A0A087XHN9_POEFO Loading...

NDRG family member 4

AlphaFold DB , UniProt , Accession A0A087XHN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47Very low79.3Confident208 Ų20891.6 Ų91.6100%1.02548%0.483SS*.  0104.70-69.8178.4171.500105.8
2P47.2Very low80.8Confident111 Ų11197.2 Ų97.272%0.72150%0.504SS*.  trans-77.3139.9177.829.1-22.1000109.5
3E52.8Low82.1Confident170 Ų17090.6 Ų90.679%0.79447%0.471SS*.  trans56127.1162.1-68.1174.7168.700119.2W5E3-W5 PolarHBondContact O-N 3.11Å
4C69.1Low83Confident97 Ų9790.9 Ų90.966%0.65548%0.482SS*.  trans-61107.1167.2133.80000106.6D6C4-D6 PolarHBondContact O-N 3.09Å; C4-D6 WeakPolarHBondContact SG-CB 3.33Å
5W80.9Confident84Confident85 Ų8591.5 Ų91.532%0.32248%0.475SS..  trans-67.36.3173.5-64.5103.2000112.3E3 G7 H9 I22 F103E3-W5 PolarHBondContact O-N 3.11Å; W5-G7 PolarHBondContact O-N 3.05Å; W5-G7 VanDerWaalsContact O-N 3.15Å; W5-H9 AromaticContact CE3-CE1 3.63Å; W5-H9 AromaticContact CE3-ND1 3.94Å; W5-H9 PolarHBondContact O-NE2 3.04Å; W5-I22 HydrophobicContact CB-CB 4.32Å; W5-I22 HydrophobicContact CB-CG1 4.29Å; W5-I22 HydrophobicContact CB-CG2 4.01Å; W5-I22 VanDerWaalsContact O-CB 3.24Å; W5-I22 WeakPolarHBondContact O-CB 3.31Å; W5-F103 HydrophobicContact CB-CD1 4Å; W5-F103 HydrophobicContact CB-CE1 4.18Å; W5-F103 AromaticContact CD2-CD1 3.68Å; W5-F103 HydrophobicContact CD2-CD1 3.68Å; W5-F103 AromaticContact CD2-CE1 3.94Å; W5-F103 HydrophobicContact CD2-CE1 3.94Å; W5-F103 AromaticContact CE3-CD1 3.9Å; W5-F103 HydrophobicContact CE3-CD1 3.9Å; W5-F103 AromaticContact CE3-CE1 3.69Å; W5-F103 HydrophobicContact CE3-CE1 3.69Å; W5-F103 AromaticContact CG-CD1 3.72Å; W5-F103 HydrophobicContact CG-CD1 3.72Å; W5-F103 HydrophobicContact CG-CE1 4.17Å; W5-F103 HydrophobicContact CZ3-CE1 4.38Å
6D90.4Very high84.7Confident71 Ų7187.6 Ų87.638%0.3846%0.464SS..  trans-57.6120.9179.8-160.788.5000110.5C4 I22 R23 G24C4-D6 PolarHBondContact O-N 3.09Å; C4-D6 WeakPolarHBondContact SG-CB 3.33Å; D6-I22 WeakPolarHBondContact CA-O 3.28Å; D6-R23 VanDerWaalsContact OD1-CA 3.25Å; D6-R23 WeakPolarHBondContact OD1-CA 3.48Å; D6-R23 IonicContact OD2-NH1 2.82Å; D6-R23 PolarHBondContact OD2-NH1 3.27Å; D6-G24 PolarHBondContact OD1-N 3.32Å
7G94.7Very high85.4Confident19 Ų1987.9 Ų87.920%0.19646%0.464CS..EExtended strand (participates in β ladder)trans139.6-172.9-173.400000113.4W5 H9 V21 I22W5-G7 PolarHBondContact O-N 3.05Å; W5-G7 VanDerWaalsContact O-N 3.15Å; G7-H9 PolarHBondContact O-CD2 2.74Å; G7-V21 CarbonylContact O-C 3.49Å; G7-V21 WeakPolarHBondContact O-CA 3.5Å; G7-I22 PolarHBondContact N-O 3.31Å; G7-I22 PolarHBondContact O-N 2.99Å
8E96.8Very high86Confident103 Ų10383 Ų8348%0.48144%0.438SS..EExtended strand (participates in β ladder)trans-98.2138.4178.7-55.1-170.9174.900109.6H19 V20 V21 K44E8-H19 IonicContact OE2-CE1 3.87Å; E8-H19 PolarHBondContact OE2-CE1 2.65Å; E8-H19 IonicContact OE2-NE2 3.32Å; E8-V20 CarbonylContact C-O 3.58Å; E8-V20 WeakPolarHBondContact CA-O 3.48Å; E8-V21 HydrophobicContact CB-CG2 4.46Å; E8-V21 HydrophobicContact CG-CG1 4.3Å; E8-V21 HydrophobicContact CG-CG2 3.9Å; E8-K44 IonicContact OE1-NZ 2.74Å
9H97.3Very high86.7Confident43 Ų4379.5 Ų79.520%0.19942%0.419CS..EExtended strand (participates in β ladder)trans-140.2139.6-176.1-58.1-89000109.9W5 G7 V20 F103W5-H9 AromaticContact CE3-CE1 3.63Å; W5-H9 AromaticContact CE3-ND1 3.94Å; W5-H9 PolarHBondContact O-NE2 3.04Å; G7-H9 PolarHBondContact O-CD2 2.74Å; H9-V20 PolarHBondContact N-O 3.49Å; H9-V20 PolarHBondContact O-N 2.79Å; H9-F103 HydrophobicContact CB-CE1 4.39Å; H9-F103 HydrophobicContact CB-CZ 3.86Å; H9-F103 AromaticContact CD2-CE1 3.9Å; H9-F103 AromaticContact CD2-CZ 3.95Å; H9-F103 AromaticContact CG-CE1 3.91Å; H9-F103 AromaticContact CG-CZ 3.85Å
10D97.7Very high87.3Confident100 Ų10075.5 Ų75.554%0.53540%0.398SS..EExtended strand (participates in β ladder)trans-102111.4168.3-62.1-44000108.8M17 H19D10-M17 HydrophobicContact CB-CE 3.4Å; D10-M17 VanDerWaalsContact CB-CE 3.4Å; D10-M17 VanDerWaalsContact O-CE 3.26Å; D10-M17 WeakPolarHBondContact O-CE 3.46Å; D10-H19 IonicContact OD1-CG 3.32Å; D10-H19 IonicContact OD1-ND1 2.79Å; D10-H19 PolarHBondContact OD1-ND1 2.7Å
11V97.9Very high87.8Confident1 Ų171.9 Ų71.91%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-95.3118.4-178.3-176.60000109.2T13 M17 L18 V20 T98 V99 H102 F103V11-T13 HydrophobicContact CG1-CG2 4.38Å; V11-T13 WeakPolarHBondContact O-CG2 3.39Å; V11-M17 WeakPolarHBondContact O-CA 3.48Å; V11-L18 PolarHBondContact N-O 2.74Å; V11-L18 PolarHBondContact O-N 3.36Å; V11-V20 HydrophobicContact CG2-CB 4.41Å; V11-V20 HydrophobicContact CG2-CG2 4Å; V11-T98 HydrophobicContact CG1-CG2 4.21Å; V11-V99 HydrophobicContact CG1-CG2 4.4Å; V11-H102 HydrophobicContact CG1-CB 4.05Å; V11-F103 HydrophobicContact CG2-CE2 3.78Å; V11-F103 HydrophobicContact CG2-CZ 3.94Å
12E98Very high90.2Very high158 Ų15862.1 Ų62.174%0.73833%0.331SS*.EExtended strand (participates in β ladder)trans-71.1128.2172.9-171173.9-167.500110.4M17 T98E12-M17 WeakPolarHBondContact CA-SD 3.4Å; E12-M17 HydrophobicContact CB-CE 4.24Å; E12-M17 HydrophobicContact CB-SD 3.64Å; E12-M17 HydrophobicContact CG-SD 3.95Å; E12-T98 WeakPolarHBondContact O-CG2 3.11Å
13T97.9Very high92.4Very high12 Ų1262 Ų627%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-129.9167.3179.485.10000110.5V11 Y15 G16 L18 M95 T98V11-T13 HydrophobicContact CG1-CG2 4.38Å; V11-T13 WeakPolarHBondContact O-CG2 3.39Å; T13-Y15 PolarHBondContact O-N 2.94Å; T13-Y15 PolarHBondContact OG1-N 3.29Å; T13-G16 WeakPolarHBondContact CB-O 3.43Å; T13-G16 PolarHBondContact N-O 2.74Å; T13-G16 PolarHBondContact O-N 2.91Å; T13-G16 VanDerWaalsContact O-N 3.13Å; T13-G16 PolarHBondContact OG1-O 3.45Å; T13-L18 HydrophobicContact CG2-CB 4.49Å; T13-L18 HydrophobicContact CG2-CD1 4.22Å; T13-L18 HydrophobicContact CG2-CG 4.23Å; T13-M95 HydrophobicContact CG2-CB 4.12Å; T13-M95 HydrophobicContact CG2-CE 4.26Å; T13-M95 WeakPolarHBondContact OG1-CE 3.38Å; T13-M95 WeakPolarHBondContact OG1-CG 3.2Å; T13-T98 HydrophobicContact CG2-CG2 4.23Å
14P94.9Very high94.2Very high95 Ų9555.6 Ų55.662%0.61730%0.295SS*.THydrogen-bonded Turntrans-57.2-17.1178.5-26.635.9000115.6
15Y96.9Very high94.6Very high99 Ų9953.4 Ų53.439%0.38828%0.284SS..THydrogen-bonded Turntrans-120.422.3-177-51.6-64.1000112.8T13 P87 Q91 M95T13-Y15 PolarHBondContact O-N 2.94Å; T13-Y15 PolarHBondContact OG1-N 3.29Å; Y15-P87 WeakPolarHBondContact O-CG 3.49Å; Y15-Q91 HydrophobicContact CD1-CB 4.11Å; Y15-Q91 HydrophobicContact CD1-CG 3.84Å; Y15-Q91 HydrophobicContact CD2-CB 3.78Å; Y15-Q91 HydrophobicContact CD2-CG 4.18Å; Y15-Q91 WeakPolarHBondContact CD2-O 3.31Å; Y15-Q91 HydrophobicContact CE1-CB 4.39Å; Y15-Q91 HydrophobicContact CE1-CG 3.76Å; Y15-Q91 HydrophobicContact CE2-CB 4.06Å; Y15-Q91 HydrophobicContact CE2-CG 4.09Å; Y15-Q91 HydrophobicContact CG-CB 3.8Å; Y15-Q91 HydrophobicContact CG-CG 4.06Å; Y15-M95 HydrophobicContact CD2-CG 3.85Å; Y15-M95 HydrophobicContact CG-CG 4.41Å
16G95.1Very high94.2Very high29 Ų2952.4 Ų52.430%0.29929%0.289SS..EExtended strand (participates in β ladder)trans110.7-174.9179.700000113.4T13 M95T13-G16 WeakPolarHBondContact CB-O 3.43Å; T13-G16 PolarHBondContact N-O 2.74Å; T13-G16 PolarHBondContact O-N 2.91Å; T13-G16 VanDerWaalsContact O-N 3.13Å; T13-G16 PolarHBondContact OG1-O 3.45Å; G16-M95 WeakPolarHBondContact O-CE 3.34Å
17M96.4Very high93.4Very high93 Ų9354.5 Ų54.546%0.45830%0.295SS..EExtended strand (participates in β ladder)trans-78.2138.3-178.4-60.1-59.5-65.600111.5D10 V11 E12D10-M17 HydrophobicContact CB-CE 3.4Å; D10-M17 VanDerWaalsContact CB-CE 3.4Å; D10-M17 VanDerWaalsContact O-CE 3.26Å; D10-M17 WeakPolarHBondContact O-CE 3.46Å; V11-M17 WeakPolarHBondContact O-CA 3.48Å; E12-M17 WeakPolarHBondContact CA-SD 3.4Å; E12-M17 HydrophobicContact CB-CE 4.24Å; E12-M17 HydrophobicContact CB-SD 3.64Å; E12-M17 HydrophobicContact CG-SD 3.95Å
18L97.7Very high92.7Very high0 Ų056.7 Ų56.70%032%0.317CS..EExtended strand (participates in β ladder)trans-109.1127.8162.1-74.9178.6000110V11 T13 V20 V68 P71 M95 L96 V99V11-L18 PolarHBondContact N-O 2.74Å; V11-L18 PolarHBondContact O-N 3.36Å; T13-L18 HydrophobicContact CG2-CB 4.49Å; T13-L18 HydrophobicContact CG2-CD1 4.22Å; T13-L18 HydrophobicContact CG2-CG 4.23Å; L18-V20 HydrophobicContact CB-CG2 4.25Å; L18-V68 HydrophobicContact CD1-CG1 4.05Å; L18-V68 HydrophobicContact CD2-CG1 4.24Å; L18-P71 HydrophobicContact CD2-CG 3.9Å; L18-M95 HydrophobicContact CD1-CB 3.59Å; L18-M95 HydrophobicContact CD1-CE 4.22Å; L18-M95 HydrophobicContact CD1-CG 4.49Å; L18-M95 HydrophobicContact CD1-SD 4.32Å; L18-M95 HydrophobicContact CD2-CE 3.76Å; L18-M95 HydrophobicContact CD2-SD 4.06Å; L18-M95 HydrophobicContact CG-CB 4.34Å; L18-M95 HydrophobicContact CG-CE 3.57Å; L18-M95 HydrophobicContact CG-SD 4.18Å; L18-L96 HydrophobicContact CD1-CD2 4.48Å; L18-V99 HydrophobicContact CB-CG2 4.49Å; L18-V99 HydrophobicContact CD1-CG2 3.71Å
19H98.4Very high92Very high16 Ų1657.7 Ų57.77%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-80127.4167.9-176.781.3000108.9E8 D10 D69 H74E8-H19 IonicContact OE2-CE1 3.87Å; E8-H19 PolarHBondContact OE2-CE1 2.65Å; E8-H19 IonicContact OE2-NE2 3.32Å; D10-H19 IonicContact OD1-CG 3.32Å; D10-H19 IonicContact OD1-ND1 2.79Å; D10-H19 PolarHBondContact OD1-ND1 2.7Å; H19-D69 HydrophobicContact CB-CB 4.29Å; H19-D69 IonicContact CD2-OD2 3.88Å; H19-D69 PolarHBondContact CD2-OD2 2.9Å; H19-D69 PolarHBondContact O-N 2.84Å; H19-H74 HydrophobicContact CB-CB 3.86Å; H19-H74 VanDerWaalsContact CD2-CB 3.47Å; H19-H74 WeakPolarHBondContact CD2-CB 3.48Å; H19-H74 AromaticContact CG-CG 3.79Å
20V98.4Very high91.7Very high0 Ų059.3 Ų59.30%033%0.332CS..EExtended strand (participates in β ladder)trans-132133.3-174.9-177.10000109.6E8 H9 V11 L18 I22 C66 H67 V68 V99 F103E8-V20 CarbonylContact C-O 3.58Å; E8-V20 WeakPolarHBondContact CA-O 3.48Å; H9-V20 PolarHBondContact N-O 3.49Å; H9-V20 PolarHBondContact O-N 2.79Å; V11-V20 HydrophobicContact CG2-CB 4.41Å; V11-V20 HydrophobicContact CG2-CG2 4Å; L18-V20 HydrophobicContact CB-CG2 4.25Å; V20-I22 HydrophobicContact CG1-CD1 3.82Å; V20-I22 HydrophobicContact CG1-CG1 4.41Å; V20-C66 WeakPolarHBondContact CG1-SG 3.44Å; V20-H67 CarbonylContact C-O 3.55Å; V20-H67 VanDerWaalsContact CA-O 3.26Å; V20-H67 WeakPolarHBondContact CA-O 3.38Å; V20-V68 HydrophobicContact CG2-CG2 4.38Å; V20-V99 HydrophobicContact CG1-CG1 4.36Å; V20-V99 HydrophobicContact CG2-CG1 4.09Å; V20-V99 HydrophobicContact CG2-CG2 4.21Å; V20-F103 HydrophobicContact CB-CE2 4.19Å; V20-F103 HydrophobicContact CB-CZ 4.41Å; V20-F103 HydrophobicContact CG1-CE2 3.77Å; V20-F103 HydrophobicContact CG1-CZ 4.2Å
21V98Very high91.6Very high0 Ų054.7 Ų54.70%031%0.307CS..EExtended strand (participates in β ladder)trans-112.6118.7174-172.20000109.4G7 E8 H43 H67G7-V21 CarbonylContact O-C 3.49Å; G7-V21 WeakPolarHBondContact O-CA 3.5Å; E8-V21 HydrophobicContact CB-CG2 4.46Å; E8-V21 HydrophobicContact CG-CG1 4.3Å; E8-V21 HydrophobicContact CG-CG2 3.9Å; V21-H43 VanDerWaalsContact CG2-CE1 3.44Å; V21-H43 WeakPolarHBondContact CG2-CE1 3.4Å; V21-H67 HydrophobicContact CB-CB 4.2Å; V21-H67 PolarHBondContact N-O 2.96Å; V21-H67 PolarHBondContact O-N 3.44Å
22I97Very high91.6Very high2 Ų254.8 Ų54.81%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-97.7133176.2-57.5-57.3000109W5 D6 G7 V20 V64 I65 C66 F103 F105W5-I22 HydrophobicContact CB-CB 4.32Å; W5-I22 HydrophobicContact CB-CG1 4.29Å; W5-I22 HydrophobicContact CB-CG2 4.01Å; W5-I22 VanDerWaalsContact O-CB 3.24Å; W5-I22 WeakPolarHBondContact O-CB 3.31Å; D6-I22 WeakPolarHBondContact CA-O 3.28Å; G7-I22 PolarHBondContact N-O 3.31Å; G7-I22 PolarHBondContact O-N 2.99Å; V20-I22 HydrophobicContact CG1-CD1 3.82Å; V20-I22 HydrophobicContact CG1-CG1 4.41Å; I22-V64 HydrophobicContact CG2-CG1 3.71Å; I22-I65 CarbonylContact C-O 3.56Å; I22-I65 WeakPolarHBondContact CA-O 3.43Å; I22-C66 HydrophobicContact CD1-CB 3.71Å; I22-F103 HydrophobicContact CD1-CD1 4.29Å; I22-F103 HydrophobicContact CD1-CD2 4.02Å; I22-F103 HydrophobicContact CD1-CE1 4.24Å; I22-F103 HydrophobicContact CD1-CE2 3.98Å; I22-F103 HydrophobicContact CD1-CG 4.19Å; I22-F103 HydrophobicContact CD1-CZ 4.09Å; I22-F103 HydrophobicContact CG1-CD1 4.01Å; I22-F103 HydrophobicContact CG1-CE1 3.69Å; I22-F103 HydrophobicContact CG1-CE2 4.24Å; I22-F103 HydrophobicContact CG1-CG 4.42Å; I22-F103 HydrophobicContact CG1-CZ 3.82Å; I22-F105 HydrophobicContact CD1-CE2 4.42Å; I22-F105 HydrophobicContact CD1-CZ 4.09Å
23R95Very high91.6Very high109 Ų10947.3 Ų47.341%0.41127%0.274SS..EExtended strand (participates in β ladder)trans-124131.1172.6-61.1-64.5-178-162.6-4111.4D6 I65D6-R23 VanDerWaalsContact OD1-CA 3.25Å; D6-R23 WeakPolarHBondContact OD1-CA 3.48Å; D6-R23 IonicContact OD2-NH1 2.82Å; D6-R23 PolarHBondContact OD2-NH1 3.27Å; R23-I65 HydrophobicContact CB-CB 4.24Å; R23-I65 PolarHBondContact N-O 3.23Å; R23-I65 PolarHBondContact O-N 3.15Å
24G88.7Confident91.7Very high35 Ų3546.7 Ų46.736%0.36127%0.27SS..SBendtrans82.3-177.2-179.700000113.3D6D6-G24 PolarHBondContact OD1-N 3.32Å
25A78.5Confident91.8Very high51 Ų5142.2 Ų42.242%0.42124%0.241SC..  trans-120.3142-174.800000111.5K27 V64A25-K27 PolarHBondContact O-N 3.36Å; A25-V64 WeakPolarHBondContact O-CG2 3.46Å
26P71.6Confident91.9Very high64 Ų6437.5 Ų37.542%0.41622%0.222SC..  trans-55.1127.4176.9-23.530.3000111.4V64P26-V64 HydrophobicContact CB-CG2 4.08Å; P26-V64 HydrophobicContact CG-CG2 3.8Å
27K74.4Confident92.1Very high116 Ų11636.1 Ų36.150%0.50421%0.208SC..  trans-117.5101177.8-70.7-175.9-176.5179.40110.4A25 K61A25-K27 PolarHBondContact O-N 3.36Å; K27-K61 WeakPolarHBondContact CE-O 3.49Å; K27-K61 PolarHBondContact NZ-O 3.28Å
28G79.4Confident92.2Very high64 Ų6431.8 Ų31.866%0.6619%0.187SC*.THydrogen-bonded Turntrans66.8-141.1178.500000112.4
29N83.2Confident92.2Very high125 Ų12531.8 Ų31.867%0.66819%0.187SC*.THydrogen-bonded Turntrans-95.919.5-179.4-77.5-29.2000113.3K106N29-K106 PolarHBondContact OD1-NZ 3.34Å
30K91.2Very high92.1Very high76 Ų7631 Ų3133%0.3318%0.183SC..PPolyproline II helixtrans-70.8146.8-179.6-68.2-179.8-179.6-1760111.1H62 F63K30-H62 WeakPolarHBondContact CD-O 3.36Å; K30-H62 PolarHBondContact NZ-O 3.46Å; K30-F63 HydrophobicContact CB-CD1 4.34Å; K30-F63 HydrophobicContact CB-CE1 4.42Å; K30-F63 HydrophobicContact CD-CD1 4.5Å; K30-F63 HydrophobicContact CD-CE1 4.37Å
31P95.6Very high92.1Very high3 Ų331 Ų312%0.01918%0.183CC..PPolyproline II helixtrans-63.7156.4172.927.7-35.6000110.9F63 S107 V109 Y288P31-F63 HydrophobicContact CG-CE1 4.45Å; P31-F63 WeakPolarHBondContact O-CD1 3.31Å; P31-S107 WeakPolarHBondContact CA-O 3.37Å; P31-S107 WeakPolarHBondContact CB-O 3.4Å; P31-V109 HydrophobicContact CB-CG2 4.18Å; P31-V109 HydrophobicContact CG-CG2 3.75Å; P31-Y288 VanDerWaalsContact CD-CZ 3.48Å; P31-Y288 WeakPolarHBondContact CD-OH 3.37Å; P31-Y288 HydrophobicContact CG-CE2 3.91Å
32A96.9Very high92.1Very high4 Ų431.1 Ų31.13%0.03318%0.184CC..EExtended strand (participates in β ladder)trans-78.7145.6165.300000109.9L34 V64 F105 S107 I108 V109A32-L34 PolarHBondContact O-N 3.44Å; A32-V64 HydrophobicContact CB-CB 4.44Å; A32-F105 HydrophobicContact CB-CB 4.49Å; A32-F105 HydrophobicContact CB-CD1 3.91Å; A32-F105 HydrophobicContact CB-CD2 3.69Å; A32-F105 HydrophobicContact CB-CE1 4.01Å; A32-F105 HydrophobicContact CB-CE2 3.8Å; A32-F105 HydrophobicContact CB-CG 3.76Å; A32-F105 HydrophobicContact CB-CZ 3.95Å; A32-S107 PolarHBondContact N-O 3.31Å; A32-I108 HydrophobicContact CB-CG2 4.47Å; A32-I108 CarbonylContact O-C 3.56Å; A32-I108 WeakPolarHBondContact O-CA 3.37Å; A32-V109 PolarHBondContact O-N 3.15Å
33I98.4Very high92.2Very high0 Ų031.3 Ų31.30%019%0.185CC..EExtended strand (participates in β ladder)trans-84.8106.2166.7-64.4172.9000106.8T35 F51 F63 V64 I65 C66 V109 I111 F279I33-T35 HydrophobicContact CG2-CG2 4.5Å; I33-F51 HydrophobicContact CG2-CE1 4.32Å; I33-F51 HydrophobicContact CG2-CZ 4.03Å; I33-F63 HydrophobicContact CD1-CB 3.73Å; I33-F63 HydrophobicContact CD1-CD1 4.33Å; I33-F63 HydrophobicContact CD1-CD2 3.82Å; I33-F63 HydrophobicContact CD1-CE2 4.49Å; I33-F63 HydrophobicContact CD1-CG 3.71Å; I33-F63 HydrophobicContact CG1-CB 3.97Å; I33-F63 HydrophobicContact CG1-CD1 4.26Å; I33-F63 HydrophobicContact CG1-CG 4.05Å; I33-V64 PolarHBondContact N-O 3.34Å; I33-I65 HydrophobicContact CB-CD1 3.77Å; I33-I65 HydrophobicContact CD1-CD1 3.79Å; I33-I65 HydrophobicContact CG1-CD1 4.21Å; I33-I65 HydrophobicContact CG2-CD1 4.34Å; I33-I65 CarbonylContact O-C 3.51Å; I33-I65 WeakPolarHBondContact O-CA 3.48Å; I33-C66 PolarHBondContact O-N 3.33Å; I33-V109 CarbonylContact C-O 3.59Å; I33-V109 VanDerWaalsContact CA-O 3.32Å; I33-V109 WeakPolarHBondContact CA-O 3.36Å; I33-I111 HydrophobicContact CG2-CD1 3.7Å; I33-I111 HydrophobicContact CG2-CG1 4.09Å; I33-F279 HydrophobicContact CD1-CE1 3.85Å; I33-F279 HydrophobicContact CD1-CZ 3.81Å; I33-F279 HydrophobicContact CG1-CZ 4.31Å; I33-F279 HydrophobicContact CG2-CZ 4.49Å
34L98.8Very high92.3Very high0 Ų029.6 Ų29.60%018%0.18CC..EExtended strand (participates in β ladder)trans-98.4129.2-180-172.6151.1000109.9A32 C66 V68 V99 V100 I108 V109 G110 I111 L120A32-L34 PolarHBondContact O-N 3.44Å; L34-C66 CarbonylContact C-O 3.34Å; L34-C66 VanDerWaalsContact CA-O 3.26Å; L34-C66 WeakPolarHBondContact CA-O 3.21Å; L34-C66 HydrophobicContact CB-CB 4.45Å; L34-C66 HydrophobicContact CG-CB 4.44Å; L34-V68 HydrophobicContact CD1-CG2 4.2Å; L34-V68 HydrophobicContact CD2-CG2 4.06Å; L34-V68 HydrophobicContact CG-CG2 4.07Å; L34-V99 HydrophobicContact CD1-CG1 4.48Å; L34-V100 HydrophobicContact CD1-CG2 4.33Å; L34-I108 HydrophobicContact CB-CB 4.05Å; L34-I108 HydrophobicContact CB-CD1 3.89Å; L34-I108 HydrophobicContact CB-CG2 3.9Å; L34-I108 HydrophobicContact CD1-CD1 4.47Å; L34-I108 HydrophobicContact CD1-CG2 4.14Å; L34-I108 HydrophobicContact CD2-CD1 4.41Å; L34-I108 HydrophobicContact CG-CD1 4.49Å; L34-V109 PolarHBondContact N-O 2.92Å; L34-G110 CarbonylContact O-C 3.56Å; L34-G110 VanDerWaalsContact O-CA 3.3Å; L34-G110 WeakPolarHBondContact O-CA 3.44Å; L34-I111 PolarHBondContact O-N 2.82Å; L34-L120 HydrophobicContact CD2-CD2 3.59Å
35T98.9Very high92.7Very high0 Ų028.3 Ų28.30%017%0.165CC..EExtended strand (participates in β ladder)trans-113.5142.4179.877.10000112.2I33 F47 F51 I65 C66 H67 V68 I111I33-T35 HydrophobicContact CG2-CG2 4.5Å; T35-F47 VanDerWaalsContact CB-CE2 3.5Å; T35-F47 HydrophobicContact CG2-CD2 4.41Å; T35-F47 HydrophobicContact CG2-CG 4.48Å; T35-F47 WeakPolarHBondContact OG1-CD2 3.47Å; T35-F47 WeakPolarHBondContact OG1-CE2 3.45Å; T35-F51 HydrophobicContact CG2-CE2 3.7Å; T35-F51 HydrophobicContact CG2-CZ 3.65Å; T35-I65 HydrophobicContact CG2-CG2 4.45Å; T35-C66 PolarHBondContact N-O 3.23Å; T35-H67 WeakPolarHBondContact OG1-CA 3.4Å; T35-H67 PolarHBondContact OG1-ND1 2.93Å; T35-V68 PolarHBondContact O-N 3.27Å; T35-I111 CarbonylContact C-O 3.53Å; T35-I111 WeakPolarHBondContact CA-O 3.43Å; T35-I111 HydrophobicContact CG2-CB 4.37Å
36Y98.9Very high93.7Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-133.1123.6173.3-148.5-62.9000110.1F47 V68 A70 L96 I111 G112 V113 G116 I119Y36-F47 WeakPolarHBondContact O-CZ 3.43Å; Y36-V68 HydrophobicContact CD2-CB 4.11Å; Y36-V68 HydrophobicContact CD2-CG1 3.99Å; Y36-V68 HydrophobicContact CE2-CB 4.34Å; Y36-V68 HydrophobicContact CE2-CG1 3.7Å; Y36-A70 HydrophobicContact CE1-CB 3.9Å; Y36-L96 HydrophobicContact CD2-CD1 4.38Å; Y36-L96 HydrophobicContact CD2-CD2 4.11Å; Y36-L96 HydrophobicContact CE2-CD2 4.02Å; Y36-I111 PolarHBondContact N-O 2.7Å; Y36-G112 WeakPolarHBondContact O-CA 3.4Å; Y36-V113 PolarHBondContact O-N 3Å; Y36-G116 WeakPolarHBondContact O-CA 3.3Å; Y36-I119 HydrophobicContact CD1-CD1 3.97Å; Y36-I119 HydrophobicContact CD2-CG2 4Å; Y36-I119 HydrophobicContact CE1-CD1 3.39Å; Y36-I119 HydrophobicContact CE2-CD1 4.36Å; Y36-I119 HydrophobicContact CE2-CG2 3.83Å; Y36-I119 HydrophobicContact CG-CG2 4.48Å
37H98.9Very high95Very high0 Ų022.9 Ų22.90%013%0.125CC..PPolyproline II helixtrans-82.2170-171.765.879.9000113.3L41 C46 F47 V68 D69 A70 G116 F201H37-L41 HydrophobicContact CB-CB 4.37Å; H37-L41 PolarHBondContact CE1-O 2.91Å; H37-L41 PolarHBondContact ND1-O 3.1Å; H37-C46 HydrophobicContact CB-CB 3.53Å; H37-F47 HydrophobicContact CB-CE2 3.93Å; H37-V68 PolarHBondContact CD2-O 3.32Å; H37-D69 IonicContact CD2-OD1 2.71Å; H37-D69 IonicContact NE2-OD1 2.64Å; H37-A70 PolarHBondContact NE2-N 2.75Å; H37-G116 WeakPolarHBondContact O-CA 3.4Å; H37-G116 PolarHBondContact O-N 2.9Å; H37-G116 VanDerWaalsContact O-N 3.15Å; H37-F201 AromaticContact CE1-CE1 3.99Å
38D98.6Very high96Very high2 Ų220 Ų201%0.01112%0.115CC..PPolyproline II helixtrans-86.4169.2173.9-155.50.2000112.6L41 V113 A115 H168 L169D38-L41 HydrophobicContact CB-CD1 4.12Å; D38-L41 WeakPolarHBondContact O-CB 3.45Å; D38-L41 PolarHBondContact O-N 3.41Å; D38-V113 WeakPolarHBondContact CA-O 3.47Å; D38-V113 HydrophobicContact CB-CB 4.16Å; D38-V113 HydrophobicContact CB-CG1 4.06Å; D38-V113 WeakPolarHBondContact CB-O 3.41Å; D38-V113 PolarHBondContact N-O 2.9Å; D38-A115 WeakPolarHBondContact OD1-CB 3.32Å; D38-A115 PolarHBondContact OD1-N 3.13Å; D38-H168 IonicContact OD1-NE2 3.54Å; D38-H168 PolarHBondContact OD1-NE2 2.88Å; D38-H168 IonicContact OD2-CD2 3.47Å; D38-H168 IonicContact OD2-CE1 3.8Å; D38-H168 IonicContact OD2-NE2 2.98Å; D38-H168 PolarHBondContact OD2-NE2 3.08Å; D38-L169 HydrophobicContact CB-CD2 4.22Å
39V97.5Very high96.8Very high0 Ų019.6 Ų19.60%010%0.101CC..THydrogen-bonded Turntrans-63.1140.2174.2-169.70000110.9L41 A115 L198 F201 W202 Y205V39-L41 PolarHBondContact O-N 3.16Å; V39-A115 HydrophobicContact CG2-CB 3.72Å; V39-L198 HydrophobicContact CG1-CD1 3.6Å; V39-F201 HydrophobicContact CB-CD1 4.21Å; V39-F201 HydrophobicContact CB-CE1 4.2Å; V39-F201 HydrophobicContact CG1-CD1 4Å; V39-F201 HydrophobicContact CG1-CE1 4.49Å; V39-F201 HydrophobicContact CG1-CG 4.47Å; V39-F201 HydrophobicContact CG2-CD1 3.95Å; V39-F201 HydrophobicContact CG2-CE1 3.77Å; V39-F201 HydrophobicContact CG2-CE2 4.37Å; V39-F201 HydrophobicContact CG2-CG 4.33Å; V39-F201 HydrophobicContact CG2-CZ 4Å; V39-W202 HydrophobicContact CB-CE3 4.01Å; V39-W202 HydrophobicContact CG1-CB 3.85Å; V39-W202 HydrophobicContact CG1-CD2 4.41Å; V39-W202 HydrophobicContact CG1-CE3 3.67Å; V39-W202 HydrophobicContact CG2-CE3 4.43Å; V39-Y205 HydrophobicContact CG2-CD1 3.94Å; V39-Y205 HydrophobicContact CG2-CG 3.95Å
40G96.8Very high97.6Very high0 Ų013.8 Ų13.80%07%0.07CC..THydrogen-bonded Turntrans81.40.4-175.500000113.9I189 I193 L198G40-I189 WeakPolarHBondContact O-CG1 3.18Å; G40-I193 VanDerWaalsContact C-CD1 3.48Å; G40-I193 WeakPolarHBondContact O-CD1 3.25Å; G40-L198 VanDerWaalsContact N-CD1 3.28Å
41L97.9Very high97.9Very high0 Ų010.6 Ų10.60%06%0.056CC..  trans-120.4172.3176-51.5-177000109.8H37 D38 V39 M45 C46 L169 Y185H37-L41 HydrophobicContact CB-CB 4.37Å; H37-L41 PolarHBondContact CE1-O 2.91Å; H37-L41 PolarHBondContact ND1-O 3.1Å; D38-L41 HydrophobicContact CB-CD1 4.12Å; D38-L41 WeakPolarHBondContact O-CB 3.45Å; D38-L41 PolarHBondContact O-N 3.41Å; V39-L41 PolarHBondContact O-N 3.16Å; L41-M45 HydrophobicContact CB-CB 4.3Å; L41-M45 HydrophobicContact CD2-CB 4.12Å; L41-M45 HydrophobicContact CD2-CE 4.01Å; L41-C46 HydrophobicContact CB-CB 4.02Å; L41-C46 HydrophobicContact CD1-CB 3.85Å; L41-L169 HydrophobicContact CD1-CD2 4.2Å; L41-L169 HydrophobicContact CD2-CD1 3.92Å; L41-L169 HydrophobicContact CG-CD1 4.29Å; L41-L169 HydrophobicContact CG-CD2 4.28Å; L41-Y185 HydrophobicContact CD2-CD1 3.58Å; L41-Y185 HydrophobicContact CD2-CE1 3.45Å; L41-Y185 VanDerWaalsContact CD2-CE1 3.45Å
42N97.9Very high97.9Very high3 Ų315.6 Ų15.62%0.0168%0.083CC..  trans-132-177.5158.759.931.9000108.1K44 M45 C46 Q73N42-K44 PolarHBondContact O-N 2.97Å; N42-K44 WeakPolarHBondContact OD1-CB 3.22Å; N42-K44 PolarHBondContact OD1-N 2.97Å; N42-K44 VanDerWaalsContact OD1-N 3.07Å; N42-M45 PolarHBondContact O-N 3.29Å; N42-M45 PolarHBondContact OD1-N 3.03Å; N42-C46 WeakPolarHBondContact O-CB 3.26Å; N42-C46 PolarHBondContact O-N 3.04Å; N42-Q73 WeakPolarHBondContact CB-O 3.34Å
43H98.3Very high97.9Very high5 Ų517 Ų172%0.0239%0.09CC..Hα-helixtrans-57.4-37.5-178.273.9-84.6000112.9V21 C46 F47 H67 D69V21-H43 VanDerWaalsContact CG2-CE1 3.44Å; V21-H43 WeakPolarHBondContact CG2-CE1 3.4Å; H43-C46 PolarHBondContact O-N 2.85Å; H43-F47 HydrophobicContact CB-CD2 4.4Å; H43-F47 WeakPolarHBondContact O-CB 3.27Å; H43-F47 PolarHBondContact O-N 3.1Å; H43-H67 HydrophobicContact CB-CB 3.67Å; H43-D69 WeakPolarHBondContact CB-OD1 3.45Å; H43-D69 IonicContact CE1-OD2 3.55Å; H43-D69 PolarHBondContact CE1-OD2 3.21Å; H43-D69 IonicContact CG-OD1 3.34Å; H43-D69 PolarHBondContact N-OD1 3.37Å; H43-D69 IonicContact ND1-OD1 3.41Å; H43-D69 PolarHBondContact ND1-OD1 2.89Å; H43-D69 IonicContact ND1-OD2 2.7Å; H43-D69 PolarHBondContact ND1-OD2 2.96Å
44K97.5Very high97.8Very high74 Ų7424.6 Ų24.632%0.32213%0.125SC..Hα-helixtrans-64.4-51.6179.9-62.7-176.5179.3166.30110.5E8 N42 C46 N48 V75E8-K44 IonicContact OE1-NZ 2.74Å; N42-K44 PolarHBondContact O-N 2.97Å; N42-K44 WeakPolarHBondContact OD1-CB 3.22Å; N42-K44 PolarHBondContact OD1-N 2.97Å; N42-K44 VanDerWaalsContact OD1-N 3.07Å; K44-C46 VanDerWaalsContact C-N 3.32Å; K44-C46 PolarHBondContact O-N 3.32Å; K44-N48 WeakPolarHBondContact CA-ND2 3.14Å; K44-N48 WeakPolarHBondContact CB-ND2 3.36Å; K44-N48 WeakPolarHBondContact O-CB 3.43Å; K44-N48 VanDerWaalsContact O-CG 3.27Å; K44-N48 PolarHBondContact O-N 2.85Å; K44-N48 VanDerWaalsContact O-N 3.16Å; K44-V75 HydrophobicContact CD-CG2 4.2Å
45M97.7Very high97.6Very high8 Ų826.7 Ų26.74%0.03914%0.136CC..Hα-helixtrans-68.3-31.4180-62.9174.663.600112.5L41 N42 Y185 Q188 I189 I193L41-M45 HydrophobicContact CB-CB 4.3Å; L41-M45 HydrophobicContact CD2-CB 4.12Å; L41-M45 HydrophobicContact CD2-CE 4.01Å; N42-M45 PolarHBondContact O-N 3.29Å; N42-M45 PolarHBondContact OD1-N 3.03Å; M45-Y185 HydrophobicContact CB-CE1 4.09Å; M45-Y185 HydrophobicContact CE-CD1 3.81Å; M45-Y185 HydrophobicContact CE-CE1 4.04Å; M45-Y185 PolarHBondContact O-OH 2.84Å; M45-Q188 HydrophobicContact CE-CB 3.59Å; M45-Q188 HydrophobicContact SD-CB 4.23Å; M45-I189 HydrophobicContact CE-CG1 4.1Å; M45-I193 HydrophobicContact CE-CD1 4.28Å; M45-I193 HydrophobicContact SD-CD1 3.86Å; M45-I193 HydrophobicContact SD-CG1 4.22Å
46C98.5Very high97.4Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-86.6-33.8-174.1-167.50000113H37 L41 N42 H43 K44 V113 Q268H37-C46 HydrophobicContact CB-CB 3.53Å; L41-C46 HydrophobicContact CB-CB 4.02Å; L41-C46 HydrophobicContact CD1-CB 3.85Å; N42-C46 WeakPolarHBondContact O-CB 3.26Å; N42-C46 PolarHBondContact O-N 3.04Å; H43-C46 PolarHBondContact O-N 2.85Å; K44-C46 VanDerWaalsContact C-N 3.32Å; K44-C46 PolarHBondContact O-N 3.32Å; C46-V113 WeakPolarHBondContact SG-CG2 3.4Å; C46-Q268 WeakPolarHBondContact O-CG 3.39Å; C46-Q268 PolarHBondContact O-NE2 3.45Å
47F98.6Very high97.2Very high1 Ų130.4 Ų30.40%0.00415%0.154CC..Hα-helixtrans-129.1-18.7-164.2-61.6-61.5000115.1T35 Y36 H37 H43 F50 F51 I111 V113T35-F47 VanDerWaalsContact CB-CE2 3.5Å; T35-F47 HydrophobicContact CG2-CD2 4.41Å; T35-F47 HydrophobicContact CG2-CG 4.48Å; T35-F47 WeakPolarHBondContact OG1-CD2 3.47Å; T35-F47 WeakPolarHBondContact OG1-CE2 3.45Å; Y36-F47 WeakPolarHBondContact O-CZ 3.43Å; H37-F47 HydrophobicContact CB-CE2 3.93Å; H43-F47 HydrophobicContact CB-CD2 4.4Å; H43-F47 WeakPolarHBondContact O-CB 3.27Å; H43-F47 PolarHBondContact O-N 3.1Å; F47-F50 WeakPolarHBondContact O-CB 3.39Å; F47-F50 PolarHBondContact O-N 3.05Å; F47-F50 VanDerWaalsContact O-N 3.08Å; F47-F51 HydrophobicContact CB-CD2 3.77Å; F47-F51 HydrophobicContact CB-CE2 3.97Å; F47-F51 HydrophobicContact CD1-CE2 4.29Å; F47-F51 HydrophobicContact CG-CE2 4.32Å; F47-F51 WeakPolarHBondContact O-CD2 3.31Å; F47-F51 PolarHBondContact O-N 3.44Å; F47-I111 HydrophobicContact CE1-CG2 4.1Å; F47-V113 HydrophobicContact CE1-CG2 3.66Å; F47-V113 HydrophobicContact CZ-CG2 3.88Å
48N96.6Very high96.9Very high55 Ų5533.3 Ų33.329%0.29417%0.167SC..Hα-helixtrans-57-45.8-177.8-75-2.5000113.1K44 F50 F51 N52K44-N48 WeakPolarHBondContact CA-ND2 3.14Å; K44-N48 WeakPolarHBondContact CB-ND2 3.36Å; K44-N48 WeakPolarHBondContact O-CB 3.43Å; K44-N48 VanDerWaalsContact O-CG 3.27Å; K44-N48 PolarHBondContact O-N 2.85Å; K44-N48 VanDerWaalsContact O-N 3.16Å; N48-F50 PolarHBondContact O-N 3.39Å; N48-F51 PolarHBondContact O-N 3.18Å; N48-N52 WeakPolarHBondContact O-CB 3.46Å; N48-N52 PolarHBondContact O-N 3.07Å; N48-N52 PolarHBondContact O-ND2 3.2Å
49P96.8Very high96.7Very high55 Ų5533.3 Ų33.336%0.35717%0.167SC..Hα-helixtrans-60.1-35.7178.3-29.141.2000113.3N53 L269P49-N53 PolarHBondContact O-N 3.26Å; P49-L269 HydrophobicContact CB-CD2 4.02Å; P49-L269 HydrophobicContact CG-CD2 3.71Å
50F98.3Very high96.4Very high3 Ų334.4 Ų34.41%0.01317%0.174CC..Hα-helixtrans-70.5-50.9176.8176.5-121.3000112.3F47 N48 N52 N53 M56 I111 Q268 P272 L275 T276 F279F47-F50 WeakPolarHBondContact O-CB 3.39Å; F47-F50 PolarHBondContact O-N 3.05Å; F47-F50 VanDerWaalsContact O-N 3.08Å; N48-F50 PolarHBondContact O-N 3.39Å; F50-N52 VanDerWaalsContact C-N 3.34Å; F50-N52 PolarHBondContact O-N 2.81Å; F50-N53 VanDerWaalsContact O-CB 3.26Å; F50-N53 WeakPolarHBondContact O-CB 3.48Å; F50-N53 PolarHBondContact O-N 2.89Å; F50-M56 HydrophobicContact CE1-CE 3.95Å; F50-M56 HydrophobicContact CE1-CG 4.47Å; F50-M56 HydrophobicContact CE1-SD 4.03Å; F50-M56 HydrophobicContact CE2-SD 4.17Å; F50-M56 HydrophobicContact CZ-CE 4.12Å; F50-M56 HydrophobicContact CZ-CG 4.38Å; F50-M56 HydrophobicContact CZ-SD 3.67Å; F50-M56 VanDerWaalsContact O-CB 3.27Å; F50-M56 WeakPolarHBondContact O-CB 3.38Å; F50-M56 WeakPolarHBondContact O-CG 3.41Å; F50-I111 HydrophobicContact CE1-CD1 4.05Å; F50-Q268 HydrophobicContact CB-CB 4.19Å; F50-Q268 HydrophobicContact CG-CB 4.49Å; F50-P272 HydrophobicContact CD2-CB 4.39Å; F50-L275 HydrophobicContact CD2-CB 4.37Å; F50-L275 HydrophobicContact CD2-CD2 3.84Å; F50-L275 HydrophobicContact CD2-CG 4.16Å; F50-L275 HydrophobicContact CE2-CB 4.02Å; F50-L275 HydrophobicContact CE2-CD2 3.77Å; F50-L275 HydrophobicContact CE2-CG 3.65Å; F50-L275 HydrophobicContact CG-CD2 4.38Å; F50-L275 HydrophobicContact CZ-CD2 4.26Å; F50-L275 HydrophobicContact CZ-CG 4.16Å; F50-T276 VanDerWaalsContact CE2-OG1 3.31Å; F50-T276 WeakPolarHBondContact CE2-OG1 3.28Å; F50-F279 HydrophobicContact CZ-CB 4.37Å; F50-F279 HydrophobicContact CZ-CD1 4.29Å; F50-F279 HydrophobicContact CZ-CG 4.46Å
51F97.9Very high96.2Very high9 Ų939.3 Ų39.34%0.03920%0.195CC..Hα-helixtrans-73.9-22.8-178.1-78.4-90.9000113.5I33 T35 F47 N48 N53 M56 Q57 T60 I65 H67 I111I33-F51 HydrophobicContact CG2-CE1 4.32Å; I33-F51 HydrophobicContact CG2-CZ 4.03Å; T35-F51 HydrophobicContact CG2-CE2 3.7Å; T35-F51 HydrophobicContact CG2-CZ 3.65Å; F47-F51 HydrophobicContact CB-CD2 3.77Å; F47-F51 HydrophobicContact CB-CE2 3.97Å; F47-F51 HydrophobicContact CD1-CE2 4.29Å; F47-F51 HydrophobicContact CG-CE2 4.32Å; F47-F51 WeakPolarHBondContact O-CD2 3.31Å; F47-F51 PolarHBondContact O-N 3.44Å; N48-F51 PolarHBondContact O-N 3.18Å; F51-N53 VanDerWaalsContact C-N 3.32Å; F51-M56 HydrophobicContact CD1-CE 3.84Å; F51-M56 HydrophobicContact CD1-CG 4.29Å; F51-M56 HydrophobicContact CE1-CE 3.5Å; F51-M56 VanDerWaalsContact CE1-CE 3.5Å; F51-M56 HydrophobicContact CZ-CE 4.15Å; F51-Q57 PolarHBondContact O-NE2 2.85Å; F51-T60 HydrophobicContact CD1-CG2 3.65Å; F51-T60 HydrophobicContact CE1-CG2 4.18Å; F51-I65 HydrophobicContact CD1-CD1 4.43Å; F51-I65 HydrophobicContact CD1-CG1 4.27Å; F51-I65 HydrophobicContact CD1-CG2 4.09Å; F51-I65 HydrophobicContact CE1-CB 4.45Å; F51-I65 HydrophobicContact CE1-CD1 3.84Å; F51-I65 HydrophobicContact CE1-CG1 4.04Å; F51-I65 HydrophobicContact CE1-CG2 3.57Å; F51-I65 HydrophobicContact CZ-CG2 3.86Å; F51-H67 AromaticContact CD2-CE1 3.87Å; F51-H67 AromaticContact CE2-CE1 3.83Å; F51-I111 HydrophobicContact CZ-CD1 4.1Å
52N96.6Very high95.9Very high109 Ų10942.1 Ų42.158%0.58321%0.208SC*.THydrogen-bonded Turntrans-84-5.2174.1-67.9-19000113.4N48 F50 E54N48-N52 WeakPolarHBondContact O-CB 3.46Å; N48-N52 PolarHBondContact O-N 3.07Å; N48-N52 PolarHBondContact O-ND2 3.2Å; F50-N52 VanDerWaalsContact C-N 3.34Å; F50-N52 PolarHBondContact O-N 2.81Å; N52-E54 PolarHBondContact O-N 3.36Å
53N97.1Very high95.7Very high34 Ų3442.2 Ų42.218%0.18221%0.209CC..SBendtrans-60.7136.7171.7-178.1-87.4000110.5P49 F50 F51 D55 M56 Q57 P272P49-N53 PolarHBondContact O-N 3.26Å; F50-N53 VanDerWaalsContact O-CB 3.26Å; F50-N53 WeakPolarHBondContact O-CB 3.48Å; F50-N53 PolarHBondContact O-N 2.89Å; F51-N53 VanDerWaalsContact C-N 3.32Å; N53-D55 VanDerWaalsContact C-N 3.32Å; N53-D55 PolarHBondContact O-N 3.45Å; N53-D55 WeakPolarHBondContact OD1-CB 3.36Å; N53-D55 PolarHBondContact OD1-N 3.08Å; N53-M56 HydrophobicContact CB-CB 4.03Å; N53-M56 WeakPolarHBondContact O-CA 3.35Å; N53-M56 WeakPolarHBondContact O-CB 3.37Å; N53-M56 PolarHBondContact O-N 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.35Å; N53-Q57 PolarHBondContact O-N 2.85Å; N53-P272 HydrophobicContact CB-CB 4.27Å
54E95.4Very high95.6Very high158 Ų15842.3 Ų42.374%0.73821%0.209SC*.Hα-helixtrans-57.6-42-175.6-64.4-175176.700113.1N52 M56 Q57 E58N52-E54 PolarHBondContact O-N 3.36Å; E54-M56 VanDerWaalsContact C-N 3.27Å; E54-M56 PolarHBondContact O-N 3.3Å; E54-Q57 WeakPolarHBondContact O-CB 3.44Å; E54-Q57 PolarHBondContact O-N 3.39Å; E54-E58 PolarHBondContact O-N 3.26Å
55D93.8Very high95.6Very high44 Ų4439 Ų3924%0.23520%0.195CC..Hα-helixtrans-69.2-31.3178.9-66.4-38.5000110.6N53 E58 T276 R296N53-D55 VanDerWaalsContact C-N 3.32Å; N53-D55 PolarHBondContact O-N 3.45Å; N53-D55 WeakPolarHBondContact OD1-CB 3.36Å; N53-D55 PolarHBondContact OD1-N 3.08Å; D55-E58 PolarHBondContact O-N 3.49Å; D55-T276 HydrophobicContact CB-CG2 3.68Å; D55-R296 IonicContact OD2-CZ 2.74Å; D55-R296 IonicContact OD2-NE 3.5Å; D55-R296 IonicContact OD2-NH2 2.65Å; D55-R296 PolarHBondContact OD2-NH2 3.49Å
56M96.4Very high95.6Very high0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-72.9-34.1178.2-168.558.1-161.900110.9F50 F51 N53 E54 E58 I59 T60 T276 F279F50-M56 HydrophobicContact CE1-CE 3.95Å; F50-M56 HydrophobicContact CE1-CG 4.47Å; F50-M56 HydrophobicContact CE1-SD 4.03Å; F50-M56 HydrophobicContact CE2-SD 4.17Å; F50-M56 HydrophobicContact CZ-CE 4.12Å; F50-M56 HydrophobicContact CZ-CG 4.38Å; F50-M56 HydrophobicContact CZ-SD 3.67Å; F50-M56 VanDerWaalsContact O-CB 3.27Å; F50-M56 WeakPolarHBondContact O-CB 3.38Å; F50-M56 WeakPolarHBondContact O-CG 3.41Å; F51-M56 HydrophobicContact CD1-CE 3.84Å; F51-M56 HydrophobicContact CD1-CG 4.29Å; F51-M56 HydrophobicContact CE1-CE 3.5Å; F51-M56 VanDerWaalsContact CE1-CE 3.5Å; F51-M56 HydrophobicContact CZ-CE 4.15Å; N53-M56 HydrophobicContact CB-CB 4.03Å; N53-M56 WeakPolarHBondContact O-CA 3.35Å; N53-M56 WeakPolarHBondContact O-CB 3.37Å; N53-M56 PolarHBondContact O-N 3.31Å; E54-M56 VanDerWaalsContact C-N 3.27Å; E54-M56 PolarHBondContact O-N 3.3Å; M56-E58 PolarHBondContact O-N 2.94Å; M56-I59 HydrophobicContact CE-CB 4.42Å; M56-I59 HydrophobicContact CE-CG2 4.22Å; M56-I59 WeakPolarHBondContact O-CA 3.24Å; M56-I59 WeakPolarHBondContact O-CB 3.41Å; M56-I59 PolarHBondContact O-N 3.15Å; M56-I59 HydrophobicContact SD-CB 4.2Å; M56-I59 HydrophobicContact SD-CD1 3.89Å; M56-T60 HydrophobicContact CE-CG2 4.18Å; M56-T60 HydrophobicContact CG-CG2 4.38Å; M56-T60 WeakPolarHBondContact O-CG2 3.48Å; M56-T60 PolarHBondContact O-N 3.28Å; M56-T276 HydrophobicContact CB-CG2 3.85Å; M56-T276 VanDerWaalsContact N-CG2 3.35Å; M56-T276 HydrophobicContact SD-CG2 4.12Å; M56-F279 HydrophobicContact CE-CD1 3.66Å; M56-F279 HydrophobicContact CE-CE1 3.48Å; M56-F279 VanDerWaalsContact CE-CE1 3.48Å; M56-F279 HydrophobicContact SD-CD1 3.82Å; M56-F279 HydrophobicContact SD-CE1 4.25Å
57Q94.4Very high95.6Very high79 Ų7939 Ų3937%0.36920%0.195SC..Hα-helixtrans-62.1-28.8174.3-72-71.8-29.600112.7F51 N53 E54 I59 T60 K61F51-Q57 PolarHBondContact O-NE2 2.85Å; N53-Q57 WeakPolarHBondContact O-CG 3.35Å; N53-Q57 PolarHBondContact O-N 2.85Å; E54-Q57 WeakPolarHBondContact O-CB 3.44Å; E54-Q57 PolarHBondContact O-N 3.39Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; Q57-T60 WeakPolarHBondContact CA-OG1 3.35Å; Q57-T60 PolarHBondContact O-OG1 3.38Å; Q57-T60 VanDerWaalsContact O-OG1 3.1Å; Q57-K61 WeakPolarHBondContact O-CG 3.17Å; Q57-K61 PolarHBondContact O-N 2.96Å
58E93Very high95.6Very high60 Ų6039 Ų3928%0.2820%0.195SC..Hα-helixtrans-68.1-34.7171-64.2-56.9142.600112E54 D55 M56 K61 H62E54-E58 PolarHBondContact O-N 3.26Å; D55-E58 PolarHBondContact O-N 3.49Å; M56-E58 PolarHBondContact O-N 2.94Å; E58-K61 IonicContact OE1-NZ 3.14Å; E58-K61 PolarHBondContact OE1-NZ 3.48Å; E58-K61 IonicContact OE2-NZ 2.63Å; E58-K61 PolarHBondContact OE2-NZ 2.88Å; E58-H62 PolarHBondContact O-CD2 2.95Å; E58-H62 VanDerWaalsContact O-CD2 3.29Å
59I93Very high95.7Very high2 Ų236.3 Ų36.31%0.0118%0.181CC..Hα-helixtrans-71.2-48.4175.9-60.3175000110.3M56 Q57 K61 H62 F63 T276 F279 K280 L283 I289M56-I59 HydrophobicContact CE-CB 4.42Å; M56-I59 HydrophobicContact CE-CG2 4.22Å; M56-I59 WeakPolarHBondContact O-CA 3.24Å; M56-I59 WeakPolarHBondContact O-CB 3.41Å; M56-I59 PolarHBondContact O-N 3.15Å; M56-I59 HydrophobicContact SD-CB 4.2Å; M56-I59 HydrophobicContact SD-CD1 3.89Å; Q57-I59 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.5Å; I59-K61 VanDerWaalsContact O-N 3.16Å; I59-H62 WeakPolarHBondContact O-CB 3.43Å; I59-H62 PolarHBondContact O-N 3.34Å; I59-F63 HydrophobicContact CG2-CD2 4.04Å; I59-F63 HydrophobicContact CG2-CE2 4Å; I59-F63 WeakPolarHBondContact O-CD2 3.36Å; I59-T276 HydrophobicContact CD1-CG2 4Å; I59-F279 HydrophobicContact CD1-CD1 4.13Å; I59-F279 HydrophobicContact CG2-CD1 4.44Å; I59-F279 HydrophobicContact CG2-CE1 4.08Å; I59-K280 HydrophobicContact CD1-CB 3.91Å; I59-K280 HydrophobicContact CD1-CG 4.49Å; I59-L283 HydrophobicContact CG2-CD1 3.61Å; I59-I289 HydrophobicContact CG1-CD1 4.15Å; I59-I289 HydrophobicContact CG2-CD1 4.26Å
60T92.9Very high95.8Very high23 Ų2333.7 Ų33.714%0.14116%0.164CC..Hα-helixtrans-62-25.4-175.260.40000113.1F51 M56 Q57 H62 F63 I65F51-T60 HydrophobicContact CD1-CG2 3.65Å; F51-T60 HydrophobicContact CE1-CG2 4.18Å; M56-T60 HydrophobicContact CE-CG2 4.18Å; M56-T60 HydrophobicContact CG-CG2 4.38Å; M56-T60 WeakPolarHBondContact O-CG2 3.48Å; M56-T60 PolarHBondContact O-N 3.28Å; Q57-T60 WeakPolarHBondContact CA-OG1 3.35Å; Q57-T60 PolarHBondContact O-OG1 3.38Å; Q57-T60 VanDerWaalsContact O-OG1 3.1Å; T60-H62 PolarHBondContact O-N 3.43Å; T60-F63 PolarHBondContact O-N 3.46Å; T60-I65 HydrophobicContact CG2-CD1 3.96Å; T60-I65 HydrophobicContact CG2-CG1 4.06Å
61K91.1Very high95.8Very high103 Ų10333.8 Ų33.845%0.44817%0.165SC..THydrogen-bonded Turntrans-54.7-21.2171-73.3169.4-162.51780113.6K27 Q57 E58 I59K27-K61 WeakPolarHBondContact CE-O 3.49Å; K27-K61 PolarHBondContact NZ-O 3.28Å; Q57-K61 WeakPolarHBondContact O-CG 3.17Å; Q57-K61 PolarHBondContact O-N 2.96Å; E58-K61 IonicContact OE1-NZ 3.14Å; E58-K61 PolarHBondContact OE1-NZ 3.48Å; E58-K61 IonicContact OE2-NZ 2.63Å; E58-K61 PolarHBondContact OE2-NZ 2.88Å; I59-K61 PolarHBondContact O-N 3.5Å; I59-K61 VanDerWaalsContact O-N 3.16Å
62H91.8Very high95.8Very high60 Ų6033.6 Ų33.628%0.27817%0.165SC..THydrogen-bonded Turntrans-102.7-10.5-174.5-67.4-66.5000114.9K30 E58 I59 T60 I289K30-H62 WeakPolarHBondContact CD-O 3.36Å; K30-H62 PolarHBondContact NZ-O 3.46Å; E58-H62 PolarHBondContact O-CD2 2.95Å; E58-H62 VanDerWaalsContact O-CD2 3.29Å; I59-H62 WeakPolarHBondContact O-CB 3.43Å; I59-H62 PolarHBondContact O-N 3.34Å; T60-H62 PolarHBondContact O-N 3.43Å; H62-I289 HydrophobicContact CB-CG2 3.87Å
63F94.3Very high95.9Very high5 Ų528.5 Ų28.52%0.02214%0.138CC..SBendtrans-133.4157.4-172.6-61.8-86.8000111K30 P31 I33 I59 T60 I65 L283 Y288 I289K30-F63 HydrophobicContact CB-CD1 4.34Å; K30-F63 HydrophobicContact CB-CE1 4.42Å; K30-F63 HydrophobicContact CD-CD1 4.5Å; K30-F63 HydrophobicContact CD-CE1 4.37Å; P31-F63 HydrophobicContact CG-CE1 4.45Å; P31-F63 WeakPolarHBondContact O-CD1 3.31Å; I33-F63 HydrophobicContact CD1-CB 3.73Å; I33-F63 HydrophobicContact CD1-CD1 4.33Å; I33-F63 HydrophobicContact CD1-CD2 3.82Å; I33-F63 HydrophobicContact CD1-CE2 4.49Å; I33-F63 HydrophobicContact CD1-CG 3.71Å; I33-F63 HydrophobicContact CG1-CB 3.97Å; I33-F63 HydrophobicContact CG1-CD1 4.26Å; I33-F63 HydrophobicContact CG1-CG 4.05Å; I59-F63 HydrophobicContact CG2-CD2 4.04Å; I59-F63 HydrophobicContact CG2-CE2 4Å; I59-F63 WeakPolarHBondContact O-CD2 3.36Å; T60-F63 PolarHBondContact O-N 3.46Å; F63-I65 HydrophobicContact CB-CD1 4.23Å; F63-L283 HydrophobicContact CE2-CD1 3.78Å; F63-L283 HydrophobicContact CZ-CD1 3.97Å; F63-L283 HydrophobicContact CZ-CD2 4.1Å; F63-Y288 HydrophobicContact CE1-CG 4.31Å; F63-Y288 HydrophobicContact CZ-CG 4.19Å; F63-I289 HydrophobicContact CE2-CG2 3.64Å; F63-I289 HydrophobicContact CZ-CG2 4.04Å
64V95.2Very high95.8Very high6 Ų629.2 Ų29.24%0.03614%0.14CC..  trans-84.3135.8161.9174.90000107.7I22 A25 P26 A32 I33 F105I22-V64 HydrophobicContact CG2-CG1 3.71Å; A25-V64 WeakPolarHBondContact O-CG2 3.46Å; P26-V64 HydrophobicContact CB-CG2 4.08Å; P26-V64 HydrophobicContact CG-CG2 3.8Å; A32-V64 HydrophobicContact CB-CB 4.44Å; I33-V64 PolarHBondContact N-O 3.34Å; V64-F105 HydrophobicContact CB-CE1 4.49Å; V64-F105 HydrophobicContact CG1-CE1 4.06Å; V64-F105 HydrophobicContact CG1-CZ 3.93Å
65I97.5Very high95.8Very high4 Ų425.4 Ų25.42%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-102.6125.5173.4-42.1-52.9000108I22 R23 I33 T35 F51 T60 F63 H67I22-I65 CarbonylContact C-O 3.56Å; I22-I65 WeakPolarHBondContact CA-O 3.43Å; R23-I65 HydrophobicContact CB-CB 4.24Å; R23-I65 PolarHBondContact N-O 3.23Å; R23-I65 PolarHBondContact O-N 3.15Å; I33-I65 HydrophobicContact CB-CD1 3.77Å; I33-I65 HydrophobicContact CD1-CD1 3.79Å; I33-I65 HydrophobicContact CG1-CD1 4.21Å; I33-I65 HydrophobicContact CG2-CD1 4.34Å; I33-I65 CarbonylContact O-C 3.51Å; I33-I65 WeakPolarHBondContact O-CA 3.48Å; T35-I65 HydrophobicContact CG2-CG2 4.45Å; F51-I65 HydrophobicContact CD1-CD1 4.43Å; F51-I65 HydrophobicContact CD1-CG1 4.27Å; F51-I65 HydrophobicContact CD1-CG2 4.09Å; F51-I65 HydrophobicContact CE1-CB 4.45Å; F51-I65 HydrophobicContact CE1-CD1 3.84Å; F51-I65 HydrophobicContact CE1-CG1 4.04Å; F51-I65 HydrophobicContact CE1-CG2 3.57Å; F51-I65 HydrophobicContact CZ-CG2 3.86Å; T60-I65 HydrophobicContact CG2-CD1 3.96Å; T60-I65 HydrophobicContact CG2-CG1 4.06Å; F63-I65 HydrophobicContact CB-CD1 4.23Å; I65-H67 WeakPolarHBondContact CG2-CE1 3.26Å; I65-H67 WeakPolarHBondContact CG2-NE2 3.32Å
66C98.1Very high95.8Very high0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-116.2100.4178.9176.30000108.3V20 I22 I33 L34 T35 F105V20-C66 WeakPolarHBondContact CG1-SG 3.44Å; I22-C66 HydrophobicContact CD1-CB 3.71Å; I33-C66 PolarHBondContact O-N 3.33Å; L34-C66 CarbonylContact C-O 3.34Å; L34-C66 VanDerWaalsContact CA-O 3.26Å; L34-C66 WeakPolarHBondContact CA-O 3.21Å; L34-C66 HydrophobicContact CB-CB 4.45Å; L34-C66 HydrophobicContact CG-CB 4.44Å; T35-C66 PolarHBondContact N-O 3.23Å; C66-F105 HydrophobicContact CB-CE2 3.94Å; C66-F105 HydrophobicContact CB-CZ 4.39Å
67H98.8Very high95.8Very high9 Ų927.2 Ų27.24%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-88.9120.5177.3-65.6-60.6000110.1V20 V21 T35 H43 F51 I65V20-H67 CarbonylContact C-O 3.55Å; V20-H67 VanDerWaalsContact CA-O 3.26Å; V20-H67 WeakPolarHBondContact CA-O 3.38Å; V21-H67 HydrophobicContact CB-CB 4.2Å; V21-H67 PolarHBondContact N-O 2.96Å; V21-H67 PolarHBondContact O-N 3.44Å; T35-H67 WeakPolarHBondContact OG1-CA 3.4Å; T35-H67 PolarHBondContact OG1-ND1 2.93Å; H43-H67 HydrophobicContact CB-CB 3.67Å; F51-H67 AromaticContact CD2-CE1 3.87Å; F51-H67 AromaticContact CE2-CE1 3.83Å; I65-H67 WeakPolarHBondContact CG2-CE1 3.26Å; I65-H67 WeakPolarHBondContact CG2-NE2 3.32Å
68V98.8Very high95.9Very high0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-101.4125.6175.4-178.50000109.2L18 V20 L34 T35 Y36 H37 L96 V99L18-V68 HydrophobicContact CD1-CG1 4.05Å; L18-V68 HydrophobicContact CD2-CG1 4.24Å; V20-V68 HydrophobicContact CG2-CG2 4.38Å; L34-V68 HydrophobicContact CD1-CG2 4.2Å; L34-V68 HydrophobicContact CD2-CG2 4.06Å; L34-V68 HydrophobicContact CG-CG2 4.07Å; T35-V68 PolarHBondContact O-N 3.27Å; Y36-V68 HydrophobicContact CD2-CB 4.11Å; Y36-V68 HydrophobicContact CD2-CG1 3.99Å; Y36-V68 HydrophobicContact CE2-CB 4.34Å; Y36-V68 HydrophobicContact CE2-CG1 3.7Å; H37-V68 PolarHBondContact CD2-O 3.32Å; V68-L96 HydrophobicContact CG1-CD2 4.39Å; V68-L96 HydrophobicContact CG2-CD2 4.3Å; V68-V99 HydrophobicContact CG2-CG1 4.44Å
69D98.8Very high96.1Very high0 Ų031.1 Ų31.10%018%0.182CC..EExtended strand (participates in β ladder)trans-93.7129.9165.7-75.9-26.1000109.9H19 H37 H43 H74H19-D69 HydrophobicContact CB-CB 4.29Å; H19-D69 IonicContact CD2-OD2 3.88Å; H19-D69 PolarHBondContact CD2-OD2 2.9Å; H19-D69 PolarHBondContact O-N 2.84Å; H37-D69 IonicContact CD2-OD1 2.71Å; H37-D69 IonicContact NE2-OD1 2.64Å; H43-D69 WeakPolarHBondContact CB-OD1 3.45Å; H43-D69 IonicContact CE1-OD2 3.55Å; H43-D69 PolarHBondContact CE1-OD2 3.21Å; H43-D69 IonicContact CG-OD1 3.34Å; H43-D69 PolarHBondContact N-OD1 3.37Å; H43-D69 IonicContact ND1-OD1 3.41Å; H43-D69 PolarHBondContact ND1-OD1 2.89Å; H43-D69 IonicContact ND1-OD2 2.7Å; H43-D69 PolarHBondContact ND1-OD2 2.96Å; D69-H74 HydrophobicContact CB-CB 3.92Å; D69-H74 WeakPolarHBondContact OD2-CA 3.28Å; D69-H74 VanDerWaalsContact OD2-CB 3.31Å; D69-H74 WeakPolarHBondContact OD2-CB 3.41Å
70A98.6Very high96.3Very high0 Ų033.1 Ų33.10%019%0.19CC..PPolyproline II helixtrans-58.2151.7173.700000110.4Y36 H37 G72 Q73 F201Y36-A70 HydrophobicContact CE1-CB 3.9Å; H37-A70 PolarHBondContact NE2-N 2.75Å; A70-G72 PolarHBondContact O-N 2.82Å; A70-G72 VanDerWaalsContact O-N 3.15Å; A70-Q73 HydrophobicContact CB-CB 4.39Å; A70-Q73 HydrophobicContact CB-CG 3.74Å; A70-Q73 WeakPolarHBondContact O-CB 3.17Å; A70-Q73 WeakPolarHBondContact O-CG 3.49Å; A70-Q73 PolarHBondContact O-N 2.53Å; A70-F201 HydrophobicContact CB-CD1 4.22Å; A70-F201 HydrophobicContact CB-CE1 3.84Å; A70-F201 HydrophobicContact CB-CE2 4.32Å; A70-F201 HydrophobicContact CB-CZ 3.9Å
71P98.4Very high96.5Very high5 Ų536.3 Ų36.33%0.03221%0.211CC..THydrogen-bonded Turntrans-50.3124.2-176.6-28.434.5000112.6L18 Q73 F80 Y86 P87 L92 M95L18-P71 HydrophobicContact CD2-CG 3.9Å; P71-Q73 VanDerWaalsContact C-N 3.3Å; P71-Q73 PolarHBondContact O-N 3.02Å; P71-Q73 PolarHBondContact O-NE2 2.83Å; P71-Q73 VanDerWaalsContact O-NE2 3.13Å; P71-F80 HydrophobicContact CB-CE2 4.41Å; P71-F80 HydrophobicContact CB-CZ 4.15Å; P71-Y86 HydrophobicContact CB-CE2 3.99Å; P71-Y86 WeakPolarHBondContact CD-OH 3.25Å; P71-Y86 VanDerWaalsContact O-CE2 3.29Å; P71-Y86 WeakPolarHBondContact O-CE2 3.35Å; P71-Y86 PolarHBondContact O-OH 2.84Å; P71-P87 HydrophobicContact CG-CG 4.34Å; P71-L92 HydrophobicContact CG-CD2 3.78Å; P71-M95 HydrophobicContact CG-CE 4.16Å; P71-M95 HydrophobicContact CG-SD 4.34Å
72G97.6Very high96.6Very high5 Ų541 Ų415%0.05224%0.235CC..THydrogen-bonded Turntrans74.18.2178.900000116.3A70 A77 N197A70-G72 PolarHBondContact O-N 2.82Å; A70-G72 VanDerWaalsContact O-N 3.15Å; G72-A77 VanDerWaalsContact O-CB 3.28Å; G72-A77 WeakPolarHBondContact O-CB 3.39Å; G72-N197 WeakPolarHBondContact CA-ND2 3.31Å; G72-N197 WeakPolarHBondContact O-CB 3.26Å; G72-N197 PolarHBondContact O-ND2 2.47Å; G72-N197 VanDerWaalsContact O-ND2 3.16Å
73Q97.9Very high96.7Very high2 Ų241.4 Ų41.41%0.00926%0.255CS..  trans-100.5-11.1-179.6-49.2-51.1-59.600114N42 A70 P71 N197 F201N42-Q73 WeakPolarHBondContact CB-O 3.34Å; A70-Q73 HydrophobicContact CB-CB 4.39Å; A70-Q73 HydrophobicContact CB-CG 3.74Å; A70-Q73 WeakPolarHBondContact O-CB 3.17Å; A70-Q73 WeakPolarHBondContact O-CG 3.49Å; A70-Q73 PolarHBondContact O-N 2.53Å; P71-Q73 VanDerWaalsContact C-N 3.3Å; P71-Q73 PolarHBondContact O-N 3.02Å; P71-Q73 PolarHBondContact O-NE2 2.83Å; P71-Q73 VanDerWaalsContact O-NE2 3.13Å; Q73-N197 VanDerWaalsContact NE2-C 3.35Å; Q73-N197 PolarHBondContact NE2-O 3.18Å; Q73-N197 VanDerWaalsContact NE2-O 3.08Å; Q73-F201 HydrophobicContact CG-CD1 3.92Å; Q73-F201 HydrophobicContact CG-CE1 4.49Å
74H97Very high96.8Very high48 Ų4844.4 Ų44.422%0.22227%0.267CS..SBendtrans-64.3157.7174.961.5-93.1000111.7H19 D69 G76 A77H19-H74 HydrophobicContact CB-CB 3.86Å; H19-H74 VanDerWaalsContact CD2-CB 3.47Å; H19-H74 WeakPolarHBondContact CD2-CB 3.48Å; H19-H74 AromaticContact CG-CG 3.79Å; D69-H74 HydrophobicContact CB-CB 3.92Å; D69-H74 WeakPolarHBondContact OD2-CA 3.28Å; D69-H74 VanDerWaalsContact OD2-CB 3.31Å; D69-H74 WeakPolarHBondContact OD2-CB 3.41Å; H74-G76 PolarHBondContact O-N 3.15Å; H74-A77 WeakPolarHBondContact NE2-CA 2.94Å; H74-A77 WeakPolarHBondContact NE2-CB 3.49Å; H74-A77 VanDerWaalsContact O-CB 3.27Å; H74-A77 WeakPolarHBondContact O-CB 3.35Å; H74-A77 PolarHBondContact O-N 3.42Å; H74-A77 VanDerWaalsContact O-N 3.16Å
75V93.9Very high96.8Very high79 Ų7952.3 Ų52.348%0.47930%0.304SS..THydrogen-bonded Turntrans-62.9129.2-179.7179.30000109.9K44 A77K44-V75 HydrophobicContact CD-CG2 4.2Å; V75-A77 VanDerWaalsContact C-N 3.3Å
76G93.8Very high96.9Very high70 Ų7052.8 Ų52.872%0.72231%0.305SS*.THydrogen-bonded Turntrans79.110.1-179.700000114.6H74 T78H74-G76 PolarHBondContact O-N 3.15Å; G76-T78 PolarHBondContact O-N 2.71Å
77A96.5Very high96.9Very high12 Ų1253 Ų5310%0.09931%0.307CS..PPolyproline II helixtrans-55.2130.5177.500000112.5G72 H74 V75G72-A77 VanDerWaalsContact O-CB 3.28Å; G72-A77 WeakPolarHBondContact O-CB 3.39Å; H74-A77 WeakPolarHBondContact NE2-CA 2.94Å; H74-A77 WeakPolarHBondContact NE2-CB 3.49Å; H74-A77 VanDerWaalsContact O-CB 3.27Å; H74-A77 WeakPolarHBondContact O-CB 3.35Å; H74-A77 PolarHBondContact O-N 3.42Å; H74-A77 VanDerWaalsContact O-N 3.16Å; V75-A77 VanDerWaalsContact C-N 3.3Å
78T96.1Very high96.8Very high118 Ų11855.3 Ų55.372%0.72432%0.321SS*.PPolyproline II helixtrans-66.3144.9172.254.50000110.7G76 F80 N197G76-T78 PolarHBondContact O-N 2.71Å; T78-F80 PolarHBondContact O-N 3.37Å; T78-N197 PolarHBondContact O-ND2 3.17Å
79Q97.3Very high96.8Very high103 Ų10355.5 Ų55.548%0.48132%0.322SS..PPolyproline II helixtrans-64.3133.1175.4-161.6-174.9-73.600110.7N194 Q196Q79-N194 WeakPolarHBondContact CA-ND2 3.12Å; Q79-N194 WeakPolarHBondContact CB-ND2 3.5Å; Q79-N194 PolarHBondContact N-ND2 3.07Å; Q79-Q196 HydrophobicContact CG-CB 3.74Å; Q79-Q196 HydrophobicContact CG-CG 4.1Å
80F97.4Very high96.7Very high43 Ų4358.4 Ų58.419%0.18934%0.338CS..PPolyproline II helixtrans-65151.3169.5-71.2-56.3000111.5P71 T78 Y84 Y86 N197 L200P71-F80 HydrophobicContact CB-CE2 4.41Å; P71-F80 HydrophobicContact CB-CZ 4.15Å; T78-F80 PolarHBondContact O-N 3.37Å; F80-Y84 HydrophobicContact CB-CD1 3.95Å; F80-Y84 HydrophobicContact CB-CD2 4.37Å; F80-Y84 HydrophobicContact CB-CG 3.81Å; F80-Y84 HydrophobicContact CD1-CD1 4.11Å; F80-Y84 HydrophobicContact CD1-CD2 4.09Å; F80-Y84 AromaticContact CD1-CE1 3.96Å; F80-Y84 HydrophobicContact CD1-CE1 3.96Å; F80-Y84 AromaticContact CD1-CE2 3.96Å; F80-Y84 HydrophobicContact CD1-CE2 3.96Å; F80-Y84 HydrophobicContact CD1-CG 4.16Å; F80-Y84 AromaticContact CD1-CZ 3.9Å; F80-Y84 AromaticContact CD2-CD1 3.95Å; F80-Y84 HydrophobicContact CD2-CD1 3.95Å; F80-Y84 AromaticContact CD2-CE1 3.96Å; F80-Y84 HydrophobicContact CD2-CE1 3.96Å; F80-Y84 HydrophobicContact CE1-CE1 4.06Å; F80-Y84 HydrophobicContact CE1-CE2 4.22Å; F80-Y84 AromaticContact CE1-CZ 3.83Å; F80-Y84 HydrophobicContact CE2-CD1 4.5Å; F80-Y84 HydrophobicContact CE2-CE1 4.05Å; F80-Y84 AromaticContact CG-CD1 3.74Å; F80-Y84 HydrophobicContact CG-CD1 3.74Å; F80-Y84 HydrophobicContact CG-CD2 4.35Å; F80-Y84 AromaticContact CG-CE1 3.92Å; F80-Y84 HydrophobicContact CG-CE1 3.92Å; F80-Y84 AromaticContact CG-CG 3.96Å; F80-Y84 HydrophobicContact CG-CG 3.96Å; F80-Y84 HydrophobicContact CZ-CE1 4.1Å; F80-Y86 HydrophobicContact CE2-CD2 4.29Å; F80-Y86 HydrophobicContact CE2-CE2 4Å; F80-N197 HydrophobicContact CD2-CB 4.27Å; F80-N197 WeakPolarHBondContact CD2-OD1 3.47Å; F80-N197 PolarHBondContact N-OD1 3.26Å; F80-L200 HydrophobicContact CB-CD1 4.19Å; F80-L200 HydrophobicContact CD2-CD1 4.04Å
81P96.9Very high96.7Very high90 Ų9061.5 Ų61.558%0.58435%0.352SS*.PPolyproline II helixtrans-65.4158.1177.727.6-34.6000111.7G83 Y84P81-G83 PolarHBondContact O-N 3.05Å; P81-Y84 HydrophobicContact CG-CD2 4.33Å; P81-Y84 VanDerWaalsContact O-CB 3.23Å; P81-Y84 WeakPolarHBondContact O-CB 3.35Å; P81-Y84 PolarHBondContact O-N 2.96Å; P81-Y84 VanDerWaalsContact O-N 3.14Å
82Q93.8Very high96.7Very high202 Ų20261.2 Ų61.294%0.94435%0.351SS*.THydrogen-bonded Turntrans-59.7135.7174.4-170.5178.78.100110.6Y84Q82-Y84 VanDerWaalsContact C-N 3.28Å; Q82-Y84 PolarHBondContact O-N 2.81Å
83G93.4Very high96.7Very high68 Ų6861 Ų6170%0.70135%0.348SS*.THydrogen-bonded Turntrans79.46.9-177.800000114.6P81 Q85P81-G83 PolarHBondContact O-N 3.05Å; G83-Q85 PolarHBondContact O-N 3.14Å
84Y96.4Very high96.8Very high68 Ų6861.8 Ų61.827%0.26736%0.357SS..  trans-55.1128.1174.3-176.8-100.1000111.6F80 P81 Q82 Y86 L200F80-Y84 HydrophobicContact CB-CD1 3.95Å; F80-Y84 HydrophobicContact CB-CD2 4.37Å; F80-Y84 HydrophobicContact CB-CG 3.81Å; F80-Y84 HydrophobicContact CD1-CD1 4.11Å; F80-Y84 HydrophobicContact CD1-CD2 4.09Å; F80-Y84 AromaticContact CD1-CE1 3.96Å; F80-Y84 HydrophobicContact CD1-CE1 3.96Å; F80-Y84 AromaticContact CD1-CE2 3.96Å; F80-Y84 HydrophobicContact CD1-CE2 3.96Å; F80-Y84 HydrophobicContact CD1-CG 4.16Å; F80-Y84 AromaticContact CD1-CZ 3.9Å; F80-Y84 AromaticContact CD2-CD1 3.95Å; F80-Y84 HydrophobicContact CD2-CD1 3.95Å; F80-Y84 AromaticContact CD2-CE1 3.96Å; F80-Y84 HydrophobicContact CD2-CE1 3.96Å; F80-Y84 HydrophobicContact CE1-CE1 4.06Å; F80-Y84 HydrophobicContact CE1-CE2 4.22Å; F80-Y84 AromaticContact CE1-CZ 3.83Å; F80-Y84 HydrophobicContact CE2-CD1 4.5Å; F80-Y84 HydrophobicContact CE2-CE1 4.05Å; F80-Y84 AromaticContact CG-CD1 3.74Å; F80-Y84 HydrophobicContact CG-CD1 3.74Å; F80-Y84 HydrophobicContact CG-CD2 4.35Å; F80-Y84 AromaticContact CG-CE1 3.92Å; F80-Y84 HydrophobicContact CG-CE1 3.92Å; F80-Y84 AromaticContact CG-CG 3.96Å; F80-Y84 HydrophobicContact CG-CG 3.96Å; F80-Y84 HydrophobicContact CZ-CE1 4.1Å; P81-Y84 HydrophobicContact CG-CD2 4.33Å; P81-Y84 VanDerWaalsContact O-CB 3.23Å; P81-Y84 WeakPolarHBondContact O-CB 3.35Å; P81-Y84 PolarHBondContact O-N 2.96Å; P81-Y84 VanDerWaalsContact O-N 3.14Å; Q82-Y84 VanDerWaalsContact C-N 3.28Å; Q82-Y84 PolarHBondContact O-N 2.81Å; Y84-Y86 HydrophobicContact CD1-CD2 4.39Å; Y84-Y86 HydrophobicContact CE1-CD2 4.08Å; Y84-Y86 PolarHBondContact O-N 2.83Å; Y84-L200 HydrophobicContact CD1-CD1 4.16Å
85Q96.3Very high96.8Very high173 Ų17359.5 Ų59.581%0.80835%0.346SS*.  trans-83.196.1176.1-67.3-88.3-39.100108.4G83G83-Q85 PolarHBondContact O-N 3.14Å
86Y98.1Very high97.1Very high14 Ų1455.7 Ų55.76%0.05532%0.323CS..PPolyproline II helixtrans-64.6140.1178.5-160.2-94.7000111P71 F80 Y84 T88 L92 L200 F201 M204P71-Y86 HydrophobicContact CB-CE2 3.99Å; P71-Y86 WeakPolarHBondContact CD-OH 3.25Å; P71-Y86 VanDerWaalsContact O-CE2 3.29Å; P71-Y86 WeakPolarHBondContact O-CE2 3.35Å; P71-Y86 PolarHBondContact O-OH 2.84Å; F80-Y86 HydrophobicContact CE2-CD2 4.29Å; F80-Y86 HydrophobicContact CE2-CE2 4Å; Y84-Y86 HydrophobicContact CD1-CD2 4.39Å; Y84-Y86 HydrophobicContact CE1-CD2 4.08Å; Y84-Y86 PolarHBondContact O-N 2.83Å; Y86-T88 PolarHBondContact O-N 2.95Å; Y86-L92 HydrophobicContact CE1-CD1 4.31Å; Y86-L92 HydrophobicContact CE1-CD2 4.42Å; Y86-L200 HydrophobicContact CD2-CB 3.61Å; Y86-L200 HydrophobicContact CD2-CD1 4.21Å; Y86-L200 HydrophobicContact CE2-CB 4.27Å; Y86-L200 HydrophobicContact CG-CB 3.9Å; Y86-F201 HydrophobicContact CE1-CB 4.06Å; Y86-F201 AromaticContact CE1-CD2 3.81Å; Y86-F201 HydrophobicContact CE1-CD2 3.81Å; Y86-F201 HydrophobicContact CE1-CG 4.3Å; Y86-M204 HydrophobicContact CD1-CB 3.99Å; Y86-M204 HydrophobicContact CD1-CG 4.31Å; Y86-M204 WeakPolarHBondContact O-CE 3.34Å
87P98.3Very high97.3Very high5 Ų553 Ų533%0.03229%0.292CS..PPolyproline II helixtrans-57.9136.8179.5-25.635.1000112Y15 P71 Q91 L92 M204Y15-P87 WeakPolarHBondContact O-CG 3.49Å; P71-P87 HydrophobicContact CG-CG 4.34Å; P87-Q91 HydrophobicContact CB-CB 4.03Å; P87-L92 HydrophobicContact CB-CD2 3.82Å; P87-L92 HydrophobicContact CB-CG 4.11Å; P87-L92 HydrophobicContact CG-CD2 4.33Å; P87-M204 WeakPolarHBondContact O-CG 3.43Å
88T97.9Very high97.4Very high56 Ų5654.1 Ų54.134%0.34430%0.299SS..PPolyproline II helixtrans-65.8162.1175.370.60000112Y86 D90 Q91 L92 M204Y86-T88 PolarHBondContact O-N 2.95Å; T88-D90 PolarHBondContact O-N 3.29Å; T88-D90 VanDerWaalsContact O-N 3.16Å; T88-Q91 CarbonylContact O-C 3.54Å; T88-Q91 WeakPolarHBondContact O-CA 3.45Å; T88-Q91 WeakPolarHBondContact O-CB 3.41Å; T88-Q91 PolarHBondContact O-N 3.16Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.2Å; T88-Q91 PolarHBondContact OG1-N 3.08Å; T88-L92 WeakPolarHBondContact O-CG 3.36Å; T88-L92 PolarHBondContact O-N 3.28Å; T88-M204 VanDerWaalsContact CA-SD 3.55Å; T88-M204 HydrophobicContact CG2-CE 4.23Å; T88-M204 HydrophobicContact CG2-SD 4.3Å
89M97.8Very high97.5Very high4 Ų448.5 Ų48.52%0.0226%0.264CS..Hα-helixtrans-55.2-35.2175.8-60.3-57.5-64.500112.9L92 A93 A115 Y118 I119 M204 Y205 R208M89-L92 HydrophobicContact SD-CD1 4.04Å; M89-A93 PolarHBondContact O-N 3.16Å; M89-A93 VanDerWaalsContact O-N 3.16Å; M89-A115 HydrophobicContact CE-CB 4.4Å; M89-Y118 HydrophobicContact CB-CD1 4.17Å; M89-Y118 HydrophobicContact CB-CE1 3.69Å; M89-Y118 HydrophobicContact CE-CD1 3.62Å; M89-Y118 HydrophobicContact CE-CE1 4.28Å; M89-Y118 HydrophobicContact CE-CG 4.3Å; M89-Y118 HydrophobicContact CG-CE1 4.33Å; M89-I119 HydrophobicContact CE-CD1 3.79Å; M89-I119 HydrophobicContact CE-CG1 3.47Å; M89-I119 VanDerWaalsContact CE-CG1 3.47Å; M89-M204 HydrophobicContact CG-CG 4.29Å; M89-M204 HydrophobicContact SD-CG 4.15Å; M89-Y205 HydrophobicContact CE-CD2 3.75Å; M89-Y205 HydrophobicContact CE-CE2 4.44Å; M89-Y205 HydrophobicContact SD-CD2 4.25Å; M89-R208 HydrophobicContact CG-CB 3.79Å
90D96.9Very high97.4Very high62 Ų6243.6 Ų43.633%0.33224%0.241SC..Hα-helixtrans-70.1-39.5175.8-72.28000111.5T88 A93 G94 K122T88-D90 PolarHBondContact O-N 3.29Å; T88-D90 VanDerWaalsContact O-N 3.16Å; D90-A93 PolarHBondContact O-N 2.78Å; D90-G94 PolarHBondContact O-N 2.81Å; D90-K122 VanDerWaalsContact CG-CE 3.48Å; D90-K122 WeakPolarHBondContact OD1-CE 3.09Å; D90-K122 IonicContact OD1-NZ 2.99Å; D90-K122 PolarHBondContact OD1-NZ 2.87Å; D90-K122 IonicContact OD2-NZ 3.68Å; D90-K122 PolarHBondContact OD2-NZ 2.79Å
91Q98.4Very high97.4Very high64 Ų6447.9 Ų47.930%0.29926%0.262SS..Hα-helixtrans-67.8-43.2174.8-72.3171.3-31.800111.5Y15 P87 T88 A93 G94 M95Y15-Q91 HydrophobicContact CD1-CB 4.11Å; Y15-Q91 HydrophobicContact CD1-CG 3.84Å; Y15-Q91 HydrophobicContact CD2-CB 3.78Å; Y15-Q91 HydrophobicContact CD2-CG 4.18Å; Y15-Q91 WeakPolarHBondContact CD2-O 3.31Å; Y15-Q91 HydrophobicContact CE1-CB 4.39Å; Y15-Q91 HydrophobicContact CE1-CG 3.76Å; Y15-Q91 HydrophobicContact CE2-CB 4.06Å; Y15-Q91 HydrophobicContact CE2-CG 4.09Å; Y15-Q91 HydrophobicContact CG-CB 3.8Å; Y15-Q91 HydrophobicContact CG-CG 4.06Å; P87-Q91 HydrophobicContact CB-CB 4.03Å; T88-Q91 CarbonylContact O-C 3.54Å; T88-Q91 WeakPolarHBondContact O-CA 3.45Å; T88-Q91 WeakPolarHBondContact O-CB 3.41Å; T88-Q91 PolarHBondContact O-N 3.16Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.2Å; T88-Q91 PolarHBondContact OG1-N 3.08Å; Q91-A93 VanDerWaalsContact C-N 3.27Å; Q91-A93 PolarHBondContact O-N 2.85Å; Q91-G94 CarbonylContact O-C 3.42Å; Q91-G94 VanDerWaalsContact O-CA 3.29Å; Q91-G94 WeakPolarHBondContact O-CA 3.47Å; Q91-G94 PolarHBondContact O-N 2.84Å; Q91-M95 WeakPolarHBondContact O-CG 3.4Å; Q91-M95 PolarHBondContact O-N 2.85Å
92L98.8Very high97.3Very high0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-55.5-43.2174.8-68.6174.4000111.3P71 Y86 P87 T88 M89 M95 I119 F201P71-L92 HydrophobicContact CG-CD2 3.78Å; Y86-L92 HydrophobicContact CE1-CD1 4.31Å; Y86-L92 HydrophobicContact CE1-CD2 4.42Å; P87-L92 HydrophobicContact CB-CD2 3.82Å; P87-L92 HydrophobicContact CB-CG 4.11Å; P87-L92 HydrophobicContact CG-CD2 4.33Å; T88-L92 WeakPolarHBondContact O-CG 3.36Å; T88-L92 PolarHBondContact O-N 3.28Å; M89-L92 HydrophobicContact SD-CD1 4.04Å; L92-M95 HydrophobicContact CD2-SD 3.93Å; L92-M95 PolarHBondContact O-N 3.46Å; L92-I119 HydrophobicContact CB-CD1 4Å; L92-I119 HydrophobicContact CB-CG1 4.21Å; L92-I119 HydrophobicContact CB-CG2 4.35Å; L92-I119 HydrophobicContact CD1-CD1 3.74Å; L92-I119 HydrophobicContact CD1-CG1 4.5Å; L92-I119 HydrophobicContact CG-CD1 4.5Å; L92-F201 HydrophobicContact CD1-CD2 4.39Å; L92-F201 HydrophobicContact CD1-CE2 3.96Å
93A98.5Very high97.3Very high0 Ų038.6 Ų38.60%021%0.21CC..Hα-helixtrans-65.1-38.9172.500000112.3M89 D90 Q91 M95 L96 I119 K122 F123 L126M89-A93 PolarHBondContact O-N 3.16Å; M89-A93 VanDerWaalsContact O-N 3.16Å; D90-A93 PolarHBondContact O-N 2.78Å; Q91-A93 VanDerWaalsContact C-N 3.27Å; Q91-A93 PolarHBondContact O-N 2.85Å; A93-M95 PolarHBondContact O-N 2.92Å; A93-L96 PolarHBondContact O-N 3.42Å; A93-I119 HydrophobicContact CB-CG2 4.19Å; A93-K122 HydrophobicContact CB-CB 3.87Å; A93-K122 HydrophobicContact CB-CG 3.83Å; A93-F123 HydrophobicContact CB-CB 4.21Å; A93-L126 HydrophobicContact CB-CD1 4.43Å
94G98.3Very high97.2Very high18 Ų1838.3 Ų38.319%0.18621%0.207CC..Hα-helixtrans-67.5-12.8175.600000115.4D90 Q91 P97D90-G94 PolarHBondContact O-N 2.81Å; Q91-G94 CarbonylContact O-C 3.42Å; Q91-G94 VanDerWaalsContact O-CA 3.29Å; Q91-G94 WeakPolarHBondContact O-CA 3.47Å; Q91-G94 PolarHBondContact O-N 2.84Å; G94-P97 WeakPolarHBondContact O-CD 3.48Å
95M98.6Very high97.1Very high0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-78.4-28.8173.2-61.9169.691.100112.1T13 Y15 G16 L18 P71 Q91 L92 A93 T98T13-M95 HydrophobicContact CG2-CB 4.12Å; T13-M95 HydrophobicContact CG2-CE 4.26Å; T13-M95 WeakPolarHBondContact OG1-CE 3.38Å; T13-M95 WeakPolarHBondContact OG1-CG 3.2Å; Y15-M95 HydrophobicContact CD2-CG 3.85Å; Y15-M95 HydrophobicContact CG-CG 4.41Å; G16-M95 WeakPolarHBondContact O-CE 3.34Å; L18-M95 HydrophobicContact CD1-CB 3.59Å; L18-M95 HydrophobicContact CD1-CE 4.22Å; L18-M95 HydrophobicContact CD1-CG 4.49Å; L18-M95 HydrophobicContact CD1-SD 4.32Å; L18-M95 HydrophobicContact CD2-CE 3.76Å; L18-M95 HydrophobicContact CD2-SD 4.06Å; L18-M95 HydrophobicContact CG-CB 4.34Å; L18-M95 HydrophobicContact CG-CE 3.57Å; L18-M95 HydrophobicContact CG-SD 4.18Å; P71-M95 HydrophobicContact CG-CE 4.16Å; P71-M95 HydrophobicContact CG-SD 4.34Å; Q91-M95 WeakPolarHBondContact O-CG 3.4Å; Q91-M95 PolarHBondContact O-N 2.85Å; L92-M95 HydrophobicContact CD2-SD 3.93Å; L92-M95 PolarHBondContact O-N 3.46Å; A93-M95 PolarHBondContact O-N 2.92Å; M95-T98 WeakPolarHBondContact O-CB 3.1Å; M95-T98 PolarHBondContact O-N 3.41Å; M95-T98 VanDerWaalsContact O-N 3.13Å
96L98.7Very high97Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-64-35.7-172.7-63.7-176.3000115.8L18 Y36 V68 A93 T98 V99 V100 I119 L120 F123L18-L96 HydrophobicContact CD1-CD2 4.48Å; Y36-L96 HydrophobicContact CD2-CD1 4.38Å; Y36-L96 HydrophobicContact CD2-CD2 4.11Å; Y36-L96 HydrophobicContact CE2-CD2 4.02Å; V68-L96 HydrophobicContact CG1-CD2 4.39Å; V68-L96 HydrophobicContact CG2-CD2 4.3Å; A93-L96 PolarHBondContact O-N 3.42Å; L96-T98 PolarHBondContact O-N 2.84Å; L96-V99 PolarHBondContact O-N 2.83Å; L96-V99 VanDerWaalsContact O-N 3.11Å; L96-V100 WeakPolarHBondContact O-CG2 3.38Å; L96-V100 PolarHBondContact O-N 3.47Å; L96-I119 HydrophobicContact CD1-CG2 4.11Å; L96-L120 HydrophobicContact CD1-CD2 3.68Å; L96-F123 HydrophobicContact CB-CD1 4.29Å; L96-F123 HydrophobicContact CB-CD2 3.73Å; L96-F123 HydrophobicContact CB-CE1 4.36Å; L96-F123 HydrophobicContact CB-CE2 3.86Å; L96-F123 HydrophobicContact CB-CG 3.99Å; L96-F123 HydrophobicContact CB-CZ 4.17Å; L96-F123 HydrophobicContact CD1-CB 3.86Å; L96-F123 HydrophobicContact CD1-CD1 3.94Å; L96-F123 HydrophobicContact CD1-CD2 4.37Å; L96-F123 HydrophobicContact CD1-CG 3.8Å
97P98.6Very high96.9Very high12 Ų1234.7 Ų34.78%0.07819%0.192CC..Hα-helixtrans-53.2-38.1171.8-22.127.6000112.8G94 V100 Q101 F123 F127 M130G94-P97 WeakPolarHBondContact O-CD 3.48Å; P97-V100 PolarHBondContact O-N 2.79Å; P97-Q101 WeakPolarHBondContact O-CB 3.29Å; P97-Q101 WeakPolarHBondContact O-CG 3.41Å; P97-Q101 PolarHBondContact O-N 3.33Å; P97-F123 HydrophobicContact CG-CD2 4.37Å; P97-F123 HydrophobicContact CG-CE2 3.8Å; P97-F127 HydrophobicContact CG-CD1 4.16Å; P97-F127 HydrophobicContact CG-CD2 3.68Å; P97-F127 HydrophobicContact CG-CE1 3.91Å; P97-F127 HydrophobicContact CG-CE2 3.39Å; P97-F127 HydrophobicContact CG-CG 4.04Å; P97-F127 HydrophobicContact CG-CZ 3.51Å; P97-M130 HydrophobicContact CB-SD 4.12Å
98T98.3Very high96.9Very high37 Ų3734.5 Ų34.523%0.22719%0.19CC..Hα-helixtrans-65.9-43179.8-50.90000110.8V11 E12 T13 M95 L96 Q101 H102V11-T98 HydrophobicContact CG1-CG2 4.21Å; E12-T98 WeakPolarHBondContact O-CG2 3.11Å; T13-T98 HydrophobicContact CG2-CG2 4.23Å; M95-T98 WeakPolarHBondContact O-CB 3.1Å; M95-T98 PolarHBondContact O-N 3.41Å; M95-T98 VanDerWaalsContact O-N 3.13Å; L96-T98 PolarHBondContact O-N 2.84Å; T98-Q101 PolarHBondContact O-N 3.35Å; T98-H102 WeakPolarHBondContact O-CB 3.48Å; T98-H102 PolarHBondContact O-N 3.36Å
99V97.9Very high97Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-61.5-47.8175.3177.40000110.9V11 L18 V20 L34 V68 L96 Q101 H102 F103V11-V99 HydrophobicContact CG1-CG2 4.4Å; L18-V99 HydrophobicContact CB-CG2 4.49Å; L18-V99 HydrophobicContact CD1-CG2 3.71Å; V20-V99 HydrophobicContact CG1-CG1 4.36Å; V20-V99 HydrophobicContact CG2-CG1 4.09Å; V20-V99 HydrophobicContact CG2-CG2 4.21Å; L34-V99 HydrophobicContact CD1-CG1 4.48Å; V68-V99 HydrophobicContact CG2-CG1 4.44Å; L96-V99 PolarHBondContact O-N 2.83Å; L96-V99 VanDerWaalsContact O-N 3.11Å; V99-Q101 VanDerWaalsContact C-N 3.33Å; V99-Q101 PolarHBondContact O-N 2.87Å; V99-H102 PolarHBondContact O-N 2.9Å; V99-F103 HydrophobicContact CG1-CD2 4.09Å; V99-F103 HydrophobicContact CG1-CE2 4.11Å; V99-F103 VanDerWaalsContact O-CD2 3.31Å; V99-F103 WeakPolarHBondContact O-CD2 3.43Å; V99-F103 PolarHBondContact O-N 3.42Å
100V96.8Very high97Very high0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-61.2-43-179.4177.60000110.9L34 L96 P97 G104 F105 I108 F123 M130L34-V100 HydrophobicContact CD1-CG2 4.33Å; L96-V100 WeakPolarHBondContact O-CG2 3.38Å; L96-V100 PolarHBondContact O-N 3.47Å; P97-V100 PolarHBondContact O-N 2.79Å; V100-G104 PolarHBondContact O-N 2.93Å; V100-F105 HydrophobicContact CG1-CB 3.86Å; V100-F105 WeakPolarHBondContact CG1-O 3.4Å; V100-F105 PolarHBondContact O-N 2.82Å; V100-I108 HydrophobicContact CG2-CG2 3.87Å; V100-F123 HydrophobicContact CG2-CZ 4.27Å; V100-M130 HydrophobicContact CB-CE 3.77Å; V100-M130 HydrophobicContact CG1-CE 3.48Å; V100-M130 VanDerWaalsContact CG1-CE 3.48Å
101Q95.9Very high97.1Very high132 Ų13228.8 Ų28.862%0.61716%0.158SC*.Hα-helixtrans-70.8-41178-70.7171.27.700112.9P97 T98 V99 F103 G104 M130P97-Q101 WeakPolarHBondContact O-CB 3.29Å; P97-Q101 WeakPolarHBondContact O-CG 3.41Å; P97-Q101 PolarHBondContact O-N 3.33Å; T98-Q101 PolarHBondContact O-N 3.35Å; V99-Q101 VanDerWaalsContact C-N 3.33Å; V99-Q101 PolarHBondContact O-N 2.87Å; Q101-F103 VanDerWaalsContact C-N 3.31Å; Q101-F103 PolarHBondContact O-N 3.38Å; Q101-G104 PolarHBondContact O-N 3.43Å; Q101-M130 HydrophobicContact CG-CE 4.21Å
102H95.3Very high97.1Very high87 Ų8725.8 Ų25.840%0.40314%0.143SC..Hα-helixtrans-56.6-44.8-178.5-177.392.7000111.7V11 T98 V99 G104V11-H102 HydrophobicContact CG1-CB 4.05Å; T98-H102 WeakPolarHBondContact O-CB 3.48Å; T98-H102 PolarHBondContact O-N 3.36Å; V99-H102 PolarHBondContact O-N 2.9Å; H102-G104 VanDerWaalsContact C-N 3.33Å
103F93.8Very high97.1Very high10 Ų1025.8 Ų25.84%0.04414%0.143CC..THydrogen-bonded Turntrans-895.2178.5-62.9-69.6000114W5 H9 V11 V20 I22 V99 Q101 F105W5-F103 HydrophobicContact CB-CD1 4Å; W5-F103 HydrophobicContact CB-CE1 4.18Å; W5-F103 AromaticContact CD2-CD1 3.68Å; W5-F103 HydrophobicContact CD2-CD1 3.68Å; W5-F103 AromaticContact CD2-CE1 3.94Å; W5-F103 HydrophobicContact CD2-CE1 3.94Å; W5-F103 AromaticContact CE3-CD1 3.9Å; W5-F103 HydrophobicContact CE3-CD1 3.9Å; W5-F103 AromaticContact CE3-CE1 3.69Å; W5-F103 HydrophobicContact CE3-CE1 3.69Å; W5-F103 AromaticContact CG-CD1 3.72Å; W5-F103 HydrophobicContact CG-CD1 3.72Å; W5-F103 HydrophobicContact CG-CE1 4.17Å; W5-F103 HydrophobicContact CZ3-CE1 4.38Å; H9-F103 HydrophobicContact CB-CE1 4.39Å; H9-F103 HydrophobicContact CB-CZ 3.86Å; H9-F103 AromaticContact CD2-CE1 3.9Å; H9-F103 AromaticContact CD2-CZ 3.95Å; H9-F103 AromaticContact CG-CE1 3.91Å; H9-F103 AromaticContact CG-CZ 3.85Å; V11-F103 HydrophobicContact CG2-CE2 3.78Å; V11-F103 HydrophobicContact CG2-CZ 3.94Å; V20-F103 HydrophobicContact CB-CE2 4.19Å; V20-F103 HydrophobicContact CB-CZ 4.41Å; V20-F103 HydrophobicContact CG1-CE2 3.77Å; V20-F103 HydrophobicContact CG1-CZ 4.2Å; I22-F103 HydrophobicContact CD1-CD1 4.29Å; I22-F103 HydrophobicContact CD1-CD2 4.02Å; I22-F103 HydrophobicContact CD1-CE1 4.24Å; I22-F103 HydrophobicContact CD1-CE2 3.98Å; I22-F103 HydrophobicContact CD1-CG 4.19Å; I22-F103 HydrophobicContact CD1-CZ 4.09Å; I22-F103 HydrophobicContact CG1-CD1 4.01Å; I22-F103 HydrophobicContact CG1-CE1 3.69Å; I22-F103 HydrophobicContact CG1-CE2 4.24Å; I22-F103 HydrophobicContact CG1-CG 4.42Å; I22-F103 HydrophobicContact CG1-CZ 3.82Å; V99-F103 HydrophobicContact CG1-CD2 4.09Å; V99-F103 HydrophobicContact CG1-CE2 4.11Å; V99-F103 VanDerWaalsContact O-CD2 3.31Å; V99-F103 WeakPolarHBondContact O-CD2 3.43Å; V99-F103 PolarHBondContact O-N 3.42Å; Q101-F103 VanDerWaalsContact C-N 3.31Å; Q101-F103 PolarHBondContact O-N 3.38Å; F103-F105 VanDerWaalsContact C-N 3.29Å; F103-F105 HydrophobicContact CB-CD1 4.18Å; F103-F105 HydrophobicContact CB-CD2 4.02Å; F103-F105 HydrophobicContact CB-CE1 3.71Å; F103-F105 HydrophobicContact CB-CE2 3.53Å; F103-F105 HydrophobicContact CB-CG 4.32Å; F103-F105 HydrophobicContact CB-CZ 3.36Å; F103-F105 HydrophobicContact CD2-CE2 4.11Å; F103-F105 HydrophobicContact CD2-CZ 4.41Å; F103-F105 HydrophobicContact CG-CE2 4.12Å; F103-F105 HydrophobicContact CG-CZ 4.02Å; F103-F105 PolarHBondContact O-N 3.02Å
104G92.7Very high97.1Very high62 Ų6225.8 Ų25.864%0.63914%0.143SC*.THydrogen-bonded Turntrans67.824.617700000114.5V100 Q101 H102V100-G104 PolarHBondContact O-N 2.93Å; Q101-G104 PolarHBondContact O-N 3.43Å; H102-G104 VanDerWaalsContact C-N 3.33Å
105F93.8Very high97.2Very high26 Ų2624.9 Ų24.911%0.11414%0.135CC..  trans-73.3137.1174.6-54.2-33.8000109.7I22 A32 V64 C66 V100 F103I22-F105 HydrophobicContact CD1-CE2 4.42Å; I22-F105 HydrophobicContact CD1-CZ 4.09Å; A32-F105 HydrophobicContact CB-CB 4.49Å; A32-F105 HydrophobicContact CB-CD1 3.91Å; A32-F105 HydrophobicContact CB-CD2 3.69Å; A32-F105 HydrophobicContact CB-CE1 4.01Å; A32-F105 HydrophobicContact CB-CE2 3.8Å; A32-F105 HydrophobicContact CB-CG 3.76Å; A32-F105 HydrophobicContact CB-CZ 3.95Å; V64-F105 HydrophobicContact CB-CE1 4.49Å; V64-F105 HydrophobicContact CG1-CE1 4.06Å; V64-F105 HydrophobicContact CG1-CZ 3.93Å; C66-F105 HydrophobicContact CB-CE2 3.94Å; C66-F105 HydrophobicContact CB-CZ 4.39Å; V100-F105 HydrophobicContact CG1-CB 3.86Å; V100-F105 WeakPolarHBondContact CG1-O 3.4Å; V100-F105 PolarHBondContact O-N 2.82Å; F103-F105 VanDerWaalsContact C-N 3.29Å; F103-F105 HydrophobicContact CB-CD1 4.18Å; F103-F105 HydrophobicContact CB-CD2 4.02Å; F103-F105 HydrophobicContact CB-CE1 3.71Å; F103-F105 HydrophobicContact CB-CE2 3.53Å; F103-F105 HydrophobicContact CB-CG 4.32Å; F103-F105 HydrophobicContact CB-CZ 3.36Å; F103-F105 HydrophobicContact CD2-CE2 4.11Å; F103-F105 HydrophobicContact CD2-CZ 4.41Å; F103-F105 HydrophobicContact CG-CE2 4.12Å; F103-F105 HydrophobicContact CG-CZ 4.02Å; F103-F105 PolarHBondContact O-N 3.02Å
106K93.3Very high97.2Very high146 Ų14624.9 Ų24.964%0.63514%0.135SC*.SBendtrans-76.3-36.2173.7-65.8-175.6176.9174.60111.8N29N29-K106 PolarHBondContact OD1-NZ 3.34Å
107S96.9Very high97.2Very high8 Ų824.9 Ų24.96%0.05614%0.135CC..  trans-162.7166.5-171.453.40000110.1P31 A32 M130 E132P31-S107 WeakPolarHBondContact CA-O 3.37Å; P31-S107 WeakPolarHBondContact CB-O 3.4Å; A32-S107 PolarHBondContact N-O 3.31Å; S107-M130 CarbonylContact C-O 3.54Å; S107-M130 VanDerWaalsContact CA-O 3.28Å; S107-M130 WeakPolarHBondContact CA-O 3.46Å; S107-E132 WeakPolarHBondContact CB-OE1 3.43Å; S107-E132 PolarHBondContact OG-OE1 2.87Å
108I98.4Very high97.2Very high0 Ų024.3 Ų24.30%013%0.131CC..EExtended strand (participates in β ladder)trans-126.5157.1177.162.8145.5000113.1A32 L34 V100 L120 F123 M130 V131 E132A32-I108 HydrophobicContact CB-CG2 4.47Å; A32-I108 CarbonylContact O-C 3.56Å; A32-I108 WeakPolarHBondContact O-CA 3.37Å; L34-I108 HydrophobicContact CB-CB 4.05Å; L34-I108 HydrophobicContact CB-CD1 3.89Å; L34-I108 HydrophobicContact CB-CG2 3.9Å; L34-I108 HydrophobicContact CD1-CD1 4.47Å; L34-I108 HydrophobicContact CD1-CG2 4.14Å; L34-I108 HydrophobicContact CD2-CD1 4.41Å; L34-I108 HydrophobicContact CG-CD1 4.49Å; V100-I108 HydrophobicContact CG2-CG2 3.87Å; I108-L120 HydrophobicContact CD1-CD2 4.47Å; I108-F123 HydrophobicContact CD1-CD1 4.22Å; I108-F123 HydrophobicContact CD1-CE1 3.83Å; I108-F123 HydrophobicContact CG1-CE1 4.1Å; I108-M130 WeakPolarHBondContact CG1-O 3.21Å; I108-M130 PolarHBondContact N-O 3.3Å; I108-V131 HydrophobicContact CD1-CG2 4.31Å; I108-V131 HydrophobicContact CG1-CG2 4.1Å; I108-E132 PolarHBondContact O-N 2.69Å
109V98.7Very high97.2Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-103.8115.7151.7-179.30000107.1P31 A32 I33 L34 G133 F279 F282 L283 M286P31-V109 HydrophobicContact CB-CG2 4.18Å; P31-V109 HydrophobicContact CG-CG2 3.75Å; A32-V109 PolarHBondContact O-N 3.15Å; I33-V109 CarbonylContact C-O 3.59Å; I33-V109 VanDerWaalsContact CA-O 3.32Å; I33-V109 WeakPolarHBondContact CA-O 3.36Å; L34-V109 PolarHBondContact N-O 2.92Å; V109-G133 CarbonylContact C-O 3.57Å; V109-G133 WeakPolarHBondContact CA-O 3.27Å; V109-F279 HydrophobicContact CG1-CE2 4.15Å; V109-F279 HydrophobicContact CG1-CZ 4.46Å; V109-F282 HydrophobicContact CG1-CE1 4.17Å; V109-L283 HydrophobicContact CG1-CD2 4.3Å; V109-L283 HydrophobicContact CG2-CD2 4.27Å; V109-M286 HydrophobicContact CG2-CE 3.61Å
110G98.9Very high97.3Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-88.6138.1-175.900000112.6L34 G133 L134 V135L34-G110 CarbonylContact O-C 3.56Å; L34-G110 VanDerWaalsContact O-CA 3.3Å; L34-G110 WeakPolarHBondContact O-CA 3.44Å; G110-G133 PolarHBondContact N-O 3.07Å; G110-L134 CarbonylContact O-C 3.39Å; G110-L134 WeakPolarHBondContact O-CA 3.3Å; G110-V135 PolarHBondContact O-N 2.74Å
111I98.9Very high97.4Very high3 Ų322.6 Ų22.62%0.01512%0.12CC..EExtended strand (participates in β ladder)trans-123.5112.1168.6-51.4-178.2000108.7I33 L34 T35 Y36 F47 F50 F51 L120 V135 L137 F279I33-I111 HydrophobicContact CG2-CD1 3.7Å; I33-I111 HydrophobicContact CG2-CG1 4.09Å; L34-I111 PolarHBondContact O-N 2.82Å; T35-I111 CarbonylContact C-O 3.53Å; T35-I111 WeakPolarHBondContact CA-O 3.43Å; T35-I111 HydrophobicContact CG2-CB 4.37Å; Y36-I111 PolarHBondContact N-O 2.7Å; F47-I111 HydrophobicContact CE1-CG2 4.1Å; F50-I111 HydrophobicContact CE1-CD1 4.05Å; F51-I111 HydrophobicContact CZ-CD1 4.1Å; I111-L120 VanDerWaalsContact C-CD1 3.44Å; I111-V135 WeakPolarHBondContact CA-O 3.32Å; I111-V135 HydrophobicContact CB-CB 4.5Å; I111-V135 HydrophobicContact CG1-CB 4.21Å; I111-V135 HydrophobicContact CG1-CG2 4.33Å; I111-V135 HydrophobicContact CG2-CB 4.29Å; I111-L137 HydrophobicContact CG2-CD1 3.89Å; I111-F279 HydrophobicContact CD1-CD2 4.46Å; I111-F279 HydrophobicContact CD1-CE1 4.19Å; I111-F279 HydrophobicContact CD1-CE2 3.93Å; I111-F279 HydrophobicContact CD1-CZ 3.78Å; I111-F279 HydrophobicContact CG1-CE2 4.35Å; I111-F279 HydrophobicContact CG1-CZ 4.5Å
112G98.9Very high97.5Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-122146.1-177.100000112Y36 V135 L137Y36-G112 WeakPolarHBondContact O-CA 3.4Å; G112-V135 PolarHBondContact N-O 3.21Å; G112-L137 WeakPolarHBondContact O-CD1 3.33Å; G112-L137 PolarHBondContact O-N 3.43Å
113V98.9Very high97.6Very high0 Ų013.3 Ų13.30%08%0.077CC..EExtended strand (participates in β ladder)trans-120.3128.3172-1700000109.2Y36 D38 C46 F47 A115 G116 A117 L137 L266Y36-V113 PolarHBondContact O-N 3Å; D38-V113 WeakPolarHBondContact CA-O 3.47Å; D38-V113 HydrophobicContact CB-CB 4.16Å; D38-V113 HydrophobicContact CB-CG1 4.06Å; D38-V113 WeakPolarHBondContact CB-O 3.41Å; D38-V113 PolarHBondContact N-O 2.9Å; C46-V113 WeakPolarHBondContact SG-CG2 3.4Å; F47-V113 HydrophobicContact CE1-CG2 3.66Å; F47-V113 HydrophobicContact CZ-CG2 3.88Å; V113-A115 PolarHBondContact O-N 2.82Å; V113-A115 VanDerWaalsContact O-N 3.08Å; V113-G116 WeakPolarHBondContact O-CA 3.25Å; V113-G116 PolarHBondContact O-N 3.27Å; V113-A117 PolarHBondContact O-N 3.05Å; V113-L137 CarbonylContact C-O 3.57Å; V113-L137 WeakPolarHBondContact CA-O 3.2Å; V113-L137 HydrophobicContact CB-CB 4.36Å; V113-L137 HydrophobicContact CG1-CB 4.19Å; V113-L137 HydrophobicContact CG2-CB 4.06Å; V113-L137 HydrophobicContact CG2-CD1 4.36Å; V113-L137 HydrophobicContact CG2-CD2 4.17Å; V113-L137 HydrophobicContact CG2-CG 4.43Å; V113-L266 HydrophobicContact CG1-CD2 4.44Å
114G98.6Very high97.9Very high0 Ų013 Ų130%08%0.076CC..THydrogen-bonded Turntrans51.9-110.8176.700000113.3G116 A117 Y118 L137 N138G114-G116 VanDerWaalsContact C-N 3.29Å; G114-G116 PolarHBondContact O-N 3.13Å; G114-A117 WeakPolarHBondContact O-CB 3.45Å; G114-A117 PolarHBondContact O-N 3Å; G114-Y118 PolarHBondContact O-N 3.35Å; G114-L137 PolarHBondContact N-O 2.82Å; G114-N138 WeakPolarHBondContact CA-O 3.38Å
115A98.7Very high98Very high0 Ų010.7 Ų10.70%05%0.049CC..Hα-helixtrans-55.9-41.7174.400000113D38 V39 M89 V113 A117 Y118 I119 F201 Y205D38-A115 WeakPolarHBondContact OD1-CB 3.32Å; D38-A115 PolarHBondContact OD1-N 3.13Å; V39-A115 HydrophobicContact CG2-CB 3.72Å; M89-A115 HydrophobicContact CE-CB 4.4Å; V113-A115 PolarHBondContact O-N 2.82Å; V113-A115 VanDerWaalsContact O-N 3.08Å; A115-A117 VanDerWaalsContact C-N 3.32Å; A115-A117 PolarHBondContact O-N 2.81Å; A115-Y118 WeakPolarHBondContact O-CB 3.37Å; A115-Y118 PolarHBondContact O-N 3.18Å; A115-I119 WeakPolarHBondContact O-CD1 3.41Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.36Å; A115-I119 PolarHBondContact O-N 3.48Å; A115-F201 HydrophobicContact CB-CE2 4.29Å; A115-F201 HydrophobicContact CB-CZ 3.8Å; A115-Y205 VanDerWaalsContact CA-CE2 3.46Å; A115-Y205 HydrophobicContact CB-CD1 4.46Å; A115-Y205 HydrophobicContact CB-CD2 3.5Å; A115-Y205 VanDerWaalsContact CB-CD2 3.5Å; A115-Y205 HydrophobicContact CB-CE2 3.74Å; A115-Y205 HydrophobicContact CB-CG 3.9Å
116G98.9Very high98.2Very high0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-65-35175.100000113Y36 H37 V113 G114 I119 L120Y36-G116 WeakPolarHBondContact O-CA 3.3Å; H37-G116 WeakPolarHBondContact O-CA 3.4Å; H37-G116 PolarHBondContact O-N 2.9Å; H37-G116 VanDerWaalsContact O-N 3.15Å; V113-G116 WeakPolarHBondContact O-CA 3.25Å; V113-G116 PolarHBondContact O-N 3.27Å; G114-G116 VanDerWaalsContact C-N 3.29Å; G114-G116 PolarHBondContact O-N 3.13Å; G116-I119 PolarHBondContact O-N 2.92Å; G116-L120 WeakPolarHBondContact O-CB 3.31Å; G116-L120 VanDerWaalsContact O-CG 3.29Å; G116-L120 WeakPolarHBondContact O-CG 3.47Å; G116-L120 PolarHBondContact O-N 3.15Å
117A98.9Very high98.4Very high0 Ų09.8 Ų9.80%05%0.048CC..Hα-helixtrans-65-44173.800000111.4V113 G114 A115 L120 A121 L136 I139V113-A117 PolarHBondContact O-N 3.05Å; G114-A117 WeakPolarHBondContact O-CB 3.45Å; G114-A117 PolarHBondContact O-N 3Å; A115-A117 VanDerWaalsContact C-N 3.32Å; A115-A117 PolarHBondContact O-N 2.81Å; A117-L120 PolarHBondContact O-N 2.8Å; A117-A121 WeakPolarHBondContact O-CB 3.26Å; A117-A121 PolarHBondContact O-N 3.13Å; A117-L136 HydrophobicContact CB-CB 4.11Å; A117-L136 HydrophobicContact CB-CD2 4.02Å; A117-I139 HydrophobicContact CB-CB 3.75Å; A117-I139 HydrophobicContact CB-CD1 4.34Å; A117-I139 HydrophobicContact CB-CG1 4.17Å
118Y98.8Very high98.3Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-59.4-47.2173.8-178.9-77.3000111.6M89 G114 A115 L120 A121 K122 R208 R209 L211M89-Y118 HydrophobicContact CB-CD1 4.17Å; M89-Y118 HydrophobicContact CB-CE1 3.69Å; M89-Y118 HydrophobicContact CE-CD1 3.62Å; M89-Y118 HydrophobicContact CE-CE1 4.28Å; M89-Y118 HydrophobicContact CE-CG 4.3Å; M89-Y118 HydrophobicContact CG-CE1 4.33Å; G114-Y118 PolarHBondContact O-N 3.35Å; A115-Y118 WeakPolarHBondContact O-CB 3.37Å; A115-Y118 PolarHBondContact O-N 3.18Å; Y118-L120 PolarHBondContact O-N 2.71Å; Y118-A121 PolarHBondContact O-N 3.01Å; Y118-K122 HydrophobicContact CE1-CB 4.49Å; Y118-K122 WeakPolarHBondContact O-CB 3.32Å; Y118-K122 PolarHBondContact O-N 2.6Å; Y118-R208 HydrophobicContact CE2-CG 4.39Å; Y118-R209 PolarHBondContact OH-O 3.3Å; Y118-L211 HydrophobicContact CD2-CB 4.46Å; Y118-L211 HydrophobicContact CE1-CD1 4.46Å; Y118-L211 HydrophobicContact CE2-CB 3.85Å; Y118-L211 HydrophobicContact CE2-CD1 4.2Å
119I98.9Very high98.3Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-62-45.4-179-69163.6000110.9Y36 M89 L92 A93 L96 A115 G116 K122 F123 F201Y36-I119 HydrophobicContact CD1-CD1 3.97Å; Y36-I119 HydrophobicContact CD2-CG2 4Å; Y36-I119 HydrophobicContact CE1-CD1 3.39Å; Y36-I119 HydrophobicContact CE2-CD1 4.36Å; Y36-I119 HydrophobicContact CE2-CG2 3.83Å; Y36-I119 HydrophobicContact CG-CG2 4.48Å; M89-I119 HydrophobicContact CE-CD1 3.79Å; M89-I119 HydrophobicContact CE-CG1 3.47Å; M89-I119 VanDerWaalsContact CE-CG1 3.47Å; L92-I119 HydrophobicContact CB-CD1 4Å; L92-I119 HydrophobicContact CB-CG1 4.21Å; L92-I119 HydrophobicContact CB-CG2 4.35Å; L92-I119 HydrophobicContact CD1-CD1 3.74Å; L92-I119 HydrophobicContact CD1-CG1 4.5Å; L92-I119 HydrophobicContact CG-CD1 4.5Å; A93-I119 HydrophobicContact CB-CG2 4.19Å; L96-I119 HydrophobicContact CD1-CG2 4.11Å; A115-I119 WeakPolarHBondContact O-CD1 3.41Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.36Å; A115-I119 PolarHBondContact O-N 3.48Å; G116-I119 PolarHBondContact O-N 2.92Å; I119-K122 PolarHBondContact O-N 2.81Å; I119-F123 WeakPolarHBondContact O-CB 3.21Å; I119-F123 PolarHBondContact O-N 2.93Å; I119-F201 HydrophobicContact CD1-CE2 4.44Å
120L98.9Very high98.3Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-67.7-38.3178.6-69.2178.7000112.7L34 L96 I108 I111 G116 A117 Y118 F123 A124 L134 L136L34-L120 HydrophobicContact CD2-CD2 3.59Å; L96-L120 HydrophobicContact CD1-CD2 3.68Å; I108-L120 HydrophobicContact CD1-CD2 4.47Å; I111-L120 VanDerWaalsContact C-CD1 3.44Å; G116-L120 WeakPolarHBondContact O-CB 3.31Å; G116-L120 VanDerWaalsContact O-CG 3.29Å; G116-L120 WeakPolarHBondContact O-CG 3.47Å; G116-L120 PolarHBondContact O-N 3.15Å; A117-L120 PolarHBondContact O-N 2.8Å; Y118-L120 PolarHBondContact O-N 2.71Å; L120-F123 PolarHBondContact O-N 3.18Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 3.3Å; L120-L134 HydrophobicContact CB-CD2 3.93Å; L120-L136 HydrophobicContact CB-CD2 4.48Å
121A98.7Very high98.2Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-63.8-44.1173.700000111.1A117 Y118 F123 A124 L125 L136 I139 L211 L225A117-A121 WeakPolarHBondContact O-CB 3.26Å; A117-A121 PolarHBondContact O-N 3.13Å; Y118-A121 PolarHBondContact O-N 3.01Å; A121-F123 VanDerWaalsContact C-N 3.35Å; A121-F123 PolarHBondContact O-N 3.46Å; A121-A124 PolarHBondContact O-N 3.38Å; A121-L125 WeakPolarHBondContact O-CG 3.26Å; A121-L125 PolarHBondContact O-N 3.26Å; A121-L136 HydrophobicContact CB-CD1 4.16Å; A121-I139 HydrophobicContact CB-CD1 3.9Å; A121-L211 HydrophobicContact CB-CD2 3.59Å; A121-L225 HydrophobicContact CB-CD1 4.37Å
122K98.3Very high98.2Very high24 Ų2423 Ų2310%0.10412%0.118CC..Hα-helixtrans-60.8-43173.8-170.678.9-175.5-140.40111.6D90 A93 Y118 I119 A124 L125 L126 L211D90-K122 VanDerWaalsContact CG-CE 3.48Å; D90-K122 WeakPolarHBondContact OD1-CE 3.09Å; D90-K122 IonicContact OD1-NZ 2.99Å; D90-K122 PolarHBondContact OD1-NZ 2.87Å; D90-K122 IonicContact OD2-NZ 3.68Å; D90-K122 PolarHBondContact OD2-NZ 2.79Å; A93-K122 HydrophobicContact CB-CB 3.87Å; A93-K122 HydrophobicContact CB-CG 3.83Å; Y118-K122 HydrophobicContact CE1-CB 4.49Å; Y118-K122 WeakPolarHBondContact O-CB 3.32Å; Y118-K122 PolarHBondContact O-N 2.6Å; I119-K122 PolarHBondContact O-N 2.81Å; K122-A124 PolarHBondContact O-N 3.01Å; K122-L125 WeakPolarHBondContact O-CB 3.44Å; K122-L125 PolarHBondContact O-N 2.89Å; K122-L126 HydrophobicContact CG-CD1 4.19Å; K122-L126 WeakPolarHBondContact O-CG 3.26Å; K122-L126 PolarHBondContact O-N 3.48Å; K122-L211 HydrophobicContact CB-CD1 3.85Å; K122-L211 HydrophobicContact CD-CD1 3.55Å; K122-L211 HydrophobicContact CG-CD1 4.32Å
123F98.6Very high98.2Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-59.1-46.4175.8171.3-119.9000111.7A93 L96 P97 V100 I108 I119 L120 A121 L125 L126 F127 M130 V131A93-F123 HydrophobicContact CB-CB 4.21Å; L96-F123 HydrophobicContact CB-CD1 4.29Å; L96-F123 HydrophobicContact CB-CD2 3.73Å; L96-F123 HydrophobicContact CB-CE1 4.36Å; L96-F123 HydrophobicContact CB-CE2 3.86Å; L96-F123 HydrophobicContact CB-CG 3.99Å; L96-F123 HydrophobicContact CB-CZ 4.17Å; L96-F123 HydrophobicContact CD1-CB 3.86Å; L96-F123 HydrophobicContact CD1-CD1 3.94Å; L96-F123 HydrophobicContact CD1-CD2 4.37Å; L96-F123 HydrophobicContact CD1-CG 3.8Å; P97-F123 HydrophobicContact CG-CD2 4.37Å; P97-F123 HydrophobicContact CG-CE2 3.8Å; V100-F123 HydrophobicContact CG2-CZ 4.27Å; I108-F123 HydrophobicContact CD1-CD1 4.22Å; I108-F123 HydrophobicContact CD1-CE1 3.83Å; I108-F123 HydrophobicContact CG1-CE1 4.1Å; I119-F123 WeakPolarHBondContact O-CB 3.21Å; I119-F123 PolarHBondContact O-N 2.93Å; L120-F123 PolarHBondContact O-N 3.18Å; A121-F123 VanDerWaalsContact C-N 3.35Å; A121-F123 PolarHBondContact O-N 3.46Å; F123-L125 VanDerWaalsContact C-N 3.31Å; F123-L125 PolarHBondContact O-N 3.45Å; F123-L126 PolarHBondContact O-N 2.83Å; F123-L126 VanDerWaalsContact O-N 3.1Å; F123-F127 HydrophobicContact CD2-CB 4.26Å; F123-F127 AromaticContact CD2-CD2 3.49Å; F123-F127 HydrophobicContact CD2-CD2 3.49Å; F123-F127 VanDerWaalsContact CD2-CD2 3.49Å; F123-F127 HydrophobicContact CD2-CE2 4.26Å; F123-F127 HydrophobicContact CD2-CG 4.27Å; F123-F127 HydrophobicContact CE2-CB 3.82Å; F123-F127 AromaticContact CE2-CD2 3.59Å; F123-F127 HydrophobicContact CE2-CD2 3.59Å; F123-F127 HydrophobicContact CE2-CE2 4.46Å; F123-F127 AromaticContact CE2-CG 3.96Å; F123-F127 HydrophobicContact CE2-CG 3.96Å; F123-F127 HydrophobicContact CZ-CB 4.41Å; F123-F127 PolarHBondContact O-N 2.9Å; F123-M130 HydrophobicContact CE1-CB 4.49Å; F123-M130 HydrophobicContact CE2-SD 4.3Å; F123-M130 HydrophobicContact CZ-CB 3.85Å; F123-M130 HydrophobicContact CZ-SD 4.16Å; F123-V131 HydrophobicContact CD1-CG2 3.61Å; F123-V131 HydrophobicContact CE1-CG2 3.42Å; F123-V131 VanDerWaalsContact CE1-CG2 3.42Å; F123-V131 HydrophobicContact CZ-CG2 4.26Å
124A98.4Very high98.2Very high4 Ų423 Ų233%0.03312%0.118CC..Hα-helixtrans-65.9-29.7176.900000113.6L120 A121 K122 P128 V131 L134 L225L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 3.3Å; A121-A124 PolarHBondContact O-N 3.38Å; K122-A124 PolarHBondContact O-N 3.01Å; A124-P128 VanDerWaalsContact O-CA 3.25Å; A124-P128 WeakPolarHBondContact O-CA 3.2Å; A124-P128 WeakPolarHBondContact O-CB 2.81Å; A124-V131 HydrophobicContact CB-CB 4.02Å; A124-V131 HydrophobicContact CB-CG1 3.99Å; A124-V131 HydrophobicContact CB-CG2 3.9Å; A124-L134 HydrophobicContact CB-CD1 3.66Å; A124-L134 HydrophobicContact CB-CG 4.5Å; A124-L225 HydrophobicContact CB-CD2 3.72Å
125L96.7Very high98.2Very high13 Ų1323.1 Ų23.17%0.06812%0.119CC..Hα-helixtrans-70.1-34.7171.6-69170.4000112.2A121 K122 F123 L211 M213 K223 L225A121-L125 WeakPolarHBondContact O-CG 3.26Å; A121-L125 PolarHBondContact O-N 3.26Å; K122-L125 WeakPolarHBondContact O-CB 3.44Å; K122-L125 PolarHBondContact O-N 2.89Å; F123-L125 VanDerWaalsContact C-N 3.31Å; F123-L125 PolarHBondContact O-N 3.45Å; L125-L211 HydrophobicContact CD1-CD1 3.72Å; L125-L211 HydrophobicContact CD1-CD2 4.35Å; L125-L211 HydrophobicContact CD1-CG 3.82Å; L125-M213 HydrophobicContact CD1-CG 3.57Å; L125-M213 HydrophobicContact CD1-SD 3.84Å; L125-M213 HydrophobicContact CD2-CG 3.9Å; L125-M213 HydrophobicContact CD2-SD 4.07Å; L125-M213 HydrophobicContact CG-CG 4.3Å; L125-M213 HydrophobicContact CG-SD 4.27Å; L125-K223 HydrophobicContact CD2-CD 4.42Å; L125-K223 HydrophobicContact CD2-CG 4.16Å; L125-K223 WeakPolarHBondContact O-CE 3.49Å; L125-K223 PolarHBondContact O-NZ 2.69Å; L125-L225 HydrophobicContact CD2-CD2 3.91Å; L125-L225 HydrophobicContact CD2-CG 4.49Å; L125-L225 HydrophobicContact CG-CD2 3.87Å
126L96.1Very high98.2Very high78 Ų7823.1 Ų23.141%0.40812%0.119SC..Hα-helixtrans-81.9-39.7-178.6-68.1172.6000112.1A93 K122 F123A93-L126 HydrophobicContact CB-CD1 4.43Å; K122-L126 HydrophobicContact CG-CD1 4.19Å; K122-L126 WeakPolarHBondContact O-CG 3.26Å; K122-L126 PolarHBondContact O-N 3.48Å; F123-L126 PolarHBondContact O-N 2.83Å; F123-L126 VanDerWaalsContact O-N 3.1Å
127F97.3Very high98.2Very high75 Ų7523.1 Ų23.133%0.32912%0.119SC..  trans-131.462.8-172.7-52.6-82.1000111P97 F123 D129 M130P97-F127 HydrophobicContact CG-CD1 4.16Å; P97-F127 HydrophobicContact CG-CD2 3.68Å; P97-F127 HydrophobicContact CG-CE1 3.91Å; P97-F127 HydrophobicContact CG-CE2 3.39Å; P97-F127 HydrophobicContact CG-CG 4.04Å; P97-F127 HydrophobicContact CG-CZ 3.51Å; F123-F127 HydrophobicContact CD2-CB 4.26Å; F123-F127 AromaticContact CD2-CD2 3.49Å; F123-F127 HydrophobicContact CD2-CD2 3.49Å; F123-F127 VanDerWaalsContact CD2-CD2 3.49Å; F123-F127 HydrophobicContact CD2-CE2 4.26Å; F123-F127 HydrophobicContact CD2-CG 4.27Å; F123-F127 HydrophobicContact CE2-CB 3.82Å; F123-F127 AromaticContact CE2-CD2 3.59Å; F123-F127 HydrophobicContact CE2-CD2 3.59Å; F123-F127 HydrophobicContact CE2-CE2 4.46Å; F123-F127 AromaticContact CE2-CG 3.96Å; F123-F127 HydrophobicContact CE2-CG 3.96Å; F123-F127 HydrophobicContact CZ-CB 4.41Å; F123-F127 PolarHBondContact O-N 2.9Å; F127-D129 PolarHBondContact O-N 2.97Å; F127-D129 VanDerWaalsContact O-N 3.15Å; F127-M130 HydrophobicContact CB-CB 4.36Å; F127-M130 HydrophobicContact CB-CG 4.13Å; F127-M130 HydrophobicContact CB-SD 4.02Å; F127-M130 HydrophobicContact CG-SD 4.41Å; F127-M130 PolarHBondContact O-N 2.77Å
128P96.6Very high98.2Very high40 Ų4023.7 Ų23.726%0.2612%0.122SC..G310 helixtrans-59.7-30-172.924.2-35000113.5A124 M130 V131 K226A124-P128 VanDerWaalsContact O-CA 3.25Å; A124-P128 WeakPolarHBondContact O-CA 3.2Å; A124-P128 WeakPolarHBondContact O-CB 2.81Å; P128-M130 PolarHBondContact O-N 2.82Å; P128-V131 PolarHBondContact O-N 2.98Å; P128-K226 HydrophobicContact CB-CD 4.26Å
129D97.2Very high98.2Very high152 Ų15223.7 Ų23.781%0.81312%0.122SC*.G310 helixtrans-72.5-13.5-179.2-56.2-34000113.2F127F127-D129 PolarHBondContact O-N 2.97Å; F127-D129 VanDerWaalsContact O-N 3.15Å
130M98.1Very high98.1Very high30 Ų3025.5 Ų25.515%0.14813%0.132CC..G310 helixtrans-94.4-3.1177.2-56.1-173.693.300112.8P97 V100 Q101 S107 I108 F123 F127 P128P97-M130 HydrophobicContact CB-SD 4.12Å; V100-M130 HydrophobicContact CB-CE 3.77Å; V100-M130 HydrophobicContact CG1-CE 3.48Å; V100-M130 VanDerWaalsContact CG1-CE 3.48Å; Q101-M130 HydrophobicContact CG-CE 4.21Å; S107-M130 CarbonylContact C-O 3.54Å; S107-M130 VanDerWaalsContact CA-O 3.28Å; S107-M130 WeakPolarHBondContact CA-O 3.46Å; I108-M130 WeakPolarHBondContact CG1-O 3.21Å; I108-M130 PolarHBondContact N-O 3.3Å; F123-M130 HydrophobicContact CE1-CB 4.49Å; F123-M130 HydrophobicContact CE2-SD 4.3Å; F123-M130 HydrophobicContact CZ-CB 3.85Å; F123-M130 HydrophobicContact CZ-SD 4.16Å; F127-M130 HydrophobicContact CB-CB 4.36Å; F127-M130 HydrophobicContact CB-CG 4.13Å; F127-M130 HydrophobicContact CB-SD 4.02Å; F127-M130 HydrophobicContact CG-SD 4.41Å; F127-M130 PolarHBondContact O-N 2.77Å; P128-M130 PolarHBondContact O-N 2.82Å
131V98.6Very high97.9Very high7 Ų725.5 Ų25.54%0.04213%0.132CC..EExtended strand (participates in β ladder)trans-126.4115.7-173.7-1740000110.7I108 F123 A124 P128 L134 C227I108-V131 HydrophobicContact CD1-CG2 4.31Å; I108-V131 HydrophobicContact CG1-CG2 4.1Å; F123-V131 HydrophobicContact CD1-CG2 3.61Å; F123-V131 HydrophobicContact CE1-CG2 3.42Å; F123-V131 VanDerWaalsContact CE1-CG2 3.42Å; F123-V131 HydrophobicContact CZ-CG2 4.26Å; A124-V131 HydrophobicContact CB-CB 4.02Å; A124-V131 HydrophobicContact CB-CG1 3.99Å; A124-V131 HydrophobicContact CB-CG2 3.9Å; P128-V131 PolarHBondContact O-N 2.98Å; V131-L134 HydrophobicContact CG1-CD1 4.45Å; V131-L134 HydrophobicContact CG1-CD2 3.79Å; V131-L134 HydrophobicContact CG1-CG 3.82Å; V131-C227 WeakPolarHBondContact O-CB 3.34Å
132E98.4Very high97.6Very high59 Ų5927.4 Ų27.428%0.27614%0.142SC..EExtended strand (participates in β ladder)trans-92.5-21.2179.2-72.7-174.9-151.200113.8S107 I108 P228 M286 Y288S107-E132 WeakPolarHBondContact CB-OE1 3.43Å; S107-E132 PolarHBondContact OG-OE1 2.87Å; I108-E132 PolarHBondContact O-N 2.69Å; E132-P228 WeakPolarHBondContact O-CD 3.43Å; E132-M286 HydrophobicContact CB-CE 3.89Å; E132-Y288 WeakPolarHBondContact OE2-CE2 3.4Å; E132-Y288 VanDerWaalsContact OE2-CZ 3.27Å; E132-Y288 PolarHBondContact OE2-OH 3.06Å
133G98.7Very high97Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-173.3155.317800000111.8V109 G110 P228V109-G133 CarbonylContact C-O 3.57Å; V109-G133 WeakPolarHBondContact CA-O 3.27Å; G110-G133 PolarHBondContact N-O 3.07Å; G133-P228 VanDerWaalsContact CA-O 3.31Å; G133-P228 WeakPolarHBondContact CA-O 3.36Å
134L98.9Very high96.1Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-130.8135.3179.4-70.2176.4000111.9G110 L120 A124 V131 L136 L225 P228 V229 M230G110-L134 CarbonylContact O-C 3.39Å; G110-L134 WeakPolarHBondContact O-CA 3.3Å; L120-L134 HydrophobicContact CB-CD2 3.93Å; A124-L134 HydrophobicContact CB-CD1 3.66Å; A124-L134 HydrophobicContact CB-CG 4.5Å; V131-L134 HydrophobicContact CG1-CD1 4.45Å; V131-L134 HydrophobicContact CG1-CD2 3.79Å; V131-L134 HydrophobicContact CG1-CG 3.82Å; L134-L136 HydrophobicContact CB-CD1 4.39Å; L134-L136 HydrophobicContact CB-CD2 3.98Å; L134-L136 HydrophobicContact CB-CG 4.01Å; L134-L136 HydrophobicContact CD1-CD1 4.4Å; L134-L136 HydrophobicContact CD1-CD2 4.29Å; L134-L136 HydrophobicContact CD2-CD2 4.48Å; L134-L136 HydrophobicContact CG-CD2 4.5Å; L134-L225 HydrophobicContact CD1-CD1 4.02Å; L134-L225 HydrophobicContact CD1-CD2 4.24Å; L134-P228 PolarHBondContact N-O 2.98Å; L134-V229 HydrophobicContact CB-CG2 4.5Å; L134-V229 CarbonylContact O-C 3.5Å; L134-V229 WeakPolarHBondContact O-CA 3.48Å; L134-M230 PolarHBondContact O-N 2.82Å
135V98.9Very high94.6Very high3 Ų331.9 Ų31.92%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-110.7111.8165.4-172.30000107.6G110 I111 G112 L137 M230 V232 F279 F282G110-V135 PolarHBondContact O-N 2.74Å; I111-V135 WeakPolarHBondContact CA-O 3.32Å; I111-V135 HydrophobicContact CB-CB 4.5Å; I111-V135 HydrophobicContact CG1-CB 4.21Å; I111-V135 HydrophobicContact CG1-CG2 4.33Å; I111-V135 HydrophobicContact CG2-CB 4.29Å; G112-V135 PolarHBondContact N-O 3.21Å; V135-L137 HydrophobicContact CG1-CD1 3.81Å; V135-M230 CarbonylContact C-O 3.32Å; V135-M230 WeakPolarHBondContact CA-O 3.03Å; V135-M230 HydrophobicContact CB-CE 4.29Å; V135-M230 HydrophobicContact CG1-CB 4.47Å; V135-M230 HydrophobicContact CG1-CE 3.41Å; V135-M230 VanDerWaalsContact CG1-CE 3.41Å; V135-M230 HydrophobicContact CG2-CB 4.44Å; V135-M230 HydrophobicContact CG2-CE 3.89Å; V135-V232 HydrophobicContact CG1-CG2 4.1Å; V135-F279 HydrophobicContact CG2-CD2 3.72Å; V135-F279 HydrophobicContact CG2-CE2 3.83Å; V135-F282 HydrophobicContact CG2-CD1 3.98Å; V135-F282 HydrophobicContact CG2-CE1 3.99Å
136L98.9Very high92.7Very high0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-115.598.7-170.5-56.1179000109A117 L120 A121 L134 I139 L225 V229 M230 L231 V232A117-L136 HydrophobicContact CB-CB 4.11Å; A117-L136 HydrophobicContact CB-CD2 4.02Å; L120-L136 HydrophobicContact CB-CD2 4.48Å; A121-L136 HydrophobicContact CB-CD1 4.16Å; L134-L136 HydrophobicContact CB-CD1 4.39Å; L134-L136 HydrophobicContact CB-CD2 3.98Å; L134-L136 HydrophobicContact CB-CG 4.01Å; L134-L136 HydrophobicContact CD1-CD1 4.4Å; L134-L136 HydrophobicContact CD1-CD2 4.29Å; L134-L136 HydrophobicContact CD2-CD2 4.48Å; L134-L136 HydrophobicContact CG-CD2 4.5Å; L136-I139 HydrophobicContact CB-CB 4.26Å; L136-I139 HydrophobicContact CB-CG2 4.05Å; L136-I139 HydrophobicContact CD1-CD1 3.87Å; L136-L225 HydrophobicContact CD1-CD1 4.23Å; L136-V229 HydrophobicContact CD1-CG1 3.78Å; L136-V229 HydrophobicContact CG-CG1 4.2Å; L136-M230 PolarHBondContact N-O 2.8Å; L136-L231 HydrophobicContact CB-CD2 3.93Å; L136-L231 HydrophobicContact CD1-CD2 4.08Å; L136-V232 PolarHBondContact O-N 3.28Å
137L98.9Very high91.1Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-86.6131.1177.2-64.179.3000109I111 G112 V113 G114 V135 I139 V232 P267 Q268 L275I111-L137 HydrophobicContact CG2-CD1 3.89Å; G112-L137 WeakPolarHBondContact O-CD1 3.33Å; G112-L137 PolarHBondContact O-N 3.43Å; V113-L137 CarbonylContact C-O 3.57Å; V113-L137 WeakPolarHBondContact CA-O 3.2Å; V113-L137 HydrophobicContact CB-CB 4.36Å; V113-L137 HydrophobicContact CG1-CB 4.19Å; V113-L137 HydrophobicContact CG2-CB 4.06Å; V113-L137 HydrophobicContact CG2-CD1 4.36Å; V113-L137 HydrophobicContact CG2-CD2 4.17Å; V113-L137 HydrophobicContact CG2-CG 4.43Å; G114-L137 PolarHBondContact N-O 2.82Å; V135-L137 HydrophobicContact CG1-CD1 3.81Å; L137-I139 PolarHBondContact O-N 2.99Å; L137-I139 VanDerWaalsContact O-N 3.08Å; L137-V232 WeakPolarHBondContact CA-O 3.45Å; L137-V232 HydrophobicContact CG-CB 4.06Å; L137-V232 HydrophobicContact CG-CG1 4.42Å; L137-P267 HydrophobicContact CD2-CG 4.23Å; L137-Q268 HydrophobicContact CD2-CB 3.8Å; L137-Q268 HydrophobicContact CD2-CG 4.28Å; L137-L275 HydrophobicContact CD2-CD2 3.9Å
138N98.5Very high89.6Confident11 Ų1143.2 Ų43.26%0.05923%0.225CC..SBendtrans52.733.2172.9-58.6-22000114.1G114 V232 A239 G265G114-N138 WeakPolarHBondContact CA-O 3.38Å; N138-V232 PolarHBondContact N-O 3Å; N138-A239 HydrophobicContact CB-CB 3.64Å; N138-G265 PolarHBondContact ND2-O 3.45Å
139I98.3Very high88.1Confident0 Ų046.8 Ų46.80%023%0.233CC..  trans-66.8135.2176.5-174.2165.4000110.9A117 A121 L136 L137 L231 G242 V243 C246A117-I139 HydrophobicContact CB-CB 3.75Å; A117-I139 HydrophobicContact CB-CD1 4.34Å; A117-I139 HydrophobicContact CB-CG1 4.17Å; A121-I139 HydrophobicContact CB-CD1 3.9Å; L136-I139 HydrophobicContact CB-CB 4.26Å; L136-I139 HydrophobicContact CB-CG2 4.05Å; L136-I139 HydrophobicContact CD1-CD1 3.87Å; L137-I139 PolarHBondContact O-N 2.99Å; L137-I139 VanDerWaalsContact O-N 3.08Å; I139-L231 HydrophobicContact CG2-CD2 3.9Å; I139-G242 CarbonylContact O-C 3.54Å; I139-V243 HydrophobicContact CG2-CG2 4.22Å; I139-V243 WeakPolarHBondContact O-CA 3.41Å; I139-V243 VanDerWaalsContact O-CG2 3.26Å; I139-V243 WeakPolarHBondContact O-CG2 3.35Å; I139-V243 PolarHBondContact O-N 2.74Å; I139-V243 VanDerWaalsContact O-N 3.14Å; I139-C246 HydrophobicContact CG2-CB 3.88Å
140D96.4Very high86.1Confident38 Ų3841 Ų4120%0.20321%0.207CC..  trans-117.3113.5162.4176.68.9000108.4N142 R208D140-N142 PolarHBondContact O-N 3.28Å; D140-N142 PolarHBondContact OD1-N 3.29Å; D140-R208 IonicContact OD2-CZ 2.92Å; D140-R208 IonicContact OD2-NH2 3.45Å; D140-R208 PolarHBondContact OD2-NH2 2.84Å
141P94.9Very high84.5Confident0 Ų042.2 Ų42.20%022%0.221CC..  trans-78.4-7.5-177.635.3-37.6000112.5D210 L211 M213 G242 E245 C246P141-D210 CarbonylContact O-C 3.54Å; P141-D210 WeakPolarHBondContact O-CA 3.41Å; P141-L211 HydrophobicContact CB-CB 4.1Å; P141-L211 WeakPolarHBondContact O-CB 3.49Å; P141-L211 PolarHBondContact O-N 3.18Å; P141-M213 HydrophobicContact CB-CE 4.5Å; P141-G242 WeakPolarHBondContact CD-O 3.32Å; P141-E245 HydrophobicContact CG-CG 4.32Å; P141-C246 HydrophobicContact CG-CB 3.98Å
142N92.7Very high82.9Confident41 Ų4143 Ų4322%0.21923%0.227CC..SBendtrans-99150.9-173-55.4-43000111.6D140 R208 K249D140-N142 PolarHBondContact O-N 3.28Å; D140-N142 PolarHBondContact OD1-N 3.29Å; N142-R208 PolarHBondContact O-NE 3.45Å; N142-R208 PolarHBondContact O-NH2 3.45Å; N142-K249 PolarHBondContact OD1-NZ 2.95Å
143G86.3Confident81.2Confident18 Ų1844.6 Ų44.619%0.18623%0.233CC..PPolyproline II helixtrans-67.6150.1161.600000110.3G145 R208 D210G143-G145 PolarHBondContact O-N 3.04Å; G143-R208 WeakPolarHBondContact CA-O 3.5Å; G143-D210 PolarHBondContact N-OD1 3.19Å
144K78.8Confident79.3Confident67 Ų6750.3 Ų50.329%0.29126%0.263SS..PPolyproline II helixtrans-64.5132.1175.1-75.1-163.5168.2179.30109.8N206K144-N206 HydrophobicContact CD-CB 4.3Å; K144-N206 VanDerWaalsContact CD-OD1 3.28Å; K144-N206 WeakPolarHBondContact CD-OD1 3.49Å; K144-N206 WeakPolarHBondContact CE-OD1 3.33Å; K144-N206 PolarHBondContact NZ-OD1 3.15Å
145G68Low77.6Confident36 Ų3652.9 Ų52.937%0.37128%0.281SS..PPolyproline II helixtrans-55.8148.7171.500000110.6G143 I147 D148 W149G143-G145 PolarHBondContact O-N 3.04Å; G145-I147 PolarHBondContact O-N 2.78Å; G145-I147 VanDerWaalsContact O-N 3.12Å; G145-D148 PolarHBondContact O-N 2.99Å; G145-D148 VanDerWaalsContact O-N 3.12Å; G145-W149 WeakPolarHBondContact O-CB 3.26Å; G145-W149 PolarHBondContact O-N 3.11Å
146W57.3Low75.9Confident202 Ų20254.4 Ų54.477%0.76530%0.297SS*.Hα-helixtrans-58.1-29.8-175.367.6-88.8000113.3A150W146-A150 WeakPolarHBondContact O-CB 3.36Å; W146-A150 PolarHBondContact O-N 2.99Å
147I60.8Low74.2Confident100 Ų10061.2 Ų61.251%0.51333%0.333SS..Hα-helixtrans-69.4-52.3175.9-60.2178.8000110.3G145 W149 A150 A151G145-I147 PolarHBondContact O-N 2.78Å; G145-I147 VanDerWaalsContact O-N 3.12Å; I147-W149 VanDerWaalsContact C-N 3.26Å; I147-W149 PolarHBondContact O-N 3.38Å; I147-A150 PolarHBondContact O-N 3.2Å; I147-A150 VanDerWaalsContact O-N 3.12Å; I147-A151 WeakPolarHBondContact O-CB 3.39Å; I147-A151 PolarHBondContact O-N 3.06Å
148D66.8Low72.7Confident102 Ų10267.4 Ų67.455%0.54537%0.371SS..Hα-helixtrans-64.7-35.6179.9-57.9-36000111.2G145 S152G145-D148 PolarHBondContact O-N 2.99Å; G145-D148 VanDerWaalsContact O-N 3.12Å; D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.36Å; D148-S152 PolarHBondContact O-N 3.09Å; D148-S152 PolarHBondContact O-OG 2.81Å
149W65.2Low71.7Confident115 Ų11568.8 Ų68.844%0.43638%0.381SS..Hα-helixtrans-60.5-49.3171.2176.288.1000111.4G145 I147 S152 K153G145-W149 WeakPolarHBondContact O-CB 3.26Å; G145-W149 PolarHBondContact O-N 3.11Å; I147-W149 VanDerWaalsContact C-N 3.26Å; I147-W149 PolarHBondContact O-N 3.38Å; W149-S152 PolarHBondContact O-N 2.63Å; W149-S152 PolarHBondContact O-OG 2.81Å; W149-K153 HydrophobicContact CD2-CG 4.3Å; W149-K153 HydrophobicContact CH2-CG 4.26Å; W149-K153 HydrophobicContact CZ2-CD 4.48Å; W149-K153 HydrophobicContact CZ2-CG 3.9Å; W149-K153 PolarHBondContact O-N 3.14Å
150A54.9Low71.1Confident32 Ų3272.5 Ų72.526%0.26440%0.404SS..Hα-helixtrans-64.2-42.1179.200000112W146 I147 S152 K153 L154W146-A150 WeakPolarHBondContact O-CB 3.36Å; W146-A150 PolarHBondContact O-N 2.99Å; I147-A150 PolarHBondContact O-N 3.2Å; I147-A150 VanDerWaalsContact O-N 3.12Å; A150-S152 VanDerWaalsContact C-N 3.33Å; A150-S152 PolarHBondContact O-N 3.14Å; A150-K153 PolarHBondContact O-N 3.13Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.47Å
151A64.3Low70.6Confident55 Ų5571.4 Ų71.446%0.45540%0.398SS..Hα-helixtrans-61-41174.300000111.8I147 K153 L154 S155I147-A151 WeakPolarHBondContact O-CB 3.39Å; I147-A151 PolarHBondContact O-N 3.06Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.19Å; A151-L154 PolarHBondContact O-N 3.17Å; A151-S155 WeakPolarHBondContact O-CB 3.21Å; A151-S155 PolarHBondContact O-N 3.3Å; A151-S155 PolarHBondContact O-OG 2.89Å
152S64.1Low70.3Confident23 Ų2371.6 Ų71.616%0.16140%0.399CS..Hα-helixtrans-66.1-34.9175.5780000112.8D148 W149 A150 S155 G156D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.36Å; D148-S152 PolarHBondContact O-N 3.09Å; D148-S152 PolarHBondContact O-OG 2.81Å; W149-S152 PolarHBondContact O-N 2.63Å; W149-S152 PolarHBondContact O-OG 2.81Å; A150-S152 VanDerWaalsContact C-N 3.33Å; A150-S152 PolarHBondContact O-N 3.14Å; S152-S155 WeakPolarHBondContact CA-OG 3.45Å; S152-S155 PolarHBondContact O-OG 3.39Å; S152-S155 VanDerWaalsContact O-OG 3.13Å; S152-G156 PolarHBondContact O-N 3.2Å; S152-G156 VanDerWaalsContact O-N 3.08Å
153K62.8Low70.1Confident93 Ų9372.8 Ų72.840%0.40441%0.406SS..Hα-helixtrans-69.4-42.6175-80.6-69.1-173.8-172.90112.1W149 A150 A151 L157W149-K153 HydrophobicContact CD2-CG 4.3Å; W149-K153 HydrophobicContact CH2-CG 4.26Å; W149-K153 HydrophobicContact CZ2-CD 4.48Å; W149-K153 HydrophobicContact CZ2-CG 3.9Å; W149-K153 PolarHBondContact O-N 3.14Å; A150-K153 PolarHBondContact O-N 3.13Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.19Å; K153-L157 PolarHBondContact O-N 3.19Å
154L59.9Low70.3Confident120 Ų12072.9 Ų72.963%0.62840%0.403SS*.Hα-helixtrans-69.3-45.2179.6-71.1172.8000112.1A150 A151 G156 L157A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.47Å; A151-L154 PolarHBondContact O-N 3.17Å; L154-G156 VanDerWaalsContact C-N 3.32Å; L154-G156 PolarHBondContact O-N 3.36Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 WeakPolarHBondContact O-CB 3.21Å; L154-L157 PolarHBondContact O-N 3.29Å
155S63Low71Confident54 Ų5469.7 Ų69.738%0.37839%0.389SS..Hα-helixtrans-60.1-43.4174.349.20000111.5A151 S152 L157 T158 S159A151-S155 WeakPolarHBondContact O-CB 3.21Å; A151-S155 PolarHBondContact O-N 3.3Å; A151-S155 PolarHBondContact O-OG 2.89Å; S152-S155 WeakPolarHBondContact CA-OG 3.45Å; S152-S155 PolarHBondContact O-OG 3.39Å; S152-S155 VanDerWaalsContact O-OG 3.13Å; S155-L157 PolarHBondContact O-N 3.45Å; S155-T158 PolarHBondContact O-N 2.7Å; S155-T158 PolarHBondContact O-OG1 3.48Å; S155-S159 PolarHBondContact O-N 2.87Å; S155-S159 VanDerWaalsContact O-N 3.11Å; S155-S159 PolarHBondContact O-OG 2.95Å; S155-S159 VanDerWaalsContact O-OG 3.04Å
156G63.2Low72.3Confident34 Ų3468 Ų6835%0.35137%0.371SS..THydrogen-bonded Turntrans-60.3-14.717700000116S152 L154 T158S152-G156 PolarHBondContact O-N 3.2Å; S152-G156 VanDerWaalsContact O-N 3.08Å; L154-G156 VanDerWaalsContact C-N 3.32Å; L154-G156 PolarHBondContact O-N 3.36Å; G156-T158 VanDerWaalsContact C-N 3.34Å
157L62.7Low74.1Confident143 Ų14361.3 Ų61.375%0.74935%0.354SS*.THydrogen-bonded Turntrans-78.2-18.6174-69.5170.9000113.2K153 L154 S155K153-L157 PolarHBondContact O-N 3.19Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 WeakPolarHBondContact O-CB 3.21Å; L154-L157 PolarHBondContact O-N 3.29Å; S155-L157 PolarHBondContact O-N 3.45Å
158T67.6Low75.7Confident131 Ų13158.5 Ų58.580%0.80434%0.339SS*.THydrogen-bonded Turntrans-122.6-13.6-173.459.30000113.7S155 G156S155-T158 PolarHBondContact O-N 2.7Å; S155-T158 PolarHBondContact O-OG1 3.48Å; G156-T158 VanDerWaalsContact C-N 3.34Å
159S76.8Confident77.2Confident41 Ų4153.7 Ų53.729%0.28731%0.313SS..SBendtrans-102.3152.2-178.962.20000113.1S155 T164S155-S159 PolarHBondContact O-N 2.87Å; S155-S159 VanDerWaalsContact O-N 3.11Å; S155-S159 PolarHBondContact O-OG 2.95Å; S155-S159 VanDerWaalsContact O-OG 3.04Å; S159-T164 PolarHBondContact OG-OG1 3.02Å
160T86.1Confident78.7Confident78 Ų7848.3 Ų48.348%0.47929%0.292SS..  trans-73.7156168.271.80000110.8P162 D163 T164T160-P162 VanDerWaalsContact C-CD 3.5Å; T160-P162 WeakPolarHBondContact OG1-CD 3.01Å; T160-D163 WeakPolarHBondContact O-CB 3.33Å; T160-D163 PolarHBondContact O-N 2.97Å; T160-D163 VanDerWaalsContact OG1-CG 3.26Å; T160-D163 PolarHBondContact OG1-OD2 2.84Å; T160-T164 PolarHBondContact O-N 3.49Å; T160-T164 VanDerWaalsContact O-N 3.16Å; T160-T164 PolarHBondContact O-OG1 2.93Å
161I86.3Confident80.7Confident14 Ų1447 Ų477%0.07228%0.281CS..Hα-helixtrans-60.3-37.6-178.8-165.455.8000113.6D163 T164 V165 H195 L198 W202I161-D163 VanDerWaalsContact C-N 3.33Å; I161-D163 PolarHBondContact O-N 2.75Å; I161-T164 PolarHBondContact O-N 2.82Å; I161-V165 HydrophobicContact CD1-CG2 3.93Å; I161-V165 HydrophobicContact CG1-CG2 4.14Å; I161-V165 WeakPolarHBondContact O-CG2 3.33Å; I161-V165 PolarHBondContact O-N 3.09Å; I161-H195 HydrophobicContact CG2-CB 3.87Å; I161-L198 HydrophobicContact CG1-CD2 3.76Å; I161-L198 HydrophobicContact CG1-CG 3.84Å; I161-L198 HydrophobicContact CG2-CD2 4.07Å; I161-W202 HydrophobicContact CD1-CB 4.4Å; I161-W202 HydrophobicContact CD1-CG 4.23Å
162P89.8Confident82.1Confident5 Ų550.6 Ų50.63%0.03229%0.289CS..Hα-helixtrans-59.8-41.2171.4-20.932.6000112.8T160 T164 V165 L166 I189T160-P162 VanDerWaalsContact C-CD 3.5Å; T160-P162 WeakPolarHBondContact OG1-CD 3.01Å; P162-T164 PolarHBondContact O-N 3.34Å; P162-V165 PolarHBondContact O-N 2.69Å; P162-L166 WeakPolarHBondContact O-CB 3.5Å; P162-L166 WeakPolarHBondContact O-CD1 3.39Å; P162-L166 WeakPolarHBondContact O-CG 3.48Å; P162-L166 PolarHBondContact O-N 3.45Å; P162-I189 HydrophobicContact CB-CB 4.46Å; P162-I189 HydrophobicContact CB-CG2 4.09Å; P162-I189 HydrophobicContact CG-CG2 3.91Å
163D88.1Confident83.5Confident66 Ų6653.9 Ų53.935%0.35331%0.305SS..Hα-helixtrans-64.3-29.8179.2-67.8-42.9000112.8T160 I161 P167 R186T160-D163 WeakPolarHBondContact O-CB 3.33Å; T160-D163 PolarHBondContact O-N 2.97Å; T160-D163 VanDerWaalsContact OG1-CG 3.26Å; T160-D163 PolarHBondContact OG1-OD2 2.84Å; I161-D163 VanDerWaalsContact C-N 3.33Å; I161-D163 PolarHBondContact O-N 2.75Å; D163-P167 WeakPolarHBondContact O-CD 3.34Å; D163-P167 WeakPolarHBondContact O-CG 3.33Å; D163-R186 IonicContact OD1-CZ 3.72Å; D163-R186 IonicContact OD1-NH1 2.8Å; D163-R186 PolarHBondContact OD1-NH1 2.92Å; D163-R186 IonicContact OD1-NH2 3.53Å; D163-R186 PolarHBondContact OD1-NH2 3.35Å
164T89.7Confident85.2Confident20 Ų2050.5 Ų50.512%0.12329%0.29CS..Hα-helixtrans-79.4-35.9176.6-45.10000112.5S159 T160 I161 P162 W202S159-T164 PolarHBondContact OG-OG1 3.02Å; T160-T164 PolarHBondContact O-N 3.49Å; T160-T164 VanDerWaalsContact O-N 3.16Å; T160-T164 PolarHBondContact O-OG1 2.93Å; I161-T164 PolarHBondContact O-N 2.82Å; P162-T164 PolarHBondContact O-N 3.34Å; T164-W202 HydrophobicContact CG2-CZ2 3.72Å
165V93.3Very high86.9Confident0 Ų046.6 Ų46.60%027%0.269CS..Hα-helixtrans-86.4-33.6-173.3177.40000112.7I161 P162 H168 L169 W202I161-V165 HydrophobicContact CD1-CG2 3.93Å; I161-V165 HydrophobicContact CG1-CG2 4.14Å; I161-V165 WeakPolarHBondContact O-CG2 3.33Å; I161-V165 PolarHBondContact O-N 3.09Å; P162-V165 PolarHBondContact O-N 2.69Å; V165-H168 WeakPolarHBondContact O-CB 3.49Å; V165-H168 PolarHBondContact O-N 3.42Å; V165-L169 HydrophobicContact CG1-CD1 3.96Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 PolarHBondContact O-N 3.26Å; V165-W202 HydrophobicContact CG2-CD2 3.99Å; V165-W202 HydrophobicContact CG2-CE3 3.88Å; V165-W202 HydrophobicContact CG2-CG 4.42Å; V165-W202 HydrophobicContact CG2-CZ3 4.3Å
166L95.9Very high88.4Confident0 Ų048.8 Ų48.80%028%0.28CS..Hα-helixtrans-59.1-42.4-178.3-70.9167.1000113.9P162 H168 L169 F170 M175 R186 I189P162-L166 WeakPolarHBondContact O-CB 3.5Å; P162-L166 WeakPolarHBondContact O-CD1 3.39Å; P162-L166 WeakPolarHBondContact O-CG 3.48Å; P162-L166 PolarHBondContact O-N 3.45Å; L166-H168 PolarHBondContact O-N 2.91Å; L166-L169 PolarHBondContact O-N 3.44Å; L166-F170 HydrophobicContact CB-CD2 4.45Å; L166-F170 HydrophobicContact CD2-CD2 3.82Å; L166-F170 HydrophobicContact CD2-CE2 3.54Å; L166-F170 PolarHBondContact O-N 2.9Å; L166-M175 HydrophobicContact CB-CE 3.83Å; L166-M175 HydrophobicContact CB-SD 3.83Å; L166-R186 HydrophobicContact CD1-CB 3.69Å; L166-R186 HydrophobicContact CD1-CG 3.93Å; L166-I189 HydrophobicContact CD2-CD1 3.99Å; L166-I189 HydrophobicContact CG-CD1 4.43Å
167P95Very high90Very high61 Ų6152.9 Ų52.940%0.39629%0.294SS..Hα-helixtrans-64.2-17175.4-22.234.1000114.6D163 M175 P238D163-P167 WeakPolarHBondContact O-CD 3.34Å; D163-P167 WeakPolarHBondContact O-CG 3.33Å; P167-M175 HydrophobicContact CG-CE 4.27Å; P167-P238 WeakPolarHBondContact O-CG 3.29Å
168H95.2Very high91.6Very high42 Ų4249.3 Ų49.319%0.19428%0.276CS..Hα-helixtrans-80.7-31.5172.2165.786.7000111.9D38 V165 L166 W202 Y205D38-H168 IonicContact OD1-NE2 3.54Å; D38-H168 PolarHBondContact OD1-NE2 2.88Å; D38-H168 IonicContact OD2-CD2 3.47Å; D38-H168 IonicContact OD2-CE1 3.8Å; D38-H168 IonicContact OD2-NE2 2.98Å; D38-H168 PolarHBondContact OD2-NE2 3.08Å; V165-H168 WeakPolarHBondContact O-CB 3.49Å; V165-H168 PolarHBondContact O-N 3.42Å; L166-H168 PolarHBondContact O-N 2.91Å; H168-W202 HydrophobicContact CB-CH2 3.65Å; H168-W202 HydrophobicContact CB-CZ3 3.79Å; H168-W202 AromaticContact CG-CH2 3.99Å; H168-W202 AromaticContact CG-CZ3 3.73Å; H168-Y205 AromaticContact CE1-CE1 3.57Å
169L97Very high93Very high1 Ų145.3 Ų45.31%0.00525%0.251CS..Hα-helixtrans-88.6-32.9-176.6-65.6175.6000113.4D38 L41 V165 L166 I189 G265 L266D38-L169 HydrophobicContact CB-CD2 4.22Å; L41-L169 HydrophobicContact CD1-CD2 4.2Å; L41-L169 HydrophobicContact CD2-CD1 3.92Å; L41-L169 HydrophobicContact CG-CD1 4.29Å; L41-L169 HydrophobicContact CG-CD2 4.28Å; V165-L169 HydrophobicContact CG1-CD1 3.96Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 PolarHBondContact O-N 3.26Å; L166-L169 PolarHBondContact O-N 3.44Å; L169-I189 HydrophobicContact CD1-CD1 4.35Å; L169-G265 CarbonylContact O-C 3.12Å; L169-G265 WeakPolarHBondContact O-CA 3.45Å; L169-L266 HydrophobicContact CB-CD1 4.32Å; L169-L266 HydrophobicContact CD2-CD2 4.24Å
170F97.6Very high93.9Very high1 Ų151.6 Ų51.60%0.00428%0.276CS..SBendtrans-119.5145.7-169.5-63.9-73.8000112.4L166 E174 M175 L181 V182 Y185 P238 L266L166-F170 HydrophobicContact CB-CD2 4.45Å; L166-F170 HydrophobicContact CD2-CD2 3.82Å; L166-F170 HydrophobicContact CD2-CE2 3.54Å; L166-F170 PolarHBondContact O-N 2.9Å; F170-E174 HydrophobicContact CB-CB 4.14Å; F170-M175 HydrophobicContact CB-CG 3.94Å; F170-M175 HydrophobicContact CB-SD 3.91Å; F170-M175 HydrophobicContact CD2-SD 4.34Å; F170-L181 HydrophobicContact CE1-CD2 3.76Å; F170-L181 HydrophobicContact CE1-CG 3.78Å; F170-L181 HydrophobicContact CZ-CG 4.21Å; F170-V182 HydrophobicContact CB-CG2 4.05Å; F170-V182 HydrophobicContact CD1-CG2 3.87Å; F170-V182 HydrophobicContact CD2-CG2 3.96Å; F170-V182 HydrophobicContact CE1-CG2 4.31Å; F170-V182 HydrophobicContact CE2-CG2 4.39Å; F170-V182 HydrophobicContact CG-CG2 3.68Å; F170-Y185 HydrophobicContact CE2-CG 4.31Å; F170-Y185 HydrophobicContact CZ-CD1 4.23Å; F170-Y185 HydrophobicContact CZ-CD2 4.24Å; F170-Y185 AromaticContact CZ-CG 3.82Å; F170-Y185 HydrophobicContact CZ-CG 3.82Å; F170-P238 WeakPolarHBondContact O-CG 3.39Å; F170-L266 HydrophobicContact CD1-CD1 4.46Å; F170-L266 HydrophobicContact CE1-CD1 3.71Å; F170-L266 HydrophobicContact CE1-CG 4.33Å; F170-L266 HydrophobicContact CE2-CD1 4.5Å; F170-L266 HydrophobicContact CZ-CD1 3.74Å
171S95.7Very high94.3Very high5 Ų550 Ų504%0.03526%0.264CS..  trans-60.7157.7173.464.50000111.7D173 E174 M175 N236S171-D173 PolarHBondContact O-N 2.85Å; S171-E174 WeakPolarHBondContact CB-OE2 3.48Å; S171-E174 PolarHBondContact N-OE2 3.24Å; S171-E174 PolarHBondContact O-N 3.3Å; S171-E174 WeakPolarHBondContact OG-CB 3.29Å; S171-E174 WeakPolarHBondContact OG-CG 3.45Å; S171-E174 PolarHBondContact OG-N 2.9Å; S171-E174 PolarHBondContact OG-OE2 2.86Å; S171-M175 WeakPolarHBondContact O-CG 3.35Å; S171-M175 PolarHBondContact O-N 3.5Å; S171-N236 WeakPolarHBondContact CB-O 3.5Å
172Q94Very high94.9Very high131 Ų13149.4 Ų49.461%0.61226%0.261SS*.Hα-helixtrans-59.2-38.5178.1-171.66215.700111.7M175 V176Q172-M175 PolarHBondContact O-N 2.85Å; Q172-V176 HydrophobicContact CG-CG2 4.25Å; Q172-V176 WeakPolarHBondContact O-CB 3.37Å; Q172-V176 VanDerWaalsContact O-CG2 3.27Å; Q172-V176 WeakPolarHBondContact O-CG2 3.5Å; Q172-V176 PolarHBondContact O-N 3.29Å
173D94.8Very high95.2Very high92 Ų9253.3 Ų53.349%0.49228%0.279SS..Hα-helixtrans-65.4-41.7177.5-69.2-22.3000111.9S171 M175 N177S171-D173 PolarHBondContact O-N 2.85Å; D173-M175 VanDerWaalsContact C-N 3.32Å; D173-M175 PolarHBondContact O-N 3.39Å; D173-N177 VanDerWaalsContact O-CB 3.26Å; D173-N177 WeakPolarHBondContact O-CB 3.36Å; D173-N177 PolarHBondContact O-N 3.45Å; D173-N177 PolarHBondContact O-ND2 3.24Å
174E96.9Very high95.6Very high22 Ų2252.3 Ų52.310%0.10328%0.277CS..Hα-helixtrans-62-42.5174.6-74.4167.8118.100111.4F170 S171 N178 T179 V182 G265F170-E174 HydrophobicContact CB-CB 4.14Å; S171-E174 WeakPolarHBondContact CB-OE2 3.48Å; S171-E174 PolarHBondContact N-OE2 3.24Å; S171-E174 PolarHBondContact O-N 3.3Å; S171-E174 WeakPolarHBondContact OG-CB 3.29Å; S171-E174 WeakPolarHBondContact OG-CG 3.45Å; S171-E174 PolarHBondContact OG-N 2.9Å; S171-E174 PolarHBondContact OG-OE2 2.86Å; E174-N178 PolarHBondContact O-N 2.86Å; E174-T179 HydrophobicContact CB-CG2 4.35Å; E174-T179 HydrophobicContact CG-CG2 4.38Å; E174-T179 PolarHBondContact O-N 3.4Å; E174-V182 HydrophobicContact CB-CG2 4Å; E174-G265 PolarHBondContact OE2-N 3.44Å
175M95.8Very high96Very high37 Ų3751.9 Ų51.918%0.18227%0.274CS..Hα-helixtrans-66.3-46.8179.9-72.7-61.9-60.700112.3L166 P167 F170 S171 Q172 D173 N178 V182L166-M175 HydrophobicContact CB-CE 3.83Å; L166-M175 HydrophobicContact CB-SD 3.83Å; P167-M175 HydrophobicContact CG-CE 4.27Å; F170-M175 HydrophobicContact CB-CG 3.94Å; F170-M175 HydrophobicContact CB-SD 3.91Å; F170-M175 HydrophobicContact CD2-SD 4.34Å; S171-M175 WeakPolarHBondContact O-CG 3.35Å; S171-M175 PolarHBondContact O-N 3.5Å; Q172-M175 PolarHBondContact O-N 2.85Å; D173-M175 VanDerWaalsContact C-N 3.32Å; D173-M175 PolarHBondContact O-N 3.39Å; M175-N178 PolarHBondContact O-N 3.15Å; M175-V182 HydrophobicContact SD-CG1 3.83Å; M175-V182 HydrophobicContact SD-CG2 4.21Å
176V96Very high96.1Very high100 Ų10055.4 Ų55.461%0.60629%0.287SS*.Hα-helixtrans-66.4-42.2179.9169.30000111.1Q172 N178Q172-V176 HydrophobicContact CG-CG2 4.25Å; Q172-V176 WeakPolarHBondContact O-CB 3.37Å; Q172-V176 VanDerWaalsContact O-CG2 3.27Å; Q172-V176 WeakPolarHBondContact O-CG2 3.5Å; Q172-V176 PolarHBondContact O-N 3.29Å; V176-N178 PolarHBondContact O-N 3.37Å
177N96.6Very high96.1Very high121 Ų12161.1 Ų61.165%0.64731%0.314SS*.THydrogen-bonded Turntrans-76.8-7.6177.5-67.4-53.3000113D173 T179D173-N177 VanDerWaalsContact O-CB 3.26Å; D173-N177 WeakPolarHBondContact O-CB 3.36Å; D173-N177 PolarHBondContact O-N 3.45Å; D173-N177 PolarHBondContact O-ND2 3.24Å; N177-T179 VanDerWaalsContact C-N 3.3Å; N177-T179 HydrophobicContact CB-CG2 4.33Å; N177-T179 PolarHBondContact O-N 3.08Å
178N95.8Very high96.1Very high68 Ų6861 Ų6136%0.36431%0.308SS..THydrogen-bonded Turntrans46.453.9-179.4-172.841.4000111.6E174 M175 V176 Q183E174-N178 PolarHBondContact O-N 2.86Å; M175-N178 PolarHBondContact O-N 3.15Å; V176-N178 PolarHBondContact O-N 3.37Å; N178-Q183 PolarHBondContact ND2-NE2 2.96Å; N178-Q183 VanDerWaalsContact ND2-NE2 3.14Å; N178-Q183 PolarHBondContact O-NE2 2.98Å; N178-Q183 VanDerWaalsContact OD1-CG 3.3Å; N178-Q183 WeakPolarHBondContact OD1-CG 3.34Å
179T96.2Very high96.1Very high47 Ų4759 Ų5929%0.28830%0.299SS..  trans-55.9159.7-175.564.70000111.9E174 N177 L181 V182 Q183E174-T179 HydrophobicContact CB-CG2 4.35Å; E174-T179 HydrophobicContact CG-CG2 4.38Å; E174-T179 PolarHBondContact O-N 3.4Å; N177-T179 VanDerWaalsContact C-N 3.3Å; N177-T179 HydrophobicContact CB-CG2 4.33Å; N177-T179 PolarHBondContact O-N 3.08Å; T179-L181 PolarHBondContact O-N 2.95Å; T179-L181 VanDerWaalsContact O-N 3.13Å; T179-V182 PolarHBondContact O-N 3.4Å; T179-V182 WeakPolarHBondContact OG1-CG2 3.27Å; T179-V182 PolarHBondContact OG1-N 3.48Å; T179-Q183 WeakPolarHBondContact O-CG 3.49Å; T179-Q183 PolarHBondContact O-N 2.95Å
180E96.4Very high96Very high172 Ų17261.9 Ų61.980%0.80432%0.316SS*.Hα-helixtrans-54.2-35.3176.9-66.1-176.617600112.2Q183 S184E180-Q183 PolarHBondContact O-N 3.2Å; E180-S184 VanDerWaalsContact O-CB 3.25Å; E180-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 PolarHBondContact O-N 3.47Å
181L95.3Very high95.7Very high46 Ų4667.9 Ų67.924%0.24135%0.348CS..Hα-helixtrans-64.8-47.2176.3-170.363.6000111.5F170 T179 Q183 S184 Y185 L269 T270F170-L181 HydrophobicContact CE1-CD2 3.76Å; F170-L181 HydrophobicContact CE1-CG 3.78Å; F170-L181 HydrophobicContact CZ-CG 4.21Å; T179-L181 PolarHBondContact O-N 2.95Å; T179-L181 VanDerWaalsContact O-N 3.13Å; L181-Q183 PolarHBondContact O-N 3.35Å; L181-S184 PolarHBondContact O-N 3.46Å; L181-Y185 HydrophobicContact CD1-CD2 3.73Å; L181-Y185 HydrophobicContact CD1-CE2 3.45Å; L181-Y185 VanDerWaalsContact CD1-CE2 3.45Å; L181-Y185 HydrophobicContact CG-CD2 4.22Å; L181-Y185 HydrophobicContact CG-CE2 4.33Å; L181-Y185 WeakPolarHBondContact O-CD2 3.44Å; L181-Y185 PolarHBondContact O-N 3.07Å; L181-L269 HydrophobicContact CD1-CD1 4.43Å; L181-L269 HydrophobicContact CD2-CB 4.5Å; L181-T270 HydrophobicContact CD2-CG2 3.83Å
182V96.9Very high95.4Very high1 Ų170.4 Ų70.41%0.00637%0.366CS..Hα-helixtrans-60.7-45.1176.2170.70000111F170 E174 M175 T179 Y185 R186F170-V182 HydrophobicContact CB-CG2 4.05Å; F170-V182 HydrophobicContact CD1-CG2 3.87Å; F170-V182 HydrophobicContact CD2-CG2 3.96Å; F170-V182 HydrophobicContact CE1-CG2 4.31Å; F170-V182 HydrophobicContact CE2-CG2 4.39Å; F170-V182 HydrophobicContact CG-CG2 3.68Å; E174-V182 HydrophobicContact CB-CG2 4Å; M175-V182 HydrophobicContact SD-CG1 3.83Å; M175-V182 HydrophobicContact SD-CG2 4.21Å; T179-V182 PolarHBondContact O-N 3.4Å; T179-V182 WeakPolarHBondContact OG1-CG2 3.27Å; T179-V182 PolarHBondContact OG1-N 3.48Å; V182-Y185 PolarHBondContact O-N 3.34Å; V182-R186 VanDerWaalsContact O-CB 3.26Å; V182-R186 WeakPolarHBondContact O-CB 3.49Å; V182-R186 PolarHBondContact O-N 3.46Å
183Q97.1Very high95.3Very high86 Ų8664.7 Ų64.740%0.40234%0.339SS..Hα-helixtrans-61.3-45.8177.8-66.5179.627.700111.8N178 T179 E180 L181 R186 Q187N178-Q183 PolarHBondContact ND2-NE2 2.96Å; N178-Q183 VanDerWaalsContact ND2-NE2 3.14Å; N178-Q183 PolarHBondContact O-NE2 2.98Å; N178-Q183 VanDerWaalsContact OD1-CG 3.3Å; N178-Q183 WeakPolarHBondContact OD1-CG 3.34Å; T179-Q183 WeakPolarHBondContact O-CG 3.49Å; T179-Q183 PolarHBondContact O-N 2.95Å; E180-Q183 PolarHBondContact O-N 3.2Å; L181-Q183 PolarHBondContact O-N 3.35Å; Q183-R186 WeakPolarHBondContact O-CB 3.39Å; Q183-R186 PolarHBondContact O-N 3.39Å; Q183-Q187 WeakPolarHBondContact O-CG 3.42Å; Q183-Q187 PolarHBondContact O-N 3Å; Q183-Q187 VanDerWaalsContact O-N 3.09Å
184S96.8Very high95.4Very high46 Ų4661.9 Ų61.932%0.32232%0.324SS..Hα-helixtrans-62.3-46.6178.5178.40000111.7E180 L181 Q187 Q188E180-S184 VanDerWaalsContact O-CB 3.25Å; E180-S184 WeakPolarHBondContact O-CB 3.39Å; E180-S184 PolarHBondContact O-N 3.47Å; L181-S184 PolarHBondContact O-N 3.46Å; S184-Q187 PolarHBondContact O-N 3.22Å; S184-Q188 WeakPolarHBondContact O-CG 3.42Å; S184-Q188 PolarHBondContact O-N 2.94Å; S184-Q188 PolarHBondContact OG-NE2 3.49Å
185Y96.8Very high95.3Very high11 Ų1163.9 Ų63.94%0.04333%0.334CS..Hα-helixtrans-70-35.8-179.6-85.9-111.3000112L41 M45 F170 L181 V182 Q187 Q188 I189 L266 L269L41-Y185 HydrophobicContact CD2-CD1 3.58Å; L41-Y185 HydrophobicContact CD2-CE1 3.45Å; L41-Y185 VanDerWaalsContact CD2-CE1 3.45Å; M45-Y185 HydrophobicContact CB-CE1 4.09Å; M45-Y185 HydrophobicContact CE-CD1 3.81Å; M45-Y185 HydrophobicContact CE-CE1 4.04Å; M45-Y185 PolarHBondContact O-OH 2.84Å; F170-Y185 HydrophobicContact CE2-CG 4.31Å; F170-Y185 HydrophobicContact CZ-CD1 4.23Å; F170-Y185 HydrophobicContact CZ-CD2 4.24Å; F170-Y185 AromaticContact CZ-CG 3.82Å; F170-Y185 HydrophobicContact CZ-CG 3.82Å; L181-Y185 HydrophobicContact CD1-CD2 3.73Å; L181-Y185 HydrophobicContact CD1-CE2 3.45Å; L181-Y185 VanDerWaalsContact CD1-CE2 3.45Å; L181-Y185 HydrophobicContact CG-CD2 4.22Å; L181-Y185 HydrophobicContact CG-CE2 4.33Å; L181-Y185 WeakPolarHBondContact O-CD2 3.44Å; L181-Y185 PolarHBondContact O-N 3.07Å; V182-Y185 PolarHBondContact O-N 3.34Å; Y185-Q187 VanDerWaalsContact C-N 3.32Å; Y185-Q187 PolarHBondContact O-N 3.38Å; Y185-Q188 PolarHBondContact O-N 3.34Å; Y185-I189 WeakPolarHBondContact O-CB 3.47Å; Y185-I189 WeakPolarHBondContact O-CG1 3.46Å; Y185-I189 PolarHBondContact O-N 3.33Å; Y185-L266 HydrophobicContact CE1-CD1 4.49Å; Y185-L269 HydrophobicContact CE1-CD1 3.96Å; Y185-L269 HydrophobicContact CE2-CD1 3.98Å; Y185-L269 VanDerWaalsContact CZ-CD1 3.42Å; Y185-L269 WeakPolarHBondContact OH-CD1 3.46Å
186R96.6Very high95.3Very high73 Ų7366.9 Ų66.928%0.27535%0.347SS..Hα-helixtrans-55.2-48.3170.2-179.6178.3-71.6-79.23111.5D163 L166 V182 Q183 T190D163-R186 IonicContact OD1-CZ 3.72Å; D163-R186 IonicContact OD1-NH1 2.8Å; D163-R186 PolarHBondContact OD1-NH1 2.92Å; D163-R186 IonicContact OD1-NH2 3.53Å; D163-R186 PolarHBondContact OD1-NH2 3.35Å; L166-R186 HydrophobicContact CD1-CB 3.69Å; L166-R186 HydrophobicContact CD1-CG 3.93Å; V182-R186 VanDerWaalsContact O-CB 3.26Å; V182-R186 WeakPolarHBondContact O-CB 3.49Å; V182-R186 PolarHBondContact O-N 3.46Å; Q183-R186 WeakPolarHBondContact O-CB 3.39Å; Q183-R186 PolarHBondContact O-N 3.39Å; R186-T190 WeakPolarHBondContact O-CB 3.37Å; R186-T190 PolarHBondContact O-N 3.27Å; R186-T190 PolarHBondContact O-OG1 2.8Å
187Q95.8Very high95.4Very high121 Ų12162.1 Ų62.157%0.56532%0.318SS*.Hα-helixtrans-65.6-43.4178.2-71178.1-2.100112Q183 S184 Y185 T190 N191Q183-Q187 WeakPolarHBondContact O-CG 3.42Å; Q183-Q187 PolarHBondContact O-N 3Å; Q183-Q187 VanDerWaalsContact O-N 3.09Å; S184-Q187 PolarHBondContact O-N 3.22Å; Y185-Q187 VanDerWaalsContact C-N 3.32Å; Y185-Q187 PolarHBondContact O-N 3.38Å; Q187-T190 PolarHBondContact O-N 3.3Å; Q187-N191 WeakPolarHBondContact O-CB 3.38Å; Q187-N191 PolarHBondContact O-N 3.49Å; Q187-N191 PolarHBondContact O-ND2 3.1Å
188Q94.9Very high95.4Very high59 Ų5956.3 Ų56.328%0.27629%0.287SS..Hα-helixtrans-64.9-43179.4-72.1-179.16800112.5M45 S184 Y185 T190 N191 S192M45-Q188 HydrophobicContact CE-CB 3.59Å; M45-Q188 HydrophobicContact SD-CB 4.23Å; S184-Q188 WeakPolarHBondContact O-CG 3.42Å; S184-Q188 PolarHBondContact O-N 2.94Å; S184-Q188 PolarHBondContact OG-NE2 3.49Å; Y185-Q188 PolarHBondContact O-N 3.34Å; Q188-T190 VanDerWaalsContact C-N 3.28Å; Q188-T190 PolarHBondContact O-N 3.16Å; Q188-N191 PolarHBondContact O-N 2.94Å; Q188-S192 WeakPolarHBondContact O-CA 3.38Å; Q188-S192 WeakPolarHBondContact O-CB 3.01Å; Q188-S192 PolarHBondContact O-N 3.38Å; Q188-S192 PolarHBondContact O-OG 3.15Å
189I95.4Very high95.4Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-62.3-41.3174.3-64.2169.4000109.9G40 M45 P162 L166 L169 Y185 I193 H195 L198G40-I189 WeakPolarHBondContact O-CG1 3.18Å; M45-I189 HydrophobicContact CE-CG1 4.1Å; P162-I189 HydrophobicContact CB-CB 4.46Å; P162-I189 HydrophobicContact CB-CG2 4.09Å; P162-I189 HydrophobicContact CG-CG2 3.91Å; L166-I189 HydrophobicContact CD2-CD1 3.99Å; L166-I189 HydrophobicContact CG-CD1 4.43Å; L169-I189 HydrophobicContact CD1-CD1 4.35Å; Y185-I189 WeakPolarHBondContact O-CB 3.47Å; Y185-I189 WeakPolarHBondContact O-CG1 3.46Å; Y185-I189 PolarHBondContact O-N 3.33Å; I189-I193 HydrophobicContact CG1-CD1 4.18Å; I189-H195 PolarHBondContact O-CD2 3.21Å; I189-H195 PolarHBondContact O-NE2 2.86Å; I189-L198 HydrophobicContact CG2-CD2 3.71Å
190T94.1Very high95.4Very high60 Ų6056.4 Ų56.437%0.36828%0.284SS..Hα-helixtrans-64.5-41.5-180-57.40000112.2R186 Q187 Q188 H195R186-T190 WeakPolarHBondContact O-CB 3.37Å; R186-T190 PolarHBondContact O-N 3.27Å; R186-T190 PolarHBondContact O-OG1 2.8Å; Q187-T190 PolarHBondContact O-N 3.3Å; Q188-T190 VanDerWaalsContact C-N 3.28Å; Q188-T190 PolarHBondContact O-N 3.16Å; T190-H195 WeakPolarHBondContact CA-NE2 3.5Å; T190-H195 PolarHBondContact O-CE1 3Å; T190-H195 VanDerWaalsContact O-CE1 3.3Å; T190-H195 PolarHBondContact O-NE2 3.31Å
191N91.6Very high95.5Very high127 Ų12748.2 Ų48.268%0.67925%0.245SC*.Hα-helixtrans-103.8-24.5-166.9-62.9-26.9000114.7Q187 Q188Q187-N191 WeakPolarHBondContact O-CB 3.38Å; Q187-N191 PolarHBondContact O-N 3.49Å; Q187-N191 PolarHBondContact O-ND2 3.1Å; Q188-N191 PolarHBondContact O-N 2.94Å
192S89.6Confident95.5Very high59 Ų5946.6 Ų46.641%0.41324%0.236SC..Hα-helixtrans-114.6-18.4-167.5-53.50000114.2Q188Q188-S192 WeakPolarHBondContact O-CA 3.38Å; Q188-S192 WeakPolarHBondContact O-CB 3.01Å; Q188-S192 PolarHBondContact O-N 3.38Å; Q188-S192 PolarHBondContact O-OG 3.15Å
193I93.1Very high95.4Very high10 Ų1049.1 Ų49.15%0.05125%0.249CC..SBendtrans-104.7139.4-179.1-58.3-176.9000109.5G40 M45 I189 H195 L198G40-I193 VanDerWaalsContact C-CD1 3.48Å; G40-I193 WeakPolarHBondContact O-CD1 3.25Å; M45-I193 HydrophobicContact CE-CD1 4.28Å; M45-I193 HydrophobicContact SD-CD1 3.86Å; M45-I193 HydrophobicContact SD-CG1 4.22Å; I189-I193 HydrophobicContact CG1-CD1 4.18Å; I193-H195 PolarHBondContact O-CD2 3.01Å; I193-H195 PolarHBondContact O-N 3.35Å; I193-L198 HydrophobicContact CG2-CB 3.87Å; I193-L198 HydrophobicContact CG2-CD2 4.1Å; I193-L198 HydrophobicContact CG2-CG 4.42Å
194N96.3Very high95.3Very high33 Ų3346.5 Ų46.518%0.17624%0.238CC..  trans-70.1112.6172-176.2-65.7000110.2Q79 Q196 N197 L198Q79-N194 WeakPolarHBondContact CA-ND2 3.12Å; Q79-N194 WeakPolarHBondContact CB-ND2 3.5Å; Q79-N194 PolarHBondContact N-ND2 3.07Å; N194-Q196 PolarHBondContact O-N 2.91Å; N194-Q196 PolarHBondContact OD1-N 3.32Å; N194-Q196 PolarHBondContact OD1-OE1 2.95Å; N194-N197 HydrophobicContact CB-CB 4.02Å; N194-N197 PolarHBondContact O-N 2.96Å; N194-N197 VanDerWaalsContact OD1-CG 3.3Å; N194-N197 PolarHBondContact OD1-N 3.13Å; N194-N197 PolarHBondContact OD1-OD1 2.81Å; N194-L198 WeakPolarHBondContact O-CB 3.44Å; N194-L198 PolarHBondContact O-N 2.66Å
195H94.8Very high95.3Very high64 Ų6444.5 Ų44.530%0.29622%0.223SC..Hα-helixtrans-65.7-34.9-171.5-66.6177000113.5I161 I189 T190 I193 L198 Q199I161-H195 HydrophobicContact CG2-CB 3.87Å; I189-H195 PolarHBondContact O-CD2 3.21Å; I189-H195 PolarHBondContact O-NE2 2.86Å; T190-H195 WeakPolarHBondContact CA-NE2 3.5Å; T190-H195 PolarHBondContact O-CE1 3Å; T190-H195 VanDerWaalsContact O-CE1 3.3Å; T190-H195 PolarHBondContact O-NE2 3.31Å; I193-H195 PolarHBondContact O-CD2 3.01Å; I193-H195 PolarHBondContact O-N 3.35Å; H195-L198 PolarHBondContact O-N 3.35Å; H195-Q199 WeakPolarHBondContact O-CB 3.16Å; H195-Q199 PolarHBondContact O-N 3.1Å
196Q95.3Very high95.1Very high100 Ų10044.3 Ų44.347%0.46722%0.223SC..Hα-helixtrans-69.8-43.1178.4-64.379.5-4.600110.6Q79 N194 L198 Q199 L200Q79-Q196 HydrophobicContact CG-CB 3.74Å; Q79-Q196 HydrophobicContact CG-CG 4.1Å; N194-Q196 PolarHBondContact O-N 2.91Å; N194-Q196 PolarHBondContact OD1-N 3.32Å; N194-Q196 PolarHBondContact OD1-OE1 2.95Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; Q196-Q199 PolarHBondContact O-N 3.28Å; Q196-L200 WeakPolarHBondContact O-CG 3.46Å; Q196-L200 PolarHBondContact O-N 3.48Å; Q196-L200 VanDerWaalsContact O-N 3.16Å
197N97.5Very high94.9Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-65.6-39.9174.2-64.2-6.3000111.2G72 Q73 T78 F80 N194 L200 F201G72-N197 WeakPolarHBondContact CA-ND2 3.31Å; G72-N197 WeakPolarHBondContact O-CB 3.26Å; G72-N197 PolarHBondContact O-ND2 2.47Å; G72-N197 VanDerWaalsContact O-ND2 3.16Å; Q73-N197 VanDerWaalsContact NE2-C 3.35Å; Q73-N197 PolarHBondContact NE2-O 3.18Å; Q73-N197 VanDerWaalsContact NE2-O 3.08Å; T78-N197 PolarHBondContact O-ND2 3.17Å; F80-N197 HydrophobicContact CD2-CB 4.27Å; F80-N197 WeakPolarHBondContact CD2-OD1 3.47Å; F80-N197 PolarHBondContact N-OD1 3.26Å; N194-N197 HydrophobicContact CB-CB 4.02Å; N194-N197 PolarHBondContact O-N 2.96Å; N194-N197 VanDerWaalsContact OD1-CG 3.3Å; N194-N197 PolarHBondContact OD1-N 3.13Å; N194-N197 PolarHBondContact OD1-OD1 2.81Å; N197-L200 WeakPolarHBondContact O-CB 3.47Å; N197-L200 PolarHBondContact O-N 3.31Å; N197-F201 PolarHBondContact O-N 2.99Å; N197-F201 VanDerWaalsContact O-N 3.08Å
198L97.2Very high94.8Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-61.8-43.7175.617558.2000111.4V39 G40 I161 I189 I193 N194 H195 Q196 L200 F201 W202V39-L198 HydrophobicContact CG1-CD1 3.6Å; G40-L198 VanDerWaalsContact N-CD1 3.28Å; I161-L198 HydrophobicContact CG1-CD2 3.76Å; I161-L198 HydrophobicContact CG1-CG 3.84Å; I161-L198 HydrophobicContact CG2-CD2 4.07Å; I189-L198 HydrophobicContact CG2-CD2 3.71Å; I193-L198 HydrophobicContact CG2-CB 3.87Å; I193-L198 HydrophobicContact CG2-CD2 4.1Å; I193-L198 HydrophobicContact CG2-CG 4.42Å; N194-L198 WeakPolarHBondContact O-CB 3.44Å; N194-L198 PolarHBondContact O-N 2.66Å; H195-L198 PolarHBondContact O-N 3.35Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 PolarHBondContact O-N 3.3Å; L198-F201 PolarHBondContact O-N 3.03Å; L198-W202 VanDerWaalsContact O-CB 3.3Å; L198-W202 WeakPolarHBondContact O-CB 3.43Å; L198-W202 PolarHBondContact O-N 3.01Å
199Q95.3Very high94.8Very high67 Ų6745.1 Ų45.131%0.31323%0.228SC..Hα-helixtrans-59-39.7176-175.869.356.100111.6H195 Q196 N203H195-Q199 WeakPolarHBondContact O-CB 3.16Å; H195-Q199 PolarHBondContact O-N 3.1Å; Q196-Q199 PolarHBondContact O-N 3.28Å; Q199-N203 PolarHBondContact NE2-OD1 3.24Å; Q199-N203 VanDerWaalsContact O-CB 3.24Å; Q199-N203 WeakPolarHBondContact O-CB 3.47Å; Q199-N203 PolarHBondContact O-N 3.14Å; Q199-N203 PolarHBondContact O-ND2 3.4Å; Q199-N203 VanDerWaalsContact O-ND2 3.17Å
200L96.6Very high94.8Very high49 Ų4949.3 Ų49.326%0.25725%0.251SS..Hα-helixtrans-62.9-47.6175.7-69.1170.3000111.4F80 Y84 Y86 Q196 N197 L198 N203 M204F80-L200 HydrophobicContact CB-CD1 4.19Å; F80-L200 HydrophobicContact CD2-CD1 4.04Å; Y84-L200 HydrophobicContact CD1-CD1 4.16Å; Y86-L200 HydrophobicContact CD2-CB 3.61Å; Y86-L200 HydrophobicContact CD2-CD1 4.21Å; Y86-L200 HydrophobicContact CE2-CB 4.27Å; Y86-L200 HydrophobicContact CG-CB 3.9Å; Q196-L200 WeakPolarHBondContact O-CG 3.46Å; Q196-L200 PolarHBondContact O-N 3.48Å; Q196-L200 VanDerWaalsContact O-N 3.16Å; N197-L200 WeakPolarHBondContact O-CB 3.47Å; N197-L200 PolarHBondContact O-N 3.31Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 PolarHBondContact O-N 3.3Å; L200-N203 PolarHBondContact O-N 3.47Å; L200-M204 WeakPolarHBondContact O-CB 3.17Å; L200-M204 PolarHBondContact O-N 3.07Å
201F98.1Very high94.7Very high0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-65.1-43.4178.8-174.6-149.1000112.2H37 V39 A70 Q73 Y86 L92 A115 I119 N197 L198 M204 Y205H37-F201 AromaticContact CE1-CE1 3.99Å; V39-F201 HydrophobicContact CB-CD1 4.21Å; V39-F201 HydrophobicContact CB-CE1 4.2Å; V39-F201 HydrophobicContact CG1-CD1 4Å; V39-F201 HydrophobicContact CG1-CE1 4.49Å; V39-F201 HydrophobicContact CG1-CG 4.47Å; V39-F201 HydrophobicContact CG2-CD1 3.95Å; V39-F201 HydrophobicContact CG2-CE1 3.77Å; V39-F201 HydrophobicContact CG2-CE2 4.37Å; V39-F201 HydrophobicContact CG2-CG 4.33Å; V39-F201 HydrophobicContact CG2-CZ 4Å; A70-F201 HydrophobicContact CB-CD1 4.22Å; A70-F201 HydrophobicContact CB-CE1 3.84Å; A70-F201 HydrophobicContact CB-CE2 4.32Å; A70-F201 HydrophobicContact CB-CZ 3.9Å; Q73-F201 HydrophobicContact CG-CD1 3.92Å; Q73-F201 HydrophobicContact CG-CE1 4.49Å; Y86-F201 HydrophobicContact CE1-CB 4.06Å; Y86-F201 AromaticContact CE1-CD2 3.81Å; Y86-F201 HydrophobicContact CE1-CD2 3.81Å; Y86-F201 HydrophobicContact CE1-CG 4.3Å; L92-F201 HydrophobicContact CD1-CD2 4.39Å; L92-F201 HydrophobicContact CD1-CE2 3.96Å; A115-F201 HydrophobicContact CB-CE2 4.29Å; A115-F201 HydrophobicContact CB-CZ 3.8Å; I119-F201 HydrophobicContact CD1-CE2 4.44Å; N197-F201 PolarHBondContact O-N 2.99Å; N197-F201 VanDerWaalsContact O-N 3.08Å; L198-F201 PolarHBondContact O-N 3.03Å; F201-M204 PolarHBondContact O-N 3.02Å; F201-Y205 PolarHBondContact O-N 3.17Å
202W95.9Very high94.6Very high12 Ų1247.8 Ų47.85%0.04524%0.235CC..Hα-helixtrans-59.6-47.8174.9178-108.1000112.5V39 I161 T164 V165 H168 L198 M204 Y205 N206V39-W202 HydrophobicContact CB-CE3 4.01Å; V39-W202 HydrophobicContact CG1-CB 3.85Å; V39-W202 HydrophobicContact CG1-CD2 4.41Å; V39-W202 HydrophobicContact CG1-CE3 3.67Å; V39-W202 HydrophobicContact CG2-CE3 4.43Å; I161-W202 HydrophobicContact CD1-CB 4.4Å; I161-W202 HydrophobicContact CD1-CG 4.23Å; T164-W202 HydrophobicContact CG2-CZ2 3.72Å; V165-W202 HydrophobicContact CG2-CD2 3.99Å; V165-W202 HydrophobicContact CG2-CE3 3.88Å; V165-W202 HydrophobicContact CG2-CG 4.42Å; V165-W202 HydrophobicContact CG2-CZ3 4.3Å; H168-W202 HydrophobicContact CB-CH2 3.65Å; H168-W202 HydrophobicContact CB-CZ3 3.79Å; H168-W202 AromaticContact CG-CH2 3.99Å; H168-W202 AromaticContact CG-CZ3 3.73Å; L198-W202 VanDerWaalsContact O-CB 3.3Å; L198-W202 WeakPolarHBondContact O-CB 3.43Å; L198-W202 PolarHBondContact O-N 3.01Å; W202-M204 VanDerWaalsContact C-N 3.27Å; W202-M204 PolarHBondContact O-N 2.96Å; W202-Y205 PolarHBondContact O-N 3.01Å; W202-N206 VanDerWaalsContact CD2-ND2 3.27Å; W202-N206 WeakPolarHBondContact CZ2-ND2 3.45Å; W202-N206 PolarHBondContact NE1-ND2 3.02Å; W202-N206 WeakPolarHBondContact O-CB 3.36Å; W202-N206 PolarHBondContact O-N 3.26Å; W202-N206 PolarHBondContact O-ND2 3.33Å
203N93.9Very high94.6Very high54 Ų5445.1 Ų45.129%0.28922%0.216SC..Hα-helixtrans-59.6-42.7175.8-75.3-23.7000111Q199 L200 N206 S207Q199-N203 PolarHBondContact NE2-OD1 3.24Å; Q199-N203 VanDerWaalsContact O-CB 3.24Å; Q199-N203 WeakPolarHBondContact O-CB 3.47Å; Q199-N203 PolarHBondContact O-N 3.14Å; Q199-N203 PolarHBondContact O-ND2 3.4Å; Q199-N203 VanDerWaalsContact O-ND2 3.17Å; L200-N203 PolarHBondContact O-N 3.47Å; N203-N206 PolarHBondContact O-N 3.4Å; N203-S207 WeakPolarHBondContact O-CB 3.47Å; N203-S207 PolarHBondContact O-N 3.45Å; N203-S207 VanDerWaalsContact O-N 3.09Å; N203-S207 PolarHBondContact O-OG 3.25Å
204M95.7Very high94.3Very high32 Ų3247.9 Ų47.916%0.15823%0.231CC..Hα-helixtrans-64.7-48.4-179.3-173.952.16700111.7Y86 P87 T88 M89 L200 F201 W202 N206 S207 R208Y86-M204 HydrophobicContact CD1-CB 3.99Å; Y86-M204 HydrophobicContact CD1-CG 4.31Å; Y86-M204 WeakPolarHBondContact O-CE 3.34Å; P87-M204 WeakPolarHBondContact O-CG 3.43Å; T88-M204 VanDerWaalsContact CA-SD 3.55Å; T88-M204 HydrophobicContact CG2-CE 4.23Å; T88-M204 HydrophobicContact CG2-SD 4.3Å; M89-M204 HydrophobicContact CG-CG 4.29Å; M89-M204 HydrophobicContact SD-CG 4.15Å; L200-M204 WeakPolarHBondContact O-CB 3.17Å; L200-M204 PolarHBondContact O-N 3.07Å; F201-M204 PolarHBondContact O-N 3.02Å; W202-M204 VanDerWaalsContact C-N 3.27Å; W202-M204 PolarHBondContact O-N 2.96Å; M204-N206 VanDerWaalsContact C-N 3.3Å; M204-N206 PolarHBondContact O-N 3Å; M204-S207 CarbonylContact O-C 3.58Å; M204-S207 PolarHBondContact O-N 3.33Å; M204-S207 PolarHBondContact O-OG 2.85Å; M204-S207 PolarHBondContact SD-OG 3.22Å; M204-R208 PolarHBondContact O-N 3.42Å
205Y96.2Very high93.7Very high3 Ų350.4 Ų50.41%0.01224%0.238CC..Hα-helixtrans-59.4-40.4177.6179.4-117.6000112.1V39 M89 A115 H168 F201 W202 S207 R208V39-Y205 HydrophobicContact CG2-CD1 3.94Å; V39-Y205 HydrophobicContact CG2-CG 3.95Å; M89-Y205 HydrophobicContact CE-CD2 3.75Å; M89-Y205 HydrophobicContact CE-CE2 4.44Å; M89-Y205 HydrophobicContact SD-CD2 4.25Å; A115-Y205 VanDerWaalsContact CA-CE2 3.46Å; A115-Y205 HydrophobicContact CB-CD1 4.46Å; A115-Y205 HydrophobicContact CB-CD2 3.5Å; A115-Y205 VanDerWaalsContact CB-CD2 3.5Å; A115-Y205 HydrophobicContact CB-CE2 3.74Å; A115-Y205 HydrophobicContact CB-CG 3.9Å; H168-Y205 AromaticContact CE1-CE1 3.57Å; F201-Y205 PolarHBondContact O-N 3.17Å; W202-Y205 PolarHBondContact O-N 3.01Å; Y205-S207 PolarHBondContact O-N 2.92Å; Y205-R208 VanDerWaalsContact CZ-CZ 3.46Å; Y205-R208 VanDerWaalsContact O-CB 3.29Å; Y205-R208 WeakPolarHBondContact O-CB 3.44Å; Y205-R208 WeakPolarHBondContact O-CD 3.5Å; Y205-R208 WeakPolarHBondContact O-CG 3.45Å; Y205-R208 PolarHBondContact O-N 3.13Å; Y205-R208 PolarHBondContact O-NH1 3.38Å
206N93.3Very high92.9Very high7 Ų750 Ų504%0.03725%0.251CS..Hα-helixtrans-70.6-18.5176.6-72.8-47.8000114.2K144 W202 N203 M204K144-N206 HydrophobicContact CD-CB 4.3Å; K144-N206 VanDerWaalsContact CD-OD1 3.28Å; K144-N206 WeakPolarHBondContact CD-OD1 3.49Å; K144-N206 WeakPolarHBondContact CE-OD1 3.33Å; K144-N206 PolarHBondContact NZ-OD1 3.15Å; W202-N206 VanDerWaalsContact CD2-ND2 3.27Å; W202-N206 WeakPolarHBondContact CZ2-ND2 3.45Å; W202-N206 PolarHBondContact NE1-ND2 3.02Å; W202-N206 WeakPolarHBondContact O-CB 3.36Å; W202-N206 PolarHBondContact O-N 3.26Å; W202-N206 PolarHBondContact O-ND2 3.33Å; N203-N206 PolarHBondContact O-N 3.4Å; M204-N206 VanDerWaalsContact C-N 3.3Å; M204-N206 PolarHBondContact O-N 3Å
207S92.1Very high91.7Very high66 Ų6649.2 Ų49.246%0.46227%0.27SS..THydrogen-bonded Turntrans-96.17.2175.270.60000113.6N203 M204 Y205N203-S207 WeakPolarHBondContact O-CB 3.47Å; N203-S207 PolarHBondContact O-N 3.45Å; N203-S207 VanDerWaalsContact O-N 3.09Å; N203-S207 PolarHBondContact O-OG 3.25Å; M204-S207 CarbonylContact O-C 3.58Å; M204-S207 PolarHBondContact O-N 3.33Å; M204-S207 PolarHBondContact O-OG 2.85Å; M204-S207 PolarHBondContact SD-OG 3.22Å; Y205-S207 PolarHBondContact O-N 2.92Å
208R94.8Very high90.5Very high14 Ų1453.6 Ų53.65%0.05330%0.297CS..PPolyproline II helixtrans-57.7150.817875.2-172172-91.44.7110.7M89 Y118 D140 N142 G143 M204 Y205M89-R208 HydrophobicContact CG-CB 3.79Å; Y118-R208 HydrophobicContact CE2-CG 4.39Å; D140-R208 IonicContact OD2-CZ 2.92Å; D140-R208 IonicContact OD2-NH2 3.45Å; D140-R208 PolarHBondContact OD2-NH2 2.84Å; N142-R208 PolarHBondContact O-NE 3.45Å; N142-R208 PolarHBondContact O-NH2 3.45Å; G143-R208 WeakPolarHBondContact CA-O 3.5Å; M204-R208 PolarHBondContact O-N 3.42Å; Y205-R208 VanDerWaalsContact CZ-CZ 3.46Å; Y205-R208 VanDerWaalsContact O-CB 3.29Å; Y205-R208 WeakPolarHBondContact O-CB 3.44Å; Y205-R208 WeakPolarHBondContact O-CD 3.5Å; Y205-R208 WeakPolarHBondContact O-CG 3.45Å; Y205-R208 PolarHBondContact O-N 3.13Å; Y205-R208 PolarHBondContact O-NH1 3.38Å
209R94Very high89.4Confident191 Ų19156.8 Ų56.872%0.72132%0.317SS*.PPolyproline II helixtrans-89.2171.9170.1-62.9-178.4-176.9165.41.1109.5Y118 L211Y118-R209 PolarHBondContact OH-O 3.3Å; R209-L211 PolarHBondContact O-N 2.97Å
210D94.5Very high88.2Confident88 Ų8861.2 Ų61.247%0.47134%0.341SS..PPolyproline II helixtrans-59.9137168.7-65.2-0.9000110P141 G143 E212P141-D210 CarbonylContact O-C 3.54Å; P141-D210 WeakPolarHBondContact O-CA 3.41Å; G143-D210 PolarHBondContact N-OD1 3.19Å; D210-E212 PolarHBondContact O-N 2.86Å
211L93.5Very high86.9Confident2 Ų266.2 Ų66.21%0.0137%0.368CS..  trans-72107.1167.7-164.365.4000107.2Y118 A121 K122 L125 P141 R209 M213Y118-L211 HydrophobicContact CD2-CB 4.46Å; Y118-L211 HydrophobicContact CE1-CD1 4.46Å; Y118-L211 HydrophobicContact CE2-CB 3.85Å; Y118-L211 HydrophobicContact CE2-CD1 4.2Å; A121-L211 HydrophobicContact CB-CD2 3.59Å; K122-L211 HydrophobicContact CB-CD1 3.85Å; K122-L211 HydrophobicContact CD-CD1 3.55Å; K122-L211 HydrophobicContact CG-CD1 4.32Å; L125-L211 HydrophobicContact CD1-CD1 3.72Å; L125-L211 HydrophobicContact CD1-CD2 4.35Å; L125-L211 HydrophobicContact CD1-CG 3.82Å; P141-L211 HydrophobicContact CB-CB 4.1Å; P141-L211 WeakPolarHBondContact O-CB 3.49Å; P141-L211 PolarHBondContact O-N 3.18Å; R209-L211 PolarHBondContact O-N 2.97Å; L211-M213 VanDerWaalsContact C-N 3.25Å; L211-M213 HydrophobicContact CB-CE 4.43Å; L211-M213 HydrophobicContact CD2-CE 3.37Å; L211-M213 HydrophobicContact CD2-CG 4.39Å; L211-M213 HydrophobicContact CD2-SD 3.72Å; L211-M213 HydrophobicContact CG-CE 3.96Å; L211-M213 HydrophobicContact CG-CG 4.1Å; L211-M213 HydrophobicContact CG-SD 4.09Å; L211-M213 PolarHBondContact O-N 3.03Å
212E89Confident85.8Confident152 Ų15267.7 Ų67.771%0.7138%0.38SS*.  trans-66.581.4-176.7-64.8177.2-174.500111.5D210D210-E212 PolarHBondContact O-N 2.86Å
213M89.9Confident85.3Confident3 Ų372.2 Ų72.22%0.01540%0.4CS..  trans-130.2135.1176.8-60.8-173.3-53.800110.6L125 P141 L211 K223 L225 K249 L250L125-M213 HydrophobicContact CD1-CG 3.57Å; L125-M213 HydrophobicContact CD1-SD 3.84Å; L125-M213 HydrophobicContact CD2-CG 3.9Å; L125-M213 HydrophobicContact CD2-SD 4.07Å; L125-M213 HydrophobicContact CG-CG 4.3Å; L125-M213 HydrophobicContact CG-SD 4.27Å; P141-M213 HydrophobicContact CB-CE 4.5Å; L211-M213 VanDerWaalsContact C-N 3.25Å; L211-M213 HydrophobicContact CB-CE 4.43Å; L211-M213 HydrophobicContact CD2-CE 3.37Å; L211-M213 HydrophobicContact CD2-CG 4.39Å; L211-M213 HydrophobicContact CD2-SD 3.72Å; L211-M213 HydrophobicContact CG-CE 3.96Å; L211-M213 HydrophobicContact CG-CG 4.1Å; L211-M213 HydrophobicContact CG-SD 4.09Å; L211-M213 PolarHBondContact O-N 3.03Å; M213-K223 CarbonylContact C-O 3.57Å; M213-K223 WeakPolarHBondContact CA-O 3.44Å; M213-L225 HydrophobicContact SD-CD1 4.23Å; M213-L225 HydrophobicContact SD-CD2 4.32Å; M213-L225 HydrophobicContact SD-CG 3.83Å; M213-K249 HydrophobicContact CB-CB 4.27Å; M213-L250 HydrophobicContact CE-CD2 4.1Å; M213-L250 HydrophobicContact SD-CD2 4.06Å
214N85.6Confident85.2Confident69 Ų6970.9 Ų70.937%0.36939%0.394SS..  trans-134.3138.4173.4-73.5-73.5000109.1G216 T219 A222 K223 T224 K249N214-G216 PolarHBondContact O-N 2.82Å; N214-T219 WeakPolarHBondContact CB-OG1 3.48Å; N214-A222 HydrophobicContact CB-CB 3.89Å; N214-K223 PolarHBondContact N-O 3.32Å; N214-T224 WeakPolarHBondContact O-CB 3.24Å; N214-K249 CarbonylContact C-O 3.52Å
215R85.3Confident85.2Confident85 Ų8569.5 Ų69.532%0.32139%0.387SS..  trans-61.2137.8175.3-176.3179.1-71.5173-0.4109.6G217 T218 N247 S248 K249 L250R215-G217 PolarHBondContact O-N 3.14Å; R215-T218 HydrophobicContact CB-CG2 4.21Å; R215-T218 PolarHBondContact O-N 3.32Å; R215-T218 PolarHBondContact O-OG1 3.17Å; R215-N247 PolarHBondContact NH2-O 3.47Å; R215-S248 VanDerWaalsContact CZ-O 3.22Å; R215-S248 PolarHBondContact NE-O 2.89Å; R215-S248 PolarHBondContact NH2-O 2.93Å; R215-K249 WeakPolarHBondContact CA-O 3.44Å; R215-K249 PolarHBondContact N-O 2.64Å; R215-K249 VanDerWaalsContact N-O 3.14Å; R215-L250 PolarHBondContact NE-O 3.05Å; R215-L250 PolarHBondContact NH2-O 3.43Å
216G76.8Confident85.1Confident55 Ų5577.3 Ų77.357%0.56742%0.421SS*.THydrogen-bonded Turntrans-51.7130.617800000111.7N214N214-G216 PolarHBondContact O-N 2.82Å
217G71.2Confident85.3Confident84 Ų8477.5 Ų77.587%0.86642%0.423SS*.THydrogen-bonded Turntrans91.1-3.1179.800000116.1R215R215-G217 PolarHBondContact O-N 3.14Å
218T71.8Confident85.6Confident92 Ų9276.7 Ų76.756%0.56442%0.416SS*.SBendtrans-90.4-31.1174.264.40000113.3R215R215-T218 HydrophobicContact CB-CG2 4.21Å; R215-T218 PolarHBondContact O-N 3.32Å; R215-T218 PolarHBondContact O-OG1 3.17Å
219T73.8Confident85.8Confident67 Ų6776 Ų7641%0.41141%0.414SS..SBendtrans-137.1153178.758.50000111.5N214 N221 A222N214-T219 WeakPolarHBondContact CB-OG1 3.48Å; T219-N221 PolarHBondContact O-N 3.48Å; T219-A222 WeakPolarHBondContact O-CB 3.22Å; T219-A222 PolarHBondContact O-N 3.29Å; T219-A222 WeakPolarHBondContact OG1-CB 3.34Å
220I70Confident86Confident160 Ų16067.2 Ų67.282%0.82138%0.381SS*.THydrogen-bonded Turntrans-65.4128.6173.3-57.5174.1000107.6A222I220-A222 VanDerWaalsContact C-N 3.31Å; I220-A222 PolarHBondContact O-N 2.9Å
221N69.3Low86.2Confident155 Ų15563 Ų6383%0.82936%0.358SS*.THydrogen-bonded Turntrans60.631.6-174.2-55.8-38.5000114.9T219 K223T219-N221 PolarHBondContact O-N 3.48Å; N221-K223 PolarHBondContact O-N 3.17Å; N221-K223 VanDerWaalsContact O-N 3.11Å
222A74.9Confident86.5Confident30 Ų3063 Ų6325%0.24836%0.358CS..  trans-49.4119173.700000111.4N214 T219 I220N214-A222 HydrophobicContact CB-CB 3.89Å; T219-A222 WeakPolarHBondContact O-CB 3.22Å; T219-A222 PolarHBondContact O-N 3.29Å; T219-A222 WeakPolarHBondContact OG1-CB 3.34Å; I220-A222 VanDerWaalsContact C-N 3.31Å; I220-A222 PolarHBondContact O-N 2.9Å
223K85.1Confident87Confident107 Ų10755.7 Ų55.747%0.46532%0.324SS..  trans-95.7131.9173.7-167.7178.4179.9179.40108.5L125 M213 N214 N221L125-K223 HydrophobicContact CD2-CD 4.42Å; L125-K223 HydrophobicContact CD2-CG 4.16Å; L125-K223 WeakPolarHBondContact O-CE 3.49Å; L125-K223 PolarHBondContact O-NZ 2.69Å; M213-K223 CarbonylContact C-O 3.57Å; M213-K223 WeakPolarHBondContact CA-O 3.44Å; N214-K223 PolarHBondContact N-O 3.32Å; N221-K223 PolarHBondContact O-N 3.17Å; N221-K223 VanDerWaalsContact O-N 3.11Å
224T92.4Very high87.3Confident27 Ų2755.6 Ų55.617%0.16632%0.323CS..  trans-144.4174173.3-163.50000109.7N214 K226 K249N214-T224 WeakPolarHBondContact O-CB 3.24Å; T224-K226 PolarHBondContact O-N 3.05Å; T224-K249 PolarHBondContact OG1-O 2.64Å
225L95.9Very high87.6Confident2 Ų254.4 Ų54.41%0.0132%0.317CS..  trans-67.1124.8177.2-64175.1000110.2A121 A124 L125 L134 L136 M213 V229 L250 N254A121-L225 HydrophobicContact CB-CD1 4.37Å; A124-L225 HydrophobicContact CB-CD2 3.72Å; L125-L225 HydrophobicContact CD2-CD2 3.91Å; L125-L225 HydrophobicContact CD2-CG 4.49Å; L125-L225 HydrophobicContact CG-CD2 3.87Å; L134-L225 HydrophobicContact CD1-CD1 4.02Å; L134-L225 HydrophobicContact CD1-CD2 4.24Å; L136-L225 HydrophobicContact CD1-CD1 4.23Å; M213-L225 HydrophobicContact SD-CD1 4.23Å; M213-L225 HydrophobicContact SD-CD2 4.32Å; M213-L225 HydrophobicContact SD-CG 3.83Å; L225-V229 HydrophobicContact CB-CG2 3.97Å; L225-V229 HydrophobicContact CD1-CG2 3.66Å; L225-V229 HydrophobicContact CG-CG2 4.46Å; L225-L250 HydrophobicContact CB-CD2 4.05Å; L225-L250 HydrophobicContact CD1-CD1 4.46Å; L225-L250 HydrophobicContact CD1-CD2 3.73Å; L225-L250 HydrophobicContact CG-CD2 3.89Å; L225-N254 PolarHBondContact O-ND2 2.96Å
226K94.3Very high87.7Confident167 Ų16755.3 Ų55.373%0.72633%0.329SS*.  trans-83.5-30.2-179-65-175.5179.7179.20112.7P128 T224 N254P128-K226 HydrophobicContact CB-CD 4.26Å; T224-K226 PolarHBondContact O-N 3.05Å; K226-N254 PolarHBondContact O-ND2 3.43Å
227C97.4Very high88.6Confident12 Ų1253 Ų538%0.08130%0.304CS..SBendtrans-76.9158.8178.465.40000111.4V131 N254V131-C227 WeakPolarHBondContact O-CB 3.34Å; C227-N254 PolarHBondContact O-ND2 2.78Å
228P98.4Very high89.7Confident49 Ų4952.1 Ų52.132%0.31828%0.283SS..  trans-52.4139.8165.1-27.635000113E132 G133 L134 N254 F282 M286E132-P228 WeakPolarHBondContact O-CD 3.43Å; G133-P228 VanDerWaalsContact CA-O 3.31Å; G133-P228 WeakPolarHBondContact CA-O 3.36Å; L134-P228 PolarHBondContact N-O 2.98Å; P228-N254 CarbonylContact C-O 3.59Å; P228-N254 VanDerWaalsContact CA-O 3.29Å; P228-N254 WeakPolarHBondContact CA-O 3.42Å; P228-F282 HydrophobicContact CB-CE2 3.88Å; P228-F282 HydrophobicContact CB-CZ 4.04Å; P228-M286 HydrophobicContact CG-CG 4.43Å
229V98.8Very high90.8Very high0 Ų048.6 Ų48.60%026%0.263CS..EExtended strand (participates in β ladder)trans-129.1133.6179.6-1760000110.4L134 L136 L225 L231 L250 N254 T255 T256L134-V229 HydrophobicContact CB-CG2 4.5Å; L134-V229 CarbonylContact O-C 3.5Å; L134-V229 WeakPolarHBondContact O-CA 3.48Å; L136-V229 HydrophobicContact CD1-CG1 3.78Å; L136-V229 HydrophobicContact CG-CG1 4.2Å; L225-V229 HydrophobicContact CB-CG2 3.97Å; L225-V229 HydrophobicContact CD1-CG2 3.66Å; L225-V229 HydrophobicContact CG-CG2 4.46Å; V229-L231 HydrophobicContact CG1-CD2 3.82Å; V229-L231 HydrophobicContact CG1-CG 4.19Å; V229-L250 HydrophobicContact CB-CD1 4.21Å; V229-L250 HydrophobicContact CG1-CD1 3.87Å; V229-L250 HydrophobicContact CG2-CD1 4.37Å; V229-N254 PolarHBondContact N-O 2.8Å; V229-T255 HydrophobicContact CB-CG2 4.33Å; V229-T255 CarbonylContact O-C 3.52Å; V229-T255 VanDerWaalsContact O-CA 3.31Å; V229-T255 WeakPolarHBondContact O-CA 3.45Å; V229-T256 PolarHBondContact O-N 3.25Å
230M98.8Very high91.9Very high6 Ų648.1 Ų48.13%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-111.7107.6165.9-174.817072.500109L134 V135 L136 V232 T256 L275 A278 F279 F282L134-M230 PolarHBondContact O-N 2.82Å; V135-M230 CarbonylContact C-O 3.32Å; V135-M230 WeakPolarHBondContact CA-O 3.03Å; V135-M230 HydrophobicContact CB-CE 4.29Å; V135-M230 HydrophobicContact CG1-CB 4.47Å; V135-M230 HydrophobicContact CG1-CE 3.41Å; V135-M230 VanDerWaalsContact CG1-CE 3.41Å; V135-M230 HydrophobicContact CG2-CB 4.44Å; V135-M230 HydrophobicContact CG2-CE 3.89Å; L136-M230 PolarHBondContact N-O 2.8Å; M230-V232 HydrophobicContact CE-CG2 4.08Å; M230-V232 HydrophobicContact CG-CG2 3.96Å; M230-T256 CarbonylContact C-O 3.55Å; M230-T256 WeakPolarHBondContact CA-O 3.35Å; M230-L275 HydrophobicContact CE-CD1 4.49Å; M230-A278 HydrophobicContact CE-CB 4.32Å; M230-A278 HydrophobicContact SD-CB 4.06Å; M230-F279 HydrophobicContact CE-CB 4.48Å; M230-F282 HydrophobicContact CB-CD2 3.83Å; M230-F282 HydrophobicContact CB-CE2 4Å; M230-F282 HydrophobicContact CB-CG 4.32Å; M230-F282 HydrophobicContact CE-CB 4.47Å; M230-F282 HydrophobicContact SD-CB 4.17Å
231L98.9Very high93Very high0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-82.4131.4171.3-62.1-177.9000109.1L136 I139 V229 V243 C246 N247 L250 T255 T256 F257 L258L136-L231 HydrophobicContact CB-CD2 3.93Å; L136-L231 HydrophobicContact CD1-CD2 4.08Å; I139-L231 HydrophobicContact CG2-CD2 3.9Å; V229-L231 HydrophobicContact CG1-CD2 3.82Å; V229-L231 HydrophobicContact CG1-CG 4.19Å; L231-V243 HydrophobicContact CB-CG1 3.95Å; L231-V243 HydrophobicContact CD1-CG1 4.44Å; L231-C246 HydrophobicContact CD1-CB 4.38Å; L231-N247 HydrophobicContact CD1-CB 3.52Å; L231-L250 HydrophobicContact CD1-CD1 4.06Å; L231-L250 HydrophobicContact CD2-CD1 4.07Å; L231-L250 HydrophobicContact CG-CD1 4.23Å; L231-T255 HydrophobicContact CD1-CG2 4.1Å; L231-T255 HydrophobicContact CG-CG2 4.11Å; L231-T256 PolarHBondContact N-O 3.41Å; L231-F257 HydrophobicContact CB-CD2 4.11Å; L231-F257 HydrophobicContact CD1-CD2 4.16Å; L231-L258 PolarHBondContact O-N 3.2Å
232V98.8Very high94.3Very high0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-130.5133-179.5-1750000109.7V135 L136 L137 N138 M230 L258 M260 P267 L275V135-V232 HydrophobicContact CG1-CG2 4.1Å; L136-V232 PolarHBondContact O-N 3.28Å; L137-V232 WeakPolarHBondContact CA-O 3.45Å; L137-V232 HydrophobicContact CG-CB 4.06Å; L137-V232 HydrophobicContact CG-CG1 4.42Å; N138-V232 PolarHBondContact N-O 3Å; M230-V232 HydrophobicContact CE-CG2 4.08Å; M230-V232 HydrophobicContact CG-CG2 3.96Å; V232-L258 WeakPolarHBondContact CA-O 3.18Å; V232-L258 HydrophobicContact CG1-CD2 4.44Å; V232-L258 HydrophobicContact CG2-CB 4.41Å; V232-L258 HydrophobicContact CG2-CD2 4.38Å; V232-M260 HydrophobicContact CG1-CG 4.14Å; V232-M260 HydrophobicContact CG1-SD 3.67Å; V232-P267 HydrophobicContact CG1-CG 4.22Å; V232-L275 HydrophobicContact CG1-CD1 4.11Å; V232-L275 HydrophobicContact CG2-CD1 4.13Å
233V98.6Very high95.4Very high0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-145.8145.9172.567.10000110A237 E240 V243 F257 L258 K259 M260V233-A237 HydrophobicContact CG2-CB 3.72Å; V233-E240 HydrophobicContact CG2-CB 4.34Å; V233-V243 HydrophobicContact CB-CB 4.11Å; V233-V243 HydrophobicContact CB-CG1 4.12Å; V233-V243 HydrophobicContact CB-CG2 3.99Å; V233-V243 HydrophobicContact CG1-CB 4.37Å; V233-V243 HydrophobicContact CG1-CG1 4.25Å; V233-V243 HydrophobicContact CG2-CB 4.46Å; V233-V243 HydrophobicContact CG2-CG2 4.12Å; V233-F257 HydrophobicContact CG1-CZ 4.09Å; V233-L258 PolarHBondContact N-O 2.8Å; V233-K259 HydrophobicContact CG1-CB 4.48Å; V233-K259 HydrophobicContact CG1-CG 4.48Å; V233-K259 CarbonylContact O-C 3.58Å; V233-K259 WeakPolarHBondContact O-CA 3.29Å; V233-M260 PolarHBondContact O-N 3.01Å
234G97.1Very high96Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-83155172.600000113N236 A237 S263 G264G234-N236 PolarHBondContact O-N 3.3Å; G234-A237 VanDerWaalsContact O-CB 3.27Å; G234-A237 WeakPolarHBondContact O-CB 3.39Å; G234-A237 PolarHBondContact O-N 2.92Å; G234-S263 WeakPolarHBondContact CA-OG 3.3Å; G234-G264 WeakPolarHBondContact CA-O 3.09Å
235D91Very high96.1Very high45 Ų4540.7 Ų40.724%0.24121%0.214CC..THydrogen-bonded Turntrans-57132.7166.7-81.616.1000109.9A237 K259 M260 A261 G264D235-A237 PolarHBondContact O-N 3.11Å; D235-K259 WeakPolarHBondContact OD1-CE 3.28Å; D235-K259 WeakPolarHBondContact OD1-CG 3.4Å; D235-M260 PolarHBondContact N-O 3.36Å; D235-A261 WeakPolarHBondContact OD2-CA 3.38Å; D235-G264 WeakPolarHBondContact O-CA 3.44Å; D235-G264 PolarHBondContact O-N 2.75Å
236N89.3Confident96.2Very high104 Ų10440.6 Ų40.656%0.55621%0.214SC*.THydrogen-bonded Turntrans62.915.1-179.1-48.5-33000114.5S171 G234S171-N236 WeakPolarHBondContact CB-O 3.5Å; G234-N236 PolarHBondContact O-N 3.3Å
237A95.4Very high96.3Very high6 Ų634.9 Ų34.95%0.0519%0.191CC..  trans-65.314217500000110.9V233 G234 D235 A239 E240V233-A237 HydrophobicContact CG2-CB 3.72Å; G234-A237 VanDerWaalsContact O-CB 3.27Å; G234-A237 WeakPolarHBondContact O-CB 3.39Å; G234-A237 PolarHBondContact O-N 2.92Å; D235-A237 PolarHBondContact O-N 3.11Å; A237-A239 PolarHBondContact O-N 2.95Å; A237-E240 WeakPolarHBondContact O-CB 3.4Å; A237-E240 PolarHBondContact O-N 3Å; A237-E240 VanDerWaalsContact O-N 3.1Å
238P94.4Very high96.2Very high66 Ų6636.7 Ų36.743%0.42920%0.204SC..THydrogen-bonded Turntrans-57.4-24.3177.6-25.234.3000114.2P167 F170P167-P238 WeakPolarHBondContact O-CG 3.29Å; F170-P238 WeakPolarHBondContact O-CG 3.39Å
239A95Very high96Very high17 Ų1735.8 Ų35.814%0.1420%0.195CC..THydrogen-bonded Turntrans-90.43.7-177.300000114.4N138 A237 E241 G242 V243N138-A239 HydrophobicContact CB-CB 3.64Å; A237-A239 PolarHBondContact O-N 2.95Å; A239-E241 VanDerWaalsContact C-N 3.35Å; A239-E241 PolarHBondContact O-N 3.04Å; A239-G242 PolarHBondContact O-N 3.12Å; A239-V243 WeakPolarHBondContact O-CG2 3.38Å; A239-V243 PolarHBondContact O-N 3.34Å
240E95Very high95.8Very high57 Ų5735.8 Ų35.827%0.26620%0.195SC..Hα-helixtrans-51.6-50.1-173.7-176.617316700112.9V233 A237 G242 V243 V244 K259V233-E240 HydrophobicContact CG2-CB 4.34Å; A237-E240 WeakPolarHBondContact O-CB 3.4Å; A237-E240 PolarHBondContact O-N 3Å; A237-E240 VanDerWaalsContact O-N 3.1Å; E240-G242 VanDerWaalsContact C-N 3.32Å; E240-G242 PolarHBondContact O-N 3.49Å; E240-V243 PolarHBondContact O-N 3.24Å; E240-V244 WeakPolarHBondContact O-CG2 3.21Å; E240-V244 PolarHBondContact O-N 2.89Å; E240-K259 IonicContact OE1-NZ 3.71Å; E240-K259 PolarHBondContact OE1-NZ 3.41Å; E240-K259 IonicContact OE2-NZ 3.41Å; E240-K259 PolarHBondContact OE2-NZ 3.35Å; E240-K259 VanDerWaalsContact OE2-NZ 3.14Å
241E94.8Very high95.6Very high172 Ų17238 Ų3880%0.80421%0.207SC*.Hα-helixtrans-60.9-41.7179.4-64.2-174.5172.800112.1A239 V243 V244 E245A239-E241 VanDerWaalsContact C-N 3.35Å; A239-E241 PolarHBondContact O-N 3.04Å; E241-V243 PolarHBondContact O-N 3.23Å; E241-V244 PolarHBondContact O-N 3.45Å; E241-E245 WeakPolarHBondContact O-CB 3.29Å; E241-E245 PolarHBondContact O-N 3.31Å
242G96.3Very high95.3Very high7 Ų741.9 Ų41.97%0.07223%0.232CC..Hα-helixtrans-62-41.3177.300000112.6I139 P141 A239 E240 E245 C246I139-G242 CarbonylContact O-C 3.54Å; P141-G242 WeakPolarHBondContact CD-O 3.32Å; A239-G242 PolarHBondContact O-N 3.12Å; E240-G242 VanDerWaalsContact C-N 3.32Å; E240-G242 PolarHBondContact O-N 3.49Å; G242-E245 PolarHBondContact O-N 3.37Å; G242-C246 WeakPolarHBondContact O-CB 3.03Å; G242-C246 PolarHBondContact O-N 3.13Å
243V98Very high95Very high0 Ų047.7 Ų47.70%027%0.268CS..Hα-helixtrans-71.7-38.5179.9-176.70000111.2I139 L231 V233 A239 E240 E241 E245 C246 N247 F257I139-V243 HydrophobicContact CG2-CG2 4.22Å; I139-V243 WeakPolarHBondContact O-CA 3.41Å; I139-V243 VanDerWaalsContact O-CG2 3.26Å; I139-V243 WeakPolarHBondContact O-CG2 3.35Å; I139-V243 PolarHBondContact O-N 2.74Å; I139-V243 VanDerWaalsContact O-N 3.14Å; L231-V243 HydrophobicContact CB-CG1 3.95Å; L231-V243 HydrophobicContact CD1-CG1 4.44Å; V233-V243 HydrophobicContact CB-CB 4.11Å; V233-V243 HydrophobicContact CB-CG1 4.12Å; V233-V243 HydrophobicContact CB-CG2 3.99Å; V233-V243 HydrophobicContact CG1-CB 4.37Å; V233-V243 HydrophobicContact CG1-CG1 4.25Å; V233-V243 HydrophobicContact CG2-CB 4.46Å; V233-V243 HydrophobicContact CG2-CG2 4.12Å; A239-V243 WeakPolarHBondContact O-CG2 3.38Å; A239-V243 PolarHBondContact O-N 3.34Å; E240-V243 PolarHBondContact O-N 3.24Å; E241-V243 PolarHBondContact O-N 3.23Å; V243-E245 VanDerWaalsContact C-N 3.35Å; V243-C246 WeakPolarHBondContact O-CB 3.32Å; V243-C246 PolarHBondContact O-N 3.08Å; V243-N247 PolarHBondContact O-N 2.93Å; V243-F257 HydrophobicContact CG1-CD2 4.37Å; V243-F257 HydrophobicContact CG1-CE2 3.78Å
244V96.8Very high94.8Very high72 Ų7249.4 Ų49.444%0.43628%0.277SS..Hα-helixtrans-62.6-43.5173.6172.10000110.8E240 E241 N247 S248 F257E240-V244 WeakPolarHBondContact O-CG2 3.21Å; E240-V244 PolarHBondContact O-N 2.89Å; E241-V244 PolarHBondContact O-N 3.45Å; V244-N247 WeakPolarHBondContact O-CB 3.39Å; V244-N247 PolarHBondContact O-N 3.45Å; V244-S248 PolarHBondContact O-N 2.86Å; V244-S248 VanDerWaalsContact O-N 3.13Å; V244-F257 HydrophobicContact CG2-CE2 4.23Å; V244-F257 HydrophobicContact CG2-CZ 3.99Å
245E95.7Very high94.8Very high72 Ų7250.1 Ų50.134%0.33628%0.282SS..Hα-helixtrans-67.8-35.7176.5177.658.4-179.800112.2P141 E241 G242 V243 N247 S248 K249P141-E245 HydrophobicContact CG-CG 4.32Å; E241-E245 WeakPolarHBondContact O-CB 3.29Å; E241-E245 PolarHBondContact O-N 3.31Å; G242-E245 PolarHBondContact O-N 3.37Å; V243-E245 VanDerWaalsContact C-N 3.35Å; E245-N247 VanDerWaalsContact C-N 3.33Å; E245-N247 PolarHBondContact O-N 3.33Å; E245-S248 WeakPolarHBondContact O-CB 2.97Å; E245-S248 PolarHBondContact O-N 2.96Å; E245-S248 PolarHBondContact O-OG 3.16Å; E245-S248 PolarHBondContact OE2-OG 3.44Å; E245-K249 PolarHBondContact O-N 3.41Å; E245-K249 WeakPolarHBondContact OE1-CE 3.27Å; E245-K249 IonicContact OE1-NZ 2.72Å; E245-K249 PolarHBondContact OE1-NZ 2.76Å
246C97.1Very high95.1Very high0 Ų050.6 Ų50.60%029%0.286CS..Hα-helixtrans-59.3-46.5171.5-165.50000111.1I139 P141 L231 G242 V243 S248 K249 L250I139-C246 HydrophobicContact CG2-CB 3.88Å; P141-C246 HydrophobicContact CG-CB 3.98Å; L231-C246 HydrophobicContact CD1-CB 4.38Å; G242-C246 WeakPolarHBondContact O-CB 3.03Å; G242-C246 PolarHBondContact O-N 3.13Å; V243-C246 WeakPolarHBondContact O-CB 3.32Å; V243-C246 PolarHBondContact O-N 3.08Å; C246-S248 PolarHBondContact O-N 2.92Å; C246-K249 PolarHBondContact O-N 2.9Å; C246-L250 WeakPolarHBondContact O-CG 3.4Å; C246-L250 PolarHBondContact O-N 3.16Å
247N97.3Very high95.6Very high48 Ų4849 Ų4926%0.25727%0.274SS..Hα-helixtrans-58.6-34.8177.7-168.640000112.5R215 L231 V243 V244 E245 K249 L250 F257R215-N247 PolarHBondContact NH2-O 3.47Å; L231-N247 HydrophobicContact CD1-CB 3.52Å; V243-N247 PolarHBondContact O-N 2.93Å; V244-N247 WeakPolarHBondContact O-CB 3.39Å; V244-N247 PolarHBondContact O-N 3.45Å; E245-N247 VanDerWaalsContact C-N 3.33Å; E245-N247 PolarHBondContact O-N 3.33Å; N247-K249 PolarHBondContact O-N 3.34Å; N247-L250 PolarHBondContact O-N 2.78Å; N247-F257 HydrophobicContact CB-CD2 3.9Å; N247-F257 HydrophobicContact CB-CE2 4.32Å
248S94.8Very high95.7Very high50 Ų5050.5 Ų50.535%0.3528%0.281SS..Hα-helixtrans-62.9-30.2177.592.70000112.3R215 V244 E245 C246R215-S248 VanDerWaalsContact CZ-O 3.22Å; R215-S248 PolarHBondContact NE-O 2.89Å; R215-S248 PolarHBondContact NH2-O 2.93Å; V244-S248 PolarHBondContact O-N 2.86Å; V244-S248 VanDerWaalsContact O-N 3.13Å; E245-S248 WeakPolarHBondContact O-CB 2.97Å; E245-S248 PolarHBondContact O-N 2.96Å; E245-S248 PolarHBondContact O-OG 3.16Å; E245-S248 PolarHBondContact OE2-OG 3.44Å; C246-S248 PolarHBondContact O-N 2.92Å
249K94.5Very high95.8Very high29 Ų2951.4 Ų51.413%0.12628%0.278CS..Hα-helixtrans-91.1-12-178.3-62.5176.4-176.7176.90114.7N142 M213 N214 R215 T224 E245 C246 N247N142-K249 PolarHBondContact OD1-NZ 2.95Å; M213-K249 HydrophobicContact CB-CB 4.27Å; N214-K249 CarbonylContact C-O 3.52Å; R215-K249 WeakPolarHBondContact CA-O 3.44Å; R215-K249 PolarHBondContact N-O 2.64Å; R215-K249 VanDerWaalsContact N-O 3.14Å; T224-K249 PolarHBondContact OG1-O 2.64Å; E245-K249 PolarHBondContact O-N 3.41Å; E245-K249 WeakPolarHBondContact OE1-CE 3.27Å; E245-K249 IonicContact OE1-NZ 2.72Å; E245-K249 PolarHBondContact OE1-NZ 2.76Å; C246-K249 PolarHBondContact O-N 2.9Å; N247-K249 PolarHBondContact O-N 3.34Å
250L95.1Very high95.9Very high0 Ų051 Ų510%027%0.274CS..SBendtrans-94.7160.7-179-62.9-178.9000113.1M213 R215 L225 V229 L231 C246 N247 T255M213-L250 HydrophobicContact CE-CD2 4.1Å; M213-L250 HydrophobicContact SD-CD2 4.06Å; R215-L250 PolarHBondContact NE-O 3.05Å; R215-L250 PolarHBondContact NH2-O 3.43Å; L225-L250 HydrophobicContact CB-CD2 4.05Å; L225-L250 HydrophobicContact CD1-CD1 4.46Å; L225-L250 HydrophobicContact CD1-CD2 3.73Å; L225-L250 HydrophobicContact CG-CD2 3.89Å; V229-L250 HydrophobicContact CB-CD1 4.21Å; V229-L250 HydrophobicContact CG1-CD1 3.87Å; V229-L250 HydrophobicContact CG2-CD1 4.37Å; L231-L250 HydrophobicContact CD1-CD1 4.06Å; L231-L250 HydrophobicContact CD2-CD1 4.07Å; L231-L250 HydrophobicContact CG-CD1 4.23Å; C246-L250 WeakPolarHBondContact O-CG 3.4Å; C246-L250 PolarHBondContact O-N 3.16Å; N247-L250 PolarHBondContact O-N 2.78Å; L250-T255 HydrophobicContact CB-CG2 4.19Å; L250-T255 WeakPolarHBondContact CB-OG1 3.41Å; L250-T255 HydrophobicContact CD1-CG2 3.86Å
251D92.9Very high95.9Very high53 Ų5350.4 Ų50.428%0.28328%0.279SS..  trans-74.4120.5173.9-178.2-19.8000109.9T253 N254 T255D251-T253 VanDerWaalsContact CG-OG1 3.23Å; D251-T253 PolarHBondContact O-N 3.06Å; D251-T253 WeakPolarHBondContact OD1-CB 3.11Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.46Å; D251-T253 PolarHBondContact OD1-N 3.25Å; D251-T253 PolarHBondContact OD1-OG1 3.16Å; D251-T253 PolarHBondContact OD2-OG1 3.39Å; D251-N254 WeakPolarHBondContact CB-OD1 3.46Å; D251-N254 PolarHBondContact O-N 2.71Å; D251-N254 PolarHBondContact O-OD1 3.28Å; D251-T255 WeakPolarHBondContact O-CB 3.33Å; D251-T255 PolarHBondContact O-N 2.89Å; D251-T255 VanDerWaalsContact O-N 3.13Å; D251-T255 PolarHBondContact O-OG1 3.32Å
252P93.9Very high95.7Very high82 Ų8249 Ų4953%0.53228%0.277SS..THydrogen-bonded Turntrans-68.6-13.9-177.829.2-36.6000113.7
253T93.1Very high95.5Very high121 Ų12148.8 Ų48.874%0.74227%0.274SS*.THydrogen-bonded Turntrans-79.4-24.2179.5670000113D251D251-T253 VanDerWaalsContact CG-OG1 3.23Å; D251-T253 PolarHBondContact O-N 3.06Å; D251-T253 WeakPolarHBondContact OD1-CB 3.11Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.46Å; D251-T253 PolarHBondContact OD1-N 3.25Å; D251-T253 PolarHBondContact OD1-OG1 3.16Å; D251-T253 PolarHBondContact OD2-OG1 3.39Å
254N93.3Very high95.3Very high36 Ų3649.3 Ų49.319%0.19328%0.279CS..THydrogen-bonded Turntrans-115.81.4178.572.4-3.9000113.3L225 K226 C227 P228 V229 D251L225-N254 PolarHBondContact O-ND2 2.96Å; K226-N254 PolarHBondContact O-ND2 3.43Å; C227-N254 PolarHBondContact O-ND2 2.78Å; P228-N254 CarbonylContact C-O 3.59Å; P228-N254 VanDerWaalsContact CA-O 3.29Å; P228-N254 WeakPolarHBondContact CA-O 3.42Å; V229-N254 PolarHBondContact N-O 2.8Å; D251-N254 WeakPolarHBondContact CB-OD1 3.46Å; D251-N254 PolarHBondContact O-N 2.71Å; D251-N254 PolarHBondContact O-OD1 3.28Å
255T97.6Very high95.2Very high16 Ų1645.9 Ų45.910%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-112132.9-177.8-570000112V229 L231 L250 D251V229-T255 HydrophobicContact CB-CG2 4.33Å; V229-T255 CarbonylContact O-C 3.52Å; V229-T255 VanDerWaalsContact O-CA 3.31Å; V229-T255 WeakPolarHBondContact O-CA 3.45Å; L231-T255 HydrophobicContact CD1-CG2 4.1Å; L231-T255 HydrophobicContact CG-CG2 4.11Å; L250-T255 HydrophobicContact CB-CG2 4.19Å; L250-T255 WeakPolarHBondContact CB-OG1 3.41Å; L250-T255 HydrophobicContact CD1-CG2 3.86Å; D251-T255 WeakPolarHBondContact O-CB 3.33Å; D251-T255 PolarHBondContact O-N 2.89Å; D251-T255 VanDerWaalsContact O-N 3.13Å; D251-T255 PolarHBondContact O-OG1 3.32Å
256T97.9Very high95.2Very high54 Ų5442.4 Ų42.433%0.33124%0.242SC..EExtended strand (participates in β ladder)trans-112.1133.9170.2-600000109.3V229 M230 L231 M307V229-T256 PolarHBondContact O-N 3.25Å; M230-T256 CarbonylContact C-O 3.55Å; M230-T256 WeakPolarHBondContact CA-O 3.35Å; L231-T256 PolarHBondContact N-O 3.41Å; T256-M307 HydrophobicContact CG2-CE 3.56Å
257F97.9Very high95.2Very high71 Ų7142.4 Ų42.431%0.31124%0.242SC..EExtended strand (participates in β ladder)trans-110.7122.2176.8-176.5-84.9000109.8L231 V233 V243 V244 N247 K259L231-F257 HydrophobicContact CB-CD2 4.11Å; L231-F257 HydrophobicContact CD1-CD2 4.16Å; V233-F257 HydrophobicContact CG1-CZ 4.09Å; V243-F257 HydrophobicContact CG1-CD2 4.37Å; V243-F257 HydrophobicContact CG1-CE2 3.78Å; V244-F257 HydrophobicContact CG2-CE2 4.23Å; V244-F257 HydrophobicContact CG2-CZ 3.99Å; N247-F257 HydrophobicContact CB-CD2 3.9Å; N247-F257 HydrophobicContact CB-CE2 4.32Å; F257-K259 HydrophobicContact CE1-CB 3.98Å
258L98.2Very high95.3Very high37 Ų3740.2 Ų40.219%0.19423%0.23CC..EExtended strand (participates in β ladder)trans-120.8109.6-179.3177.963.6000110.1L231 V232 V233 M260 A278L231-L258 PolarHBondContact O-N 3.2Å; V232-L258 WeakPolarHBondContact CA-O 3.18Å; V232-L258 HydrophobicContact CG1-CD2 4.44Å; V232-L258 HydrophobicContact CG2-CB 4.41Å; V232-L258 HydrophobicContact CG2-CD2 4.38Å; V233-L258 PolarHBondContact N-O 2.8Å; L258-M260 HydrophobicContact CD2-CG 4.12Å; L258-M260 HydrophobicContact CD2-SD 4.31Å; L258-M260 HydrophobicContact CG-CG 3.95Å; L258-A278 HydrophobicContact CD2-CB 3.55Å
259K97.6Very high95.4Very high86 Ų8638.9 Ų38.937%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-94.7120.4168.6-178163.5-178.9171.10109.1V233 D235 E240 F257V233-K259 HydrophobicContact CG1-CB 4.48Å; V233-K259 HydrophobicContact CG1-CG 4.48Å; V233-K259 CarbonylContact O-C 3.58Å; V233-K259 WeakPolarHBondContact O-CA 3.29Å; D235-K259 WeakPolarHBondContact OD1-CE 3.28Å; D235-K259 WeakPolarHBondContact OD1-CG 3.4Å; E240-K259 IonicContact OE1-NZ 3.71Å; E240-K259 PolarHBondContact OE1-NZ 3.41Å; E240-K259 IonicContact OE2-NZ 3.41Å; E240-K259 PolarHBondContact OE2-NZ 3.35Å; E240-K259 VanDerWaalsContact OE2-NZ 3.14Å; F257-K259 HydrophobicContact CE1-CB 3.98Å
260M97.1Very high95.4Very high8 Ų840 Ų404%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-97.6107.7-174.2-66.6-172.568.600110.4V232 V233 D235 L258 S263 P267 Q271 K274 L275V232-M260 HydrophobicContact CG1-CG 4.14Å; V232-M260 HydrophobicContact CG1-SD 3.67Å; V233-M260 PolarHBondContact O-N 3.01Å; D235-M260 PolarHBondContact N-O 3.36Å; L258-M260 HydrophobicContact CD2-CG 4.12Å; L258-M260 HydrophobicContact CD2-SD 4.31Å; L258-M260 HydrophobicContact CG-CG 3.95Å; M260-S263 WeakPolarHBondContact CB-OG 3.24Å; M260-S263 PolarHBondContact O-OG 2.94Å; M260-P267 HydrophobicContact CB-CB 4.46Å; M260-P267 HydrophobicContact CE-CB 4.31Å; M260-P267 HydrophobicContact SD-CB 3.56Å; M260-P267 VanDerWaalsContact SD-CB 3.56Å; M260-P267 HydrophobicContact SD-CG 4.49Å; M260-Q271 HydrophobicContact CE-CB 3.68Å; M260-K274 HydrophobicContact CE-CB 3.71Å; M260-L275 HydrophobicContact CE-CB 4.18Å; M260-L275 HydrophobicContact SD-CB 4.35Å; M260-L275 HydrophobicContact SD-CD1 4.37Å
261A94.3Very high95.5Very high45 Ų4541.3 Ų41.337%0.37223%0.234SC..THydrogen-bonded Turntrans-59.7139.3176.500000111.5D235 S263 Q271D235-A261 WeakPolarHBondContact OD2-CA 3.38Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 3.24Å; A261-Q271 PolarHBondContact O-NE2 3.47Å; A261-Q271 PolarHBondContact O-OE1 2.73Å
262D90.6Very high95.7Very high143 Ų14340 Ų4077%0.76523%0.229SC*.THydrogen-bonded Turntrans57.829.9176.5-48.6-51000115Q271D262-Q271 PolarHBondContact O-NE2 2.82Å
263S92.1Very high95.9Very high2 Ų236.7 Ų36.71%0.01421%0.21CC..  trans-109.2-9.6-176.577.40000115.1G234 M260 A261 T270G234-S263 WeakPolarHBondContact CA-OG 3.3Å; M260-S263 WeakPolarHBondContact CB-OG 3.24Å; M260-S263 PolarHBondContact O-OG 2.94Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 3.24Å; S263-T270 WeakPolarHBondContact CA-OG1 3.47Å; S263-T270 WeakPolarHBondContact CB-OG1 3.37Å; S263-T270 PolarHBondContact O-OG1 3.18Å
264G93.5Very high96.1Very high10 Ų1036.4 Ų36.410%0.10320%0.198CC..THydrogen-bonded Turntrans57.5-146.7177.100000113.1G234 D235G234-G264 WeakPolarHBondContact CA-O 3.09Å; D235-G264 WeakPolarHBondContact O-CA 3.44Å; D235-G264 PolarHBondContact O-N 2.75Å
265G94.5Very high96.3Very high0 Ų034.8 Ų34.80%019%0.19CC..THydrogen-bonded Turntrans-72.8-29.3-172.300000115.6N138 L169 E174 P267N138-G265 PolarHBondContact ND2-O 3.45Å; L169-G265 CarbonylContact O-C 3.12Å; L169-G265 WeakPolarHBondContact O-CA 3.45Å; E174-G265 PolarHBondContact OE2-N 3.44Å; G265-P267 WeakPolarHBondContact O-CD 3.37Å
266L97.1Very high96.4Very high0 Ų034.1 Ų34.10%019%0.186CC..  trans-127.478-174-62.4175.2000112.1V113 L169 F170 Y185 Q268 L269 T270V113-L266 HydrophobicContact CG1-CD2 4.44Å; L169-L266 HydrophobicContact CB-CD1 4.32Å; L169-L266 HydrophobicContact CD2-CD2 4.24Å; F170-L266 HydrophobicContact CD1-CD1 4.46Å; F170-L266 HydrophobicContact CE1-CD1 3.71Å; F170-L266 HydrophobicContact CE1-CG 4.33Å; F170-L266 HydrophobicContact CE2-CD1 4.5Å; F170-L266 HydrophobicContact CZ-CD1 3.74Å; Y185-L266 HydrophobicContact CE1-CD1 4.49Å; L266-Q268 VanDerWaalsContact C-OE1 3.29Å; L266-Q268 PolarHBondContact O-N 2.87Å; L266-Q268 VanDerWaalsContact O-N 3.15Å; L266-L269 HydrophobicContact CB-CB 4.27Å; L266-L269 HydrophobicContact CB-CD1 3.69Å; L266-L269 HydrophobicContact CB-CG 3.89Å; L266-L269 HydrophobicContact CD1-CD1 3.44Å; L266-L269 VanDerWaalsContact CD1-CD1 3.44Å; L266-L269 HydrophobicContact CD1-CG 4.47Å; L266-L269 HydrophobicContact CG-CD1 4.18Å; L266-L269 WeakPolarHBondContact O-CB 3.43Å; L266-L269 PolarHBondContact O-N 2.9Å; L266-T270 PolarHBondContact O-N 3.44Å; L266-T270 VanDerWaalsContact O-N 3.13Å; L266-T270 PolarHBondContact O-OG1 3.43Å
267P97Very high96.3Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-59.6-29.4-173.817.3-27.7000114.6L137 V232 M260 G265 L269 Q271L137-P267 HydrophobicContact CD2-CG 4.23Å; V232-P267 HydrophobicContact CG1-CG 4.22Å; M260-P267 HydrophobicContact CB-CB 4.46Å; M260-P267 HydrophobicContact CE-CB 4.31Å; M260-P267 HydrophobicContact SD-CB 3.56Å; M260-P267 VanDerWaalsContact SD-CB 3.56Å; M260-P267 HydrophobicContact SD-CG 4.49Å; G265-P267 WeakPolarHBondContact O-CD 3.37Å; P267-L269 PolarHBondContact O-N 3.38Å; P267-Q271 CarbonylContact O-C 3.51Å; P267-Q271 WeakPolarHBondContact O-CA 3.45Å; P267-Q271 PolarHBondContact O-N 3.4Å
268Q97.9Very high96.3Very high1 Ų132.1 Ų32.11%0.00518%0.177CC..Hα-helixtrans-68.6-16.1176.178.2-747.200113.7C46 F50 L137 L266 L275C46-Q268 WeakPolarHBondContact O-CG 3.39Å; C46-Q268 PolarHBondContact O-NE2 3.45Å; F50-Q268 HydrophobicContact CB-CB 4.19Å; F50-Q268 HydrophobicContact CG-CB 4.49Å; L137-Q268 HydrophobicContact CD2-CB 3.8Å; L137-Q268 HydrophobicContact CD2-CG 4.28Å; L266-Q268 VanDerWaalsContact C-OE1 3.29Å; L266-Q268 PolarHBondContact O-N 2.87Å; L266-Q268 VanDerWaalsContact O-N 3.15Å; Q268-L275 HydrophobicContact CB-CD2 3.48Å; Q268-L275 VanDerWaalsContact CB-CD2 3.48Å
269L96.9Very high96.3Very high22 Ų2230.4 Ų30.412%0.11517%0.168CC..Hα-helixtrans-101.2-43.7177.1-50.8-178.2000111.6P49 L181 Y185 L266 P267 P272P49-L269 HydrophobicContact CB-CD2 4.02Å; P49-L269 HydrophobicContact CG-CD2 3.71Å; L181-L269 HydrophobicContact CD1-CD1 4.43Å; L181-L269 HydrophobicContact CD2-CB 4.5Å; Y185-L269 HydrophobicContact CE1-CD1 3.96Å; Y185-L269 HydrophobicContact CE2-CD1 3.98Å; Y185-L269 VanDerWaalsContact CZ-CD1 3.42Å; Y185-L269 WeakPolarHBondContact OH-CD1 3.46Å; L266-L269 HydrophobicContact CB-CB 4.27Å; L266-L269 HydrophobicContact CB-CD1 3.69Å; L266-L269 HydrophobicContact CB-CG 3.89Å; L266-L269 HydrophobicContact CD1-CD1 3.44Å; L266-L269 VanDerWaalsContact CD1-CD1 3.44Å; L266-L269 HydrophobicContact CD1-CG 4.47Å; L266-L269 HydrophobicContact CG-CD1 4.18Å; L266-L269 WeakPolarHBondContact O-CB 3.43Å; L266-L269 PolarHBondContact O-N 2.9Å; P267-L269 PolarHBondContact O-N 3.38Å; L269-P272 WeakPolarHBondContact O-CD 3.23Å
270T95.9Very high96.3Very high53 Ų5327.2 Ų27.233%0.32515%0.154SC..Hα-helixtrans-80.3-33.9-175.155.50000112.4L181 S263 L266 P272L181-T270 HydrophobicContact CD2-CG2 3.83Å; S263-T270 WeakPolarHBondContact CA-OG1 3.47Å; S263-T270 WeakPolarHBondContact CB-OG1 3.37Å; S263-T270 PolarHBondContact O-OG1 3.18Å; L266-T270 PolarHBondContact O-N 3.44Å; L266-T270 VanDerWaalsContact O-N 3.13Å; L266-T270 PolarHBondContact O-OG1 3.43Å; T270-P272 VanDerWaalsContact C-CD 3.49Å
271Q96.7Very high96.3Very high27 Ų2732.1 Ų32.113%0.12617%0.173CC..  trans-135.453-178.3-60.4-165.716.100113.3M260 A261 D262 P267 G273 K274 L275M260-Q271 HydrophobicContact CE-CB 3.68Å; A261-Q271 PolarHBondContact O-NE2 3.47Å; A261-Q271 PolarHBondContact O-OE1 2.73Å; D262-Q271 PolarHBondContact O-NE2 2.82Å; P267-Q271 CarbonylContact O-C 3.51Å; P267-Q271 WeakPolarHBondContact O-CA 3.45Å; P267-Q271 PolarHBondContact O-N 3.4Å; Q271-G273 VanDerWaalsContact C-N 3.28Å; Q271-G273 PolarHBondContact O-N 3.17Å; Q271-K274 HydrophobicContact CB-CB 4.48Å; Q271-K274 PolarHBondContact O-N 3.35Å; Q271-L275 PolarHBondContact O-N 3.02Å; Q271-L275 VanDerWaalsContact O-N 3.16Å
272P97.2Very high96.5Very high25 Ų2530.9 Ų30.916%0.16216%0.159CC..Hα-helixtrans-57.1-39.7-175.222.8-33.8000112.3F50 N53 L269 T270 K274 L275 T276F50-P272 HydrophobicContact CD2-CB 4.39Å; N53-P272 HydrophobicContact CB-CB 4.27Å; L269-P272 WeakPolarHBondContact O-CD 3.23Å; T270-P272 VanDerWaalsContact C-CD 3.49Å; P272-K274 PolarHBondContact O-N 2.82Å; P272-L275 PolarHBondContact O-N 2.89Å; P272-T276 WeakPolarHBondContact O-CB 3Å; P272-T276 PolarHBondContact O-N 3.26Å; P272-T276 PolarHBondContact O-OG1 3.21Å
273G97.3Very high96.7Very high13 Ų1324 Ų2413%0.13412%0.123CC..Hα-helixtrans-62.8-40.9-179.700000114.2Q271 T276 E277Q271-G273 VanDerWaalsContact C-N 3.28Å; Q271-G273 PolarHBondContact O-N 3.17Å; G273-T276 PolarHBondContact O-N 2.96Å; G273-E277 PolarHBondContact O-N 3.2Å
274K97.4Very high96.9Very high115 Ų11526.6 Ų26.650%0.513%0.134SC..Hα-helixtrans-69.4-39176.4-65.2-164.5-158.4156.60111.1M260 Q271 P272 T276 E277 A278M260-K274 HydrophobicContact CE-CB 3.71Å; Q271-K274 HydrophobicContact CB-CB 4.48Å; Q271-K274 PolarHBondContact O-N 3.35Å; P272-K274 PolarHBondContact O-N 2.82Å; K274-T276 VanDerWaalsContact C-N 3.32Å; K274-E277 PolarHBondContact O-N 2.92Å; K274-A278 PolarHBondContact O-N 3.16Å; K274-A278 VanDerWaalsContact O-N 3.08Å
275L98.3Very high96.9Very high3 Ų329.6 Ų29.62%0.01617%0.165CC..Hα-helixtrans-64.2-39.1174.7-178.361.2000111.5F50 L137 M230 V232 M260 Q268 Q271 P272 A278 F279F50-L275 HydrophobicContact CD2-CB 4.37Å; F50-L275 HydrophobicContact CD2-CD2 3.84Å; F50-L275 HydrophobicContact CD2-CG 4.16Å; F50-L275 HydrophobicContact CE2-CB 4.02Å; F50-L275 HydrophobicContact CE2-CD2 3.77Å; F50-L275 HydrophobicContact CE2-CG 3.65Å; F50-L275 HydrophobicContact CG-CD2 4.38Å; F50-L275 HydrophobicContact CZ-CD2 4.26Å; F50-L275 HydrophobicContact CZ-CG 4.16Å; L137-L275 HydrophobicContact CD2-CD2 3.9Å; M230-L275 HydrophobicContact CE-CD1 4.49Å; V232-L275 HydrophobicContact CG1-CD1 4.11Å; V232-L275 HydrophobicContact CG2-CD1 4.13Å; M260-L275 HydrophobicContact CE-CB 4.18Å; M260-L275 HydrophobicContact SD-CB 4.35Å; M260-L275 HydrophobicContact SD-CD1 4.37Å; Q268-L275 HydrophobicContact CB-CD2 3.48Å; Q268-L275 VanDerWaalsContact CB-CD2 3.48Å; Q271-L275 PolarHBondContact O-N 3.02Å; Q271-L275 VanDerWaalsContact O-N 3.16Å; P272-L275 PolarHBondContact O-N 2.89Å; L275-A278 PolarHBondContact O-N 3.21Å; L275-F279 WeakPolarHBondContact O-CB 3.3Å; L275-F279 PolarHBondContact O-N 3.45Å
276T98.3Very high96.9Very high2 Ų231.5 Ų31.51%0.01218%0.175CC..Hα-helixtrans-62.8-42.9176.6-64.40000111.4F50 D55 M56 I59 P272 G273 K274 F279 K280F50-T276 VanDerWaalsContact CE2-OG1 3.31Å; F50-T276 WeakPolarHBondContact CE2-OG1 3.28Å; D55-T276 HydrophobicContact CB-CG2 3.68Å; M56-T276 HydrophobicContact CB-CG2 3.85Å; M56-T276 VanDerWaalsContact N-CG2 3.35Å; M56-T276 HydrophobicContact SD-CG2 4.12Å; I59-T276 HydrophobicContact CD1-CG2 4Å; P272-T276 WeakPolarHBondContact O-CB 3Å; P272-T276 PolarHBondContact O-N 3.26Å; P272-T276 PolarHBondContact O-OG1 3.21Å; G273-T276 PolarHBondContact O-N 2.96Å; K274-T276 VanDerWaalsContact C-N 3.32Å; T276-F279 PolarHBondContact O-N 3.27Å; T276-K280 WeakPolarHBondContact O-CB 3.43Å; T276-K280 PolarHBondContact O-N 2.72Å
277E97.1Very high96.7Very high62 Ų6234.5 Ų34.529%0.2921%0.205SC..Hα-helixtrans-61.8-46.2175.9-174.2179.1176.200111.5G273 K274 F279 K280 Y281G273-E277 PolarHBondContact O-N 3.2Å; K274-E277 PolarHBondContact O-N 2.92Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 3.04Å; E277-K280 WeakPolarHBondContact O-CB 3.38Å; E277-K280 PolarHBondContact O-N 3.08Å; E277-Y281 HydrophobicContact CG-CD2 4.18Å; E277-Y281 HydrophobicContact CG-CE2 3.63Å; E277-Y281 VanDerWaalsContact O-CD2 3.22Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E277-Y281 PolarHBondContact O-N 3.26Å; E277-Y281 VanDerWaalsContact O-N 3.15Å
278A98Very high96.5Very high21 Ų2136.6 Ų36.617%0.17421%0.213CC..Hα-helixtrans-60.5-43.4174.600000112M230 L258 K274 L275 K280 Y281 F282M230-A278 HydrophobicContact CE-CB 4.32Å; M230-A278 HydrophobicContact SD-CB 4.06Å; L258-A278 HydrophobicContact CD2-CB 3.55Å; K274-A278 PolarHBondContact O-N 3.16Å; K274-A278 VanDerWaalsContact O-N 3.08Å; L275-A278 PolarHBondContact O-N 3.21Å; A278-K280 PolarHBondContact O-N 2.96Å; A278-Y281 PolarHBondContact O-N 2.72Å; A278-F282 PolarHBondContact O-N 3.16Å
279F98.4Very high95.8Very high1 Ų137.2 Ų37.20%0.00422%0.217CC..Hα-helixtrans-64.7-38.2178-176.4-123.3000112.7I33 F50 M56 I59 V109 I111 V135 M230 L275 T276 E277 Y281 F282 L283I33-F279 HydrophobicContact CD1-CE1 3.85Å; I33-F279 HydrophobicContact CD1-CZ 3.81Å; I33-F279 HydrophobicContact CG1-CZ 4.31Å; I33-F279 HydrophobicContact CG2-CZ 4.49Å; F50-F279 HydrophobicContact CZ-CB 4.37Å; F50-F279 HydrophobicContact CZ-CD1 4.29Å; F50-F279 HydrophobicContact CZ-CG 4.46Å; M56-F279 HydrophobicContact CE-CD1 3.66Å; M56-F279 HydrophobicContact CE-CE1 3.48Å; M56-F279 VanDerWaalsContact CE-CE1 3.48Å; M56-F279 HydrophobicContact SD-CD1 3.82Å; M56-F279 HydrophobicContact SD-CE1 4.25Å; I59-F279 HydrophobicContact CD1-CD1 4.13Å; I59-F279 HydrophobicContact CG2-CD1 4.44Å; I59-F279 HydrophobicContact CG2-CE1 4.08Å; V109-F279 HydrophobicContact CG1-CE2 4.15Å; V109-F279 HydrophobicContact CG1-CZ 4.46Å; I111-F279 HydrophobicContact CD1-CD2 4.46Å; I111-F279 HydrophobicContact CD1-CE1 4.19Å; I111-F279 HydrophobicContact CD1-CE2 3.93Å; I111-F279 HydrophobicContact CD1-CZ 3.78Å; I111-F279 HydrophobicContact CG1-CE2 4.35Å; I111-F279 HydrophobicContact CG1-CZ 4.5Å; V135-F279 HydrophobicContact CG2-CD2 3.72Å; V135-F279 HydrophobicContact CG2-CE2 3.83Å; M230-F279 HydrophobicContact CE-CB 4.48Å; L275-F279 WeakPolarHBondContact O-CB 3.3Å; L275-F279 PolarHBondContact O-N 3.45Å; T276-F279 PolarHBondContact O-N 3.27Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 3.04Å; F279-Y281 PolarHBondContact O-N 3.36Å; F279-F282 HydrophobicContact CD2-CD1 4.28Å; F279-F282 HydrophobicContact CE2-CD1 4.3Å; F279-F282 WeakPolarHBondContact O-CB 3.17Å; F279-F282 PolarHBondContact O-N 2.74Å; F279-L283 HydrophobicContact CD1-CD1 4.02Å; F279-L283 HydrophobicContact CD2-CG 4.38Å; F279-L283 HydrophobicContact CE1-CD1 3.51Å; F279-L283 HydrophobicContact CE1-CG 4.17Å; F279-L283 HydrophobicContact CE2-CD1 4.22Å; F279-L283 HydrophobicContact CE2-CD2 4.15Å; F279-L283 HydrophobicContact CE2-CG 3.97Å; F279-L283 HydrophobicContact CZ-CD1 3.64Å; F279-L283 HydrophobicContact CZ-CD2 3.99Å; F279-L283 HydrophobicContact CZ-CG 3.85Å; F279-L283 WeakPolarHBondContact O-CG 3.48Å; F279-L283 PolarHBondContact O-N 3.27Å
280K96.9Very high94.6Very high18 Ų1839.7 Ų39.78%0.07824%0.24CC..Hα-helixtrans-57-49.1172.5-176.2-175.272.5-156.70110.9I59 T276 E277 A278 F282 L283 Q284 I289 D294I59-K280 HydrophobicContact CD1-CB 3.91Å; I59-K280 HydrophobicContact CD1-CG 4.49Å; T276-K280 WeakPolarHBondContact O-CB 3.43Å; T276-K280 PolarHBondContact O-N 2.72Å; E277-K280 WeakPolarHBondContact O-CB 3.38Å; E277-K280 PolarHBondContact O-N 3.08Å; A278-K280 PolarHBondContact O-N 2.96Å; K280-F282 VanDerWaalsContact C-N 3.35Å; K280-F282 PolarHBondContact O-N 2.99Å; K280-L283 PolarHBondContact O-N 3.5Å; K280-Q284 VanDerWaalsContact O-CG 3.31Å; K280-Q284 WeakPolarHBondContact O-CG 3.47Å; K280-Q284 PolarHBondContact O-N 2.84Å; K280-I289 HydrophobicContact CG-CD1 4.2Å; K280-D294 IonicContact NZ-OD1 3.59Å; K280-D294 PolarHBondContact NZ-OD1 3.46Å; K280-D294 IonicContact NZ-OD2 3.47Å; K280-D294 PolarHBondContact NZ-OD2 3.45Å
281Y96.7Very high93Very high111 Ų11144.4 Ų44.444%0.43526%0.264SS..Hα-helixtrans-65.8-36.8178.4-68.6-50.7000112.7E277 A278 F279 Q284 G285E277-Y281 HydrophobicContact CG-CD2 4.18Å; E277-Y281 HydrophobicContact CG-CE2 3.63Å; E277-Y281 VanDerWaalsContact O-CD2 3.22Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E277-Y281 PolarHBondContact O-N 3.26Å; E277-Y281 VanDerWaalsContact O-N 3.15Å; A278-Y281 PolarHBondContact O-N 2.72Å; F279-Y281 PolarHBondContact O-N 3.36Å; Y281-Q284 PolarHBondContact O-N 3.06Å; Y281-G285 PolarHBondContact O-N 2.9Å
282F97.8Very high91.4Very high19 Ų1944.6 Ų44.68%0.08327%0.266CS..Hα-helixtrans-59.4-49.9173.8-179.2-106.3000111.6V109 V135 P228 M230 A278 F279 K280 Q284 G285 M286V109-F282 HydrophobicContact CG1-CE1 4.17Å; V135-F282 HydrophobicContact CG2-CD1 3.98Å; V135-F282 HydrophobicContact CG2-CE1 3.99Å; P228-F282 HydrophobicContact CB-CE2 3.88Å; P228-F282 HydrophobicContact CB-CZ 4.04Å; M230-F282 HydrophobicContact CB-CD2 3.83Å; M230-F282 HydrophobicContact CB-CE2 4Å; M230-F282 HydrophobicContact CB-CG 4.32Å; M230-F282 HydrophobicContact CE-CB 4.47Å; M230-F282 HydrophobicContact SD-CB 4.17Å; A278-F282 PolarHBondContact O-N 3.16Å; F279-F282 HydrophobicContact CD2-CD1 4.28Å; F279-F282 HydrophobicContact CE2-CD1 4.3Å; F279-F282 WeakPolarHBondContact O-CB 3.17Å; F279-F282 PolarHBondContact O-N 2.74Å; K280-F282 VanDerWaalsContact C-N 3.35Å; K280-F282 PolarHBondContact O-N 2.99Å; F282-Q284 VanDerWaalsContact C-N 3.35Å; F282-Q284 PolarHBondContact O-N 3.41Å; F282-G285 PolarHBondContact O-N 3.5Å; F282-M286 HydrophobicContact CD1-SD 4Å; F282-M286 HydrophobicContact CE1-SD 3.52Å; F282-M286 VanDerWaalsContact CE1-SD 3.52Å; F282-M286 HydrophobicContact CZ-SD 3.84Å; F282-M286 PolarHBondContact O-N 3.2Å
283L96.6Very high89.4Confident0 Ų052.4 Ų52.40%030%0.298CS..Hα-helixtrans-62.2-39.7175.9-71.5176000112.5I59 F63 V109 F279 K280 M286 G287 Y288 I289I59-L283 HydrophobicContact CG2-CD1 3.61Å; F63-L283 HydrophobicContact CE2-CD1 3.78Å; F63-L283 HydrophobicContact CZ-CD1 3.97Å; F63-L283 HydrophobicContact CZ-CD2 4.1Å; V109-L283 HydrophobicContact CG1-CD2 4.3Å; V109-L283 HydrophobicContact CG2-CD2 4.27Å; F279-L283 HydrophobicContact CD1-CD1 4.02Å; F279-L283 HydrophobicContact CD2-CG 4.38Å; F279-L283 HydrophobicContact CE1-CD1 3.51Å; F279-L283 HydrophobicContact CE1-CG 4.17Å; F279-L283 HydrophobicContact CE2-CD1 4.22Å; F279-L283 HydrophobicContact CE2-CD2 4.15Å; F279-L283 HydrophobicContact CE2-CG 3.97Å; F279-L283 HydrophobicContact CZ-CD1 3.64Å; F279-L283 HydrophobicContact CZ-CD2 3.99Å; F279-L283 HydrophobicContact CZ-CG 3.85Å; F279-L283 WeakPolarHBondContact O-CG 3.48Å; F279-L283 PolarHBondContact O-N 3.27Å; K280-L283 PolarHBondContact O-N 3.5Å; L283-M286 WeakPolarHBondContact O-CB 3.44Å; L283-M286 PolarHBondContact O-N 3.13Å; L283-M286 VanDerWaalsContact O-N 3.15Å; L283-G287 PolarHBondContact O-N 2.77Å; L283-Y288 HydrophobicContact CD2-CD2 4.46Å; L283-Y288 WeakPolarHBondContact O-CB 3.49Å; L283-Y288 PolarHBondContact O-N 3.09Å; L283-I289 HydrophobicContact CB-CD1 3.87Å; L283-I289 HydrophobicContact CB-CG1 3.93Å; L283-I289 HydrophobicContact CD1-CD1 3.76Å; L283-I289 HydrophobicContact CD1-CG1 4.46Å
284Q94.8Very high87.4Confident55 Ų5553.5 Ų53.526%0.25730%0.3SS..Hα-helixtrans-63.5-39.9175.1-74.3177.8-14.200112.5K280 Y281 F282 M286 G287 Y288 I289K280-Q284 VanDerWaalsContact O-CG 3.31Å; K280-Q284 WeakPolarHBondContact O-CG 3.47Å; K280-Q284 PolarHBondContact O-N 2.84Å; Y281-Q284 PolarHBondContact O-N 3.06Å; F282-Q284 VanDerWaalsContact C-N 3.35Å; F282-Q284 PolarHBondContact O-N 3.41Å; Q284-M286 PolarHBondContact O-N 3.14Å; Q284-G287 PolarHBondContact O-N 3.31Å; Q284-Y288 VanDerWaalsContact CA-O 3.28Å; Q284-Y288 WeakPolarHBondContact CA-O 3.39Å; Q284-I289 HydrophobicContact CG-CG1 4.19Å
285G94.6Very high85.4Confident73 Ų7357 Ų5775%0.75331%0.311SS*.Hα-helixtrans-60.6-27.8173.300000113.2Y281 F282 G287Y281-G285 PolarHBondContact O-N 2.9Å; F282-G285 PolarHBondContact O-N 3.5Å; G285-G287 VanDerWaalsContact C-N 3.3Å
286M94.3Very high83.3Confident41 Ų4163.7 Ų63.720%0.20234%0.336CS..THydrogen-bonded Turntrans-84.1-0.6173.2-65.2170.748.700113.7V109 E132 P228 F282 L283 Q284 Y288V109-M286 HydrophobicContact CG2-CE 3.61Å; E132-M286 HydrophobicContact CB-CE 3.89Å; P228-M286 HydrophobicContact CG-CG 4.43Å; F282-M286 HydrophobicContact CD1-SD 4Å; F282-M286 HydrophobicContact CE1-SD 3.52Å; F282-M286 VanDerWaalsContact CE1-SD 3.52Å; F282-M286 HydrophobicContact CZ-SD 3.84Å; F282-M286 PolarHBondContact O-N 3.2Å; L283-M286 WeakPolarHBondContact O-CB 3.44Å; L283-M286 PolarHBondContact O-N 3.13Å; L283-M286 VanDerWaalsContact O-N 3.15Å; Q284-M286 PolarHBondContact O-N 3.14Å; M286-Y288 HydrophobicContact CB-CD2 3.79Å; M286-Y288 HydrophobicContact CB-CE2 4.08Å; M286-Y288 HydrophobicContact CE-CD2 3.96Å; M286-Y288 HydrophobicContact CE-CE2 3.65Å
287G93.3Very high80.9Confident62 Ų6270 Ų7064%0.63937%0.369SS*.THydrogen-bonded Turntrans86.38.9-178.500000114.6L283 Q284 G285L283-G287 PolarHBondContact O-N 2.77Å; Q284-G287 PolarHBondContact O-N 3.31Å; G285-G287 VanDerWaalsContact C-N 3.3Å
288Y91.6Very high78.4Confident44 Ų4472.6 Ų72.617%0.17339%0.393CS..  trans-92.1154.2175.5-61.9-59.4000112.2P31 F63 E132 L283 Q284 M286 A290P31-Y288 VanDerWaalsContact CD-CZ 3.48Å; P31-Y288 WeakPolarHBondContact CD-OH 3.37Å; P31-Y288 HydrophobicContact CG-CE2 3.91Å; F63-Y288 HydrophobicContact CE1-CG 4.31Å; F63-Y288 HydrophobicContact CZ-CG 4.19Å; E132-Y288 WeakPolarHBondContact OE2-CE2 3.4Å; E132-Y288 VanDerWaalsContact OE2-CZ 3.27Å; E132-Y288 PolarHBondContact OE2-OH 3.06Å; L283-Y288 HydrophobicContact CD2-CD2 4.46Å; L283-Y288 WeakPolarHBondContact O-CB 3.49Å; L283-Y288 PolarHBondContact O-N 3.09Å; Q284-Y288 VanDerWaalsContact CA-O 3.28Å; Q284-Y288 WeakPolarHBondContact CA-O 3.39Å; M286-Y288 HydrophobicContact CB-CD2 3.79Å; M286-Y288 HydrophobicContact CB-CE2 4.08Å; M286-Y288 HydrophobicContact CE-CD2 3.96Å; M286-Y288 HydrophobicContact CE-CE2 3.65Å; Y288-A290 PolarHBondContact O-N 3.11Å
289I84.4Confident75.8Confident15 Ų1574.8 Ų74.88%0.07742%0.418CS..SBendtrans48.329.5170.663.3166000116.1I59 H62 F63 K280 L283 Q284 N291 V292I59-I289 HydrophobicContact CG1-CD1 4.15Å; I59-I289 HydrophobicContact CG2-CD1 4.26Å; H62-I289 HydrophobicContact CB-CG2 3.87Å; F63-I289 HydrophobicContact CE2-CG2 3.64Å; F63-I289 HydrophobicContact CZ-CG2 4.04Å; K280-I289 HydrophobicContact CG-CD1 4.2Å; L283-I289 HydrophobicContact CB-CD1 3.87Å; L283-I289 HydrophobicContact CB-CG1 3.93Å; L283-I289 HydrophobicContact CD1-CD1 3.76Å; L283-I289 HydrophobicContact CD1-CG1 4.46Å; Q284-I289 HydrophobicContact CG-CG1 4.19Å; I289-N291 PolarHBondContact O-N 3Å; I289-V292 HydrophobicContact CB-CG2 3.82Å; I289-V292 HydrophobicContact CG2-CG2 4.3Å; I289-V292 PolarHBondContact O-N 2.94Å
290A71.1Confident73Confident73 Ų7377.6 Ų77.660%0.60345%0.448SS*.THydrogen-bonded Turntrans-55-20.4-179.100000114.8Y288Y288-A290 PolarHBondContact O-N 3.11Å
291N63.3Low70.2Confident153 Ų15383.2 Ų83.282%0.81849%0.486SS*.THydrogen-bonded Turntrans-99.3-0.3-178.2-64.9-31.7000114.7I289 K293I289-N291 PolarHBondContact O-N 3Å; N291-K293 PolarHBondContact O-N 3.23Å
292V62.7Low68Low30 Ų3082.8 Ų82.818%0.18249%0.494CS..  trans-75.399175.8179.90000107.9I289I289-V292 HydrophobicContact CB-CG2 3.82Å; I289-V292 HydrophobicContact CG2-CG2 4.3Å; I289-V292 PolarHBondContact O-N 2.94Å
293K55.2Low65.2Low190 Ų19087.6 Ų87.683%0.82653%0.528SS*.  trans-72.3137.5-179.8-68.3-173.6178.3-177.70110.6N291 R295N291-K293 PolarHBondContact O-N 3.23Å; K293-R295 PolarHBondContact O-N 3.24Å
294D54.8Low62.4Low35 Ų3592.3 Ų92.319%0.18756%0.561CS.*  trans-63.2119.2170.6-117.9-32.6000110.4K280 R296 L297K280-D294 IonicContact NZ-OD1 3.59Å; K280-D294 PolarHBondContact NZ-OD1 3.46Å; K280-D294 IonicContact NZ-OD2 3.47Å; K280-D294 PolarHBondContact NZ-OD2 3.45Å; D294-R296 PolarHBondContact O-N 2.88Å; D294-L297 HydrophobicContact CB-CB 4.24Å; D294-L297 HydrophobicContact CB-CD1 3.63Å; D294-L297 HydrophobicContact CB-CG 3.79Å
295R55.1Low59.8Low189 Ų18993.6 Ų93.671%0.71358%0.581SS**G310 helixtrans-63.6-26.2171.5-81.4-177.5165.7-175.2-2.3111.7K293 S298K293-R295 PolarHBondContact O-N 3.24Å; R295-S298 PolarHBondContact O-OG 2.86Å; R295-S298 VanDerWaalsContact O-OG 3.11Å
296R54.8Low56.9Low143 Ų14395 Ų9554%0.5458%0.579SS.*G310 helixtrans-78.8-15.8-175.5-60.8-175.4-168.3-164.33.9114.8D55 D294 S298D55-R296 IonicContact OD2-CZ 2.74Å; D55-R296 IonicContact OD2-NE 3.5Å; D55-R296 IonicContact OD2-NH2 2.65Å; D55-R296 PolarHBondContact OD2-NH2 3.49Å; D294-R296 PolarHBondContact O-N 2.88Å; R296-S298 PolarHBondContact O-N 3.41Å; R296-S298 VanDerWaalsContact O-N 3.09Å
297L47.2Very low54.4Low136 Ų13699 Ų9971%0.71260%0.599SS**G310 helixtrans-769.9177.9-74.9169.9000114D294D294-L297 HydrophobicContact CB-CB 4.24Å; D294-L297 HydrophobicContact CB-CD1 3.63Å; D294-L297 HydrophobicContact CB-CG 3.79Å
298S45Very low51.8Low115 Ų115101.8 Ų101.880%0.80460%0.603SS**G310 helixtrans-95.61173.962.90000114.7R295 R296R295-S298 PolarHBondContact O-OG 2.86Å; R295-S298 VanDerWaalsContact O-OG 3.11Å; R296-S298 PolarHBondContact O-N 3.41Å; R296-S298 VanDerWaalsContact O-N 3.09Å
299G43.1Very low49.7Very low67 Ų67110.5 Ų110.569%0.69164%0.636SS**SBendtrans-164.398.8176.900000116
300G39.9Very low47.4Very low61 Ų61117.6 Ų117.663%0.62967%0.674SS**SBendtrans101.4157.4157.900000117
301P38.6Very low45.8Very low136 Ų136118.2 Ų118.288%0.88368%0.679SS**PPolyproline II helixtrans-73.3130.1-177.5-3.220.3000111
302V49.6Very low44.7Very low101 Ų101122.3 Ų122.361%0.61268%0.683SS**PPolyproline II helixtrans-85.5137.6178.9-161.80000109.8S304V302-S304 PolarHBondContact O-N 3.12Å
303P39.7Very low43.1Very low120 Ų120126.1 Ų126.178%0.77971%0.71SS**PPolyproline II helixtrans-65.2125.6167.1-12.126.4000109.2A305P303-A305 PolarHBondContact O-N 3.38Å; P303-A305 VanDerWaalsContact O-N 3.1Å
304S37.3Very low42.2Very low100 Ų100128.5 Ų128.570%0.69971%0.714SS**  trans-61.3111.9178179.10000110.3V302 S306V302-S304 PolarHBondContact O-N 3.12Å; S304-S306 PolarHBondContact O-N 3Å
305A39.9Very low41.1Very low81 Ų81133.1 Ų133.167%0.66974%0.744SS**  trans-61.1107.2153.700000105.9P303 M307P303-A305 PolarHBondContact O-N 3.38Å; P303-A305 VanDerWaalsContact O-N 3.1Å; A305-M307 VanDerWaalsContact C-N 3.3Å; A305-M307 PolarHBondContact O-N 3.41Å
306S33.6Very low40.1Very low104 Ų104128.6 Ų128.673%0.72775%0.747SS**  trans-66.292.7-178.7-72.60000108.9S304 T308S304-S306 PolarHBondContact O-N 3Å; S306-T308 PolarHBondContact O-N 2.85Å; S306-T308 VanDerWaalsContact O-N 3.14Å
307M41.3Very low39.1Very low123 Ų123127.2 Ų127.261%0.60676%0.759SS**  trans-73.397.1165.1-73.4-165.867.300107.7T256 A305 R309T256-M307 HydrophobicContact CG2-CE 3.56Å; A305-M307 VanDerWaalsContact C-N 3.3Å; A305-M307 PolarHBondContact O-N 3.41Å; M307-R309 PolarHBondContact O-N 3.12Å
308T40.1Very low38.2Very low121 Ų121128.8 Ų128.874%0.74277%0.767SS**  trans-71.984.8173.1-48.50000109.1S306 L310S306-T308 PolarHBondContact O-N 2.85Å; S306-T308 VanDerWaalsContact O-N 3.14Å; T308-L310 HydrophobicContact CG2-CG 4.36Å; T308-L310 PolarHBondContact O-N 3.12Å; T308-L310 VanDerWaalsContact O-N 3.15Å
309R46.6Very low37.5Very low227 Ų227129.4 Ų129.486%0.85777%0.767SS**  trans-68104.5154.7-94.6-170.6170.4-154.4-2.3106.6M307 A311M307-R309 PolarHBondContact O-N 3.12Å; R309-A311 VanDerWaalsContact C-N 3.26Å; R309-A311 PolarHBondContact O-N 3.46Å
310L36.7Very low37Very low165 Ų165132.2 Ų132.286%0.86478%0.776SS**  trans-62.891167.2-89.5150.2000108.6T308T308-L310 HydrophobicContact CG2-CG 4.36Å; T308-L310 PolarHBondContact O-N 3.12Å; T308-L310 VanDerWaalsContact O-N 3.15Å
311A36.5Very low36.7Very low86 Ų86134 Ų13471%0.71178%0.784SS**  trans-71.1126.6167.700000108.5R309 S313R309-A311 VanDerWaalsContact C-N 3.26Å; R309-A311 PolarHBondContact O-N 3.46Å; A311-S313 PolarHBondContact O-N 3.08Å
312R40.4Very low36.2Very low239 Ų239131.2 Ų131.290%0.90278%0.78SS**  trans-60.6106-178.6-158.5175.7-171178.52.7109.8R314R312-R314 PolarHBondContact O-N 2.94Å; R312-R314 VanDerWaalsContact O-N 3.09Å
313S29.1Very low35.3Very low109 Ų109132 Ų13276%0.76279%0.79SS**  trans-59.8111.7166.7-65.30000108.7A311 T315A311-S313 PolarHBondContact O-N 3.08Å; S313-T315 PolarHBondContact O-N 3.2Å
314R36.7Very low34.9Very low240 Ų240132.5 Ų132.591%0.90679%0.791SS**  trans-71.7103.2166.8-72.3-178.1174.9-178.8-1.6107.3R312 A316R312-R314 PolarHBondContact O-N 2.94Å; R312-R314 VanDerWaalsContact O-N 3.09Å; R314-A316 PolarHBondContact O-N 2.69Å; R314-A316 VanDerWaalsContact O-N 3.17Å
315T32.6Very low34.7Very low132 Ų132137.1 Ų137.181%0.8180%0.801SS**  trans-71103.4166.944.30000108.5S313S313-T315 PolarHBondContact O-N 3.2Å
316A32.6Very low34.2Very low94 Ų94137 Ų13778%0.77781%0.809SS**  trans-85115.8159.200000107.4R314 L318R314-A316 PolarHBondContact O-N 2.69Å; R314-A316 VanDerWaalsContact O-N 3.17Å; A316-L318 PolarHBondContact O-N 2.93Å
317S35.2Very low34.1Very low115 Ų115137.6 Ų137.680%0.80481%0.812SS**  trans-69.2121.7173.9-440000109.5
318L28.3Very low33.6Very low168 Ų168142.5 Ų142.588%0.8882%0.824SS**  trans-143.4121.2160.5-87.3168.9000109.8A316A316-L318 PolarHBondContact O-N 2.93Å
319T30.3Very low33.2Very low129 Ų129142.2 Ų142.279%0.79183%0.827SS**  trans-74.6142.2168.840.60000110.5
320S32.4Very low32.5Very low126 Ų126143.3 Ų143.388%0.88183%0.831SS**  159.5155.1122.754.50000112.9
321A32.6Very low32.2Very low98 Ų98140.2 Ų140.281%0.8183%0.829SS**  trans-80.4152.4-163.300000114.9
322G29.8Very low32Very low77 Ų77141.9 Ų141.979%0.79484%0.835SS**  trans54.9113.9131.100000120.2
323S29.4Very low31.6Very low117 Ų117137.5 Ų137.582%0.81884%0.835SS**  136.3141.4102.6-145.80000115.6
324V32.1Very low31.5Very low132 Ų132139.6 Ų139.680%0.884%0.837SS**  trans82.4123.2156.9-147.40000121.2
325E32.8Very low31.2Very low196 Ų196133.2 Ų133.292%0.91683%0.829SS**  trans-52.7147.1164.2-90.9165.5135.400115.4
326G29.4Very low31.1Very low80 Ų80133.8 Ų133.883%0.82583%0.828SS**  trans-175.8115.2165.300000112.4
327S30.5Very low31Very low115 Ų115134.7 Ų134.780%0.80483%0.828SS**  trans-81.7154.9-173.2-160.10000113.7
328R31.3Very low30.7Very low226 Ų226133 Ų13385%0.85383%0.829SS**  trans104.1119150.7-66.5-173.9173.5175.9-1.9121.1
329S31.1Very low30.8Very low115 Ų115134.8 Ų134.880%0.80483%0.833SS**  92.1129.4129.1-58.90000121.9
330R33Very low30.7Very low250 Ų250132.4 Ų132.494%0.94383%0.834SS**  trans-54.8143.5169.7-71.9170.9158162.2-6.1113.8
331A30.3Very low30.7Very low100 Ų100133.9 Ų133.983%0.82684%0.837SS**  -169.2134.7126.300000110.8
332C31.4Very low30.4Very low122 Ų122132.5 Ų132.582%0.82483%0.833SS**  trans-78.8141165.7-52.50000109.1
333T32.4Very low30.5Very low147 Ų147133.9 Ų133.990%0.90284%0.837SS**  trans-172.1149.8132.530.40000112.1
334N28.4Very low30.6Very low152 Ų152135 Ų13581%0.81384%0.839SS**  trans-57.6167.4179.9-75.3-24.9000117.5
335S30.3Very low30.5Very low106 Ų106134 Ų13474%0.74184%0.838SS**  trans86.4117.7133.256.50000120.6
336D29Very low30.4Very low145 Ų145132.3 Ų132.378%0.77583%0.83SS**  95.7119.5125.1-99.7-31.5000122
337S30.7Very low30.5Very low112 Ų112134.7 Ų134.778%0.78383%0.828SS**  72.5133.6129.5-68.80000120.7
338G29.6Very low30.6Very low80 Ų80137.8 Ų137.883%0.82583%0.832SS**  trans149.9100.7155.200000115.4
339E29.4Very low30.6Very low205 Ų205135.7 Ų135.796%0.95883%0.832SS**  trans-57.1154.8171.2-62.2170.2122.600113.7
340G30Very low30.8Very low80 Ų80137 Ų13783%0.82584%0.835SS**  trans179.993.117200000114.8
341V30.4Very low30.8Very low156 Ų156130 Ų13095%0.94582%0.824SS**  trans-60.2144.4175.8176.60000112.7
342G28.3Very low31.2Very low69 Ų69135.2 Ų135.271%0.71185%0.852SS**  trans140.9135.1138.900000118.9
343A30.6Very low31.2Very low107 Ų107135.9 Ų135.988%0.88485%0.853SS**  trans96.5104.1150.200000119
344V31.7Very low31.1Very low141 Ų141135.3 Ų135.386%0.85585%0.851SS**  trans-63.9139.4157.6177.50000110.2
345S29.7Very low31.3Very low111 Ų111134.3 Ų134.378%0.77685%0.853SS**  trans-158.5142.7140-161.60000112.1
346Q30.4Very low31.4Very low160 Ų160136 Ų13675%0.74886%0.86SS**  trans-65.3156.9-177.9-64.5155.9-39.200112.2
347T33.1Very low31.5Very low129 Ų129135.4 Ų135.479%0.79187%0.865SS**  172.113810632.90000113.8
348M31.3Very low31.6Very low180 Ų180137 Ų13789%0.88787%0.87SS**  trans66.7113.6142.5-84.5175.5157.100122.7
349E32.7Very low31.7Very low182 Ų182141.1 Ų141.185%0.8587%0.874SS**  trans-44.1141.6143.3-59.9173.4133.600112.7
350V33.7Very low31.9Very low143 Ų143136.2 Ų136.287%0.86787%0.867SS**  trans-147.4124.9134.2-173.10000108.6
351S33.5Very low32Very low103 Ų103140.8 Ų140.872%0.7287%0.871SS**  trans-72.8147.2171.7-48.20000112.3
352C39.1Very low32.2Very low209 Ų209139.5 Ų139.5100%1.41286%0.864SS**  trans-155.40130.6-90.10000107.7

Retrieved 352 of 352 residues in 107.6 ms (Link to these results)

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