-NH2 3.35Å; F278-R280 PolarHBondContact O-N 3.34Å; R280-P282 VanDerWaalsContact O-CD 3.3Å; R280-P282 WeakPolarHBondContact O-CD 3.48Å
281N94.5Very high97.5Very high62 Ų6245.7 Ų45.733%0.33224%0.237SC..  trans-89.2108.8174.1178.48.5000109.6D279 K283 T284 R285D279-N281 PolarHBondContact O-N 3.29Å; D279-N281 PolarHBondContact OD1-N 3.12Å; N281-K283 PolarHBondContact O-N 2.89Å; N281-K283 VanDerWaalsContact O-N 3.1Å; N281-K283 WeakPolarHBondContact OD1-CB 3.46Å; N281-K283 PolarHBondContact OD1-N 3.01Å; N281-T284 WeakPolarHBondContact CB-OG1 3.3Å; N281-T284 PolarHBondContact ND2-OG1 2.95Å; N281-T284 PolarHBondContact O-N 2.66Å; N281-T284 VanDerWaalsContact O-N 3.1Å; N281-T284 PolarHBondContact O-OG1 3.02Å; N281-R285 PolarHBondContact O-N 2.88Å
282P95.8Very high97.5Very high34 Ų3446.9 Ų46.922%0.22125%0.246CC..THydrogen-bonded Turntrans-62.2-20.2-179.726.2-35000113.2E186 P219 R280E186-P282 HydrophobicContact CG-CG 4.44Å; P219-P282 HydrophobicContact CB-CB 3.77Å; P219-P282 HydrophobicContact CG-CB 4.14Å; P219-P282 WeakPolarHBondContact CG-O 3.41Å; R280-P282 VanDerWaalsContact O-CD 3.3Å; R280-P282 WeakPolarHBondContact O-CD 3.48Å
283K95.8Very high97.6Very high150 Ų15047.1 Ų47.165%0.65224%0.244SC*.THydrogen-bonded Turntrans-73.6-28.8177.1-60.5172.7-177.8163.80112.8E209 N281E209-K283 IonicContact OE1-NZ 2.93Å; E209-K283 PolarHBondContact OE1-NZ 3.42Å; E209-K283 IonicContact OE2-NZ 2.7Å; E209-K283 PolarHBondContact OE2-NZ 3.07Å; N281-K283 PolarHBondContact O-N 2.89Å; N281-K283 VanDerWaalsContact O-N 3.1Å; N281-K283 WeakPolarHBondContact OD1-CB 3.46Å; N281-K283 PolarHBondContact OD1-N 3.01Å
284T97.5Very high97.6Very high85 Ų8549.3 Ų49.352%0.52126%0.256SS..THydrogen-bonded Turntrans-108.3-6.4-178.851.80000113.5D279 N281D279-T284 WeakPolarHBondContact OD2-CB 3.28Å; D279-T284 PolarHBondContact OD2-OG1 2.92Å; N281-T284 WeakPolarHBondContact CB-OG1 3.3Å; N281-T284 PolarHBondContact ND2-OG1 2.95Å; N281-T284 PolarHBondContact O-N 2.66Å; N281-T284 VanDerWaalsContact O-N 3.1Å; N281-T284 PolarHBondContact O-OG1 3.02Å
285R98.3Very high97.6Very high12 Ų1249.3 Ų49.35%0.04526%0.256CS..SBendtrans-54.6140.8171.9-168.4176.3-64.2153.46.9110.8E186 P219 V222 I277 D279 N281E186-R285 IonicContact OE1-CZ 3.47Å; E186-R285 IonicContact OE1-NH1 3.55Å; E186-R285 PolarHBondContact OE1-NH1 2.92Å; E186-R285 IonicContact OE1-NH2 3.19Å; E186-R285 PolarHBondContact OE1-NH2 2.66Å; E186-R285 IonicContact OE2-CZ 2.7Å; E186-R285 IonicContact OE2-NH1 3.67Å; E186-R285 IonicContact OE2-NH2 3.18Å; E186-R285 PolarHBondContact OE2-NH2 3.18Å; P219-R285 VanDerWaalsContact C-NH1 3.3Å; P219-R285 WeakPolarHBondContact O-CD 3.27Å; P219-R285 PolarHBondContact O-NH1 3.48Å; V222-R285 HydrophobicContact CG1-CG 4.27Å; I277-R285 WeakPolarHBondContact O-CD 3.47Å; I277-R285 WeakPolarHBondContact O-CG 3.47Å; I277-R285 PolarHBondContact O-NE 3.31Å; D279-R285 HydrophobicContact CB-CB 4.17Å; D279-R285 HydrophobicContact CB-CG 4.4Å; D279-R285 PolarHBondContact O-NE 2.89Å; D279-R285 PolarHBondContact O-NH2 3.16Å; N281-R285 PolarHBondContact O-N 2.88Å
286I98.6Very high97.6Very high5 Ų549.7 Ų49.73%0.02626%0.262CS..PPolyproline II helixtrans-52.1143.3-177.8-165.3171.5000112.4V222 L273 R276 I277 E290 L291 L294V222-I286 HydrophobicContact CG1-CG2 3.83Å; L273-I286 HydrophobicContact CD1-CD1 3.99Å; R276-I286 HydrophobicContact CB-CB 4.09Å; R276-I286 HydrophobicContact CB-CD1 4.22Å; R276-I286 HydrophobicContact CB-CG2 4.5Å; R276-I286 PolarHBondContact O-N 3.01Å; R276-I286 VanDerWaalsContact O-N 3.16Å; I277-I286 HydrophobicContact CB-CG2 4.34Å; I277-I286 HydrophobicContact CG1-CG2 3.79Å; I286-E290 HydrophobicContact CD1-CB 4.31Å; I286-E290 HydrophobicContact CD1-CG 4.03Å; I286-E290 HydrophobicContact CG1-CB 3.87Å; I286-E290 HydrophobicContact CG1-CG 3.93Å; I286-L291 HydrophobicContact CD1-CB 4.11Å; I286-L291 HydrophobicContact CD1-CD1 4.5Å; I286-L291 HydrophobicContact CG1-CB 4.35Å; I286-L291 HydrophobicContact CG2-CB 4.48Å; I286-L294 HydrophobicContact CD1-CD1 3.48Å; I286-L294 VanDerWaalsContact CD1-CD1 3.48Å
287T98.5Very high97.5Very high79 Ų7951 Ų5149%0.48528%0.276SS..PPolyproline II helixtrans-86.2161.3176.165.60000111.4E290 L291T287-E290 PolarHBondContact O-N 3.31Å; T287-E290 WeakPolarHBondContact OG1-CB 3.44Å; T287-L291 VanDerWaalsContact O-CB 3.27Å; T287-L291 WeakPolarHBondContact O-CB 3.11Å; T287-L291 PolarHBondContact O-N 2.96Å
288L98.7Very high97.3Very high10 Ų1051.5 Ų51.55%0.05228%0.279CS..Hα-helixtrans-60.3-45.2177.3-66.8171.9000114I128 V131 E132 H135 V222 L225 E290 L291 S292I128-L288 HydrophobicContact CG2-CB 4.28Å; I128-L288 HydrophobicContact CG2-CD2 4.28Å; V131-L288 HydrophobicContact CB-CD1 4.37Å; V131-L288 HydrophobicContact CG1-CD1 3.87Å; V131-L288 HydrophobicContact CG1-CD2 4.41Å; E132-L288 HydrophobicContact CB-CB 4.31Å; E132-L288 HydrophobicContact CB-CD1 3.98Å; H135-L288 WeakPolarHBondContact ND1-CD1 3.21Å; V222-L288 HydrophobicContact CG2-CD2 3.9Å; V222-L288 HydrophobicContact CG2-CG 4.13Å; L225-L288 HydrophobicContact CD1-CD2 3.49Å; L225-L288 VanDerWaalsContact CD1-CD2 3.49Å; L288-E290 VanDerWaalsContact C-N 3.28Å; L288-E290 PolarHBondContact O-N 3.48Å; L288-L291 HydrophobicContact CD2-CD2 4.48Å; L288-L291 PolarHBondContact O-N 3.3Å; L288-S292 WeakPolarHBondContact O-CB 3.49Å; L288-S292 PolarHBondContact O-N 3.07Å
289P98.5Very high96.9Very high71 Ų7159.1 Ų59.146%0.46131%0.312SS..Hα-helixtrans-57.9-41.6175.7-21.225.9000112.8E132 T293E132-P289 WeakPolarHBondContact OE1-CD 3.4Å; E132-P289 VanDerWaalsContact OE1-CG 3.28Å; E132-P289 WeakPolarHBondContact OE1-CG 3.44Å; P289-T293 PolarHBondContact O-N 3.5Å; P289-T293 VanDerWaalsContact O-N 3.12Å; P289-T293 PolarHBondContact O-OG1 3.28Å
290E98.4Very high96.6Very high73 Ų7361.1 Ų61.134%0.34132%0.323SS..Hα-helixtrans-71.5-41.5-180-170.3174.9-16400111.7R276 I286 T287 L288 S292 T293 L294R276-E290 IonicContact CZ-OE1 3.09Å; R276-E290 IonicContact CZ-OE2 3.69Å; R276-E290 IonicContact NH1-OE1 2.67Å; R276-E290 PolarHBondContact NH1-OE1 2.87Å; R276-E290 IonicContact NH1-OE2 3.94Å; R276-E290 IonicContact NH2-OE1 2.68Å; R276-E290 PolarHBondContact NH2-OE1 3.31Å; R276-E290 IonicContact NH2-OE2 2.79Å; R276-E290 PolarHBondContact NH2-OE2 3.47Å; I286-E290 HydrophobicContact CD1-CB 4.31Å; I286-E290 HydrophobicContact CD1-CG 4.03Å; I286-E290 HydrophobicContact CG1-CB 3.87Å; I286-E290 HydrophobicContact CG1-CG 3.93Å; T287-E290 PolarHBondContact O-N 3.31Å; T287-E290 WeakPolarHBondContact OG1-CB 3.44Å; L288-E290 VanDerWaalsContact C-N 3.28Å; L288-E290 PolarHBondContact O-N 3.48Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 3.39Å; E290-T293 WeakPolarHBondContact O-CB 3.49Å; E290-T293 PolarHBondContact O-N 3.19Å; E290-L294 HydrophobicContact CG-CD1 4.33Å; E290-L294 HydrophobicContact CG-CG 4.5Å; E290-L294 WeakPolarHBondContact O-CG 3.43Å; E290-L294 PolarHBondContact O-N 3.1Å
291L98.7Very high96.6Very high0 Ų056.1 Ų56.10%030%0.304CS..Hα-helixtrans-57.5-46.5173.8176.557.5000111F124 I128 L225 L273 I277 I286 T287 L288 T293 L294 V295F124-L291 HydrophobicContact CE1-CD1 4.32Å; F124-L291 HydrophobicContact CE1-CD2 4.39Å; F124-L291 HydrophobicContact CE1-CG 4.44Å; F124-L291 HydrophobicContact CZ-CD2 4.45Å; I128-L291 HydrophobicContact CD1-CD2 4.12Å; I128-L291 HydrophobicContact CD1-CG 3.79Å; I128-L291 HydrophobicContact CG1-CD2 4.18Å; I128-L291 HydrophobicContact CG1-CG 4.36Å; L225-L291 HydrophobicContact CD1-CD2 4.29Å; L273-L291 HydrophobicContact CD1-CD1 3.84Å; L273-L291 HydrophobicContact CD2-CD1 4.27Å; L273-L291 HydrophobicContact CG-CD1 4.32Å; I277-L291 HydrophobicContact CD1-CD1 3.61Å; I277-L291 HydrophobicContact CG1-CD1 3.89Å; I286-L291 HydrophobicContact CD1-CB 4.11Å; I286-L291 HydrophobicContact CD1-CD1 4.5Å; I286-L291 HydrophobicContact CG1-CB 4.35Å; I286-L291 HydrophobicContact CG2-CB 4.48Å; T287-L291 VanDerWaalsContact O-CB 3.27Å; T287-L291 WeakPolarHBondContact O-CB 3.11Å; T287-L291 PolarHBondContact O-N 2.96Å; L288-L291 HydrophobicContact CD2-CD2 4.48Å; L288-L291 PolarHBondContact O-N 3.3Å; L291-T293 VanDerWaalsContact C-N 3.33Å; L291-T293 PolarHBondContact O-N 2.97Å; L291-L294 PolarHBondContact O-N 3.34Å; L291-V295 HydrophobicContact CD1-CG2 3.84Å; L291-V295 HydrophobicContact CG-CG2 4.38Å; L291-V295 WeakPolarHBondContact O-CB 3.43Å; L291-V295 WeakPolarHBondContact O-CG2 3.39Å; L291-V295 PolarHBondContact O-N 3.1Å
292S98.5Very high96.5Very high34 Ų3454.6 Ų54.624%0.23830%0.297CS..Hα-helixtrans-55.9-46.9175.6-175.40000111.9L125 L288 E290 S296L125-S292 WeakPolarHBondContact CD2-O 3.17Å; L288-S292 WeakPolarHBondContact O-CB 3.49Å; L288-S292 PolarHBondContact O-N 3.07Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 3.39Å; S292-S296 WeakPolarHBondContact O-CB 3.47Å; S292-S296 PolarHBondContact O-N 3.16Å; S292-S296 PolarHBondContact O-OG 2.85Å
293T98.4Very high96.1Very high78 Ų7859 Ų5948%0.47931%0.309SS..Hα-helixtrans-62.1-47.3179.2-58.60000111.7P289 E290 L291 S296 N297P289-T293 PolarHBondContact O-N 3.5Å; P289-T293 VanDerWaalsContact O-N 3.12Å; P289-T293 PolarHBondContact O-OG1 3.28Å; E290-T293 WeakPolarHBondContact O-CB 3.49Å; E290-T293 PolarHBondContact O-N 3.19Å; L291-T293 VanDerWaalsContact C-N 3.33Å; L291-T293 PolarHBondContact O-N 2.97Å; T293-S296 PolarHBondContact O-N 3.34Å; T293-N297 PolarHBondContact O-N 3.04Å; T293-N297 PolarHBondContact O-ND2 3.45Å; T293-N297 VanDerWaalsContact O-ND2 3.13Å
294L98.2Very high95Very high52 Ų5263 Ų6327%0.27232%0.321SS..Hα-helixtrans-69.9-38.8-178.1-66.1178.8000112.9L273 R276 I286 E290 L291 S296 N297 C298L273-L294 HydrophobicContact CD1-CB 3.77Å; L273-L294 HydrophobicContact CD1-CD1 3.72Å; L273-L294 HydrophobicContact CD1-CG 4.43Å; R276-L294 VanDerWaalsContact NH1-CD1 3.3Å; I286-L294 HydrophobicContact CD1-CD1 3.48Å; I286-L294 VanDerWaalsContact CD1-CD1 3.48Å; E290-L294 HydrophobicContact CG-CD1 4.33Å; E290-L294 HydrophobicContact CG-CG 4.5Å; E290-L294 WeakPolarHBondContact O-CG 3.43Å; E290-L294 PolarHBondContact O-N 3.1Å; L291-L294 PolarHBondContact O-N 3.34Å; L294-S296 VanDerWaalsContact C-N 3.34Å; L294-N297 PolarHBondContact O-N 3.37Å; L294-C298 PolarHBondContact O-N 3.27Å; L294-C298 PolarHBondContact O-SG 3.12Å
295V97.8Very high93.3Very high0 Ų065.2 Ų65.20%033%0.328CS..Hα-helixtrans-61.3-46.2175.2168.90000110.1K121 F124 L125 I128 L273 L291 N297 C298K121-V295 HydrophobicContact CB-CG1 4.39Å; K121-V295 WeakPolarHBondContact CD-O 3.19Å; K121-V295 HydrophobicContact CG-CG1 4.06Å; F124-V295 HydrophobicContact CD1-CB 4.46Å; F124-V295 HydrophobicContact CD1-CG1 3.98Å; F124-V295 HydrophobicContact CD1-CG2 3.73Å; F124-V295 HydrophobicContact CE1-CG2 3.72Å; L125-V295 HydrophobicContact CD2-CB 4.13Å; L125-V295 HydrophobicContact CD2-CG1 3.97Å; L125-V295 HydrophobicContact CG-CG1 4.02Å; I128-V295 HydrophobicContact CD1-CG2 4.25Å; L273-V295 HydrophobicContact CD2-CG2 3.73Å; L291-V295 HydrophobicContact CD1-CG2 3.84Å; L291-V295 HydrophobicContact CG-CG2 4.38Å; L291-V295 WeakPolarHBondContact O-CB 3.43Å; L291-V295 WeakPolarHBondContact O-CG2 3.39Å; L291-V295 PolarHBondContact O-N 3.1Å; V295-N297 PolarHBondContact O-N 3.02Å; V295-C298 WeakPolarHBondContact O-CB 3.49Å; V295-C298 PolarHBondContact O-N 2.95Å; V295-C298 VanDerWaalsContact O-N 3.13Å
296S96.9Very high91.2Very high56 Ų5675.3 Ų75.339%0.39237%0.366SS..Hα-helixtrans-56.9-41178.7-62.30000111.7L125 S292 T293 L294L125-S296 WeakPolarHBondContact CD1-OG 3.43Å; L125-S296 WeakPolarHBondContact CD2-OG 3.49Å; S292-S296 WeakPolarHBondContact O-CB 3.47Å; S292-S296 PolarHBondContact O-N 3.16Å; S292-S296 PolarHBondContact O-OG 2.85Å; T293-S296 PolarHBondContact O-N 3.34Å; L294-S296 VanDerWaalsContact C-N 3.34Å
297N96.3Very high88.9Confident116 Ų11680.7 Ų80.762%0.6240%0.401SS*.Hα-helixtrans-80.5-12.1-179.4-70.6-31.5000114.9T293 L294 V295 K299T293-N297 PolarHBondContact O-N 3.04Å; T293-N297 PolarHBondContact O-ND2 3.45Å; T293-N297 VanDerWaalsContact O-ND2 3.13Å; L294-N297 PolarHBondContact O-N 3.37Å; V295-N297 PolarHBondContact O-N 3.02Å; N297-K299 PolarHBondContact O-N 2.89Å
298C94.3Very high86.8Confident10 Ų1080.8 Ų80.87%0.06841%0.41CS..  trans-65.6123.7176.3-76.40000110.6K121 L294 V295 L301K121-C298 PolarHBondContact NZ-O 3.23Å; L294-C298 PolarHBondContact O-N 3.27Å; L294-C298 PolarHBondContact O-SG 3.12Å; V295-C298 WeakPolarHBondContact O-CB 3.49Å; V295-C298 PolarHBondContact O-N 2.95Å; V295-C298 VanDerWaalsContact O-N 3.13Å; C298-L301 HydrophobicContact CB-CD2 3.92Å
299K90.8Very high84.6Confident161 Ų16185 Ų8570%0.744%0.438SS*.SBendtrans-79-45.6-179.6-67.9-179.8-179.5177.50111E269 N297E269-K299 PolarHBondContact OE2-N 3.33Å; N297-K299 PolarHBondContact O-N 2.89Å
300N90.9Very high83Confident90 Ų9090.5 Ų90.548%0.48146%0.463SS..  trans-132.7128.3179.4-63.7-79.3000109.2S267S267-N300 WeakPolarHBondContact CB-O 3.41Å; S267-N300 PolarHBondContact OG-O 3.41Å
301L93.9Very high81.5Confident0 Ų089.6 Ų89.60%046%0.462CS..SBendtrans-86.8-35173.9-65.6177.7000111.5S117 I120 K121 L229 S267 L270 C298S117-L301 PolarHBondContact OG-N 3.21Å; I120-L301 HydrophobicContact CB-CD1 3.75Å; I120-L301 HydrophobicContact CG2-CD1 3.34Å; K121-L301 HydrophobicContact CG-CD1 3.85Å; K121-L301 HydrophobicContact CG-CG 4.4Å; L229-L301 HydrophobicContact CD1-CD1 4.44Å; S267-L301 PolarHBondContact N-O 2.96Å; L270-L301 HydrophobicContact CD1-CD2 4.27Å; L270-L301 HydrophobicContact CD2-CB 4.23Å; L270-L301 HydrophobicContact CD2-CD2 4.48Å; L270-L301 WeakPolarHBondContact CD2-O 3.15Å; C298-L301 HydrophobicContact CB-CD2 3.92Å
302T91.6Very high80.4Confident30 Ų3092.9 Ų92.918%0.18449%0.485CS..BIsolated β-bridgetrans-108.6148.8-179.455.10000111.8C233 P265C233-T302 HydrophobicContact CB-CG2 4.08Å; P265-T302 CarbonylContact O-C 3.04Å; P265-T302 WeakPolarHBondContact O-CA 3.24Å
303R87.5Confident79.5Confident126 Ų12695.7 Ų95.748%0.47551%0.505SS..  trans-78.6136.5168-175.4172.868.6-156.5-1.7108.7P265 L305P265-R303 PolarHBondContact O-N 3.38Å; R303-L305 PolarHBondContact O-N 3.44Å
304R71.6Confident78.6Confident236 Ų236102.1 Ų102.189%0.89152%0.52SS*.  trans-58.7113.9163.3-72.5-169.8-176.3-167.91.5107.4R306R304-R306 PolarHBondContact O-N 3.18Å
305L63.5Low77.6Confident130 Ų130105.4 Ų105.468%0.68153%0.53SS*.  trans-58.1108.3164.5-68.9169.6000105P265 R303P265-L305 HydrophobicContact CB-CD2 4.18Å; R303-L305 PolarHBondContact O-N 3.44Å
306R53.9Low76.9Confident224 Ų224109.7 Ų109.785%0.84555%0.552SS**PPolyproline II helixtrans-54.3133.3160.4-91.6-159.3-101.5-170.6-5.2104.7R304 A308R304-R306 PolarHBondContact O-N 3.18Å; R306-A308 PolarHBondContact O-N 2.83Å
307P49.6Very low76.3Confident118 Ų118109.5 Ų109.577%0.76656%0.555SS**PPolyproline II helixtrans-46.6121.2164.1-21.130.5000105.7P309P307-P309 VanDerWaalsContact O-N 3.13Å
308A55.3Low75.8Confident81 Ų81110 Ų11067%0.66955%0.549SS*.PPolyproline II helixtrans-51.2129.1168.500000104.8R306 L310R306-A308 PolarHBondContact O-N 2.83Å; A308-L310 PolarHBondContact O-N 3.27Å; A308-L310 VanDerWaalsContact O-N 3.08Å
309P51.2Low75.3Confident99 Ų99113.2 Ų113.264%0.64356%0.563SS**PPolyproline II helixtrans-51.3130.1173.221.6-30.1000106.2P307 V311P307-P309 VanDerWaalsContact O-N 3.13Å; P309-V311 WeakPolarHBondContact CB-O 3.39Å; P309-V311 CarbonylContact O-C 3.51Å; P309-V311 PolarHBondContact O-N 3.07Å
310L65.6Low75.2Confident187 Ų187111.9 Ų111.998%0.97956%0.559SS**SBendtrans-51.8-18.2-177.8-66.6173000111.9A308A308-L310 PolarHBondContact O-N 3.27Å; A308-L310 VanDerWaalsContact O-N 3.08Å
311V66.6Low75.2Confident53 Ų53113 Ų11332%0.32156%0.561SS.*SBendtrans-125.8126.6-179-1710000109.4P309 Y315 L316P309-V311 WeakPolarHBondContact CB-O 3.39Å; P309-V311 CarbonylContact O-C 3.51Å; P309-V311 PolarHBondContact O-N 3.07Å; V311-Y315 HydrophobicContact CG1-CD1 3.09Å; V311-Y315 HydrophobicContact CG1-CE1 3.8Å; V311-Y315 HydrophobicContact CG1-CG 3.79Å; V311-L316 HydrophobicContact CB-CD2 4.36Å; V311-L316 HydrophobicContact CB-CG 4.34Å; V311-L316 HydrophobicContact CG1-CD2 3.9Å; V311-L316 HydrophobicContact CG1-CG 3.84Å
312S76.7Confident74.8Confident70 Ų70116.7 Ų116.749%0.4958%0.578SS.*  trans-59.1142.1175.1177.30000111R314 Y315 L316S312-R314 PolarHBondContact O-N 3.32Å; S312-R314 VanDerWaalsContact O-N 3.16Å; S312-R314 PolarHBondContact OG-N 2.93Å; S312-Y315 WeakPolarHBondContact O-CA 3.36Å; S312-Y315 WeakPolarHBondContact O-CB 3.45Å; S312-Y315 PolarHBondContact O-N 3.05Å; S312-L316 PolarHBondContact O-N 3.45Å
313S78.5Confident74.6Confident93 Ų93121.2 Ų121.265%0.6560%0.597SS**Hα-helixtrans-55.4-31.2172.245.70000112.5A317S313-A317 WeakPolarHBondContact O-CB 3.44Å; S313-A317 PolarHBondContact O-N 3.22Å
314R79.3Confident74.6Confident212 Ų212121 Ų12180%0.860%0.602SS**Hα-helixtrans-65.4-39.1171.9-80.4-172.7-178.9176.30.5112.8S312 A317 Y318S312-R314 PolarHBondContact O-N 3.32Å; S312-R314 VanDerWaalsContact O-N 3.16Å; S312-R314 PolarHBondContact OG-N 2.93Å; R314-A317 PolarHBondContact O-N 3.42Å; R314-Y318 WeakPolarHBondContact O-CB 3.26Å; R314-Y318 PolarHBondContact O-N 2.84Å
315Y78.5Confident75.2Confident121 Ų121114 Ų11448%0.47558%0.58SS.*Hα-helixtrans-70.7-40.4178.2-179.7-84.5000111.1V311 S312 A317 Y318 Q319V311-Y315 HydrophobicContact CG1-CD1 3.09Å; V311-Y315 HydrophobicContact CG1-CE1 3.8Å; V311-Y315 HydrophobicContact CG1-CG 3.79Å; S312-Y315 WeakPolarHBondContact O-CA 3.36Å; S312-Y315 WeakPolarHBondContact O-CB 3.45Å; S312-Y315 PolarHBondContact O-N 3.05Å; Y315-A317 VanDerWaalsContact C-N 3.34Å; Y315-A317 PolarHBondContact O-N 2.7Å; Y315-Y318 PolarHBondContact O-N 3.35Å; Y315-Q319 HydrophobicContact CD1-CG 3.97Å; Y315-Q319 HydrophobicContact CE1-CG 3.65Å; Y315-Q319 WeakPolarHBondContact O-CG 3.36Å; Y315-Q319 PolarHBondContact O-N 3.29Å; Y315-Q319 PolarHBondContact OH-NE2 2.82Å
316L82.3Confident76Confident90 Ų90113.8 Ų113.847%0.47158%0.575SS.*Hα-helixtrans-60.7-44.2173.1-68.9172.3000111.4V311 S312 Y318 Q319 Q320V311-L316 HydrophobicContact CB-CD2 4.36Å; V311-L316 HydrophobicContact CB-CG 4.34Å; V311-L316 HydrophobicContact CG1-CD2 3.9Å; V311-L316 HydrophobicContact CG1-CG 3.84Å; S312-L316 PolarHBondContact O-N 3.45Å; L316-Y318 PolarHBondContact O-N 3.47Å; L316-Q319 PolarHBondContact O-N 3.44Å; L316-Q320 WeakPolarHBondContact O-CB 3.49Å; L316-Q320 PolarHBondContact O-N 3.23Å
317A84.4Confident77.3Confident53 Ų53108.1 Ų108.144%0.43856%0.559SS.*Hα-helixtrans-62.1-42.7175.500000112.1S313 R314 Y315 Q320 Q321S313-A317 WeakPolarHBondContact O-CB 3.44Å; S313-A317 PolarHBondContact O-N 3.22Å; R314-A317 PolarHBondContact O-N 3.42Å; Y315-A317 VanDerWaalsContact C-N 3.34Å; Y315-A317 PolarHBondContact O-N 2.7Å; A317-Q320 PolarHBondContact O-N 3.43Å; A317-Q321 WeakPolarHBondContact O-CB 3.46Å; A317-Q321 PolarHBondContact O-N 3.48Å
318Y86.1Confident78.7Confident127 Ų127107.7 Ų107.750%0.49855%0.551SS.*Hα-helixtrans-61.6-44.6174.9176.3-101.7000112R314 Y315 L316 Q320 Q321 Q322R314-Y318 WeakPolarHBondContact O-CB 3.26Å; R314-Y318 PolarHBondContact O-N 2.84Å; Y315-Y318 PolarHBondContact O-N 3.35Å; L316-Y318 PolarHBondContact O-N 3.47Å; Y318-Q320 PolarHBondContact O-N 2.96Å; Y318-Q321 PolarHBondContact O-N 3.31Å; Y318-Q322 HydrophobicContact CD1-CG 4.27Å; Y318-Q322 HydrophobicContact CE1-CG 3.9Å; Y318-Q322 HydrophobicContact CE2-CG 4.22Å; Y318-Q322 VanDerWaalsContact O-CG 3.23Å; Y318-Q322 WeakPolarHBondContact O-CG 3.37Å; Y318-Q322 PolarHBondContact O-N 3.07Å; Y318-Q322 PolarHBondContact OH-NE2 2.86Å; Y318-Q322 VanDerWaalsContact OH-NE2 3.09Å
319Q83.3Confident79.7Confident77 Ų77109.5 Ų109.536%0.3655%0.548SS..Hα-helixtrans-62.8-41175.9-76.2-161.4-3000112.5Y315 L316 Q321 Q322 Q323Y315-Q319 HydrophobicContact CD1-CG 3.97Å; Y315-Q319 HydrophobicContact CE1-CG 3.65Å; Y315-Q319 WeakPolarHBondContact O-CG 3.36Å; Y315-Q319 PolarHBondContact O-N 3.29Å; Y315-Q319 PolarHBondContact OH-NE2 2.82Å; L316-Q319 PolarHBondContact O-N 3.44Å; Q319-Q321 VanDerWaalsContact C-N 3.34Å; Q319-Q322 PolarHBondContact O-N 3.13Å; Q319-Q323 WeakPolarHBondContact O-CG 3.47Å; Q319-Q323 PolarHBondContact O-N 3.31Å
320Q88.8Confident80.6Confident132 Ų132111.2 Ų111.262%0.61755%0.548SS*.Hα-helixtrans-64-41.9176.8-169.4172.126.400111.3L316 A317 Y318 Q322 Q323 Q324L316-Q320 WeakPolarHBondContact O-CB 3.49Å; L316-Q320 PolarHBondContact O-N 3.23Å; A317-Q320 PolarHBondContact O-N 3.43Å; Y318-Q320 PolarHBondContact O-N 2.96Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 3.04Å; Q320-Q323 PolarHBondContact O-N 3.37Å; Q320-Q324 WeakPolarHBondContact O-CB 3.4Å; Q320-Q324 PolarHBondContact O-N 3.23Å
321Q90.6Very high80.6Confident114 Ų114109.6 Ų109.653%0.53354%0.535SS..Hα-helixtrans-62.5-41175.4-166.6-174.33.100111.7A317 Y318 Q319 Q324 Q325A317-Q321 WeakPolarHBondContact O-CB 3.46Å; A317-Q321 PolarHBondContact O-N 3.48Å; Y318-Q321 PolarHBondContact O-N 3.31Å; Q319-Q321 VanDerWaalsContact C-N 3.34Å; Q321-Q324 PolarHBondContact O-N 3.01Å; Q321-Q325 WeakPolarHBondContact O-CG 3.46Å; Q321-Q325 PolarHBondContact O-N 3.15Å
322Q86.4Confident80.3Confident77 Ų77109.3 Ų109.336%0.3654%0.543SS..Hα-helixtrans-64-42.7176.2-69.7-81.566.600112.1Y318 Q319 Q320 Q324 Q325 Q326Y318-Q322 HydrophobicContact CD1-CG 4.27Å; Y318-Q322 HydrophobicContact CE1-CG 3.9Å; Y318-Q322 HydrophobicContact CE2-CG 4.22Å; Y318-Q322 VanDerWaalsContact O-CG 3.23Å; Y318-Q322 WeakPolarHBondContact O-CG 3.37Å; Y318-Q322 PolarHBondContact O-N 3.07Å; Y318-Q322 PolarHBondContact OH-NE2 2.86Å; Y318-Q322 VanDerWaalsContact OH-NE2 3.09Å; Q319-Q322 PolarHBondContact O-N 3.13Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 3.04Å; Q322-Q324 VanDerWaalsContact C-N 3.34Å; Q322-Q325 PolarHBondContact O-N 3.3Å; Q322-Q326 PolarHBondContact O-N 3.32Å; Q322-Q326 VanDerWaalsContact O-N 3.07Å
323Q86.1Confident78.9Confident125 Ų125112.8 Ų112.858%0.58456%0.555SS**Hα-helixtrans-63.7-40.5175.5-74.8177.410.500111.9Q319 Q320 Q325 Q326 M327Q319-Q323 WeakPolarHBondContact O-CG 3.47Å; Q319-Q323 PolarHBondContact O-N 3.31Å; Q320-Q323 PolarHBondContact O-N 3.37Å; Q323-Q325 VanDerWaalsContact C-N 3.35Å; Q323-Q325 PolarHBondContact O-N 3.42Å; Q323-Q326 PolarHBondContact O-N 3.4Å; Q323-M327 WeakPolarHBondContact O-CG 3.44Å; Q323-M327 PolarHBondContact O-N 3.01Å
324Q88Confident77.3Confident122 Ų122117.5 Ų117.557%0.5757%0.567SS**Hα-helixtrans-68.4-35.1179.3-160.5150.232.300112.1Q320 Q321 Q322 M327 N328Q320-Q324 WeakPolarHBondContact O-CB 3.4Å; Q320-Q324 PolarHBondContact O-N 3.23Å; Q321-Q324 PolarHBondContact O-N 3.01Å; Q322-Q324 VanDerWaalsContact C-N 3.34Å; Q324-M327 PolarHBondContact O-N 3.37Å; Q324-N328 WeakPolarHBondContact O-CB 3.36Å; Q324-N328 VanDerWaalsContact O-CG 3.23Å; Q324-N328 PolarHBondContact O-N 3.08Å
325Q84Confident75.6Confident90 Ų90109.3 Ų109.342%0.42155%0.548SS..Hα-helixtrans-64.1-41.8171.1-73.5177.34900112.2Q321 Q322 Q323 N328 L329Q321-Q325 WeakPolarHBondContact O-CG 3.46Å; Q321-Q325 PolarHBondContact O-N 3.15Å; Q322-Q325 PolarHBondContact O-N 3.3Å; Q323-Q325 VanDerWaalsContact C-N 3.35Å; Q323-Q325 PolarHBondContact O-N 3.42Å; Q325-N328 PolarHBondContact O-N 3.38Å; Q325-L329 WeakPolarHBondContact O-CB 3.34Å; Q325-L329 WeakPolarHBondContact O-CD1 3.33Å; Q325-L329 WeakPolarHBondContact O-CG 3.33Å; Q325-L329 PolarHBondContact O-N 3.38Å
326Q81.5Confident73.6Confident124 Ų124114.5 Ų114.558%0.57957%0.568SS**Hα-helixtrans-64-41.2175.6-77.1-178.310.300112.7Q322 Q323 N328 L329 Q330Q322-Q326 PolarHBondContact O-N 3.32Å; Q322-Q326 VanDerWaalsContact O-N 3.07Å; Q323-Q326 PolarHBondContact O-N 3.4Å; Q326-N328 VanDerWaalsContact C-N 3.35Å; Q326-L329 PolarHBondContact O-N 2.97Å; Q326-Q330 PolarHBondContact O-N 3.42Å
327M79.9Confident71.4Confident105 Ų105115.2 Ų115.252%0.51758%0.579SS.*Hα-helixtrans-61-43.8174.3-73.6-71.9-6700111.6Q323 Q324 L329 Q330 Q331Q323-M327 WeakPolarHBondContact O-CG 3.44Å; Q323-M327 PolarHBondContact O-N 3.01Å; Q324-M327 PolarHBondContact O-N 3.37Å; M327-L329 PolarHBondContact O-N 3.45Å; M327-Q330 PolarHBondContact O-N 3.42Å; M327-Q331 PolarHBondContact O-N 3.19Å
328N80.5Confident68.9Low110 Ų110121.3 Ų121.359%0.58860%0.598SS**Hα-helixtrans-65.3-38177.2-71.9-8.2000112.1Q324 Q325 Q326 Q331 G332Q324-N328 WeakPolarHBondContact O-CB 3.36Å; Q324-N328 VanDerWaalsContact O-CG 3.23Å; Q324-N328 PolarHBondContact O-N 3.08Å; Q325-N328 PolarHBondContact O-N 3.38Å; Q326-N328 VanDerWaalsContact C-N 3.35Å; N328-Q331 PolarHBondContact O-N 3.41Å; N328-G332 PolarHBondContact O-N 3.41Å
329L74.9Confident66.4Low119 Ų119125 Ų12562%0.62362%0.62SS**Hα-helixtrans-65.1-40.6174.8-77.4158.5000111.9Q325 Q326 M327 G332 I333Q325-L329 WeakPolarHBondContact O-CB 3.34Å; Q325-L329 WeakPolarHBondContact O-CD1 3.33Å; Q325-L329 WeakPolarHBondContact O-CG 3.33Å; Q325-L329 PolarHBondContact O-N 3.38Å; Q326-L329 PolarHBondContact O-N 2.97Å; M327-L329 PolarHBondContact O-N 3.45Å; L329-G332 PolarHBondContact O-N 2.98Å; L329-I333 WeakPolarHBondContact O-CG1 3.4Å; L329-I333 PolarHBondContact O-N 2.87Å
330Q70.6Confident63.9Low134 Ų134124.5 Ų124.563%0.62663%0.634SS**Hα-helixtrans-68.6-37.5177.5-75.7179.36.600112.7Q326 M327 G332 I333Q326-Q330 PolarHBondContact O-N 3.42Å; M327-Q330 PolarHBondContact O-N 3.42Å; Q330-G332 VanDerWaalsContact C-N 3.32Å; Q330-I333 PolarHBondContact O-N 2.85Å
331Q65.7Low61Low153 Ų153129 Ų12972%0.71565%0.647SS**Hα-helixtrans-73.2-25175-66.6-155.74.700113M327 N328 I333M327-Q331 PolarHBondContact O-N 3.19Å; N328-Q331 PolarHBondContact O-N 3.41Å; Q331-I333 VanDerWaalsContact C-N 3.3Å; Q331-I333 PolarHBondContact O-N 3.05Å
332G59.7Low58.1Low48 Ų48131 Ų13150%0.49566%0.659SS.*Hα-helixtrans-71.2-17.1174.500000115N328 L329 Q330 Q334N328-G332 PolarHBondContact O-N 3.41Å; L329-G332 PolarHBondContact O-N 2.98Å; Q330-G332 VanDerWaalsContact C-N 3.32Å; G332-Q334 VanDerWaalsContact C-N 3.27Å; G332-Q334 PolarHBondContact O-N 2.59Å
333I48.8Very low55.9Low143 Ų143132 Ų13273%0.73367%0.672SS**THydrogen-bonded Turntrans-78.3-7.5-176.2-67.2164.9000112.8L329 Q330 Q331 G335L329-I333 WeakPolarHBondContact O-CG1 3.4Å; L329-I333 PolarHBondContact O-N 2.87Å; Q330-I333 PolarHBondContact O-N 2.85Å; Q331-I333 VanDerWaalsContact C-N 3.3Å; Q331-I333 PolarHBondContact O-N 3.05Å; I333-G335 VanDerWaalsContact C-N 3.33Å
334Q45.1Very low53.1Low192 Ų192132.2 Ų132.290%0.89768%0.682SS**THydrogen-bonded Turntrans-87.27.6173.7-74.6-164.9-7.800115G332G332-Q334 VanDerWaalsContact C-N 3.27Å; G332-Q334 PolarHBondContact O-N 2.59Å
335G42.9Very low50.5Low40 Ų40134.7 Ų134.741%0.41269%0.693SS.*SBendtrans-144.2123.917700000112.9I333I333-G335 VanDerWaalsContact C-N 3.33Å
336Y36.4Very low47.9Very low229 Ų229138.1 Ų138.190%0.89872%0.715SS**  trans105.1115156.2-63.2-81000118.5
337P36.7Very low45.6Very low106 Ų106139.4 Ų139.469%0.68872%0.724SS**  trans-85.3143.2165.634.1-28.5000111.8
338H30.7Very low43.2Very low180 Ų180137.2 Ų137.283%0.83373%0.728SS**  trans45.7104.3149.6-59-65000120.9
339Q34.1Very low40.9Very low206 Ų206141.1 Ų141.196%0.96374%0.74SS**  trans169.6132.6141-95.8167.214.400105.3
340G30.3Very low38.7Very low65 Ų65140.7 Ų140.767%0.6775%0.745SS**  cis149.7128.51200000105.8
341Y29.1Very low37Very low226 Ų226145.8 Ų145.889%0.88676%0.759SS**  trans73.7115167.9-81.5-104.1000119.1
342M28.7Very low35.4Very low156 Ų156143.3 Ų143.377%0.76876%0.755SS**  98162.564.9-76-79.8176.500111.8
343P39.5Very low34Very low99 Ų99146.7 Ų146.764%0.64377%0.769SS**  -126.6-173.1-94.531.2-7.3000115.1
344T28.7Very low33.2Very low129 Ų129146 Ų14679%0.79177%0.771SS**  trans82.5131.3166.380.80000115
345Q32.8Very low32.4Very low174 Ų174141.8 Ų141.881%0.81376%0.761SS**  cis-141.6129.749-69.4170.4-21.400111.9
346N28.7Very low31.7Very low163 Ų163148.5 Ų148.587%0.87278%0.782SS**  trans-97.499179-155.86.8000107.7G348N346-G348 PolarHBondContact O-N 2.68Å
347I34.4Very low31.2Very low150 Ų150147.1 Ų147.177%0.76978%0.78SS**  trans-96.485.3167.3-57.5178.3000106.3
348G28Very low30.7Very low59 Ų59147.7 Ų147.761%0.60878%0.782SS**  trans-78.2126.5175.400000111.1N346N346-G348 PolarHBondContact O-N 2.68Å
349F32.4Very low30.5Very low192 Ų192144.1 Ų144.184%0.84278%0.777SS**  trans-108.9129.5151.2-99.7-84.7000108.2
350P30.5Very low30Very low110 Ų110141.2 Ų141.271%0.71477%0.768SS**  trans-89136-167.434.5-31.9000111.5
351W33.9Very low29.8Very low242 Ų242150.2 Ų150.292%0.91778%0.782SS**  trans-132145.3154.9-8292.9000108.4
352P32.2Very low29.6Very low100 Ų100146.3 Ų146.365%0.64978%0.777SS**PPolyproline II helixtrans-75.7156.9-160.632.3-32.9000112.1T354P352-T354 PolarHBondContact O-N 2.87Å
353P29.7Very low29.5Very low120 Ų120147 Ų14778%0.77978%0.778SS**PPolyproline II helixtrans-67.7128.1-174.826.3-32.7000111.7
354T32.7Very low28.6Very low128 Ų128148.6 Ų148.679%0.78579%0.79SS**PPolyproline II helixtrans-64.2123.5161.3-34.20000107.7P352 Q356P352-T354 PolarHBondContact O-N 2.87Å; T354-Q356 PolarHBondContact O-N 2.95Å
355P28.4Very low28.5Very low104 Ų104147 Ų14768%0.67579%0.79SS**PPolyproline II helixtrans-60.4123.9-178.8-1929.6000109.9F357P355-F357 PolarHBondContact O-N 3.36Å
356Q28.7Very low27.9Very low181 Ų181145.5 Ų145.585%0.84679%0.793SS**  trans-63.3107.8169.3-70.3-173.5-24.800107.9T354 V358T354-Q356 PolarHBondContact O-N 2.95Å; Q356-V358 VanDerWaalsContact C-N 3.25Å; Q356-V358 PolarHBondContact O-N 3.03Å
357F25Very low27.8Very low199 Ų199143.1 Ų143.187%0.87379%0.786SS**  trans-66.290.1166.2-93.1-95.4000107.8P355 S359P355-F357 PolarHBondContact O-N 3.36Å; F357-S359 PolarHBondContact O-N 2.96Å
358V27.3Very low27.3Very low118 Ų118142.3 Ų142.372%0.71579%0.788SS**  trans-75.2104.3164.7-147.60000106.1Q356 N360Q356-V358 VanDerWaalsContact C-N 3.25Å; Q356-V358 PolarHBondContact O-N 3.03Å; V358-N360 PolarHBondContact O-N 3.49Å
359S26.3Very low27Very low106 Ų106146.7 Ų146.774%0.74180%0.796SS**  trans-66.993.3176.252.70000109.9F357F357-S359 PolarHBondContact O-N 2.96Å
360N23.5Very low26.6Very low145 Ų145143 Ų14378%0.77579%0.792SS**  trans-143.281.5160.8-91.4-18.6000108.2V358V358-N360 PolarHBondContact O-N 3.49Å
361W25.1Very low26.3Very low253 Ų253144.1 Ų144.196%0.95880%0.796SS**  trans-120.589.4167.1-8564.1000108.2
362N25.4Very low25.6Very low145 Ų145138 Ų13878%0.77579%0.79SS**  trans-96.6132.8159.3-89.2-16.3000108.3
363H26.9Very low25.1Very low171 Ų171141.3 Ų141.379%0.79280%0.801SS**  trans79108161.2-58.3-58.4000121
364C20.9Very low24.8Very low132 Ų132144.1 Ų144.189%0.89280%0.804SS**  trans12.5120.6136-81.20000119.5
365A26.2Very low24.2Very low96 Ų96144.1 Ų144.179%0.79380%0.804SS**  -159.7115.6126.800000110.1
366T20.8Very low23.9Very low142 Ų142147.3 Ų147.387%0.87181%0.814SS**  trans-76.4140.9158.736.40000109
367P24.7Very low23.6Very low112 Ų112144.2 Ų144.273%0.72781%0.808SS**  -145.1135.4116.730.2-11.4000115
368T24Very low24Very low134 Ų134139.7 Ų139.782%0.82280%0.798SS**  57.6124.2127.5-27.50000122.6
369I21.5Very low23.8Very low151 Ų151141.4 Ų141.477%0.77480%0.803SS**  trans-59.9149.1167.7-63157.1000113.5
370P24.5Very low23.7Very low115 Ų115142 Ų14275%0.74781%0.808SS**  trans-128.9118.1132.732.4-18.8000111.3
371V23.6Very low23.7Very low133 Ų133140.5 Ų140.581%0.80681%0.808SS**  8112195.9177.30000114.6
372S20.5Very low23.8Very low112 Ų112136.8 Ų136.878%0.78381%0.806SS**  trans-61.8152.3173.9-55.90000114.8
373L22.5Very low23.6Very low170 Ų170139.1 Ų139.189%0.8981%0.81SS**  trans-137.4147.6157.8-106.4159.9000111.4
374Q22.9Very low23.5Very low179 Ų179138 Ų13884%0.83682%0.815SS**  trans-87.4156.3-147.8-72.2170.8-5400116.4
375V19.3Very low23.7Very low129 Ų129138.6 Ų138.678%0.78281%0.809SS**  trans-66.1136.9163.1172.70000111T377V375-T377 HydrophobicContact CG1-CG2 4.16Å
376L21.7Very low24.1Very low171 Ų171139.1 Ų139.190%0.89580%0.804SS**  trans-123123.9163.3-85.2163.9000109.6
377T23.8Very low24.3Very low116 Ų116138.1 Ų138.171%0.71280%0.798SS**  trans-126.1-176167.355.60000107.8V375V375-T377 HydrophobicContact CG1-CG2 4.16Å
378P33.3Very low24.4Very low104 Ų104139.5 Ų139.568%0.67580%0.804SS**  -117.7172-87.734.7-17.1000111.2
379N21.9Very low24.7Very low153 Ų153138.6 Ų138.682%0.81880%0.801SS**  trans176.6121145-91.2-24.7000111.5
380S25.3Very low24.8Very low120 Ų120140 Ų14084%0.83981%0.809SS**  trans-160.299.2140.442.10000109.6
381S23.1Very low25Very low112 Ų112141.2 Ų141.278%0.78381%0.814SS**  trans-73.3130.3164.9-55.40000109.3
382L26.7Very low25.1Very low175 Ų175139.1 Ų139.192%0.91681%0.811SS**  trans-114.2109.9164.1-80.1165.3000108.7
383K20.9Very low25.4Very low195 Ų195139.5 Ų139.585%0.84881%0.811SS**  trans-91.3137.8164.2-74.7176.9169.8-177.90108.5
384V25.8Very low25.7Very low148 Ų148135.8 Ų135.890%0.89779%0.791SS**  trans-172146.6143.9-177.90000106
385D24.4Very low25.9Very low143 Ų143135.8 Ų135.877%0.76579%0.791SS**  cis-174142.3-35.5-165.126.8000103.9
386P35.9Very low26.4Very low108 Ų108131.2 Ų131.270%0.70177%0.766SS**  trans-104115.5-167.733.4-21.4000112.5
387T23.2Very low26.7Very low121 Ų121127.9 Ų127.974%0.74275%0.753SS**  trans-151135.116049.70000111.9
388T28.7Very low26.9Very low140 Ų140129.7 Ų129.786%0.85975%0.754SS**  trans93.6142.3161.571.20000118.9
389P28.8Very low26.8Very low115 Ų115126.9 Ų126.975%0.74774%0.737SS**  -126.7161.4-101.432.4-12.3000116.6T391P389-T391 PolarHBondContact O-N 2.94Å
390L24.3Very low27.1Very low180 Ų180128.9 Ų128.994%0.94274%0.738SS**  trans-12.1109.3155.8-67.1149.2000117
391T27.7Very low27.3Very low141 Ų141131 Ų13187%0.86573%0.728SS**PPolyproline II helixtrans-98.2139.4157.229.80000111P389P389-T391 PolarHBondContact O-N 2.94Å
392A26.2Very low27.5Very low90 Ų90129.7 Ų129.774%0.74472%0.717SS**PPolyproline II helixtrans-61.4162.7-16600000116
393P27.4Very low27.7Very low119 Ų119125.6 Ų125.677%0.77370%0.703SS**PPolyproline II helixtrans-75.1140.2-168.429.4-31.3000112.7H395P393-H395 PolarHBondContact O-N 3.34Å
394I28.5Very low28.3Very low93 Ų93120.1 Ų120.148%0.47769%0.694SS.*  trans-71.9111.6178.3-59.4167.4000108T87 A396T87-I394 HydrophobicContact CG2-CG2 4.23Å; I394-A396 PolarHBondContact O-N 2.92Å; I394-A396 VanDerWaalsContact O-N 3.07Å
395H28.1Very low28.6Very low178 Ų178116.9 Ų116.982%0.82468%0.683SS**  trans-63.9107.1170.9-80.6-77.1000109.7P393P393-H395 PolarHBondContact O-N 3.34Å
396A28Very low28.8Very low33 Ų33112.1 Ų112.127%0.27366%0.663SS.*  trans-80.9115.6166.800000108.4I394I394-A396 PolarHBondContact O-N 2.92Å; I394-A396 VanDerWaalsContact O-N 3.07Å
397T29.6Very low28.5Very low101 Ų101109.1 Ų109.162%0.6265%0.648SS**BIsolated β-bridgetrans-81.1121.617150.10000109.1S399T397-S399 PolarHBondContact O-N 3Å
398E26.7Very low28.8Very low154 Ų154106.5 Ų106.572%0.7264%0.639SS**  trans-66.894.4168.2-70.1-169.6150.900109.6F400E398-F400 PolarHBondContact O-N 3.25Å
399S31.3Very low28.8Very low45 Ų45103.2 Ų103.232%0.31563%0.625SS.*  trans-67.6111.9162.354.50000107.8T397 W401T397-S399 PolarHBondContact O-N 3Å; S399-W401 VanDerWaalsContact C-N 3.34Å; S399-W401 PolarHBondContact O-N 3.37Å; S399-W401 PolarHBondContact OG-NE1 2.97Å
400F28.3Very low28.7Very low195 Ų195101.6 Ų101.686%0.85562%0.622SS**  trans-61.490.8173.5-92.2-97000110.4E398E398-F400 PolarHBondContact O-N 3.25Å
401W29.3Very low28.9Very low164 Ų16498.6 Ų98.662%0.62161%0.611SS**PPolyproline II helixtrans-84.2122159.5-71.981.5000107.2S399 S403S399-W401 VanDerWaalsContact C-N 3.34Å; S399-W401 PolarHBondContact O-N 3.37Å; S399-W401 PolarHBondContact OG-NE1 2.97Å; W401-S403 PolarHBondContact O-N 2.92Å
402P28Very low28.9Very low86 Ų8699.8 Ų99.856%0.55861%0.606SS**PPolyproline II helixtrans-66.9141.7-177.131.1-35.7000109.2A406P402-A406 HydrophobicContact CB-CB 3.65Å; P402-A406 HydrophobicContact CG-CB 4.15Å
403S30.5Very low28.8Very low89 Ų89102.7 Ų102.762%0.62261%0.609SS**PPolyproline II helixtrans-53.1163.7-168.583.10000113.3W401 A405 A406 A407W401-S403 PolarHBondContact O-N 2.92Å; S403-A405 PolarHBondContact O-N 3.32Å; S403-A406 PolarHBondContact O-N 3.5Å; S403-A407 PolarHBondContact O-N 2.97Å
404A34Very low28.7Very low80 Ų80104.8 Ų104.866%0.66161%0.614SS**Hα-helixtrans-46.2-24.6-176.100000115.4
405A31.8Very low28.4Very low80 Ų80104.5 Ų104.566%0.66163%0.625SS**Hα-helixtrans-75.2-31.8174.500000114.3S403S403-A405 PolarHBondContact O-N 3.32Å
406A29.3Very low28.2Very low42 Ų42103.3 Ų103.335%0.34763%0.625SS.*Hα-helixtrans-86.4-31.3-176.200000113.2P402 S403 A408 A409 A410P402-A406 HydrophobicContact CB-CB 3.65Å; P402-A406 HydrophobicContact CG-CB 4.15Å; S403-A406 PolarHBondContact O-N 3.5Å; A406-A408 PolarHBondContact O-N 2.99Å; A406-A409 PolarHBondContact O-N 3.45Å; A406-A410 PolarHBondContact O-N 3.31Å
407A29.3Very low28Very low46 Ų46107.5 Ų107.538%0.3865%0.652SS.*Hα-helixtrans-60.9-27.4173.500000112.4S403 A409S403-A407 PolarHBondContact O-N 2.97Å; A407-A409 VanDerWaalsContact C-N 3.33Å; A407-A409 PolarHBondContact O-N 3.5Å
408A29.2Very low27.6Very low66 Ų66113.6 Ų113.655%0.54567%0.666SS.*THydrogen-bonded Turntrans-70-25.2174.500000113.4A406A406-A408 PolarHBondContact O-N 2.99Å
409A28Very low27.4Very low70 Ų70114.4 Ų114.458%0.57967%0.672SS**THydrogen-bonded Turntrans-88.7-26.2-178.400000113.5A406 A407 V411 H412A406-A409 PolarHBondContact O-N 3.45Å; A407-A409 VanDerWaalsContact C-N 3.33Å; A407-A409 PolarHBondContact O-N 3.5Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 3Å; A409-H412 PolarHBondContact O-N 3.5Å
410A27.3Very low27Very low82 Ų82117.6 Ų117.668%0.67869%0.691SS**THydrogen-bonded Turntrans-76.6-10.5-171.500000115.2A406A406-A410 PolarHBondContact O-N 3.31Å
411V29.1Very low26.9Very low117 Ų117116.4 Ų116.471%0.70969%0.692SS**THydrogen-bonded Turntrans-91.6-6.6178.9-175.90000112.7A409 N413A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 3Å; V411-N413 PolarHBondContact O-N 3.32Å
412H26.2Very low26.5Very low165 Ų165114.3 Ų114.376%0.76470%0.697SS**SBendtrans-85.80.2-177.8-106.3-64.3000116.3A409A409-H412 PolarHBondContact O-N 3.5Å
413N25.5Very low26.3Very low152 Ų152116 Ų11681%0.81371%0.709SS**  trans-122.173.2178.2-80.1-27.6000111.9V411V411-N413 PolarHBondContact O-N 3.32Å
414N25.5Very low26Very low163 Ų163118.4 Ų118.487%0.87272%0.72SS**  trans-151.558.3149.8-133.4-2.9000111.1
415A22.4Very low25.6Very low86 Ų86119.5 Ų119.571%0.71172%0.72SS**  trans-108.388.8162.900000107.3
416N22.8Very low25.2Very low153 Ų153125.5 Ų125.582%0.81873%0.727SS**  trans171.7103.9151.3-93.1-19.7000110.6
417S25Very low25.3Very low122 Ų122129.1 Ų129.185%0.85375%0.747SS**  172.494.1126.6390000109M419S417-M419 PolarHBondContact O-N 2.97Å
418Y19.8Very low24.9Very low228 Ų228133.4 Ų133.489%0.89476%0.763SS**  trans-57.6122.9153.4-88.4-102000108.8
419M23.7Very low24.7Very low172 Ų172138 Ų13885%0.84778%0.779SS**  trans-147.8130.7142.8-84.1-55.5160.700109.6S417S417-M419 PolarHBondContact O-N 2.97Å
420P22.4Very low24.7Very low112 Ų112139.2 Ų139.273%0.72779%0.789SS**  trans-86.6135.9-174.534-31000110.7
421I25.2Very low24.6Very low170 Ų170145 Ų14587%0.87280%0.798SS**  trans-111109.5166.9-52179.4000107.9
422T22Very low24.5Very low119 Ų119147.4 Ų147.473%0.7381%0.806SS**  trans-62.1149.8172.935.40000112.7
423P24.2Very low24.5Very low123 Ų123148.1 Ų148.180%0.79981%0.807SS**  trans-89137.3-168.834.7-31.9000112.3
424T24.3Very low24.4Very low139 Ų139144.2 Ų144.285%0.85380%0.803SS**  trans-129.2151.6164.146.70000110.9
425P25.6Very low24.4Very low103 Ų103146.6 Ų146.667%0.66980%0.801SS**  trans-115.4161.3-149.240.2-27.7000115.1
426Y23.2Very low24.7Very low206 Ų206147.9 Ų147.981%0.80880%0.802SS**  trans71.8157.9166-71.6-80.4000118.3
427P30.4Very low24.9Very low118 Ų118148.6 Ų148.677%0.76681%0.806SS**  cis-130.6159.47.927.9-5.2000117.6
428N21.6Very low25Very low135 Ų135151.7 Ų151.772%0.72281%0.807SS**  trans-54.9129.9156.7-76.3-31.2000111.7
429N24.7Very low25.4Very low164 Ų164146.1 Ų146.188%0.87780%0.799SS**  trans160.2100.4133.3-87.4-20.5000110.4
430A28.8Very low25.6Very low95 Ų95143.8 Ų143.879%0.78580%0.797SS**  trans-138.7107.4154.900000108.4I432A430-I432 PolarHBondContact O-N 3.04Å
431K24.4Very low25.8Very low202 Ų202146.8 Ų146.888%0.87881%0.806SS**  trans-55.2125.3179.1-73.5169.3171.3174.30110.5F433K431-F433 PolarHBondContact O-N 3.5Å
432I27.4Very low25.9Very low168 Ų168144.8 Ų144.886%0.86280%0.801SS**  trans-76.6112.1171.7-63.1175.6000107.8A430 G434A430-I432 PolarHBondContact O-N 3.04Å; I432-G434 PolarHBondContact O-N 3.43Å
433F26.4Very low26.1Very low180 Ų180145.2 Ų145.279%0.78981%0.806SS**  trans-69.8115167.3-93.8-94.9000109K431K431-F433 PolarHBondContact O-N 3.5Å
434G22.2Very low26.2Very low71 Ų71147 Ų14773%0.73281%0.807SS**  trans-76128169.100000110.6I432I432-G434 PolarHBondContact O-N 3.43Å
435Y26.8Very low26.3Very low213 Ų213145.7 Ų145.784%0.83580%0.801SS**  trans-104.2146.6159.8-89.9-84.7000109.7
436P28.6Very low26.4Very low113 Ų113151 Ų15173%0.73481%0.814SS**PPolyproline II helixtrans-88.5154.3-151.434.3-34.7000114.4Q438P436-Q438 PolarHBondContact O-N 3.47Å
437N26.9Very low26.5Very low167 Ų167147.1 Ų147.189%0.89381%0.812SS**PPolyproline II helixtrans-46.1118.9177.9-66.5-39.8000113.9
438Q26.1Very low26.3Very low188 Ų188144.5 Ų144.588%0.87981%0.806SS**PPolyproline II helixtrans-83.8138.2155.7-88.3-174.2-22.100110P436P436-Q438 PolarHBondContact O-N 3.47Å
439P28.4Very low26.4Very low110 Ų110147.8 Ų147.871%0.71482%0.815SS**PPolyproline II helixtrans-75.3153.8-175.630.4-33.4000112.5
440P28.4Very low26.4Very low124 Ų124145.7 Ų145.781%0.80581%0.807SS**PPolyproline II helixtrans-72.2130.1-172.327.5-32.8000112.6T442P440-T442 PolarHBondContact O-N 3.35Å
441L26.7Very low26.2Very low175 Ų175149.2 Ų149.292%0.91681%0.812SS**PPolyproline II helixtrans-68121.4174.3-72.1163.5000110.7
442T27.4Very low26.3Very low127 Ų127147.6 Ų147.678%0.77981%0.808SS**PPolyproline II helixtrans-72140.5173.944.20000111.9P440P440-T442 PolarHBondContact O-N 3.35Å
443P25.7Very low26.3Very low129 Ų129145.3 Ų145.384%0.83880%0.804SS**PPolyproline II helixtrans-81.5132-175.120.1-12.4000113.1
444I27.3Very low26.4Very low159 Ų159141.1 Ų141.182%0.81580%0.802SS**PPolyproline II helixtrans-79.6132.5174.1-58.8172.4000109.2
445P26Very low26.7Very low112 Ų112143.8 Ų143.873%0.72781%0.807SS**PPolyproline II helixtrans-80126.2-176.430.6-31.6000111.7T447P445-T447 PolarHBondContact O-N 3.29Å
446F26.6Very low26.8Very low216 Ų216141.1 Ų141.195%0.94781%0.812SS**  trans-81113.8175.9-131.4-95.3000110.1G448F446-G448 PolarHBondContact O-N 2.93Å
447T25.2Very low26.9Very low123 Ų123139.2 Ų139.276%0.75581%0.812SS**  trans-80.195.9172.545.80000110.2P445P445-T447 PolarHBondContact O-N 3.29Å
448G26.6Very low27Very low63 Ų63142.9 Ų142.965%0.64981%0.814SS**  trans-82.5120.8171.600000111.6F446 V450F446-G448 PolarHBondContact O-N 2.93Å; G448-V450 PolarHBondContact O-N 2.6Å
449F24.3Very low27.3Very low205 Ų205138.8 Ų138.890%0.89981%0.812SS**  trans-63125.3172.7-79.1-97.4000111.1
450V25Very low27.4Very low119 Ų119138 Ų13872%0.72182%0.815SS**  trans-87.3111.5173.9177.40000108.8G448 H452G448-V450 PolarHBondContact O-N 2.6Å; V450-H452 PolarHBondContact O-N 2.79Å
451L23.9Very low27.5Very low169 Ų169139.4 Ų139.489%0.88582%0.816SS**  trans-77.6112.7169.7-81.2161.4000109.6
452H25.8Very low27.9Very low169 Ų169135.9 Ų135.978%0.78281%0.812SS**PPolyproline II helixtrans-74.5138.4170.6-84.2-83.6000111.2V450V450-H452 PolarHBondContact O-N 2.79Å
453P27.3Very low28.2Very low120 Ų120136.1 Ų136.178%0.77981%0.813SS**PPolyproline II helixtrans-74.2139.4179.328.1-32.3000112.4
454A28.4Very low28.5Very low91 Ų91135.6 Ų135.675%0.75280%0.803SS**PPolyproline II helixtrans-67147.5177.500000112.3
455P29.3Very low29.2Very low128 Ų128133.9 Ų133.983%0.83180%0.802SS**PPolyproline II helixtrans-71.5142.8-176.7-6.821.1000112.9G457P455-G457 PolarHBondContact O-N 2.68Å
456V28.9Very low29.5Very low157 Ų157132.8 Ų132.895%0.95280%0.797SS**  trans-72.3101.7177.4-177.60000109.8
457G30.9Very low29.9Very low72 Ų72134.5 Ų134.574%0.74280%0.797SS**  trans-118.3105.2-179.800000113.1P455P455-G457 PolarHBondContact O-N 2.68Å
458R29.6Very low30.1Very low244 Ų244137.7 Ų137.792%0.92180%0.801SS**  trans43.2115.8158-78.8-178.7174.4172.9-1.7120.2A460R458-A460 PolarHBondContact O-N 2.67Å
459A31.3Very low30.3Very low102 Ų102140 Ų14084%0.84381%0.807SS**  trans-47.8127.1162.800000112.5
460A30.6Very low30.7Very low93 Ų93142 Ų14277%0.76983%0.826SS**  trans-94.793167.300000107.6R458R458-A460 PolarHBondContact O-N 2.67Å
461D31Very low31Very low154 Ų154143.2 Ų143.282%0.82483%0.831SS**  trans-157.681.8165.5-86.6-37.2000109
462A34Very low31.3Very low102 Ų102141.8 Ų141.884%0.84383%0.829SS**  trans-153.67715900000107.3D464A462-D464 PolarHBondContact O-N 2.94Å
463V33.6Very low31.6Very low131 Ų131140.3 Ų140.379%0.79483%0.831SS**  trans-69.6109.4170.51770000107.5P465V463-P465 WeakPolarHBondContact O-CD 3.38Å
464D33.4Very low31.9Very low119 Ų119141.5 Ų141.564%0.63683%0.834SS**  trans-69.5119.1172.5-176.6-21.4000109.8A462 S466A462-D464 PolarHBondContact O-N 2.94Å; D464-S466 PolarHBondContact O-N 3.18Å; D464-S466 WeakPolarHBondContact OD1-CB 3.5Å; D464-S466 PolarHBondContact OD1-N 3.3Å; D464-S466 VanDerWaalsContact OD1-N 3.09Å; D464-S466 PolarHBondContact OD1-OG 3.13Å; D464-S466 PolarHBondContact OD2-OG 3.48Å
465P41.4Very low32.1Very low122 Ų122144.7 Ų144.779%0.79284%0.839SS**THydrogen-bonded Turntrans-77.410.6-175.4-1127.7000115.8V463V463-P465 WeakPolarHBondContact O-CD 3.38Å
466S32.9Very low32.3Very low90 Ų90145.8 Ų145.863%0.62984%0.84SS**THydrogen-bonded Turntrans-90.24.4-170.160.40000117.2D464 K468D464-S466 PolarHBondContact O-N 3.18Å; D464-S466 WeakPolarHBondContact OD1-CB 3.5Å; D464-S466 PolarHBondContact OD1-N 3.3Å; D464-S466 VanDerWaalsContact OD1-N 3.09Å; D464-S466 PolarHBondContact OD1-OG 3.13Å; D464-S466 PolarHBondContact OD2-OG 3.48Å; S466-K468 PolarHBondContact O-N 3.35Å
467R35.5Very low32.6Very low251 Ų251145 Ų14595%0.94783%0.832SS**  trans-89.774.9170-79.1-169.2178.3-155.80.3112.4
468K28.3Very low32.7Very low191 Ų191150.6 Ų150.683%0.8384%0.839SS**  trans-96.8147153.8-82.9-177.8174.5178.90109.4S466S466-K468 PolarHBondContact O-N 3.35Å
469S30.8Very low32.9Very low112 Ų112142.8 Ų142.878%0.78383%0.832SS**  trans69.7101.3171.375.90000118.4
470L32.4Very low33.1Very low247 Ų247146.5 Ų146.5100%1.29383%0.831SS**  -161.3087.7-102162000109.2

Retrieved 470 of 470 residues in 118.7 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).