A0A087Y154_POEFO Loading...

non-specific serine/threonine protein kinase

Component of the EKC/KEOPS complex that is required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in tRNAs that read codons beginning with adenine. The complex is probably involved in the transfer of the threonylcarbamoyl moiety of threonylcarbamoyl-AMP (TC-AMP) to the N6 group of A37. TP53RK has ATPase activity in the context of the EKC/KEOPS complex and likely plays a supporting role to the catalytic subunit OSGEP. Atypical protein kinase that phosphorylates 'Ser-15' of p53/TP53 protein and may therefore participate in its activation.

AlphaFold DB , UniProt , Accession A0A087Y154, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M53.3Low78.6Confident207 Ų20792.3 Ų92.3100%1.0250%0.496SS*.  0134.10-84.4-177.6-92.400107.9P38M1-P38 HydrophobicContact CE-CG 3.95Å
2A62.2Low80Confident89 Ų8991.8 Ų91.874%0.73649%0.492SS*.PPolyproline II helixtrans-62.6135.8175.800000109.5
3V68.6Low81.1Confident99 Ų9990.4 Ų90.460%0.648%0.483SS*.PPolyproline II helixtrans-62.6127.3172.8177.60000107.5Q5 L7V3-Q5 PolarHBondContact O-N 3.47Å; V3-L7 HydrophobicContact CG1-CB 3.76Å
4P78.6Confident81.9Confident11 Ų1193.9 Ų93.97%0.07149%0.492CS..PPolyproline II helixtrans-51.7136.8175.5-25.431.3000111.1F6 L7 S8 Y82P4-F6 HydrophobicContact CB-CD1 3.66Å; P4-F6 HydrophobicContact CB-CD2 4.43Å; P4-F6 HydrophobicContact CB-CE1 3.31Å; P4-F6 HydrophobicContact CB-CE2 4.13Å; P4-F6 HydrophobicContact CB-CG 4.22Å; P4-F6 HydrophobicContact CB-CZ 3.56Å; P4-F6 HydrophobicContact CG-CE1 4.13Å; P4-F6 HydrophobicContact CG-CZ 4Å; P4-F6 PolarHBondContact O-N 2.87Å; P4-L7 HydrophobicContact CB-CG 4.4Å; P4-L7 HydrophobicContact CG-CD1 4.2Å; P4-L7 WeakPolarHBondContact O-CB 3.27Å; P4-L7 PolarHBondContact O-N 3.33Å; P4-S8 PolarHBondContact O-N 3.39Å; P4-Y82 HydrophobicContact CB-CD2 4.3Å; P4-Y82 HydrophobicContact CB-CE2 4.31Å; P4-Y82 HydrophobicContact CB-CG 4.49Å; P4-Y82 HydrophobicContact CG-CD1 3.59Å; P4-Y82 HydrophobicContact CG-CD2 3.9Å; P4-Y82 HydrophobicContact CG-CE1 3.86Å; P4-Y82 HydrophobicContact CG-CE2 4.13Å; P4-Y82 HydrophobicContact CG-CG 3.61Å
5Q80.8Confident82.6Confident154 Ų15495.3 Ų95.372%0.7250%0.495SS*.THydrogen-bonded Turntrans-58.6-25.8-175.9-168.1179.318.900113.1V3 S8V3-Q5 PolarHBondContact O-N 3.47Å; Q5-S8 PolarHBondContact O-OG 3.22Å
6F81.9Confident83Confident64 Ų6491.6 Ų91.628%0.28149%0.488SS..THydrogen-bonded Turntrans-71.7-31.117562.6-102.3000112.5P4 I33 Y82 C84 F86P4-F6 HydrophobicContact CB-CD1 3.66Å; P4-F6 HydrophobicContact CB-CD2 4.43Å; P4-F6 HydrophobicContact CB-CE1 3.31Å; P4-F6 HydrophobicContact CB-CE2 4.13Å; P4-F6 HydrophobicContact CB-CG 4.22Å; P4-F6 HydrophobicContact CB-CZ 3.56Å; P4-F6 HydrophobicContact CG-CE1 4.13Å; P4-F6 HydrophobicContact CG-CZ 4Å; P4-F6 PolarHBondContact O-N 2.87Å; F6-I33 HydrophobicContact CD2-CD1 4.01Å; F6-I33 HydrophobicContact CE2-CD1 4.46Å; F6-Y82 HydrophobicContact CE1-CD2 4.07Å; F6-Y82 HydrophobicContact CE1-CE2 4.5Å; F6-Y82 HydrophobicContact CZ-CD2 4.27Å; F6-C84 HydrophobicContact CZ-CB 4.49Å; F6-F86 AromaticContact CD2-CZ 3.75Å; F6-F86 HydrophobicContact CD2-CZ 3.75Å; F6-F86 HydrophobicContact CE2-CE2 4.2Å; F6-F86 AromaticContact CE2-CZ 3.75Å; F6-F86 HydrophobicContact CE2-CZ 3.75Å; F6-F86 HydrophobicContact CG-CZ 4.31Å; F6-F86 HydrophobicContact CZ-CZ 4.32Å
7L84.1Confident83.2Confident5 Ų590.9 Ų90.93%0.02650%0.498CS..G310 helixtrans-75.6-28.7175.7-67.5-174.9000112.1V3 P4 K9 A10 Y22 I33 E35V3-L7 HydrophobicContact CG1-CB 3.76Å; P4-L7 HydrophobicContact CB-CG 4.4Å; P4-L7 HydrophobicContact CG-CD1 4.2Å; P4-L7 WeakPolarHBondContact O-CB 3.27Å; P4-L7 PolarHBondContact O-N 3.33Å; L7-K9 PolarHBondContact O-N 2.84Å; L7-A10 PolarHBondContact O-N 3.37Å; L7-A10 VanDerWaalsContact O-N 3.09Å; L7-Y22 HydrophobicContact CD1-CE2 4.21Å; L7-Y22 HydrophobicContact CD2-CD2 3.73Å; L7-Y22 HydrophobicContact CD2-CE2 3.94Å; L7-Y22 HydrophobicContact CD2-CG 4.05Å; L7-I33 HydrophobicContact CD2-CB 4.42Å; L7-I33 HydrophobicContact CD2-CD1 4.02Å; L7-I33 HydrophobicContact CD2-CG2 3.93Å; L7-E35 HydrophobicContact CD1-CB 4.38Å; L7-E35 HydrophobicContact CD1-CG 4.09Å; L7-E35 WeakPolarHBondContact CD1-OE1 3.28Å
8S81.9Confident83.3Confident84 Ų8490.2 Ų90.259%0.58749%0.491SS*.G310 helixtrans-67.3-19.2-179.868.60000113.6P4 Q5P4-S8 PolarHBondContact O-N 3.39Å; Q5-S8 PolarHBondContact O-OG 3.22Å
9K85.3Confident83.8Confident169 Ų16986.1 Ų86.174%0.73547%0.47SS*.G310 helixtrans-99.5-2.4175.6-62.6-175.3-179.7-178.10113L7L7-K9 PolarHBondContact O-N 2.84Å
10A92.5Very high84.3Confident16 Ų1685.2 Ų85.213%0.13246%0.459CS..SBendtrans-96145.7-177.200000110.7L7 Y22 R23 I33L7-A10 PolarHBondContact O-N 3.37Å; L7-A10 VanDerWaalsContact O-N 3.09Å; A10-Y22 HydrophobicContact CB-CD1 4.23Å; A10-Y22 HydrophobicContact CB-CG 4.32Å; A10-R23 WeakPolarHBondContact CA-O 3.4Å; A10-I33 HydrophobicContact CB-CD1 4.49Å
11E95.2Very high84.9Confident117 Ų11783.7 Ų83.755%0.54745%0.451SS..EExtended strand (participates in β ladder)trans-83.6121.5178-179.6-168.1-17300109.4I13 Y22 R23E11-I13 PolarHBondContact O-N 3.14Å; E11-Y22 CarbonylContact O-C 3.49Å; E11-Y22 WeakPolarHBondContact O-CA 3.43Å; E11-R23 HydrophobicContact CB-CB 4.33Å; E11-R23 PolarHBondContact N-O 2.75Å; E11-R23 PolarHBondContact O-N 3.46Å; E11-R23 IonicContact OE2-NH1 2.8Å
12L95.5Very high86.9Confident87 Ų8775 Ų7546%0.45541%0.407SS..EExtended strand (participates in β ladder)trans-71.9115.8174.617968.8000110.1R20 Y22L12-R20 HydrophobicContact CD1-CB 3.93Å; L12-R20 HydrophobicContact CD1-CG 4.29Å; L12-Y22 HydrophobicContact CB-CD1 3.99Å; L12-Y22 HydrophobicContact CB-CE1 3.94Å; L12-Y22 HydrophobicContact CD1-CD1 4Å; L12-Y22 HydrophobicContact CD1-CE1 3.67Å; L12-Y22 HydrophobicContact CD1-CE2 4.29Å; L12-Y22 HydrophobicContact CD1-CG 4.44Å; L12-Y22 HydrophobicContact CG-CE1 4.36Å
13I94Very high88.6Confident73 Ų7375.4 Ų75.437%0.37439%0.389SS..EExtended strand (participates in β ladder)trans-88.4-47.3179.1-56166.4000110.7E11 L21 R23 I32E11-I13 PolarHBondContact O-N 3.14Å; I13-L21 PolarHBondContact N-O 2.88Å; I13-R23 HydrophobicContact CD1-CB 3.56Å; I13-R23 HydrophobicContact CG1-CB 3.83Å; I13-I32 HydrophobicContact CD1-CD1 3.5Å; I13-I32 VanDerWaalsContact CD1-CD1 3.5Å
14K92.4Very high89.9Confident140 Ų14072.3 Ų72.361%0.60937%0.371SS*.EExtended strand (participates in β ladder)trans-153.9141-171.5-168.3174-178.3-178.90111R20 L21K14-R20 WeakPolarHBondContact O-CA 3.42Å; K14-L21 HydrophobicContact CB-CB 4.47Å; K14-L21 PolarHBondContact N-O 3.42Å; K14-L21 PolarHBondContact O-N 3.44Å
15Q92.7Very high90.7Very high114 Ų11478.5 Ų78.553%0.53340%0.399SS..EExtended strand (participates in β ladder)trans-116.1117.8168.9179168.2-52.700109.4R20Q15-R20 HydrophobicContact CB-CG 4.18Å; Q15-R20 HydrophobicContact CG-CG 3.86Å
16G89.1Confident91.3Very high37 Ų3773.7 Ų73.738%0.38138%0.376SS..  trans-96.9-176.3171.500000112.1E18 A19G16-E18 VanDerWaalsContact C-N 3.25Å; G16-E18 PolarHBondContact O-N 3.07Å; G16-A19 PolarHBondContact N-O 3.48Å
17A86.1Confident91.9Very high80 Ų8078 Ų7866%0.66140%0.401SS*.SBendtrans-66.6-28.4173.900000112.1F37 K39A17-F37 WeakPolarHBondContact O-CZ 3.22Å; A17-K39 WeakPolarHBondContact O-CE 3.46Å; A17-K39 PolarHBondContact O-NZ 3.37Å
18E84.6Confident92.3Very high78 Ų7880.3 Ų80.336%0.36443%0.426SS..SBendtrans-116-19.9-171.1-58.4-164.5126.200114.8G16 R54G16-E18 VanDerWaalsContact C-N 3.25Å; G16-E18 PolarHBondContact O-N 3.07Å; E18-R54 VanDerWaalsContact CD-NH1 3.33Å; E18-R54 IonicContact OE1-CZ 3.9Å; E18-R54 IonicContact OE1-NH1 2.69Å; E18-R54 PolarHBondContact OE1-NH1 3.45Å; E18-R54 IonicContact OE1-NH2 3.01Å; E18-R54 PolarHBondContact OE1-NH2 3.42Å; E18-R54 IonicContact OE2-CZ 3.99Å; E18-R54 IonicContact OE2-NH1 3.52Å; E18-R54 IonicContact OE2-NH2 3.52Å; E18-R54 PolarHBondContact OE2-NH2 3.46Å
19A92.8Very high93Very high12 Ų1281.6 Ų81.610%0.09942%0.421CS..  trans-151.8158.1-176.300000111.6G16 K34 E35 R36G16-A19 PolarHBondContact N-O 3.48Å; A19-K34 HydrophobicContact CB-CG 3.92Å; A19-E35 CarbonylContact C-O 3.48Å; A19-E35 WeakPolarHBondContact CA-O 3.42Å; A19-E35 WeakPolarHBondContact CB-O 3.28Å; A19-R36 HydrophobicContact CB-CG 4.39Å
20R94.9Very high93.5Very high67 Ų6776.7 Ų76.725%0.25341%0.406SS..EExtended strand (participates in β ladder)trans-107.9138.1165.9-67.8179.5-167.9122.9-2.9109.1L12 K14 Q15 Y22 E35 F37L12-R20 HydrophobicContact CD1-CB 3.93Å; L12-R20 HydrophobicContact CD1-CG 4.29Å; K14-R20 WeakPolarHBondContact O-CA 3.42Å; Q15-R20 HydrophobicContact CB-CG 4.18Å; Q15-R20 HydrophobicContact CG-CG 3.86Å; R20-Y22 HydrophobicContact CB-CD2 4.2Å; R20-Y22 HydrophobicContact CB-CE2 3.42Å; R20-Y22 VanDerWaalsContact CB-CE2 3.42Å; R20-Y22 WeakPolarHBondContact CD-OH 3.3Å; R20-Y22 HydrophobicContact CG-CE2 4.49Å; R20-E35 IonicContact CZ-OE2 3.85Å; R20-E35 PolarHBondContact N-O 3.01Å; R20-E35 IonicContact NH1-OE2 2.67Å; R20-E35 PolarHBondContact NH1-OE2 3.33Å; R20-E35 PolarHBondContact O-N 3.11Å; R20-F37 HydrophobicContact CG-CD1 4Å; R20-F37 HydrophobicContact CG-CE1 4.27Å
21L95.9Very high93.7Very high55 Ų5575.9 Ų75.929%0.28840%0.4SS..EExtended strand (participates in β ladder)trans-107124.5176.2-60.9-178.5000108.8I13 K14 I32 I33 K34I13-L21 PolarHBondContact N-O 2.88Å; K14-L21 HydrophobicContact CB-CB 4.47Å; K14-L21 PolarHBondContact N-O 3.42Å; K14-L21 PolarHBondContact O-N 3.44Å; L21-I32 HydrophobicContact CB-CG2 4.46Å; L21-I32 HydrophobicContact CD2-CG2 4.18Å; L21-I33 CarbonylContact C-O 3.58Å; L21-I33 WeakPolarHBondContact CA-O 3.4Å; L21-K34 HydrophobicContact CD2-CB 3.77Å; L21-K34 HydrophobicContact CD2-CD 4.21Å; L21-K34 HydrophobicContact CD2-CG 3.73Å
22Y96.7Very high93.8Very high24 Ų2471.7 Ų71.79%0.09438%0.381CS..EExtended strand (participates in β ladder)trans-118.5142.7177.2-57.1-98.4000110.6L7 A10 E11 L12 R20 I32 I33 E35L7-Y22 HydrophobicContact CD1-CE2 4.21Å; L7-Y22 HydrophobicContact CD2-CD2 3.73Å; L7-Y22 HydrophobicContact CD2-CE2 3.94Å; L7-Y22 HydrophobicContact CD2-CG 4.05Å; A10-Y22 HydrophobicContact CB-CD1 4.23Å; A10-Y22 HydrophobicContact CB-CG 4.32Å; E11-Y22 CarbonylContact O-C 3.49Å; E11-Y22 WeakPolarHBondContact O-CA 3.43Å; L12-Y22 HydrophobicContact CB-CD1 3.99Å; L12-Y22 HydrophobicContact CB-CE1 3.94Å; L12-Y22 HydrophobicContact CD1-CD1 4Å; L12-Y22 HydrophobicContact CD1-CE1 3.67Å; L12-Y22 HydrophobicContact CD1-CE2 4.29Å; L12-Y22 HydrophobicContact CD1-CG 4.44Å; L12-Y22 HydrophobicContact CG-CE1 4.36Å; R20-Y22 HydrophobicContact CB-CD2 4.2Å; R20-Y22 HydrophobicContact CB-CE2 3.42Å; R20-Y22 VanDerWaalsContact CB-CE2 3.42Å; R20-Y22 WeakPolarHBondContact CD-OH 3.3Å; R20-Y22 HydrophobicContact CG-CE2 4.49Å; Y22-I32 CarbonylContact O-C 3.51Å; Y22-I32 VanDerWaalsContact O-CA 3.32Å; Y22-I32 WeakPolarHBondContact O-CA 3.21Å; Y22-I33 PolarHBondContact N-O 2.91Å; Y22-I33 PolarHBondContact O-N 3.44Å; Y22-E35 HydrophobicContact CD2-CB 4.38Å; Y22-E35 HydrophobicContact CE2-CB 3.89Å; Y22-E35 PolarHBondContact OH-OE2 3.21Å
23R96.7Very high93.9Very high97 Ų9767.6 Ų67.637%0.36636%0.359SS..EExtended strand (participates in β ladder)trans-95.4135.7170.1-179.2176.4-74.6136.3-5.6109.7A10 E11 I13 I32 E89A10-R23 WeakPolarHBondContact CA-O 3.4Å; E11-R23 HydrophobicContact CB-CB 4.33Å; E11-R23 PolarHBondContact N-O 2.75Å; E11-R23 PolarHBondContact O-N 3.46Å; E11-R23 IonicContact OE2-NH1 2.8Å; I13-R23 HydrophobicContact CD1-CB 3.56Å; I13-R23 HydrophobicContact CG1-CB 3.83Å; R23-I32 HydrophobicContact CB-CD1 4.42Å; R23-E89 IonicContact CZ-OE1 3.71Å; R23-E89 IonicContact NE-OE1 3.43Å; R23-E89 PolarHBondContact NE-OE1 2.73Å; R23-E89 IonicContact NE-OE2 2.77Å; R23-E89 PolarHBondContact NE-OE2 3.03Å; R23-E89 IonicContact NH2-OE1 3.93Å; R23-E89 PolarHBondContact NH2-OE1 2.66Å
24T95.8Very high94Very high35 Ų3564.6 Ų64.622%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-156.2-179.9175.1-160.80000111.3T31 I33T24-T31 HydrophobicContact CG2-CG2 4.32Å; T24-T31 PolarHBondContact N-O 3.32Å; T24-T31 PolarHBondContact O-N 2.86Å; T24-T31 VanDerWaalsContact O-O 3.14Å; T24-I33 HydrophobicContact CG2-CD1 3.59Å; T24-I33 HydrophobicContact CG2-CG1 3.88Å
25E95.3Very high94.1Very high141 Ų14159 Ų5966%0.65932%0.319SS*.EExtended strand (participates in β ladder)trans-109.1124.5166.6-169-176.2120.500109G28 K29E25-G28 VanDerWaalsContact OE1-CA 3.31Å; E25-G28 WeakPolarHBondContact OE1-CA 3.22Å; E25-K29 WeakPolarHBondContact CA-O 3.38Å
26F94.4Very high94.1Very high52 Ų5253.7 Ų53.723%0.22830%0.295CS..EExtended strand (participates in β ladder)trans-118.2114.5177.1-175.7-105.9000109.3G28 K29 T31 Y76 F77 F86F26-G28 VanDerWaalsContact C-N 3.29Å; F26-G28 PolarHBondContact O-N 3.29Å; F26-K29 PolarHBondContact N-O 2.87Å; F26-K29 WeakPolarHBondContact O-CB 3.49Å; F26-K29 PolarHBondContact O-N 3.38Å; F26-T31 HydrophobicContact CB-CG2 3.96Å; F26-T31 VanDerWaalsContact CB-OG1 3.28Å; F26-T31 WeakPolarHBondContact CB-OG1 3.11Å; F26-Y76 HydrophobicContact CD1-CD2 4.48Å; F26-F77 HydrophobicContact CE1-CB 3.86Å; F26-F77 HydrophobicContact CZ-CB 3.75Å; F26-F77 HydrophobicContact CZ-CD1 4.49Å; F26-F77 HydrophobicContact CZ-CG 4.14Å; F26-F86 HydrophobicContact CB-CD1 4.25Å; F26-F86 HydrophobicContact CD1-CD1 4.48Å; F26-F86 AromaticContact CD2-CD1 3.7Å; F26-F86 HydrophobicContact CD2-CD1 3.7Å; F26-F86 AromaticContact CD2-CE1 3.79Å; F26-F86 HydrophobicContact CD2-CE1 3.79Å; F26-F86 HydrophobicContact CE2-CD1 4.13Å; F26-F86 HydrophobicContact CE2-CE1 4.12Å; F26-F86 AromaticContact CG-CD1 3.9Å; F26-F86 HydrophobicContact CG-CD1 3.9Å; F26-F86 HydrophobicContact CG-CE1 4.42Å
27L94Very high94.2Very high154 Ų15453.4 Ų53.481%0.80628%0.283SS*.THydrogen-bonded Turntrans52.243.9-177.7-55.6176.9000113K29L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.47Å
28G93.3Very high94.4Very high54 Ų5452.4 Ų52.456%0.55727%0.27SS*.THydrogen-bonded Turntrans79.86.1-179.500000115.1E25 F26E25-G28 VanDerWaalsContact OE1-CA 3.31Å; E25-G28 WeakPolarHBondContact OE1-CA 3.22Å; F26-G28 VanDerWaalsContact C-N 3.29Å; F26-G28 PolarHBondContact O-N 3.29Å
29K94.9Very high94.7Very high112 Ų11250.7 Ų50.749%0.48726%0.261SS..EExtended strand (participates in β ladder)trans-116.2134.6-176.3-60.6-174.6179.7-176.80112.4E25 F26 L27 T31 Y76E25-K29 WeakPolarHBondContact CA-O 3.38Å; F26-K29 PolarHBondContact N-O 2.87Å; F26-K29 WeakPolarHBondContact O-CB 3.49Å; F26-K29 PolarHBondContact O-N 3.38Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.47Å; K29-T31 PolarHBondContact O-N 3.05Å; K29-T31 PolarHBondContact O-OG1 2.98Å; K29-Y76 HydrophobicContact CB-CE2 3.82Å; K29-Y76 HydrophobicContact CD-CE1 4.26Å; K29-Y76 HydrophobicContact CD-CE2 4.25Å
30P96Very high94.7Very high65 Ų6558.2 Ų58.242%0.42230%0.299SS..EExtended strand (participates in β ladder)trans-54.5124.5169.6-26.235.6000111.4E89 V91P30-E89 HydrophobicContact CB-CB 3.93Å; P30-E89 PolarHBondContact O-N 2.9Å; P30-E89 VanDerWaalsContact O-N 3.17Å; P30-V91 HydrophobicContact CB-CG1 4.36Å
31T97.2Very high94.5Very high0 Ų063 Ų630%032%0.318CS..EExtended strand (participates in β ladder)trans-139.8135.6-167.9-60.80000111.9T24 F26 K29 Y76 F86 L87T24-T31 HydrophobicContact CG2-CG2 4.32Å; T24-T31 PolarHBondContact N-O 3.32Å; T24-T31 PolarHBondContact O-N 2.86Å; T24-T31 VanDerWaalsContact O-O 3.14Å; F26-T31 HydrophobicContact CB-CG2 3.96Å; F26-T31 VanDerWaalsContact CB-OG1 3.28Å; F26-T31 WeakPolarHBondContact CB-OG1 3.11Å; K29-T31 PolarHBondContact O-N 3.05Å; K29-T31 PolarHBondContact O-OG1 2.98Å; T31-Y76 HydrophobicContact CG2-CD2 4.13Å; T31-Y76 WeakPolarHBondContact OG1-CD2 3.45Å; T31-Y76 WeakPolarHBondContact OG1-CE2 3.49Å; T31-F86 HydrophobicContact CG2-CB 3.93Å; T31-F86 HydrophobicContact CG2-CD1 3.99Å; T31-F86 HydrophobicContact CG2-CG 4.4Å; T31-L87 CarbonylContact C-O 3.41Å; T31-L87 WeakPolarHBondContact CA-O 3.44Å; T31-L87 WeakPolarHBondContact CG2-O 3.36Å
32I97.3Very high94.5Very high28 Ų2863.2 Ų63.214%0.14432%0.315CS..EExtended strand (participates in β ladder)trans-97.9122.3165.9-59.8-54.2000109.1I13 L21 Y22 R23 L87 E89I13-I32 HydrophobicContact CD1-CD1 3.5Å; I13-I32 VanDerWaalsContact CD1-CD1 3.5Å; L21-I32 HydrophobicContact CB-CG2 4.46Å; L21-I32 HydrophobicContact CD2-CG2 4.18Å; Y22-I32 CarbonylContact O-C 3.51Å; Y22-I32 VanDerWaalsContact O-CA 3.32Å; Y22-I32 WeakPolarHBondContact O-CA 3.21Å; R23-I32 HydrophobicContact CB-CD1 4.42Å; I32-L87 PolarHBondContact N-O 2.72Å; I32-L87 PolarHBondContact O-N 2.88Å; I32-E89 HydrophobicContact CD1-CB 4.17Å; I32-E89 HydrophobicContact CD1-CG 3.9Å; I32-E89 HydrophobicContact CG1-CB 3.92Å; I32-E89 HydrophobicContact CG1-CG 4.02Å
33I97.1Very high94.5Very high1 Ų167.5 Ų67.51%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-93.6120.3168.5-54.9169.9000108.5F6 L7 A10 L21 Y22 T24 C84 I85 F86F6-I33 HydrophobicContact CD2-CD1 4.01Å; F6-I33 HydrophobicContact CE2-CD1 4.46Å; L7-I33 HydrophobicContact CD2-CB 4.42Å; L7-I33 HydrophobicContact CD2-CD1 4.02Å; L7-I33 HydrophobicContact CD2-CG2 3.93Å; A10-I33 HydrophobicContact CB-CD1 4.49Å; L21-I33 CarbonylContact C-O 3.58Å; L21-I33 WeakPolarHBondContact CA-O 3.4Å; Y22-I33 PolarHBondContact N-O 2.91Å; Y22-I33 PolarHBondContact O-N 3.44Å; T24-I33 HydrophobicContact CG2-CD1 3.59Å; T24-I33 HydrophobicContact CG2-CG1 3.88Å; I33-C84 HydrophobicContact CG2-CB 3.98Å; I33-I85 WeakPolarHBondContact CA-O 3.49Å; I33-F86 HydrophobicContact CD1-CD1 4.12Å; I33-F86 HydrophobicContact CD1-CE1 3.52Å; I33-F86 HydrophobicContact CD1-CZ 3.81Å; I33-F86 HydrophobicContact CG1-CD1 3.73Å; I33-F86 HydrophobicContact CG1-CE1 3.66Å; I33-F86 HydrophobicContact CG1-CE2 4.47Å; I33-F86 HydrophobicContact CG1-CG 4.17Å; I33-F86 HydrophobicContact CG1-CZ 4.05Å; I33-F86 HydrophobicContact CG2-CD2 4.49Å; I33-F86 HydrophobicContact CG2-CE2 4.25Å; I33-F86 HydrophobicContact CG2-CZ 4.42Å
34K96.3Very high94.3Very high10 Ų1067.7 Ų67.74%0.04335%0.349CS..EExtended strand (participates in β ladder)trans-97.7102.6168.7-175.1172.2-173.9172.30109.4A19 L21 E58 C84 I85 D160A19-K34 HydrophobicContact CB-CG 3.92Å; L21-K34 HydrophobicContact CD2-CB 3.77Å; L21-K34 HydrophobicContact CD2-CD 4.21Å; L21-K34 HydrophobicContact CD2-CG 3.73Å; K34-E58 WeakPolarHBondContact CD-OE1 3.37Å; K34-E58 WeakPolarHBondContact CE-OE1 3.32Å; K34-E58 IonicContact NZ-OE1 2.91Å; K34-E58 PolarHBondContact NZ-OE1 2.87Å; K34-E58 IonicContact NZ-OE2 2.69Å; K34-C84 VanDerWaalsContact O-CA 3.32Å; K34-C84 WeakPolarHBondContact O-CA 3.24Å; K34-I85 PolarHBondContact N-O 3.4Å; K34-I85 PolarHBondContact O-N 3.45Å; K34-D160 VanDerWaalsContact NZ-CG 3.35Å; K34-D160 IonicContact NZ-OD1 3.48Å; K34-D160 PolarHBondContact NZ-OD1 2.94Å; K34-D160 IonicContact NZ-OD2 3.37Å
35E95.3Very high94.3Very high22 Ų2273.1 Ų73.110%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-91.2119.8175.2-178.6-161.3-141.500109.6L7 A19 R20 Y22 F37L7-E35 HydrophobicContact CD1-CB 4.38Å; L7-E35 HydrophobicContact CD1-CG 4.09Å; L7-E35 WeakPolarHBondContact CD1-OE1 3.28Å; A19-E35 CarbonylContact C-O 3.48Å; A19-E35 WeakPolarHBondContact CA-O 3.42Å; A19-E35 WeakPolarHBondContact CB-O 3.28Å; R20-E35 IonicContact CZ-OE2 3.85Å; R20-E35 PolarHBondContact N-O 3.01Å; R20-E35 IonicContact NH1-OE2 2.67Å; R20-E35 PolarHBondContact NH1-OE2 3.33Å; R20-E35 PolarHBondContact O-N 3.11Å; Y22-E35 HydrophobicContact CD2-CB 4.38Å; Y22-E35 HydrophobicContact CE2-CB 3.89Å; Y22-E35 PolarHBondContact OH-OE2 3.21Å; E35-F37 PolarHBondContact O-N 3.35Å
36R93.3Very high94.2Very high4 Ų470.8 Ų70.82%0.01536%0.364CS..  trans-88.998.5168.5-67.5-178.5173.8-79.80.9109.5A19 E58 H83 G162A19-R36 HydrophobicContact CB-CG 4.39Å; R36-E58 IonicContact CZ-OE2 3.29Å; R36-E58 IonicContact NE-OE2 3.71Å; R36-E58 IonicContact NH2-OE2 2.78Å; R36-E58 PolarHBondContact NH2-OE2 2.93Å; R36-H83 HydrophobicContact CB-CB 3.98Å; R36-H83 PolarHBondContact N-O 3.34Å; R36-G162 PolarHBondContact NH2-O 3.02Å
37F90.9Very high94.2Very high30 Ų3068.6 Ų68.613%0.13236%0.355CS..  trans-74.8147.1-178.662.5-91.1000112A17 R20 E35 K39A17-F37 WeakPolarHBondContact O-CZ 3.22Å; R20-F37 HydrophobicContact CG-CD1 4Å; R20-F37 HydrophobicContact CG-CE1 4.27Å; E35-F37 PolarHBondContact O-N 3.35Å; F37-K39 HydrophobicContact CE2-CD 4.25Å; F37-K39 VanDerWaalsContact CE2-NZ 3.3Å
38P90.7Very high94.1Very high59 Ų5965.1 Ų65.138%0.38334%0.337SS..  trans-67147.3-175.226.1-34.7000112.5M1 D47M1-P38 HydrophobicContact CE-CG 3.95Å; P38-D47 WeakPolarHBondContact CA-OD2 3.12Å; P38-D47 WeakPolarHBondContact CB-OD2 3.09Å
39K90.8Very high94.1Very high42 Ų4270 Ų7018%0.18334%0.343CS..  trans-96.7106.7175-67.1-51.2-165.5174.80110.8A17 F37 Y41 R42 D47A17-K39 WeakPolarHBondContact O-CE 3.46Å; A17-K39 PolarHBondContact O-NZ 3.37Å; F37-K39 HydrophobicContact CE2-CD 4.25Å; F37-K39 VanDerWaalsContact CE2-NZ 3.3Å; K39-Y41 HydrophobicContact CB-CD1 3.98Å; K39-Y41 HydrophobicContact CB-CE1 3.58Å; K39-Y41 HydrophobicContact CB-CE2 4.37Å; K39-Y41 HydrophobicContact CD-CE1 3.79Å; K39-Y41 HydrophobicContact CG-CE1 3.79Å; K39-Y41 PolarHBondContact O-N 3.08Å; K39-R42 HydrophobicContact CB-CG 4.01Å; K39-R42 PolarHBondContact O-N 3.47Å; K39-D47 PolarHBondContact N-OD2 2.96Å
40L91Very high94Very high170 Ų17066.8 Ų66.889%0.8933%0.33SS*.THydrogen-bonded Turntrans-60.3-18-176.4-59.6-179.5000114.7R42L40-R42 VanDerWaalsContact C-N 3.34Å
41Y92.6Very high93.9Very high168 Ų16864 Ų6466%0.65931%0.312SS*.THydrogen-bonded Turntrans-82.3-9.4175.864.8-100.9000113.7K39K39-Y41 HydrophobicContact CB-CD1 3.98Å; K39-Y41 HydrophobicContact CB-CE1 3.58Å; K39-Y41 HydrophobicContact CB-CE2 4.37Å; K39-Y41 HydrophobicContact CD-CE1 3.79Å; K39-Y41 HydrophobicContact CG-CE1 3.79Å; K39-Y41 PolarHBondContact O-N 3.08Å
42R94.4Very high93.6Very high59 Ų5965.7 Ų65.722%0.22332%0.324CS..SBendtrans-100.1150.9178.6-58.5-170.6-164.2136.3-7.7110.1K39 L40 D47K39-R42 HydrophobicContact CB-CG 4.01Å; K39-R42 PolarHBondContact O-N 3.47Å; L40-R42 VanDerWaalsContact C-N 3.34Å; R42-D47 HydrophobicContact CB-CB 3.97Å; R42-D47 WeakPolarHBondContact CD-OD1 3.34Å; R42-D47 IonicContact CZ-OD1 3.87Å; R42-D47 IonicContact NE-OD1 3.24Å; R42-D47 IonicContact NH1-OD1 3.86Å; R42-D47 PolarHBondContact NH1-OD1 2.92Å
43H96.4Very high93.4Very high115 Ų11571.3 Ų71.353%0.53234%0.343SS..  trans-58.7133.6169.8-171.2-93.8000109.8E45 L46 D47H43-E45 VanDerWaalsContact C-N 3.33Å; H43-E45 IonicContact CE1-OE2 3.03Å; H43-E45 PolarHBondContact ND1-N 3.48Å; H43-E45 PolarHBondContact O-N 2.84Å; H43-L46 HydrophobicContact CB-CB 4.17Å; H43-L46 WeakPolarHBondContact O-CB 3.42Å; H43-L46 PolarHBondContact O-N 2.96Å; H43-D47 PolarHBondContact O-N 2.99Å
44P93.9Very high93.2Very high100 Ų10073.1 Ų73.165%0.64935%0.35SS*.Hα-helixtrans-53.1-44.8-172.8-29.735.7000114.3L46 D47 D48P44-L46 VanDerWaalsContact C-N 3.33Å; P44-L46 PolarHBondContact O-N 2.84Å; P44-D47 PolarHBondContact O-N 2.97Å; P44-D48 WeakPolarHBondContact O-CB 3.21Å; P44-D48 PolarHBondContact O-N 3.19Å
45E94.4Very high93.1Very high150 Ų15072.7 Ų72.770%0.70135%0.348SS*.Hα-helixtrans-65.4-36.1178.5-61.8178.1176.400112.8H43 K49H43-E45 VanDerWaalsContact C-N 3.33Å; H43-E45 IonicContact CE1-OE2 3.03Å; H43-E45 PolarHBondContact ND1-N 3.48Å; H43-E45 PolarHBondContact O-N 2.84Å; E45-K49 VanDerWaalsContact O-CB 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.42Å; E45-K49 PolarHBondContact O-N 2.94Å
46L94.3Very high93Very high91 Ų9172.7 Ų72.748%0.47635%0.352SS..Hα-helixtrans-70.4-43.3177.3178.865.2000110.3H43 P44 K49 L50H43-L46 HydrophobicContact CB-CB 4.17Å; H43-L46 WeakPolarHBondContact O-CB 3.42Å; H43-L46 PolarHBondContact O-N 2.96Å; P44-L46 VanDerWaalsContact C-N 3.33Å; P44-L46 PolarHBondContact O-N 2.84Å; L46-K49 PolarHBondContact O-N 3.43Å; L46-L50 HydrophobicContact CD1-CD1 4.28Å; L46-L50 HydrophobicContact CD1-CG 4.31Å; L46-L50 HydrophobicContact CG-CD1 4.01Å; L46-L50 HydrophobicContact CG-CG 4.44Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.34Å; L46-L50 PolarHBondContact O-N 3.39Å
47D93.5Very high93Very high7 Ų775.5 Ų75.54%0.03737%0.365CS..Hα-helixtrans-62.7-45.2178.5-163.560.1000111.2P38 K39 R42 H43 P44 K49 L50 N51P38-D47 WeakPolarHBondContact CA-OD2 3.12Å; P38-D47 WeakPolarHBondContact CB-OD2 3.09Å; K39-D47 PolarHBondContact N-OD2 2.96Å; R42-D47 HydrophobicContact CB-CB 3.97Å; R42-D47 WeakPolarHBondContact CD-OD1 3.34Å; R42-D47 IonicContact CZ-OD1 3.87Å; R42-D47 IonicContact NE-OD1 3.24Å; R42-D47 IonicContact NH1-OD1 3.86Å; R42-D47 PolarHBondContact NH1-OD1 2.92Å; H43-D47 PolarHBondContact O-N 2.99Å; P44-D47 PolarHBondContact O-N 2.97Å; D47-K49 PolarHBondContact O-N 2.85Å; D47-L50 PolarHBondContact O-N 3.01Å; D47-N51 WeakPolarHBondContact O-CB 3.45Å; D47-N51 VanDerWaalsContact O-CG 3.29Å; D47-N51 PolarHBondContact O-N 2.59Å; D47-N51 PolarHBondContact O-ND2 3.24Å; D47-N51 PolarHBondContact OD2-ND2 2.85Å; D47-N51 VanDerWaalsContact OD2-ND2 3.11Å
48D92.9Very high93.2Very high81 Ų8174.1 Ų74.143%0.43336%0.359SS..Hα-helixtrans-61.5-44.8177.4-171.468.1000112.2P44 L50 N51 S52 H83P44-D48 WeakPolarHBondContact O-CB 3.21Å; P44-D48 PolarHBondContact O-N 3.19Å; D48-L50 PolarHBondContact O-N 2.97Å; D48-N51 PolarHBondContact O-N 2.78Å; D48-S52 VanDerWaalsContact O-CB 3.28Å; D48-S52 WeakPolarHBondContact O-CB 3.46Å; D48-S52 PolarHBondContact O-N 3.25Å; D48-S52 PolarHBondContact O-OG 3.46Å; D48-H83 IonicContact OD1-CE1 2.75Å; D48-H83 PolarHBondContact OD1-CE1 3.46Å; D48-H83 VanDerWaalsContact OD1-CE1 3.29Å; D48-H83 IonicContact OD1-NE2 3.83Å; D48-H83 PolarHBondContact OD1-NE2 3.2Å
49K93.6Very high93.5Very high156 Ų15672.1 Ų72.168%0.67835%0.346SS*.Hα-helixtrans-62.3-41.7175.4-172.6176.1-175.2174.80112.1E45 L46 D47 R53E45-K49 VanDerWaalsContact O-CB 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.42Å; E45-K49 PolarHBondContact O-N 2.94Å; L46-K49 PolarHBondContact O-N 3.43Å; D47-K49 PolarHBondContact O-N 2.85Å; K49-R53 WeakPolarHBondContact O-CB 3.39Å; K49-R53 PolarHBondContact O-N 3.31Å; K49-R53 VanDerWaalsContact O-N 3.08Å
50L92.7Very high93.7Very high44 Ų4477.4 Ų77.423%0.2337%0.365CS..Hα-helixtrans-66.2-47.9177.8-74.4172.9000111.3L46 D47 D48 R53 R54L46-L50 HydrophobicContact CD1-CD1 4.28Å; L46-L50 HydrophobicContact CD1-CG 4.31Å; L46-L50 HydrophobicContact CG-CD1 4.01Å; L46-L50 HydrophobicContact CG-CG 4.44Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.34Å; L46-L50 PolarHBondContact O-N 3.39Å; D47-L50 PolarHBondContact O-N 3.01Å; D48-L50 PolarHBondContact O-N 2.97Å; L50-R53 PolarHBondContact O-N 3.05Å; L50-R54 WeakPolarHBondContact O-CB 3.35Å; L50-R54 VanDerWaalsContact O-CG 3.22Å; L50-R54 WeakPolarHBondContact O-CG 3.31Å; L50-R54 PolarHBondContact O-N 3.09Å
51N92.8Very high94Very high6 Ų669.4 Ų69.43%0.03232%0.323CS..Hα-helixtrans-63-45.8179.6-69.6-28.1000110.9D47 D48 R53 R54 T55 H83D47-N51 WeakPolarHBondContact O-CB 3.45Å; D47-N51 VanDerWaalsContact O-CG 3.29Å; D47-N51 PolarHBondContact O-N 2.59Å; D47-N51 PolarHBondContact O-ND2 3.24Å; D47-N51 PolarHBondContact OD2-ND2 2.85Å; D47-N51 VanDerWaalsContact OD2-ND2 3.11Å; D48-N51 PolarHBondContact O-N 2.78Å; N51-R53 PolarHBondContact O-N 2.92Å; N51-R54 PolarHBondContact O-N 3.03Å; N51-T55 WeakPolarHBondContact O-CB 3.43Å; N51-T55 PolarHBondContact O-N 3.15Å; N51-T55 PolarHBondContact O-OG1 2.83Å; N51-H83 HydrophobicContact CB-CB 4.22Å
52S92.4Very high94.2Very high36 Ų3661.5 Ų61.525%0.25229%0.292SS..Hα-helixtrans-54.7-49.1174.8-65.80000112.2D48 R54 T55 A56 H83D48-S52 VanDerWaalsContact O-CB 3.28Å; D48-S52 WeakPolarHBondContact O-CB 3.46Å; D48-S52 PolarHBondContact O-N 3.25Å; D48-S52 PolarHBondContact O-OG 3.46Å; S52-R54 PolarHBondContact O-N 3.47Å; S52-T55 PolarHBondContact O-N 3.43Å; S52-A56 WeakPolarHBondContact O-CB 3.28Å; S52-A56 PolarHBondContact O-N 2.82Å; S52-H83 PolarHBondContact OG-CE1 3.04Å
53R92.3Very high94.3Very high146 Ų14662.4 Ų62.455%0.55130%0.301SS*.Hα-helixtrans-62.3-43.7179.4-173.4177.771.3-179.22.8111.5K49 L50 N51 A56 H57K49-R53 WeakPolarHBondContact O-CB 3.39Å; K49-R53 PolarHBondContact O-N 3.31Å; K49-R53 VanDerWaalsContact O-N 3.08Å; L50-R53 PolarHBondContact O-N 3.05Å; N51-R53 PolarHBondContact O-N 2.92Å; R53-A56 PolarHBondContact O-N 3.21Å; R53-H57 WeakPolarHBondContact O-CB 3.28Å; R53-H57 PolarHBondContact O-CD2 2.69Å; R53-H57 VanDerWaalsContact O-CG 3.29Å; R53-H57 PolarHBondContact O-N 2.83Å
54R92.3Very high94.4Very high40 Ų4061.2 Ų61.215%0.15129%0.292CS..Hα-helixtrans-67.2-43.8-179.5-70.4179.972174.84.5112E18 L50 N51 S52 A56 H57 E58 G162E18-R54 VanDerWaalsContact CD-NH1 3.33Å; E18-R54 IonicContact OE1-CZ 3.9Å; E18-R54 IonicContact OE1-NH1 2.69Å; E18-R54 PolarHBondContact OE1-NH1 3.45Å; E18-R54 IonicContact OE1-NH2 3.01Å; E18-R54 PolarHBondContact OE1-NH2 3.42Å; E18-R54 IonicContact OE2-CZ 3.99Å; E18-R54 IonicContact OE2-NH1 3.52Å; E18-R54 IonicContact OE2-NH2 3.52Å; E18-R54 PolarHBondContact OE2-NH2 3.46Å; L50-R54 WeakPolarHBondContact O-CB 3.35Å; L50-R54 VanDerWaalsContact O-CG 3.22Å; L50-R54 WeakPolarHBondContact O-CG 3.31Å; L50-R54 PolarHBondContact O-N 3.09Å; N51-R54 PolarHBondContact O-N 3.03Å; S52-R54 PolarHBondContact O-N 3.47Å; R54-A56 VanDerWaalsContact C-N 3.33Å; R54-A56 PolarHBondContact O-N 2.83Å; R54-H57 PolarHBondContact O-N 2.92Å; R54-E58 WeakPolarHBondContact O-CB 3.44Å; R54-E58 PolarHBondContact O-N 2.97Å; R54-G162 PolarHBondContact NH2-O 2.92Å; R54-G162 VanDerWaalsContact NH2-O 3.14Å
55T94.1Very high94.5Very high0 Ų056.4 Ų56.40%026%0.261CS..Hα-helixtrans-56.8-47.8173.5-61.60000110.8N51 S52 H57 E58 V59 V78 Y80 I85N51-T55 WeakPolarHBondContact O-CB 3.43Å; N51-T55 PolarHBondContact O-N 3.15Å; N51-T55 PolarHBondContact O-OG1 2.83Å; S52-T55 PolarHBondContact O-N 3.43Å; T55-H57 PolarHBondContact O-N 3.28Å; T55-E58 PolarHBondContact O-N 3.07Å; T55-V59 VanDerWaalsContact O-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.33Å; T55-V59 PolarHBondContact O-N 3.45Å; T55-V78 HydrophobicContact CG2-CG1 3.65Å; T55-Y80 HydrophobicContact CG2-CD1 4.33Å; T55-Y80 HydrophobicContact CG2-CE1 4.07Å; T55-I85 HydrophobicContact CG2-CD1 4.06Å; T55-I85 HydrophobicContact CG2-CG1 3.81Å
56A93.3Very high94.6Very high23 Ų2354.9 Ų54.919%0.1925%0.248CC..Hα-helixtrans-64.2-38.2177.400000112.8S52 R53 R54 R60S52-A56 WeakPolarHBondContact O-CB 3.28Å; S52-A56 PolarHBondContact O-N 2.82Å; R53-A56 PolarHBondContact O-N 3.21Å; R54-A56 VanDerWaalsContact C-N 3.33Å; R54-A56 PolarHBondContact O-N 2.83Å; A56-R60 WeakPolarHBondContact O-CB 3.5Å; A56-R60 VanDerWaalsContact O-CG 3.23Å; A56-R60 WeakPolarHBondContact O-CG 3.23Å; A56-R60 PolarHBondContact O-N 2.9Å; A56-R60 VanDerWaalsContact O-N 3.08Å; A56-R60 PolarHBondContact O-NE 2.76Å
57H92.9Very high94.8Very high62 Ų6259.3 Ų59.329%0.28726%0.264SS..Hα-helixtrans-64.8-49.8177-78.1-152000111.4R53 R54 T55 V59 R60 S61R53-H57 WeakPolarHBondContact O-CB 3.28Å; R53-H57 PolarHBondContact O-CD2 2.69Å; R53-H57 VanDerWaalsContact O-CG 3.29Å; R53-H57 PolarHBondContact O-N 2.83Å; R54-H57 PolarHBondContact O-N 2.92Å; T55-H57 PolarHBondContact O-N 3.28Å; H57-V59 PolarHBondContact O-N 2.85Å; H57-R60 PolarHBondContact CD2-NH2 3.36Å; H57-R60 PolarHBondContact NE2-NH2 2.85Å; H57-R60 VanDerWaalsContact NE2-NH2 3.15Å; H57-R60 PolarHBondContact O-N 3.18Å; H57-S61 PolarHBondContact O-N 3.27Å; H57-S61 PolarHBondContact O-OG 3.41Å; H57-S61 VanDerWaalsContact O-OG 3.12Å
58E95.6Very high94.9Very high2 Ų260.7 Ų60.71%0.00928%0.276CS..Hα-helixtrans-57.4-49.7179.5179.4164.5-167.400111.8K34 R36 R54 T55 R60 S61 I62 I85 F161K34-E58 WeakPolarHBondContact CD-OE1 3.37Å; K34-E58 WeakPolarHBondContact CE-OE1 3.32Å; K34-E58 IonicContact NZ-OE1 2.91Å; K34-E58 PolarHBondContact NZ-OE1 2.87Å; K34-E58 IonicContact NZ-OE2 2.69Å; R36-E58 IonicContact CZ-OE2 3.29Å; R36-E58 IonicContact NE-OE2 3.71Å; R36-E58 IonicContact NH2-OE2 2.78Å; R36-E58 PolarHBondContact NH2-OE2 2.93Å; R54-E58 WeakPolarHBondContact O-CB 3.44Å; R54-E58 PolarHBondContact O-N 2.97Å; T55-E58 PolarHBondContact O-N 3.07Å; E58-R60 PolarHBondContact O-N 2.63Å; E58-S61 PolarHBondContact O-N 3.42Å; E58-I62 HydrophobicContact CG-CD1 4.04Å; E58-I62 VanDerWaalsContact O-CG1 3.32Å; E58-I62 WeakPolarHBondContact O-CG1 3.42Å; E58-I62 PolarHBondContact O-N 2.84Å; E58-I85 HydrophobicContact CB-CD1 4.15Å; E58-I85 HydrophobicContact CG-CD1 3.89Å; E58-F161 HydrophobicContact CG-CB 4Å
59V96.6Very high95Very high17 Ų1759.8 Ų59.810%0.10329%0.286CS..Hα-helixtrans-61.5-43.3178.2172.70000111.4T55 H57 I62 L63 V75 V78 I85T55-V59 VanDerWaalsContact O-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.33Å; T55-V59 PolarHBondContact O-N 3.45Å; H57-V59 PolarHBondContact O-N 2.85Å; V59-I62 PolarHBondContact O-N 2.79Å; V59-L63 HydrophobicContact CG1-CD1 4.07Å; V59-L63 WeakPolarHBondContact O-CD1 3.43Å; V59-L63 PolarHBondContact O-N 2.9Å; V59-V75 HydrophobicContact CG1-CG1 4.35Å; V59-V75 HydrophobicContact CG1-CG2 4.45Å; V59-V75 HydrophobicContact CG2-CG1 4.49Å; V59-V78 HydrophobicContact CG1-CG2 4.19Å; V59-V78 HydrophobicContact CG2-CG1 4.38Å; V59-V78 HydrophobicContact CG2-CG2 3.66Å; V59-I85 HydrophobicContact CG2-CD1 3.95Å; V59-I85 HydrophobicContact CG2-CG1 4.18Å; V59-I85 HydrophobicContact CG2-CG2 4.09Å
60R96Very high95.1Very high153 Ų15352.5 Ų52.558%0.57725%0.254SS*.Hα-helixtrans-64.3-41.1179-76.9-171.2-59.8-158.97.1112.3A56 H57 E58 L63 R64A56-R60 WeakPolarHBondContact O-CB 3.5Å; A56-R60 VanDerWaalsContact O-CG 3.23Å; A56-R60 WeakPolarHBondContact O-CG 3.23Å; A56-R60 PolarHBondContact O-N 2.9Å; A56-R60 VanDerWaalsContact O-N 3.08Å; A56-R60 PolarHBondContact O-NE 2.76Å; H57-R60 PolarHBondContact CD2-NH2 3.36Å; H57-R60 PolarHBondContact NE2-NH2 2.85Å; H57-R60 VanDerWaalsContact NE2-NH2 3.15Å; H57-R60 PolarHBondContact O-N 3.18Å; E58-R60 PolarHBondContact O-N 2.63Å; R60-L63 PolarHBondContact O-N 2.73Å; R60-R64 WeakPolarHBondContact O-CB 3.16Å; R60-R64 PolarHBondContact O-N 2.84Å
61S96.9Very high95.2Very high1 Ų151.6 Ų51.61%0.00725%0.251CS..Hα-helixtrans-64.7-45.4177.4-61.40000111.5H57 E58 L63 R64 C65 S164H57-S61 PolarHBondContact O-N 3.27Å; H57-S61 PolarHBondContact O-OG 3.41Å; H57-S61 VanDerWaalsContact O-OG 3.12Å; E58-S61 PolarHBondContact O-N 3.42Å; S61-L63 PolarHBondContact O-N 2.94Å; S61-R64 PolarHBondContact O-N 3.48Å; S61-C65 PolarHBondContact O-N 3.44Å; S61-C65 PolarHBondContact O-SG 2.87Å; S61-C65 VanDerWaalsContact O-SG 3.4Å; S61-S164 WeakPolarHBondContact CB-OG 3.3Å; S61-S164 WeakPolarHBondContact OG-CB 3.34Å; S61-S164 PolarHBondContact OG-OG 3.32Å
62I97.5Very high95.3Very high3 Ų351.4 Ų51.42%0.01525%0.251CS..Hα-helixtrans-57.9-49.9175.8-68.4166.5000110.7E58 V59 R64 C65 R66 A72 P73 V75 L87 F161E58-I62 HydrophobicContact CG-CD1 4.04Å; E58-I62 VanDerWaalsContact O-CG1 3.32Å; E58-I62 WeakPolarHBondContact O-CG1 3.42Å; E58-I62 PolarHBondContact O-N 2.84Å; V59-I62 PolarHBondContact O-N 2.79Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.43Å; I62-C65 PolarHBondContact O-N 2.83Å; I62-R66 WeakPolarHBondContact O-CG 3.38Å; I62-R66 PolarHBondContact O-N 3.45Å; I62-A72 HydrophobicContact CG2-CB 4.32Å; I62-P73 WeakPolarHBondContact CG2-O 3.35Å; I62-V75 HydrophobicContact CB-CG2 4.24Å; I62-V75 HydrophobicContact CD1-CG2 4.35Å; I62-V75 HydrophobicContact CG2-CG2 3.73Å; I62-L87 HydrophobicContact CD1-CD2 3.91Å; I62-F161 HydrophobicContact CD1-CD2 4.33Å; I62-F161 HydrophobicContact CG1-CB 4.03Å; I62-F161 HydrophobicContact CG1-CD2 3.5Å; I62-F161 VanDerWaalsContact CG1-CD2 3.5Å; I62-F161 HydrophobicContact CG1-CE2 4.19Å; I62-F161 HydrophobicContact CG1-CG 3.92Å
63L96.9Very high95.6Very high78 Ų7850.1 Ų50.141%0.40824%0.241SC..Hα-helixtrans-61.2-38.5179.2-9968.7000112.2V59 R60 S61 K67 V75V59-L63 HydrophobicContact CG1-CD1 4.07Å; V59-L63 WeakPolarHBondContact O-CD1 3.43Å; V59-L63 PolarHBondContact O-N 2.9Å; R60-L63 PolarHBondContact O-N 2.73Å; S61-L63 PolarHBondContact O-N 2.94Å; L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 2.96Å; L63-V75 HydrophobicContact CD1-CB 4.13Å; L63-V75 HydrophobicContact CD1-CG2 3.75Å
64R97.3Very high95.8Very high89 Ų8944 Ų4434%0.33622%0.222SC..Hα-helixtrans-66.7-46.4178.5-173.2167.8-177.3145.65.6111.6R60 S61 I62 R66 K67 A68 E131 V133R60-R64 WeakPolarHBondContact O-CB 3.16Å; R60-R64 PolarHBondContact O-N 2.84Å; S61-R64 PolarHBondContact O-N 3.48Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.43Å; R64-R66 PolarHBondContact O-N 3.23Å; R64-K67 PolarHBondContact O-N 3.02Å; R64-A68 PolarHBondContact O-N 3.12Å; R64-A68 VanDerWaalsContact O-N 3.13Å; R64-E131 PolarHBondContact NE-O 3.08Å; R64-E131 PolarHBondContact NH2-O 2.99Å; R64-V133 HydrophobicContact CB-CG2 4.17Å; R64-V133 HydrophobicContact CG-CG2 3.84Å
65C97.1Very high96Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-54.7-51.6173.5-730000111.1S61 I62 K67 A68 G69 I70 A72 F161S61-C65 PolarHBondContact O-N 3.44Å; S61-C65 PolarHBondContact O-SG 2.87Å; S61-C65 VanDerWaalsContact O-SG 3.4Å; I62-C65 PolarHBondContact O-N 2.83Å; C65-K67 PolarHBondContact O-N 2.91Å; C65-A68 CarbonylContact O-C 3.52Å; C65-A68 WeakPolarHBondContact O-CA 3.32Å; C65-A68 PolarHBondContact O-N 3.36Å; C65-G69 PolarHBondContact O-N 2.9Å; C65-I70 CarbonylContact C-O 3.55Å; C65-I70 HydrophobicContact CB-CB 3.94Å; C65-I70 HydrophobicContact CB-CD1 4.48Å; C65-I70 HydrophobicContact CB-CG2 4.04Å; C65-I70 WeakPolarHBondContact O-CB 3.41Å; C65-I70 PolarHBondContact O-N 3.14Å; C65-A72 HydrophobicContact CB-CB 4.28Å; C65-F161 HydrophobicContact CB-CZ 4.49Å
66R96.6Very high96.2Very high117 Ų11747 Ų4744%0.44224%0.238SC..Hα-helixtrans-60.8-41.7-179.9-70.9-174.96388.92.9113I62 R64 A68 G69 A72 E88I62-R66 WeakPolarHBondContact O-CG 3.38Å; I62-R66 PolarHBondContact O-N 3.45Å; R64-R66 PolarHBondContact O-N 3.23Å; R66-A68 PolarHBondContact O-N 3.17Å; R66-G69 PolarHBondContact O-N 3.22Å; R66-A72 WeakPolarHBondContact CD-O 3.39Å; R66-A72 HydrophobicContact CG-CB 4.15Å; R66-A72 PolarHBondContact NH1-O 3.16Å; R66-E88 IonicContact NH1-OE2 3.18Å
67K96.6Very high96.3Very high185 Ų18550.3 Ų50.380%0.80425%0.248SC*.Hα-helixtrans-61.6-30.4176.1-79.1-179.3178.3-173.40112.8L63 R64 C65 G69L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 2.96Å; R64-K67 PolarHBondContact O-N 3.02Å; C65-K67 PolarHBondContact O-N 2.91Å; K67-G69 VanDerWaalsContact C-N 3.28Å
68A95.9Very high96.5Very high36 Ų3648.7 Ų48.730%0.29824%0.243SC..THydrogen-bonded Turntrans-86.56.5175.900000113.9R64 C65 R66 I70 E131R64-A68 PolarHBondContact O-N 3.12Å; R64-A68 VanDerWaalsContact O-N 3.13Å; C65-A68 CarbonylContact O-C 3.52Å; C65-A68 WeakPolarHBondContact O-CA 3.32Å; C65-A68 PolarHBondContact O-N 3.36Å; R66-A68 PolarHBondContact O-N 3.17Å; A68-I70 VanDerWaalsContact C-N 3.27Å; A68-I70 HydrophobicContact CB-CD1 4.12Å; A68-I70 HydrophobicContact CB-CG1 4.46Å; A68-I70 PolarHBondContact O-N 2.82Å; A68-E131 HydrophobicContact CB-CG 3.56Å
69G95.1Very high96.4Very high62 Ų6249.9 Ų49.964%0.63925%0.249SC*.THydrogen-bonded Turntrans72.917.3-177.600000114.1C65 R66 K67C65-G69 PolarHBondContact O-N 2.9Å; R66-G69 PolarHBondContact O-N 3.22Å; K67-G69 VanDerWaalsContact C-N 3.28Å
70I95.8Very high96.1Very high2 Ų254.9 Ų54.91%0.0127%0.267CS..  trans-84.7122.7172.7-63.1157.6000108C65 A68 A72 I124 K127 M128C65-I70 CarbonylContact C-O 3.55Å; C65-I70 HydrophobicContact CB-CB 3.94Å; C65-I70 HydrophobicContact CB-CD1 4.48Å; C65-I70 HydrophobicContact CB-CG2 4.04Å; C65-I70 WeakPolarHBondContact O-CB 3.41Å; C65-I70 PolarHBondContact O-N 3.14Å; A68-I70 VanDerWaalsContact C-N 3.27Å; A68-I70 HydrophobicContact CB-CD1 4.12Å; A68-I70 HydrophobicContact CB-CG1 4.46Å; A68-I70 PolarHBondContact O-N 2.82Å; I70-A72 PolarHBondContact O-N 3.09Å; I70-I124 HydrophobicContact CG2-CG2 3.69Å; I70-K127 HydrophobicContact CD1-CB 4.24Å; I70-K127 HydrophobicContact CG1-CB 4.21Å; I70-M128 VanDerWaalsContact CD1-CA 3.44Å; I70-M128 HydrophobicContact CD1-CB 3.9Å; I70-M128 HydrophobicContact CD1-CG 4.42Å; I70-M128 HydrophobicContact CG2-CE 4.21Å
71P94.6Very high95.8Very high26 Ų2655 Ų5517%0.16927%0.272CS..  trans-65.6120.6-178.9-19.631.7000111.5E155 L156 V157 F158P71-E155 HydrophobicContact CB-CG 4.38Å; P71-E155 WeakPolarHBondContact CB-OE1 3.28Å; P71-E155 HydrophobicContact CG-CG 4.23Å; P71-E155 WeakPolarHBondContact CG-OE1 3.37Å; P71-L156 WeakPolarHBondContact CB-O 3.29Å; P71-L156 WeakPolarHBondContact CG-O 3.45Å; P71-V157 HydrophobicContact CB-CB 4.49Å; P71-V157 HydrophobicContact CB-CG2 4.06Å; P71-F158 PolarHBondContact O-N 3.41Å
72A96.3Very high95.5Very high2 Ų258.8 Ų58.82%0.01729%0.286CS..  trans-150.5154175.300000108.5I62 C65 R66 I70 F161I62-A72 HydrophobicContact CG2-CB 4.32Å; C65-A72 HydrophobicContact CB-CB 4.28Å; R66-A72 WeakPolarHBondContact CD-O 3.39Å; R66-A72 HydrophobicContact CG-CB 4.15Å; R66-A72 PolarHBondContact NH1-O 3.16Å; I70-A72 PolarHBondContact O-N 3.09Å; A72-F161 HydrophobicContact CB-CE2 4.04Å; A72-F161 HydrophobicContact CB-CZ 4.47Å
73P96.8Very high95.3Very high8 Ų859.3 Ų59.35%0.05229%0.289CS..  trans-56139.9-177.3-25.533.1000113I62 L87 E88 I90 V157 F158 I159I62-P73 WeakPolarHBondContact CG2-O 3.35Å; P73-L87 HydrophobicContact CB-CB 4.25Å; P73-E88 HydrophobicContact CB-CB 4.23Å; P73-I90 HydrophobicContact CB-CD1 4.43Å; P73-I90 HydrophobicContact CG-CD1 4.33Å; P73-I90 HydrophobicContact CG-CG1 4.24Å; P73-V157 HydrophobicContact CG-CG1 4.49Å; P73-F158 WeakPolarHBondContact CD-O 3.47Å; P73-I159 HydrophobicContact CG-CG2 3.82Å
74A96.7Very high95.3Very high18 Ų1855.6 Ų55.615%0.14927%0.269CS..  trans-64.8138.4169.300000110.7Y76 L87 E88A74-Y76 HydrophobicContact CB-CD1 4.25Å; A74-Y76 HydrophobicContact CB-CE1 3.81Å; A74-L87 CarbonylContact O-C 3.51Å; A74-L87 WeakPolarHBondContact O-CA 3.32Å; A74-E88 HydrophobicContact CB-CB 4.03Å; A74-E88 WeakPolarHBondContact CB-OE2 3.39Å; A74-E88 PolarHBondContact N-OE2 3.06Å; A74-E88 PolarHBondContact O-N 2.69Å
75V97.8Very high95.3Very high37 Ų3751.4 Ų51.422%0.22425%0.253CS..EExtended strand (participates in β ladder)trans-88.8115172.5-176.10000108V59 I62 L63 V78 I85 L87V59-V75 HydrophobicContact CG1-CG1 4.35Å; V59-V75 HydrophobicContact CG1-CG2 4.45Å; V59-V75 HydrophobicContact CG2-CG1 4.49Å; I62-V75 HydrophobicContact CB-CG2 4.24Å; I62-V75 HydrophobicContact CD1-CG2 4.35Å; I62-V75 HydrophobicContact CG2-CG2 3.73Å; L63-V75 HydrophobicContact CD1-CB 4.13Å; L63-V75 HydrophobicContact CD1-CG2 3.75Å; V75-V78 HydrophobicContact CG1-CG2 3.72Å; V75-I85 HydrophobicContact CG1-CG2 4.12Å; V75-L87 HydrophobicContact CB-CD2 4.45Å; V75-L87 HydrophobicContact CG2-CD2 3.84Å
76Y97.3Very high95.3Very high66 Ų6651.8 Ų51.826%0.25926%0.255SS..EExtended strand (participates in β ladder)trans-86.5-41.4179.4-63.9-21.1000112.3F26 K29 T31 A74 F86 E88F26-Y76 HydrophobicContact CD1-CD2 4.48Å; K29-Y76 HydrophobicContact CB-CE2 3.82Å; K29-Y76 HydrophobicContact CD-CE1 4.26Å; K29-Y76 HydrophobicContact CD-CE2 4.25Å; T31-Y76 HydrophobicContact CG2-CD2 4.13Å; T31-Y76 WeakPolarHBondContact OG1-CD2 3.45Å; T31-Y76 WeakPolarHBondContact OG1-CE2 3.49Å; A74-Y76 HydrophobicContact CB-CD1 4.25Å; A74-Y76 HydrophobicContact CB-CE1 3.81Å; Y76-F86 PolarHBondContact N-O 2.63Å; Y76-E88 HydrophobicContact CE1-CB 4.15Å; Y76-E88 HydrophobicContact CE2-CB 4.32Å
77F96.9Very high95.4Very high93 Ų9347.1 Ų47.141%0.40824%0.239SC..EExtended strand (participates in β ladder)trans-158.1153.1-177.9-179.5-114.4000111.2F26 D79 F86F26-F77 HydrophobicContact CE1-CB 3.86Å; F26-F77 HydrophobicContact CZ-CB 3.75Å; F26-F77 HydrophobicContact CZ-CD1 4.49Å; F26-F77 HydrophobicContact CZ-CG 4.14Å; F77-D79 HydrophobicContact CD1-CB 4.49Å; F77-D79 HydrophobicContact CE1-CB 3.78Å; F77-D79 HydrophobicContact CZ-CB 4.43Å; F77-F86 HydrophobicContact CB-CB 3.95Å; F77-F86 HydrophobicContact CB-CD2 4.18Å; F77-F86 HydrophobicContact CB-CG 4.08Å; F77-F86 AromaticContact CD1-CD2 3.68Å; F77-F86 HydrophobicContact CD1-CD2 3.68Å; F77-F86 AromaticContact CD1-CE2 3.75Å; F77-F86 HydrophobicContact CD1-CE2 3.75Å; F77-F86 HydrophobicContact CD1-CG 4.27Å; F77-F86 HydrophobicContact CD1-CZ 4.36Å; F77-F86 HydrophobicContact CE1-CE2 4.35Å; F77-F86 HydrophobicContact CG-CD2 4.42Å; F77-F86 PolarHBondContact N-O 3.46Å; F77-F86 PolarHBondContact O-N 2.99Å
78V96.4Very high95.4Very high28 Ų2841.2 Ų41.217%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-131.8120.5176.4-1740000108.4T55 V59 V75 Y80T55-V78 HydrophobicContact CG2-CG1 3.65Å; V59-V78 HydrophobicContact CG1-CG2 4.19Å; V59-V78 HydrophobicContact CG2-CG1 4.38Å; V59-V78 HydrophobicContact CG2-CG2 3.66Å; V75-V78 HydrophobicContact CG1-CG2 3.72Å; V78-Y80 HydrophobicContact CB-CE2 4.35Å; V78-Y80 HydrophobicContact CG1-CD1 4.4Å; V78-Y80 HydrophobicContact CG1-CD2 4.27Å; V78-Y80 HydrophobicContact CG1-CE1 4Å; V78-Y80 HydrophobicContact CG1-CE2 3.85Å
79D94.1Very high95.4Very high26 Ų2641 Ų4114%0.13921%0.207CC..EExtended strand (participates in β ladder)trans-104.9103.4175.4-168.1-33000109.5F77 K81 Y82 H83 C84F77-D79 HydrophobicContact CD1-CB 4.49Å; F77-D79 HydrophobicContact CE1-CB 3.78Å; F77-D79 HydrophobicContact CZ-CB 4.43Å; D79-K81 VanDerWaalsContact C-N 3.3Å; D79-K81 WeakPolarHBondContact OD1-CA 3.08Å; D79-K81 VanDerWaalsContact OD1-CB 3.27Å; D79-K81 WeakPolarHBondContact OD1-CB 3.12Å; D79-K81 PolarHBondContact OD1-N 3.31Å; D79-Y82 PolarHBondContact OD1-N 2.98Å; D79-Y82 VanDerWaalsContact OD1-N 3.14Å; D79-Y82 WeakPolarHBondContact OD2-CD2 3.43Å; D79-H83 CarbonylContact O-C 3.57Å; D79-H83 VanDerWaalsContact O-CA 3.28Å; D79-H83 WeakPolarHBondContact O-CA 3.42Å; D79-H83 PolarHBondContact O-N 2.81Å; D79-C84 HydrophobicContact CB-CB 4.11Å; D79-C84 PolarHBondContact N-O 3.36Å; D79-C84 PolarHBondContact O-N 2.71Å
80Y90.3Very high95.4Very high122 Ų12239 Ų3948%0.47818%0.181SC..THydrogen-bonded Turntrans-75.4-17.7177.4-67.4-76000113.6T55 V78 H83T55-Y80 HydrophobicContact CG2-CD1 4.33Å; T55-Y80 HydrophobicContact CG2-CE1 4.07Å; V78-Y80 HydrophobicContact CB-CE2 4.35Å; V78-Y80 HydrophobicContact CG1-CD1 4.4Å; V78-Y80 HydrophobicContact CG1-CD2 4.27Å; V78-Y80 HydrophobicContact CG1-CE1 4Å; V78-Y80 HydrophobicContact CG1-CE2 3.85Å; Y80-H83 PolarHBondContact O-CE1 3.37Å
81K89.6Confident95.1Very high156 Ų15642.7 Ų42.768%0.67820%0.204SC*.THydrogen-bonded Turntrans-74-38.8179-179.1179.7177.8177.30111.1D79D79-K81 VanDerWaalsContact C-N 3.3Å; D79-K81 WeakPolarHBondContact OD1-CA 3.08Å; D79-K81 VanDerWaalsContact OD1-CB 3.27Å; D79-K81 WeakPolarHBondContact OD1-CB 3.12Å; D79-K81 PolarHBondContact OD1-N 3.31Å
82Y90.4Very high94.8Very high81 Ų8150.5 Ų50.532%0.31823%0.23SC..THydrogen-bonded Turntrans-109.26.5179.8-60.7-67.3000113.6P4 F6 D79 C84P4-Y82 HydrophobicContact CB-CD2 4.3Å; P4-Y82 HydrophobicContact CB-CE2 4.31Å; P4-Y82 HydrophobicContact CB-CG 4.49Å; P4-Y82 HydrophobicContact CG-CD1 3.59Å; P4-Y82 HydrophobicContact CG-CD2 3.9Å; P4-Y82 HydrophobicContact CG-CE1 3.86Å; P4-Y82 HydrophobicContact CG-CE2 4.13Å; P4-Y82 HydrophobicContact CG-CG 3.61Å; F6-Y82 HydrophobicContact CE1-CD2 4.07Å; F6-Y82 HydrophobicContact CE1-CE2 4.5Å; F6-Y82 HydrophobicContact CZ-CD2 4.27Å; D79-Y82 PolarHBondContact OD1-N 2.98Å; D79-Y82 VanDerWaalsContact OD1-N 3.14Å; D79-Y82 WeakPolarHBondContact OD2-CD2 3.43Å; Y82-C84 VanDerWaalsContact C-N 3.29Å; Y82-C84 PolarHBondContact O-N 2.83Å; Y82-C84 PolarHBondContact O-SG 2.92Å
83H93.6Very high94.6Very high14 Ų1452.2 Ų52.27%0.06524%0.242CC..THydrogen-bonded Turntrans52.845.6-177.6-56.6-64.9000113R36 D48 N51 S52 D79 Y80R36-H83 HydrophobicContact CB-CB 3.98Å; R36-H83 PolarHBondContact N-O 3.34Å; D48-H83 IonicContact OD1-CE1 2.75Å; D48-H83 PolarHBondContact OD1-CE1 3.46Å; D48-H83 VanDerWaalsContact OD1-CE1 3.29Å; D48-H83 IonicContact OD1-NE2 3.83Å; D48-H83 PolarHBondContact OD1-NE2 3.2Å; N51-H83 HydrophobicContact CB-CB 4.22Å; S52-H83 PolarHBondContact OG-CE1 3.04Å; D79-H83 CarbonylContact O-C 3.57Å; D79-H83 VanDerWaalsContact O-CA 3.28Å; D79-H83 WeakPolarHBondContact O-CA 3.42Å; D79-H83 PolarHBondContact O-N 2.81Å; Y80-H83 PolarHBondContact O-CE1 3.37Å
84C95.5Very high94.4Very high0 Ų053.5 Ų53.50%025%0.251CS..EExtended strand (participates in β ladder)trans-106.8138.6179.4-640000111.4F6 I33 K34 D79 Y82 F86F6-C84 HydrophobicContact CZ-CB 4.49Å; I33-C84 HydrophobicContact CG2-CB 3.98Å; K34-C84 VanDerWaalsContact O-CA 3.32Å; K34-C84 WeakPolarHBondContact O-CA 3.24Å; D79-C84 HydrophobicContact CB-CB 4.11Å; D79-C84 PolarHBondContact N-O 3.36Å; D79-C84 PolarHBondContact O-N 2.71Å; Y82-C84 VanDerWaalsContact C-N 3.29Å; Y82-C84 PolarHBondContact O-N 2.83Å; Y82-C84 PolarHBondContact O-SG 2.92Å; C84-F86 HydrophobicContact CB-CD2 4.47Å; C84-F86 HydrophobicContact CB-CE2 3.98Å
85I97.4Very high94.3Very high1 Ų154 Ų541%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-116.7126.9168.9-51169.7000108.1I33 K34 T55 E58 V59 V75 L87I33-I85 WeakPolarHBondContact CA-O 3.49Å; K34-I85 PolarHBondContact N-O 3.4Å; K34-I85 PolarHBondContact O-N 3.45Å; T55-I85 HydrophobicContact CG2-CD1 4.06Å; T55-I85 HydrophobicContact CG2-CG1 3.81Å; E58-I85 HydrophobicContact CB-CD1 4.15Å; E58-I85 HydrophobicContact CG-CD1 3.89Å; V59-I85 HydrophobicContact CG2-CD1 3.95Å; V59-I85 HydrophobicContact CG2-CG1 4.18Å; V59-I85 HydrophobicContact CG2-CG2 4.09Å; V75-I85 HydrophobicContact CG1-CG2 4.12Å; I85-L87 HydrophobicContact CB-CG 4.5Å; I85-L87 HydrophobicContact CG2-CD1 4.43Å; I85-L87 HydrophobicContact CG2-CD2 3.58Å; I85-L87 HydrophobicContact CG2-CG 3.79Å
86F97.6Very high94.1Very high8 Ų852.3 Ų52.34%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-97.1113.7175.3-68.4-120000107.3F6 F26 T31 I33 Y76 F77 C84F6-F86 AromaticContact CD2-CZ 3.75Å; F6-F86 HydrophobicContact CD2-CZ 3.75Å; F6-F86 HydrophobicContact CE2-CE2 4.2Å; F6-F86 AromaticContact CE2-CZ 3.75Å; F6-F86 HydrophobicContact CE2-CZ 3.75Å; F6-F86 HydrophobicContact CG-CZ 4.31Å; F6-F86 HydrophobicContact CZ-CZ 4.32Å; F26-F86 HydrophobicContact CB-CD1 4.25Å; F26-F86 HydrophobicContact CD1-CD1 4.48Å; F26-F86 AromaticContact CD2-CD1 3.7Å; F26-F86 HydrophobicContact CD2-CD1 3.7Å; F26-F86 AromaticContact CD2-CE1 3.79Å; F26-F86 HydrophobicContact CD2-CE1 3.79Å; F26-F86 HydrophobicContact CE2-CD1 4.13Å; F26-F86 HydrophobicContact CE2-CE1 4.12Å; F26-F86 AromaticContact CG-CD1 3.9Å; F26-F86 HydrophobicContact CG-CD1 3.9Å; F26-F86 HydrophobicContact CG-CE1 4.42Å; T31-F86 HydrophobicContact CG2-CB 3.93Å; T31-F86 HydrophobicContact CG2-CD1 3.99Å; T31-F86 HydrophobicContact CG2-CG 4.4Å; I33-F86 HydrophobicContact CD1-CD1 4.12Å; I33-F86 HydrophobicContact CD1-CE1 3.52Å; I33-F86 HydrophobicContact CD1-CZ 3.81Å; I33-F86 HydrophobicContact CG1-CD1 3.73Å; I33-F86 HydrophobicContact CG1-CE1 3.66Å; I33-F86 HydrophobicContact CG1-CE2 4.47Å; I33-F86 HydrophobicContact CG1-CG 4.17Å; I33-F86 HydrophobicContact CG1-CZ 4.05Å; I33-F86 HydrophobicContact CG2-CD2 4.49Å; I33-F86 HydrophobicContact CG2-CE2 4.25Å; I33-F86 HydrophobicContact CG2-CZ 4.42Å; Y76-F86 PolarHBondContact N-O 2.63Å; F77-F86 HydrophobicContact CB-CB 3.95Å; F77-F86 HydrophobicContact CB-CD2 4.18Å; F77-F86 HydrophobicContact CB-CG 4.08Å; F77-F86 AromaticContact CD1-CD2 3.68Å; F77-F86 HydrophobicContact CD1-CD2 3.68Å; F77-F86 AromaticContact CD1-CE2 3.75Å; F77-F86 HydrophobicContact CD1-CE2 3.75Å; F77-F86 HydrophobicContact CD1-CG 4.27Å; F77-F86 HydrophobicContact CD1-CZ 4.36Å; F77-F86 HydrophobicContact CE1-CE2 4.35Å; F77-F86 HydrophobicContact CG-CD2 4.42Å; F77-F86 PolarHBondContact N-O 3.46Å; F77-F86 PolarHBondContact O-N 2.99Å; C84-F86 HydrophobicContact CB-CD2 4.47Å; C84-F86 HydrophobicContact CB-CE2 3.98Å
87L97.9Very high93.8Very high18 Ų1854 Ų549%0.09425%0.248CC..EExtended strand (participates in β ladder)trans-116.3148.9-174.6-62.6171.4000109.9T31 I32 I62 P73 A74 V75 I85 E89T31-L87 CarbonylContact C-O 3.41Å; T31-L87 WeakPolarHBondContact CA-O 3.44Å; T31-L87 WeakPolarHBondContact CG2-O 3.36Å; I32-L87 PolarHBondContact N-O 2.72Å; I32-L87 PolarHBondContact O-N 2.88Å; I62-L87 HydrophobicContact CD1-CD2 3.91Å; P73-L87 HydrophobicContact CB-CB 4.25Å; A74-L87 CarbonylContact O-C 3.51Å; A74-L87 WeakPolarHBondContact O-CA 3.32Å; V75-L87 HydrophobicContact CB-CD2 4.45Å; V75-L87 HydrophobicContact CG2-CD2 3.84Å; I85-L87 HydrophobicContact CB-CG 4.5Å; I85-L87 HydrophobicContact CG2-CD1 4.43Å; I85-L87 HydrophobicContact CG2-CD2 3.58Å; I85-L87 HydrophobicContact CG2-CG 3.79Å; L87-E89 PolarHBondContact O-N 2.91Å
88E97.3Very high93.6Very high61 Ų6153.9 Ų53.929%0.28525%0.251SS..EExtended strand (participates in β ladder)trans-50.6129.3165.6176.3175.7-149.800111R66 P73 A74 Y76 I90R66-E88 IonicContact NH1-OE2 3.18Å; P73-E88 HydrophobicContact CB-CB 4.23Å; A74-E88 HydrophobicContact CB-CB 4.03Å; A74-E88 WeakPolarHBondContact CB-OE2 3.39Å; A74-E88 PolarHBondContact N-OE2 3.06Å; A74-E88 PolarHBondContact O-N 2.69Å; Y76-E88 HydrophobicContact CE1-CB 4.15Å; Y76-E88 HydrophobicContact CE2-CB 4.32Å; E88-I90 HydrophobicContact CG-CD1 4.03Å
89E95.9Very high93.2Very high33 Ų3354.7 Ų54.715%0.15425%0.253CS..  trans-79.3119.9167.5-176.8172.1-166.300110.2R23 P30 I32 L87 V91R23-E89 IonicContact CZ-OE1 3.71Å; R23-E89 IonicContact NE-OE1 3.43Å; R23-E89 PolarHBondContact NE-OE1 2.73Å; R23-E89 IonicContact NE-OE2 2.77Å; R23-E89 PolarHBondContact NE-OE2 3.03Å; R23-E89 IonicContact NH2-OE1 3.93Å; R23-E89 PolarHBondContact NH2-OE1 2.66Å; P30-E89 HydrophobicContact CB-CB 3.93Å; P30-E89 PolarHBondContact O-N 2.9Å; P30-E89 VanDerWaalsContact O-N 3.17Å; I32-E89 HydrophobicContact CD1-CB 4.17Å; I32-E89 HydrophobicContact CD1-CG 3.9Å; I32-E89 HydrophobicContact CG1-CB 3.92Å; I32-E89 HydrophobicContact CG1-CG 4.02Å; L87-E89 PolarHBondContact O-N 2.91Å; E89-V91 HydrophobicContact CG-CG1 4.11Å; E89-V91 PolarHBondContact O-N 3.09Å
90I94.4Very high93Very high19 Ų1953.6 Ų53.610%0.09725%0.247CC..  trans-80.184.4176.2-52.6-56.4000108.9P73 E88 S93 L144 M146 V157P73-I90 HydrophobicContact CB-CD1 4.43Å; P73-I90 HydrophobicContact CG-CD1 4.33Å; P73-I90 HydrophobicContact CG-CG1 4.24Å; E88-I90 HydrophobicContact CG-CD1 4.03Å; I90-S93 PolarHBondContact O-OG 3.18Å; I90-L144 HydrophobicContact CB-CD1 3.71Å; I90-L144 HydrophobicContact CG1-CD1 4.02Å; I90-L144 HydrophobicContact CG2-CB 4.43Å; I90-L144 HydrophobicContact CG2-CD1 3.95Å; I90-M146 HydrophobicContact CG2-CG 3.38Å; I90-M146 HydrophobicContact CG2-SD 3.4Å; I90-M146 WeakPolarHBondContact CG2-SD 3.38Å; I90-V157 HydrophobicContact CD1-CG1 4.08Å; I90-V157 HydrophobicContact CG1-CG1 4.17Å; I90-V157 HydrophobicContact CG2-CG2 4.39Å
91V90.3Very high92.9Very high80 Ų8049 Ų4949%0.48523%0.231SC..THydrogen-bonded Turntrans-68.8155.9-178.5-61.60000112.4P30 E89 S93P30-V91 HydrophobicContact CB-CG1 4.36Å; E89-V91 HydrophobicContact CG-CG1 4.11Å; E89-V91 PolarHBondContact O-N 3.09Å; V91-S93 PolarHBondContact O-N 3.29Å
92R88.5Confident92.8Very high189 Ų18944.1 Ų44.171%0.71322%0.216SC*.THydrogen-bonded Turntrans5535.6178.6-53.3-179.973.3166.42.4113.5H147R92-H147 PolarHBondContact O-N 2.93Å; R92-H147 VanDerWaalsContact O-N 3.16Å
93S91.9Very high92.6Very high39 Ų3941.5 Ų41.527%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-113.9156.1177.966.80000112.3I90 V91 L145I90-S93 PolarHBondContact O-OG 3.18Å; V91-S93 PolarHBondContact O-N 3.29Å; S93-L145 WeakPolarHBondContact CA-O 3.45Å; S93-L145 WeakPolarHBondContact CB-O 3.1Å
94S92.4Very high92.1Very high34 Ų3444 Ų4424%0.23822%0.221CC..EExtended strand (participates in β ladder)trans-125.5153.7168.557.50000109.3L145 H147S94-L145 PolarHBondContact N-O 3.36Å; S94-L145 PolarHBondContact O-N 3.02Å; S94-H147 PolarHBondContact OG-NE2 2.93Å
95T94.6Very high91.4Very high29 Ų2953.6 Ų53.618%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-65148.217374.10000110.3R97 D98 H99 M143 L144T95-R97 PolarHBondContact O-N 3.05Å; T95-D98 PolarHBondContact O-N 3.47Å; T95-D98 VanDerWaalsContact O-N 3.15Å; T95-D98 PolarHBondContact OG1-N 3.43Å; T95-D98 VanDerWaalsContact OG1-N 3.07Å; T95-D98 PolarHBondContact OG1-OD2 3.46Å; T95-H99 PolarHBondContact O-N 3.43Å; T95-M143 CarbonylContact C-O 3.56Å; T95-M143 WeakPolarHBondContact CA-O 3.43Å; T95-L144 HydrophobicContact CG2-CD2 4.07Å
96L92.8Very high90.3Very high2 Ų257.5 Ų57.51%0.0128%0.284CS..Hα-helixtrans-57.5-36173.9176.162.5000110.5H99 I100 L117 V121 T140 M143L96-H99 PolarHBondContact O-N 3.04Å; L96-I100 HydrophobicContact CD1-CD1 3.97Å; L96-I100 HydrophobicContact CD1-CG1 4.09Å; L96-I100 HydrophobicContact CD2-CD1 4.46Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.38Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.2Å; L96-I100 PolarHBondContact O-N 2.95Å; L96-L117 HydrophobicContact CD1-CD1 4.31Å; L96-L117 HydrophobicContact CD1-CD2 3.26Å; L96-L117 HydrophobicContact CD1-CG 3.78Å; L96-V121 HydrophobicContact CD2-CG2 3.92Å; L96-T140 WeakPolarHBondContact CB-O 3.41Å; L96-T140 HydrophobicContact CD2-CG2 4.22Å; L96-T140 HydrophobicContact CG-CG2 4.49Å; L96-T140 PolarHBondContact N-O 3.27Å; L96-M143 HydrophobicContact CB-CB 3.9Å; L96-M143 HydrophobicContact CD2-CB 4.21Å; L96-M143 HydrophobicContact CD2-SD 3.56Å; L96-M143 VanDerWaalsContact CD2-SD 3.56Å; L96-M143 PolarHBondContact N-O 3.29Å
97R92.5Very high88.6Confident102 Ų10264.8 Ų64.839%0.38532%0.323SS..Hα-helixtrans-55.6-52.5173.8-175.1-173.5174.2-176.5-2.5112.4T95 H99 I100 N101 T140 S141 H188T95-R97 PolarHBondContact O-N 3.05Å; R97-H99 VanDerWaalsContact C-N 3.3Å; R97-H99 PolarHBondContact O-N 2.72Å; R97-I100 PolarHBondContact O-N 2.98Å; R97-N101 WeakPolarHBondContact O-CB 3.45Å; R97-N101 VanDerWaalsContact O-CG 3.26Å; R97-N101 PolarHBondContact O-N 3.43Å; R97-N101 VanDerWaalsContact O-N 3.08Å; R97-N101 PolarHBondContact O-ND2 2.8Å; R97-T140 WeakPolarHBondContact CB-OG1 3.4Å; R97-T140 PolarHBondContact N-O 3.06Å; R97-S141 VanDerWaalsContact CD-OG 3.23Å; R97-S141 WeakPolarHBondContact CD-OG 3.38Å; R97-H188 PolarHBondContact O-CE1 3.18Å; R97-H188 VanDerWaalsContact O-CE1 3.3Å
98D91.4Very high86.5Confident89 Ų8967.4 Ų67.448%0.47634%0.343SS..Hα-helixtrans-67.3-36.4-176.6-62.1-37.3000111T95 N101 S102T95-D98 PolarHBondContact O-N 3.47Å; T95-D98 VanDerWaalsContact O-N 3.15Å; T95-D98 PolarHBondContact OG1-N 3.43Å; T95-D98 VanDerWaalsContact OG1-N 3.07Å; T95-D98 PolarHBondContact OG1-OD2 3.46Å; D98-N101 PolarHBondContact O-N 2.95Å; D98-S102 WeakPolarHBondContact O-CB 3.19Å; D98-S102 PolarHBondContact O-N 3.13Å; D98-S102 PolarHBondContact O-OG 3.05Å
99H89.8Confident84.2Confident45 Ų4568.2 Ų68.221%0.20837%0.368CS..Hα-helixtrans-62.2-52.6175.4-175.867.5000112T95 L96 R97 N101 S102 V103 L145T95-H99 PolarHBondContact O-N 3.43Å; L96-H99 PolarHBondContact O-N 3.04Å; R97-H99 VanDerWaalsContact C-N 3.3Å; R97-H99 PolarHBondContact O-N 2.72Å; H99-N101 VanDerWaalsContact C-N 3.29Å; H99-N101 PolarHBondContact O-N 2.95Å; H99-S102 PolarHBondContact O-N 3.36Å; H99-S102 VanDerWaalsContact O-N 3.1Å; H99-S102 PolarHBondContact O-OG 3.02Å; H99-V103 WeakPolarHBondContact O-CG2 3.16Å; H99-V103 PolarHBondContact O-N 3.21Å; H99-L145 HydrophobicContact CB-CD2 4.28Å
100I89.1Confident82.3Confident3 Ų370 Ų702%0.01538%0.381CS..Hα-helixtrans-56.1-46.1177.6-66.6165.9000110.5L96 R97 S102 V103 Q104 L114 T140 F184 H188 T191 L194L96-I100 HydrophobicContact CD1-CD1 3.97Å; L96-I100 HydrophobicContact CD1-CG1 4.09Å; L96-I100 HydrophobicContact CD2-CD1 4.46Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.38Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.2Å; L96-I100 PolarHBondContact O-N 2.95Å; R97-I100 PolarHBondContact O-N 2.98Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.31Å; I100-V103 PolarHBondContact O-N 3.03Å; I100-Q104 HydrophobicContact CG2-CG 4.38Å; I100-Q104 WeakPolarHBondContact O-CG 3.21Å; I100-Q104 PolarHBondContact O-N 3.29Å; I100-L114 HydrophobicContact CG1-CD2 4.18Å; I100-T140 HydrophobicContact CD1-CG2 4.41Å; I100-F184 HydrophobicContact CD1-CE1 3.83Å; I100-F184 HydrophobicContact CD1-CZ 4.27Å; I100-H188 HydrophobicContact CG2-CB 4.14Å; I100-H188 WeakPolarHBondContact CG2-ND1 3.44Å; I100-T191 HydrophobicContact CG2-CG2 4.42Å; I100-L194 HydrophobicContact CD1-CD2 4.42Å
101N88.7Confident80.8Confident25 Ų2573.9 Ų73.913%0.13440%0.402CS..Hα-helixtrans-64.6-34.6179.9-72.4-18.5000113.1R97 D98 H99 R105 T187 H188R97-N101 WeakPolarHBondContact O-CB 3.45Å; R97-N101 VanDerWaalsContact O-CG 3.26Å; R97-N101 PolarHBondContact O-N 3.43Å; R97-N101 VanDerWaalsContact O-N 3.08Å; R97-N101 PolarHBondContact O-ND2 2.8Å; D98-N101 PolarHBondContact O-N 2.95Å; H99-N101 VanDerWaalsContact C-N 3.29Å; H99-N101 PolarHBondContact O-N 2.95Å; N101-R105 VanDerWaalsContact O-CG 3.31Å; N101-R105 WeakPolarHBondContact O-CG 3.3Å; N101-R105 PolarHBondContact O-N 3.34Å; N101-T187 PolarHBondContact OD1-O 3.35Å; N101-H188 PolarHBondContact OD1-CE1 3.37Å; N101-H188 PolarHBondContact OD1-ND1 3.12Å
102S87.4Confident79.6Confident54 Ų5476 Ų7638%0.37841%0.41SS..Hα-helixtrans-67.2-44.8176.569.90000111.5D98 H99 I100 R105 C106D98-S102 WeakPolarHBondContact O-CB 3.19Å; D98-S102 PolarHBondContact O-N 3.13Å; D98-S102 PolarHBondContact O-OG 3.05Å; H99-S102 PolarHBondContact O-N 3.36Å; H99-S102 VanDerWaalsContact O-N 3.1Å; H99-S102 PolarHBondContact O-OG 3.02Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.31Å; S102-R105 PolarHBondContact O-N 2.94Å; S102-C106 PolarHBondContact O-N 3.23Å; S102-C106 PolarHBondContact O-SG 3.29Å
103V85Confident79.3Confident27 Ų2768.8 Ų68.816%0.16439%0.394CS..Hα-helixtrans-63.9-44179.1176.40000111.1H99 I100 R105 C106 T110 L114H99-V103 WeakPolarHBondContact O-CG2 3.16Å; H99-V103 PolarHBondContact O-N 3.21Å; I100-V103 PolarHBondContact O-N 3.03Å; V103-R105 PolarHBondContact O-N 2.92Å; V103-C106 PolarHBondContact O-N 3.24Å; V103-C106 VanDerWaalsContact O-N 3.15Å; V103-T110 WeakPolarHBondContact CG1-OG1 3.39Å; V103-L114 HydrophobicContact CB-CD1 4.18Å; V103-L114 HydrophobicContact CB-CD2 4.31Å; V103-L114 HydrophobicContact CB-CG 4.43Å; V103-L114 HydrophobicContact CG1-CD1 3.67Å; V103-L114 HydrophobicContact CG1-CD2 4.34Å; V103-L114 HydrophobicContact CG1-CG 3.93Å; V103-L114 HydrophobicContact CG2-CD2 4.31Å
104Q82.7Confident79Confident67 Ų6767.8 Ų67.831%0.31339%0.386SS..Hα-helixtrans-61.8-27.8178.4-73.3-172.9-44.700114I100 P189I100-Q104 HydrophobicContact CG2-CG 4.38Å; I100-Q104 WeakPolarHBondContact O-CG 3.21Å; I100-Q104 PolarHBondContact O-N 3.29Å; Q104-P189 PolarHBondContact NE2-O 3.03Å
105R82.4Confident78.8Confident200 Ų20067.6 Ų67.676%0.75538%0.381SS*.Hα-helixtrans-82.6-19.9178.6-70.6174.7-162.6159.15.1113.4N101 S102 V103N101-R105 VanDerWaalsContact O-CG 3.31Å; N101-R105 WeakPolarHBondContact O-CG 3.3Å; N101-R105 PolarHBondContact O-N 3.34Å; S102-R105 PolarHBondContact O-N 2.94Å; V103-R105 PolarHBondContact O-N 2.92Å
106C74.7Confident78.6Confident84 Ų8471.4 Ų71.457%0.56840%0.397SS*.SBendtrans-86.1-6.7-172.3-76.70000114.1S102 V103 S108S102-C106 PolarHBondContact O-N 3.23Å; S102-C106 PolarHBondContact O-SG 3.29Å; V103-C106 PolarHBondContact O-N 3.24Å; V103-C106 VanDerWaalsContact O-N 3.15Å; C106-S108 WeakPolarHBondContact O-CB 3.5Å; C106-S108 PolarHBondContact O-N 3.29Å; C106-S108 PolarHBondContact O-OG 3.47Å
107D60.9Low78.4Confident160 Ų16071.8 Ų71.886%0.85640%0.399SS*.  trans508.5177-111.7-1.3000115.9G109D107-G109 PolarHBondContact O-N 3.16Å
108S53.8Low78.5Confident73 Ų7367.1 Ų67.151%0.5138%0.382SS..SBendtrans-96.963.9-170.7570000111.1C106 T110C106-S108 WeakPolarHBondContact O-CB 3.5Å; C106-S108 PolarHBondContact O-N 3.29Å; C106-S108 PolarHBondContact O-OG 3.47Å; S108-T110 WeakPolarHBondContact O-CB 3.34Å; S108-T110 WeakPolarHBondContact O-CG2 3.3Å; S108-T110 PolarHBondContact O-N 2.53Å; S108-T110 PolarHBondContact O-OG1 3.41Å
109G48.6Very low78.6Confident79 Ų7966 Ų6681%0.81437%0.374SS*.SBendtrans48.419.3157.100000118.8D107 D111D107-G109 PolarHBondContact O-N 3.16Å; G109-D111 PolarHBondContact O-N 2.98Å
110T56.2Low78.8Confident69 Ų6966.7 Ų66.742%0.42338%0.375SS..THydrogen-bonded Turntrans-92.929.1-168.723.20000112V103 S108 L112 G113 L114V103-T110 WeakPolarHBondContact CG1-OG1 3.39Å; S108-T110 WeakPolarHBondContact O-CB 3.34Å; S108-T110 WeakPolarHBondContact O-CG2 3.3Å; S108-T110 PolarHBondContact O-N 2.53Å; S108-T110 PolarHBondContact O-OG1 3.41Å; T110-L112 PolarHBondContact O-N 3.39Å; T110-G113 PolarHBondContact O-N 2.97Å; T110-L114 PolarHBondContact O-N 2.79Å
111D63.3Low79.1Confident101 Ų10166.6 Ų66.654%0.5437%0.374SS..Hα-helixtrans-57-39.4177.7-166.838.3000110.7G109 G113 L114 H115G109-D111 PolarHBondContact O-N 2.98Å; D111-G113 PolarHBondContact O-N 2.83Å; D111-L114 PolarHBondContact O-N 3.39Å; D111-H115 VanDerWaalsContact C-CD2 3.49Å; D111-H115 VanDerWaalsContact CG-CD2 3.49Å; D111-H115 PolarHBondContact O-CD2 3.16Å; D111-H115 PolarHBondContact O-N 2.81Å; D111-H115 IonicContact OD1-CD2 2.98Å; D111-H115 IonicContact OD1-CE1 3.1Å; D111-H115 IonicContact OD1-NE2 2.85Å; D111-H115 PolarHBondContact OD1-NE2 3.43Å; D111-H115 IonicContact OD2-CD2 2.73Å; D111-H115 PolarHBondContact OD2-CD2 3.02Å; D111-H115 IonicContact OD2-CE1 3.89Å; D111-H115 IonicContact OD2-NE2 3.68Å; D111-H115 PolarHBondContact OD2-NE2 3.48Å
112L65.4Low79.5Confident125 Ų12565.4 Ų65.465%0.65437%0.368SS*.Hα-helixtrans-59-43.6-178.7-163.670.5000113T110 L114 H115 E116T110-L112 PolarHBondContact O-N 3.39Å; L112-L114 PolarHBondContact O-N 3.49Å; L112-H115 PolarHBondContact O-N 3.33Å; L112-E116 WeakPolarHBondContact O-CG 3.4Å; L112-E116 PolarHBondContact O-N 3.01Å
113G81.3Confident79.9Confident38 Ų3866.3 Ų66.339%0.39237%0.366SS..Hα-helixtrans-68.8-33.4179.700000113T110 D111 L117T110-G113 PolarHBondContact O-N 2.97Å; D111-G113 PolarHBondContact O-N 2.83Å; G113-L117 WeakPolarHBondContact O-CB 3.43Å; G113-L117 PolarHBondContact O-N 3.17Å; G113-L117 VanDerWaalsContact O-N 3.11Å
114L86.2Confident80.5Confident17 Ų1766.1 Ų66.19%0.08936%0.364CS..Hα-helixtrans-69.1-42.2172.9-69-179.5000111.2I100 V103 T110 D111 L112 E116 L117 A118 L194I100-L114 HydrophobicContact CG1-CD2 4.18Å; V103-L114 HydrophobicContact CB-CD1 4.18Å; V103-L114 HydrophobicContact CB-CD2 4.31Å; V103-L114 HydrophobicContact CB-CG 4.43Å; V103-L114 HydrophobicContact CG1-CD1 3.67Å; V103-L114 HydrophobicContact CG1-CD2 4.34Å; V103-L114 HydrophobicContact CG1-CG 3.93Å; V103-L114 HydrophobicContact CG2-CD2 4.31Å; T110-L114 PolarHBondContact O-N 2.79Å; D111-L114 PolarHBondContact O-N 3.39Å; L112-L114 PolarHBondContact O-N 3.49Å; L114-E116 PolarHBondContact O-N 3.49Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 2.84Å; L114-L117 VanDerWaalsContact O-N 3.16Å; L114-A118 PolarHBondContact O-N 3.07Å; L114-L194 VanDerWaalsContact C-CD1 3.48Å; L114-L194 HydrophobicContact CB-CD1 3.91Å; L114-L194 WeakPolarHBondContact O-CD1 3.45Å
115H88.8Confident81.2Confident30 Ų3062.9 Ų62.914%0.13935%0.349CS..Hα-helixtrans-58.8-45.8176.4-73.1-59.4000112.5D111 L112 L117 A118 E119D111-H115 VanDerWaalsContact C-CD2 3.49Å; D111-H115 VanDerWaalsContact CG-CD2 3.49Å; D111-H115 PolarHBondContact O-CD2 3.16Å; D111-H115 PolarHBondContact O-N 2.81Å; D111-H115 IonicContact OD1-CD2 2.98Å; D111-H115 IonicContact OD1-CE1 3.1Å; D111-H115 IonicContact OD1-NE2 2.85Å; D111-H115 PolarHBondContact OD1-NE2 3.43Å; D111-H115 IonicContact OD2-CD2 2.73Å; D111-H115 PolarHBondContact OD2-CD2 3.02Å; D111-H115 IonicContact OD2-CE1 3.89Å; D111-H115 IonicContact OD2-NE2 3.68Å; D111-H115 PolarHBondContact OD2-NE2 3.48Å; L112-H115 PolarHBondContact O-N 3.33Å; H115-L117 VanDerWaalsContact C-N 3.3Å; H115-L117 PolarHBondContact O-N 3.22Å; H115-A118 PolarHBondContact O-N 2.71Å; H115-E119 WeakPolarHBondContact O-CG 3.46Å; H115-E119 PolarHBondContact O-N 3.44Å
116E89.1Confident81.9Confident109 Ų10953.4 Ų53.451%0.50931%0.313SS..Hα-helixtrans-60.1-41.7175.2-72.4174.6-175.800111.4L112 L114 E119 R120L112-E116 WeakPolarHBondContact O-CG 3.4Å; L112-E116 PolarHBondContact O-N 3.01Å; L114-E116 PolarHBondContact O-N 3.49Å; E116-E119 PolarHBondContact O-N 3.46Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.32Å; E116-R120 PolarHBondContact O-N 3.43Å
117L89.9Confident83Confident11 Ų1154.7 Ų54.76%0.05831%0.309CS..Hα-helixtrans-64.3-42.9177.1-17455.4000112L96 G113 L114 H115 R120 V121 L145 L156L96-L117 HydrophobicContact CD1-CD1 4.31Å; L96-L117 HydrophobicContact CD1-CD2 3.26Å; L96-L117 HydrophobicContact CD1-CG 3.78Å; G113-L117 WeakPolarHBondContact O-CB 3.43Å; G113-L117 PolarHBondContact O-N 3.17Å; G113-L117 VanDerWaalsContact O-N 3.11Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 2.84Å; L114-L117 VanDerWaalsContact O-N 3.16Å; H115-L117 VanDerWaalsContact C-N 3.3Å; H115-L117 PolarHBondContact O-N 3.22Å; L117-R120 PolarHBondContact O-N 2.98Å; L117-V121 VanDerWaalsContact O-CG2 3.23Å; L117-V121 WeakPolarHBondContact O-CG2 3.37Å; L117-V121 PolarHBondContact O-N 3.47Å; L117-L145 HydrophobicContact CD1-CD1 3.84Å; L117-L145 HydrophobicContact CD2-CD2 4.3Å; L117-L156 HydrophobicContact CD1-CD1 4.44Å
118A92.8Very high84.8Confident4 Ų447.1 Ų47.13%0.03327%0.269CS..Hα-helixtrans-63-40.5174.600000112.7L114 H115 R120 V121 G122 L194 L198L114-A118 PolarHBondContact O-N 3.07Å; H115-A118 PolarHBondContact O-N 2.71Å; A118-R120 VanDerWaalsContact C-N 3.33Å; A118-R120 PolarHBondContact O-N 2.65Å; A118-V121 PolarHBondContact O-N 3.42Å; A118-G122 PolarHBondContact O-N 2.9Å; A118-L194 HydrophobicContact CB-CD1 3.34Å; A118-L194 HydrophobicContact CB-CG 3.8Å; A118-L194 WeakPolarHBondContact CB-O 3.44Å; A118-L198 HydrophobicContact CB-CB 4.11Å; A118-L198 WeakPolarHBondContact O-CA 3.36Å; A118-L198 WeakPolarHBondContact O-CB 3.47Å
119E94.3Very high86.9Confident65 Ų6543.6 Ų43.630%0.30424%0.244SC..Hα-helixtrans-58.6-46173.4-74.3-175.4-178.700111.3H115 E116 G122 Q123 K197 S201H115-E119 WeakPolarHBondContact O-CG 3.46Å; H115-E119 PolarHBondContact O-N 3.44Å; E116-E119 PolarHBondContact O-N 3.46Å; E119-G122 PolarHBondContact O-N 2.73Å; E119-Q123 WeakPolarHBondContact O-CG 3.41Å; E119-Q123 PolarHBondContact O-N 3.23Å; E119-K197 VanDerWaalsContact CD-CE 3.45Å; E119-K197 HydrophobicContact CG-CD 4.4Å; E119-K197 VanDerWaalsContact CG-CE 3.43Å; E119-K197 HydrophobicContact CG-CG 4Å; E119-K197 WeakPolarHBondContact OE1-CE 3.39Å; E119-K197 IonicContact OE1-NZ 2.75Å; E119-K197 PolarHBondContact OE1-NZ 3.1Å; E119-S201 WeakPolarHBondContact O-CB 3.26Å; E119-S201 PolarHBondContact O-OG 3.38Å
120R93.6Very high89.2Confident59 Ų5941.7 Ų41.722%0.22322%0.215CC..Hα-helixtrans-65.7-41.2179.8-70.6174.971.9-153.91.2112.4E116 L117 A118 G122 Q123 I124 P154E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.32Å; E116-R120 PolarHBondContact O-N 3.43Å; L117-R120 PolarHBondContact O-N 2.98Å; A118-R120 VanDerWaalsContact C-N 3.33Å; A118-R120 PolarHBondContact O-N 2.65Å; R120-G122 VanDerWaalsContact C-N 3.31Å; R120-G122 PolarHBondContact O-N 3.49Å; R120-Q123 PolarHBondContact O-N 3.12Å; R120-I124 WeakPolarHBondContact O-CG1 3.2Å; R120-I124 PolarHBondContact O-N 3.44Å; R120-P154 PolarHBondContact NH1-O 3.34Å; R120-P154 PolarHBondContact NH2-O 2.86Å
121V95.6Very high91.1Very high1 Ų142.2 Ų42.21%0.00621%0.213CC..Hα-helixtrans-57.3-48.1171.7177.10000109.6L96 L117 A118 Q123 I124 L125 M143 L156 L198L96-V121 HydrophobicContact CD2-CG2 3.92Å; L117-V121 VanDerWaalsContact O-CG2 3.23Å; L117-V121 WeakPolarHBondContact O-CG2 3.37Å; L117-V121 PolarHBondContact O-N 3.47Å; A118-V121 PolarHBondContact O-N 3.42Å; V121-Q123 VanDerWaalsContact C-N 3.35Å; V121-Q123 PolarHBondContact O-N 3.27Å; V121-I124 PolarHBondContact O-N 2.92Å; V121-L125 HydrophobicContact CG1-CD1 3.72Å; V121-L125 HydrophobicContact CG1-CG 4.19Å; V121-L125 WeakPolarHBondContact O-CB 3.41Å; V121-L125 VanDerWaalsContact O-CG 3.27Å; V121-L125 WeakPolarHBondContact O-CG 3.4Å; V121-L125 PolarHBondContact O-N 2.91Å; V121-M143 HydrophobicContact CG1-CE 4.06Å; V121-M143 HydrophobicContact CG1-SD 3.95Å; V121-M143 HydrophobicContact CG2-SD 4.36Å; V121-L156 HydrophobicContact CB-CD2 4.21Å; V121-L156 HydrophobicContact CG2-CD2 3.5Å; V121-L156 VanDerWaalsContact CG2-CD2 3.5Å; V121-L198 HydrophobicContact CB-CD1 3.87Å; V121-L198 HydrophobicContact CB-CG 4.33Å; V121-L198 HydrophobicContact CG1-CD1 3.46Å; V121-L198 VanDerWaalsContact CG1-CD1 3.46Å; V121-L198 HydrophobicContact CG1-CG 4.17Å
122G96.9Very high92.8Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-58.3-43.1178.800000113.2A118 E119 R120 A126 Y202A118-G122 PolarHBondContact O-N 2.9Å; E119-G122 PolarHBondContact O-N 2.73Å; R120-G122 VanDerWaalsContact C-N 3.31Å; R120-G122 PolarHBondContact O-N 3.49Å; G122-A126 WeakPolarHBondContact O-CB 3.27Å; G122-A126 PolarHBondContact O-N 2.93Å; G122-Y202 WeakPolarHBondContact O-CA 3.45Å
123Q97.1Very high94.3Very high74 Ų7433.3 Ų33.335%0.34617%0.166SC..Hα-helixtrans-64-45.7176.8-72.21658.100112.5E119 R120 V121 A126 K127 S201 T205E119-Q123 WeakPolarHBondContact O-CG 3.41Å; E119-Q123 PolarHBondContact O-N 3.23Å; R120-Q123 PolarHBondContact O-N 3.12Å; V121-Q123 VanDerWaalsContact C-N 3.35Å; V121-Q123 PolarHBondContact O-N 3.27Å; Q123-A126 PolarHBondContact O-N 2.82Å; Q123-K127 WeakPolarHBondContact O-CG 3.41Å; Q123-K127 PolarHBondContact O-N 3.41Å; Q123-K127 VanDerWaalsContact O-N 3.12Å; Q123-S201 WeakPolarHBondContact CG-OG 3.31Å; Q123-T205 HydrophobicContact CB-CG2 4.49Å
124I96.7Very high95.1Very high22 Ų2231.6 Ų31.611%0.11315%0.148CC..Hα-helixtrans-68.5-40.3-178.7-64.2164.4000110.5I70 R120 V121 K127 M128 L156 F158I70-I124 HydrophobicContact CG2-CG2 3.69Å; R120-I124 WeakPolarHBondContact O-CG1 3.2Å; R120-I124 PolarHBondContact O-N 3.44Å; V121-I124 PolarHBondContact O-N 2.92Å; I124-K127 PolarHBondContact O-N 3.47Å; I124-M128 PolarHBondContact O-N 2.85Å; I124-L156 HydrophobicContact CD1-CB 3.95Å; I124-L156 HydrophobicContact CD1-CD2 3.95Å; I124-L156 HydrophobicContact CD1-CG 4.48Å; I124-F158 HydrophobicContact CB-CE2 3.91Å; I124-F158 HydrophobicContact CB-CZ 4.39Å; I124-F158 HydrophobicContact CD1-CE2 4.35Å; I124-F158 HydrophobicContact CG2-CD2 3.86Å; I124-F158 HydrophobicContact CG2-CE2 3.28Å; I124-F158 HydrophobicContact CG2-CZ 4.01Å
125L97.4Very high95.6Very high0 Ų030.8 Ų30.80%014%0.143CC..Hα-helixtrans-63.3-41.4175.2-72.5177.9000112.6V121 K127 M128 H129 L138 F158 L177 L180 L198 Y202V121-L125 HydrophobicContact CG1-CD1 3.72Å; V121-L125 HydrophobicContact CG1-CG 4.19Å; V121-L125 WeakPolarHBondContact O-CB 3.41Å; V121-L125 VanDerWaalsContact O-CG 3.27Å; V121-L125 WeakPolarHBondContact O-CG 3.4Å; V121-L125 PolarHBondContact O-N 2.91Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 2.75Å; L125-M128 HydrophobicContact CD2-CE 4.45Å; L125-M128 PolarHBondContact O-N 3.07Å; L125-H129 WeakPolarHBondContact O-CB 3.23Å; L125-H129 PolarHBondContact O-N 3.1Å; L125-L138 HydrophobicContact CD1-CD2 3.95Å; L125-L138 HydrophobicContact CD2-CD1 3.83Å; L125-L138 HydrophobicContact CD2-CD2 3.54Å; L125-L138 HydrophobicContact CD2-CG 4.28Å; L125-L138 HydrophobicContact CG-CD2 4.4Å; L125-F158 HydrophobicContact CD2-CE1 3.59Å; L125-F158 HydrophobicContact CD2-CZ 3.86Å; L125-F158 HydrophobicContact CG-CE1 4.34Å; L125-F158 HydrophobicContact CG-CZ 4.16Å; L125-L177 HydrophobicContact CD1-CD2 4.46Å; L125-L180 HydrophobicContact CD1-CD2 3.46Å; L125-L180 VanDerWaalsContact CD1-CD2 3.46Å; L125-L198 HydrophobicContact CD1-CD2 4.31Å; L125-Y202 HydrophobicContact CB-CD2 3.96Å; L125-Y202 HydrophobicContact CB-CE2 4.27Å
126A97.9Very high95.9Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-58.1-46174.300000111.4G122 Q123 H129 D130 Y202 T205G122-A126 WeakPolarHBondContact O-CB 3.27Å; G122-A126 PolarHBondContact O-N 2.93Å; Q123-A126 PolarHBondContact O-N 2.82Å; A126-H129 PolarHBondContact O-N 3.08Å; A126-D130 WeakPolarHBondContact O-CB 3.35Å; A126-D130 VanDerWaalsContact O-CG 3.31Å; A126-D130 PolarHBondContact O-N 2.81Å; A126-Y202 VanDerWaalsContact CA-CE2 3.43Å; A126-Y202 HydrophobicContact CB-CD2 3.8Å; A126-Y202 HydrophobicContact CB-CE2 4.05Å; A126-Y202 HydrophobicContact CB-CG 4.29Å; A126-T205 HydrophobicContact CB-CG2 3.72Å
127K97.5Very high96.1Very high112 Ų11228.1 Ų28.149%0.48714%0.141SC..Hα-helixtrans-61.9-43.7175.4-69175.3-177.2178.70112I70 Q123 I124 L125 H129 D130 E131I70-K127 HydrophobicContact CD1-CB 4.24Å; I70-K127 HydrophobicContact CG1-CB 4.21Å; Q123-K127 WeakPolarHBondContact O-CG 3.41Å; Q123-K127 PolarHBondContact O-N 3.41Å; Q123-K127 VanDerWaalsContact O-N 3.12Å; I124-K127 PolarHBondContact O-N 3.47Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 2.75Å; K127-H129 PolarHBondContact O-N 2.85Å; K127-D130 PolarHBondContact O-N 3.06Å; K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 WeakPolarHBondContact O-CG 3.45Å; K127-E131 PolarHBondContact O-N 3.24Å
128M97.6Very high96.3Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-59.5-46.7178.1-171-175.1-57.700111.8I70 I124 L125 E131 N132 V133 H135 F158 F161I70-M128 VanDerWaalsContact CD1-CA 3.44Å; I70-M128 HydrophobicContact CD1-CB 3.9Å; I70-M128 HydrophobicContact CD1-CG 4.42Å; I70-M128 HydrophobicContact CG2-CE 4.21Å; I124-M128 PolarHBondContact O-N 2.85Å; L125-M128 HydrophobicContact CD2-CE 4.45Å; L125-M128 PolarHBondContact O-N 3.07Å; M128-E131 CarbonylContact O-C 3.58Å; M128-E131 PolarHBondContact O-N 2.95Å; M128-N132 PolarHBondContact O-N 2.9Å; M128-V133 HydrophobicContact CG-CB 3.74Å; M128-V133 HydrophobicContact CG-CG1 3.93Å; M128-V133 PolarHBondContact O-N 3.45Å; M128-V133 HydrophobicContact SD-CG1 4.3Å; M128-H135 HydrophobicContact SD-CB 4.36Å; M128-F158 HydrophobicContact CE-CB 4.19Å; M128-F158 HydrophobicContact CE-CD1 3.59Å; M128-F158 HydrophobicContact CE-CD2 4.18Å; M128-F158 HydrophobicContact CE-CE1 3.96Å; M128-F158 HydrophobicContact CE-CG 3.7Å; M128-F158 HydrophobicContact CE-CZ 4.41Å; M128-F161 HydrophobicContact CE-CE1 4.42Å; M128-F161 HydrophobicContact CE-CZ 4.32Å; M128-F161 HydrophobicContact SD-CE1 4.31Å
129H98.2Very high96.4Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-70.3-35.4177.8-76.3-179.1000113L125 A126 K127 E131 N132 V133 K173 D176 Y202L125-H129 WeakPolarHBondContact O-CB 3.23Å; L125-H129 PolarHBondContact O-N 3.1Å; A126-H129 PolarHBondContact O-N 3.08Å; K127-H129 PolarHBondContact O-N 2.85Å; H129-E131 PolarHBondContact O-N 2.87Å; H129-N132 WeakPolarHBondContact O-CA 2.95Å; H129-N132 PolarHBondContact O-N 3.13Å; H129-V133 PolarHBondContact CD2-O 3.36Å; H129-K173 HydrophobicContact CB-CD 4.01Å; H129-K173 HydrophobicContact CB-CG 4.09Å; H129-K173 PolarHBondContact CE1-O 3.12Å; H129-K173 WeakPolarHBondContact O-CE 3.09Å; H129-K173 PolarHBondContact O-NZ 3.17Å; H129-D176 IonicContact NE2-OD2 3.56Å; H129-D176 PolarHBondContact NE2-OD2 2.98Å; H129-Y202 HydrophobicContact CB-CE2 4.26Å; H129-Y202 WeakPolarHBondContact CB-OH 3.34Å; H129-Y202 AromaticContact ND1-CE2 3.42Å; H129-Y202 WeakPolarHBondContact ND1-CE2 3.42Å; H129-Y202 AromaticContact ND1-CZ 3.53Å; H129-Y202 PolarHBondContact ND1-OH 3.34Å
130D97.3Very high96.3Very high39 Ų3925.9 Ų25.921%0.20913%0.131CC..Hα-helixtrans-66.2-29.4173.8-78.42.9000111.4A126 K127 N132 S206 K207A126-D130 WeakPolarHBondContact O-CB 3.35Å; A126-D130 VanDerWaalsContact O-CG 3.31Å; A126-D130 PolarHBondContact O-N 2.81Å; K127-D130 PolarHBondContact O-N 3.06Å; D130-N132 PolarHBondContact O-N 2.98Å; D130-S206 PolarHBondContact OD1-OG 3.1Å; D130-S206 WeakPolarHBondContact OD2-CA 3.35Å; D130-K207 PolarHBondContact OD1-N 2.73Å; D130-K207 PolarHBondContact OD2-N 3.45Å
131E97.2Very high96.3Very high80 Ų8024.9 Ų24.937%0.37413%0.133SC..THydrogen-bonded Turntrans-806.2169-71.7-60.7144.700114R64 A68 K127 M128 H129 V133R64-E131 PolarHBondContact NE-O 3.08Å; R64-E131 PolarHBondContact NH2-O 2.99Å; A68-E131 HydrophobicContact CB-CG 3.56Å; K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 WeakPolarHBondContact O-CG 3.45Å; K127-E131 PolarHBondContact O-N 3.24Å; M128-E131 CarbonylContact O-C 3.58Å; M128-E131 PolarHBondContact O-N 2.95Å; H129-E131 PolarHBondContact O-N 2.87Å; E131-V133 HydrophobicContact CB-CG2 4.5Å; E131-V133 PolarHBondContact O-N 3.49Å
132N97.1Very high96.3Very high39 Ų3925.7 Ų25.721%0.20914%0.138CC..THydrogen-bonded Turntrans59.225.6179.2-57.8-47.1000113.7M128 H129 D130 I166 S167 A168 K173M128-N132 PolarHBondContact O-N 2.9Å; H129-N132 WeakPolarHBondContact O-CA 2.95Å; H129-N132 PolarHBondContact O-N 3.13Å; D130-N132 PolarHBondContact O-N 2.98Å; N132-I166 HydrophobicContact CB-CG2 4.29Å; N132-I166 CarbonylContact O-C 3.6Å; N132-I166 VanDerWaalsContact O-CA 3.24Å; N132-I166 WeakPolarHBondContact O-CA 3.39Å; N132-I166 WeakPolarHBondContact O-CG2 3.47Å; N132-S167 WeakPolarHBondContact CA-O 3.49Å; N132-S167 VanDerWaalsContact CB-O 3.3Å; N132-S167 WeakPolarHBondContact CB-O 3.42Å; N132-S167 PolarHBondContact O-N 3.21Å; N132-A168 WeakPolarHBondContact OD1-CA 3.45Å; N132-K173 PolarHBondContact OD1-NZ 2.89Å
133V97.7Very high96.3Very high0 Ų025.7 Ų25.70%014%0.138CC..EExtended strand (participates in β ladder)trans-90.8121.9170.5179.30000107.9R64 M128 H129 E131 F161 I166R64-V133 HydrophobicContact CB-CG2 4.17Å; R64-V133 HydrophobicContact CG-CG2 3.84Å; M128-V133 HydrophobicContact CG-CB 3.74Å; M128-V133 HydrophobicContact CG-CG1 3.93Å; M128-V133 PolarHBondContact O-N 3.45Å; M128-V133 HydrophobicContact SD-CG1 4.3Å; H129-V133 PolarHBondContact CD2-O 3.36Å; E131-V133 HydrophobicContact CB-CG2 4.5Å; E131-V133 PolarHBondContact O-N 3.49Å; V133-F161 HydrophobicContact CG1-CD1 4.47Å; V133-F161 HydrophobicContact CG1-CE1 4.18Å; V133-I166 HydrophobicContact CG2-CD1 3.88Å
134I97.9Very high96.2Very high1 Ų123.2 Ų23.21%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-102.6128.8170.3-49-57.2000107.2S164 Y165 D172 K173 D176I134-S164 WeakPolarHBondContact O-CA 3.4Å; I134-S164 WeakPolarHBondContact O-CB 3.4Å; I134-Y165 HydrophobicContact CB-CD1 4.27Å; I134-Y165 HydrophobicContact CB-CD2 4.39Å; I134-Y165 HydrophobicContact CB-CE1 3.95Å; I134-Y165 HydrophobicContact CB-CE2 4.09Å; I134-Y165 HydrophobicContact CB-CG 4.48Å; I134-Y165 HydrophobicContact CG1-CD2 4.36Å; I134-Y165 HydrophobicContact CG1-CE2 3.93Å; I134-Y165 HydrophobicContact CG2-CE1 3.76Å; I134-Y165 HydrophobicContact CG2-CE2 4.4Å; I134-Y165 PolarHBondContact N-O 3.04Å; I134-Y165 PolarHBondContact O-N 3.13Å; I134-Y165 VanDerWaalsContact O-N 3.09Å; I134-D172 HydrophobicContact CD1-CB 4.09Å; I134-D172 HydrophobicContact CG1-CB 4.02Å; I134-K173 HydrophobicContact CD1-CB 4.36Å; I134-K173 HydrophobicContact CD1-CG 3.54Å; I134-D176 HydrophobicContact CG2-CB 3.91Å
135H97.3Very high96Very high0 Ų022.3 Ų22.30%012%0.122CC..  trans-73.1-44.8-178.9-167.2-65.1000111.1M128 D137 L138 I159 D160 L163 S164 D176M128-H135 HydrophobicContact SD-CB 4.36Å; H135-D137 PolarHBondContact CE1-O 3.42Å; H135-D137 PolarHBondContact ND1-N 3.14Å; H135-D137 PolarHBondContact ND1-O 3.29Å; H135-D137 PolarHBondContact O-N 3.33Å; H135-L138 HydrophobicContact CB-CB 4.23Å; H135-L138 HydrophobicContact CB-CD1 3.82Å; H135-I159 PolarHBondContact CE1-O 3.03Å; H135-I159 PolarHBondContact NE2-O 3.08Å; H135-D160 PolarHBondContact CE1-O 3.48Å; H135-L163 CarbonylContact O-C 3.57Å; H135-S164 WeakPolarHBondContact O-CA 3.39Å; H135-S164 PolarHBondContact O-N 2.82Å; H135-D176 WeakPolarHBondContact CB-OD2 3.44Å; H135-D176 PolarHBondContact N-OD2 3.29Å
136G94.7Very high95.6Very high28 Ų2824.3 Ų24.329%0.28913%0.132SC..SBendtrans78.2-3.417600000115.1D176G136-D176 PolarHBondContact N-OD1 3.35Å
137D94.4Very high94.8Very high56 Ų5628.1 Ų28.130%0.29915%0.149SC..SBendtrans-151.350.2174.2-170.231.4000110H135 T139 N142 L163H135-D137 PolarHBondContact CE1-O 3.42Å; H135-D137 PolarHBondContact ND1-N 3.14Å; H135-D137 PolarHBondContact ND1-O 3.29Å; H135-D137 PolarHBondContact O-N 3.33Å; D137-T139 PolarHBondContact O-N 3.15Å; D137-N142 PolarHBondContact O-ND2 3.18Å; D137-N142 PolarHBondContact OD2-ND2 2.96Å; D137-L163 HydrophobicContact CB-CD1 4.16Å
138L93.4Very high93.4Very high0 Ų024.3 Ų24.30%014%0.142CC..  trans-77.896.8-169.7-163.765.3000110.9L125 H135 M143 F158 L180L125-L138 HydrophobicContact CD1-CD2 3.95Å; L125-L138 HydrophobicContact CD2-CD1 3.83Å; L125-L138 HydrophobicContact CD2-CD2 3.54Å; L125-L138 HydrophobicContact CD2-CG 4.28Å; L125-L138 HydrophobicContact CG-CD2 4.4Å; H135-L138 HydrophobicContact CB-CB 4.23Å; H135-L138 HydrophobicContact CB-CD1 3.82Å; L138-M143 HydrophobicContact CD1-CE 3.75Å; L138-M143 HydrophobicContact CG-CE 4.01Å; L138-F158 HydrophobicContact CD1-CD1 4.19Å; L138-F158 HydrophobicContact CD1-CE1 3.92Å; L138-L180 HydrophobicContact CB-CB 4.32Å; L138-L180 HydrophobicContact CD2-CB 3.88Å; L138-L180 HydrophobicContact CD2-CD2 3.83Å; L138-L180 HydrophobicContact CD2-CG 4.36Å; L138-L180 HydrophobicContact CG-CB 4.05Å; L138-L180 HydrophobicContact CG-CD1 4.29Å; L138-L180 HydrophobicContact CG-CD2 4.16Å; L138-L180 HydrophobicContact CG-CG 4.4Å; L138-L180 VanDerWaalsContact O-CA 3.27Å; L138-L180 WeakPolarHBondContact O-CA 3.45Å; L138-L180 PolarHBondContact O-N 3.38Å
139T94.1Very high91.7Very high31 Ų3128.7 Ų28.719%0.1917%0.17CC..  trans-127.9158.8179.6730000111.3D137 S141 N142 A183D137-T139 PolarHBondContact O-N 3.15Å; T139-S141 PolarHBondContact O-N 3.03Å; T139-S141 PolarHBondContact OG1-N 2.8Å; T139-N142 PolarHBondContact O-N 3.49Å; T139-N142 PolarHBondContact OG1-N 3.12Å; T139-N142 PolarHBondContact OG1-ND2 3.34Å; T139-A183 HydrophobicContact CG2-CB 4.17Å
140T93.5Very high89.4Confident1 Ų138.2 Ų38.21%0.00622%0.215CC..THydrogen-bonded Turntrans-66.6-13.6176.6560000113.3L96 R97 I100 L180 F184 H188L96-T140 WeakPolarHBondContact CB-O 3.41Å; L96-T140 HydrophobicContact CD2-CG2 4.22Å; L96-T140 HydrophobicContact CG-CG2 4.49Å; L96-T140 PolarHBondContact N-O 3.27Å; R97-T140 WeakPolarHBondContact CB-OG1 3.4Å; R97-T140 PolarHBondContact N-O 3.06Å; I100-T140 HydrophobicContact CD1-CG2 4.41Å; T140-L180 HydrophobicContact CG2-CD1 4.43Å; T140-F184 HydrophobicContact CG2-CD1 4.48Å; T140-F184 HydrophobicContact CG2-CD2 3.89Å; T140-F184 HydrophobicContact CG2-CE1 4.14Å; T140-F184 HydrophobicContact CG2-CE2 3.52Å; T140-F184 HydrophobicContact CG2-CG 4.37Å; T140-F184 HydrophobicContact CG2-CZ 3.66Å; T140-H188 PolarHBondContact OG1-NE2 2.98Å
141S93.4Very high87.2Confident38 Ų3841.7 Ų41.727%0.26625%0.249SC..THydrogen-bonded Turntrans-82.8-18.3171.6-69.70000113.5R97 T139 M143R97-S141 VanDerWaalsContact CD-OG 3.23Å; R97-S141 WeakPolarHBondContact CD-OG 3.38Å; T139-S141 PolarHBondContact O-N 3.03Å; T139-S141 PolarHBondContact OG1-N 2.8Å; S141-M143 VanDerWaalsContact C-N 3.28Å
142N95.8Very high85.5Confident19 Ų1941.9 Ų41.910%0.10226%0.256CS..SBendtrans-9414.8176.4-68.7-20.6000112.4D137 T139 I159D137-N142 PolarHBondContact O-ND2 3.18Å; D137-N142 PolarHBondContact OD2-ND2 2.96Å; T139-N142 PolarHBondContact O-N 3.49Å; T139-N142 PolarHBondContact OG1-N 3.12Å; T139-N142 PolarHBondContact OG1-ND2 3.34Å; N142-I159 HydrophobicContact CB-CG1 4.45Å; N142-I159 VanDerWaalsContact O-CG1 3.3Å; N142-I159 WeakPolarHBondContact O-CG1 3.46Å; N142-I159 PolarHBondContact O-N 3.3Å
143M96.3Very high84.1Confident0 Ų047.4 Ų47.40%028%0.281CS..EExtended strand (participates in β ladder)trans-122.8126.4173.1-58176.1-168.300108.4T95 L96 V121 L138 S141 L156 F158 L180T95-M143 CarbonylContact C-O 3.56Å; T95-M143 WeakPolarHBondContact CA-O 3.43Å; L96-M143 HydrophobicContact CB-CB 3.9Å; L96-M143 HydrophobicContact CD2-CB 4.21Å; L96-M143 HydrophobicContact CD2-SD 3.56Å; L96-M143 VanDerWaalsContact CD2-SD 3.56Å; L96-M143 PolarHBondContact N-O 3.29Å; V121-M143 HydrophobicContact CG1-CE 4.06Å; V121-M143 HydrophobicContact CG1-SD 3.95Å; V121-M143 HydrophobicContact CG2-SD 4.36Å; L138-M143 HydrophobicContact CD1-CE 3.75Å; L138-M143 HydrophobicContact CG-CE 4.01Å; S141-M143 VanDerWaalsContact C-N 3.28Å; M143-L156 HydrophobicContact CB-CD1 4.08Å; M143-F158 HydrophobicContact CE-CD1 4.39Å; M143-F158 HydrophobicContact CE-CE1 3.5Å; M143-F158 HydrophobicContact CE-CZ 4.07Å; M143-F158 HydrophobicContact CG-CD1 4.06Å; M143-F158 HydrophobicContact CG-CE1 3.83Å; M143-F158 HydrophobicContact CG-CZ 4.27Å; M143-F158 HydrophobicContact SD-CE1 3.96Å; M143-F158 HydrophobicContact SD-CZ 4.12Å; M143-L180 HydrophobicContact CE-CD1 3.88Å; M143-L180 HydrophobicContact CE-CD2 4.03Å
144L95.2Very high83.2Confident22 Ų2249.6 Ų49.612%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-104.7133.5176.7-62.1-178000109.6I90 T95 L156 V157 I159I90-L144 HydrophobicContact CB-CD1 3.71Å; I90-L144 HydrophobicContact CG1-CD1 4.02Å; I90-L144 HydrophobicContact CG2-CB 4.43Å; I90-L144 HydrophobicContact CG2-CD1 3.95Å; T95-L144 HydrophobicContact CG2-CD2 4.07Å; L144-L156 CarbonylContact O-C 3.56Å; L144-L156 WeakPolarHBondContact O-CA 3.42Å; L144-V157 HydrophobicContact CB-CB 4.42Å; L144-V157 PolarHBondContact N-O 3.03Å; L144-V157 PolarHBondContact O-N 3.14Å; L144-I159 HydrophobicContact CD1-CD1 4.05Å; L144-I159 HydrophobicContact CD1-CG2 3.71Å; L144-I159 HydrophobicContact CD2-CD1 4.03Å; L144-I159 HydrophobicContact CG-CD1 3.86Å; L144-I159 HydrophobicContact CG-CG1 4.25Å; L144-I159 HydrophobicContact CG-CG2 4.02Å
145L93.2Very high82.7Confident2 Ų253.9 Ų53.91%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-99.2110.5171.2-167.765.9000108S93 S94 H99 L117 P154 L156S93-L145 WeakPolarHBondContact CA-O 3.45Å; S93-L145 WeakPolarHBondContact CB-O 3.1Å; S94-L145 PolarHBondContact N-O 3.36Å; S94-L145 PolarHBondContact O-N 3.02Å; H99-L145 HydrophobicContact CB-CD2 4.28Å; L117-L145 HydrophobicContact CD1-CD1 3.84Å; L117-L145 HydrophobicContact CD2-CD2 4.3Å; L145-P154 HydrophobicContact CD1-CB 3.68Å; L145-P154 HydrophobicContact CD1-CG 4.12Å; L145-P154 HydrophobicContact CD2-CB 4.4Å; L145-P154 HydrophobicContact CG-CB 3.9Å; L145-L156 HydrophobicContact CD1-CD1 4.4Å
146M88.7Confident82.5Confident43 Ų4353.9 Ų53.921%0.21232%0.315CS..EExtended strand (participates in β ladder)trans-81.8122.6174.6-67.6-159.8-65.300109.7I90 G148 P154 E155 V157I90-M146 HydrophobicContact CG2-CG 3.38Å; I90-M146 HydrophobicContact CG2-SD 3.4Å; I90-M146 WeakPolarHBondContact CG2-SD 3.38Å; M146-G148 PolarHBondContact O-N 2.9Å; M146-P154 CarbonylContact O-C 3.42Å; M146-P154 WeakPolarHBondContact O-CA 3.16Å; M146-P154 WeakPolarHBondContact O-CB 3.39Å; M146-E155 HydrophobicContact CB-CB 4.3Å; M146-E155 HydrophobicContact CE-CB 3.67Å; M146-E155 VanDerWaalsContact CE-CD 3.47Å; M146-E155 HydrophobicContact CE-CG 3.82Å; M146-E155 WeakPolarHBondContact CE-OE2 3.41Å; M146-E155 PolarHBondContact N-O 2.94Å; M146-E155 PolarHBondContact O-N 3.15Å; M146-E155 VanDerWaalsContact O-N 3.08Å; M146-V157 HydrophobicContact CE-CG2 3.6Å; M146-V157 HydrophobicContact CG-CG2 4Å; M146-V157 HydrophobicContact SD-CG2 4.02Å
147H80.7Confident82.6Confident79 Ų7952.7 Ų52.737%0.36630%0.302SS..  trans-91103.9173.4-57.7-69000108R92 S94R92-H147 PolarHBondContact O-N 2.93Å; R92-H147 VanDerWaalsContact O-N 3.16Å; S94-H147 PolarHBondContact OG-NE2 2.93Å
148G67.9Low82.7Confident32 Ų3250 Ų5033%0.3329%0.288SS..  trans-68.4176.6176.100000112.5M146 T152M146-G148 PolarHBondContact O-N 2.9Å; G148-T152 WeakPolarHBondContact CA-OG1 3.29Å
149P63Low82.8Confident92 Ų9252 Ų5260%0.59730%0.298SS*.SBendtrans-55.9148.6165.7-13.527000109.7A151 T152P149-A151 PolarHBondContact O-N 3.39Å; P149-T152 PolarHBondContact O-N 3.44Å; P149-T152 PolarHBondContact O-OG1 2.84Å
150E49.6Very low82.8Confident200 Ų20053.4 Ų53.494%0.93530%0.304SS*.THydrogen-bonded Turntrans-44.9128.5178-66-178.2-18000110.1
151A49.4Very low82.9Confident113 Ų11353.4 Ų53.493%0.93430%0.304SS*.THydrogen-bonded Turntrans94.53.1-174.400000118.7P149P149-A151 PolarHBondContact O-N 3.39Å
152T62.7Low82.9Confident84 Ų8451.8 Ų51.852%0.51529%0.293SS..SBendtrans-107.6135.7168.249.40000111.7G148 P149G148-T152 WeakPolarHBondContact CA-OG1 3.29Å; P149-T152 PolarHBondContact O-N 3.44Å; P149-T152 PolarHBondContact O-OG1 2.84Å
153E67.8Low82.8Confident155 Ų15554.8 Ų54.872%0.72431%0.309SS*.PPolyproline II helixtrans-59.4137.2173.1-73.3-176.8-171.500109.8E155E153-E155 PolarHBondContact O-N 2.94Å
154P78.1Confident82.7Confident46 Ų4655 Ų5530%0.29931%0.311SS..PPolyproline II helixtrans-64.3135.2-176.127.3-34.8000109.9R120 L145 M146R120-P154 PolarHBondContact NH1-O 3.34Å; R120-P154 PolarHBondContact NH2-O 2.86Å; L145-P154 HydrophobicContact CD1-CB 3.68Å; L145-P154 HydrophobicContact CD1-CG 4.12Å; L145-P154 HydrophobicContact CD2-CB 4.4Å; L145-P154 HydrophobicContact CG-CB 3.9Å; M146-P154 CarbonylContact O-C 3.42Å; M146-P154 WeakPolarHBondContact O-CA 3.16Å; M146-P154 WeakPolarHBondContact O-CB 3.39Å
155E87.8Confident82.8Confident90 Ų9057.8 Ų57.842%0.42132%0.32SS..EExtended strand (participates in β ladder)trans-93.8135.8-177.1-174.9176.8-175.500111.1P71 M146 E153 V157P71-E155 HydrophobicContact CB-CG 4.38Å; P71-E155 WeakPolarHBondContact CB-OE1 3.28Å; P71-E155 HydrophobicContact CG-CG 4.23Å; P71-E155 WeakPolarHBondContact CG-OE1 3.37Å; M146-E155 HydrophobicContact CB-CB 4.3Å; M146-E155 HydrophobicContact CE-CB 3.67Å; M146-E155 VanDerWaalsContact CE-CD 3.47Å; M146-E155 HydrophobicContact CE-CG 3.82Å; M146-E155 WeakPolarHBondContact CE-OE2 3.41Å; M146-E155 PolarHBondContact N-O 2.94Å; M146-E155 PolarHBondContact O-N 3.15Å; M146-E155 VanDerWaalsContact O-N 3.08Å; E153-E155 PolarHBondContact O-N 2.94Å; E155-V157 HydrophobicContact CG-CG2 4.48Å
156L93.3Very high82.9Confident1 Ų161.6 Ų61.61%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-96.1117.5178.6-169.777.5000110.5P71 L117 V121 I124 M143 L144 L145 F158P71-L156 WeakPolarHBondContact CB-O 3.29Å; P71-L156 WeakPolarHBondContact CG-O 3.45Å; L117-L156 HydrophobicContact CD1-CD1 4.44Å; V121-L156 HydrophobicContact CB-CD2 4.21Å; V121-L156 HydrophobicContact CG2-CD2 3.5Å; V121-L156 VanDerWaalsContact CG2-CD2 3.5Å; I124-L156 HydrophobicContact CD1-CB 3.95Å; I124-L156 HydrophobicContact CD1-CD2 3.95Å; I124-L156 HydrophobicContact CD1-CG 4.48Å; M143-L156 HydrophobicContact CB-CD1 4.08Å; L144-L156 CarbonylContact O-C 3.56Å; L144-L156 WeakPolarHBondContact O-CA 3.42Å; L145-L156 HydrophobicContact CD1-CD1 4.4Å; L156-F158 HydrophobicContact CD2-CE2 3.67Å; L156-F158 HydrophobicContact CD2-CZ 3.97Å; L156-F158 HydrophobicContact CG-CE2 4.2Å
157V96Very high83.3Confident3 Ų360.3 Ų60.32%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-112.6127.7-179.3-1750000110.4P71 P73 I90 L144 M146 E155 I159P71-V157 HydrophobicContact CB-CB 4.49Å; P71-V157 HydrophobicContact CB-CG2 4.06Å; P73-V157 HydrophobicContact CG-CG1 4.49Å; I90-V157 HydrophobicContact CD1-CG1 4.08Å; I90-V157 HydrophobicContact CG1-CG1 4.17Å; I90-V157 HydrophobicContact CG2-CG2 4.39Å; L144-V157 HydrophobicContact CB-CB 4.42Å; L144-V157 PolarHBondContact N-O 3.03Å; L144-V157 PolarHBondContact O-N 3.14Å; M146-V157 HydrophobicContact CE-CG2 3.6Å; M146-V157 HydrophobicContact CG-CG2 4Å; M146-V157 HydrophobicContact SD-CG2 4.02Å; E155-V157 HydrophobicContact CG-CG2 4.48Å; V157-I159 HydrophobicContact CG1-CG2 4.42Å
158F96.8Very high84.1Confident0 Ų059.3 Ų59.30%034%0.34CS..EExtended strand (participates in β ladder)trans-87.3135175.6-73.6-103.1000110.3P71 P73 I124 L125 M128 L138 M143 L156 F161P71-F158 PolarHBondContact O-N 3.41Å; P73-F158 WeakPolarHBondContact CD-O 3.47Å; I124-F158 HydrophobicContact CB-CE2 3.91Å; I124-F158 HydrophobicContact CB-CZ 4.39Å; I124-F158 HydrophobicContact CD1-CE2 4.35Å; I124-F158 HydrophobicContact CG2-CD2 3.86Å; I124-F158 HydrophobicContact CG2-CE2 3.28Å; I124-F158 HydrophobicContact CG2-CZ 4.01Å; L125-F158 HydrophobicContact CD2-CE1 3.59Å; L125-F158 HydrophobicContact CD2-CZ 3.86Å; L125-F158 HydrophobicContact CG-CE1 4.34Å; L125-F158 HydrophobicContact CG-CZ 4.16Å; M128-F158 HydrophobicContact CE-CB 4.19Å; M128-F158 HydrophobicContact CE-CD1 3.59Å; M128-F158 HydrophobicContact CE-CD2 4.18Å; M128-F158 HydrophobicContact CE-CE1 3.96Å; M128-F158 HydrophobicContact CE-CG 3.7Å; M128-F158 HydrophobicContact CE-CZ 4.41Å; L138-F158 HydrophobicContact CD1-CD1 4.19Å; L138-F158 HydrophobicContact CD1-CE1 3.92Å; M143-F158 HydrophobicContact CE-CD1 4.39Å; M143-F158 HydrophobicContact CE-CE1 3.5Å; M143-F158 HydrophobicContact CE-CZ 4.07Å; M143-F158 HydrophobicContact CG-CD1 4.06Å; M143-F158 HydrophobicContact CG-CE1 3.83Å; M143-F158 HydrophobicContact CG-CZ 4.27Å; M143-F158 HydrophobicContact SD-CE1 3.96Å; M143-F158 HydrophobicContact SD-CZ 4.12Å; L156-F158 HydrophobicContact CD2-CE2 3.67Å; L156-F158 HydrophobicContact CD2-CZ 3.97Å; L156-F158 HydrophobicContact CG-CE2 4.2Å; F158-F161 HydrophobicContact CB-CE2 4.08Å; F158-F161 HydrophobicContact CB-CZ 3.88Å
159I96.1Very high85.5Confident40 Ų4062.7 Ų62.721%0.20535%0.35CS..  trans-129.4167.8-178.662.5162.5000111P73 H135 N142 L144 V157P73-I159 HydrophobicContact CG-CG2 3.82Å; H135-I159 PolarHBondContact CE1-O 3.03Å; H135-I159 PolarHBondContact NE2-O 3.08Å; N142-I159 HydrophobicContact CB-CG1 4.45Å; N142-I159 VanDerWaalsContact O-CG1 3.3Å; N142-I159 WeakPolarHBondContact O-CG1 3.46Å; N142-I159 PolarHBondContact O-N 3.3Å; L144-I159 HydrophobicContact CD1-CD1 4.05Å; L144-I159 HydrophobicContact CD1-CG2 3.71Å; L144-I159 HydrophobicContact CD2-CD1 4.03Å; L144-I159 HydrophobicContact CG-CD1 3.86Å; L144-I159 HydrophobicContact CG-CG1 4.25Å; L144-I159 HydrophobicContact CG-CG2 4.02Å; V157-I159 HydrophobicContact CG1-CG2 4.42Å
160D94.3Very high87.2Confident62 Ų6260 Ų6033%0.33233%0.333SS..  trans58.768.8178.5-156.3-14.4000115.2K34 H135 G162K34-D160 VanDerWaalsContact NZ-CG 3.35Å; K34-D160 IonicContact NZ-OD1 3.48Å; K34-D160 PolarHBondContact NZ-OD1 2.94Å; K34-D160 IonicContact NZ-OD2 3.37Å; H135-D160 PolarHBondContact CE1-O 3.48Å; D160-G162 PolarHBondContact O-N 3.47Å; D160-G162 VanDerWaalsContact O-N 3.09Å; D160-G162 PolarHBondContact OD1-N 3.45Å; D160-G162 VanDerWaalsContact OD1-N 3.16Å
161F95.4Very high89.4Confident0 Ų052.7 Ų52.70%030%0.299CS..  trans-80.624.7171.8-72.6-92.1000112.4E58 I62 C65 A72 M128 V133 F158 L163 S164E58-F161 HydrophobicContact CG-CB 4Å; I62-F161 HydrophobicContact CD1-CD2 4.33Å; I62-F161 HydrophobicContact CG1-CB 4.03Å; I62-F161 HydrophobicContact CG1-CD2 3.5Å; I62-F161 VanDerWaalsContact CG1-CD2 3.5Å; I62-F161 HydrophobicContact CG1-CE2 4.19Å; I62-F161 HydrophobicContact CG1-CG 3.92Å; C65-F161 HydrophobicContact CB-CZ 4.49Å; A72-F161 HydrophobicContact CB-CE2 4.04Å; A72-F161 HydrophobicContact CB-CZ 4.47Å; M128-F161 HydrophobicContact CE-CE1 4.42Å; M128-F161 HydrophobicContact CE-CZ 4.32Å; M128-F161 HydrophobicContact SD-CE1 4.31Å; V133-F161 HydrophobicContact CG1-CD1 4.47Å; V133-F161 HydrophobicContact CG1-CE1 4.18Å; F158-F161 HydrophobicContact CB-CE2 4.08Å; F158-F161 HydrophobicContact CB-CZ 3.88Å; F161-L163 PolarHBondContact O-N 3.46Å; F161-S164 WeakPolarHBondContact CB-OG 3.37Å; F161-S164 VanDerWaalsContact O-CB 3.29Å; F161-S164 WeakPolarHBondContact O-CB 3.25Å; F161-S164 PolarHBondContact O-N 3.32Å; F161-S164 PolarHBondContact O-OG 3.36Å
162G92.3Very high91.7Very high4 Ų449 Ų494%0.04126%0.263CS..THydrogen-bonded Turntrans-70.3-15-170.100000116.1R36 R54 D160R36-G162 PolarHBondContact NH2-O 3.02Å; R54-G162 PolarHBondContact NH2-O 2.92Å; R54-G162 VanDerWaalsContact NH2-O 3.14Å; D160-G162 PolarHBondContact O-N 3.47Å; D160-G162 VanDerWaalsContact O-N 3.09Å; D160-G162 PolarHBondContact OD1-N 3.45Å; D160-G162 VanDerWaalsContact OD1-N 3.16Å
163L93.6Very high93.4Very high83 Ų8345 Ų4544%0.43524%0.239SC..THydrogen-bonded Turntrans-117.27.4172.5-65.6179.5000112.5H135 D137 F161H135-L163 CarbonylContact O-C 3.57Å; D137-L163 HydrophobicContact CB-CD1 4.16Å; F161-L163 PolarHBondContact O-N 3.46Å
164S96Very high94.8Very high5 Ų537.6 Ų37.64%0.03520%0.204CC..  trans-70.9154-176.870.60000112.8S61 I134 H135 F161S61-S164 WeakPolarHBondContact CB-OG 3.3Å; S61-S164 WeakPolarHBondContact OG-CB 3.34Å; S61-S164 PolarHBondContact OG-OG 3.32Å; I134-S164 WeakPolarHBondContact O-CA 3.4Å; I134-S164 WeakPolarHBondContact O-CB 3.4Å; H135-S164 WeakPolarHBondContact O-CA 3.39Å; H135-S164 PolarHBondContact O-N 2.82Å; F161-S164 WeakPolarHBondContact CB-OG 3.37Å; F161-S164 VanDerWaalsContact O-CB 3.29Å; F161-S164 WeakPolarHBondContact O-CB 3.25Å; F161-S164 PolarHBondContact O-N 3.32Å; F161-S164 PolarHBondContact O-OG 3.36Å
165Y95.8Very high95.7Very high79 Ų7938.1 Ų38.131%0.3121%0.206SC..EExtended strand (participates in β ladder)trans-155.8167.2175.360-80.9000110.5I134 D172I134-Y165 HydrophobicContact CB-CD1 4.27Å; I134-Y165 HydrophobicContact CB-CD2 4.39Å; I134-Y165 HydrophobicContact CB-CE1 3.95Å; I134-Y165 HydrophobicContact CB-CE2 4.09Å; I134-Y165 HydrophobicContact CB-CG 4.48Å; I134-Y165 HydrophobicContact CG1-CD2 4.36Å; I134-Y165 HydrophobicContact CG1-CE2 3.93Å; I134-Y165 HydrophobicContact CG2-CE1 3.76Å; I134-Y165 HydrophobicContact CG2-CE2 4.4Å; I134-Y165 PolarHBondContact N-O 3.04Å; I134-Y165 PolarHBondContact O-N 3.13Å; I134-Y165 VanDerWaalsContact O-N 3.09Å; Y165-D172 HydrophobicContact CE2-CB 4.22Å; Y165-D172 WeakPolarHBondContact OH-CB 3.42Å
166I96.4Very high96.2Very high83 Ų8333.9 Ų33.943%0.42619%0.187SC..EExtended strand (participates in β ladder)trans-97.2122.8178.9-54.8-54.7000108.9N132 V133N132-I166 HydrophobicContact CB-CG2 4.29Å; N132-I166 CarbonylContact O-C 3.6Å; N132-I166 VanDerWaalsContact O-CA 3.24Å; N132-I166 WeakPolarHBondContact O-CA 3.39Å; N132-I166 WeakPolarHBondContact O-CG2 3.47Å; V133-I166 HydrophobicContact CG2-CD1 3.88Å
167S96.9Very high96.4Very high15 Ų1533.9 Ų33.911%0.10519%0.186CC..  trans-150.6135.4174.9-175.50000112.2N132 L169 D172N132-S167 WeakPolarHBondContact CA-O 3.49Å; N132-S167 VanDerWaalsContact CB-O 3.3Å; N132-S167 WeakPolarHBondContact CB-O 3.42Å; N132-S167 PolarHBondContact O-N 3.21Å; S167-L169 PolarHBondContact OG-N 3.36Å; S167-L169 VanDerWaalsContact OG-N 3.16Å; S167-D172 WeakPolarHBondContact CB-OD2 3.43Å; S167-D172 PolarHBondContact OG-OD2 3.46Å
168A96.8Very high96.4Very high58 Ų5835 Ų3548%0.47919%0.191SC..  trans-90.5-5172.800000113N132 P170N132-A168 WeakPolarHBondContact OD1-CA 3.45Å; A168-P170 WeakPolarHBondContact O-CD 3.46Å
169L97.9Very high96.3Very high103 Ų10337.4 Ų37.454%0.53921%0.206SC..  trans-69.7128.8-175.3-61.7179.4000110.5S167 E171 D172 K173S167-L169 PolarHBondContact OG-N 3.36Å; S167-L169 VanDerWaalsContact OG-N 3.16Å; L169-E171 PolarHBondContact O-N 2.8Å; L169-D172 PolarHBondContact O-N 2.94Å; L169-K173 PolarHBondContact O-N 3.45Å
170P97.8Very high96.2Very high35 Ų3535.5 Ų35.523%0.22720%0.196CC..Hα-helixtrans-60.5-27.4173.6-25.434.5000113.7A168 G174 M208 A211 V212 K215A168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-G174 PolarHBondContact O-N 3.28Å; P170-M208 HydrophobicContact CG-CE 3.86Å; P170-A211 HydrophobicContact CB-CB 4.07Å; P170-A211 HydrophobicContact CG-CB 4.01Å; P170-V212 HydrophobicContact CB-CG2 4.29Å; P170-K215 HydrophobicContact CB-CG 3.93Å
171E97.3Very high96.2Very high47 Ų4733.7 Ų33.722%0.2219%0.186CC..Hα-helixtrans-60.9-49.7176.6-173.283-175.200110.9L169 K173 G174 V175 K215 R222L169-E171 PolarHBondContact O-N 2.8Å; E171-K173 VanDerWaalsContact C-N 3.32Å; E171-K173 PolarHBondContact O-N 2.93Å; E171-G174 CarbonylContact O-C 3.53Å; E171-G174 WeakPolarHBondContact O-CA 3.43Å; E171-G174 PolarHBondContact O-N 3.15Å; E171-G174 VanDerWaalsContact O-N 3.07Å; E171-V175 WeakPolarHBondContact O-CG2 3.31Å; E171-V175 PolarHBondContact O-N 2.95Å; E171-K215 VanDerWaalsContact OE2-CD 3.28Å; E171-K215 WeakPolarHBondContact OE2-CD 3.19Å; E171-K215 VanDerWaalsContact OE2-CE 3.29Å; E171-K215 WeakPolarHBondContact OE2-CE 3.43Å; E171-K215 IonicContact OE2-NZ 3.53Å; E171-K215 PolarHBondContact OE2-NZ 2.98Å; E171-R222 IonicContact OE1-CZ 3.64Å; E171-R222 IonicContact OE1-NH1 3.68Å; E171-R222 PolarHBondContact OE1-NH1 2.77Å; E171-R222 IonicContact OE1-NH2 2.69Å
172D97.8Very high96Very high36 Ų3638.3 Ų38.319%0.19321%0.206CC..Hα-helixtrans-63.4-40.5-177.5-64.9-22.4000111.4I134 Y165 S167 L169 G174 V175 D176I134-D172 HydrophobicContact CD1-CB 4.09Å; I134-D172 HydrophobicContact CG1-CB 4.02Å; Y165-D172 HydrophobicContact CE2-CB 4.22Å; Y165-D172 WeakPolarHBondContact OH-CB 3.42Å; S167-D172 WeakPolarHBondContact CB-OD2 3.43Å; S167-D172 PolarHBondContact OG-OD2 3.46Å; L169-D172 PolarHBondContact O-N 2.94Å; D172-G174 VanDerWaalsContact C-N 3.33Å; D172-G174 PolarHBondContact O-N 3.34Å; D172-V175 PolarHBondContact O-N 3.37Å; D172-D176 PolarHBondContact O-N 3.45Å
173K98.1Very high95.9Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-62.6-40.4173.8-61.4172-173.7-167.10111.4H129 N132 I134 L169 E171 D176 L177 M208 V212H129-K173 HydrophobicContact CB-CD 4.01Å; H129-K173 HydrophobicContact CB-CG 4.09Å; H129-K173 PolarHBondContact CE1-O 3.12Å; H129-K173 WeakPolarHBondContact O-CE 3.09Å; H129-K173 PolarHBondContact O-NZ 3.17Å; N132-K173 PolarHBondContact OD1-NZ 2.89Å; I134-K173 HydrophobicContact CD1-CB 4.36Å; I134-K173 HydrophobicContact CD1-CG 3.54Å; L169-K173 PolarHBondContact O-N 3.45Å; E171-K173 VanDerWaalsContact C-N 3.32Å; E171-K173 PolarHBondContact O-N 2.93Å; K173-D176 PolarHBondContact O-N 3.16Å; K173-L177 WeakPolarHBondContact O-CG 3.49Å; K173-L177 PolarHBondContact O-N 3.25Å; K173-L177 VanDerWaalsContact O-N 3.1Å; K173-M208 PolarHBondContact NZ-SD 3.03Å; K173-V212 HydrophobicContact CB-CB 4.44Å; K173-V212 HydrophobicContact CB-CG1 3.74Å; K173-V212 HydrophobicContact CB-CG2 3.81Å; K173-V212 HydrophobicContact CD-CG2 3.74Å; K173-V212 HydrophobicContact CG-CG2 4.39Å
174G97.4Very high95.7Very high0 Ų034.9 Ų34.90%019%0.188CC..Hα-helixtrans-66.8-39.8176.500000112.6P170 E171 D172 F178P170-G174 PolarHBondContact O-N 3.28Å; E171-G174 CarbonylContact O-C 3.53Å; E171-G174 WeakPolarHBondContact O-CA 3.43Å; E171-G174 PolarHBondContact O-N 3.15Å; E171-G174 VanDerWaalsContact O-N 3.07Å; D172-G174 VanDerWaalsContact C-N 3.33Å; D172-G174 PolarHBondContact O-N 3.34Å; G174-F178 WeakPolarHBondContact O-CB 3.26Å; G174-F178 PolarHBondContact O-N 2.81Å
175V97Very high95.1Very high56 Ų5638.5 Ų38.534%0.33921%0.207SC..Hα-helixtrans-64.9-42.1174.11730000110.9E171 D172 F178 V179 V219E171-V175 WeakPolarHBondContact O-CG2 3.31Å; E171-V175 PolarHBondContact O-N 2.95Å; D172-V175 PolarHBondContact O-N 3.37Å; V175-F178 WeakPolarHBondContact O-CB 3.44Å; V175-F178 PolarHBondContact O-N 3.23Å; V175-F178 VanDerWaalsContact O-N 3.13Å; V175-V179 WeakPolarHBondContact O-CG2 3.27Å; V175-V179 PolarHBondContact O-N 3.43Å; V175-V219 HydrophobicContact CG2-CG1 4.3Å; V175-V219 HydrophobicContact CG2-CG2 3.82Å
176D97.3Very high94.7Very high2 Ų239.1 Ų39.11%0.01122%0.223CC..Hα-helixtrans-63.6-43.1178.9-145.925.1000111.7H129 I134 H135 G136 D172 K173 F178 V179 L180H129-D176 IonicContact NE2-OD2 3.56Å; H129-D176 PolarHBondContact NE2-OD2 2.98Å; I134-D176 HydrophobicContact CG2-CB 3.91Å; H135-D176 WeakPolarHBondContact CB-OD2 3.44Å; H135-D176 PolarHBondContact N-OD2 3.29Å; G136-D176 PolarHBondContact N-OD1 3.35Å; D172-D176 PolarHBondContact O-N 3.45Å; K173-D176 PolarHBondContact O-N 3.16Å; D176-F178 VanDerWaalsContact C-N 3.3Å; D176-F178 PolarHBondContact O-N 3Å; D176-V179 PolarHBondContact O-N 3.39Å; D176-L180 PolarHBondContact O-N 3.32Å; D176-L180 VanDerWaalsContact O-N 3.14Å
177L97.1Very high94.2Very high0 Ų036.8 Ų36.80%021%0.212CC..Hα-helixtrans-61.9-37.5171.7-71.4178.3000112.4L125 K173 L180 E181 L199 Y202 V212 L216L125-L177 HydrophobicContact CD1-CD2 4.46Å; K173-L177 WeakPolarHBondContact O-CG 3.49Å; K173-L177 PolarHBondContact O-N 3.25Å; K173-L177 VanDerWaalsContact O-N 3.1Å; L177-L180 PolarHBondContact O-N 3.46Å; L177-E181 PolarHBondContact O-N 2.7Å; L177-L199 HydrophobicContact CD1-CD1 4.18Å; L177-Y202 HydrophobicContact CD1-CD1 4.14Å; L177-Y202 HydrophobicContact CD1-CE1 3.88Å; L177-Y202 HydrophobicContact CD1-CE2 4.28Å; L177-Y202 HydrophobicContact CD2-CD2 4.11Å; L177-Y202 HydrophobicContact CD2-CE2 4.14Å; L177-V212 HydrophobicContact CD1-CG1 3.73Å; L177-L216 HydrophobicContact CB-CD1 4.15Å; L177-L216 HydrophobicContact CB-CD2 4.23Å; L177-L216 HydrophobicContact CD1-CD2 4.29Å
178F95.5Very high93.5Very high28 Ų2836.1 Ų36.112%0.12321%0.208CC..Hα-helixtrans-67.8-37.2177.5-176.6-108000112.2G174 V175 D176 L180 E181 K182 L216 V219 R220G174-F178 WeakPolarHBondContact O-CB 3.26Å; G174-F178 PolarHBondContact O-N 2.81Å; V175-F178 WeakPolarHBondContact O-CB 3.44Å; V175-F178 PolarHBondContact O-N 3.23Å; V175-F178 VanDerWaalsContact O-N 3.13Å; D176-F178 VanDerWaalsContact C-N 3.3Å; D176-F178 PolarHBondContact O-N 3Å; F178-L180 VanDerWaalsContact C-N 3.32Å; F178-E181 WeakPolarHBondContact CD2-OE2 3.36Å; F178-E181 WeakPolarHBondContact O-CB 3.48Å; F178-E181 PolarHBondContact O-N 2.68Å; F178-K182 HydrophobicContact CD1-CG 4.45Å; F178-K182 HydrophobicContact CE1-CG 4.11Å; F178-K182 HydrophobicContact CE2-CG 4.43Å; F178-K182 HydrophobicContact CZ-CD 4.3Å; F178-K182 HydrophobicContact CZ-CG 4.12Å; F178-K182 WeakPolarHBondContact O-CG 3.41Å; F178-K182 PolarHBondContact O-N 2.97Å; F178-L216 HydrophobicContact CB-CD1 3.74Å; F178-L216 HydrophobicContact CD2-CD1 4.26Å; F178-V219 HydrophobicContact CB-CG1 3.77Å; F178-V219 HydrophobicContact CD1-CG1 3.63Å; F178-V219 HydrophobicContact CD2-CG1 4.15Å; F178-V219 HydrophobicContact CE1-CG1 4.2Å; F178-V219 HydrophobicContact CG-CG1 3.58Å; F178-R220 HydrophobicContact CD2-CG 3.76Å; F178-R220 HydrophobicContact CE2-CB 4.29Å; F178-R220 HydrophobicContact CE2-CG 3.8Å
179V94.8Very high92.6Very high49 Ų4937.3 Ų37.330%0.29721%0.21SC..Hα-helixtrans-60.3-45.3172.7171.90000110V175 D176 K182 A183V175-V179 WeakPolarHBondContact O-CG2 3.27Å; V175-V179 PolarHBondContact O-N 3.43Å; D176-V179 PolarHBondContact O-N 3.39Å; V179-K182 PolarHBondContact O-N 3.18Å; V179-A183 PolarHBondContact O-N 2.95Å
180L94.9Very high91.6Very high0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-64.3-42.7176.7-17560.2000112.5L125 L138 T140 M143 D176 L177 F178 K182 A183 F184 F195 L198L125-L180 HydrophobicContact CD1-CD2 3.46Å; L125-L180 VanDerWaalsContact CD1-CD2 3.46Å; L138-L180 HydrophobicContact CB-CB 4.32Å; L138-L180 HydrophobicContact CD2-CB 3.88Å; L138-L180 HydrophobicContact CD2-CD2 3.83Å; L138-L180 HydrophobicContact CD2-CG 4.36Å; L138-L180 HydrophobicContact CG-CB 4.05Å; L138-L180 HydrophobicContact CG-CD1 4.29Å; L138-L180 HydrophobicContact CG-CD2 4.16Å; L138-L180 HydrophobicContact CG-CG 4.4Å; L138-L180 VanDerWaalsContact O-CA 3.27Å; L138-L180 WeakPolarHBondContact O-CA 3.45Å; L138-L180 PolarHBondContact O-N 3.38Å; T140-L180 HydrophobicContact CG2-CD1 4.43Å; M143-L180 HydrophobicContact CE-CD1 3.88Å; M143-L180 HydrophobicContact CE-CD2 4.03Å; D176-L180 PolarHBondContact O-N 3.32Å; D176-L180 VanDerWaalsContact O-N 3.14Å; L177-L180 PolarHBondContact O-N 3.46Å; F178-L180 VanDerWaalsContact C-N 3.32Å; L180-K182 VanDerWaalsContact C-N 3.29Å; L180-K182 PolarHBondContact O-N 3.24Å; L180-A183 WeakPolarHBondContact O-CB 3.48Å; L180-A183 PolarHBondContact O-N 3.31Å; L180-A183 VanDerWaalsContact O-N 3.14Å; L180-F184 HydrophobicContact CD1-CD2 3.76Å; L180-F184 HydrophobicContact CD1-CE2 3.66Å; L180-F184 HydrophobicContact CD2-CE2 4.28Å; L180-F184 HydrophobicContact CG-CD2 3.86Å; L180-F184 HydrophobicContact CG-CE2 3.88Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 2.96Å; L180-F195 HydrophobicContact CD2-CE2 4.48Å; L180-F195 HydrophobicContact CG-CE2 4.19Å; L180-L198 HydrophobicContact CD2-CD1 4.1Å
181E93.7Very high90.8Very high25 Ų2538.4 Ų38.412%0.11722%0.215CC..Hα-helixtrans-53.6-48174.2-177.6172.2-130.400111L177 F178 F184 L185 F195 R220L177-E181 PolarHBondContact O-N 2.7Å; F178-E181 WeakPolarHBondContact CD2-OE2 3.36Å; F178-E181 WeakPolarHBondContact O-CB 3.48Å; F178-E181 PolarHBondContact O-N 2.68Å; E181-F184 PolarHBondContact O-N 3.42Å; E181-L185 HydrophobicContact CG-CD1 4.15Å; E181-L185 WeakPolarHBondContact O-CG 3.3Å; E181-L185 PolarHBondContact O-N 3.24Å; E181-F195 HydrophobicContact CB-CD1 4.34Å; E181-F195 HydrophobicContact CB-CE1 3.58Å; E181-F195 HydrophobicContact CB-CE2 3.98Å; E181-F195 HydrophobicContact CB-CZ 3.39Å; E181-F195 HydrophobicContact CG-CD1 4.01Å; E181-F195 HydrophobicContact CG-CE1 3.59Å; E181-F195 HydrophobicContact CG-CZ 3.96Å; E181-R220 IonicContact OE1-CZ 2.71Å; E181-R220 VanDerWaalsContact OE1-CZ 3.24Å; E181-R220 IonicContact OE1-NE 3.46Å; E181-R220 PolarHBondContact OE1-NE 3.23Å; E181-R220 IonicContact OE1-NH2 3.39Å; E181-R220 PolarHBondContact OE1-NH2 2.76Å; E181-R220 WeakPolarHBondContact OE2-CG 3.41Å; E181-R220 IonicContact OE2-CZ 2.81Å; E181-R220 IonicContact OE2-NE 2.63Å; E181-R220 PolarHBondContact OE2-NE 3.37Å; E181-R220 IonicContact OE2-NH2 3.81Å
182K91.6Very high90.2Very high97 Ų9740.4 Ų40.442%0.42223%0.227SC..Hα-helixtrans-66.4-38.2178-67.9-57.8-178-170.20112.7F178 V179 L180 S186F178-K182 HydrophobicContact CD1-CG 4.45Å; F178-K182 HydrophobicContact CE1-CG 4.11Å; F178-K182 HydrophobicContact CE2-CG 4.43Å; F178-K182 HydrophobicContact CZ-CD 4.3Å; F178-K182 HydrophobicContact CZ-CG 4.12Å; F178-K182 WeakPolarHBondContact O-CG 3.41Å; F178-K182 PolarHBondContact O-N 2.97Å; V179-K182 PolarHBondContact O-N 3.18Å; L180-K182 VanDerWaalsContact C-N 3.29Å; L180-K182 PolarHBondContact O-N 3.24Å; K182-S186 VanDerWaalsContact O-CB 3.31Å; K182-S186 WeakPolarHBondContact O-CB 3.4Å; K182-S186 PolarHBondContact O-N 3.11Å; K182-S186 PolarHBondContact O-OG 3.38Å; K182-S186 VanDerWaalsContact O-OG 3.13Å
183A90.6Very high89.7Confident12 Ų1244.4 Ų44.410%0.09925%0.247CC..Hα-helixtrans-58.6-51.8174.500000110.3T139 V179 L180 L185 S186 T187T139-A183 HydrophobicContact CG2-CB 4.17Å; V179-A183 PolarHBondContact O-N 2.95Å; L180-A183 WeakPolarHBondContact O-CB 3.48Å; L180-A183 PolarHBondContact O-N 3.31Å; L180-A183 VanDerWaalsContact O-N 3.14Å; A183-L185 PolarHBondContact O-N 3.11Å; A183-S186 PolarHBondContact O-N 3.11Å; A183-S186 VanDerWaalsContact O-N 3.15Å; A183-S186 PolarHBondContact O-OG 2.98Å; A183-T187 PolarHBondContact O-N 3.17Å; A183-T187 PolarHBondContact O-OG1 2.8Å
184F88.3Confident89.3Confident3 Ų345 Ų451%0.01325%0.25CS..Hα-helixtrans-54.6-53177.3-93.6-89000112.7I100 T140 L180 E181 S186 T187 H188 L194 F195 L198I100-F184 HydrophobicContact CD1-CE1 3.83Å; I100-F184 HydrophobicContact CD1-CZ 4.27Å; T140-F184 HydrophobicContact CG2-CD1 4.48Å; T140-F184 HydrophobicContact CG2-CD2 3.89Å; T140-F184 HydrophobicContact CG2-CE1 4.14Å; T140-F184 HydrophobicContact CG2-CE2 3.52Å; T140-F184 HydrophobicContact CG2-CG 4.37Å; T140-F184 HydrophobicContact CG2-CZ 3.66Å; L180-F184 HydrophobicContact CD1-CD2 3.76Å; L180-F184 HydrophobicContact CD1-CE2 3.66Å; L180-F184 HydrophobicContact CD2-CE2 4.28Å; L180-F184 HydrophobicContact CG-CD2 3.86Å; L180-F184 HydrophobicContact CG-CE2 3.88Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 2.96Å; E181-F184 PolarHBondContact O-N 3.42Å; F184-S186 PolarHBondContact O-N 3.4Å; F184-T187 PolarHBondContact O-N 2.83Å; F184-H188 WeakPolarHBondContact O-CA 3.44Å; F184-H188 WeakPolarHBondContact O-CB 3.4Å; F184-H188 PolarHBondContact O-N 2.91Å; F184-L194 HydrophobicContact CE1-CD2 3.88Å; F184-L194 HydrophobicContact CE1-CG 4.42Å; F184-F195 HydrophobicContact CB-CD2 4.35Å; F184-F195 AromaticContact CD2-CD2 3.85Å; F184-F195 HydrophobicContact CD2-CD2 3.85Å; F184-F195 HydrophobicContact CD2-CE2 4.35Å; F184-F195 HydrophobicContact CE2-CD2 4.36Å; F184-F195 HydrophobicContact CG-CD2 4.12Å; F184-L198 HydrophobicContact CE2-CD1 4.11Å; F184-L198 HydrophobicContact CZ-CD1 4.29Å
185L85.4Confident89Confident80 Ų8045.5 Ų45.542%0.41925%0.253SS..Hα-helixtrans-61.3-30.2-179.2-68.1173.1000113.2E181 A183 D192E181-L185 HydrophobicContact CG-CD1 4.15Å; E181-L185 WeakPolarHBondContact O-CG 3.3Å; E181-L185 PolarHBondContact O-N 3.24Å; A183-L185 PolarHBondContact O-N 3.11Å; L185-D192 VanDerWaalsContact CD2-OD1 3.26Å; L185-D192 WeakPolarHBondContact CD2-OD1 3.23Å
186S86.9Confident88.8Confident93 Ų9348 Ų4865%0.6526%0.261SS*.Hα-helixtrans-84.5-35.8-178.971.60000113.6K182 A183 F184K182-S186 VanDerWaalsContact O-CB 3.31Å; K182-S186 WeakPolarHBondContact O-CB 3.4Å; K182-S186 PolarHBondContact O-N 3.11Å; K182-S186 PolarHBondContact O-OG 3.38Å; K182-S186 VanDerWaalsContact O-OG 3.13Å; A183-S186 PolarHBondContact O-N 3.11Å; A183-S186 VanDerWaalsContact O-N 3.15Å; A183-S186 PolarHBondContact O-OG 2.98Å; F184-S186 PolarHBondContact O-N 3.4Å
187T84.7Confident88.6Confident34 Ų3451.3 Ų51.321%0.20928%0.275CS..Hα-helixtrans-102.1-18.1-172.659.30000114N101 A183 F184N101-T187 PolarHBondContact OD1-O 3.35Å; A183-T187 PolarHBondContact O-N 3.17Å; A183-T187 PolarHBondContact O-OG1 2.8Å; F184-T187 PolarHBondContact O-N 2.83Å
188H83.8Confident88.6Confident1 Ų151.3 Ų51.31%0.00528%0.275CS..SBendtrans-134.587.1-173.6-54.6-55.1000110.6R97 I100 N101 T140 F184 T191R97-H188 PolarHBondContact O-CE1 3.18Å; R97-H188 VanDerWaalsContact O-CE1 3.3Å; I100-H188 HydrophobicContact CG2-CB 4.14Å; I100-H188 WeakPolarHBondContact CG2-ND1 3.44Å; N101-H188 PolarHBondContact OD1-CE1 3.37Å; N101-H188 PolarHBondContact OD1-ND1 3.12Å; T140-H188 PolarHBondContact OG1-NE2 2.98Å; F184-H188 WeakPolarHBondContact O-CA 3.44Å; F184-H188 WeakPolarHBondContact O-CB 3.4Å; F184-H188 PolarHBondContact O-N 2.91Å; H188-T191 HydrophobicContact CB-CG2 3.55Å; H188-T191 WeakPolarHBondContact CB-OG1 3.3Å; H188-T191 PolarHBondContact O-OG1 3.31Å
189P77Confident88.7Confident82 Ų8251.1 Ų51.153%0.53228%0.275SS..THydrogen-bonded Turntrans-59.7148.3177.725.5-32.6000110.9Q104 T191Q104-P189 PolarHBondContact NE2-O 3.03Å; P189-T191 VanDerWaalsContact C-N 3.31Å; P189-T191 PolarHBondContact O-N 3.07Å
190N77.7Confident88.8Confident153 Ų15355.3 Ų55.382%0.81829%0.289SS*.THydrogen-bonded Turntrans59.832179.2-51.2-35.4000114.7
191T79.7Confident88.9Confident8 Ų856 Ų565%0.04929%0.294CS..  trans-108.519.5177.760.90000114.4I100 H188 P189 I193 L194 F195I100-T191 HydrophobicContact CG2-CG2 4.42Å; H188-T191 HydrophobicContact CB-CG2 3.55Å; H188-T191 WeakPolarHBondContact CB-OG1 3.3Å; H188-T191 PolarHBondContact O-OG1 3.31Å; P189-T191 VanDerWaalsContact C-N 3.31Å; P189-T191 PolarHBondContact O-N 3.07Å; T191-I193 VanDerWaalsContact C-N 3.29Å; T191-I193 PolarHBondContact O-N 2.68Å; T191-L194 HydrophobicContact CG2-CD2 4.35Å; T191-L194 VanDerWaalsContact O-CB 3.29Å; T191-L194 WeakPolarHBondContact O-CB 3.49Å; T191-L194 PolarHBondContact O-N 2.91Å; T191-F195 PolarHBondContact O-N 3.31Å
192D85.6Confident89.1Confident90 Ų9054.8 Ų54.848%0.48129%0.288SS..Hα-helixtrans-56-44.2179.4-56.8-86000112L185 L194 F195 E196L185-D192 VanDerWaalsContact CD2-OD1 3.26Å; L185-D192 WeakPolarHBondContact CD2-OD1 3.23Å; D192-L194 VanDerWaalsContact C-N 3.28Å; D192-L194 PolarHBondContact O-N 3.01Å; D192-F195 PolarHBondContact O-N 3.38Å; D192-E196 WeakPolarHBondContact O-CG 3.49Å; D192-E196 PolarHBondContact O-N 3.07Å
193I87.4Confident89.4Confident119 Ų11951.9 Ų51.961%0.6128%0.282SS*.Hα-helixtrans-61.5-39.3178.4-56.3176.1000110.9T191 E196 K197T191-I193 VanDerWaalsContact C-N 3.29Å; T191-I193 PolarHBondContact O-N 2.68Å; I193-E196 PolarHBondContact O-N 2.68Å; I193-K197 WeakPolarHBondContact O-CB 3.35Å; I193-K197 PolarHBondContact O-N 3.41Å
194L88.2Confident89.8Confident12 Ų1255.6 Ų55.66%0.06331%0.313CS..Hα-helixtrans-65.2-43179.2-171.566.7000111I100 L114 A118 F184 T191 D192 K197 L198I100-L194 HydrophobicContact CD1-CD2 4.42Å; L114-L194 VanDerWaalsContact C-CD1 3.48Å; L114-L194 HydrophobicContact CB-CD1 3.91Å; L114-L194 WeakPolarHBondContact O-CD1 3.45Å; A118-L194 HydrophobicContact CB-CD1 3.34Å; A118-L194 HydrophobicContact CB-CG 3.8Å; A118-L194 WeakPolarHBondContact CB-O 3.44Å; F184-L194 HydrophobicContact CE1-CD2 3.88Å; F184-L194 HydrophobicContact CE1-CG 4.42Å; T191-L194 HydrophobicContact CG2-CD2 4.35Å; T191-L194 VanDerWaalsContact O-CB 3.29Å; T191-L194 WeakPolarHBondContact O-CB 3.49Å; T191-L194 PolarHBondContact O-N 2.91Å; D192-L194 VanDerWaalsContact C-N 3.28Å; D192-L194 PolarHBondContact O-N 3.01Å; L194-K197 WeakPolarHBondContact O-CB 3.4Å; L194-K197 PolarHBondContact O-N 3.27Å; L194-L198 PolarHBondContact O-N 2.89Å
195F91.6Very high90.2Very high12 Ų1257.9 Ų57.95%0.05333%0.328CS..Hα-helixtrans-68.5-39.2176.9-170.5-100.4000112.2L180 E181 F184 T191 D192 K197 L198 L199L180-F195 HydrophobicContact CD2-CE2 4.48Å; L180-F195 HydrophobicContact CG-CE2 4.19Å; E181-F195 HydrophobicContact CB-CD1 4.34Å; E181-F195 HydrophobicContact CB-CE1 3.58Å; E181-F195 HydrophobicContact CB-CE2 3.98Å; E181-F195 HydrophobicContact CB-CZ 3.39Å; E181-F195 HydrophobicContact CG-CD1 4.01Å; E181-F195 HydrophobicContact CG-CE1 3.59Å; E181-F195 HydrophobicContact CG-CZ 3.96Å; F184-F195 HydrophobicContact CB-CD2 4.35Å; F184-F195 AromaticContact CD2-CD2 3.85Å; F184-F195 HydrophobicContact CD2-CD2 3.85Å; F184-F195 HydrophobicContact CD2-CE2 4.35Å; F184-F195 HydrophobicContact CE2-CD2 4.36Å; F184-F195 HydrophobicContact CG-CD2 4.12Å; T191-F195 PolarHBondContact O-N 3.31Å; D192-F195 PolarHBondContact O-N 3.38Å; F195-K197 VanDerWaalsContact C-N 3.28Å; F195-K197 PolarHBondContact O-N 3.46Å; F195-L198 HydrophobicContact CE2-CD2 4.39Å; F195-L198 WeakPolarHBondContact O-CB 3.46Å; F195-L198 PolarHBondContact O-N 3.39Å; F195-L199 WeakPolarHBondContact O-CB 3.36Å; F195-L199 PolarHBondContact O-N 2.87Å
196E92.9Very high90.7Very high109 Ų10954.4 Ų54.451%0.50931%0.31SS..Hα-helixtrans-59.5-40.6172.9-75.2-172.7-176.500112.1D192 I193 L199 K200D192-E196 WeakPolarHBondContact O-CG 3.49Å; D192-E196 PolarHBondContact O-N 3.07Å; I193-E196 PolarHBondContact O-N 2.68Å; E196-L199 PolarHBondContact O-N 3.19Å; E196-K200 WeakPolarHBondContact O-CG 3.46Å; E196-K200 PolarHBondContact O-N 2.82Å
197K94.5Very high91Very high70 Ų7059.2 Ų59.230%0.30432%0.319SS..Hα-helixtrans-63.2-46.1177.1-170.776.7-177-169.70111.5E119 I193 L194 F195 L199 K200 S201E119-K197 VanDerWaalsContact CD-CE 3.45Å; E119-K197 HydrophobicContact CG-CD 4.4Å; E119-K197 VanDerWaalsContact CG-CE 3.43Å; E119-K197 HydrophobicContact CG-CG 4Å; E119-K197 WeakPolarHBondContact OE1-CE 3.39Å; E119-K197 IonicContact OE1-NZ 2.75Å; E119-K197 PolarHBondContact OE1-NZ 3.1Å; I193-K197 WeakPolarHBondContact O-CB 3.35Å; I193-K197 PolarHBondContact O-N 3.41Å; L194-K197 WeakPolarHBondContact O-CB 3.4Å; L194-K197 PolarHBondContact O-N 3.27Å; F195-K197 VanDerWaalsContact C-N 3.28Å; F195-K197 PolarHBondContact O-N 3.46Å; K197-L199 VanDerWaalsContact C-N 3.32Å; K197-L199 PolarHBondContact O-N 3.09Å; K197-K200 PolarHBondContact O-N 3.15Å; K197-S201 PolarHBondContact O-N 3.43Å
198L96Very high91.4Very high0 Ų060.8 Ų60.80%033%0.325CS..Hα-helixtrans-55.9-47.9172.6-179163.4000111A118 V121 L125 L180 F184 L194 F195 K200 S201 Y202A118-L198 HydrophobicContact CB-CB 4.11Å; A118-L198 WeakPolarHBondContact O-CA 3.36Å; A118-L198 WeakPolarHBondContact O-CB 3.47Å; V121-L198 HydrophobicContact CB-CD1 3.87Å; V121-L198 HydrophobicContact CB-CG 4.33Å; V121-L198 HydrophobicContact CG1-CD1 3.46Å; V121-L198 VanDerWaalsContact CG1-CD1 3.46Å; V121-L198 HydrophobicContact CG1-CG 4.17Å; L125-L198 HydrophobicContact CD1-CD2 4.31Å; L180-L198 HydrophobicContact CD2-CD1 4.1Å; F184-L198 HydrophobicContact CE2-CD1 4.11Å; F184-L198 HydrophobicContact CZ-CD1 4.29Å; L194-L198 PolarHBondContact O-N 2.89Å; F195-L198 HydrophobicContact CE2-CD2 4.39Å; F195-L198 WeakPolarHBondContact O-CB 3.46Å; F195-L198 PolarHBondContact O-N 3.39Å; L198-K200 PolarHBondContact O-N 2.98Å; L198-S201 WeakPolarHBondContact O-CB 3.47Å; L198-S201 PolarHBondContact O-N 2.97Å; L198-Y202 WeakPolarHBondContact O-CB 3.4Å; L198-Y202 PolarHBondContact O-N 3.25Å
199L96.8Very high92Very high24 Ų2462 Ų6213%0.12633%0.334CS..Hα-helixtrans-66-38.3-177.8-166.164.3000112.4L177 F195 E196 K197 Y202 A203 I213 L216L177-L199 HydrophobicContact CD1-CD1 4.18Å; F195-L199 WeakPolarHBondContact O-CB 3.36Å; F195-L199 PolarHBondContact O-N 2.87Å; E196-L199 PolarHBondContact O-N 3.19Å; K197-L199 VanDerWaalsContact C-N 3.32Å; K197-L199 PolarHBondContact O-N 3.09Å; L199-Y202 PolarHBondContact O-N 2.89Å; L199-A203 WeakPolarHBondContact O-CB 3.37Å; L199-A203 PolarHBondContact O-N 3.46Å; L199-I213 HydrophobicContact CD1-CD1 3.39Å; L199-I213 HydrophobicContact CD2-CD1 4.28Å; L199-I213 HydrophobicContact CG-CD1 3.82Å; L199-L216 HydrophobicContact CD1-CD2 3.73Å; L199-L216 HydrophobicContact CD2-CD2 3.99Å
200K97.2Very high92.9Very high138 Ų13862 Ų6260%0.634%0.34SS*.Hα-helixtrans-61.6-45.3172.7-75.4170.3-177.4166.60111.3E196 K197 L198 A203 A204E196-K200 WeakPolarHBondContact O-CG 3.46Å; E196-K200 PolarHBondContact O-N 2.82Å; K197-K200 PolarHBondContact O-N 3.15Å; L198-K200 PolarHBondContact O-N 2.98Å; K200-A203 PolarHBondContact O-N 2.84Å; K200-A204 WeakPolarHBondContact O-CB 3.18Å; K200-A204 PolarHBondContact O-N 2.71Å
201S97.8Very high93.8Very high13 Ų1356.8 Ų56.89%0.09132%0.318CS..Hα-helixtrans-63.6-42.5177.1-174.30000112.3E119 Q123 K197 L198 A203 A204 T205E119-S201 WeakPolarHBondContact O-CB 3.26Å; E119-S201 PolarHBondContact O-OG 3.38Å; Q123-S201 WeakPolarHBondContact CG-OG 3.31Å; K197-S201 PolarHBondContact O-N 3.43Å; L198-S201 WeakPolarHBondContact O-CB 3.47Å; L198-S201 PolarHBondContact O-N 2.97Å; S201-A203 VanDerWaalsContact C-N 3.34Å; S201-A203 PolarHBondContact O-N 3.42Å; S201-A204 PolarHBondContact O-N 3.47Å; S201-T205 WeakPolarHBondContact O-CB 3.48Å; S201-T205 PolarHBondContact O-N 3Å; S201-T205 VanDerWaalsContact O-N 3.09Å; S201-T205 PolarHBondContact O-OG1 2.91Å
202Y98.3Very high94.7Very high0 Ų056.4 Ų56.40%032%0.316CS..Hα-helixtrans-57.4-47.8172.2177.8-82.8000111.2G122 L125 A126 H129 L177 L198 L199 A204 T205 S206 V212 I213G122-Y202 WeakPolarHBondContact O-CA 3.45Å; L125-Y202 HydrophobicContact CB-CD2 3.96Å; L125-Y202 HydrophobicContact CB-CE2 4.27Å; A126-Y202 VanDerWaalsContact CA-CE2 3.43Å; A126-Y202 HydrophobicContact CB-CD2 3.8Å; A126-Y202 HydrophobicContact CB-CE2 4.05Å; A126-Y202 HydrophobicContact CB-CG 4.29Å; H129-Y202 HydrophobicContact CB-CE2 4.26Å; H129-Y202 WeakPolarHBondContact CB-OH 3.34Å; H129-Y202 AromaticContact ND1-CE2 3.42Å; H129-Y202 WeakPolarHBondContact ND1-CE2 3.42Å; H129-Y202 AromaticContact ND1-CZ 3.53Å; H129-Y202 PolarHBondContact ND1-OH 3.34Å; L177-Y202 HydrophobicContact CD1-CD1 4.14Å; L177-Y202 HydrophobicContact CD1-CE1 3.88Å; L177-Y202 HydrophobicContact CD1-CE2 4.28Å; L177-Y202 HydrophobicContact CD2-CD2 4.11Å; L177-Y202 HydrophobicContact CD2-CE2 4.14Å; L198-Y202 WeakPolarHBondContact O-CB 3.4Å; L198-Y202 PolarHBondContact O-N 3.25Å; L199-Y202 PolarHBondContact O-N 2.89Å; Y202-A204 VanDerWaalsContact C-N 3.33Å; Y202-A204 PolarHBondContact O-N 3.26Å; Y202-T205 PolarHBondContact O-N 3.2Å; Y202-S206 PolarHBondContact O-N 3.47Å; Y202-V212 HydrophobicContact CE1-CB 4.35Å; Y202-V212 HydrophobicContact CE1-CG1 4.05Å; Y202-I213 HydrophobicContact CD1-CD1 4.31Å
203A97.6Very high95.2Very high36 Ų3653.8 Ų53.830%0.29830%0.302SS..Hα-helixtrans-65.7-35.3-177.300000113.1L199 K200 S201 T205 S209 I213L199-A203 WeakPolarHBondContact O-CB 3.37Å; L199-A203 PolarHBondContact O-N 3.46Å; K200-A203 PolarHBondContact O-N 2.84Å; S201-A203 VanDerWaalsContact C-N 3.34Å; S201-A203 PolarHBondContact O-N 3.42Å; A203-T205 VanDerWaalsContact C-N 3.34Å; A203-S209 WeakPolarHBondContact O-CB 3.47Å; A203-S209 PolarHBondContact O-OG 3.32Å; A203-I213 HydrophobicContact CB-CG1 4.48Å
204A97.7Very high95.7Very high91 Ų9154.6 Ų54.675%0.75230%0.301SS*.Hα-helixtrans-72.2-26.5175.800000113.2K200 S201 Y202K200-A204 WeakPolarHBondContact O-CB 3.18Å; K200-A204 PolarHBondContact O-N 2.71Å; S201-A204 PolarHBondContact O-N 3.47Å; Y202-A204 VanDerWaalsContact C-N 3.33Å; Y202-A204 PolarHBondContact O-N 3.26Å
205T97.1Very high96.1Very high51 Ų5156.7 Ų56.731%0.31331%0.31SS..Hα-helixtrans-94.9-40.7-174.3-540000113.1Q123 A126 S201 Y202 A203Q123-T205 HydrophobicContact CB-CG2 4.49Å; A126-T205 HydrophobicContact CB-CG2 3.72Å; S201-T205 WeakPolarHBondContact O-CB 3.48Å; S201-T205 PolarHBondContact O-N 3Å; S201-T205 VanDerWaalsContact O-N 3.09Å; S201-T205 PolarHBondContact O-OG1 2.91Å; Y202-T205 PolarHBondContact O-N 3.2Å; A203-T205 VanDerWaalsContact C-N 3.34Å
206S96.2Very high96.4Very high7 Ų756.1 Ų56.15%0.04931%0.307CS..  trans-76.9134.5-173.9172.80000112D130 Y202 M208 S209D130-S206 PolarHBondContact OD1-OG 3.1Å; D130-S206 WeakPolarHBondContact OD2-CA 3.35Å; Y202-S206 PolarHBondContact O-N 3.47Å; S206-M208 PolarHBondContact O-N 3.31Å; S206-M208 PolarHBondContact OG-N 2.9Å; S206-M208 VanDerWaalsContact OG-N 3.15Å; S206-S209 WeakPolarHBondContact O-CB 3.43Å; S206-S209 PolarHBondContact O-N 3.35Å; S206-S209 PolarHBondContact O-OG 3.23Å; S206-S209 PolarHBondContact OG-N 3Å
207K93.5Very high96.5Very high194 Ų19454.3 Ų54.384%0.84330%0.301SS*.THydrogen-bonded Turntrans-67.1-20.3173.9-61.6175-172.7172.80113.1D130D130-K207 PolarHBondContact OD1-N 2.73Å; D130-K207 PolarHBondContact OD2-N 3.45Å
208M93.3Very high96.6Very high66 Ų6653.5 Ų53.533%0.32530%0.298SS..THydrogen-bonded Turntrans-110.113-177.2-70-17166.700113P170 K173 S206 A210 A211 V212P170-M208 HydrophobicContact CG-CE 3.86Å; K173-M208 PolarHBondContact NZ-SD 3.03Å; S206-M208 PolarHBondContact O-N 3.31Å; S206-M208 PolarHBondContact OG-N 2.9Å; S206-M208 VanDerWaalsContact OG-N 3.15Å; M208-A210 PolarHBondContact O-N 3.3Å; M208-A211 PolarHBondContact O-N 2.86Å; M208-V212 HydrophobicContact CB-CG2 4.36Å; M208-V212 WeakPolarHBondContact O-CG2 3.44Å; M208-V212 PolarHBondContact O-N 3.11Å; M208-V212 VanDerWaalsContact O-N 3.16Å
209S95.1Very high96.5Very high27 Ų2754.1 Ų54.119%0.18930%0.302CS..Hα-helixtrans-51.4-48.8-170.8570000113.4A203 S206 A211 V212 I213A203-S209 WeakPolarHBondContact O-CB 3.47Å; A203-S209 PolarHBondContact O-OG 3.32Å; S206-S209 WeakPolarHBondContact O-CB 3.43Å; S206-S209 PolarHBondContact O-N 3.35Å; S206-S209 PolarHBondContact O-OG 3.23Å; S206-S209 PolarHBondContact OG-N 3Å; S209-A211 VanDerWaalsContact C-N 3.33Å; S209-A211 PolarHBondContact O-N 3.44Å; S209-V212 PolarHBondContact O-N 3.16Å; S209-V212 VanDerWaalsContact O-N 3.12Å; S209-I213 WeakPolarHBondContact O-CB 3.44Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 2.93Å
210A96.1Very high96.4Very high81 Ų8155.5 Ų55.567%0.66931%0.305SS*.Hα-helixtrans-55.4-44.4-177.800000113.4M208 K214M208-A210 PolarHBondContact O-N 3.3Å; A210-K214 WeakPolarHBondContact O-CB 3.47Å; A210-K214 PolarHBondContact O-N 3.28Å; A210-K214 VanDerWaalsContact O-N 3.15Å
211A97.3Very high96.1Very high44 Ų4454.7 Ų54.736%0.36431%0.307SS..Hα-helixtrans-70-40.9178.800000111.8P170 M208 S209 K215P170-A211 HydrophobicContact CB-CB 4.07Å; P170-A211 HydrophobicContact CG-CB 4.01Å; M208-A211 PolarHBondContact O-N 2.86Å; S209-A211 VanDerWaalsContact C-N 3.33Å; S209-A211 PolarHBondContact O-N 3.44Å; A211-K215 WeakPolarHBondContact O-CG 3.46Å; A211-K215 PolarHBondContact O-N 2.8Å; A211-K215 VanDerWaalsContact O-N 3.11Å
212V98Very high95.6Very high0 Ų060.7 Ų60.70%033%0.328CS..Hα-helixtrans-68.4-44.5-179.81770000111.4P170 K173 L177 Y202 M208 S209 K215 L216P170-V212 HydrophobicContact CB-CG2 4.29Å; K173-V212 HydrophobicContact CB-CB 4.44Å; K173-V212 HydrophobicContact CB-CG1 3.74Å; K173-V212 HydrophobicContact CB-CG2 3.81Å; K173-V212 HydrophobicContact CD-CG2 3.74Å; K173-V212 HydrophobicContact CG-CG2 4.39Å; L177-V212 HydrophobicContact CD1-CG1 3.73Å; Y202-V212 HydrophobicContact CE1-CB 4.35Å; Y202-V212 HydrophobicContact CE1-CG1 4.05Å; M208-V212 HydrophobicContact CB-CG2 4.36Å; M208-V212 WeakPolarHBondContact O-CG2 3.44Å; M208-V212 PolarHBondContact O-N 3.11Å; M208-V212 VanDerWaalsContact O-N 3.16Å; S209-V212 PolarHBondContact O-N 3.16Å; S209-V212 VanDerWaalsContact O-N 3.12Å; V212-K215 CarbonylContact O-C 3.53Å; V212-K215 PolarHBondContact O-N 3.39Å; V212-K215 VanDerWaalsContact O-N 3.11Å; V212-L216 PolarHBondContact O-N 3.06Å
213I97.1Very high94.6Very high35 Ų3562.7 Ų62.718%0.17935%0.348CS..Hα-helixtrans-64.1-42.6178.6-63.6-58.7000110.6L199 Y202 A203 S209 K215 L216 D217L199-I213 HydrophobicContact CD1-CD1 3.39Å; L199-I213 HydrophobicContact CD2-CD1 4.28Å; L199-I213 HydrophobicContact CG-CD1 3.82Å; Y202-I213 HydrophobicContact CD1-CD1 4.31Å; A203-I213 HydrophobicContact CB-CG1 4.48Å; S209-I213 WeakPolarHBondContact O-CB 3.44Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 2.93Å; I213-K215 VanDerWaalsContact C-N 3.25Å; I213-K215 PolarHBondContact O-N 3.34Å; I213-L216 HydrophobicContact CD1-CD2 4.39Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 PolarHBondContact O-N 3.45Å; I213-L216 VanDerWaalsContact O-N 3.17Å; I213-D217 PolarHBondContact O-N 2.67Å
214K97.4Very high93.1Very high137 Ų13769.5 Ų69.560%0.59637%0.366SS*.Hα-helixtrans-55.9-43.2172.3-179.2179176.5-179.70111.5A210 D217 E218A210-K214 WeakPolarHBondContact O-CB 3.47Å; A210-K214 PolarHBondContact O-N 3.28Å; A210-K214 VanDerWaalsContact O-N 3.15Å; K214-D217 PolarHBondContact O-N 3.22Å; K214-E218 PolarHBondContact O-N 2.96Å; K214-E218 VanDerWaalsContact O-N 3.11Å
215K97.4Very high91.1Very high56 Ų5674.8 Ų74.824%0.24337%0.372CS..Hα-helixtrans-68.9-38.4177.2-72.9-47.8-160153.70113.5P170 E171 A211 V212 I213 D217 E218 V219P170-K215 HydrophobicContact CB-CG 3.93Å; E171-K215 VanDerWaalsContact OE2-CD 3.28Å; E171-K215 WeakPolarHBondContact OE2-CD 3.19Å; E171-K215 VanDerWaalsContact OE2-CE 3.29Å; E171-K215 WeakPolarHBondContact OE2-CE 3.43Å; E171-K215 IonicContact OE2-NZ 3.53Å; E171-K215 PolarHBondContact OE2-NZ 2.98Å; A211-K215 WeakPolarHBondContact O-CG 3.46Å; A211-K215 PolarHBondContact O-N 2.8Å; A211-K215 VanDerWaalsContact O-N 3.11Å; V212-K215 CarbonylContact O-C 3.53Å; V212-K215 PolarHBondContact O-N 3.39Å; V212-K215 VanDerWaalsContact O-N 3.11Å; I213-K215 VanDerWaalsContact C-N 3.25Å; I213-K215 PolarHBondContact O-N 3.34Å; K215-D217 VanDerWaalsContact C-N 3.28Å; K215-D217 PolarHBondContact O-N 3.05Å; K215-E218 WeakPolarHBondContact CD-OE2 3.29Å; K215-E218 IonicContact NZ-OE1 2.63Å; K215-E218 IonicContact NZ-OE2 2.73Å; K215-E218 PolarHBondContact NZ-OE2 3.4Å; K215-E218 PolarHBondContact O-N 3.19Å; K215-V219 VanDerWaalsContact O-CG2 3.25Å; K215-V219 WeakPolarHBondContact O-CG2 3.47Å; K215-V219 PolarHBondContact O-N 3.49Å
216L96.9Very high88.6Confident0 Ų082.2 Ų82.20%040%0.395CS..Hα-helixtrans-56.2-44.4171.7173.660.7000111.1L177 F178 L199 V212 I213 V219 R220L177-L216 HydrophobicContact CB-CD1 4.15Å; L177-L216 HydrophobicContact CB-CD2 4.23Å; L177-L216 HydrophobicContact CD1-CD2 4.29Å; F178-L216 HydrophobicContact CB-CD1 3.74Å; F178-L216 HydrophobicContact CD2-CD1 4.26Å; L199-L216 HydrophobicContact CD1-CD2 3.73Å; L199-L216 HydrophobicContact CD2-CD2 3.99Å; V212-L216 PolarHBondContact O-N 3.06Å; I213-L216 HydrophobicContact CD1-CD2 4.39Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 PolarHBondContact O-N 3.45Å; I213-L216 VanDerWaalsContact O-N 3.17Å; L216-V219 PolarHBondContact O-N 3.36Å; L216-R220 HydrophobicContact CD1-CG 4.33Å; L216-R220 WeakPolarHBondContact O-CB 3.32Å; L216-R220 VanDerWaalsContact O-CG 3.3Å; L216-R220 WeakPolarHBondContact O-CG 2.67Å; L216-R220 PolarHBondContact O-N 2.92Å
217D95.9Very high85.9Confident71 Ų7186.9 Ų86.938%0.3843%0.427SS..Hα-helixtrans-65.5-40.4177.7-67.3-29.3000112.6I213 K214 K215 V219 R220 L221I213-D217 PolarHBondContact O-N 2.67Å; K214-D217 PolarHBondContact O-N 3.22Å; K215-D217 VanDerWaalsContact C-N 3.28Å; K215-D217 PolarHBondContact O-N 3.05Å; D217-V219 VanDerWaalsContact C-N 3.35Å; D217-V219 PolarHBondContact O-N 3.31Å; D217-R220 PolarHBondContact O-N 2.93Å; D217-R220 IonicContact OD1-CZ 3.19Å; D217-R220 IonicContact OD1-NH1 3.92Å; D217-R220 PolarHBondContact OD1-NH1 2.91Å; D217-L221 WeakPolarHBondContact O-CG 3.46Å; D217-L221 PolarHBondContact O-N 2.69Å; D217-L221 VanDerWaalsContact O-N 3.12Å
218E95.7Very high83.3Confident52 Ų5286.3 Ų86.324%0.24343%0.43CS..Hα-helixtrans-60.8-43172-70.6176.1-156.400111.9K214 K215 L221 R222K214-E218 PolarHBondContact O-N 2.96Å; K214-E218 VanDerWaalsContact O-N 3.11Å; K215-E218 WeakPolarHBondContact CD-OE2 3.29Å; K215-E218 IonicContact NZ-OE1 2.63Å; K215-E218 IonicContact NZ-OE2 2.73Å; K215-E218 PolarHBondContact NZ-OE2 3.4Å; K215-E218 PolarHBondContact O-N 3.19Å; E218-L221 PolarHBondContact O-N 3.29Å; E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.48Å; E218-R222 IonicContact OE2-NH2 3.55Å; E218-R222 PolarHBondContact OE2-NH2 3.43Å; E218-R222 VanDerWaalsContact OE2-NH2 3.1Å
219V93.9Very high80.8Confident13 Ų1389.1 Ų89.18%0.07945%0.45CS..Hα-helixtrans-65.5-42177.81730000110.8V175 F178 K215 L216 D217 L221 R222 G223V175-V219 HydrophobicContact CG2-CG1 4.3Å; V175-V219 HydrophobicContact CG2-CG2 3.82Å; F178-V219 HydrophobicContact CB-CG1 3.77Å; F178-V219 HydrophobicContact CD1-CG1 3.63Å; F178-V219 HydrophobicContact CD2-CG1 4.15Å; F178-V219 HydrophobicContact CE1-CG1 4.2Å; F178-V219 HydrophobicContact CG-CG1 3.58Å; K215-V219 VanDerWaalsContact O-CG2 3.25Å; K215-V219 WeakPolarHBondContact O-CG2 3.47Å; K215-V219 PolarHBondContact O-N 3.49Å; L216-V219 PolarHBondContact O-N 3.36Å; D217-V219 VanDerWaalsContact C-N 3.35Å; D217-V219 PolarHBondContact O-N 3.31Å; V219-L221 VanDerWaalsContact C-N 3.29Å; V219-L221 PolarHBondContact O-N 3.06Å; V219-R222 PolarHBondContact O-N 2.91Å; V219-R222 VanDerWaalsContact O-N 3.12Å; V219-G223 PolarHBondContact O-N 2.94Å
220R93.8Very high78.1Confident53 Ų5394.6 Ų94.620%0.251%0.511CS..Hα-helixtrans-56.2-42.5174.5-76.8166.1167.2166.8-6.3112F178 E181 L216 D217 G223 R224F178-R220 HydrophobicContact CD2-CG 3.76Å; F178-R220 HydrophobicContact CE2-CB 4.29Å; F178-R220 HydrophobicContact CE2-CG 3.8Å; E181-R220 IonicContact OE1-CZ 2.71Å; E181-R220 VanDerWaalsContact OE1-CZ 3.24Å; E181-R220 IonicContact OE1-NE 3.46Å; E181-R220 PolarHBondContact OE1-NE 3.23Å; E181-R220 IonicContact OE1-NH2 3.39Å; E181-R220 PolarHBondContact OE1-NH2 2.76Å; E181-R220 WeakPolarHBondContact OE2-CG 3.41Å; E181-R220 IonicContact OE2-CZ 2.81Å; E181-R220 IonicContact OE2-NE 2.63Å; E181-R220 PolarHBondContact OE2-NE 3.37Å; E181-R220 IonicContact OE2-NH2 3.81Å; L216-R220 HydrophobicContact CD1-CG 4.33Å; L216-R220 WeakPolarHBondContact O-CB 3.32Å; L216-R220 VanDerWaalsContact O-CG 3.3Å; L216-R220 WeakPolarHBondContact O-CG 2.67Å; L216-R220 PolarHBondContact O-N 2.92Å; D217-R220 PolarHBondContact O-N 2.93Å; D217-R220 IonicContact OD1-CZ 3.19Å; D217-R220 IonicContact OD1-NH1 3.92Å; D217-R220 PolarHBondContact OD1-NH1 2.91Å; R220-G223 PolarHBondContact O-N 3.3Å; R220-R224 WeakPolarHBondContact O-CG 3.47Å; R220-R224 PolarHBondContact O-N 3.15Å
221L91.1Very high77.2Confident121 Ų12195.3 Ų95.363%0.63450%0.503SS*.Hα-helixtrans-66.5-36177.5-69.7172.6000112.8D217 E218 V219D217-L221 WeakPolarHBondContact O-CG 3.46Å; D217-L221 PolarHBondContact O-N 2.69Å; D217-L221 VanDerWaalsContact O-N 3.12Å; E218-L221 PolarHBondContact O-N 3.29Å; V219-L221 VanDerWaalsContact C-N 3.29Å; V219-L221 PolarHBondContact O-N 3.06Å
222R88.9Confident76.2Confident139 Ų13997.9 Ų97.953%0.52551%0.51SS..Hα-helixtrans-77.6-33.2177.3-63.4174.1-158162.511.5112.7E171 E218 V219E171-R222 IonicContact OE1-CZ 3.64Å; E171-R222 IonicContact OE1-NH1 3.68Å; E171-R222 PolarHBondContact OE1-NH1 2.77Å; E171-R222 IonicContact OE1-NH2 2.69Å; E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.48Å; E218-R222 IonicContact OE2-NH2 3.55Å; E218-R222 PolarHBondContact OE2-NH2 3.43Å; E218-R222 VanDerWaalsContact OE2-NH2 3.1Å; V219-R222 PolarHBondContact O-N 2.91Å; V219-R222 VanDerWaalsContact O-N 3.12Å
223G75.6Confident74.9Confident42 Ų42103.4 Ų103.443%0.43354%0.539SS..Hα-helixtrans-81.1-18-176.700000114.5V219 R220 K225V219-G223 PolarHBondContact O-N 2.94Å; R220-G223 PolarHBondContact O-N 3.3Å; G223-K225 PolarHBondContact O-N 3.35Å
224R68.1Low73.6Confident179 Ų179107.4 Ų107.468%0.67556%0.56SS**SBendtrans-67.4122.1161.3-70.5175.2-171.8-163.31.4106.4R220 R226R220-R224 WeakPolarHBondContact O-CG 3.47Å; R220-R224 PolarHBondContact O-N 3.15Å; R224-R226 PolarHBondContact O-N 3.31Å
225K54.9Low72.2Confident202 Ų202105.6 Ų105.688%0.87856%0.557SS**  trans-46.4110.9168.2-78.6-177.2178.2179.40106.4G223 S227G223-K225 PolarHBondContact O-N 3.35Å; K225-S227 PolarHBondContact O-N 3.22Å
226R43.7Very low70.5Confident208 Ų208108.9 Ų108.979%0.78558%0.578SS**  trans-55.9113.3165.3-76-177.5171.9-177.3-3.5104.1R224 M228R224-R226 PolarHBondContact O-N 3.31Å; R226-M228 PolarHBondContact O-N 2.68Å
227S39.6Very low68.6Low104 Ų104116.6 Ų116.673%0.72762%0.62SS**  trans-61.297167.8-160.60000104.9K225 V229K225-S227 PolarHBondContact O-N 3.22Å; S227-V229 PolarHBondContact O-N 3.24Å; S227-V229 WeakPolarHBondContact OG-CG2 3.49Å
228M39.7Very low66.5Low182 Ų182120.2 Ų120.290%0.89764%0.638SS**  trans-7270.7167.8-76-164.3-76.100106.5R226 G230R226-M228 PolarHBondContact O-N 2.68Å; M228-G230 VanDerWaalsContact C-N 3.31Å; M228-G230 PolarHBondContact O-N 3.49Å
229V39.9Very low64Low125 Ų125125.8 Ų125.876%0.75867%0.671SS**  trans-90.587.5157.8-176.70000104.1S227S227-V229 PolarHBondContact O-N 3.24Å; S227-V229 WeakPolarHBondContact OG-CG2 3.49Å
230G39.4Very low61.3Low142 Ų142136.1 Ų136.1100%1.46473%0.725SS**  trans-86.90154.600000109M228M228-G230 VanDerWaalsContact C-N 3.31Å; M228-G230 PolarHBondContact O-N 3.49Å

Retrieved 230 of 230 residues in 130.7 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).