A0A087YHP9_POEFO Loading...

Clavesin-1

Required for normal morphology of late endosomes and/or lysosomes in neurons. Binds phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2).

AlphaFold DB , UniProt , Accession A0A087YHP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 326 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
1M33.7Very low58.3Low238 Ų238109.3 Ų109.3100%1.17263%0.629SS**  0108.80-73169.6175.600106.1
2M29.8Very low61.2Low179 Ų179113.2 Ų113.288%0.88264%0.638SS**  trans-79.7121-177.3-74.9174.8174.300108.3H4M2-H4 PolarHBondContact O-N 3.39Å
3N36.7Very low63.8Low152 Ų152105 Ų10581%0.81359%0.592SS**  trans-62.2103.8173.8-69.3-17.7000108.7V5N3-V5 PolarHBondContact O-N 2.68Å
4H41.1Very low66.1Low170 Ų170100 Ų10079%0.78757%0.565SS**  trans-72.679.1165.7-83.5-73.5000109M2 P6M2-H4 PolarHBondContact O-N 3.39Å; H4-P6 WeakPolarHBondContact O-CD 3.49Å; H4-P6 VanDerWaalsContact O-N 3.1Å
5V44.4Very low68Low71 Ų7198.9 Ų98.943%0.4355%0.553SS.*  24.267.1109.9-101.20000118.2N3 L9N3-V5 PolarHBondContact O-N 2.68Å; V5-L9 VanDerWaalsContact CG1-O 3.27Å; V5-L9 WeakPolarHBondContact CG1-O 3.23Å
6P52.3Low69.8Low34 Ų3495.3 Ų95.322%0.22153%0.53CS..  trans-58.1130.1171.8-18.632.3000108.1H4 G8 L9H4-P6 WeakPolarHBondContact O-CD 3.49Å; H4-P6 VanDerWaalsContact O-N 3.1Å; P6-G8 PolarHBondContact O-N 2.8Å; P6-G8 VanDerWaalsContact O-N 3.17Å; P6-L9 HydrophobicContact CB-CD1 4.49Å; P6-L9 PolarHBondContact O-N 3.06Å
7P58.6Low71.4Confident132 Ų13289.8 Ų89.886%0.85750%0.5SS*.THydrogen-bonded Turntrans-55.8126.5-174.919.9-29.8000110.1
8G73.7Confident72.9Confident63 Ų6391.9 Ų91.965%0.64950%0.499SS*.THydrogen-bonded Turntrans98.7-2.1176.800000117.1P6P6-G8 PolarHBondContact O-N 2.8Å; P6-G8 VanDerWaalsContact O-N 3.17Å
9L87.9Confident74.2Confident17 Ų1792.6 Ų92.69%0.08950%0.501CS..  trans-107.5143.7173.3-66.9-179.9000112.9V5 P6 T13 P152 E153 I156V5-L9 VanDerWaalsContact CG1-O 3.27Å; V5-L9 WeakPolarHBondContact CG1-O 3.23Å; P6-L9 HydrophobicContact CB-CD1 4.49Å; P6-L9 PolarHBondContact O-N 3.06Å; L9-T13 HydrophobicContact CD2-CG2 4.02Å; L9-P152 HydrophobicContact CD2-CB 3.6Å; L9-P152 HydrophobicContact CG-CB 4.23Å; L9-E153 HydrophobicContact CD2-CG 4.12Å; L9-I156 HydrophobicContact CD1-CD1 3.56Å; L9-I156 HydrophobicContact CD2-CD1 3.65Å; L9-I156 HydrophobicContact CG-CD1 4.28Å
10S90.7Very high75.3Confident48 Ų4892.3 Ų92.334%0.33650%0.496SS..  trans-71159.3167.884.70000111.3E12 T13 T14 E153S10-E12 VanDerWaalsContact C-N 3.27Å; S10-E12 PolarHBondContact O-N 3.25Å; S10-E12 PolarHBondContact OG-N 3.4Å; S10-T13 PolarHBondContact O-N 3.47Å; S10-T13 WeakPolarHBondContact OG-CB 3.15Å; S10-T13 PolarHBondContact OG-N 2.78Å; S10-T13 PolarHBondContact OG-OG1 3.45Å; S10-T14 WeakPolarHBondContact O-CB 3.35Å; S10-T14 PolarHBondContact O-N 3.28Å; S10-T14 PolarHBondContact O-OG1 2.99Å; S10-E153 PolarHBondContact N-OE1 3.47Å; S10-E153 PolarHBondContact OG-OE1 3.18Å
11S92.4Very high76.4Confident98 Ų9887.9 Ų87.969%0.68547%0.473SS*.Hα-helixtrans-61.5-36.1175.6630000112.8E15S11-E15 PolarHBondContact O-N 2.83Å; S11-E15 VanDerWaalsContact O-N 3.11Å
12E93.6Very high79.4Confident156 Ų15681.5 Ų81.573%0.72944%0.443SS*.Hα-helixtrans-66.3-45.5177.1-176.5179.1175.800110.8S10 T14 E15 K16S10-E12 VanDerWaalsContact C-N 3.27Å; S10-E12 PolarHBondContact O-N 3.25Å; S10-E12 PolarHBondContact OG-N 3.4Å; E12-T14 PolarHBondContact O-N 3.38Å; E12-E15 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact O-CB 3.41Å; E12-K16 PolarHBondContact O-N 2.92Å
13T94.9Very high82.6Confident7 Ų773.5 Ų73.54%0.04340%0.404CS..Hα-helixtrans-69-35.8-179.9-51.90000112L9 S10 K16 A17 E153 I156L9-T13 HydrophobicContact CD2-CG2 4.02Å; S10-T13 PolarHBondContact O-N 3.47Å; S10-T13 WeakPolarHBondContact OG-CB 3.15Å; S10-T13 PolarHBondContact OG-N 2.78Å; S10-T13 PolarHBondContact OG-OG1 3.45Å; T13-K16 PolarHBondContact O-N 3.49Å; T13-A17 WeakPolarHBondContact O-CB 3.5Å; T13-A17 PolarHBondContact O-N 3.26Å; T13-E153 WeakPolarHBondContact CB-OE1 3.39Å; T13-E153 WeakPolarHBondContact CB-OE2 3.44Å; T13-E153 WeakPolarHBondContact CG2-OE2 3.04Å; T13-E153 PolarHBondContact OG1-OE1 2.95Å; T13-E153 VanDerWaalsContact OG1-OE1 3.09Å; T13-E153 PolarHBondContact OG1-OE2 3.33Å; T13-I156 HydrophobicContact CG2-CB 3.75Å; T13-I156 HydrophobicContact CG2-CD1 3.65Å; T13-I156 HydrophobicContact CG2-CG1 4.32Å; T13-I156 HydrophobicContact CG2-CG2 3.65Å
14T94.9Very high85.4Confident35 Ų3569.3 Ų69.322%0.21538%0.381CS..Hα-helixtrans-61.2-46173.4-57.50000110.8S10 E12 K16 A17 R18S10-T14 WeakPolarHBondContact O-CB 3.35Å; S10-T14 PolarHBondContact O-N 3.28Å; S10-T14 PolarHBondContact O-OG1 2.99Å; E12-T14 PolarHBondContact O-N 3.38Å; T14-K16 VanDerWaalsContact C-N 3.35Å; T14-K16 PolarHBondContact O-N 3.31Å; T14-A17 PolarHBondContact O-N 3.3Å; T14-R18 PolarHBondContact O-N 2.84Å; T14-R18 VanDerWaalsContact O-N 3.07Å
15E96Very high87.8Confident83 Ų8364.7 Ų64.739%0.38837%0.366SS..Hα-helixtrans-66.2-38.7177.6-179.861.3-179.200111.8S11 E12 R18 L19S11-E15 PolarHBondContact O-N 2.83Å; S11-E15 VanDerWaalsContact O-N 3.11Å; E12-E15 PolarHBondContact O-N 3.39Å; E15-R18 WeakPolarHBondContact O-CB 3.34Å; E15-R18 PolarHBondContact O-N 3.43Å; E15-R18 IonicContact OE1-CZ 3.56Å; E15-R18 IonicContact OE1-NE 3.64Å; E15-R18 IonicContact OE1-NH2 2.68Å; E15-R18 PolarHBondContact OE1-NH2 3.15Å; E15-R18 IonicContact OE2-CZ 3.52Å; E15-R18 IonicContact OE2-NE 2.8Å; E15-R18 PolarHBondContact OE2-NE 3.08Å; E15-R18 IonicContact OE2-NH2 3.39Å; E15-R18 PolarHBondContact OE2-NH2 2.95Å; E15-L19 HydrophobicContact CG-CD1 3.89Å; E15-L19 HydrophobicContact CG-CG 4.38Å; E15-L19 WeakPolarHBondContact O-CB 3.41Å; E15-L19 WeakPolarHBondContact O-CG 3.13Å; E15-L19 PolarHBondContact O-N 3.28Å; E15-L19 WeakPolarHBondContact OE1-CD1 3.43Å
16K96.6Very high90.2Very high42 Ų4268.3 Ų68.318%0.18338%0.384CS..Hα-helixtrans-61.3-43.1173.3-174.9176.4179.4178.60112.3E12 T13 T14 R18 L19 E20 H115 I156 N157E12-K16 WeakPolarHBondContact O-CB 3.41Å; E12-K16 PolarHBondContact O-N 2.92Å; T13-K16 PolarHBondContact O-N 3.49Å; T14-K16 VanDerWaalsContact C-N 3.35Å; T14-K16 PolarHBondContact O-N 3.31Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 3.15Å; K16-L19 PolarHBondContact O-N 3.1Å; K16-E20 WeakPolarHBondContact CE-OE1 3.47Å; K16-E20 HydrophobicContact CG-CG 4.08Å; K16-E20 VanDerWaalsContact O-CB 3.3Å; K16-E20 WeakPolarHBondContact O-CB 3.37Å; K16-E20 PolarHBondContact O-N 2.85Å; K16-H115 PolarHBondContact NZ-O 3.01Å; K16-I156 HydrophobicContact CB-CG2 4.35Å; K16-I156 HydrophobicContact CD-CG2 4.27Å; K16-I156 HydrophobicContact CG-CG2 4.18Å; K16-N157 WeakPolarHBondContact CD-OD1 3.5Å; K16-N157 PolarHBondContact NZ-OD1 3.07Å
17A97.3Very high92.3Very high2 Ų268.7 Ų68.72%0.01739%0.385CS..Hα-helixtrans-60.8-44.8176.200000111.4T13 T14 L21 N22 E23 I156T13-A17 WeakPolarHBondContact O-CB 3.5Å; T13-A17 PolarHBondContact O-N 3.26Å; T14-A17 PolarHBondContact O-N 3.3Å; A17-L21 HydrophobicContact CB-CD1 4.39Å; A17-L21 CarbonylContact O-C 3.54Å; A17-L21 WeakPolarHBondContact O-CA 3.38Å; A17-L21 WeakPolarHBondContact O-CB 3.46Å; A17-L21 PolarHBondContact O-N 3.43Å; A17-N22 PolarHBondContact O-N 3.34Å; A17-E23 HydrophobicContact CB-CB 3.95Å; A17-E23 HydrophobicContact CB-CG 4.48Å; A17-E23 PolarHBondContact O-N 3.3Å; A17-I156 HydrophobicContact CB-CD1 3.84Å; A17-I156 HydrophobicContact CB-CG1 4.04Å; A17-I156 HydrophobicContact CB-CG2 4.03Å
18R97Very high94.1Very high127 Ų12764.3 Ų64.348%0.47936%0.355SS..Hα-helixtrans-60.3-48.1176.4-167.5-170.969.576.5-3.1112T14 E15 K16 N22T14-R18 PolarHBondContact O-N 2.84Å; T14-R18 VanDerWaalsContact O-N 3.07Å; E15-R18 WeakPolarHBondContact O-CB 3.34Å; E15-R18 PolarHBondContact O-N 3.43Å; E15-R18 IonicContact OE1-CZ 3.56Å; E15-R18 IonicContact OE1-NE 3.64Å; E15-R18 IonicContact OE1-NH2 2.68Å; E15-R18 PolarHBondContact OE1-NH2 3.15Å; E15-R18 IonicContact OE2-CZ 3.52Å; E15-R18 IonicContact OE2-NE 2.8Å; E15-R18 PolarHBondContact OE2-NE 3.08Å; E15-R18 IonicContact OE2-NH2 3.39Å; E15-R18 PolarHBondContact OE2-NH2 2.95Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 3.15Å; R18-N22 WeakPolarHBondContact O-CA 3.45Å; R18-N22 PolarHBondContact O-N 2.9Å
19L97.6Very high95.2Very high105 Ų10567.3 Ų67.355%0.5535%0.351SS..Hα-helixtrans-76.5-41.2-174.8-71.8176.2000113.9E15 K16E15-L19 HydrophobicContact CG-CD1 3.89Å; E15-L19 HydrophobicContact CG-CG 4.38Å; E15-L19 WeakPolarHBondContact O-CB 3.41Å; E15-L19 WeakPolarHBondContact O-CG 3.13Å; E15-L19 PolarHBondContact O-N 3.28Å; E15-L19 WeakPolarHBondContact OE1-CD1 3.43Å; K16-L19 PolarHBondContact O-N 3.1Å
20E96.9Very high95.7Very high86 Ų8672.2 Ų72.240%0.40237%0.374SS..Hα-helixtrans-96.6-27-172.2-64.1-171.7-17000114K16 K63 R195K16-E20 WeakPolarHBondContact CE-OE1 3.47Å; K16-E20 HydrophobicContact CG-CG 4.08Å; K16-E20 VanDerWaalsContact O-CB 3.3Å; K16-E20 WeakPolarHBondContact O-CB 3.37Å; K16-E20 PolarHBondContact O-N 2.85Å; E20-K63 WeakPolarHBondContact O-CD 3.35Å; E20-K63 WeakPolarHBondContact O-CE 3.47Å; E20-K63 PolarHBondContact O-NZ 3.01Å; E20-R195 IonicContact OE2-NH2 3.07Å; E20-R195 PolarHBondContact OE2-NH2 3.47Å
21L97.4Very high96Very high0 Ų070.7 Ų70.70%036%0.362CS..Hα-helixtrans-115.3-6.6-172.3-44.8-178000113.3A17 E23 R60 K63 F64 I156A17-L21 HydrophobicContact CB-CD1 4.39Å; A17-L21 CarbonylContact O-C 3.54Å; A17-L21 WeakPolarHBondContact O-CA 3.38Å; A17-L21 WeakPolarHBondContact O-CB 3.46Å; A17-L21 PolarHBondContact O-N 3.43Å; L21-E23 PolarHBondContact O-N 3.5Å; L21-R60 HydrophobicContact CD1-CB 4.05Å; L21-R60 HydrophobicContact CD1-CG 4.12Å; L21-K63 HydrophobicContact CD2-CG 4.15Å; L21-K63 CarbonylContact O-C 2.96Å; L21-K63 WeakPolarHBondContact O-CA 3.17Å; L21-K63 VanDerWaalsContact O-O 3.05Å; L21-F64 HydrophobicContact CB-CD2 4.46Å; L21-F64 VanDerWaalsContact O-CD2 3.23Å; L21-F64 WeakPolarHBondContact O-CD2 3.23Å; L21-I156 HydrophobicContact CD1-CB 4.31Å; L21-I156 HydrophobicContact CD1-CG1 4.03Å; L21-I156 HydrophobicContact CD1-CG2 4.14Å
22N97.8Very high96.3Very high104 Ų10466.3 Ų66.356%0.55633%0.331SS*.  trans61.726.5-174.1-43.5-57.1000113.5A17 R18 N24 K63A17-N22 PolarHBondContact O-N 3.34Å; R18-N22 WeakPolarHBondContact O-CA 3.45Å; R18-N22 PolarHBondContact O-N 2.9Å; N22-N24 PolarHBondContact O-N 3.11Å; N22-K63 PolarHBondContact ND2-O 3.02Å
23E97.1Very high96.5Very high11 Ų1162 Ų625%0.05131%0.31CS..  trans-67.7122176.7-176159.3165.300110.1A17 L21 R60 F64A17-E23 HydrophobicContact CB-CB 3.95Å; A17-E23 HydrophobicContact CB-CG 4.48Å; A17-E23 PolarHBondContact O-N 3.3Å; L21-E23 PolarHBondContact O-N 3.5Å; E23-R60 IonicContact OE1-CZ 3.24Å; E23-R60 IonicContact OE1-NE 3.5Å; E23-R60 PolarHBondContact OE1-NE 2.83Å; E23-R60 IonicContact OE1-NH2 3.63Å; E23-R60 PolarHBondContact OE1-NH2 2.92Å; E23-R60 WeakPolarHBondContact OE2-CG 3.42Å; E23-R60 IonicContact OE2-CZ 3.93Å; E23-R60 IonicContact OE2-NE 2.69Å; E23-R60 PolarHBondContact OE2-NE 3.04Å; E23-R60 IonicContact OE2-NH2 2.68Å; E23-R60 PolarHBondContact OE2-NH2 2.83Å; E23-F64 HydrophobicContact CB-CD2 4.2Å; E23-F64 HydrophobicContact CB-CE2 3.46Å; E23-F64 VanDerWaalsContact CB-CE2 3.46Å; E23-F64 HydrophobicContact CB-CZ 3.66Å; E23-F64 HydrophobicContact CG-CE1 4.25Å; E23-F64 HydrophobicContact CG-CE2 3.76Å; E23-F64 HydrophobicContact CG-CZ 3.42Å; E23-F64 VanDerWaalsContact CG-CZ 3.42Å
24N95.5Very high96.7Very high64 Ų6465.8 Ų65.834%0.34233%0.328SS..  trans-122.4112176.4-178.41.3000110.1N22 D26 T27 L28N22-N24 PolarHBondContact O-N 3.11Å; N24-D26 PolarHBondContact O-N 3.48Å; N24-D26 VanDerWaalsContact O-N 3.15Å; N24-D26 PolarHBondContact OD1-N 3.3Å; N24-T27 WeakPolarHBondContact CB-OG1 3.3Å; N24-T27 PolarHBondContact O-N 3.23Å; N24-T27 VanDerWaalsContact O-N 3.15Å; N24-T27 PolarHBondContact O-OG1 3.3Å; N24-L28 PolarHBondContact O-N 3.31Å; N24-L28 VanDerWaalsContact O-N 3.08Å
25P91.8Very high96.8Very high73 Ų7364.1 Ų64.147%0.47432%0.317SS..THydrogen-bonded Turntrans-55.9-31.2179.1-26.735.5000114T27P25-T27 VanDerWaalsContact C-N 3.33Å; P25-T27 PolarHBondContact O-N 3.14Å
26D95.1Very high96.9Very high148 Ų14863.1 Ų63.179%0.79131%0.31SS*.THydrogen-bonded Turntrans-73.2-25.3-177-62.6-30.7000112.8N24N24-D26 PolarHBondContact O-N 3.48Å; N24-D26 VanDerWaalsContact O-N 3.15Å; N24-D26 PolarHBondContact OD1-N 3.3Å
27T96.4Very high96.9Very high41 Ų4165.5 Ų65.525%0.25233%0.325SS..THydrogen-bonded Turntrans-107.5-6.5-179.862.80000113.4N24 P25 H29 Q30 D31N24-T27 WeakPolarHBondContact CB-OG1 3.3Å; N24-T27 PolarHBondContact O-N 3.23Å; N24-T27 VanDerWaalsContact O-N 3.15Å; N24-T27 PolarHBondContact O-OG1 3.3Å; P25-T27 VanDerWaalsContact C-N 3.33Å; P25-T27 PolarHBondContact O-N 3.14Å; T27-H29 VanDerWaalsContact C-N 3.28Å; T27-H29 PolarHBondContact O-N 2.85Å; T27-H29 VanDerWaalsContact O-N 3.1Å; T27-Q30 WeakPolarHBondContact O-CA 3.44Å; T27-Q30 WeakPolarHBondContact O-CB 3.17Å; T27-Q30 PolarHBondContact O-N 2.63Å; T27-D31 PolarHBondContact O-N 3.43Å; T27-D31 PolarHBondContact OG1-OD2 3.4Å
28L95.4Very high97Very high41 Ų4167.3 Ų67.322%0.21533%0.334CS..Hα-helixtrans-50.3-44.2-171.7178.360.3000113.6N24 Q30 D31 I32 L56 F64N24-L28 PolarHBondContact O-N 3.31Å; N24-L28 VanDerWaalsContact O-N 3.08Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.37Å; L28-D31 PolarHBondContact O-N 3.29Å; L28-I32 HydrophobicContact CD1-CD1 3.96Å; L28-I32 HydrophobicContact CD1-CG1 4.28Å; L28-I32 HydrophobicContact CG-CD1 4.07Å; L28-I32 WeakPolarHBondContact O-CG1 3.21Å; L28-I32 PolarHBondContact O-N 2.89Å; L28-L56 HydrophobicContact CD1-CD1 3.69Å; L28-F64 HydrophobicContact CD1-CE1 3.88Å; L28-F64 HydrophobicContact CD1-CZ 4.2Å
29H96.8Very high96.9Very high125 Ų12562.3 Ų62.358%0.57932%0.316SS*.Hα-helixtrans-63-39178.3-176.368.8000112.5T27 Q33T27-H29 VanDerWaalsContact C-N 3.28Å; T27-H29 PolarHBondContact O-N 2.85Å; T27-H29 VanDerWaalsContact O-N 3.1Å; H29-Q33 WeakPolarHBondContact O-CB 3.4Å; H29-Q33 PolarHBondContact O-N 3.37Å
30Q98.1Very high96.7Very high121 Ų12163 Ų6357%0.56532%0.324SS*.Hα-helixtrans-69.7-39.5176.6-60.7174.7-2.900111T27 L28 Q33 Q34T27-Q30 WeakPolarHBondContact O-CA 3.44Å; T27-Q30 WeakPolarHBondContact O-CB 3.17Å; T27-Q30 PolarHBondContact O-N 2.63Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.37Å; Q30-Q33 PolarHBondContact O-N 3.15Å; Q30-Q34 WeakPolarHBondContact O-CG 3.44Å; Q30-Q34 PolarHBondContact O-N 2.89Å
31D98.3Very high96.7Very high15 Ų1563.3 Ų63.38%0.0833%0.332CS..Hα-helixtrans-62.4-43.9178.3-65.5-43.5000111.5T27 L28 V35 L59 F64 H66T27-D31 PolarHBondContact O-N 3.43Å; T27-D31 PolarHBondContact OG1-OD2 3.4Å; L28-D31 PolarHBondContact O-N 3.29Å; D31-V35 PolarHBondContact O-N 3.43Å; D31-L59 HydrophobicContact CB-CD1 4.2Å; D31-L59 HydrophobicContact CB-CD2 4.47Å; D31-F64 HydrophobicContact CB-CD1 4.15Å; D31-F64 HydrophobicContact CB-CE1 4.43Å; D31-H66 IonicContact OD1-CD2 2.62Å; D31-H66 IonicContact OD1-CE1 3.45Å; D31-H66 PolarHBondContact OD1-CE1 3.18Å; D31-H66 IonicContact OD1-NE2 2.78Å; D31-H66 PolarHBondContact OD1-NE2 3.46Å
32I98.3Very high96.7Very high6 Ų666.6 Ų66.63%0.03134%0.344CS..Hα-helixtrans-64.3-44.3174.9-68.3169.3000110.8L28 Q34 V35 R36 D52 I55 L59L28-I32 HydrophobicContact CD1-CD1 3.96Å; L28-I32 HydrophobicContact CD1-CG1 4.28Å; L28-I32 HydrophobicContact CG-CD1 4.07Å; L28-I32 WeakPolarHBondContact O-CG1 3.21Å; L28-I32 PolarHBondContact O-N 2.89Å; I32-Q34 VanDerWaalsContact C-N 3.35Å; I32-Q34 PolarHBondContact O-N 3.41Å; I32-V35 PolarHBondContact O-N 3.35Å; I32-R36 PolarHBondContact O-N 2.91Å; I32-D52 HydrophobicContact CD1-CB 3.88Å; I32-D52 HydrophobicContact CG2-CB 4.49Å; I32-D52 WeakPolarHBondContact CG2-OD1 3.33Å; I32-I55 HydrophobicContact CB-CG2 4.45Å; I32-I55 HydrophobicContact CG1-CG2 4.3Å; I32-I55 HydrophobicContact CG2-CB 4.26Å; I32-I55 HydrophobicContact CG2-CD1 4.05Å; I32-I55 HydrophobicContact CG2-CG2 4.11Å; I32-L59 HydrophobicContact CG1-CD1 3.67Å
33Q98.1Very high96.5Very high66 Ų6667.3 Ų67.331%0.30836%0.355SS..Hα-helixtrans-63.4-40-179.2-17257.440.600112.1H29 Q30 V35 R36 D37H29-Q33 WeakPolarHBondContact O-CB 3.4Å; H29-Q33 PolarHBondContact O-N 3.37Å; Q30-Q33 PolarHBondContact O-N 3.15Å; Q33-V35 VanDerWaalsContact C-N 3.3Å; Q33-V35 PolarHBondContact O-N 3.22Å; Q33-R36 WeakPolarHBondContact O-CB 3.42Å; Q33-R36 PolarHBondContact O-N 3.09Å; Q33-R36 VanDerWaalsContact O-N 3.1Å; Q33-D37 PolarHBondContact NE2-OD1 3.04Å; Q33-D37 VanDerWaalsContact O-CG 3.24Å; Q33-D37 PolarHBondContact O-N 3.05Å
34Q98.1Very high96.5Very high86 Ų8671.4 Ų71.440%0.40238%0.377SS..Hα-helixtrans-59.6-39.7175.7-75.6179.850.600112.5Q30 I32 D37 M38Q30-Q34 WeakPolarHBondContact O-CG 3.44Å; Q30-Q34 PolarHBondContact O-N 2.89Å; I32-Q34 VanDerWaalsContact C-N 3.35Å; I32-Q34 PolarHBondContact O-N 3.41Å; Q34-D37 PolarHBondContact O-N 3.38Å; Q34-M38 WeakPolarHBondContact O-CE 3.21Å; Q34-M38 PolarHBondContact O-N 2.88Å
35V98.1Very high96.5Very high0 Ų068.8 Ų68.80%036%0.363CS..Hα-helixtrans-66.2-41.2175.2178.70000110.9D31 I32 Q33 D37 M38 I39 I55 L59 H66 T69 L73D31-V35 PolarHBondContact O-N 3.43Å; I32-V35 PolarHBondContact O-N 3.35Å; Q33-V35 VanDerWaalsContact C-N 3.3Å; Q33-V35 PolarHBondContact O-N 3.22Å; V35-D37 VanDerWaalsContact C-N 3.32Å; V35-D37 PolarHBondContact O-N 3.44Å; V35-M38 HydrophobicContact CG2-CE 4.34Å; V35-M38 WeakPolarHBondContact O-CB 3.43Å; V35-M38 PolarHBondContact O-N 2.78Å; V35-M38 VanDerWaalsContact O-N 3.11Å; V35-I39 PolarHBondContact O-N 3.5Å; V35-I55 HydrophobicContact CB-CG2 3.97Å; V35-I55 HydrophobicContact CG1-CG2 3.96Å; V35-I55 HydrophobicContact CG2-CG2 4.39Å; V35-L59 HydrophobicContact CG2-CD2 3.9Å; V35-L59 HydrophobicContact CG2-CG 4.39Å; V35-H66 HydrophobicContact CG2-CB 4.48Å; V35-T69 HydrophobicContact CG1-CG2 4.08Å; V35-T69 HydrophobicContact CG2-CG2 3.69Å; V35-L73 HydrophobicContact CG1-CD2 3.89Å
36R97.1Very high96.6Very high63 Ų6366.6 Ų66.624%0.23835%0.354CS..Hα-helixtrans-62.2-38.4176.8-169.8178.3-69.5121.3-0.4112.3I32 Q33 M38 I39 T50 D52 I55I32-R36 PolarHBondContact O-N 2.91Å; Q33-R36 WeakPolarHBondContact O-CB 3.42Å; Q33-R36 PolarHBondContact O-N 3.09Å; Q33-R36 VanDerWaalsContact O-N 3.1Å; R36-M38 PolarHBondContact O-N 2.86Å; R36-I39 WeakPolarHBondContact O-CB 3.35Å; R36-I39 PolarHBondContact O-N 3.01Å; R36-I39 VanDerWaalsContact O-N 3.15Å; R36-T50 PolarHBondContact NH2-O 3.1Å; R36-D52 IonicContact CZ-OD1 3.82Å; R36-D52 IonicContact NH1-OD1 3.87Å; R36-D52 IonicContact NH2-OD1 2.66Å; R36-D52 PolarHBondContact NH2-OD1 2.85Å; R36-I55 HydrophobicContact CB-CD1 4.5Å
37D97.5Very high96.7Very high91 Ų9161.2 Ų61.249%0.48732%0.323SS..Hα-helixtrans-66.9-25.4176.2-64.5-17000112.2Q33 Q34 V35 V40Q33-D37 PolarHBondContact NE2-OD1 3.04Å; Q33-D37 VanDerWaalsContact O-CG 3.24Å; Q33-D37 PolarHBondContact O-N 3.05Å; Q34-D37 PolarHBondContact O-N 3.38Å; V35-D37 VanDerWaalsContact C-N 3.32Å; V35-D37 PolarHBondContact O-N 3.44Å; D37-V40 WeakPolarHBondContact O-CG2 3.44Å
38M98.1Very high96.5Very high41 Ų4165.4 Ų65.420%0.20234%0.343CS..Hα-helixtrans-77.6-26.4173.6-70.5-175.2-84.300113Q34 V35 R36 V40 T41 H66 F70Q34-M38 WeakPolarHBondContact O-CE 3.21Å; Q34-M38 PolarHBondContact O-N 2.88Å; V35-M38 HydrophobicContact CG2-CE 4.34Å; V35-M38 WeakPolarHBondContact O-CB 3.43Å; V35-M38 PolarHBondContact O-N 2.78Å; V35-M38 VanDerWaalsContact O-N 3.11Å; R36-M38 PolarHBondContact O-N 2.86Å; M38-V40 VanDerWaalsContact C-N 3.27Å; M38-V40 PolarHBondContact O-N 3.31Å; M38-T41 WeakPolarHBondContact O-CB 3.47Å; M38-T41 WeakPolarHBondContact O-CG2 3.48Å; M38-T41 PolarHBondContact O-N 2.79Å; M38-T41 PolarHBondContact O-OG1 3.05Å; M38-H66 HydrophobicContact CE-CB 3.67Å; M38-H66 VanDerWaalsContact CE-O 3.23Å; M38-H66 WeakPolarHBondContact CE-O 3.36Å; M38-F70 HydrophobicContact CB-CB 4.13Å; M38-F70 HydrophobicContact CB-CD1 3.91Å; M38-F70 HydrophobicContact CB-CD2 3.64Å; M38-F70 HydrophobicContact CB-CE1 4.2Å; M38-F70 HydrophobicContact CB-CE2 3.98Å; M38-F70 HydrophobicContact CB-CG 3.6Å; M38-F70 HydrophobicContact CB-CZ 4.22Å; M38-F70 HydrophobicContact CE-CB 3.87Å; M38-F70 HydrophobicContact CG-CG 4.46Å; M38-F70 WeakPolarHBondContact O-CE2 3.36Å; M38-F70 WeakPolarHBondContact O-CZ 3.26Å; M38-F70 HydrophobicContact SD-CB 3.86Å; M38-F70 HydrophobicContact SD-CD1 4.22Å; M38-F70 HydrophobicContact SD-CG 4.13Å
39I96.3Very high96.4Very high22 Ų2266.9 Ų66.911%0.11335%0.346CS..Hα-helixtrans-57.2-40.6179-68.7174.8000111.8V35 R36 T41 R42 F47 T50 F70 L73V35-I39 PolarHBondContact O-N 3.5Å; R36-I39 WeakPolarHBondContact O-CB 3.35Å; R36-I39 PolarHBondContact O-N 3.01Å; R36-I39 VanDerWaalsContact O-N 3.15Å; I39-T41 PolarHBondContact O-N 2.92Å; I39-T41 VanDerWaalsContact O-N 3.07Å; I39-R42 PolarHBondContact O-N 3.32Å; I39-R42 VanDerWaalsContact O-N 3.11Å; I39-F47 HydrophobicContact CB-CE2 4.5Å; I39-F47 HydrophobicContact CD1-CD1 4.48Å; I39-F47 HydrophobicContact CG1-CD1 4.32Å; I39-F47 HydrophobicContact CG1-CE1 4.26Å; I39-F47 HydrophobicContact CG1-CZ 4.48Å; I39-F47 HydrophobicContact CG2-CB 4.11Å; I39-F47 HydrophobicContact CG2-CD1 4.19Å; I39-F47 HydrophobicContact CG2-CD2 3.48Å; I39-F47 VanDerWaalsContact CG2-CD2 3.48Å; I39-F47 HydrophobicContact CG2-CE1 4.48Å; I39-F47 HydrophobicContact CG2-CE2 3.77Å; I39-F47 HydrophobicContact CG2-CG 3.68Å; I39-F47 HydrophobicContact CG2-CZ 4.29Å; I39-T50 HydrophobicContact CD1-CG2 3.62Å; I39-F70 HydrophobicContact CG1-CD2 4.45Å; I39-F70 HydrophobicContact CG1-CE2 4.27Å; I39-L73 HydrophobicContact CD1-CD2 3.8Å; I39-L73 HydrophobicContact CG1-CD2 4.13Å
40V93.8Very high96.4Very high119 Ų11963.3 Ų63.372%0.72133%0.333SS*.THydrogen-bonded Turntrans-65.1-15.6-179.2-58.20000113.6D37 M38 R42D37-V40 WeakPolarHBondContact O-CG2 3.44Å; M38-V40 VanDerWaalsContact C-N 3.27Å; M38-V40 PolarHBondContact O-N 3.31Å; V40-R42 VanDerWaalsContact C-N 3.27Å; V40-R42 PolarHBondContact O-N 3.5Å
41T96.2Very high96.3Very high92 Ų9260.4 Ų60.456%0.56432%0.322SS*.THydrogen-bonded Turntrans-78.2-10.317874.20000113.4M38 I39 P43M38-T41 WeakPolarHBondContact O-CB 3.47Å; M38-T41 WeakPolarHBondContact O-CG2 3.48Å; M38-T41 PolarHBondContact O-N 2.79Å; M38-T41 PolarHBondContact O-OG1 3.05Å; I39-T41 PolarHBondContact O-N 2.92Å; I39-T41 VanDerWaalsContact O-N 3.07Å; T41-P43 VanDerWaalsContact C-CD 3.46Å; T41-P43 WeakPolarHBondContact O-CD 3.43Å
42R96.5Very high96.2Very high69 Ų6962.8 Ų62.826%0.2633%0.334SS..  trans-126.365.9-178-70.8-63.3-55.5-73.2-0.9112.1I39 V40 D44 I45 F47 F70I39-R42 PolarHBondContact O-N 3.32Å; I39-R42 VanDerWaalsContact O-N 3.11Å; V40-R42 VanDerWaalsContact C-N 3.27Å; V40-R42 PolarHBondContact O-N 3.5Å; R42-D44 IonicContact CZ-OD1 3.68Å; R42-D44 IonicContact CZ-OD2 2.75Å; R42-D44 IonicContact NE-OD1 3.62Å; R42-D44 PolarHBondContact NE-OD1 2.83Å; R42-D44 IonicContact NE-OD2 2.63Å; R42-D44 PolarHBondContact NE-OD2 3.39Å; R42-D44 IonicContact NH2-OD1 3.51Å; R42-D44 PolarHBondContact NH2-OD1 2.8Å; R42-D44 IonicContact NH2-OD2 3.75Å; R42-D44 PolarHBondContact NH2-OD2 3.49Å; R42-D44 PolarHBondContact O-N 2.75Å; R42-D44 VanDerWaalsContact O-N 3.1Å; R42-I45 HydrophobicContact CB-CD1 3.98Å; R42-I45 HydrophobicContact CB-CG1 4.28Å; R42-I45 HydrophobicContact CG-CD1 4.41Å; R42-I45 VanDerWaalsContact CZ-CD1 3.49Å; R42-I45 PolarHBondContact O-N 3.48Å; R42-I45 VanDerWaalsContact O-N 3.12Å; R42-F47 HydrophobicContact CB-CE2 4.09Å; R42-F47 HydrophobicContact CB-CZ 4.3Å; R42-F70 HydrophobicContact CB-CZ 4.18Å; R42-F70 HydrophobicContact CG-CE1 4.19Å; R42-F70 HydrophobicContact CG-CZ 3.64Å
43P95.2Very high96.1Very high120 Ų12067.9 Ų67.978%0.77936%0.362SS*.THydrogen-bonded Turntrans-65.9-12-179.229.8-37.3000113.8T41 I45T41-P43 VanDerWaalsContact C-CD 3.46Å; T41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-I45 VanDerWaalsContact C-N 3.27Å
44D95.1Very high96Very high96 Ų9664.9 Ų64.951%0.51335%0.348SS..THydrogen-bonded Turntrans-75-14174.863.5-61.6000113.7R42R42-D44 IonicContact CZ-OD1 3.68Å; R42-D44 IonicContact CZ-OD2 2.75Å; R42-D44 IonicContact NE-OD1 3.62Å; R42-D44 PolarHBondContact NE-OD1 2.83Å; R42-D44 IonicContact NE-OD2 2.63Å; R42-D44 PolarHBondContact NE-OD2 3.39Å; R42-D44 IonicContact NH2-OD1 3.51Å; R42-D44 PolarHBondContact NH2-OD1 2.8Å; R42-D44 IonicContact NH2-OD2 3.75Å; R42-D44 PolarHBondContact NH2-OD2 3.49Å; R42-D44 PolarHBondContact O-N 2.75Å; R42-D44 VanDerWaalsContact O-N 3.1Å
45I96.4Very high96.1Very high9 Ų960.8 Ų60.85%0.04633%0.329CS..SBendtrans-101.3130.8179-56.2177000109.9R42 P43 F47 A74 F77 Q78R42-I45 HydrophobicContact CB-CD1 3.98Å; R42-I45 HydrophobicContact CB-CG1 4.28Å; R42-I45 HydrophobicContact CG-CD1 4.41Å; R42-I45 VanDerWaalsContact CZ-CD1 3.49Å; R42-I45 PolarHBondContact O-N 3.48Å; R42-I45 VanDerWaalsContact O-N 3.12Å; P43-I45 VanDerWaalsContact C-N 3.27Å; I45-F47 HydrophobicContact CB-CD2 3.95Å; I45-F47 HydrophobicContact CB-CE2 3.52Å; I45-F47 HydrophobicContact CB-CZ 3.89Å; I45-F47 HydrophobicContact CD1-CE2 4.26Å; I45-F47 HydrophobicContact CD1-CZ 3.87Å; I45-F47 HydrophobicContact CG1-CE2 4.4Å; I45-F47 HydrophobicContact CG1-CZ 4.47Å; I45-F47 HydrophobicContact CG2-CD1 4.28Å; I45-F47 HydrophobicContact CG2-CD2 3.93Å; I45-F47 HydrophobicContact CG2-CE1 4.08Å; I45-F47 HydrophobicContact CG2-CE2 3.77Å; I45-F47 HydrophobicContact CG2-CG 4.22Å; I45-F47 HydrophobicContact CG2-CZ 3.83Å; I45-F47 VanDerWaalsContact O-CD2 3.3Å; I45-F47 WeakPolarHBondContact O-CD2 3.45Å; I45-F47 PolarHBondContact O-N 3.17Å; I45-F47 VanDerWaalsContact O-N 3.11Å; I45-A74 HydrophobicContact CD1-CB 3.6Å; I45-F77 HydrophobicContact CG2-CB 3.56Å; I45-Q78 HydrophobicContact CB-CG 4.49Å; I45-Q78 HydrophobicContact CD1-CG 3.5Å; I45-Q78 HydrophobicContact CG1-CG 3.57Å; I45-Q78 HydrophobicContact CG2-CG 4.21Å
46G94.4Very high96Very high27 Ų2761.5 Ų61.528%0.27833%0.332SS..  trans-79.985.8171.800000111.2L48 F77G46-L48 PolarHBondContact O-N 3.28Å; G46-F77 WeakPolarHBondContact O-CD1 3.48Å
47F95.8Very high96.1Very high35 Ų3559 Ų5915%0.15432%0.323CS..  trans-75.291.1173.7-63.6-88.3000110.3I39 R42 I45 R49 T50 F70 L73 A74 F77I39-F47 HydrophobicContact CB-CE2 4.5Å; I39-F47 HydrophobicContact CD1-CD1 4.48Å; I39-F47 HydrophobicContact CG1-CD1 4.32Å; I39-F47 HydrophobicContact CG1-CE1 4.26Å; I39-F47 HydrophobicContact CG1-CZ 4.48Å; I39-F47 HydrophobicContact CG2-CB 4.11Å; I39-F47 HydrophobicContact CG2-CD1 4.19Å; I39-F47 HydrophobicContact CG2-CD2 3.48Å; I39-F47 VanDerWaalsContact CG2-CD2 3.48Å; I39-F47 HydrophobicContact CG2-CE1 4.48Å; I39-F47 HydrophobicContact CG2-CE2 3.77Å; I39-F47 HydrophobicContact CG2-CG 3.68Å; I39-F47 HydrophobicContact CG2-CZ 4.29Å; R42-F47 HydrophobicContact CB-CE2 4.09Å; R42-F47 HydrophobicContact CB-CZ 4.3Å; I45-F47 HydrophobicContact CB-CD2 3.95Å; I45-F47 HydrophobicContact CB-CE2 3.52Å; I45-F47 HydrophobicContact CB-CZ 3.89Å; I45-F47 HydrophobicContact CD1-CE2 4.26Å; I45-F47 HydrophobicContact CD1-CZ 3.87Å; I45-F47 HydrophobicContact CG1-CE2 4.4Å; I45-F47 HydrophobicContact CG1-CZ 4.47Å; I45-F47 HydrophobicContact CG2-CD1 4.28Å; I45-F47 HydrophobicContact CG2-CD2 3.93Å; I45-F47 HydrophobicContact CG2-CE1 4.08Å; I45-F47 HydrophobicContact CG2-CE2 3.77Å; I45-F47 HydrophobicContact CG2-CG 4.22Å; I45-F47 HydrophobicContact CG2-CZ 3.83Å; I45-F47 VanDerWaalsContact O-CD2 3.3Å; I45-F47 WeakPolarHBondContact O-CD2 3.45Å; I45-F47 PolarHBondContact O-N 3.17Å; I45-F47 VanDerWaalsContact O-N 3.11Å; F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 2.63Å; F47-T50 HydrophobicContact CB-CG2 4.1Å; F47-F70 HydrophobicContact CE1-CE2 4.44Å; F47-F70 AromaticContact CZ-CE2 3.98Å; F47-F70 HydrophobicContact CZ-CE2 3.98Å; F47-L73 HydrophobicContact CD1-CG 4.34Å; F47-L73 HydrophobicContact CE1-CG 4.17Å; F47-A74 HydrophobicContact CE1-CB 4.42Å; F47-A74 HydrophobicContact CZ-CB 4.3Å; F47-F77 HydrophobicContact CB-CD2 4.39Å; F47-F77 HydrophobicContact CB-CE2 4.32Å; F47-F77 AromaticContact CD1-CD2 3.43Å; F47-F77 HydrophobicContact CD1-CD2 3.43Å; F47-F77 VanDerWaalsContact CD1-CD2 3.43Å; F47-F77 AromaticContact CD1-CE2 3.8Å; F47-F77 HydrophobicContact CD1-CE2 3.8Å; F47-F77 HydrophobicContact CD1-CG 4.31Å; F47-F77 HydrophobicContact CE1-CD2 4.09Å; F47-F77 HydrophobicContact CG-CD2 4.21Å
48L92.9Very high96.2Very high129 Ų12954.7 Ų54.768%0.67530%0.3SS*.  trans-77.2-15.7-174.1-58.1176.5000113.9G46 F77 L325G46-L48 PolarHBondContact O-N 3.28Å; L48-F77 HydrophobicContact CB-CE1 3.94Å; L48-F77 HydrophobicContact CG-CE1 4.45Å; L48-F77 VanDerWaalsContact N-CE1 3.34Å; L48-L325 HydrophobicContact CD1-CD2 4.09Å
49R94.2Very high96.2Very high72 Ų7252.7 Ų52.727%0.27229%0.29SS..  trans-147.2128-177.1-172.4174.6175-179-2.6111.1F47 D51 F54 F77F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 2.63Å; R49-D51 WeakPolarHBondContact CD-OD2 3.4Å; R49-D51 WeakPolarHBondContact CG-OD2 3.37Å; R49-D51 IonicContact CZ-OD1 2.71Å; R49-D51 IonicContact CZ-OD2 3.85Å; R49-D51 IonicContact NE-OD1 3.87Å; R49-D51 IonicContact NE-OD2 2.76Å; R49-D51 PolarHBondContact NE-OD2 3.08Å; R49-D51 IonicContact NH2-OD1 4Å; R49-D51 PolarHBondContact NH2-OD1 3.3Å; R49-D51 IonicContact NH2-OD2 3.18Å; R49-F54 HydrophobicContact CB-CD1 4.11Å; R49-F54 HydrophobicContact CB-CE1 4.18Å; R49-F54 HydrophobicContact CB-CG 4.32Å; R49-F54 HydrophobicContact CB-CZ 4.46Å; R49-F54 HydrophobicContact CG-CB 3.95Å; R49-F54 HydrophobicContact CG-CD1 3.94Å; R49-F54 HydrophobicContact CG-CD2 4.05Å; R49-F54 HydrophobicContact CG-CE1 4.45Å; R49-F54 HydrophobicContact CG-CG 3.71Å; R49-F54 WeakPolarHBondContact O-CD1 3.22Å; R49-F54 VanDerWaalsContact O-CE1 3.25Å; R49-F54 WeakPolarHBondContact O-CE1 3.38Å; R49-F77 HydrophobicContact CB-CZ 4.22Å; R49-F77 WeakPolarHBondContact O-CZ 3.27Å
50T95.7Very high96.3Very high50 Ų5052 Ų5231%0.30729%0.286SS..  trans-148.421.6-174.264.50000113.5R36 I39 F47 I55R36-T50 PolarHBondContact NH2-O 3.1Å; I39-T50 HydrophobicContact CD1-CG2 3.62Å; F47-T50 HydrophobicContact CB-CG2 4.1Å; T50-I55 WeakPolarHBondContact O-CD1 3.48Å
51D96.4Very high96.5Very high61 Ų6146.6 Ų46.633%0.32625%0.254SS..  trans-63.7159.1170.754107.2000111.5R49 D53 F54 I55R49-D51 WeakPolarHBondContact CD-OD2 3.4Å; R49-D51 WeakPolarHBondContact CG-OD2 3.37Å; R49-D51 IonicContact CZ-OD1 2.71Å; R49-D51 IonicContact CZ-OD2 3.85Å; R49-D51 IonicContact NE-OD1 3.87Å; R49-D51 IonicContact NE-OD2 2.76Å; R49-D51 PolarHBondContact NE-OD2 3.08Å; R49-D51 IonicContact NH2-OD1 4Å; R49-D51 PolarHBondContact NH2-OD1 3.3Å; R49-D51 IonicContact NH2-OD2 3.18Å; D51-D53 VanDerWaalsContact C-N 3.34Å; D51-D53 PolarHBondContact O-N 3.29Å; D51-F54 PolarHBondContact O-N 2.94Å; D51-F54 VanDerWaalsContact O-N 3.14Å; D51-F54 WeakPolarHBondContact OD1-CB 3.31Å; D51-F54 PolarHBondContact OD1-N 3.23Å; D51-F54 VanDerWaalsContact OD1-N 3.15Å; D51-F54 WeakPolarHBondContact OD2-CB 3.46Å; D51-I55 PolarHBondContact O-N 3.46Å
52D96.8Very high96.6Very high65 Ų6544.4 Ų44.435%0.34824%0.235SC..Hα-helixtrans-57-45.7-174.8-74.29.4000111.7I32 R36 F54 I55 L56I32-D52 HydrophobicContact CD1-CB 3.88Å; I32-D52 HydrophobicContact CG2-CB 4.49Å; I32-D52 WeakPolarHBondContact CG2-OD1 3.33Å; R36-D52 IonicContact CZ-OD1 3.82Å; R36-D52 IonicContact NH1-OD1 3.87Å; R36-D52 IonicContact NH2-OD1 2.66Å; R36-D52 PolarHBondContact NH2-OD1 2.85Å; D52-F54 VanDerWaalsContact C-N 3.32Å; D52-F54 PolarHBondContact O-N 3.34Å; D52-I55 PolarHBondContact O-N 3.46Å; D52-L56 VanDerWaalsContact O-CB 3.26Å; D52-L56 WeakPolarHBondContact O-CB 3.36Å; D52-L56 PolarHBondContact O-N 2.92Å
53D95.1Very high96.7Very high113 Ų11345.9 Ų45.960%0.60424%0.243SC*.Hα-helixtrans-62.7-38.7178.5-70.5-23.5000112.2D51 R57D51-D53 VanDerWaalsContact C-N 3.34Å; D51-D53 PolarHBondContact O-N 3.29Å; D53-R57 WeakPolarHBondContact O-CG 3.2Å
54F97.3Very high96.8Very high3 Ų340.9 Ų40.91%0.01321%0.209CC..Hα-helixtrans-66.9-49.1176.7-173.6-106.3000111.8R49 D51 D52 L56 R57 F58 L73 Y76 F77R49-F54 HydrophobicContact CB-CD1 4.11Å; R49-F54 HydrophobicContact CB-CE1 4.18Å; R49-F54 HydrophobicContact CB-CG 4.32Å; R49-F54 HydrophobicContact CB-CZ 4.46Å; R49-F54 HydrophobicContact CG-CB 3.95Å; R49-F54 HydrophobicContact CG-CD1 3.94Å; R49-F54 HydrophobicContact CG-CD2 4.05Å; R49-F54 HydrophobicContact CG-CE1 4.45Å; R49-F54 HydrophobicContact CG-CG 3.71Å; R49-F54 WeakPolarHBondContact O-CD1 3.22Å; R49-F54 VanDerWaalsContact O-CE1 3.25Å; R49-F54 WeakPolarHBondContact O-CE1 3.38Å; D51-F54 PolarHBondContact O-N 2.94Å; D51-F54 VanDerWaalsContact O-N 3.14Å; D51-F54 WeakPolarHBondContact OD1-CB 3.31Å; D51-F54 PolarHBondContact OD1-N 3.23Å; D51-F54 VanDerWaalsContact OD1-N 3.15Å; D51-F54 WeakPolarHBondContact OD2-CB 3.46Å; D52-F54 VanDerWaalsContact C-N 3.32Å; D52-F54 PolarHBondContact O-N 3.34Å; F54-L56 VanDerWaalsContact C-N 3.28Å; F54-L56 PolarHBondContact O-N 3.41Å; F54-R57 WeakPolarHBondContact O-CB 3.46Å; F54-R57 PolarHBondContact O-N 3.46Å; F54-F58 AromaticContact CD1-CE2 4Å; F54-F58 HydrophobicContact CD1-CE2 4Å; F54-F58 HydrophobicContact CD2-CE2 4.39Å; F54-F58 HydrophobicContact CE1-CD2 4.5Å; F54-F58 AromaticContact CE1-CE2 3.56Å; F54-F58 HydrophobicContact CE1-CE2 3.56Å; F54-F58 HydrophobicContact CE1-CZ 4.08Å; F54-F58 AromaticContact CE2-CE2 3.98Å; F54-F58 HydrophobicContact CE2-CE2 3.98Å; F54-F58 HydrophobicContact CE2-CZ 4.43Å; F54-F58 HydrophobicContact CG-CE2 4.4Å; F54-F58 AromaticContact CZ-CE2 3.54Å; F54-F58 HydrophobicContact CZ-CE2 3.54Å; F54-F58 AromaticContact CZ-CZ 3.81Å; F54-F58 HydrophobicContact CZ-CZ 3.81Å; F54-F58 WeakPolarHBondContact O-CD2 3.34Å; F54-L73 HydrophobicContact CD1-CD1 4.32Å; F54-L73 HydrophobicContact CE1-CD1 3.66Å; F54-Y76 HydrophobicContact CE2-CE1 4.37Å; F54-Y76 HydrophobicContact CZ-CD1 4.16Å; F54-Y76 AromaticContact CZ-CE1 3.64Å; F54-Y76 HydrophobicContact CZ-CE1 3.64Å; F54-Y76 AromaticContact CZ-CZ 3.82Å; F54-F77 AromaticContact CE1-CE2 3.77Å; F54-F77 HydrophobicContact CE1-CE2 3.77Å; F54-F77 AromaticContact CE1-CZ 3.65Å; F54-F77 HydrophobicContact CE1-CZ 3.65Å; F54-F77 HydrophobicContact CZ-CE2 4.26Å; F54-F77 AromaticContact CZ-CZ 3.91Å; F54-F77 HydrophobicContact CZ-CZ 3.91Å
55I98.3Very high97Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-62.1-37.7178.6-68.6174.7000111I32 V35 R36 T50 D51 D52 R57 F58 L59I32-I55 HydrophobicContact CB-CG2 4.45Å; I32-I55 HydrophobicContact CG1-CG2 4.3Å; I32-I55 HydrophobicContact CG2-CB 4.26Å; I32-I55 HydrophobicContact CG2-CD1 4.05Å; I32-I55 HydrophobicContact CG2-CG2 4.11Å; V35-I55 HydrophobicContact CB-CG2 3.97Å; V35-I55 HydrophobicContact CG1-CG2 3.96Å; V35-I55 HydrophobicContact CG2-CG2 4.39Å; R36-I55 HydrophobicContact CB-CD1 4.5Å; T50-I55 WeakPolarHBondContact O-CD1 3.48Å; D51-I55 PolarHBondContact O-N 3.46Å; D52-I55 PolarHBondContact O-N 3.46Å; I55-R57 PolarHBondContact O-N 3.36Å; I55-F58 WeakPolarHBondContact O-CB 3.46Å; I55-F58 PolarHBondContact O-N 2.63Å; I55-L59 HydrophobicContact CG2-CD1 4.14Å; I55-L59 HydrophobicContact CG2-CG 4.38Å; I55-L59 PolarHBondContact O-N 3.06Å; I55-L59 VanDerWaalsContact O-N 3.09Å
56L98Very high97.1Very high14 Ų1441.6 Ų41.67%0.07321%0.212CC..Hα-helixtrans-58.3-33.9179.3-177.451.5000113L28 D52 F54 F58 L59 R60 F64L28-L56 HydrophobicContact CD1-CD1 3.69Å; D52-L56 VanDerWaalsContact O-CB 3.26Å; D52-L56 WeakPolarHBondContact O-CB 3.36Å; D52-L56 PolarHBondContact O-N 2.92Å; F54-L56 VanDerWaalsContact C-N 3.28Å; F54-L56 PolarHBondContact O-N 3.41Å; L56-F58 PolarHBondContact O-N 3.3Å; L56-L59 HydrophobicContact CD1-CB 4.4Å; L56-L59 PolarHBondContact O-N 3.07Å; L56-R60 HydrophobicContact CD1-CG 4.03Å; L56-R60 HydrophobicContact CG-CG 4.47Å; L56-R60 WeakPolarHBondContact O-CB 3.49Å; L56-R60 WeakPolarHBondContact O-CG 3.38Å; L56-R60 PolarHBondContact O-N 3.43Å; L56-F64 HydrophobicContact CD1-CE1 4.47Å; L56-F64 HydrophobicContact CD1-CZ 3.79Å
57R98.2Very high97.2Very high11 Ų1145 Ų454%0.04223%0.227CC..Hα-helixtrans-54.5-43.7173.2-60.5164-169.3-161-3.6111D53 F54 I55 A61 E150 Q155 P193D53-R57 WeakPolarHBondContact O-CG 3.2Å; F54-R57 WeakPolarHBondContact O-CB 3.46Å; F54-R57 PolarHBondContact O-N 3.46Å; I55-R57 PolarHBondContact O-N 3.36Å; R57-A61 VanDerWaalsContact O-CB 3.29Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 3.22Å; R57-E150 IonicContact NH2-OE1 3.73Å; R57-Q155 HydrophobicContact CG-CG 4.33Å; R57-P193 HydrophobicContact CB-CB 4.24Å; R57-P193 HydrophobicContact CB-CG 4.15Å
58F98.8Very high97.4Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-75-41.5-177.8-63-97.5000111.9F54 I55 L56 R60 A61 R62 T69 L72 L73 Y76 P193F54-F58 AromaticContact CD1-CE2 4Å; F54-F58 HydrophobicContact CD1-CE2 4Å; F54-F58 HydrophobicContact CD2-CE2 4.39Å; F54-F58 HydrophobicContact CE1-CD2 4.5Å; F54-F58 AromaticContact CE1-CE2 3.56Å; F54-F58 HydrophobicContact CE1-CE2 3.56Å; F54-F58 HydrophobicContact CE1-CZ 4.08Å; F54-F58 AromaticContact CE2-CE2 3.98Å; F54-F58 HydrophobicContact CE2-CE2 3.98Å; F54-F58 HydrophobicContact CE2-CZ 4.43Å; F54-F58 HydrophobicContact CG-CE2 4.4Å; F54-F58 AromaticContact CZ-CE2 3.54Å; F54-F58 HydrophobicContact CZ-CE2 3.54Å; F54-F58 AromaticContact CZ-CZ 3.81Å; F54-F58 HydrophobicContact CZ-CZ 3.81Å; F54-F58 WeakPolarHBondContact O-CD2 3.34Å; I55-F58 WeakPolarHBondContact O-CB 3.46Å; I55-F58 PolarHBondContact O-N 2.63Å; L56-F58 PolarHBondContact O-N 3.3Å; F58-R60 PolarHBondContact O-N 2.92Å; F58-A61 WeakPolarHBondContact O-CB 3.42Å; F58-A61 PolarHBondContact O-N 3.15Å; F58-R62 PolarHBondContact O-N 3.3Å; F58-T69 HydrophobicContact CB-CG2 3.67Å; F58-L72 HydrophobicContact CD1-CB 4.14Å; F58-L72 HydrophobicContact CD1-CD2 3.81Å; F58-L72 HydrophobicContact CD1-CG 3.66Å; F58-L72 HydrophobicContact CE1-CD2 4.44Å; F58-L72 HydrophobicContact CE1-CG 4.04Å; F58-L73 HydrophobicContact CD1-CB 3.92Å; F58-L73 HydrophobicContact CD1-CD1 4.15Å; F58-L73 HydrophobicContact CD2-CD1 3.83Å; F58-L73 HydrophobicContact CE1-CB 4.25Å; F58-L73 HydrophobicContact CE1-CD1 3.96Å; F58-L73 HydrophobicContact CE2-CD1 3.61Å; F58-L73 HydrophobicContact CG-CB 4.21Å; F58-L73 HydrophobicContact CG-CD1 4.12Å; F58-L73 HydrophobicContact CZ-CD1 3.68Å; F58-Y76 HydrophobicContact CE1-CD2 4.02Å; F58-Y76 AromaticContact CE1-CG 3.96Å; F58-Y76 HydrophobicContact CE1-CG 3.96Å; F58-Y76 HydrophobicContact CZ-CD1 4.19Å; F58-Y76 AromaticContact CZ-CD2 3.68Å; F58-Y76 HydrophobicContact CZ-CD2 3.68Å; F58-Y76 HydrophobicContact CZ-CE2 4.19Å; F58-Y76 AromaticContact CZ-CG 3.71Å; F58-Y76 HydrophobicContact CZ-CG 3.71Å; F58-P193 HydrophobicContact CD1-CB 4.04Å; F58-P193 HydrophobicContact CD1-CG 4.38Å; F58-P193 HydrophobicContact CE1-CB 4.11Å; F58-P193 HydrophobicContact CE1-CG 3.98Å; F58-P193 HydrophobicContact CE2-CG 4.14Å; F58-P193 HydrophobicContact CG-CB 4.24Å; F58-P193 HydrophobicContact CZ-CB 4.39Å; F58-P193 HydrophobicContact CZ-CG 3.85Å
59L98.7Very high97.6Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-56.5-50.8174.1-77.7168.4000110.5D31 I32 V35 I55 L56 A61 R62 K63 F64 T69D31-L59 HydrophobicContact CB-CD1 4.2Å; D31-L59 HydrophobicContact CB-CD2 4.47Å; I32-L59 HydrophobicContact CG1-CD1 3.67Å; V35-L59 HydrophobicContact CG2-CD2 3.9Å; V35-L59 HydrophobicContact CG2-CG 4.39Å; I55-L59 HydrophobicContact CG2-CD1 4.14Å; I55-L59 HydrophobicContact CG2-CG 4.38Å; I55-L59 PolarHBondContact O-N 3.06Å; I55-L59 VanDerWaalsContact O-N 3.09Å; L56-L59 HydrophobicContact CD1-CB 4.4Å; L56-L59 PolarHBondContact O-N 3.07Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-A61 PolarHBondContact O-N 3.46Å; L59-R62 CarbonylContact O-C 3.52Å; L59-R62 PolarHBondContact O-N 2.64Å; L59-R62 VanDerWaalsContact O-N 3.09Å; L59-K63 PolarHBondContact O-N 2.6Å; L59-F64 HydrophobicContact CB-CD1 4.27Å; L59-F64 HydrophobicContact CB-CD2 4.37Å; L59-F64 HydrophobicContact CB-CE1 4.18Å; L59-F64 HydrophobicContact CB-CE2 4.28Å; L59-F64 HydrophobicContact CB-CG 4.35Å; L59-F64 HydrophobicContact CB-CZ 4.17Å; L59-F64 HydrophobicContact CD1-CD1 4.48Å; L59-F64 HydrophobicContact CD1-CE1 4.22Å; L59-F64 HydrophobicContact CD2-CD1 4.25Å; L59-F64 PolarHBondContact O-N 3.2Å; L59-T69 HydrophobicContact CD2-CG2 3.89Å; L59-T69 HydrophobicContact CG-CG2 3.94Å
60R98.4Very high97.8Very high8 Ų838.2 Ų38.23%0.0320%0.195CC..Hα-helixtrans-60.2-42.3175.8-75.2172.2171.91621.8112.1L21 E23 L56 F58 R62 K63 F64 Q155L21-R60 HydrophobicContact CD1-CB 4.05Å; L21-R60 HydrophobicContact CD1-CG 4.12Å; E23-R60 IonicContact OE1-CZ 3.24Å; E23-R60 IonicContact OE1-NE 3.5Å; E23-R60 PolarHBondContact OE1-NE 2.83Å; E23-R60 IonicContact OE1-NH2 3.63Å; E23-R60 PolarHBondContact OE1-NH2 2.92Å; E23-R60 WeakPolarHBondContact OE2-CG 3.42Å; E23-R60 IonicContact OE2-CZ 3.93Å; E23-R60 IonicContact OE2-NE 2.69Å; E23-R60 PolarHBondContact OE2-NE 3.04Å; E23-R60 IonicContact OE2-NH2 2.68Å; E23-R60 PolarHBondContact OE2-NH2 2.83Å; L56-R60 HydrophobicContact CD1-CG 4.03Å; L56-R60 HydrophobicContact CG-CG 4.47Å; L56-R60 WeakPolarHBondContact O-CB 3.49Å; L56-R60 WeakPolarHBondContact O-CG 3.38Å; L56-R60 PolarHBondContact O-N 3.43Å; F58-R60 PolarHBondContact O-N 2.92Å; R60-R62 PolarHBondContact O-N 3.34Å; R60-K63 PolarHBondContact O-N 3.2Å; R60-F64 HydrophobicContact CG-CE2 4.01Å; R60-Q155 HydrophobicContact CB-CB 4.45Å
61A98.1Very high98Very high5 Ų540.4 Ų40.44%0.04120%0.197CC..Hα-helixtrans-62.8-22.9177.100000113.8R57 F58 L59 L72 P193R57-A61 VanDerWaalsContact O-CB 3.29Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 3.22Å; F58-A61 WeakPolarHBondContact O-CB 3.42Å; F58-A61 PolarHBondContact O-N 3.15Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-A61 PolarHBondContact O-N 3.46Å; A61-L72 HydrophobicContact CB-CD2 3.9Å; A61-P193 HydrophobicContact CB-CB 3.88Å; A61-P193 WeakPolarHBondContact CB-O 3.48Å
62R98.2Very high98.1Very high46 Ų4637.5 Ų37.517%0.17418%0.182CC..THydrogen-bonded Turntrans-119.317.5-177.9-64.1-62.7179.8-94.61.5114F58 L59 R60 F64 D65 E68 T69 L72F58-R62 PolarHBondContact O-N 3.3Å; L59-R62 CarbonylContact O-C 3.52Å; L59-R62 PolarHBondContact O-N 2.64Å; L59-R62 VanDerWaalsContact O-N 3.09Å; R60-R62 PolarHBondContact O-N 3.34Å; R62-F64 PolarHBondContact O-N 3.11Å; R62-D65 WeakPolarHBondContact O-CB 3.45Å; R62-D65 PolarHBondContact O-N 3.44Å; R62-D65 VanDerWaalsContact O-N 3.14Å; R62-E68 HydrophobicContact CB-CB 4.24Å; R62-E68 HydrophobicContact CG-CB 4.19Å; R62-T69 WeakPolarHBondContact CB-OG1 3.45Å; R62-L72 HydrophobicContact CG-CB 4.39Å; R62-L72 HydrophobicContact CG-CD2 4.15Å; R62-L72 VanDerWaalsContact NH2-CD2 3.33Å
63K97.9Very high98.2Very high100 Ų10034.4 Ų34.444%0.43517%0.165SC..THydrogen-bonded Turntrans54.839.6175.1-52.3-175.7167.3-152.60113E20 L21 N22 L59 R60 D65E20-K63 WeakPolarHBondContact O-CD 3.35Å; E20-K63 WeakPolarHBondContact O-CE 3.47Å; E20-K63 PolarHBondContact O-NZ 3.01Å; L21-K63 HydrophobicContact CD2-CG 4.15Å; L21-K63 CarbonylContact O-C 2.96Å; L21-K63 WeakPolarHBondContact O-CA 3.17Å; L21-K63 VanDerWaalsContact O-O 3.05Å; N22-K63 PolarHBondContact ND2-O 3.02Å; L59-K63 PolarHBondContact O-N 2.6Å; R60-K63 PolarHBondContact O-N 3.2Å; K63-D65 PolarHBondContact O-N 3.49Å; K63-D65 VanDerWaalsContact O-N 3.15Å
64F98.2Very high98.3Very high15 Ų1529.1 Ų29.17%0.06614%0.138CC..THydrogen-bonded Turntrans60.221.3179.9-71.8-111.2000114L21 E23 L28 D31 L56 L59 R60 R62 H66L21-F64 HydrophobicContact CB-CD2 4.46Å; L21-F64 VanDerWaalsContact O-CD2 3.23Å; L21-F64 WeakPolarHBondContact O-CD2 3.23Å; E23-F64 HydrophobicContact CB-CD2 4.2Å; E23-F64 HydrophobicContact CB-CE2 3.46Å; E23-F64 VanDerWaalsContact CB-CE2 3.46Å; E23-F64 HydrophobicContact CB-CZ 3.66Å; E23-F64 HydrophobicContact CG-CE1 4.25Å; E23-F64 HydrophobicContact CG-CE2 3.76Å; E23-F64 HydrophobicContact CG-CZ 3.42Å; E23-F64 VanDerWaalsContact CG-CZ 3.42Å; L28-F64 HydrophobicContact CD1-CE1 3.88Å; L28-F64 HydrophobicContact CD1-CZ 4.2Å; D31-F64 HydrophobicContact CB-CD1 4.15Å; D31-F64 HydrophobicContact CB-CE1 4.43Å; L56-F64 HydrophobicContact CD1-CE1 4.47Å; L56-F64 HydrophobicContact CD1-CZ 3.79Å; L59-F64 HydrophobicContact CB-CD1 4.27Å; L59-F64 HydrophobicContact CB-CD2 4.37Å; L59-F64 HydrophobicContact CB-CE1 4.18Å; L59-F64 HydrophobicContact CB-CE2 4.28Å; L59-F64 HydrophobicContact CB-CG 4.35Å; L59-F64 HydrophobicContact CB-CZ 4.17Å; L59-F64 HydrophobicContact CD1-CD1 4.48Å; L59-F64 HydrophobicContact CD1-CE1 4.22Å; L59-F64 HydrophobicContact CD2-CD1 4.25Å; L59-F64 PolarHBondContact O-N 3.2Å; R60-F64 HydrophobicContact CG-CE2 4.01Å; R62-F64 PolarHBondContact O-N 3.11Å; F64-H66 PolarHBondContact O-CE1 2.94Å; F64-H66 PolarHBondContact O-N 3.29Å; F64-H66 PolarHBondContact O-ND1 2.92Å
65D98.5Very high98.4Very high78 Ų7831 Ų3142%0.41715%0.146SC..  trans-76.1106.4164.2-175.8-64000108.7R62 K63 V67 E68 T69R62-D65 WeakPolarHBondContact O-CB 3.45Å; R62-D65 PolarHBondContact O-N 3.44Å; R62-D65 VanDerWaalsContact O-N 3.14Å; K63-D65 PolarHBondContact O-N 3.49Å; K63-D65 VanDerWaalsContact O-N 3.15Å; D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.09Å; D65-V67 PolarHBondContact OD1-N 2.96Å; D65-E68 HydrophobicContact CB-CB 4.23Å; D65-E68 PolarHBondContact O-N 3.22Å; D65-E68 WeakPolarHBondContact OD1-CB 3.42Å; D65-E68 PolarHBondContact OD1-N 3.43Å; D65-T69 WeakPolarHBondContact O-CB 3.45Å; D65-T69 PolarHBondContact O-N 3.32Å; D65-T69 PolarHBondContact O-OG1 3.38Å
66H98.4Very high98.4Very high42 Ų4231.7 Ų31.719%0.19415%0.149CC..Hα-helixtrans-63.2-37.4-171.7-49.282.5000112.5D31 V35 M38 F64 T69 F70D31-H66 IonicContact OD1-CD2 2.62Å; D31-H66 IonicContact OD1-CE1 3.45Å; D31-H66 PolarHBondContact OD1-CE1 3.18Å; D31-H66 IonicContact OD1-NE2 2.78Å; D31-H66 PolarHBondContact OD1-NE2 3.46Å; V35-H66 HydrophobicContact CG2-CB 4.48Å; M38-H66 HydrophobicContact CE-CB 3.67Å; M38-H66 VanDerWaalsContact CE-O 3.23Å; M38-H66 WeakPolarHBondContact CE-O 3.36Å; F64-H66 PolarHBondContact O-CE1 2.94Å; F64-H66 PolarHBondContact O-N 3.29Å; F64-H66 PolarHBondContact O-ND1 2.92Å; H66-T69 WeakPolarHBondContact O-CB 3.17Å; H66-T69 PolarHBondContact O-N 3.24Å; H66-F70 WeakPolarHBondContact O-CB 3.32Å; H66-F70 PolarHBondContact O-N 2.92Å
67V98.4Very high98.4Very high97 Ų9731.4 Ų31.459%0.58815%0.147SC*.Hα-helixtrans-68.9-48.4-178.31770000110.4D65 T69 F70 R71D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.09Å; D65-V67 PolarHBondContact OD1-N 2.96Å; V67-T69 VanDerWaalsContact C-N 3.29Å; V67-T69 PolarHBondContact O-N 2.81Å; V67-F70 PolarHBondContact O-N 2.78Å; V67-R71 WeakPolarHBondContact O-CB 3.46Å; V67-R71 PolarHBondContact O-N 3.45Å
68E98.4Very high98.4Very high68 Ų6832.8 Ų32.832%0.31815%0.154SC..Hα-helixtrans-68.6-31.1176.6-77.4-61124.300112.4R62 D65 R71 L72R62-E68 HydrophobicContact CB-CB 4.24Å; R62-E68 HydrophobicContact CG-CB 4.19Å; D65-E68 HydrophobicContact CB-CB 4.23Å; D65-E68 PolarHBondContact O-N 3.22Å; D65-E68 WeakPolarHBondContact OD1-CB 3.42Å; D65-E68 PolarHBondContact OD1-N 3.43Å; E68-R71 PolarHBondContact O-N 3.4Å; E68-R71 IonicContact OE1-NE 3.59Å; E68-R71 PolarHBondContact OE1-NE 2.91Å; E68-R71 IonicContact OE2-CZ 3.63Å; E68-R71 IonicContact OE2-NE 2.94Å; E68-R71 PolarHBondContact OE2-NE 3.48Å; E68-R71 IonicContact OE2-NH2 2.79Å; E68-R71 PolarHBondContact OE2-NH2 3.11Å; E68-L72 PolarHBondContact O-N 3.27Å
69T98.7Very high98.4Very high0 Ų032.9 Ų32.90%016%0.155CC..Hα-helixtrans-59.9-53.7171.5-64.50000110.3V35 F58 L59 R62 D65 H66 V67 R71 L72 L73V35-T69 HydrophobicContact CG1-CG2 4.08Å; V35-T69 HydrophobicContact CG2-CG2 3.69Å; F58-T69 HydrophobicContact CB-CG2 3.67Å; L59-T69 HydrophobicContact CD2-CG2 3.89Å; L59-T69 HydrophobicContact CG-CG2 3.94Å; R62-T69 WeakPolarHBondContact CB-OG1 3.45Å; D65-T69 WeakPolarHBondContact O-CB 3.45Å; D65-T69 PolarHBondContact O-N 3.32Å; D65-T69 PolarHBondContact O-OG1 3.38Å; H66-T69 WeakPolarHBondContact O-CB 3.17Å; H66-T69 PolarHBondContact O-N 3.24Å; V67-T69 VanDerWaalsContact C-N 3.29Å; V67-T69 PolarHBondContact O-N 2.81Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 2.71Å; T69-L72 PolarHBondContact O-N 2.52Å; T69-L73 WeakPolarHBondContact O-CB 3.48Å; T69-L73 PolarHBondContact O-N 3.25Å
70F98.6Very high98.3Very high27 Ų2734.1 Ų34.112%0.11816%0.159CC..Hα-helixtrans-60.4-42177.4173.8-115.3000111.7M38 I39 R42 F47 H66 V67 L72 L73 A74M38-F70 HydrophobicContact CB-CB 4.13Å; M38-F70 HydrophobicContact CB-CD1 3.91Å; M38-F70 HydrophobicContact CB-CD2 3.64Å; M38-F70 HydrophobicContact CB-CE1 4.2Å; M38-F70 HydrophobicContact CB-CE2 3.98Å; M38-F70 HydrophobicContact CB-CG 3.6Å; M38-F70 HydrophobicContact CB-CZ 4.22Å; M38-F70 HydrophobicContact CE-CB 3.87Å; M38-F70 HydrophobicContact CG-CG 4.46Å; M38-F70 WeakPolarHBondContact O-CE2 3.36Å; M38-F70 WeakPolarHBondContact O-CZ 3.26Å; M38-F70 HydrophobicContact SD-CB 3.86Å; M38-F70 HydrophobicContact SD-CD1 4.22Å; M38-F70 HydrophobicContact SD-CG 4.13Å; I39-F70 HydrophobicContact CG1-CD2 4.45Å; I39-F70 HydrophobicContact CG1-CE2 4.27Å; R42-F70 HydrophobicContact CB-CZ 4.18Å; R42-F70 HydrophobicContact CG-CE1 4.19Å; R42-F70 HydrophobicContact CG-CZ 3.64Å; F47-F70 HydrophobicContact CE1-CE2 4.44Å; F47-F70 AromaticContact CZ-CE2 3.98Å; F47-F70 HydrophobicContact CZ-CE2 3.98Å; H66-F70 WeakPolarHBondContact O-CB 3.32Å; H66-F70 PolarHBondContact O-N 2.92Å; V67-F70 PolarHBondContact O-N 2.78Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 2.95Å; F70-L73 PolarHBondContact O-N 2.9Å; F70-A74 HydrophobicContact CE2-CB 4.49Å; F70-A74 WeakPolarHBondContact O-CB 3.5Å; F70-A74 PolarHBondContact O-N 3.35Å
71R98.5Very high98.2Very high95 Ų9537.6 Ų37.636%0.35818%0.176SC..Hα-helixtrans-58.9-42.7176.7-165.3-176.570.2679.8112.1V67 E68 T69 Q75V67-R71 WeakPolarHBondContact O-CB 3.46Å; V67-R71 PolarHBondContact O-N 3.45Å; E68-R71 PolarHBondContact O-N 3.4Å; E68-R71 IonicContact OE1-NE 3.59Å; E68-R71 PolarHBondContact OE1-NE 2.91Å; E68-R71 IonicContact OE2-CZ 3.63Å; E68-R71 IonicContact OE2-NE 2.94Å; E68-R71 PolarHBondContact OE2-NE 3.48Å; E68-R71 IonicContact OE2-NH2 2.79Å; E68-R71 PolarHBondContact OE2-NH2 3.11Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 2.71Å; R71-Q75 VanDerWaalsContact O-CB 3.29Å; R71-Q75 WeakPolarHBondContact O-CB 2.93Å; R71-Q75 PolarHBondContact O-N 3.26Å
72L98.7Very high98.1Very high0 Ų043.3 Ų43.30%020%0.202CC..Hα-helixtrans-68.1-42.9175.9-179.658.5000112F58 A61 R62 E68 T69 F70 Q75 Y76 D190 P193F58-L72 HydrophobicContact CD1-CB 4.14Å; F58-L72 HydrophobicContact CD1-CD2 3.81Å; F58-L72 HydrophobicContact CD1-CG 3.66Å; F58-L72 HydrophobicContact CE1-CD2 4.44Å; F58-L72 HydrophobicContact CE1-CG 4.04Å; A61-L72 HydrophobicContact CB-CD2 3.9Å; R62-L72 HydrophobicContact CG-CB 4.39Å; R62-L72 HydrophobicContact CG-CD2 4.15Å; R62-L72 VanDerWaalsContact NH2-CD2 3.33Å; E68-L72 PolarHBondContact O-N 3.27Å; T69-L72 PolarHBondContact O-N 2.52Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 2.95Å; L72-Q75 PolarHBondContact O-N 2.98Å; L72-Y76 WeakPolarHBondContact O-CB 3.13Å; L72-Y76 PolarHBondContact O-N 3.2Å; L72-D190 WeakPolarHBondContact CD1-O 3.35Å; L72-P193 HydrophobicContact CD2-CB 4.12Å
73L98.7Very high98Very high0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-61.8-46178.5-179.663.2000111.7V35 I39 F47 F54 F58 T69 F70 Y76 F77V35-L73 HydrophobicContact CG1-CD2 3.89Å; I39-L73 HydrophobicContact CD1-CD2 3.8Å; I39-L73 HydrophobicContact CG1-CD2 4.13Å; F47-L73 HydrophobicContact CD1-CG 4.34Å; F47-L73 HydrophobicContact CE1-CG 4.17Å; F54-L73 HydrophobicContact CD1-CD1 4.32Å; F54-L73 HydrophobicContact CE1-CD1 3.66Å; F58-L73 HydrophobicContact CD1-CB 3.92Å; F58-L73 HydrophobicContact CD1-CD1 4.15Å; F58-L73 HydrophobicContact CD2-CD1 3.83Å; F58-L73 HydrophobicContact CE1-CB 4.25Å; F58-L73 HydrophobicContact CE1-CD1 3.96Å; F58-L73 HydrophobicContact CE2-CD1 3.61Å; F58-L73 HydrophobicContact CG-CB 4.21Å; F58-L73 HydrophobicContact CG-CD1 4.12Å; F58-L73 HydrophobicContact CZ-CD1 3.68Å; T69-L73 WeakPolarHBondContact O-CB 3.48Å; T69-L73 PolarHBondContact O-N 3.25Å; F70-L73 PolarHBondContact O-N 2.9Å; L73-Y76 WeakPolarHBondContact O-CB 3.26Å; L73-Y76 PolarHBondContact O-N 3.09Å; L73-F77 HydrophobicContact CD1-CD2 4.19Å; L73-F77 HydrophobicContact CD1-CE2 3.72Å; L73-F77 HydrophobicContact CG-CE2 4.42Å; L73-F77 WeakPolarHBondContact O-CD2 3.5Å; L73-F77 PolarHBondContact O-N 2.85Å
74A98.5Very high97.8Very high3 Ų343.8 Ų43.83%0.02521%0.212CC..Hα-helixtrans-59.5-48.8174.100000111.1I45 F47 F70 Y76 F77 Q78I45-A74 HydrophobicContact CD1-CB 3.6Å; F47-A74 HydrophobicContact CE1-CB 4.42Å; F47-A74 HydrophobicContact CZ-CB 4.3Å; F70-A74 HydrophobicContact CE2-CB 4.49Å; F70-A74 WeakPolarHBondContact O-CB 3.5Å; F70-A74 PolarHBondContact O-N 3.35Å; A74-Y76 VanDerWaalsContact C-N 3.31Å; A74-Y76 PolarHBondContact O-N 3.38Å; A74-F77 PolarHBondContact O-N 2.94Å; A74-Q78 WeakPolarHBondContact O-CB 3.24Å; A74-Q78 VanDerWaalsContact O-CG 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.03Å; A74-Q78 PolarHBondContact O-N 3.49Å
75Q98.4Very high97.5Very high41 Ų4149.6 Ų49.619%0.19224%0.244CC..Hα-helixtrans-61.7-37.2178.9-175.763.650.500112.3R71 L72 F77 Q78 F79 E186 D190 S191R71-Q75 VanDerWaalsContact O-CB 3.29Å; R71-Q75 WeakPolarHBondContact O-CB 2.93Å; R71-Q75 PolarHBondContact O-N 3.26Å; L72-Q75 PolarHBondContact O-N 2.98Å; Q75-F77 PolarHBondContact O-N 3.16Å; Q75-Q78 PolarHBondContact O-N 3.5Å; Q75-F79 WeakPolarHBondContact O-CB 3.37Å; Q75-F79 PolarHBondContact O-N 2.79Å; Q75-E186 PolarHBondContact NE2-OE1 3.18Å; Q75-D190 HydrophobicContact CG-CB 4.5Å; Q75-D190 VanDerWaalsContact CG-O 3.24Å; Q75-D190 WeakPolarHBondContact CG-O 3.41Å; Q75-S191 WeakPolarHBondContact CG-OG 3.33Å
76Y98.6Very high97.3Very high15 Ų1546.2 Ų46.26%0.05923%0.226CC..Hα-helixtrans-57.4-45.1176.4170.8-78.7000112.6F54 F58 L72 L73 A74 R80 E146 S191F54-Y76 HydrophobicContact CE2-CE1 4.37Å; F54-Y76 HydrophobicContact CZ-CD1 4.16Å; F54-Y76 AromaticContact CZ-CE1 3.64Å; F54-Y76 HydrophobicContact CZ-CE1 3.64Å; F54-Y76 AromaticContact CZ-CZ 3.82Å; F58-Y76 HydrophobicContact CE1-CD2 4.02Å; F58-Y76 AromaticContact CE1-CG 3.96Å; F58-Y76 HydrophobicContact CE1-CG 3.96Å; F58-Y76 HydrophobicContact CZ-CD1 4.19Å; F58-Y76 AromaticContact CZ-CD2 3.68Å; F58-Y76 HydrophobicContact CZ-CD2 3.68Å; F58-Y76 HydrophobicContact CZ-CE2 4.19Å; F58-Y76 AromaticContact CZ-CG 3.71Å; F58-Y76 HydrophobicContact CZ-CG 3.71Å; L72-Y76 WeakPolarHBondContact O-CB 3.13Å; L72-Y76 PolarHBondContact O-N 3.2Å; L73-Y76 WeakPolarHBondContact O-CB 3.26Å; L73-Y76 PolarHBondContact O-N 3.09Å; A74-Y76 VanDerWaalsContact C-N 3.31Å; A74-Y76 PolarHBondContact O-N 3.38Å; Y76-R80 VanDerWaalsContact CE1-CZ 3.48Å; Y76-R80 VanDerWaalsContact CE1-NH1 3.3Å; Y76-R80 VanDerWaalsContact CG-NH1 3.26Å; Y76-R80 PolarHBondContact O-NH1 2.94Å; Y76-R80 VanDerWaalsContact OH-CZ 3.25Å; Y76-R80 PolarHBondContact OH-NH2 2.67Å; Y76-E146 VanDerWaalsContact CE2-OE1 3.25Å; Y76-E146 WeakPolarHBondContact CE2-OE1 3.46Å; Y76-E146 PolarHBondContact OH-OE1 2.78Å; Y76-S191 VanDerWaalsContact CA-O 3.27Å; Y76-S191 WeakPolarHBondContact CA-O 3.47Å; Y76-S191 WeakPolarHBondContact CB-O 3.29Å; Y76-S191 WeakPolarHBondContact CD2-O 3.35Å
77F98.2Very high97.1Very high9 Ų945.6 Ų45.64%0.03922%0.222CC..Hα-helixtrans-78.2-41.3178.8-75.3-69.8000112I45 G46 F47 L48 R49 F54 L73 A74 Q75 F79 R80 Q81I45-F77 HydrophobicContact CG2-CB 3.56Å; G46-F77 WeakPolarHBondContact O-CD1 3.48Å; F47-F77 HydrophobicContact CB-CD2 4.39Å; F47-F77 HydrophobicContact CB-CE2 4.32Å; F47-F77 AromaticContact CD1-CD2 3.43Å; F47-F77 HydrophobicContact CD1-CD2 3.43Å; F47-F77 VanDerWaalsContact CD1-CD2 3.43Å; F47-F77 AromaticContact CD1-CE2 3.8Å; F47-F77 HydrophobicContact CD1-CE2 3.8Å; F47-F77 HydrophobicContact CD1-CG 4.31Å; F47-F77 HydrophobicContact CE1-CD2 4.09Å; F47-F77 HydrophobicContact CG-CD2 4.21Å; L48-F77 HydrophobicContact CB-CE1 3.94Å; L48-F77 HydrophobicContact CG-CE1 4.45Å; L48-F77 VanDerWaalsContact N-CE1 3.34Å; R49-F77 HydrophobicContact CB-CZ 4.22Å; R49-F77 WeakPolarHBondContact O-CZ 3.27Å; F54-F77 AromaticContact CE1-CE2 3.77Å; F54-F77 HydrophobicContact CE1-CE2 3.77Å; F54-F77 AromaticContact CE1-CZ 3.65Å; F54-F77 HydrophobicContact CE1-CZ 3.65Å; F54-F77 HydrophobicContact CZ-CE2 4.26Å; F54-F77 AromaticContact CZ-CZ 3.91Å; F54-F77 HydrophobicContact CZ-CZ 3.91Å; L73-F77 HydrophobicContact CD1-CD2 4.19Å; L73-F77 HydrophobicContact CD1-CE2 3.72Å; L73-F77 HydrophobicContact CG-CE2 4.42Å; L73-F77 WeakPolarHBondContact O-CD2 3.5Å; L73-F77 PolarHBondContact O-N 2.85Å; A74-F77 PolarHBondContact O-N 2.94Å; Q75-F77 PolarHBondContact O-N 3.16Å; F77-F79 VanDerWaalsContact C-N 3.32Å; F77-F79 PolarHBondContact O-N 3.38Å; F77-R80 WeakPolarHBondContact O-CB 3.29Å; F77-R80 PolarHBondContact O-N 3.27Å; F77-R80 VanDerWaalsContact O-N 3.12Å; F77-Q81 WeakPolarHBondContact O-CG 3.32Å; F77-Q81 PolarHBondContact O-N 2.67Å
78Q97.8Very high96.7Very high40 Ų4047.2 Ų47.219%0.18722%0.223CC..Hα-helixtrans-59.3-43.5176.4-73.4-175.8-63.900112.2I45 A74 Q75 R80 Q81 Q82I45-Q78 HydrophobicContact CB-CG 4.49Å; I45-Q78 HydrophobicContact CD1-CG 3.5Å; I45-Q78 HydrophobicContact CG1-CG 3.57Å; I45-Q78 HydrophobicContact CG2-CG 4.21Å; A74-Q78 WeakPolarHBondContact O-CB 3.24Å; A74-Q78 VanDerWaalsContact O-CG 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.03Å; A74-Q78 PolarHBondContact O-N 3.49Å; Q75-Q78 PolarHBondContact O-N 3.5Å; Q78-R80 PolarHBondContact O-N 2.84Å; Q78-Q81 PolarHBondContact O-N 2.62Å; Q78-Q82 WeakPolarHBondContact O-CB 3.45Å; Q78-Q82 VanDerWaalsContact O-CG 3.27Å; Q78-Q82 WeakPolarHBondContact O-CG 3.26Å; Q78-Q82 PolarHBondContact O-N 3.22Å
79F98.1Very high96.3Very high2 Ų246.8 Ų46.81%0.00923%0.228CC..Hα-helixtrans-57.8-39.8176.8-179.3-103.9000111.7Q75 F77 N83 M86 F87 L142 L183 E186 G187 S191Q75-F79 WeakPolarHBondContact O-CB 3.37Å; Q75-F79 PolarHBondContact O-N 2.79Å; F77-F79 VanDerWaalsContact C-N 3.32Å; F77-F79 PolarHBondContact O-N 3.38Å; F79-N83 WeakPolarHBondContact O-CB 3.47Å; F79-N83 PolarHBondContact O-N 3.25Å; F79-N83 VanDerWaalsContact O-N 3.17Å; F79-N83 PolarHBondContact O-ND2 3.12Å; F79-M86 HydrophobicContact CD1-CE 4.46Å; F79-M86 HydrophobicContact CE1-CE 3.41Å; F79-M86 VanDerWaalsContact CE1-CE 3.41Å; F79-M86 HydrophobicContact CZ-CE 3.65Å; F79-F87 AromaticContact CD1-CE2 3.84Å; F79-F87 HydrophobicContact CD1-CE2 3.84Å; F79-F87 AromaticContact CD1-CZ 3.79Å; F79-F87 HydrophobicContact CD1-CZ 3.79Å; F79-F87 AromaticContact CE1-CE2 3.82Å; F79-F87 HydrophobicContact CE1-CE2 3.82Å; F79-F87 AromaticContact CE1-CZ 3.67Å; F79-F87 HydrophobicContact CE1-CZ 3.67Å; F79-L142 HydrophobicContact CE1-CD1 4.48Å; F79-L183 HydrophobicContact CE2-CD1 3.71Å; F79-L183 HydrophobicContact CZ-CD1 3.86Å; F79-L183 HydrophobicContact CZ-CG 4.47Å; F79-E186 HydrophobicContact CD2-CB 4.48Å; F79-E186 HydrophobicContact CD2-CG 3.83Å; F79-E186 HydrophobicContact CE2-CB 4.06Å; F79-E186 HydrophobicContact CE2-CG 3.92Å; F79-G187 VanDerWaalsContact CZ-CA 3.41Å; F79-S191 WeakPolarHBondContact CB-OG 3.49Å; F79-S191 WeakPolarHBondContact CG-OG 3.16Å
80R97.4Very high96.1Very high25 Ų2547.8 Ų47.89%0.09423%0.233CC..Hα-helixtrans-67.6-45.8174.9-73.4172.1171.572.10.6112.3Y76 F77 Q78 Q82 N83 L84 F87 E146Y76-R80 VanDerWaalsContact CE1-CZ 3.48Å; Y76-R80 VanDerWaalsContact CE1-NH1 3.3Å; Y76-R80 VanDerWaalsContact CG-NH1 3.26Å; Y76-R80 PolarHBondContact O-NH1 2.94Å; Y76-R80 VanDerWaalsContact OH-CZ 3.25Å; Y76-R80 PolarHBondContact OH-NH2 2.67Å; F77-R80 WeakPolarHBondContact O-CB 3.29Å; F77-R80 PolarHBondContact O-N 3.27Å; F77-R80 VanDerWaalsContact O-N 3.12Å; Q78-R80 PolarHBondContact O-N 2.84Å; R80-Q82 VanDerWaalsContact C-N 3.25Å; R80-Q82 PolarHBondContact O-N 2.98Å; R80-N83 CarbonylContact O-C 3.47Å; R80-N83 PolarHBondContact O-N 3.38Å; R80-L84 PolarHBondContact O-N 3.1Å; R80-F87 HydrophobicContact CB-CD2 4.03Å; R80-F87 HydrophobicContact CB-CE2 4.14Å; R80-F87 HydrophobicContact CB-CG 4.47Å; R80-F87 HydrophobicContact CG-CD1 4.08Å; R80-F87 HydrophobicContact CG-CD2 3.74Å; R80-F87 HydrophobicContact CG-CE1 3.93Å; R80-F87 HydrophobicContact CG-CE2 3.57Å; R80-F87 HydrophobicContact CG-CG 3.97Å; R80-F87 HydrophobicContact CG-CZ 3.65Å; R80-E146 IonicContact CZ-OE1 3.39Å; R80-E146 IonicContact NH2-OE1 3.65Å; R80-E146 PolarHBondContact NH2-OE1 3.25Å
81Q95.4Very high95.9Very high82 Ų8250.8 Ų50.838%0.38325%0.246SC..Hα-helixtrans-62.2-32.3177.8-68.3178.4-68.400112.8F77 Q78 L84F77-Q81 WeakPolarHBondContact O-CG 3.32Å; F77-Q81 PolarHBondContact O-N 2.67Å; Q78-Q81 PolarHBondContact O-N 2.62Å; Q81-L84 WeakPolarHBondContact O-CG 3.48Å
82Q96.1Very high95.6Very high125 Ų12547.9 Ų47.958%0.58424%0.238SC*.Hα-helixtrans-83.1-17179-70.6171.7-8.500113.3Q78 R80Q78-Q82 WeakPolarHBondContact O-CB 3.45Å; Q78-Q82 VanDerWaalsContact O-CG 3.27Å; Q78-Q82 WeakPolarHBondContact O-CG 3.26Å; Q78-Q82 PolarHBondContact O-N 3.22Å; R80-Q82 VanDerWaalsContact C-N 3.25Å; R80-Q82 PolarHBondContact O-N 2.98Å
83N96.6Very high95.2Very high40 Ų4051.9 Ų51.921%0.21426%0.259CS..THydrogen-bonded Turntrans-128.643.3-175.3-60.3-82000111.3F79 R80 D85 M86 F87 L183F79-N83 WeakPolarHBondContact O-CB 3.47Å; F79-N83 PolarHBondContact O-N 3.25Å; F79-N83 VanDerWaalsContact O-N 3.17Å; F79-N83 PolarHBondContact O-ND2 3.12Å; R80-N83 CarbonylContact O-C 3.47Å; R80-N83 PolarHBondContact O-N 3.38Å; N83-D85 PolarHBondContact O-N 3.06Å; N83-D85 VanDerWaalsContact O-N 3.16Å; N83-M86 HydrophobicContact CB-CB 4.37Å; N83-M86 HydrophobicContact CB-CE 4.33Å; N83-M86 WeakPolarHBondContact O-CB 3.44Å; N83-M86 PolarHBondContact O-N 3.33Å; N83-F87 HydrophobicContact CB-CD2 4.45Å; N83-F87 HydrophobicContact CB-CE2 4.28Å; N83-F87 WeakPolarHBondContact O-CD2 3.28Å; N83-L183 VanDerWaalsContact OD1-CD1 3.29Å; N83-L183 WeakPolarHBondContact OD1-CD1 3.32Å
84L94.5Very high95Very high115 Ų11553 Ų5360%0.60227%0.266SS*.Hα-helixtrans-52.6-39.3-174.4-69.6172.6000113.1R80 Q81 M86 F87 Q88R80-L84 PolarHBondContact O-N 3.1Å; Q81-L84 WeakPolarHBondContact O-CG 3.48Å; L84-M86 PolarHBondContact O-N 3.11Å; L84-M86 VanDerWaalsContact O-N 3.14Å; L84-F87 CarbonylContact O-C 3.54Å; L84-F87 PolarHBondContact O-N 2.76Å; L84-Q88 PolarHBondContact O-N 2.86Å
85D91.8Very high94.8Very high137 Ų13757 Ų5773%0.73329%0.292SS*.Hα-helixtrans-57.8-29.7178.3-59-24.8000112.8N83 R139N83-D85 PolarHBondContact O-N 3.06Å; N83-D85 VanDerWaalsContact O-N 3.16Å; D85-R139 PolarHBondContact O-NH1 2.83Å
86M94.4Very high94.7Very high8 Ų856.2 Ų56.24%0.03929%0.29CS..Hα-helixtrans-77.9-26.4177.1-169.4171.466.600112.4F79 N83 L84 I135 L138 R139 L142 L183F79-M86 HydrophobicContact CD1-CE 4.46Å; F79-M86 HydrophobicContact CE1-CE 3.41Å; F79-M86 VanDerWaalsContact CE1-CE 3.41Å; F79-M86 HydrophobicContact CZ-CE 3.65Å; N83-M86 HydrophobicContact CB-CB 4.37Å; N83-M86 HydrophobicContact CB-CE 4.33Å; N83-M86 WeakPolarHBondContact O-CB 3.44Å; N83-M86 PolarHBondContact O-N 3.33Å; L84-M86 PolarHBondContact O-N 3.11Å; L84-M86 VanDerWaalsContact O-N 3.14Å; M86-I135 HydrophobicContact CG-CG2 4.01Å; M86-I135 HydrophobicContact SD-CG2 4.37Å; M86-L138 HydrophobicContact SD-CD2 3.79Å; M86-L138 HydrophobicContact SD-CG 4.14Å; M86-R139 HydrophobicContact CG-CG 3.43Å; M86-R139 VanDerWaalsContact CG-CG 3.43Å; M86-R139 WeakPolarHBondContact O-CD 3.39Å; M86-R139 VanDerWaalsContact O-CG 3.28Å; M86-R139 WeakPolarHBondContact O-CG 3.38Å; M86-R139 PolarHBondContact O-NE 3.28Å; M86-R139 PolarHBondContact O-NH1 2.93Å; M86-L142 HydrophobicContact CE-CD1 3.81Å; M86-L142 HydrophobicContact SD-CD1 4.36Å; M86-L183 HydrophobicContact SD-CD2 4.45Å
87F94.3Very high94.6Very high28 Ų2855.5 Ų55.512%0.12329%0.288CS..Hα-helixtrans-108.82.9-175.1-63.5-77.2000113.5F79 R80 N83 L84 S89 F90 L142F79-F87 AromaticContact CD1-CE2 3.84Å; F79-F87 HydrophobicContact CD1-CE2 3.84Å; F79-F87 AromaticContact CD1-CZ 3.79Å; F79-F87 HydrophobicContact CD1-CZ 3.79Å; F79-F87 AromaticContact CE1-CE2 3.82Å; F79-F87 HydrophobicContact CE1-CE2 3.82Å; F79-F87 AromaticContact CE1-CZ 3.67Å; F79-F87 HydrophobicContact CE1-CZ 3.67Å; R80-F87 HydrophobicContact CB-CD2 4.03Å; R80-F87 HydrophobicContact CB-CE2 4.14Å; R80-F87 HydrophobicContact CB-CG 4.47Å; R80-F87 HydrophobicContact CG-CD1 4.08Å; R80-F87 HydrophobicContact CG-CD2 3.74Å; R80-F87 HydrophobicContact CG-CE1 3.93Å; R80-F87 HydrophobicContact CG-CE2 3.57Å; R80-F87 HydrophobicContact CG-CG 3.97Å; R80-F87 HydrophobicContact CG-CZ 3.65Å; N83-F87 HydrophobicContact CB-CD2 4.45Å; N83-F87 HydrophobicContact CB-CE2 4.28Å; N83-F87 WeakPolarHBondContact O-CD2 3.28Å; L84-F87 CarbonylContact O-C 3.54Å; L84-F87 PolarHBondContact O-N 2.76Å; F87-S89 PolarHBondContact O-N 2.94Å; F87-F90 HydrophobicContact CD1-CD1 4.44Å; F87-F90 AromaticContact CD1-CD2 3.99Å; F87-F90 HydrophobicContact CD1-CD2 3.99Å; F87-F90 HydrophobicContact CD1-CE1 4.49Å; F87-F90 HydrophobicContact CD1-CE2 4.06Å; F87-F90 HydrophobicContact CD1-CG 4.17Å; F87-F90 HydrophobicContact CD1-CZ 4.29Å; F87-F90 HydrophobicContact CE1-CE2 4.29Å; F87-F90 HydrophobicContact CE1-CZ 4.27Å; F87-F90 VanDerWaalsContact O-CB 3.32Å; F87-F90 WeakPolarHBondContact O-CB 3.3Å; F87-L142 HydrophobicContact CE1-CD1 4.21Å; F87-L142 HydrophobicContact CZ-CD1 4.09Å
88Q89Confident94.5Very high131 Ų13156.4 Ų56.461%0.61229%0.292SS*.THydrogen-bonded Turntrans-66.6130.8170.5-173.4177.821.300110.2L84 F90 R139L84-Q88 PolarHBondContact O-N 2.86Å; Q88-F90 VanDerWaalsContact C-N 3.27Å; Q88-F90 PolarHBondContact O-N 3.35Å; Q88-R139 PolarHBondContact O-NH2 2.97Å
89S90.3Very high94.4Very high60 Ų6059.5 Ų59.542%0.4230%0.301SS..THydrogen-bonded Turntrans51.647.6-177.5-56.40000111.7F87 K91 D94F87-S89 PolarHBondContact O-N 2.94Å; S89-K91 VanDerWaalsContact C-N 3.25Å; S89-K91 WeakPolarHBondContact O-CG 3.41Å; S89-K91 PolarHBondContact O-N 3.35Å; S89-D94 WeakPolarHBondContact O-CB 3.44Å
90F94.5Very high94.3Very high21 Ų2159.4 Ų59.49%0.09230%0.301CS..  trans-7872-176.3-166.1-108.8000112.2F87 Q88 I97 R139 L142 L143 E146F87-F90 HydrophobicContact CD1-CD1 4.44Å; F87-F90 AromaticContact CD1-CD2 3.99Å; F87-F90 HydrophobicContact CD1-CD2 3.99Å; F87-F90 HydrophobicContact CD1-CE1 4.49Å; F87-F90 HydrophobicContact CD1-CE2 4.06Å; F87-F90 HydrophobicContact CD1-CG 4.17Å; F87-F90 HydrophobicContact CD1-CZ 4.29Å; F87-F90 HydrophobicContact CE1-CE2 4.29Å; F87-F90 HydrophobicContact CE1-CZ 4.27Å; F87-F90 VanDerWaalsContact O-CB 3.32Å; F87-F90 WeakPolarHBondContact O-CB 3.3Å; Q88-F90 VanDerWaalsContact C-N 3.27Å; Q88-F90 PolarHBondContact O-N 3.35Å; F90-I97 HydrophobicContact CD2-CD1 3.94Å; F90-I97 HydrophobicContact CE2-CD1 4.36Å; F90-R139 HydrophobicContact CE2-CB 4.25Å; F90-R139 WeakPolarHBondContact CE2-O 3.3Å; F90-L142 HydrophobicContact CE2-CB 4.38Å; F90-L142 HydrophobicContact CZ-CB 3.82Å; F90-L143 HydrophobicContact CD1-CD1 3.97Å; F90-L143 HydrophobicContact CE1-CB 3.95Å; F90-L143 HydrophobicContact CE1-CD1 4.01Å; F90-L143 HydrophobicContact CE1-CG 4.39Å; F90-L143 HydrophobicContact CE2-CB 4.12Å; F90-L143 HydrophobicContact CG-CD1 4.27Å; F90-L143 HydrophobicContact CZ-CB 3.64Å; F90-L143 HydrophobicContact CZ-CD1 4.34Å; F90-L143 VanDerWaalsContact CZ-N 3.29Å; F90-E146 HydrophobicContact CE1-CG 4.18Å
91K94.3Very high94.3Very high90 Ų9058.2 Ų58.239%0.39130%0.296SS..SBendtrans-140.5157.2-175.450.6178.7-162.61430110.7S89 D93 D94S89-K91 VanDerWaalsContact C-N 3.25Å; S89-K91 WeakPolarHBondContact O-CG 3.41Å; S89-K91 PolarHBondContact O-N 3.35Å; K91-D93 VanDerWaalsContact C-N 3.25Å; K91-D93 WeakPolarHBondContact CB-OD1 3.22Å; K91-D93 WeakPolarHBondContact CD-OD1 3.41Å; K91-D93 WeakPolarHBondContact CE-OD1 3.3Å; K91-D93 WeakPolarHBondContact CG-OD1 3.47Å; K91-D93 VanDerWaalsContact NZ-CG 3.34Å; K91-D93 IonicContact NZ-OD1 3.5Å; K91-D93 PolarHBondContact NZ-OD1 3.05Å; K91-D93 IonicContact NZ-OD2 3.57Å; K91-D93 PolarHBondContact NZ-OD2 3.28Å; K91-D93 PolarHBondContact O-N 3.17Å; K91-D94 HydrophobicContact CG-CB 4.48Å; K91-D94 WeakPolarHBondContact O-CB 3.28Å; K91-D94 PolarHBondContact O-N 2.87Å; K91-D94 VanDerWaalsContact O-N 3.15Å
92V92.9Very high94.2Very high34 Ų3456.2 Ų56.221%0.20629%0.288CS..THydrogen-bonded Turntrans-62-31.1-173.765.70000113.3D94 K98 L101 L143 L266 L267V92-D94 VanDerWaalsContact C-N 3.32Å; V92-K98 WeakPolarHBondContact O-CB 3.15Å; V92-L101 HydrophobicContact CG2-CD1 3.94Å; V92-L143 HydrophobicContact CB-CD2 4.29Å; V92-L266 HydrophobicContact CB-CB 4.48Å; V92-L266 HydrophobicContact CG2-CB 3.55Å; V92-L266 HydrophobicContact CG2-CD1 4.3Å; V92-L267 HydrophobicContact CG1-CD2 4.13Å; V92-L267 HydrophobicContact CG2-CD2 3.77Å; V92-L267 HydrophobicContact CG2-CG 3.91Å
93D89.2Confident94.2Very high83 Ų8351.5 Ų51.544%0.44427%0.267SS..THydrogen-bonded Turntrans-85.6-0.4-179.267.3-32.1000113.4K91K91-D93 VanDerWaalsContact C-N 3.25Å; K91-D93 WeakPolarHBondContact CB-OD1 3.22Å; K91-D93 WeakPolarHBondContact CD-OD1 3.41Å; K91-D93 WeakPolarHBondContact CE-OD1 3.3Å; K91-D93 WeakPolarHBondContact CG-OD1 3.47Å; K91-D93 VanDerWaalsContact NZ-CG 3.34Å; K91-D93 IonicContact NZ-OD1 3.5Å; K91-D93 PolarHBondContact NZ-OD1 3.05Å; K91-D93 IonicContact NZ-OD2 3.57Å; K91-D93 PolarHBondContact NZ-OD2 3.28Å; K91-D93 PolarHBondContact O-N 3.17Å
94D95.2Very high94.1Very high24 Ų2449.6 Ų49.613%0.12826%0.256CS..SBendtrans-59.4128.9168.7173.8-95.9000110S89 K91 V92 S96 I97 K98 R139S89-D94 WeakPolarHBondContact O-CB 3.44Å; K91-D94 HydrophobicContact CG-CB 4.48Å; K91-D94 WeakPolarHBondContact O-CB 3.28Å; K91-D94 PolarHBondContact O-N 2.87Å; K91-D94 VanDerWaalsContact O-N 3.15Å; V92-D94 VanDerWaalsContact C-N 3.32Å; D94-S96 PolarHBondContact O-N 2.9Å; D94-S96 VanDerWaalsContact O-N 3.09Å; D94-S96 WeakPolarHBondContact OD1-CB 3.28Å; D94-S96 PolarHBondContact OD1-N 3.37Å; D94-S96 PolarHBondContact OD1-OG 3.24Å; D94-I97 HydrophobicContact CB-CB 4.17Å; D94-I97 HydrophobicContact CB-CD1 4.16Å; D94-I97 HydrophobicContact CB-CG1 4.26Å; D94-I97 PolarHBondContact O-N 2.89Å; D94-I97 PolarHBondContact OD1-N 2.93Å; D94-I97 VanDerWaalsContact OD1-N 3.13Å; D94-K98 VanDerWaalsContact O-CB 3.24Å; D94-K98 WeakPolarHBondContact O-CB 3.2Å; D94-K98 PolarHBondContact O-N 2.97Å; D94-R139 IonicContact OD1-NH2 3.66Å; D94-R139 IonicContact OD2-NH2 3.34Å
95P94.7Very high94.2Very high88 Ų8844.4 Ų44.457%0.57123%0.229SC*.Hα-helixtrans-57.8-31.1-172.9-28.235.1000114.9R99P95-R99 VanDerWaalsContact O-CB 3.24Å; P95-R99 WeakPolarHBondContact O-CB 3.46Å; P95-R99 PolarHBondContact O-N 3.18Å
96S95.2Very high94.4Very high24 Ų2437.9 Ų37.917%0.16819%0.194CC..Hα-helixtrans-78-44.8-179.9740000111.5D94 A100D94-S96 PolarHBondContact O-N 2.9Å; D94-S96 VanDerWaalsContact O-N 3.09Å; D94-S96 WeakPolarHBondContact OD1-CB 3.28Å; D94-S96 PolarHBondContact OD1-N 3.37Å; D94-S96 PolarHBondContact OD1-OG 3.24Å; S96-A100 WeakPolarHBondContact O-CB 3.47Å; S96-A100 PolarHBondContact O-N 2.78Å
97I96.9Very high94.6Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-65.5-49.2178.2-66.7177.8000109.9F90 D94 R99 A100 L101 R139 A140 L143F90-I97 HydrophobicContact CD2-CD1 3.94Å; F90-I97 HydrophobicContact CE2-CD1 4.36Å; D94-I97 HydrophobicContact CB-CB 4.17Å; D94-I97 HydrophobicContact CB-CD1 4.16Å; D94-I97 HydrophobicContact CB-CG1 4.26Å; D94-I97 PolarHBondContact O-N 2.89Å; D94-I97 PolarHBondContact OD1-N 2.93Å; D94-I97 VanDerWaalsContact OD1-N 3.13Å; I97-R99 VanDerWaalsContact C-N 3.33Å; I97-R99 PolarHBondContact O-N 2.79Å; I97-A100 PolarHBondContact O-N 2.69Å; I97-L101 HydrophobicContact CG2-CD1 3.82Å; I97-L101 HydrophobicContact CG2-CG 4.31Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 2.68Å; I97-R139 HydrophobicContact CD1-CB 4.12Å; I97-R139 HydrophobicContact CG1-CB 3.86Å; I97-A140 HydrophobicContact CG2-CB 4.26Å; I97-L143 HydrophobicContact CD1-CD1 4.33Å; I97-L143 HydrophobicContact CG2-CD2 4.02Å
98K95.5Very high94.8Very high28 Ų2836.5 Ų36.512%0.12219%0.188CC..Hα-helixtrans-56.4-46.5179.1-171.3177.7176.4-175.20111.9V92 D94 L101 M102 L267 Y271 E276V92-K98 WeakPolarHBondContact O-CB 3.15Å; D94-K98 VanDerWaalsContact O-CB 3.24Å; D94-K98 WeakPolarHBondContact O-CB 3.2Å; D94-K98 PolarHBondContact O-N 2.97Å; K98-L101 PolarHBondContact O-N 3.24Å; K98-M102 WeakPolarHBondContact O-CB 3.25Å; K98-M102 VanDerWaalsContact O-CG 3.31Å; K98-M102 WeakPolarHBondContact O-CG 3.17Å; K98-M102 PolarHBondContact O-N 3.07Å; K98-L267 HydrophobicContact CD-CD1 4.41Å; K98-L267 HydrophobicContact CD-CD2 4.26Å; K98-L267 HydrophobicContact CG-CD1 4.2Å; K98-L267 HydrophobicContact CG-CD2 4.43Å; K98-Y271 VanDerWaalsContact CE-CE2 3.49Å; K98-Y271 VanDerWaalsContact NZ-CE2 3.31Å; K98-E276 VanDerWaalsContact CE-OE2 3.24Å; K98-E276 WeakPolarHBondContact CE-OE2 3.21Å; K98-E276 IonicContact NZ-OE1 2.79Å; K98-E276 PolarHBondContact NZ-OE1 3.47Å; K98-E276 IonicContact NZ-OE2 3.62Å; K98-E276 PolarHBondContact NZ-OE2 3.44Å
99R95.5Very high95.2Very high104 Ų10430.6 Ų30.639%0.39216%0.161SC..Hα-helixtrans-62-46.2177.9-174.4-172.5-54.7149.28.9111.7P95 I97 L101 M102 D103 R131 N132P95-R99 VanDerWaalsContact O-CB 3.24Å; P95-R99 WeakPolarHBondContact O-CB 3.46Å; P95-R99 PolarHBondContact O-N 3.18Å; I97-R99 VanDerWaalsContact C-N 3.33Å; I97-R99 PolarHBondContact O-N 2.79Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-L101 PolarHBondContact O-N 3.08Å; R99-M102 PolarHBondContact O-N 2.89Å; R99-D103 WeakPolarHBondContact O-CB 3.25Å; R99-D103 PolarHBondContact O-N 2.9Å; R99-R131 WeakPolarHBondContact CD-O 3.08Å; R99-R131 PolarHBondContact NH1-O 3.27Å; R99-N132 WeakPolarHBondContact CD-OD1 3.41Å; R99-N132 WeakPolarHBondContact CG-OD1 3.44Å
100A96.9Very high95.4Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-60.6-44177.300000111.5S96 I97 M102 D103 G104 F105 N132 A140S96-A100 WeakPolarHBondContact O-CB 3.47Å; S96-A100 PolarHBondContact O-N 2.78Å; I97-A100 PolarHBondContact O-N 2.69Å; A100-M102 PolarHBondContact O-N 2.76Å; A100-D103 PolarHBondContact O-N 2.88Å; A100-G104 PolarHBondContact O-N 2.89Å; A100-F105 CarbonylContact C-O 3.55Å; A100-F105 HydrophobicContact CB-CB 4.42Å; A100-F105 WeakPolarHBondContact O-CA 3.32Å; A100-F105 WeakPolarHBondContact O-CB 3.22Å; A100-F105 PolarHBondContact O-N 3.15Å; A100-N132 PolarHBondContact N-OD1 3.44Å; A100-A140 HydrophobicContact CB-CB 3.83Å
101L96.8Very high95.3Very high0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-60.3-44.5175.5-69.6169.5000111.7V92 I97 K98 R99 D103 G104 A140 L143 A263 L266V92-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 HydrophobicContact CG2-CD1 3.82Å; I97-L101 HydrophobicContact CG2-CG 4.31Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 2.68Å; K98-L101 PolarHBondContact O-N 3.24Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-L101 PolarHBondContact O-N 3.08Å; L101-D103 VanDerWaalsContact C-N 3.31Å; L101-D103 PolarHBondContact O-N 3.37Å; L101-G104 PolarHBondContact O-N 3.32Å; L101-A140 HydrophobicContact CD2-CB 4.05Å; L101-A140 HydrophobicContact CG-CB 4.03Å; L101-L143 HydrophobicContact CD1-CD2 4.36Å; L101-A263 HydrophobicContact CB-CB 3.76Å; L101-L266 HydrophobicContact CD1-CD1 3.83Å; L101-L266 HydrophobicContact CD2-CD1 4.14Å
102M94.3Very high95.5Very high41 Ų4133.8 Ų33.820%0.20218%0.182CC..Hα-helixtrans-65.3-33177.9-74.9-58.5-139.900113.6K98 R99 A100 G104 A263 L267 Y271 D273K98-M102 WeakPolarHBondContact O-CB 3.25Å; K98-M102 VanDerWaalsContact O-CG 3.31Å; K98-M102 WeakPolarHBondContact O-CG 3.17Å; K98-M102 PolarHBondContact O-N 3.07Å; R99-M102 PolarHBondContact O-N 2.89Å; A100-M102 PolarHBondContact O-N 2.76Å; M102-G104 PolarHBondContact O-N 2.98Å; M102-A263 HydrophobicContact CG-CB 4.02Å; M102-A263 HydrophobicContact SD-CB 3.37Å; M102-A263 WeakPolarHBondContact SD-CB 3.24Å; M102-L267 HydrophobicContact CE-CD1 4.41Å; M102-Y271 HydrophobicContact CE-CD1 4.35Å; M102-Y271 HydrophobicContact CE-CE1 3.21Å; M102-Y271 HydrophobicContact CE-CE2 4.43Å; M102-Y271 WeakPolarHBondContact CE-OH 3.19Å; M102-D273 WeakPolarHBondContact CE-OD1 3.5Å
103D94.6Very high95.7Very high26 Ų2632.3 Ų32.314%0.13917%0.173CC..THydrogen-bonded Turntrans-78.43.8174.3-66.8-29.9000112.4R99 A100 L101 F105 R131 N132R99-D103 WeakPolarHBondContact O-CB 3.25Å; R99-D103 PolarHBondContact O-N 2.9Å; A100-D103 PolarHBondContact O-N 2.88Å; L101-D103 VanDerWaalsContact C-N 3.31Å; L101-D103 PolarHBondContact O-N 3.37Å; D103-F105 HydrophobicContact CB-CD2 4.12Å; D103-F105 HydrophobicContact CB-CE2 4.38Å; D103-R131 VanDerWaalsContact CG-NH2 3.32Å; D103-R131 IonicContact OD1-CZ 3.5Å; D103-R131 VanDerWaalsContact OD1-CZ 3.29Å; D103-R131 IonicContact OD1-NH1 2.67Å; D103-R131 PolarHBondContact OD1-NH1 3.37Å; D103-R131 IonicContact OD1-NH2 3.26Å; D103-R131 PolarHBondContact OD1-NH2 3.24Å; D103-R131 IonicContact OD2-CZ 2.74Å; D103-R131 IonicContact OD2-NE 2.72Å; D103-R131 IonicContact OD2-NH1 2.61Å; D103-R131 IonicContact OD2-NH2 3.29Å; D103-R131 PolarHBondContact OD2-NH2 2.88Å; D103-R131 VanDerWaalsContact OD2-NH2 3.08Å; D103-N132 PolarHBondContact OD2-ND2 3.38Å
104G94.9Very high96.1Very high0 Ų031.2 Ų31.20%017%0.165CC..THydrogen-bonded Turntrans87.725.3175.900000114.6A100 L101 M102 P106 G107A100-G104 PolarHBondContact O-N 2.89Å; L101-G104 PolarHBondContact O-N 3.32Å; M102-G104 PolarHBondContact O-N 2.98Å; G104-P106 CarbonylContact O-C 3.52Å; G104-P106 VanDerWaalsContact O-C 3.22Å; G104-P106 WeakPolarHBondContact O-CA 3.17Å; G104-G107 PolarHBondContact O-N 3.14Å
105F96.2Very high96.1Very high6 Ų634.8 Ų34.83%0.02618%0.181CC..THydrogen-bonded Turntrans-114.998.8-179.1-65.3-62.6000113A100 D103 L122 F123 N126 W127 I137 A140A100-F105 CarbonylContact C-O 3.55Å; A100-F105 HydrophobicContact CB-CB 4.42Å; A100-F105 WeakPolarHBondContact O-CA 3.32Å; A100-F105 WeakPolarHBondContact O-CB 3.22Å; A100-F105 PolarHBondContact O-N 3.15Å; D103-F105 HydrophobicContact CB-CD2 4.12Å; D103-F105 HydrophobicContact CB-CE2 4.38Å; F105-L122 HydrophobicContact CD1-CD2 3.94Å; F105-F123 WeakPolarHBondContact CE1-O 3.38Å; F105-F123 WeakPolarHBondContact CZ-O 3.33Å; F105-N126 HydrophobicContact CE2-CB 3.85Å; F105-N126 VanDerWaalsContact CZ-C 3.5Å; F105-N126 HydrophobicContact CZ-CB 3.6Å; F105-W127 HydrophobicContact CE2-CB 4.27Å; F105-W127 HydrophobicContact CZ-CB 3.85Å; F105-I137 HydrophobicContact CB-CB 4.42Å; F105-I137 HydrophobicContact CB-CG1 3.97Å; F105-I137 HydrophobicContact CB-CG2 4.03Å; F105-I137 HydrophobicContact CD1-CD1 4.35Å; F105-I137 HydrophobicContact CD1-CG2 4.34Å; F105-I137 HydrophobicContact CD2-CD1 3.98Å; F105-I137 HydrophobicContact CD2-CG1 4.06Å; F105-I137 HydrophobicContact CE2-CD1 4.21Å; F105-I137 HydrophobicContact CG-CD1 4.05Å; F105-I137 HydrophobicContact CG-CG1 3.95Å; F105-I137 HydrophobicContact CG-CG2 4.3Å; F105-I137 HydrophobicContact CZ-CD1 4.49Å; F105-A140 WeakPolarHBondContact O-CB 3.34Å
106P97.7Very high96.2Very high0 Ų031.7 Ų31.70%017%0.165CC..THydrogen-bonded Turncis-82.4159.9-12.735.4-33.4000112.2G104 V108 L120 L122 I141 S144G104-P106 CarbonylContact O-C 3.52Å; G104-P106 VanDerWaalsContact O-C 3.22Å; G104-P106 WeakPolarHBondContact O-CA 3.17Å; P106-V108 HydrophobicContact CG-CG2 4.44Å; P106-L120 HydrophobicContact CB-CD2 4.3Å; P106-L120 HydrophobicContact CG-CD2 4.21Å; P106-L122 HydrophobicContact CB-CD2 3.83Å; P106-I141 HydrophobicContact CB-CG1 4.16Å; P106-I141 HydrophobicContact CG-CG1 4.06Å; P106-S144 WeakPolarHBondContact CD-OG 3.48Å; P106-S144 WeakPolarHBondContact CG-OG 3.36Å
107G97.8Very high96.4Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-77.4149.1154.500000110.7G104 L120 I121 Y257G104-G107 PolarHBondContact O-N 3.14Å; G107-L120 CarbonylContact O-C 3.57Å; G107-L120 WeakPolarHBondContact O-CA 3.47Å; G107-I121 PolarHBondContact N-O 3.36Å; G107-I121 PolarHBondContact O-N 2.87Å; G107-Y257 WeakPolarHBondContact CA-OH 3.34Å
108V98.3Very high96.5Very high6 Ų633.8 Ų33.84%0.03617%0.17CC..EExtended strand (participates in β ladder)trans-134120.4178.5179.70000108.6P106 K118 L120 L148 Y257 W262P106-V108 HydrophobicContact CG-CG2 4.44Å; V108-K118 HydrophobicContact CG1-CD 3.76Å; V108-K118 HydrophobicContact CG1-CG 3.96Å; V108-L120 HydrophobicContact CG2-CG 4.34Å; V108-L148 HydrophobicContact CG1-CD1 4.11Å; V108-L148 HydrophobicContact CG1-CD2 4.22Å; V108-L148 HydrophobicContact CG2-CD1 4.22Å; V108-Y257 PolarHBondContact N-OH 2.74Å; V108-W262 HydrophobicContact CB-CB 4.17Å; V108-W262 HydrophobicContact CB-CD2 3.65Å; V108-W262 HydrophobicContact CB-CE3 3.83Å; V108-W262 HydrophobicContact CB-CG 3.79Å; V108-W262 HydrophobicContact CB-CZ3 4.48Å; V108-W262 HydrophobicContact CG1-CD2 4.33Å; V108-W262 HydrophobicContact CG1-CE3 4.13Å; V108-W262 HydrophobicContact CG1-CZ3 4.32Å; V108-W262 HydrophobicContact CG2-CB 4.33Å; V108-W262 HydrophobicContact CG2-CD2 3.52Å; V108-W262 HydrophobicContact CG2-CE3 4.16Å; V108-W262 HydrophobicContact CG2-CG 3.57Å; V108-W262 HydrophobicContact CG2-CZ2 4.18Å
109L97.9Very high96.6Very high7 Ų732.4 Ų32.44%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-74.5141.2177.1-62.5-170.9000111.3K118 I119 I121 C245 P247 Y257L109-K118 WeakPolarHBondContact O-CD 3.24Å; L109-K118 PolarHBondContact O-NZ 2.84Å; L109-I119 HydrophobicContact CB-CB 4.21Å; L109-I119 HydrophobicContact CD1-CB 3.96Å; L109-I119 HydrophobicContact CD1-CD1 3.89Å; L109-I119 HydrophobicContact CD1-CG2 3.92Å; L109-I119 HydrophobicContact CG-CB 4.17Å; L109-I119 HydrophobicContact CG-CG2 4.26Å; L109-I119 PolarHBondContact N-O 3.37Å; L109-I121 HydrophobicContact CD1-CD1 3.88Å; L109-I121 HydrophobicContact CD2-CD1 3.41Å; L109-I121 VanDerWaalsContact CD2-CD1 3.41Å; L109-I121 HydrophobicContact CG-CD1 3.55Å; L109-I121 HydrophobicContact CG-CG1 4.36Å; L109-C245 VanDerWaalsContact CD1-O 3.25Å; L109-C245 WeakPolarHBondContact CD1-O 3.02Å; L109-P247 HydrophobicContact CD2-CG 4.36Å; L109-Y257 HydrophobicContact CD2-CD2 3.46Å; L109-Y257 VanDerWaalsContact CD2-CD2 3.46Å; L109-Y257 HydrophobicContact CD2-CE2 3.81Å; L109-Y257 HydrophobicContact CD2-CG 4.4Å
110E94.3Very high96.8Very high144 Ų14427.6 Ų27.667%0.67315%0.146SC*.EExtended strand (participates in β ladder)trans-63-51.5172.4-66.1-173.1166.300110.3K118 M261E110-K118 PolarHBondContact O-NZ 3.35Å; E110-M261 HydrophobicContact CG-SD 4.14Å
111A92.9Very high96.8Very high35 Ų3527.6 Ų27.629%0.28915%0.146SC..EExtended strand (participates in β ladder)trans-71.9134.6177.400000111.5L254A111-L254 HydrophobicContact CB-CD1 4.36Å
112P97Very high96.9Very high59 Ų5928.6 Ų28.638%0.38315%0.151SC..EExtended strand (participates in β ladder)trans-75169.4167.834.1-34.6000111R117 C245P112-R117 CarbonylContact C-O 3.55Å; P112-R117 VanDerWaalsContact CA-O 3.22Å; P112-R117 WeakPolarHBondContact CA-O 3.46Å; P112-R117 VanDerWaalsContact CB-O 3.32Å; P112-R117 WeakPolarHBondContact CB-O 3.42Å; P112-C245 PolarHBondContact O-SG 3.2Å
113D97.8Very high97Very high4 Ų427.1 Ų27.12%0.02114%0.144CC..  trans-73.517616571.125.3000112.6H115 G116 R117 I119 T160 I241D113-H115 PolarHBondContact O-N 3.13Å; D113-H115 WeakPolarHBondContact OD1-CA 3.44Å; D113-H115 WeakPolarHBondContact OD1-CB 2.95Å; D113-H115 PolarHBondContact OD1-N 3.27Å; D113-G116 PolarHBondContact O-N 3.19Å; D113-R117 PolarHBondContact N-O 2.94Å; D113-R117 WeakPolarHBondContact OD1-CB 3.43Å; D113-R117 PolarHBondContact OD1-N 3.38Å; D113-R117 VanDerWaalsContact OD1-N 3.08Å; D113-R117 IonicContact OD1-NE 3.48Å; D113-R117 PolarHBondContact OD1-NE 2.79Å; D113-R117 IonicContact OD1-NH2 2.94Å; D113-R117 WeakPolarHBondContact OD2-CB 3.5Å; D113-R117 IonicContact OD2-CZ 2.85Å; D113-R117 IonicContact OD2-NE 3.23Å; D113-R117 PolarHBondContact OD2-NE 3.41Å; D113-R117 IonicContact OD2-NH2 3.34Å; D113-R117 PolarHBondContact OD2-NH2 3.25Å; D113-I119 HydrophobicContact CB-CD1 3.89Å; D113-I119 HydrophobicContact CB-CG1 4.08Å; D113-T160 PolarHBondContact OD2-OG1 3.04Å; D113-I241 HydrophobicContact CB-CG2 4.1Å
114Q97.1Very high97Very high59 Ų5926.4 Ų26.428%0.27614%0.142SC..THydrogen-bonded Turntrans-62.4-5.5-177.675.1-79.9-000115.2L240 Q242Q114-L240 PolarHBondContact NE2-O 3.48Å; Q114-Q242 HydrophobicContact CB-CB 4.48Å; Q114-Q242 VanDerWaalsContact CB-CD 3.47Å; Q114-Q242 HydrophobicContact CB-CG 3.99Å; Q114-Q242 HydrophobicContact CG-CG 4.09Å
115H96.4Very high96.9Very high99 Ų9928.5 Ų28.546%0.45816%0.156SC..THydrogen-bonded Turntrans-109.311.8175.2-59.3-63.7000112.8K16 D113 R117K16-H115 PolarHBondContact NZ-O 3.01Å; D113-H115 PolarHBondContact O-N 3.13Å; D113-H115 WeakPolarHBondContact OD1-CA 3.44Å; D113-H115 WeakPolarHBondContact OD1-CB 2.95Å; D113-H115 PolarHBondContact OD1-N 3.27Å; H115-R117 VanDerWaalsContact C-N 3.27Å; H115-R117 HydrophobicContact CB-CG 4.19Å; H115-R117 PolarHBondContact O-N 2.99Å
116G96.9Very high96.7Very high23 Ų2331 Ų3124%0.23717%0.17CC..SBendtrans75.412.5-177.600000113.6D113 N157D113-G116 PolarHBondContact O-N 3.19Å; G116-N157 WeakPolarHBondContact O-CB 3.44Å
117R98.4Very high96.6Very high32 Ų3231.8 Ų31.812%0.12117%0.173CC..PPolyproline II helixtrans-83.2136.9-178-54.1175.7-69.9-174.414.2109.8P112 D113 H115 N157 G158 T160P112-R117 CarbonylContact C-O 3.55Å; P112-R117 VanDerWaalsContact CA-O 3.22Å; P112-R117 WeakPolarHBondContact CA-O 3.46Å; P112-R117 VanDerWaalsContact CB-O 3.32Å; P112-R117 WeakPolarHBondContact CB-O 3.42Å; D113-R117 PolarHBondContact N-O 2.94Å; D113-R117 WeakPolarHBondContact OD1-CB 3.43Å; D113-R117 PolarHBondContact OD1-N 3.38Å; D113-R117 VanDerWaalsContact OD1-N 3.08Å; D113-R117 IonicContact OD1-NE 3.48Å; D113-R117 PolarHBondContact OD1-NE 2.79Å; D113-R117 IonicContact OD1-NH2 2.94Å; D113-R117 WeakPolarHBondContact OD2-CB 3.5Å; D113-R117 IonicContact OD2-CZ 2.85Å; D113-R117 IonicContact OD2-NE 3.23Å; D113-R117 PolarHBondContact OD2-NE 3.41Å; D113-R117 IonicContact OD2-NH2 3.34Å; D113-R117 PolarHBondContact OD2-NH2 3.25Å; H115-R117 VanDerWaalsContact C-N 3.27Å; H115-R117 HydrophobicContact CB-CG 4.19Å; H115-R117 PolarHBondContact O-N 2.99Å; R117-N157 WeakPolarHBondContact CG-O 3.12Å; R117-G158 VanDerWaalsContact CA-O 3.25Å; R117-G158 WeakPolarHBondContact CA-O 3.48Å; R117-G158 WeakPolarHBondContact CB-O 3.48Å; R117-T160 PolarHBondContact NE-OG1 3.48Å; R117-T160 PolarHBondContact NH2-OG1 2.96Å
118K98.4Very high96.3Very high36 Ų3635.1 Ų35.116%0.15719%0.191CC..EExtended strand (participates in β ladder)trans-73.1130.9174.2-176.165.177.41720109.9V108 L109 E110 L120 L148 L154 G158 F159 T160V108-K118 HydrophobicContact CG1-CD 3.76Å; V108-K118 HydrophobicContact CG1-CG 3.96Å; L109-K118 WeakPolarHBondContact O-CD 3.24Å; L109-K118 PolarHBondContact O-NZ 2.84Å; E110-K118 PolarHBondContact O-NZ 3.35Å; K118-L120 HydrophobicContact CG-CD1 4.47Å; K118-L148 HydrophobicContact CG-CD1 4.16Å; K118-L148 HydrophobicContact CG-CD2 4.14Å; K118-L154 HydrophobicContact CB-CD1 3.78Å; K118-L154 HydrophobicContact CB-CD2 3.74Å; K118-L154 HydrophobicContact CB-CG 4.43Å; K118-L154 HydrophobicContact CG-CD1 4.24Å; K118-G158 PolarHBondContact N-O 2.95Å; K118-G158 VanDerWaalsContact N-O 3.07Å; K118-F159 HydrophobicContact CB-CD1 3.89Å; K118-F159 HydrophobicContact CB-CE1 4.11Å; K118-F159 HydrophobicContact CG-CD1 4.49Å; K118-F159 CarbonylContact O-C 3.57Å; K118-F159 VanDerWaalsContact O-CA 3.28Å; K118-F159 WeakPolarHBondContact O-CA 3.47Å; K118-T160 PolarHBondContact O-N 3.41Å
119I98.8Very high95.9Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-94.4120.7-177.7-55.8166.4000109.2L109 D113 I121 T160 I162 I241 C245 L246L109-I119 HydrophobicContact CB-CB 4.21Å; L109-I119 HydrophobicContact CD1-CB 3.96Å; L109-I119 HydrophobicContact CD1-CD1 3.89Å; L109-I119 HydrophobicContact CD1-CG2 3.92Å; L109-I119 HydrophobicContact CG-CB 4.17Å; L109-I119 HydrophobicContact CG-CG2 4.26Å; L109-I119 PolarHBondContact N-O 3.37Å; D113-I119 HydrophobicContact CB-CD1 3.89Å; D113-I119 HydrophobicContact CB-CG1 4.08Å; I119-I121 HydrophobicContact CG2-CG1 4.15Å; I119-T160 CarbonylContact C-O 3.56Å; I119-T160 WeakPolarHBondContact CA-O 3.43Å; I119-I162 HydrophobicContact CG2-CD1 3.74Å; I119-I162 HydrophobicContact CG2-CG1 4.09Å; I119-I241 HydrophobicContact CD1-CG2 4.35Å; I119-C245 HydrophobicContact CD1-CB 4.09Å; I119-L246 HydrophobicContact CD1-CD2 4.4Å
120L98.7Very high95.6Very high2 Ų242.6 Ų42.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-99.5141168.2-76.473.4000109P106 G107 V108 K118 L145 L148 F159 T160 L161 I162P106-L120 HydrophobicContact CB-CD2 4.3Å; P106-L120 HydrophobicContact CG-CD2 4.21Å; G107-L120 CarbonylContact O-C 3.57Å; G107-L120 WeakPolarHBondContact O-CA 3.47Å; V108-L120 HydrophobicContact CG2-CG 4.34Å; K118-L120 HydrophobicContact CG-CD1 4.47Å; L120-L145 HydrophobicContact CD1-CD2 4.42Å; L120-L145 HydrophobicContact CD2-CD2 3.89Å; L120-L145 HydrophobicContact CD2-CG 4.29Å; L120-L148 HydrophobicContact CD1-CD1 4.16Å; L120-F159 HydrophobicContact CD1-CB 4.43Å; L120-F159 HydrophobicContact CD1-CD1 3.65Å; L120-F159 HydrophobicContact CD1-CE1 4.42Å; L120-F159 HydrophobicContact CD1-CG 4.44Å; L120-T160 PolarHBondContact N-O 3.15Å; L120-L161 HydrophobicContact CB-CD1 3.9Å; L120-L161 WeakPolarHBondContact O-CA 3.42Å; L120-I162 PolarHBondContact O-N 3.45Å
121I98.3Very high95.4Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-124.6139-179.5-57.1165.1000109.9G107 L109 I119 F123 I162 P247 F250G107-I121 PolarHBondContact N-O 3.36Å; G107-I121 PolarHBondContact O-N 2.87Å; L109-I121 HydrophobicContact CD1-CD1 3.88Å; L109-I121 HydrophobicContact CD2-CD1 3.41Å; L109-I121 VanDerWaalsContact CD2-CD1 3.41Å; L109-I121 HydrophobicContact CG-CD1 3.55Å; L109-I121 HydrophobicContact CG-CG1 4.36Å; I119-I121 HydrophobicContact CG2-CG1 4.15Å; I121-F123 HydrophobicContact CB-CE2 4.37Å; I121-F123 HydrophobicContact CG2-CD2 3.82Å; I121-F123 HydrophobicContact CG2-CE1 4.46Å; I121-F123 HydrophobicContact CG2-CE2 3.39Å; I121-F123 HydrophobicContact CG2-CZ 3.78Å; I121-I162 CarbonylContact C-O 3.57Å; I121-I162 WeakPolarHBondContact CA-O 3.48Å; I121-I162 HydrophobicContact CG1-CB 4.5Å; I121-P247 HydrophobicContact CD1-CG 4.18Å; I121-F250 HydrophobicContact CD1-CE2 3.88Å; I121-F250 HydrophobicContact CG1-CE2 4.24Å; I121-F250 HydrophobicContact CG2-CE2 3.69Å; I121-F250 HydrophobicContact CG2-CZ 3.56Å
122L97.9Very high95.4Very high21 Ų2139.5 Ų39.511%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-126115170.9-61176.6000109.3F105 P106 A124 I141 L161 I162 I163 D164F105-L122 HydrophobicContact CD1-CD2 3.94Å; P106-L122 HydrophobicContact CB-CD2 3.83Å; L122-A124 PolarHBondContact O-N 3.29Å; L122-I141 HydrophobicContact CD1-CD1 4.16Å; L122-I141 HydrophobicContact CD2-CD1 4.04Å; L122-I141 HydrophobicContact CD2-CG1 4.41Å; L122-L161 HydrophobicContact CD1-CD1 4.01Å; L122-L161 HydrophobicContact CG-CD1 4.01Å; L122-I162 PolarHBondContact N-O 3.06Å; L122-I163 HydrophobicContact CB-CG1 4.47Å; L122-I163 HydrophobicContact CB-CG2 4.04Å; L122-I163 HydrophobicContact CD1-CD1 4.34Å; L122-I163 HydrophobicContact CD1-CG1 4.27Å; L122-I163 CarbonylContact O-C 3.22Å; L122-I163 WeakPolarHBondContact O-CA 3.42Å; L122-D164 PolarHBondContact O-N 2.93Å
123F96.8Very high95.3Very high10 Ų1039.1 Ų39.14%0.04421%0.21CC..EExtended strand (participates in β ladder)trans-89.196.4169.1-65.6-85.1000108.9F105 I121 S125 N126 D164 E249 F250 Y257 M259F105-F123 WeakPolarHBondContact CE1-O 3.38Å; F105-F123 WeakPolarHBondContact CZ-O 3.33Å; I121-F123 HydrophobicContact CB-CE2 4.37Å; I121-F123 HydrophobicContact CG2-CD2 3.82Å; I121-F123 HydrophobicContact CG2-CE1 4.46Å; I121-F123 HydrophobicContact CG2-CE2 3.39Å; I121-F123 HydrophobicContact CG2-CZ 3.78Å; F123-S125 PolarHBondContact O-N 2.79Å; F123-S125 VanDerWaalsContact O-N 3.15Å; F123-N126 WeakPolarHBondContact O-CB 3.38Å; F123-N126 PolarHBondContact O-N 3.44Å; F123-D164 HydrophobicContact CD1-CB 3.87Å; F123-D164 HydrophobicContact CE1-CB 4.32Å; F123-E249 HydrophobicContact CE1-CB 4.07Å; F123-E249 HydrophobicContact CE1-CG 4.12Å; F123-E249 HydrophobicContact CZ-CB 4.34Å; F123-E249 HydrophobicContact CZ-CG 4.28Å; F123-F250 HydrophobicContact CE1-CE2 4.13Å; F123-F250 AromaticContact CE1-CZ 3.74Å; F123-F250 HydrophobicContact CE1-CZ 3.74Å; F123-F250 AromaticContact CZ-CE2 3.81Å; F123-F250 HydrophobicContact CZ-CE2 3.81Å; F123-F250 AromaticContact CZ-CZ 3.83Å; F123-F250 HydrophobicContact CZ-CZ 3.83Å; F123-Y257 HydrophobicContact CE2-CD1 4.04Å; F123-M259 HydrophobicContact CD1-CE 4.43Å; F123-M259 HydrophobicContact CD2-CE 3.42Å; F123-M259 VanDerWaalsContact CD2-CE 3.42Å; F123-M259 HydrophobicContact CD2-SD 3.48Å; F123-M259 WeakPolarHBondContact CD2-SD 3.25Å; F123-M259 HydrophobicContact CE1-CE 4.4Å; F123-M259 HydrophobicContact CE2-CE 3.38Å; F123-M259 HydrophobicContact CE2-SD 3.75Å; F123-M259 HydrophobicContact CG-CE 3.96Å; F123-M259 HydrophobicContact CG-SD 4.34Å; F123-M259 HydrophobicContact CZ-CE 3.89Å
124A94.9Very high95.2Very high12 Ų1240.7 Ų40.710%0.09922%0.217CC..G310 helixtrans-62.5-27-170.600000113.1L122 N126 W127 D164 F168L122-A124 PolarHBondContact O-N 3.29Å; A124-N126 PolarHBondContact O-N 3.32Å; A124-W127 WeakPolarHBondContact O-CB 3.39Å; A124-W127 PolarHBondContact O-N 3.38Å; A124-D164 WeakPolarHBondContact CB-O 3.32Å; A124-D164 PolarHBondContact N-O 2.8Å; A124-F168 HydrophobicContact CB-CB 4.03Å; A124-F168 HydrophobicContact CB-CD1 4.47Å; A124-F168 HydrophobicContact CB-CD2 3.64Å; A124-F168 HydrophobicContact CB-CE2 4.16Å; A124-F168 HydrophobicContact CB-CG 3.81Å; A124-F168 WeakPolarHBondContact O-CD2 3.23Å
125S92.8Very high95.2Very high43 Ų4340 Ų4030%0.30121%0.214SC..G310 helixtrans-59.7-29173.549.30000113.8F123 W127 S166F123-S125 PolarHBondContact O-N 2.79Å; F123-S125 VanDerWaalsContact O-N 3.15Å; S125-W127 PolarHBondContact O-N 2.95Å; S125-S166 VanDerWaalsContact CB-O 3.32Å; S125-S166 WeakPolarHBondContact CB-O 3.38Å
126N92.5Very high95.2Very high58 Ų5836.8 Ų36.831%0.3120%0.2SC..G310 helixtrans-72.7-7.8-177.7-63.95.4000112.1F105 F123 A124 D128F105-N126 HydrophobicContact CE2-CB 3.85Å; F105-N126 VanDerWaalsContact CZ-C 3.5Å; F105-N126 HydrophobicContact CZ-CB 3.6Å; F123-N126 WeakPolarHBondContact O-CB 3.38Å; F123-N126 PolarHBondContact O-N 3.44Å; A124-N126 PolarHBondContact O-N 3.32Å; N126-D128 PolarHBondContact O-N 2.76Å
127W94.9Very high95.2Very high18 Ų1836.1 Ų36.17%0.06819%0.191CC..  trans-75.691.6-176.2-178.728.3000111.1F105 A124 S125 Q129 N132 F134 I137 F168 Q172 K175 L176F105-W127 HydrophobicContact CE2-CB 4.27Å; F105-W127 HydrophobicContact CZ-CB 3.85Å; A124-W127 WeakPolarHBondContact O-CB 3.39Å; A124-W127 PolarHBondContact O-N 3.38Å; S125-W127 PolarHBondContact O-N 2.95Å; W127-Q129 HydrophobicContact CD2-CG 3.99Å; W127-Q129 HydrophobicContact CG-CG 4.49Å; W127-Q129 HydrophobicContact CH2-CG 4.17Å; W127-Q129 HydrophobicContact CZ2-CG 3.62Å; W127-N132 PolarHBondContact NE1-O 3.13Å; W127-F134 HydrophobicContact CH2-CB 4.32Å; W127-F134 HydrophobicContact CH2-CD2 4.43Å; W127-F134 HydrophobicContact CZ2-CB 3.87Å; W127-I137 HydrophobicContact CB-CD1 4.42Å; W127-I137 HydrophobicContact CD2-CD1 4.38Å; W127-I137 HydrophobicContact CG-CD1 3.82Å; W127-F168 AromaticContact CE3-CE2 3.84Å; W127-F168 HydrophobicContact CE3-CE2 3.84Å; W127-F168 HydrophobicContact CE3-CZ 4.05Å; W127-F168 HydrophobicContact CZ3-CE2 4.37Å; W127-F168 HydrophobicContact CZ3-CZ 4.16Å; W127-Q172 HydrophobicContact CE3-CB 4.38Å; W127-Q172 HydrophobicContact CZ3-CB 4.49Å; W127-Q172 PolarHBondContact O-NE2 2.88Å; W127-K175 HydrophobicContact CH2-CB 4.02Å; W127-L176 HydrophobicContact CH2-CD2 3.75Å; W127-L176 HydrophobicContact CH2-CG 4.36Å; W127-L176 HydrophobicContact CZ3-CD2 3.66Å; W127-L176 HydrophobicContact CZ3-CG 4Å
128D92.4Very high95.1Very high70 Ų7034.7 Ų34.737%0.37419%0.186SC..  trans-84.2106.9165.5-174.6-8000110.4N126 S130 R131 N132N126-D128 PolarHBondContact O-N 2.76Å; D128-S130 VanDerWaalsContact CG-OG 3.24Å; D128-S130 PolarHBondContact O-N 3.38Å; D128-S130 WeakPolarHBondContact OD1-CB 3.44Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 PolarHBondContact OD1-OG 2.93Å; D128-S130 PolarHBondContact OD2-OG 3.46Å; D128-R131 HydrophobicContact CB-CB 4.25Å; D128-R131 HydrophobicContact CB-CG 4.27Å; D128-R131 PolarHBondContact O-N 3.44Å; D128-R131 WeakPolarHBondContact OD2-CD 3.43Å; D128-R131 WeakPolarHBondContact OD2-CG 3.49Å; D128-N132 PolarHBondContact O-N 2.87Å
129Q88.7Confident95.1Very high66 Ų6634 Ų3431%0.30818%0.182SC..THydrogen-bonded Turntrans-67.4-18.2-178.5-66.3174.6-2.600113.9W127 R131 Q172W127-Q129 HydrophobicContact CD2-CG 3.99Å; W127-Q129 HydrophobicContact CG-CG 4.49Å; W127-Q129 HydrophobicContact CH2-CG 4.17Å; W127-Q129 HydrophobicContact CZ2-CG 3.62Å; Q129-R131 VanDerWaalsContact C-N 3.29Å; Q129-Q172 VanDerWaalsContact NE2-CA 3.33Å; Q129-Q172 PolarHBondContact NE2-O 3.32Å
130S90.9Very high95.1Very high104 Ų10434 Ų3473%0.72718%0.182SC*.THydrogen-bonded Turntrans-77-21.2173.673.20000112.1D128D128-S130 VanDerWaalsContact CG-OG 3.24Å; D128-S130 PolarHBondContact O-N 3.38Å; D128-S130 WeakPolarHBondContact OD1-CB 3.44Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 PolarHBondContact OD1-OG 2.93Å; D128-S130 PolarHBondContact OD2-OG 3.46Å
131R91.8Very high95.1Very high113 Ų11334.8 Ų34.843%0.42619%0.187SC..THydrogen-bonded Turntrans-102.5-42.4-176.6-67-175.962-159.7-14.1112.8R99 D103 D128 Q129R99-R131 WeakPolarHBondContact CD-O 3.08Å; R99-R131 PolarHBondContact NH1-O 3.27Å; D103-R131 VanDerWaalsContact CG-NH2 3.32Å; D103-R131 IonicContact OD1-CZ 3.5Å; D103-R131 VanDerWaalsContact OD1-CZ 3.29Å; D103-R131 IonicContact OD1-NH1 2.67Å; D103-R131 PolarHBondContact OD1-NH1 3.37Å; D103-R131 IonicContact OD1-NH2 3.26Å; D103-R131 PolarHBondContact OD1-NH2 3.24Å; D103-R131 IonicContact OD2-CZ 2.74Å; D103-R131 IonicContact OD2-NE 2.72Å; D103-R131 IonicContact OD2-NH1 2.61Å; D103-R131 IonicContact OD2-NH2 3.29Å; D103-R131 PolarHBondContact OD2-NH2 2.88Å; D103-R131 VanDerWaalsContact OD2-NH2 3.08Å; D128-R131 HydrophobicContact CB-CB 4.25Å; D128-R131 HydrophobicContact CB-CG 4.27Å; D128-R131 PolarHBondContact O-N 3.44Å; D128-R131 WeakPolarHBondContact OD2-CD 3.43Å; D128-R131 WeakPolarHBondContact OD2-CG 3.49Å; Q129-R131 VanDerWaalsContact C-N 3.29Å
132N92.6Very high95.1Very high1 Ų135 Ų351%0.00519%0.187CC..  trans-130.4125.6-178-56.8-65.1000110.7R99 A100 D103 W127 D128 D136 I137R99-N132 WeakPolarHBondContact CD-OD1 3.41Å; R99-N132 WeakPolarHBondContact CG-OD1 3.44Å; A100-N132 PolarHBondContact N-OD1 3.44Å; D103-N132 PolarHBondContact OD2-ND2 3.38Å; W127-N132 PolarHBondContact NE1-O 3.13Å; D128-N132 PolarHBondContact O-N 2.87Å; N132-D136 HydrophobicContact CB-CB 4.46Å; N132-I137 HydrophobicContact CB-CG1 4.31Å
133S95.1Very high95.1Very high50 Ų5034 Ų3435%0.3518%0.182SC..  trans-67.2158.2163.690.30000109.6I135 D136 I137S133-I135 PolarHBondContact O-N 3.11Å; S133-I135 WeakPolarHBondContact OG-CB 3.31Å; S133-I135 PolarHBondContact OG-N 2.72Å; S133-D136 WeakPolarHBondContact CB-OD2 3.44Å; S133-D136 PolarHBondContact N-OD2 3.31Å; S133-D136 WeakPolarHBondContact O-CB 3.49Å; S133-D136 PolarHBondContact O-N 3.28Å; S133-D136 VanDerWaalsContact O-N 3.16Å; S133-D136 PolarHBondContact OG-N 2.83Å; S133-D136 PolarHBondContact OG-OD1 3.2Å; S133-D136 PolarHBondContact OG-OD2 3.22Å; S133-I137 PolarHBondContact O-N 3.44Å
134F95.3Very high95.2Very high38 Ų3833.5 Ų33.517%0.16718%0.18CC..Hα-helixtrans-64.5-26.9172.4-178.7-86.8000111.7W127 D136 I137 L138 L176 I180 A184W127-F134 HydrophobicContact CH2-CB 4.32Å; W127-F134 HydrophobicContact CH2-CD2 4.43Å; W127-F134 HydrophobicContact CZ2-CB 3.87Å; F134-D136 VanDerWaalsContact C-N 3.35Å; F134-I137 PolarHBondContact O-N 2.88Å; F134-L138 WeakPolarHBondContact O-CB 3.16Å; F134-L138 PolarHBondContact O-N 2.78Å; F134-L176 HydrophobicContact CD2-CD2 3.37Å; F134-L176 HydrophobicContact CE2-CD2 3.48Å; F134-L176 VanDerWaalsContact CE2-CD2 3.48Å; F134-L176 HydrophobicContact CG-CD2 4.15Å; F134-L176 HydrophobicContact CZ-CD2 4.33Å; F134-I180 HydrophobicContact CB-CD1 3.73Å; F134-I180 HydrophobicContact CD1-CB 4.42Å; F134-I180 HydrophobicContact CD1-CD1 3.64Å; F134-I180 HydrophobicContact CD1-CG1 3.55Å; F134-I180 HydrophobicContact CD1-CG2 4.11Å; F134-I180 HydrophobicContact CE1-CG1 4.11Å; F134-I180 HydrophobicContact CE1-CG2 4.3Å; F134-I180 HydrophobicContact CG-CD1 4.04Å; F134-I180 HydrophobicContact CG-CG1 4.39Å; F134-A184 HydrophobicContact CE1-CB 3.94Å; F134-A184 HydrophobicContact CZ-CB 4.12Å
135I96Very high95.4Very high45 Ų4533 Ų3323%0.23118%0.176CC..Hα-helixtrans-66.4-39.7173.7-60.9-59.3000110.3M86 S133 I137 L138 R139 I180 L183M86-I135 HydrophobicContact CG-CG2 4.01Å; M86-I135 HydrophobicContact SD-CG2 4.37Å; S133-I135 PolarHBondContact O-N 3.11Å; S133-I135 WeakPolarHBondContact OG-CB 3.31Å; S133-I135 PolarHBondContact OG-N 2.72Å; I135-I137 VanDerWaalsContact C-N 3.3Å; I135-I137 PolarHBondContact O-N 3.34Å; I135-L138 PolarHBondContact O-N 2.76Å; I135-L138 VanDerWaalsContact O-N 3.14Å; I135-R139 HydrophobicContact CG2-CG 4.27Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 VanDerWaalsContact O-CG 3.26Å; I135-R139 WeakPolarHBondContact O-CG 3.4Å; I135-R139 PolarHBondContact O-N 3.11Å; I135-I180 HydrophobicContact CD1-CD1 3.94Å; I135-I180 HydrophobicContact CD1-CG1 3.86Å; I135-I180 HydrophobicContact CG1-CD1 4.14Å; I135-L183 HydrophobicContact CD1-CD2 3.48Å; I135-L183 VanDerWaalsContact CD1-CD2 3.48Å
136D96.4Very high95.6Very high30 Ų3031.6 Ų31.616%0.1617%0.165CC..Hα-helixtrans-61.7-42.8178-49.8-15000110.3N132 S133 F134 R139 A140N132-D136 HydrophobicContact CB-CB 4.46Å; S133-D136 WeakPolarHBondContact CB-OD2 3.44Å; S133-D136 PolarHBondContact N-OD2 3.31Å; S133-D136 WeakPolarHBondContact O-CB 3.49Å; S133-D136 PolarHBondContact O-N 3.28Å; S133-D136 VanDerWaalsContact O-N 3.16Å; S133-D136 PolarHBondContact OG-N 2.83Å; S133-D136 PolarHBondContact OG-OD1 3.2Å; S133-D136 PolarHBondContact OG-OD2 3.22Å; F134-D136 VanDerWaalsContact C-N 3.35Å; D136-R139 WeakPolarHBondContact O-CB 3.46Å; D136-R139 PolarHBondContact O-N 3.07Å; D136-A140 PolarHBondContact O-N 2.66Å
137I97.5Very high95.8Very high10 Ų1030.3 Ų30.35%0.05116%0.159CC..Hα-helixtrans-61.7-46.5173.5-68.6171.8000111F105 W127 N132 S133 F134 I135 R139 A140 I141F105-I137 HydrophobicContact CB-CB 4.42Å; F105-I137 HydrophobicContact CB-CG1 3.97Å; F105-I137 HydrophobicContact CB-CG2 4.03Å; F105-I137 HydrophobicContact CD1-CD1 4.35Å; F105-I137 HydrophobicContact CD1-CG2 4.34Å; F105-I137 HydrophobicContact CD2-CD1 3.98Å; F105-I137 HydrophobicContact CD2-CG1 4.06Å; F105-I137 HydrophobicContact CE2-CD1 4.21Å; F105-I137 HydrophobicContact CG-CD1 4.05Å; F105-I137 HydrophobicContact CG-CG1 3.95Å; F105-I137 HydrophobicContact CG-CG2 4.3Å; F105-I137 HydrophobicContact CZ-CD1 4.49Å; W127-I137 HydrophobicContact CB-CD1 4.42Å; W127-I137 HydrophobicContact CD2-CD1 4.38Å; W127-I137 HydrophobicContact CG-CD1 3.82Å; N132-I137 HydrophobicContact CB-CG1 4.31Å; S133-I137 PolarHBondContact O-N 3.44Å; F134-I137 PolarHBondContact O-N 2.88Å; I135-I137 VanDerWaalsContact C-N 3.3Å; I135-I137 PolarHBondContact O-N 3.34Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.86Å; I137-A140 PolarHBondContact O-N 2.84Å; I137-I141 HydrophobicContact CG2-CD1 3.79Å; I137-I141 HydrophobicContact CG2-CG1 4.44Å; I137-I141 VanDerWaalsContact O-CG1 3.29Å; I137-I141 WeakPolarHBondContact O-CG1 3.2Å; I137-I141 PolarHBondContact O-N 3.34Å
138L97.6Very high95.9Very high2 Ų230.1 Ų30.11%0.0116%0.159CC..Hα-helixtrans-63-40.1178.4-179.559.6000111.7M86 F134 I135 I141 L142 L183 A184 L188M86-L138 HydrophobicContact SD-CD2 3.79Å; M86-L138 HydrophobicContact SD-CG 4.14Å; F134-L138 WeakPolarHBondContact O-CB 3.16Å; F134-L138 PolarHBondContact O-N 2.78Å; I135-L138 PolarHBondContact O-N 2.76Å; I135-L138 VanDerWaalsContact O-N 3.14Å; L138-I141 PolarHBondContact O-N 3.23Å; L138-L142 HydrophobicContact CD1-CD1 4.21Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 4.06Å; L138-L142 HydrophobicContact CG-CG 4.48Å; L138-L142 WeakPolarHBondContact O-CB 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.09Å; L138-L142 PolarHBondContact O-N 2.97Å; L138-L183 HydrophobicContact CD2-CD2 4.34Å; L138-L183 HydrophobicContact CD2-CG 4.24Å; L138-A184 HydrophobicContact CD1-CB 4Å; L138-A184 HydrophobicContact CD2-CB 4.06Å; L138-L188 HydrophobicContact CD1-CG 4.49Å
139R97.9Very high96.1Very high20 Ų2026.8 Ų26.88%0.07514%0.141CC..Hα-helixtrans-58.3-49.3174-72.5170.459.6130.12.7110.7D85 M86 Q88 F90 D94 I97 I135 D136 I137 I141 L142 L143D85-R139 PolarHBondContact O-NH1 2.83Å; M86-R139 HydrophobicContact CG-CG 3.43Å; M86-R139 VanDerWaalsContact CG-CG 3.43Å; M86-R139 WeakPolarHBondContact O-CD 3.39Å; M86-R139 VanDerWaalsContact O-CG 3.28Å; M86-R139 WeakPolarHBondContact O-CG 3.38Å; M86-R139 PolarHBondContact O-NE 3.28Å; M86-R139 PolarHBondContact O-NH1 2.93Å; Q88-R139 PolarHBondContact O-NH2 2.97Å; F90-R139 HydrophobicContact CE2-CB 4.25Å; F90-R139 WeakPolarHBondContact CE2-O 3.3Å; D94-R139 IonicContact OD1-NH2 3.66Å; D94-R139 IonicContact OD2-NH2 3.34Å; I97-R139 HydrophobicContact CD1-CB 4.12Å; I97-R139 HydrophobicContact CG1-CB 3.86Å; I135-R139 HydrophobicContact CG2-CG 4.27Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 VanDerWaalsContact O-CG 3.26Å; I135-R139 WeakPolarHBondContact O-CG 3.4Å; I135-R139 PolarHBondContact O-N 3.11Å; D136-R139 WeakPolarHBondContact O-CB 3.46Å; D136-R139 PolarHBondContact O-N 3.07Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.86Å; R139-I141 PolarHBondContact O-N 2.78Å; R139-L142 PolarHBondContact O-N 3.35Å; R139-L143 WeakPolarHBondContact O-CB 3.41Å; R139-L143 PolarHBondContact O-N 3.01Å
140A98.1Very high96.4Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-63.6-38.2178.700000112.9I97 A100 L101 F105 D136 I137 S144I97-A140 HydrophobicContact CG2-CB 4.26Å; A100-A140 HydrophobicContact CB-CB 3.83Å; L101-A140 HydrophobicContact CD2-CB 4.05Å; L101-A140 HydrophobicContact CG-CB 4.03Å; F105-A140 WeakPolarHBondContact O-CB 3.34Å; D136-A140 PolarHBondContact O-N 2.66Å; I137-A140 PolarHBondContact O-N 2.84Å; A140-S144 WeakPolarHBondContact O-CB 3.23Å; A140-S144 PolarHBondContact O-N 3.06Å; A140-S144 PolarHBondContact O-OG 3.46Å
141I98.4Very high96.6Very high20 Ų2025.5 Ų25.510%0.10313%0.126CC..Hα-helixtrans-63.9-49.1173.8-67.4166.5000110.8P106 L122 I137 L138 R139 L143 S144 L145 L188P106-I141 HydrophobicContact CB-CG1 4.16Å; P106-I141 HydrophobicContact CG-CG1 4.06Å; L122-I141 HydrophobicContact CD1-CD1 4.16Å; L122-I141 HydrophobicContact CD2-CD1 4.04Å; L122-I141 HydrophobicContact CD2-CG1 4.41Å; I137-I141 HydrophobicContact CG2-CD1 3.79Å; I137-I141 HydrophobicContact CG2-CG1 4.44Å; I137-I141 VanDerWaalsContact O-CG1 3.29Å; I137-I141 WeakPolarHBondContact O-CG1 3.2Å; I137-I141 PolarHBondContact O-N 3.34Å; L138-I141 PolarHBondContact O-N 3.23Å; R139-I141 PolarHBondContact O-N 2.78Å; I141-L143 VanDerWaalsContact C-N 3.32Å; I141-L143 PolarHBondContact O-N 3.41Å; I141-S144 PolarHBondContact O-N 2.9Å; I141-L145 HydrophobicContact CG2-CD1 4.02Å; I141-L145 WeakPolarHBondContact O-CG 3.37Å; I141-L145 PolarHBondContact O-N 3.43Å; I141-L188 HydrophobicContact CG2-CD2 3.96Å
142L98.3Very high96.8Very high3 Ų322 Ų222%0.01612%0.118CC..Hα-helixtrans-62.3-40.8179.4-70.9170.8000111.2F79 M86 F87 F90 L138 R139 L145 E146 L188 F192F79-L142 HydrophobicContact CE1-CD1 4.48Å; M86-L142 HydrophobicContact CE-CD1 3.81Å; M86-L142 HydrophobicContact SD-CD1 4.36Å; F87-L142 HydrophobicContact CE1-CD1 4.21Å; F87-L142 HydrophobicContact CZ-CD1 4.09Å; F90-L142 HydrophobicContact CE2-CB 4.38Å; F90-L142 HydrophobicContact CZ-CB 3.82Å; L138-L142 HydrophobicContact CD1-CD1 4.21Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 4.06Å; L138-L142 HydrophobicContact CG-CG 4.48Å; L138-L142 WeakPolarHBondContact O-CB 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.09Å; L138-L142 PolarHBondContact O-N 2.97Å; R139-L142 PolarHBondContact O-N 3.35Å; L142-L145 PolarHBondContact O-N 2.96Å; L142-E146 WeakPolarHBondContact O-CG 3.27Å; L142-E146 PolarHBondContact O-N 3.47Å; L142-L188 HydrophobicContact CD2-CD2 3.95Å; L142-F192 HydrophobicContact CD2-CD2 4.25Å
143L98.4Very high97Very high1 Ų123.8 Ų23.81%0.00513%0.126CC..Hα-helixtrans-64.8-44.1177.6-175.8118.9000111F90 V92 I97 L101 R139 I141 L145 E146 V147 L266F90-L143 HydrophobicContact CD1-CD1 3.97Å; F90-L143 HydrophobicContact CE1-CB 3.95Å; F90-L143 HydrophobicContact CE1-CD1 4.01Å; F90-L143 HydrophobicContact CE1-CG 4.39Å; F90-L143 HydrophobicContact CE2-CB 4.12Å; F90-L143 HydrophobicContact CG-CD1 4.27Å; F90-L143 HydrophobicContact CZ-CB 3.64Å; F90-L143 HydrophobicContact CZ-CD1 4.34Å; F90-L143 VanDerWaalsContact CZ-N 3.29Å; V92-L143 HydrophobicContact CB-CD2 4.29Å; I97-L143 HydrophobicContact CD1-CD1 4.33Å; I97-L143 HydrophobicContact CG2-CD2 4.02Å; L101-L143 HydrophobicContact CD1-CD2 4.36Å; R139-L143 WeakPolarHBondContact O-CB 3.41Å; R139-L143 PolarHBondContact O-N 3.01Å; I141-L143 VanDerWaalsContact C-N 3.32Å; I141-L143 PolarHBondContact O-N 3.41Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 3.1Å; L143-E146 PolarHBondContact O-N 3.04Å; L143-V147 PolarHBondContact O-N 3.38Å; L143-V147 VanDerWaalsContact O-N 3.08Å; L143-L266 HydrophobicContact CD2-CD1 4.15Å
144S98.6Very high97.1Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-59-42.2175.4-58.90000111.4P106 A140 I141 V147 L148 W262P106-S144 WeakPolarHBondContact CD-OG 3.48Å; P106-S144 WeakPolarHBondContact CG-OG 3.36Å; A140-S144 WeakPolarHBondContact O-CB 3.23Å; A140-S144 PolarHBondContact O-N 3.06Å; A140-S144 PolarHBondContact O-OG 3.46Å; I141-S144 PolarHBondContact O-N 2.9Å; S144-V147 PolarHBondContact O-N 3.21Å; S144-L148 WeakPolarHBondContact O-CB 3.33Å; S144-L148 WeakPolarHBondContact O-CD1 3.11Å; S144-L148 WeakPolarHBondContact O-CG 3.49Å; S144-L148 PolarHBondContact O-N 3.15Å; S144-W262 PolarHBondContact OG-NE1 3.25Å
145L98.5Very high97.2Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-68.1-38.5177.1-69.7170.4000112.4L120 I141 L142 L143 V147 L148 I149 F159 L188 F192 F196L120-L145 HydrophobicContact CD1-CD2 4.42Å; L120-L145 HydrophobicContact CD2-CD2 3.89Å; L120-L145 HydrophobicContact CD2-CG 4.29Å; I141-L145 HydrophobicContact CG2-CD1 4.02Å; I141-L145 WeakPolarHBondContact O-CG 3.37Å; I141-L145 PolarHBondContact O-N 3.43Å; L142-L145 PolarHBondContact O-N 2.96Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 3.1Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 3.24Å; L145-L148 PolarHBondContact O-N 3.45Å; L145-I149 WeakPolarHBondContact O-CB 3.25Å; L145-I149 WeakPolarHBondContact O-CG2 3.15Å; L145-I149 PolarHBondContact O-N 3Å; L145-F159 HydrophobicContact CD2-CD1 3.98Å; L145-F159 HydrophobicContact CD2-CD2 4.37Å; L145-F159 HydrophobicContact CD2-CE1 3.94Å; L145-F159 HydrophobicContact CD2-CE2 4.35Å; L145-F159 HydrophobicContact CD2-CG 4.19Å; L145-F159 HydrophobicContact CD2-CZ 4.13Å; L145-L188 HydrophobicContact CD1-CD2 3.49Å; L145-L188 VanDerWaalsContact CD1-CD2 3.49Å; L145-F192 VanDerWaalsContact C-CZ 3.43Å; L145-F192 HydrophobicContact CB-CD1 4.4Å; L145-F192 HydrophobicContact CB-CE1 3.66Å; L145-F192 HydrophobicContact CB-CE2 3.92Å; L145-F192 HydrophobicContact CB-CZ 3.4Å; L145-F192 HydrophobicContact CD1-CD1 4.46Å; L145-F192 HydrophobicContact CD1-CE1 4.46Å; L145-F192 WeakPolarHBondContact O-CZ 3.48Å; L145-F196 HydrophobicContact CD1-CZ 4.15Å; L145-F196 HydrophobicContact CD2-CZ 4.36Å
146E97.6Very high97.3Very high15 Ų1518.5 Ų18.57%0.0710%0.096CC..Hα-helixtrans-58.6-43.7174.6-76.3-60.2158.700111.5Y76 R80 F90 L142 L143 I149 E150 F192Y76-E146 VanDerWaalsContact CE2-OE1 3.25Å; Y76-E146 WeakPolarHBondContact CE2-OE1 3.46Å; Y76-E146 PolarHBondContact OH-OE1 2.78Å; R80-E146 IonicContact CZ-OE1 3.39Å; R80-E146 IonicContact NH2-OE1 3.65Å; R80-E146 PolarHBondContact NH2-OE1 3.25Å; F90-E146 HydrophobicContact CE1-CG 4.18Å; L142-E146 WeakPolarHBondContact O-CG 3.27Å; L142-E146 PolarHBondContact O-N 3.47Å; L143-E146 PolarHBondContact O-N 3.04Å; E146-I149 WeakPolarHBondContact O-CG2 3.38Å; E146-E150 WeakPolarHBondContact O-CG 3.26Å; E146-F192 HydrophobicContact CG-CE2 3.94Å; E146-F192 WeakPolarHBondContact OE1-CE2 3.2Å
147V97.1Very high97.4Very high30 Ų3017.8 Ų17.818%0.1829%0.092CC..Hα-helixtrans-67.9-46.1176.8175.50000111L143 S144 L145 I149 E150 W262 L266 L323L143-V147 PolarHBondContact O-N 3.38Å; L143-V147 VanDerWaalsContact O-N 3.08Å; S144-V147 PolarHBondContact O-N 3.21Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 3.24Å; V147-I149 PolarHBondContact O-N 3.08Å; V147-E150 WeakPolarHBondContact O-CB 3.46Å; V147-E150 WeakPolarHBondContact O-CG 3.39Å; V147-E150 PolarHBondContact O-N 3.16Å; V147-W262 HydrophobicContact CG1-CH2 4.38Å; V147-L266 HydrophobicContact CB-CD2 4.08Å; V147-L266 HydrophobicContact CG1-CD2 3.71Å; V147-L266 HydrophobicContact CG2-CD2 3.94Å; V147-L323 HydrophobicContact CG2-CD1 3.97Å
148L97.9Very high97.4Very high15 Ų1517.3 Ų17.38%0.0799%0.09CC..Hα-helixtrans-66.7-36.8-176.5-70.4168000112.6V108 K118 L120 S144 L145 E150 N151 L154 F159 W262V108-L148 HydrophobicContact CG1-CD1 4.11Å; V108-L148 HydrophobicContact CG1-CD2 4.22Å; V108-L148 HydrophobicContact CG2-CD1 4.22Å; K118-L148 HydrophobicContact CG-CD1 4.16Å; K118-L148 HydrophobicContact CG-CD2 4.14Å; L120-L148 HydrophobicContact CD1-CD1 4.16Å; S144-L148 WeakPolarHBondContact O-CB 3.33Å; S144-L148 WeakPolarHBondContact O-CD1 3.11Å; S144-L148 WeakPolarHBondContact O-CG 3.49Å; S144-L148 PolarHBondContact O-N 3.15Å; L145-L148 PolarHBondContact O-N 3.45Å; L148-E150 PolarHBondContact O-N 3.41Å; L148-N151 WeakPolarHBondContact O-CB 3.32Å; L148-N151 PolarHBondContact O-N 3.19Å; L148-L154 HydrophobicContact CB-CD1 4.07Å; L148-L154 HydrophobicContact CD2-CD1 4.25Å; L148-L154 WeakPolarHBondContact O-CD1 3.25Å; L148-F159 HydrophobicContact CB-CE1 3.73Å; L148-F159 HydrophobicContact CB-CZ 4.06Å; L148-F159 HydrophobicContact CD1-CE1 4.01Å; L148-F159 HydrophobicContact CG-CE1 4.49Å; L148-W262 HydrophobicContact CD1-CZ2 4.38Å; L148-W262 HydrophobicContact CD2-CH2 3.69Å; L148-W262 HydrophobicContact CD2-CZ2 4.25Å; L148-W262 HydrophobicContact CD2-CZ3 4.31Å; L148-W262 HydrophobicContact CG-CH2 3.99Å; L148-W262 HydrophobicContact CG-CZ2 4.07Å
149I96.6Very high97.4Very high0 Ų017.2 Ų17.20%09%0.089CC..THydrogen-bonded Turntrans-73.7-9-176.6-157.9156.7000113.4L145 E146 V147 N151 Q155 F192 P193L145-I149 WeakPolarHBondContact O-CB 3.25Å; L145-I149 WeakPolarHBondContact O-CG2 3.15Å; L145-I149 PolarHBondContact O-N 3Å; E146-I149 WeakPolarHBondContact O-CG2 3.38Å; V147-I149 PolarHBondContact O-N 3.08Å; I149-N151 PolarHBondContact O-N 3.18Å; I149-Q155 HydrophobicContact CG1-CG 3.77Å; I149-Q155 WeakPolarHBondContact O-CG 3.49Å; I149-Q155 PolarHBondContact O-NE2 2.76Å; I149-F192 HydrophobicContact CB-CE1 4.46Å; I149-F192 HydrophobicContact CB-CZ 4.41Å; I149-F192 HydrophobicContact CD1-CE1 3.76Å; I149-F192 HydrophobicContact CD1-CZ 4.35Å; I149-F192 HydrophobicContact CG2-CE1 4.44Å; I149-F192 HydrophobicContact CG2-CZ 3.97Å; I149-P193 HydrophobicContact CD1-CB 4.23Å; I149-P193 HydrophobicContact CD1-CG 3.91Å; I149-P193 VanDerWaalsContact CD1-O 3.28Å; I149-P193 WeakPolarHBondContact CD1-O 3.26Å
150E94.5Very high97.5Very high69 Ų6916.3 Ų16.332%0.3229%0.086SC..THydrogen-bonded Turntrans-61.6-27.7169.1-56.5-156.7133.500111.6R57 E146 V147 L148 P152R57-E150 IonicContact NH2-OE1 3.73Å; E146-E150 WeakPolarHBondContact O-CG 3.26Å; V147-E150 WeakPolarHBondContact O-CB 3.46Å; V147-E150 WeakPolarHBondContact O-CG 3.39Å; V147-E150 PolarHBondContact O-N 3.16Å; L148-E150 PolarHBondContact O-N 3.41Å; E150-P152 VanDerWaalsContact O-CD 3.24Å; E150-P152 WeakPolarHBondContact O-CD 3.33Å
151N95.4Very high97.5Very high74 Ų7417.3 Ų17.340%0.3969%0.091SC..SBendtrans-71.7116.3172.6-174.7-17.9000111.1L148 I149 E153 L154 Q155L148-N151 WeakPolarHBondContact O-CB 3.32Å; L148-N151 PolarHBondContact O-N 3.19Å; I149-N151 PolarHBondContact O-N 3.18Å; N151-E153 PolarHBondContact O-N 3.44Å; N151-E153 VanDerWaalsContact OD1-CB 3.26Å; N151-E153 WeakPolarHBondContact OD1-CB 3.38Å; N151-E153 PolarHBondContact OD1-N 3.14Å; N151-L154 HydrophobicContact CB-CB 4.38Å; N151-L154 HydrophobicContact CB-CD1 4.27Å; N151-L154 HydrophobicContact CB-CG 4.09Å; N151-L154 PolarHBondContact O-N 3.03Å; N151-Q155 PolarHBondContact O-N 3.02Å
152P95.6Very high97.5Very high40 Ų4016.4 Ų16.426%0.269%0.086SC..Hα-helixtrans-56.6-33.5178.8-27.538.3000114.1L9 E150 L154 Q155 I156L9-P152 HydrophobicContact CD2-CB 3.6Å; L9-P152 HydrophobicContact CG-CB 4.23Å; E150-P152 VanDerWaalsContact O-CD 3.24Å; E150-P152 WeakPolarHBondContact O-CD 3.33Å; P152-L154 VanDerWaalsContact C-N 3.28Å; P152-L154 PolarHBondContact O-N 3.25Å; P152-Q155 WeakPolarHBondContact O-CB 3.4Å; P152-Q155 PolarHBondContact O-N 3.2Å; P152-I156 PolarHBondContact O-N 3.24Å
153E95.9Very high97.5Very high37 Ų3717.2 Ų17.217%0.1739%0.091CC..Hα-helixtrans-59.8-39.8175.7-72.3-79.6161.800111.3L9 S10 T13 N151 Q155 I156 N157L9-E153 HydrophobicContact CD2-CG 4.12Å; S10-E153 PolarHBondContact N-OE1 3.47Å; S10-E153 PolarHBondContact OG-OE1 3.18Å; T13-E153 WeakPolarHBondContact CB-OE1 3.39Å; T13-E153 WeakPolarHBondContact CB-OE2 3.44Å; T13-E153 WeakPolarHBondContact CG2-OE2 3.04Å; T13-E153 PolarHBondContact OG1-OE1 2.95Å; T13-E153 VanDerWaalsContact OG1-OE1 3.09Å; T13-E153 PolarHBondContact OG1-OE2 3.33Å; N151-E153 PolarHBondContact O-N 3.44Å; N151-E153 VanDerWaalsContact OD1-CB 3.26Å; N151-E153 WeakPolarHBondContact OD1-CB 3.38Å; N151-E153 PolarHBondContact OD1-N 3.14Å; E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-I156 PolarHBondContact O-N 3.47Å; E153-N157 WeakPolarHBondContact O-CB 3.25Å; E153-N157 PolarHBondContact O-N 2.86Å; E153-N157 PolarHBondContact O-ND2 3.39Å; E153-N157 PolarHBondContact OE2-ND2 2.96Å; E153-N157 VanDerWaalsContact OE2-ND2 3.11Å
154L97.3Very high97.5Very high11 Ų1117.8 Ų17.86%0.0589%0.094CC..Hα-helixtrans-76.8-22.4-178.4-62-172.2000112.8K118 L148 N151 P152 I156 G158 F159K118-L154 HydrophobicContact CB-CD1 3.78Å; K118-L154 HydrophobicContact CB-CD2 3.74Å; K118-L154 HydrophobicContact CB-CG 4.43Å; K118-L154 HydrophobicContact CG-CD1 4.24Å; L148-L154 HydrophobicContact CB-CD1 4.07Å; L148-L154 HydrophobicContact CD2-CD1 4.25Å; L148-L154 WeakPolarHBondContact O-CD1 3.25Å; N151-L154 HydrophobicContact CB-CB 4.38Å; N151-L154 HydrophobicContact CB-CD1 4.27Å; N151-L154 HydrophobicContact CB-CG 4.09Å; N151-L154 PolarHBondContact O-N 3.03Å; P152-L154 VanDerWaalsContact C-N 3.28Å; P152-L154 PolarHBondContact O-N 3.25Å; L154-I156 PolarHBondContact O-N 2.82Å; L154-G158 WeakPolarHBondContact O-CA 3.42Å; L154-G158 PolarHBondContact O-N 3.37Å; L154-F159 HydrophobicContact CB-CZ 4.12Å; L154-F159 HydrophobicContact CD1-CE1 4.17Å; L154-F159 HydrophobicContact CD1-CZ 4.47Å
155Q98Very high97.3Very high12 Ų1218.7 Ų18.76%0.05610%0.097CC..Hα-helixtrans-65.5-33.3170-58.1169.216.300111.1R57 R60 I149 N151 P152 E153R57-Q155 HydrophobicContact CG-CG 4.33Å; R60-Q155 HydrophobicContact CB-CB 4.45Å; I149-Q155 HydrophobicContact CG1-CG 3.77Å; I149-Q155 WeakPolarHBondContact O-CG 3.49Å; I149-Q155 PolarHBondContact O-NE2 2.76Å; N151-Q155 PolarHBondContact O-N 3.02Å; P152-Q155 WeakPolarHBondContact O-CB 3.4Å; P152-Q155 PolarHBondContact O-N 3.2Å; E153-Q155 VanDerWaalsContact C-N 3.34Å
156I97.9Very high97.1Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-94.2-38.8-176.5-62.1158000112.3L9 T13 K16 A17 L21 P152 E153 L154 R195L9-I156 HydrophobicContact CD1-CD1 3.56Å; L9-I156 HydrophobicContact CD2-CD1 3.65Å; L9-I156 HydrophobicContact CG-CD1 4.28Å; T13-I156 HydrophobicContact CG2-CB 3.75Å; T13-I156 HydrophobicContact CG2-CD1 3.65Å; T13-I156 HydrophobicContact CG2-CG1 4.32Å; T13-I156 HydrophobicContact CG2-CG2 3.65Å; K16-I156 HydrophobicContact CB-CG2 4.35Å; K16-I156 HydrophobicContact CD-CG2 4.27Å; K16-I156 HydrophobicContact CG-CG2 4.18Å; A17-I156 HydrophobicContact CB-CD1 3.84Å; A17-I156 HydrophobicContact CB-CG1 4.04Å; A17-I156 HydrophobicContact CB-CG2 4.03Å; L21-I156 HydrophobicContact CD1-CB 4.31Å; L21-I156 HydrophobicContact CD1-CG1 4.03Å; L21-I156 HydrophobicContact CD1-CG2 4.14Å; P152-I156 PolarHBondContact O-N 3.24Å; E153-I156 PolarHBondContact O-N 3.47Å; L154-I156 PolarHBondContact O-N 2.82Å; I156-R195 PolarHBondContact O-NH1 2.86Å
157N97.9Very high96.9Very high15 Ų1526.7 Ų26.78%0.0814%0.143CC..Hα-helixtrans-84.4-44.9179.9-65.6-35.7000110.7K16 G116 R117 E153K16-N157 WeakPolarHBondContact CD-OD1 3.5Å; K16-N157 PolarHBondContact NZ-OD1 3.07Å; G116-N157 WeakPolarHBondContact O-CB 3.44Å; R117-N157 WeakPolarHBondContact CG-O 3.12Å; E153-N157 WeakPolarHBondContact O-CB 3.25Å; E153-N157 PolarHBondContact O-N 2.86Å; E153-N157 PolarHBondContact O-ND2 3.39Å; E153-N157 PolarHBondContact OE2-ND2 2.96Å; E153-N157 VanDerWaalsContact OE2-ND2 3.11Å
158G98.1Very high96.8Very high0 Ų026 Ų260%014%0.137CC..  trans91.3-153.3179.200000113.5R117 K118 L154 R195R117-G158 VanDerWaalsContact CA-O 3.25Å; R117-G158 WeakPolarHBondContact CA-O 3.48Å; R117-G158 WeakPolarHBondContact CB-O 3.48Å; K118-G158 PolarHBondContact N-O 2.95Å; K118-G158 VanDerWaalsContact N-O 3.07Å; L154-G158 WeakPolarHBondContact O-CA 3.42Å; L154-G158 PolarHBondContact O-N 3.37Å; G158-R195 CarbonylContact C-O 3.57Å; G158-R195 WeakPolarHBondContact CA-O 3.28Å
159F98.6Very high96.5Very high0 Ų027.5 Ų27.50%015%0.149CC..EExtended strand (participates in β ladder)trans-133.2154.6-168.8-58.6-87.9000111.7K118 L120 L145 L148 L154 A194 R195 F196 G197K118-F159 HydrophobicContact CB-CD1 3.89Å; K118-F159 HydrophobicContact CB-CE1 4.11Å; K118-F159 HydrophobicContact CG-CD1 4.49Å; K118-F159 CarbonylContact O-C 3.57Å; K118-F159 VanDerWaalsContact O-CA 3.28Å; K118-F159 WeakPolarHBondContact O-CA 3.47Å; L120-F159 HydrophobicContact CD1-CB 4.43Å; L120-F159 HydrophobicContact CD1-CD1 3.65Å; L120-F159 HydrophobicContact CD1-CE1 4.42Å; L120-F159 HydrophobicContact CD1-CG 4.44Å; L145-F159 HydrophobicContact CD2-CD1 3.98Å; L145-F159 HydrophobicContact CD2-CD2 4.37Å; L145-F159 HydrophobicContact CD2-CE1 3.94Å; L145-F159 HydrophobicContact CD2-CE2 4.35Å; L145-F159 HydrophobicContact CD2-CG 4.19Å; L145-F159 HydrophobicContact CD2-CZ 4.13Å; L148-F159 HydrophobicContact CB-CE1 3.73Å; L148-F159 HydrophobicContact CB-CZ 4.06Å; L148-F159 HydrophobicContact CD1-CE1 4.01Å; L148-F159 HydrophobicContact CG-CE1 4.49Å; L154-F159 HydrophobicContact CB-CZ 4.12Å; L154-F159 HydrophobicContact CD1-CE1 4.17Å; L154-F159 HydrophobicContact CD1-CZ 4.47Å; F159-A194 HydrophobicContact CD2-CB 3.81Å; F159-A194 HydrophobicContact CE2-CB 3.93Å; F159-R195 PolarHBondContact N-O 3.04Å; F159-F196 HydrophobicContact CB-CD1 3.86Å; F159-F196 HydrophobicContact CB-CE1 3.82Å; F159-F196 CarbonylContact O-C 3.37Å; F159-F196 VanDerWaalsContact O-CA 3.3Å; F159-F196 WeakPolarHBondContact O-CA 3.48Å; F159-G197 PolarHBondContact O-N 3.44Å
160T98.6Very high96.2Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-123.9133.6168.8-65.10000107.9D113 R117 K118 I119 L120 I162 I241D113-T160 PolarHBondContact OD2-OG1 3.04Å; R117-T160 PolarHBondContact NE-OG1 3.48Å; R117-T160 PolarHBondContact NH2-OG1 2.96Å; K118-T160 PolarHBondContact O-N 3.41Å; I119-T160 CarbonylContact C-O 3.56Å; I119-T160 WeakPolarHBondContact CA-O 3.43Å; L120-T160 PolarHBondContact N-O 3.15Å; T160-I162 HydrophobicContact CG2-CG1 4.46Å; T160-I241 HydrophobicContact CG2-CD1 3.58Å; T160-I241 HydrophobicContact CG2-CG1 4.44Å
161L98.6Very high96.1Very high22 Ų2237.6 Ų37.612%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-110.2126.5177.3178.959.4000109.3L120 L122 I163 F196 G198 I199 H200L120-L161 HydrophobicContact CB-CD1 3.9Å; L120-L161 WeakPolarHBondContact O-CA 3.42Å; L122-L161 HydrophobicContact CD1-CD1 4.01Å; L122-L161 HydrophobicContact CG-CD1 4.01Å; L161-I163 HydrophobicContact CD1-CG1 4.31Å; L161-I163 HydrophobicContact CD2-CD1 3.89Å; L161-I163 HydrophobicContact CD2-CG1 4.16Å; L161-I163 HydrophobicContact CG-CD1 4.16Å; L161-I163 HydrophobicContact CG-CG1 3.85Å; L161-F196 HydrophobicContact CB-CD1 4.45Å; L161-F196 HydrophobicContact CB-CE1 4.44Å; L161-G198 PolarHBondContact N-O 3.14Å; L161-I199 HydrophobicContact CB-CG1 4.4Å; L161-I199 HydrophobicContact CB-CG2 4.39Å; L161-I199 HydrophobicContact CD2-CG2 4.13Å; L161-I199 HydrophobicContact CG-CG2 4.39Å; L161-I199 CarbonylContact O-C 3.53Å; L161-I199 WeakPolarHBondContact O-CA 3.37Å; L161-H200 PolarHBondContact O-N 2.8Å
162I98.6Very high95.9Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-113.6129.1172.4-53.9177.1000108I119 L120 I121 L122 T160 H200 I241 L246 F250I119-I162 HydrophobicContact CG2-CD1 3.74Å; I119-I162 HydrophobicContact CG2-CG1 4.09Å; L120-I162 PolarHBondContact O-N 3.45Å; I121-I162 CarbonylContact C-O 3.57Å; I121-I162 WeakPolarHBondContact CA-O 3.48Å; I121-I162 HydrophobicContact CG1-CB 4.5Å; L122-I162 PolarHBondContact N-O 3.06Å; T160-I162 HydrophobicContact CG2-CG1 4.46Å; I162-H200 CarbonylContact C-O 3.56Å; I162-H200 WeakPolarHBondContact CA-O 3.48Å; I162-H200 HydrophobicContact CG1-CB 4.34Å; I162-I241 HydrophobicContact CD1-CD1 3.75Å; I162-I241 HydrophobicContact CG1-CD1 4.08Å; I162-L246 HydrophobicContact CD1-CD2 3.46Å; I162-L246 VanDerWaalsContact CD1-CD2 3.46Å; I162-F250 HydrophobicContact CG2-CD1 3.91Å; I162-F250 HydrophobicContact CG2-CE1 3.55Å; I162-F250 HydrophobicContact CG2-CE2 4.47Å; I162-F250 HydrophobicContact CG2-CZ 3.89Å
163I98Very high95.7Very high21 Ų2133.7 Ų33.711%0.10817%0.169CC..EExtended strand (participates in β ladder)trans-122.6108-179.5-44.3-177.9000107.6L122 L161 W165 I199 H200 F201 V202L122-I163 HydrophobicContact CB-CG1 4.47Å; L122-I163 HydrophobicContact CB-CG2 4.04Å; L122-I163 HydrophobicContact CD1-CD1 4.34Å; L122-I163 HydrophobicContact CD1-CG1 4.27Å; L122-I163 CarbonylContact O-C 3.22Å; L122-I163 WeakPolarHBondContact O-CA 3.42Å; L161-I163 HydrophobicContact CD1-CG1 4.31Å; L161-I163 HydrophobicContact CD2-CD1 3.89Å; L161-I163 HydrophobicContact CD2-CG1 4.16Å; L161-I163 HydrophobicContact CG-CD1 4.16Å; L161-I163 HydrophobicContact CG-CG1 3.85Å; I163-W165 VanDerWaalsContact CG2-CD1 3.46Å; I163-I199 HydrophobicContact CD1-CG2 4.24Å; I163-H200 PolarHBondContact N-O 3.35Å; I163-F201 HydrophobicContact CB-CD1 4.14Å; I163-F201 HydrophobicContact CB-CE1 4.28Å; I163-F201 HydrophobicContact CD1-CD1 4.37Å; I163-F201 HydrophobicContact CD1-CE1 3.72Å; I163-F201 HydrophobicContact CD1-CE2 4.29Å; I163-F201 HydrophobicContact CD1-CZ 3.68Å; I163-F201 HydrophobicContact CG1-CE1 4.5Å; I163-F201 HydrophobicContact CG2-CE1 4.45Å; I163-F201 WeakPolarHBondContact O-CA 3.46Å; I163-V202 PolarHBondContact O-N 2.91Å
164D97.8Very high95.5Very high13 Ų1335.2 Ų35.27%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-82.6119.1173.2-167.6-2.7000109.9L122 F123 A124 S166 V202 N203 F250L122-D164 PolarHBondContact O-N 2.93Å; F123-D164 HydrophobicContact CD1-CB 3.87Å; F123-D164 HydrophobicContact CE1-CB 4.32Å; A124-D164 WeakPolarHBondContact CB-O 3.32Å; A124-D164 PolarHBondContact N-O 2.8Å; D164-S166 VanDerWaalsContact OD1-CB 3.23Å; D164-S166 WeakPolarHBondContact OD1-CB 3.48Å; D164-S166 PolarHBondContact OD1-N 3.18Å; D164-S166 PolarHBondContact OD1-OG 2.95Å; D164-S166 PolarHBondContact OD2-OG 3.32Å; D164-V202 HydrophobicContact CB-CG2 4Å; D164-N203 PolarHBondContact OD1-ND2 3.17Å; D164-F250 HydrophobicContact CB-CE1 3.88Å; D164-F250 HydrophobicContact CB-CZ 4.13Å
165W95.8Very high95.2Very high19 Ų1940.1 Ų40.17%0.07220%0.204CC..  trans-100.79178-81.650.2000112.9I163 N167 F168 F201 V202 N203 Q204 P205 Y207 I208 M211I163-W165 VanDerWaalsContact CG2-CD1 3.46Å; W165-N167 PolarHBondContact O-N 2.87Å; W165-F168 HydrophobicContact CB-CB 4.38Å; W165-F168 AromaticContact CD2-CD1 3.94Å; W165-F168 HydrophobicContact CD2-CD1 3.94Å; W165-F168 AromaticContact CE3-CD1 3.54Å; W165-F168 HydrophobicContact CE3-CD1 3.54Å; W165-F168 HydrophobicContact CE3-CE1 4.24Å; W165-F168 HydrophobicContact CE3-CG 4.45Å; W165-F168 HydrophobicContact CH2-CD1 4.29Å; W165-F168 HydrophobicContact CH2-CE1 4.18Å; W165-F168 HydrophobicContact CZ2-CE1 4.48Å; W165-F168 AromaticContact CZ3-CD1 3.78Å; W165-F168 HydrophobicContact CZ3-CD1 3.78Å; W165-F168 HydrophobicContact CZ3-CE1 4.06Å; W165-F168 VanDerWaalsContact O-CB 3.29Å; W165-F168 WeakPolarHBondContact O-CB 3.25Å; W165-F168 PolarHBondContact O-N 3.33Å; W165-F201 AromaticContact CD1-CD1 3.81Å; W165-F201 AromaticContact CE2-CD1 3.76Å; W165-F201 AromaticContact CE2-CE1 3.8Å; W165-F201 HydrophobicContact CZ2-CD1 4.18Å; W165-F201 AromaticContact CZ2-CE1 3.83Å; W165-F201 HydrophobicContact CZ2-CE1 3.83Å; W165-F201 AromaticContact NE1-CD1 3.3Å; W165-F201 VanDerWaalsContact NE1-CD1 3.3Å; W165-F201 AromaticContact NE1-CE1 3.47Å; W165-V202 PolarHBondContact N-O 3.34Å; W165-N203 CarbonylContact C-O 3.47Å; W165-Q204 HydrophobicContact CB-CB 4.01Å; W165-Q204 HydrophobicContact CD2-CB 4.36Å; W165-Q204 HydrophobicContact CE3-CB 4.48Å; W165-Q204 HydrophobicContact CG-CB 4.19Å; W165-P205 HydrophobicContact CE3-CG 4.04Å; W165-Y207 HydrophobicContact CE3-CE2 4.21Å; W165-Y207 HydrophobicContact CZ3-CD2 4.17Å; W165-Y207 AromaticContact CZ3-CE2 3.73Å; W165-Y207 HydrophobicContact CZ3-CE2 3.73Å; W165-I208 HydrophobicContact CD2-CD1 4.28Å; W165-I208 HydrophobicContact CE3-CD1 4.12Å; W165-I208 HydrophobicContact CH2-CD1 3.37Å; W165-I208 HydrophobicContact CZ2-CD1 3.59Å; W165-I208 HydrophobicContact CZ3-CD1 3.65Å; W165-M211 HydrophobicContact CH2-CB 4.42Å; W165-M211 HydrophobicContact CH2-CG 4.22Å
166S94.6Very high95Very high34 Ų3440.4 Ų40.424%0.23821%0.206CC..THydrogen-bonded Turntrans-49.1128.5170.9-63.20000110.2S125 D164 F168 N203S125-S166 VanDerWaalsContact CB-O 3.32Å; S125-S166 WeakPolarHBondContact CB-O 3.38Å; D164-S166 VanDerWaalsContact OD1-CB 3.23Å; D164-S166 WeakPolarHBondContact OD1-CB 3.48Å; D164-S166 PolarHBondContact OD1-N 3.18Å; D164-S166 PolarHBondContact OD1-OG 2.95Å; D164-S166 PolarHBondContact OD2-OG 3.32Å; S166-F168 PolarHBondContact O-N 2.94Å; S166-N203 WeakPolarHBondContact OG-CB 3.29Å; S166-N203 VanDerWaalsContact OG-CG 3.27Å; S166-N203 PolarHBondContact OG-ND2 2.79Å
167N92.9Very high94.8Very high149 Ų14943.6 Ų43.680%0.79723%0.226SC*.THydrogen-bonded Turntrans56.311.8179.7-53.9-49000115.6W165 S169W165-N167 PolarHBondContact O-N 2.87Å; N167-S169 PolarHBondContact O-N 3.03Å
168F93.9Very high94.7Very high14 Ų1445.9 Ų45.96%0.06124%0.241CC..  trans-67.7123.6170.4-168.5-126.3000108.2A124 W127 W165 S166 Q172 A173 L176 Y207A124-F168 HydrophobicContact CB-CB 4.03Å; A124-F168 HydrophobicContact CB-CD1 4.47Å; A124-F168 HydrophobicContact CB-CD2 3.64Å; A124-F168 HydrophobicContact CB-CE2 4.16Å; A124-F168 HydrophobicContact CB-CG 3.81Å; A124-F168 WeakPolarHBondContact O-CD2 3.23Å; W127-F168 AromaticContact CE3-CE2 3.84Å; W127-F168 HydrophobicContact CE3-CE2 3.84Å; W127-F168 HydrophobicContact CE3-CZ 4.05Å; W127-F168 HydrophobicContact CZ3-CE2 4.37Å; W127-F168 HydrophobicContact CZ3-CZ 4.16Å; W165-F168 HydrophobicContact CB-CB 4.38Å; W165-F168 AromaticContact CD2-CD1 3.94Å; W165-F168 HydrophobicContact CD2-CD1 3.94Å; W165-F168 AromaticContact CE3-CD1 3.54Å; W165-F168 HydrophobicContact CE3-CD1 3.54Å; W165-F168 HydrophobicContact CE3-CE1 4.24Å; W165-F168 HydrophobicContact CE3-CG 4.45Å; W165-F168 HydrophobicContact CH2-CD1 4.29Å; W165-F168 HydrophobicContact CH2-CE1 4.18Å; W165-F168 HydrophobicContact CZ2-CE1 4.48Å; W165-F168 AromaticContact CZ3-CD1 3.78Å; W165-F168 HydrophobicContact CZ3-CD1 3.78Å; W165-F168 HydrophobicContact CZ3-CE1 4.06Å; W165-F168 VanDerWaalsContact O-CB 3.29Å; W165-F168 WeakPolarHBondContact O-CB 3.25Å; W165-F168 PolarHBondContact O-N 3.33Å; S166-F168 PolarHBondContact O-N 2.94Å; F168-Q172 HydrophobicContact CD2-CB 3.89Å; F168-Q172 HydrophobicContact CE2-CB 3.29Å; F168-Q172 HydrophobicContact CE2-CG 4.15Å; F168-Q172 HydrophobicContact CZ-CB 3.69Å; F168-A173 HydrophobicContact CD1-CB 4.3Å; F168-A173 HydrophobicContact CE1-CB 3.65Å; F168-A173 HydrophobicContact CZ-CB 4.31Å; F168-L176 HydrophobicContact CE1-CD1 4.26Å; F168-L176 HydrophobicContact CZ-CD1 4.13Å; F168-Y207 PolarHBondContact O-OH 2.93Å
169S92.4Very high94.6Very high47 Ų4752.1 Ų52.133%0.32928%0.275SS..  trans-88.6153.5-174.168.20000112.2N167 K171 Q172 A173 Y207N167-S169 PolarHBondContact O-N 3.03Å; S169-K171 PolarHBondContact O-N 2.95Å; S169-Q172 PolarHBondContact O-N 2.83Å; S169-Q172 VanDerWaalsContact O-N 3.09Å; S169-Q172 WeakPolarHBondContact OG-CG 3.49Å; S169-Q172 PolarHBondContact OG-N 3.12Å; S169-Q172 VanDerWaalsContact OG-N 3.08Å; S169-Q172 PolarHBondContact OG-OE1 2.91Å; S169-A173 PolarHBondContact O-N 3.28Å; S169-Y207 PolarHBondContact O-OH 3.46Å
170F90.9Very high94.4Very high126 Ų12653.8 Ų53.855%0.55328%0.283SS*.Hα-helixtrans-59.7-33.7172-176.6-100.3000111.8A173 S174 Y207F170-A173 PolarHBondContact O-N 3.31Å; F170-S174 WeakPolarHBondContact O-CB 3.39Å; F170-S174 PolarHBondContact O-N 3.24Å; F170-Y207 HydrophobicContact CB-CD1 4.4Å; F170-Y207 HydrophobicContact CB-CE1 3.95Å; F170-Y207 AromaticContact CD2-CD1 3.82Å; F170-Y207 HydrophobicContact CD2-CD1 3.82Å; F170-Y207 HydrophobicContact CD2-CD2 4.36Å; F170-Y207 HydrophobicContact CD2-CE1 4.16Å; F170-Y207 AromaticContact CD2-CG 3.91Å; F170-Y207 HydrophobicContact CD2-CG 3.91Å; F170-Y207 PolarHBondContact N-OH 2.86Å
171K90.8Very high94.2Very high155 Ų15554.9 Ų54.967%0.67429%0.289SS*.Hα-helixtrans-59.9-46174.1-177.1-177.7176.4-174.20110.8S169 S174S169-K171 PolarHBondContact O-N 2.95Å; K171-S174 PolarHBondContact O-N 3.02Å; K171-S174 PolarHBondContact O-OG 2.86Å
172Q91.9Very high94.2Very high30 Ų3058.5 Ų58.514%0.1430%0.304CS..Hα-helixtrans-64.2-47.1176-73.1159.8-5600111.2W127 Q129 F168 S169 S174 K175W127-Q172 HydrophobicContact CE3-CB 4.38Å; W127-Q172 HydrophobicContact CZ3-CB 4.49Å; W127-Q172 PolarHBondContact O-NE2 2.88Å; Q129-Q172 VanDerWaalsContact NE2-CA 3.33Å; Q129-Q172 PolarHBondContact NE2-O 3.32Å; F168-Q172 HydrophobicContact CD2-CB 3.89Å; F168-Q172 HydrophobicContact CE2-CB 3.29Å; F168-Q172 HydrophobicContact CE2-CG 4.15Å; F168-Q172 HydrophobicContact CZ-CB 3.69Å; S169-Q172 PolarHBondContact O-N 2.83Å; S169-Q172 VanDerWaalsContact O-N 3.09Å; S169-Q172 WeakPolarHBondContact OG-CG 3.49Å; S169-Q172 PolarHBondContact OG-N 3.12Å; S169-Q172 VanDerWaalsContact OG-N 3.08Å; S169-Q172 PolarHBondContact OG-OE1 2.91Å; Q172-S174 VanDerWaalsContact C-N 3.27Å; Q172-S174 PolarHBondContact O-N 3.14Å; Q172-K175 WeakPolarHBondContact O-CB 3.27Å; Q172-K175 PolarHBondContact O-N 3.45Å; Q172-K175 VanDerWaalsContact O-N 3.08Å
173A91.9Very high94.1Very high2 Ų260 Ų602%0.01731%0.312CS..Hα-helixtrans-57.1-37.917800000112.9F168 S169 F170 K175 L176 Y207F168-A173 HydrophobicContact CD1-CB 4.3Å; F168-A173 HydrophobicContact CE1-CB 3.65Å; F168-A173 HydrophobicContact CZ-CB 4.31Å; S169-A173 PolarHBondContact O-N 3.28Å; F170-A173 PolarHBondContact O-N 3.31Å; A173-K175 PolarHBondContact O-N 3.2Å; A173-L176 WeakPolarHBondContact O-CB 3.33Å; A173-L176 PolarHBondContact O-N 2.95Å; A173-Y207 HydrophobicContact CB-CD2 4.19Å; A173-Y207 HydrophobicContact CB-CE2 3.61Å
174S90.9Very high94.1Very high70 Ų7059.5 Ų59.549%0.4931%0.311SS..THydrogen-bonded Turntrans-61.8-16.5179.176.30000114.4F170 K171 Q172F170-S174 WeakPolarHBondContact O-CB 3.39Å; F170-S174 PolarHBondContact O-N 3.24Å; K171-S174 PolarHBondContact O-N 3.02Å; K171-S174 PolarHBondContact O-OG 2.86Å; Q172-S174 VanDerWaalsContact C-N 3.27Å; Q172-S174 PolarHBondContact O-N 3.14Å
175K91.9Very high94.1Very high113 Ų11360 Ų6049%0.49131%0.313SS..THydrogen-bonded Turntrans-86.7-12.3176.1-57.9-56.4-173.91720113.4W127 Q172 A173 T177W127-K175 HydrophobicContact CH2-CB 4.02Å; Q172-K175 WeakPolarHBondContact O-CB 3.27Å; Q172-K175 PolarHBondContact O-N 3.45Å; Q172-K175 VanDerWaalsContact O-N 3.08Å; A173-K175 PolarHBondContact O-N 3.2Å; K175-T177 VanDerWaalsContact C-N 3.28Å; K175-T177 PolarHBondContact O-N 2.99Å
176L92.8Very high94.1Very high18 Ų1861.2 Ų61.29%0.09432%0.32CS..  trans-78.579.9174.2-60.9177.6000109.6W127 F134 F168 A173 L181 M211W127-L176 HydrophobicContact CH2-CD2 3.75Å; W127-L176 HydrophobicContact CH2-CG 4.36Å; W127-L176 HydrophobicContact CZ3-CD2 3.66Å; W127-L176 HydrophobicContact CZ3-CG 4Å; F134-L176 HydrophobicContact CD2-CD2 3.37Å; F134-L176 HydrophobicContact CE2-CD2 3.48Å; F134-L176 VanDerWaalsContact CE2-CD2 3.48Å; F134-L176 HydrophobicContact CG-CD2 4.15Å; F134-L176 HydrophobicContact CZ-CD2 4.33Å; F168-L176 HydrophobicContact CE1-CD1 4.26Å; F168-L176 HydrophobicContact CZ-CD1 4.13Å; A173-L176 WeakPolarHBondContact O-CB 3.33Å; A173-L176 PolarHBondContact O-N 2.95Å; L176-L181 HydrophobicContact CB-CD1 4.06Å; L176-L181 HydrophobicContact CB-CD2 4.12Å; L176-L181 HydrophobicContact CB-CG 4.17Å; L176-L181 HydrophobicContact CD2-CD2 4.49Å; L176-L181 WeakPolarHBondContact O-CD1 3.41Å; L176-M211 HydrophobicContact CB-CE 3.7Å; L176-M211 HydrophobicContact CD1-CE 4.13Å
177T94.3Very high94.3Very high68 Ų6859.7 Ų59.742%0.41731%0.309SS..  trans-67.2155-179.968.20000111.8K175 N179 I180 L181K175-T177 VanDerWaalsContact C-N 3.28Å; K175-T177 PolarHBondContact O-N 2.99Å; T177-N179 PolarHBondContact O-N 2.94Å; T177-I180 WeakPolarHBondContact O-CG2 3.38Å; T177-I180 PolarHBondContact O-N 3.38Å; T177-I180 PolarHBondContact OG1-N 3.46Å; T177-L181 WeakPolarHBondContact O-CG 3.45Å; T177-L181 PolarHBondContact O-N 3.08Å
178P95.3Very high94.5Very high62 Ų6254.3 Ų54.340%0.40328%0.28SS..Hα-helixtrans-55.1-37.6176.2-25.933.7000113.4K182 I214 F218P178-K182 VanDerWaalsContact O-CB 3.25Å; P178-K182 WeakPolarHBondContact O-CB 3.33Å; P178-K182 PolarHBondContact O-N 2.97Å; P178-I214 HydrophobicContact CB-CG2 4Å; P178-I214 HydrophobicContact CG-CG2 3.82Å; P178-F218 HydrophobicContact CB-CE2 4.48Å
179N95.4Very high94.6Very high132 Ų13254.9 Ų54.971%0.70628%0.283SS*.Hα-helixtrans-65.6-43.7179.3-70.5-7.8000112.1T177 K182 L183T177-N179 PolarHBondContact O-N 2.94Å; N179-K182 PolarHBondContact O-N 2.73Å; N179-L183 PolarHBondContact O-N 2.94Å
180I94.7Very high94.7Very high35 Ų3554 Ų5418%0.17928%0.275CS..Hα-helixtrans-71.7-34.9-178.7-145.9168.1000111.9F134 I135 T177 L183 A184F134-I180 HydrophobicContact CB-CD1 3.73Å; F134-I180 HydrophobicContact CD1-CB 4.42Å; F134-I180 HydrophobicContact CD1-CD1 3.64Å; F134-I180 HydrophobicContact CD1-CG1 3.55Å; F134-I180 HydrophobicContact CD1-CG2 4.11Å; F134-I180 HydrophobicContact CE1-CG1 4.11Å; F134-I180 HydrophobicContact CE1-CG2 4.3Å; F134-I180 HydrophobicContact CG-CD1 4.04Å; F134-I180 HydrophobicContact CG-CG1 4.39Å; I135-I180 HydrophobicContact CD1-CD1 3.94Å; I135-I180 HydrophobicContact CD1-CG1 3.86Å; I135-I180 HydrophobicContact CG1-CD1 4.14Å; T177-I180 WeakPolarHBondContact O-CG2 3.38Å; T177-I180 PolarHBondContact O-N 3.38Å; T177-I180 PolarHBondContact OG1-N 3.46Å; I180-L183 PolarHBondContact O-N 3.08Å; I180-A184 PolarHBondContact O-N 3.21Å
181L95.9Very high95Very high22 Ų2248.1 Ų48.112%0.11525%0.249CC..Hα-helixtrans-69.1-40.3173.8-67.7170.2000111.5L176 T177 L183 A184 I185 M211 I214 I215L176-L181 HydrophobicContact CB-CD1 4.06Å; L176-L181 HydrophobicContact CB-CD2 4.12Å; L176-L181 HydrophobicContact CB-CG 4.17Å; L176-L181 HydrophobicContact CD2-CD2 4.49Å; L176-L181 WeakPolarHBondContact O-CD1 3.41Å; T177-L181 WeakPolarHBondContact O-CG 3.45Å; T177-L181 PolarHBondContact O-N 3.08Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-A184 PolarHBondContact O-N 3.21Å; L181-I185 WeakPolarHBondContact O-CB 3.37Å; L181-I185 WeakPolarHBondContact O-CD1 3.44Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.41Å; L181-I185 PolarHBondContact O-N 3.16Å; L181-M211 HydrophobicContact CD1-CE 3.59Å; L181-I214 HydrophobicContact CD1-CG2 4.26Å; L181-I215 HydrophobicContact CB-CG2 3.83Å; L181-I215 HydrophobicContact CD1-CG2 3.6Å; L181-I215 HydrophobicContact CD2-CG2 4.39Å; L181-I215 HydrophobicContact CG-CG2 4.15Å
182K97Very high95.4Very high98 Ų9840.9 Ų40.943%0.42622%0.217SC..Hα-helixtrans-59.4-45.5172.9-176-172.2173.6-164.90110.6P178 N179 A184 I185 E186 F218P178-K182 VanDerWaalsContact O-CB 3.25Å; P178-K182 WeakPolarHBondContact O-CB 3.33Å; P178-K182 PolarHBondContact O-N 2.97Å; N179-K182 PolarHBondContact O-N 2.73Å; K182-A184 PolarHBondContact O-N 3.22Å; K182-I185 PolarHBondContact O-N 2.9Å; K182-E186 WeakPolarHBondContact O-CB 3.47Å; K182-E186 PolarHBondContact O-N 3.11Å; K182-F218 HydrophobicContact CB-CD1 4.3Å; K182-F218 HydrophobicContact CB-CD2 3.98Å; K182-F218 HydrophobicContact CB-CE1 4.31Å; K182-F218 HydrophobicContact CB-CE2 3.99Å; K182-F218 HydrophobicContact CB-CG 4.14Å; K182-F218 HydrophobicContact CB-CZ 4.16Å; K182-F218 HydrophobicContact CD-CD1 4.08Å; K182-F218 HydrophobicContact CD-CE1 3.9Å; K182-F218 HydrophobicContact CD-CZ 4.39Å; K182-F218 HydrophobicContact CG-CD1 3.86Å; K182-F218 HydrophobicContact CG-CD2 4.39Å; K182-F218 HydrophobicContact CG-CE1 4.07Å; K182-F218 HydrophobicContact CG-CG 4.04Å; K182-F218 HydrophobicContact CG-CZ 4.43Å
183L97.3Very high95.7Very high32 Ų3239.6 Ų39.617%0.16821%0.212CC..Hα-helixtrans-58.6-46.6177.4-178.870.3000111.9F79 N83 M86 I135 L138 N179 I180 L181 I185 E186 G187F79-L183 HydrophobicContact CE2-CD1 3.71Å; F79-L183 HydrophobicContact CZ-CD1 3.86Å; F79-L183 HydrophobicContact CZ-CG 4.47Å; N83-L183 VanDerWaalsContact OD1-CD1 3.29Å; N83-L183 WeakPolarHBondContact OD1-CD1 3.32Å; M86-L183 HydrophobicContact SD-CD2 4.45Å; I135-L183 HydrophobicContact CD1-CD2 3.48Å; I135-L183 VanDerWaalsContact CD1-CD2 3.48Å; L138-L183 HydrophobicContact CD2-CD2 4.34Å; L138-L183 HydrophobicContact CD2-CG 4.24Å; N179-L183 PolarHBondContact O-N 2.94Å; I180-L183 PolarHBondContact O-N 3.08Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L183-I185 PolarHBondContact O-N 3.19Å; L183-E186 PolarHBondContact O-N 3.16Å; L183-G187 PolarHBondContact O-N 2.99Å
184A97.3Very high95.8Very high10 Ų1040.1 Ų40.18%0.08322%0.216CC..Hα-helixtrans-62.2-42.2176.400000112.5F134 L138 I180 L181 K182 G187 L188F134-A184 HydrophobicContact CE1-CB 3.94Å; F134-A184 HydrophobicContact CZ-CB 4.12Å; L138-A184 HydrophobicContact CD1-CB 4Å; L138-A184 HydrophobicContact CD2-CB 4.06Å; I180-A184 PolarHBondContact O-N 3.21Å; L181-A184 PolarHBondContact O-N 3.21Å; K182-A184 PolarHBondContact O-N 3.22Å; A184-G187 PolarHBondContact O-N 2.96Å; A184-L188 WeakPolarHBondContact O-CB 3.47Å; A184-L188 WeakPolarHBondContact O-CG 3.33Å; A184-L188 PolarHBondContact O-N 3.06Å
185I97.5Very high96Very high23 Ų2338.3 Ų38.312%0.11820%0.198CC..Hα-helixtrans-64.6-45.8177.4-68.8163.9000110.3L181 K182 L183 G187 L188 Q189 I215 F218 L219L181-I185 WeakPolarHBondContact O-CB 3.37Å; L181-I185 WeakPolarHBondContact O-CD1 3.44Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.41Å; L181-I185 PolarHBondContact O-N 3.16Å; K182-I185 PolarHBondContact O-N 2.9Å; L183-I185 PolarHBondContact O-N 3.19Å; I185-G187 VanDerWaalsContact C-N 3.33Å; I185-G187 PolarHBondContact O-N 3.35Å; I185-L188 PolarHBondContact O-N 2.92Å; I185-Q189 HydrophobicContact CG2-CB 4.19Å; I185-Q189 WeakPolarHBondContact O-CA 3.16Å; I185-Q189 WeakPolarHBondContact O-CB 3.39Å; I185-Q189 PolarHBondContact O-N 3.41Å; I185-I215 HydrophobicContact CD1-CB 3.83Å; I185-I215 HydrophobicContact CD1-CG2 4.16Å; I185-F218 HydrophobicContact CD1-CB 3.88Å; I185-F218 HydrophobicContact CD1-CD2 4.37Å; I185-F218 HydrophobicContact CG2-CB 4.2Å; I185-F218 WeakPolarHBondContact CG2-O 3.16Å; I185-L219 HydrophobicContact CD1-CD2 3.9Å; I185-L219 HydrophobicContact CD1-CG 4.39Å; I185-L219 HydrophobicContact CG1-CD2 4.16Å; I185-L219 HydrophobicContact CG2-CD2 4.19Å
186E97.6Very high96.3Very high46 Ų4634.3 Ų34.322%0.21518%0.181CC..Iπ-helixtrans-60.9-43.4178.1-173.5173171.200111.2Q75 F79 K182 L183 D190 S191Q75-E186 PolarHBondContact NE2-OE1 3.18Å; F79-E186 HydrophobicContact CD2-CB 4.48Å; F79-E186 HydrophobicContact CD2-CG 3.83Å; F79-E186 HydrophobicContact CE2-CB 4.06Å; F79-E186 HydrophobicContact CE2-CG 3.92Å; K182-E186 WeakPolarHBondContact O-CB 3.47Å; K182-E186 PolarHBondContact O-N 3.11Å; L183-E186 PolarHBondContact O-N 3.16Å; E186-D190 HydrophobicContact CG-CB 4.45Å; E186-D190 CarbonylContact O-C 3.59Å; E186-D190 WeakPolarHBondContact O-CA 3.46Å; E186-D190 WeakPolarHBondContact O-CB 3.4Å; E186-D190 PolarHBondContact O-N 2.66Å; E186-D190 VanDerWaalsContact O-N 3.13Å; E186-S191 VanDerWaalsContact O-CB 3.31Å; E186-S191 WeakPolarHBondContact O-CB 3.26Å; E186-S191 PolarHBondContact O-N 2.89Å; E186-S191 PolarHBondContact O-OG 3.24Å
187G97.5Very high96.4Very high1 Ų134.5 Ų34.51%0.0119%0.187CC..Iπ-helixtrans-60.3-51.6175.500000112.8F79 L183 A184 I185 S191 F192F79-G187 VanDerWaalsContact CZ-CA 3.41Å; L183-G187 PolarHBondContact O-N 2.99Å; A184-G187 PolarHBondContact O-N 2.96Å; I185-G187 VanDerWaalsContact C-N 3.33Å; I185-G187 PolarHBondContact O-N 3.35Å; G187-S191 CarbonylContact O-C 3.57Å; G187-F192 VanDerWaalsContact O-CB 3.23Å; G187-F192 WeakPolarHBondContact O-CB 3.23Å; G187-F192 PolarHBondContact O-N 3Å
188L96.9Very high96.6Very high36 Ų3631.2 Ų31.219%0.18817%0.167CC..Iπ-helixtrans-82.8-37.5-172.1-65.5169.8000114.3L138 I141 L142 L145 A184 I185L138-L188 HydrophobicContact CD1-CG 4.49Å; I141-L188 HydrophobicContact CG2-CD2 3.96Å; L142-L188 HydrophobicContact CD2-CD2 3.95Å; L145-L188 HydrophobicContact CD1-CD2 3.49Å; L145-L188 VanDerWaalsContact CD1-CD2 3.49Å; A184-L188 WeakPolarHBondContact O-CB 3.47Å; A184-L188 WeakPolarHBondContact O-CG 3.33Å; A184-L188 PolarHBondContact O-N 3.06Å; I185-L188 PolarHBondContact O-N 2.92Å
189Q95.9Very high96.7Very high26 Ų2629.5 Ų29.512%0.12115%0.154CC..Iπ-helixtrans-91.9-42.4-174.7-176.9-172.3-102.500112.3I185 F218 K220 T223I185-Q189 HydrophobicContact CG2-CB 4.19Å; I185-Q189 WeakPolarHBondContact O-CA 3.16Å; I185-Q189 WeakPolarHBondContact O-CB 3.39Å; I185-Q189 PolarHBondContact O-N 3.41Å; Q189-F218 PolarHBondContact NE2-O 3.23Å; Q189-K220 HydrophobicContact CG-CD 4.19Å; Q189-T223 VanDerWaalsContact OE1-CB 3.23Å; Q189-T223 PolarHBondContact OE1-OG1 2.85Å
190D95.4Very high96.9Very high30 Ų3023.4 Ų23.416%0.1612%0.121CC..Iπ-helixtrans-104.3-23.8-165.6-62.1-40.5000113.1L72 Q75 E186 K220L72-D190 WeakPolarHBondContact CD1-O 3.35Å; Q75-D190 HydrophobicContact CG-CB 4.5Å; Q75-D190 VanDerWaalsContact CG-O 3.24Å; Q75-D190 WeakPolarHBondContact CG-O 3.41Å; E186-D190 HydrophobicContact CG-CB 4.45Å; E186-D190 CarbonylContact O-C 3.59Å; E186-D190 WeakPolarHBondContact O-CA 3.46Å; E186-D190 WeakPolarHBondContact O-CB 3.4Å; E186-D190 PolarHBondContact O-N 2.66Å; E186-D190 VanDerWaalsContact O-N 3.13Å; D190-K220 WeakPolarHBondContact OD1-CE 3.43Å; D190-K220 IonicContact OD1-NZ 3.29Å; D190-K220 PolarHBondContact OD1-NZ 3.5Å
191S97.8Very high97.1Very high1 Ų122.8 Ų22.81%0.00712%0.117CC..SBendtrans-121.5-1.9-168.6-44.70000113.8Q75 Y76 F79 E186 G187Q75-S191 WeakPolarHBondContact CG-OG 3.33Å; Y76-S191 VanDerWaalsContact CA-O 3.27Å; Y76-S191 WeakPolarHBondContact CA-O 3.47Å; Y76-S191 WeakPolarHBondContact CB-O 3.29Å; Y76-S191 WeakPolarHBondContact CD2-O 3.35Å; F79-S191 WeakPolarHBondContact CB-OG 3.49Å; F79-S191 WeakPolarHBondContact CG-OG 3.16Å; E186-S191 VanDerWaalsContact O-CB 3.31Å; E186-S191 WeakPolarHBondContact O-CB 3.26Å; E186-S191 PolarHBondContact O-N 2.89Å; E186-S191 PolarHBondContact O-OG 3.24Å; G187-S191 CarbonylContact O-C 3.57Å
192F98Very high97.2Very high3 Ų321.7 Ų21.71%0.01311%0.112CC..SBendtrans-123.5136-178.7-164.9-85.5000111.4L142 L145 E146 I149 G187 A194L142-F192 HydrophobicContact CD2-CD2 4.25Å; L145-F192 VanDerWaalsContact C-CZ 3.43Å; L145-F192 HydrophobicContact CB-CD1 4.4Å; L145-F192 HydrophobicContact CB-CE1 3.66Å; L145-F192 HydrophobicContact CB-CE2 3.92Å; L145-F192 HydrophobicContact CB-CZ 3.4Å; L145-F192 HydrophobicContact CD1-CD1 4.46Å; L145-F192 HydrophobicContact CD1-CE1 4.46Å; L145-F192 WeakPolarHBondContact O-CZ 3.48Å; E146-F192 HydrophobicContact CG-CE2 3.94Å; E146-F192 WeakPolarHBondContact OE1-CE2 3.2Å; I149-F192 HydrophobicContact CB-CE1 4.46Å; I149-F192 HydrophobicContact CB-CZ 4.41Å; I149-F192 HydrophobicContact CD1-CE1 3.76Å; I149-F192 HydrophobicContact CD1-CZ 4.35Å; I149-F192 HydrophobicContact CG2-CE1 4.44Å; I149-F192 HydrophobicContact CG2-CZ 3.97Å; G187-F192 VanDerWaalsContact O-CB 3.23Å; G187-F192 WeakPolarHBondContact O-CB 3.23Å; G187-F192 PolarHBondContact O-N 3Å; F192-A194 HydrophobicContact CD1-CB 3.43Å; F192-A194 VanDerWaalsContact CD1-CB 3.43Å; F192-A194 HydrophobicContact CE1-CB 3.75Å; F192-A194 PolarHBondContact O-N 3.24Å
193P97.8Very high97.2Very high4 Ų418.8 Ų18.83%0.02610%0.101CC..  trans-76.730-177.129.8-31.9000114.5R57 F58 A61 L72 I149R57-P193 HydrophobicContact CB-CB 4.24Å; R57-P193 HydrophobicContact CB-CG 4.15Å; F58-P193 HydrophobicContact CD1-CB 4.04Å; F58-P193 HydrophobicContact CD1-CG 4.38Å; F58-P193 HydrophobicContact CE1-CB 4.11Å; F58-P193 HydrophobicContact CE1-CG 3.98Å; F58-P193 HydrophobicContact CE2-CG 4.14Å; F58-P193 HydrophobicContact CG-CB 4.24Å; F58-P193 HydrophobicContact CZ-CB 4.39Å; F58-P193 HydrophobicContact CZ-CG 3.85Å; A61-P193 HydrophobicContact CB-CB 3.88Å; A61-P193 WeakPolarHBondContact CB-O 3.48Å; L72-P193 HydrophobicContact CD2-CB 4.12Å; I149-P193 HydrophobicContact CD1-CB 4.23Å; I149-P193 HydrophobicContact CD1-CG 3.91Å; I149-P193 VanDerWaalsContact CD1-O 3.28Å; I149-P193 WeakPolarHBondContact CD1-O 3.26Å
194A94.9Very high97Very high12 Ų1218.6 Ų18.610%0.09910%0.099CC..  trans-84.1146.8177.300000112.2F159 F192 F196F159-A194 HydrophobicContact CD2-CB 3.81Å; F159-A194 HydrophobicContact CE2-CB 3.93Å; F192-A194 HydrophobicContact CD1-CB 3.43Å; F192-A194 VanDerWaalsContact CD1-CB 3.43Å; F192-A194 HydrophobicContact CE1-CB 3.75Å; F192-A194 PolarHBondContact O-N 3.24Å; A194-F196 HydrophobicContact CB-CD2 4.23Å; A194-F196 HydrophobicContact CB-CE2 3.71Å; A194-F196 HydrophobicContact CB-CZ 4.24Å
195R95.9Very high96.8Very high32 Ų3219.7 Ų19.712%0.12111%0.106CC..  trans-109.997.6172-67.4173.268.5-104.111.5109.2E20 I156 G158 F159 G197E20-R195 IonicContact OE2-NH2 3.07Å; E20-R195 PolarHBondContact OE2-NH2 3.47Å; I156-R195 PolarHBondContact O-NH1 2.86Å; G158-R195 CarbonylContact C-O 3.57Å; G158-R195 WeakPolarHBondContact CA-O 3.28Å; F159-R195 PolarHBondContact N-O 3.04Å; R195-G197 PolarHBondContact O-N 2.94Å
196F96.7Very high96.4Very high30 Ų3028.4 Ų28.413%0.13214%0.137CC..EExtended strand (participates in β ladder)trans-78.7118.2174.6-71.1-82.6000111.2L145 F159 L161 A194 R226L145-F196 HydrophobicContact CD1-CZ 4.15Å; L145-F196 HydrophobicContact CD2-CZ 4.36Å; F159-F196 HydrophobicContact CB-CD1 3.86Å; F159-F196 HydrophobicContact CB-CE1 3.82Å; F159-F196 CarbonylContact O-C 3.37Å; F159-F196 VanDerWaalsContact O-CA 3.3Å; F159-F196 WeakPolarHBondContact O-CA 3.48Å; L161-F196 HydrophobicContact CB-CD1 4.45Å; L161-F196 HydrophobicContact CB-CE1 4.44Å; A194-F196 HydrophobicContact CB-CD2 4.23Å; A194-F196 HydrophobicContact CB-CE2 3.71Å; A194-F196 HydrophobicContact CB-CZ 4.24Å; F196-R226 WeakPolarHBondContact O-CD 3.47Å; F196-R226 PolarHBondContact O-NE 3.08Å; F196-R226 PolarHBondContact O-NH1 3.34Å
197G96.3Very high96.1Very high21 Ų2126.9 Ų26.922%0.21613%0.129CC..EExtended strand (participates in β ladder)trans-75.5-31.8175.100000113.2F159 R195F159-G197 PolarHBondContact O-N 3.44Å; R195-G197 PolarHBondContact O-N 2.94Å
198G97.8Very high95.9Very high0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-165151.817700000112.3L161 R226L161-G198 PolarHBondContact N-O 3.14Å; G198-R226 CarbonylContact C-O 3.35Å; G198-R226 WeakPolarHBondContact CA-O 3.45Å
199I98.3Very high95.6Very high26 Ų2631.2 Ų31.213%0.13315%0.148CC..EExtended strand (participates in β ladder)trans-125.3107.6173.3-55.7172000106.6L161 I163 F201 T223 R226 I227 F228L161-I199 HydrophobicContact CB-CG1 4.4Å; L161-I199 HydrophobicContact CB-CG2 4.39Å; L161-I199 HydrophobicContact CD2-CG2 4.13Å; L161-I199 HydrophobicContact CG-CG2 4.39Å; L161-I199 CarbonylContact O-C 3.53Å; L161-I199 WeakPolarHBondContact O-CA 3.37Å; I163-I199 HydrophobicContact CD1-CG2 4.24Å; I199-F201 HydrophobicContact CG2-CD2 4.33Å; I199-F201 HydrophobicContact CG2-CE2 3.69Å; I199-F201 HydrophobicContact CG2-CZ 4.35Å; I199-T223 HydrophobicContact CD1-CG2 4.16Å; I199-R226 PolarHBondContact N-O 3.39Å; I199-I227 HydrophobicContact CB-CG1 4.19Å; I199-I227 HydrophobicContact CD1-CG1 4.26Å; I199-I227 CarbonylContact O-C 3.55Å; I199-I227 WeakPolarHBondContact O-CA 3.5Å; I199-F228 PolarHBondContact O-N 3.09Å
200H98.6Very high95.4Very high3 Ų332.6 Ų32.61%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-109.4115.9-167.7-60.7-92.4000109.6L161 I162 I163 F228 H230 L237L161-H200 PolarHBondContact O-N 2.8Å; I162-H200 CarbonylContact C-O 3.56Å; I162-H200 WeakPolarHBondContact CA-O 3.48Å; I162-H200 HydrophobicContact CG1-CB 4.34Å; I163-H200 PolarHBondContact N-O 3.35Å; H200-F228 AromaticContact CE1-CD2 3.45Å; H200-F228 VanDerWaalsContact CE1-CD2 3.45Å; H200-F228 WeakPolarHBondContact CE1-CD2 3.38Å; H200-F228 AromaticContact CE1-CE2 3.99Å; H200-F228 AromaticContact ND1-CD2 3.72Å; H200-F228 AromaticContact NE2-CD2 3.94Å; H200-H230 AromaticContact CG-NE2 3.65Å; H200-H230 AromaticContact ND1-CE1 3.77Å; H200-H230 AromaticContact ND1-NE2 2.93Å; H200-H230 PolarHBondContact ND1-NE2 3.45Å; H200-L237 HydrophobicContact CB-CD1 3.71Å
201F98.1Very high95.3Very high22 Ų2232.2 Ų32.210%0.09616%0.162CC..EExtended strand (participates in β ladder)trans-96.1126.3171.2-67.3-101.7000108.6I163 W165 I199 Q204 I208 I227 F228 L229 H230I163-F201 HydrophobicContact CB-CD1 4.14Å; I163-F201 HydrophobicContact CB-CE1 4.28Å; I163-F201 HydrophobicContact CD1-CD1 4.37Å; I163-F201 HydrophobicContact CD1-CE1 3.72Å; I163-F201 HydrophobicContact CD1-CE2 4.29Å; I163-F201 HydrophobicContact CD1-CZ 3.68Å; I163-F201 HydrophobicContact CG1-CE1 4.5Å; I163-F201 HydrophobicContact CG2-CE1 4.45Å; I163-F201 WeakPolarHBondContact O-CA 3.46Å; W165-F201 AromaticContact CD1-CD1 3.81Å; W165-F201 AromaticContact CE2-CD1 3.76Å; W165-F201 AromaticContact CE2-CE1 3.8Å; W165-F201 HydrophobicContact CZ2-CD1 4.18Å; W165-F201 AromaticContact CZ2-CE1 3.83Å; W165-F201 HydrophobicContact CZ2-CE1 3.83Å; W165-F201 AromaticContact NE1-CD1 3.3Å; W165-F201 VanDerWaalsContact NE1-CD1 3.3Å; W165-F201 AromaticContact NE1-CE1 3.47Å; I199-F201 HydrophobicContact CG2-CD2 4.33Å; I199-F201 HydrophobicContact CG2-CE2 3.69Å; I199-F201 HydrophobicContact CG2-CZ 4.35Å; F201-Q204 HydrophobicContact CB-CB 4.46Å; F201-Q204 PolarHBondContact O-OE1 3.33Å; F201-I208 HydrophobicContact CD1-CD1 4.01Å; F201-I208 HydrophobicContact CE1-CD1 4.17Å; F201-I227 HydrophobicContact CD2-CG2 4.06Å; F201-I227 HydrophobicContact CE2-CG2 3.9Å; F201-F228 PolarHBondContact N-O 3.28Å; F201-L229 HydrophobicContact CB-CD2 3.69Å; F201-L229 HydrophobicContact CD2-CD2 3.76Å; F201-L229 HydrophobicContact CG-CD2 3.82Å; F201-H230 WeakPolarHBondContact O-CB 3.48Å; F201-H230 PolarHBondContact O-CD2 3.32Å; F201-H230 PolarHBondContact O-N 3.17Å
202V98.1Very high95.1Very high0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-118.8154.3173.3-57.90000110.1I163 D164 W165 Q204 H230 L234 L237 F250I163-V202 PolarHBondContact O-N 2.91Å; D164-V202 HydrophobicContact CB-CG2 4Å; W165-V202 PolarHBondContact N-O 3.34Å; V202-Q204 PolarHBondContact O-N 2.93Å; V202-H230 HydrophobicContact CG1-CB 4.09Å; V202-L234 HydrophobicContact CB-CD2 4.35Å; V202-L234 HydrophobicContact CG1-CD2 4.14Å; V202-L237 HydrophobicContact CG1-CD1 4.5Å; V202-L237 HydrophobicContact CG1-CD2 4.06Å; V202-F250 HydrophobicContact CG2-CD1 3.89Å; V202-F250 HydrophobicContact CG2-CE1 3.65Å
203N96.8Very high94.9Very high37 Ų3739.2 Ų39.220%0.19820%0.199CC..SBendtrans53.827.7179-53.7-50.4000113.4D164 W165 S166 G231D164-N203 PolarHBondContact OD1-ND2 3.17Å; W165-N203 CarbonylContact C-O 3.47Å; S166-N203 WeakPolarHBondContact OG-CB 3.29Å; S166-N203 VanDerWaalsContact OG-CG 3.27Å; S166-N203 PolarHBondContact OG-ND2 2.79Å; N203-G231 PolarHBondContact N-O 3.19Å
204Q94.6Very high94.7Very high27 Ų2742.1 Ų42.113%0.12621%0.214CC..  trans-74.4134.6-176.177-74.4-7.300111.8W165 F201 V202 I208 G231W165-Q204 HydrophobicContact CB-CB 4.01Å; W165-Q204 HydrophobicContact CD2-CB 4.36Å; W165-Q204 HydrophobicContact CE3-CB 4.48Å; W165-Q204 HydrophobicContact CG-CB 4.19Å; F201-Q204 HydrophobicContact CB-CB 4.46Å; F201-Q204 PolarHBondContact O-OE1 3.33Å; V202-Q204 PolarHBondContact O-N 2.93Å; Q204-I208 HydrophobicContact CB-CB 4.07Å; Q204-I208 HydrophobicContact CB-CD1 4.43Å; Q204-I208 HydrophobicContact CB-CG1 4.14Å; Q204-I208 HydrophobicContact CB-CG2 4.37Å; Q204-I208 HydrophobicContact CG-CB 3.81Å; Q204-I208 HydrophobicContact CG-CG1 3.9Å; Q204-I208 HydrophobicContact CG-CG2 3.6Å; Q204-G231 VanDerWaalsContact CD-N 3.27Å; Q204-G231 VanDerWaalsContact NE2-CA 3.31Å; Q204-G231 VanDerWaalsContact OE1-CA 3.27Å
205P92.7Very high94.7Very high34 Ų3442.8 Ų42.822%0.22122%0.216CC..  trans-77.8171.6-179.533.1-34.6000111.8W165 Y207 I208W165-P205 HydrophobicContact CE3-CG 4.04Å; P205-Y207 HydrophobicContact CB-CD1 4.05Å; P205-Y207 HydrophobicContact CB-CE1 3.68Å; P205-Y207 HydrophobicContact CG-CD1 3.93Å; P205-Y207 HydrophobicContact CG-CD2 4Å; P205-Y207 HydrophobicContact CG-CE1 3.4Å; P205-Y207 HydrophobicContact CG-CE2 3.47Å; P205-Y207 VanDerWaalsContact CG-CE2 3.47Å; P205-Y207 HydrophobicContact CG-CG 4.21Å; P205-Y207 WeakPolarHBondContact CG-OH 3.44Å; P205-Y207 PolarHBondContact O-N 3.34Å; P205-I208 WeakPolarHBondContact O-CB 3.33Å; P205-I208 WeakPolarHBondContact O-CG2 3.12Å; P205-I208 PolarHBondContact O-N 2.87Å
206W89.5Confident94.7Very high206 Ų20646 Ų4678%0.7823%0.231SC*.THydrogen-bonded Turntrans-53-31.6-175.866.7-95.2000114.4I208W206-I208 VanDerWaalsContact C-N 3.26Å; W206-I208 PolarHBondContact O-N 3Å
207Y90.5Very high94.7Very high13 Ų1349.4 Ų49.45%0.05126%0.255CS..THydrogen-bonded Turntrans-79.1-1.2-177.656.3-103.4000114.3W165 F168 S169 F170 A173 P205 H209 A210 M211W165-Y207 HydrophobicContact CE3-CE2 4.21Å; W165-Y207 HydrophobicContact CZ3-CD2 4.17Å; W165-Y207 AromaticContact CZ3-CE2 3.73Å; W165-Y207 HydrophobicContact CZ3-CE2 3.73Å; F168-Y207 PolarHBondContact O-OH 2.93Å; S169-Y207 PolarHBondContact O-OH 3.46Å; F170-Y207 HydrophobicContact CB-CD1 4.4Å; F170-Y207 HydrophobicContact CB-CE1 3.95Å; F170-Y207 AromaticContact CD2-CD1 3.82Å; F170-Y207 HydrophobicContact CD2-CD1 3.82Å; F170-Y207 HydrophobicContact CD2-CD2 4.36Å; F170-Y207 HydrophobicContact CD2-CE1 4.16Å; F170-Y207 AromaticContact CD2-CG 3.91Å; F170-Y207 HydrophobicContact CD2-CG 3.91Å; F170-Y207 PolarHBondContact N-OH 2.86Å; A173-Y207 HydrophobicContact CB-CD2 4.19Å; A173-Y207 HydrophobicContact CB-CE2 3.61Å; P205-Y207 HydrophobicContact CB-CD1 4.05Å; P205-Y207 HydrophobicContact CB-CE1 3.68Å; P205-Y207 HydrophobicContact CG-CD1 3.93Å; P205-Y207 HydrophobicContact CG-CD2 4Å; P205-Y207 HydrophobicContact CG-CE1 3.4Å; P205-Y207 HydrophobicContact CG-CE2 3.47Å; P205-Y207 VanDerWaalsContact CG-CE2 3.47Å; P205-Y207 HydrophobicContact CG-CG 4.21Å; P205-Y207 WeakPolarHBondContact CG-OH 3.44Å; P205-Y207 PolarHBondContact O-N 3.34Å; Y207-H209 PolarHBondContact O-N 2.93Å; Y207-A210 PolarHBondContact O-N 2.98Å; Y207-A210 VanDerWaalsContact O-N 3.15Å; Y207-M211 PolarHBondContact O-N 2.93Å
208I92.6Very high94.7Very high8 Ų851.4 Ų51.44%0.04126%0.258CS..Hα-helixtrans-55.8-34.3173.2-17064.7000111.8W165 F201 Q204 P205 W206 A210 M211 Y212 L229W165-I208 HydrophobicContact CD2-CD1 4.28Å; W165-I208 HydrophobicContact CE3-CD1 4.12Å; W165-I208 HydrophobicContact CH2-CD1 3.37Å; W165-I208 HydrophobicContact CZ2-CD1 3.59Å; W165-I208 HydrophobicContact CZ3-CD1 3.65Å; F201-I208 HydrophobicContact CD1-CD1 4.01Å; F201-I208 HydrophobicContact CE1-CD1 4.17Å; Q204-I208 HydrophobicContact CB-CB 4.07Å; Q204-I208 HydrophobicContact CB-CD1 4.43Å; Q204-I208 HydrophobicContact CB-CG1 4.14Å; Q204-I208 HydrophobicContact CB-CG2 4.37Å; Q204-I208 HydrophobicContact CG-CB 3.81Å; Q204-I208 HydrophobicContact CG-CG1 3.9Å; Q204-I208 HydrophobicContact CG-CG2 3.6Å; P205-I208 WeakPolarHBondContact O-CB 3.33Å; P205-I208 WeakPolarHBondContact O-CG2 3.12Å; P205-I208 PolarHBondContact O-N 2.87Å; W206-I208 VanDerWaalsContact C-N 3.26Å; W206-I208 PolarHBondContact O-N 3Å; I208-A210 VanDerWaalsContact C-N 3.33Å; I208-A210 PolarHBondContact O-N 3.48Å; I208-M211 PolarHBondContact O-N 2.86Å; I208-Y212 WeakPolarHBondContact O-CB 3.37Å; I208-Y212 PolarHBondContact O-N 2.71Å; I208-L229 HydrophobicContact CG1-CD1 4.48Å; I208-L229 HydrophobicContact CG1-CD2 4.05Å; I208-L229 HydrophobicContact CG2-CD1 4.45Å
209H91.8Very high94.7Very high120 Ų12052 Ų5256%0.55626%0.261SS*.Hα-helixtrans-67.7-35.5-178.4-67.8-65.9000112.2Y207 T213Y207-H209 PolarHBondContact O-N 2.93Å; H209-T213 WeakPolarHBondContact O-CB 3.37Å; H209-T213 PolarHBondContact O-N 3.28Å; H209-T213 PolarHBondContact O-OG1 3.16Å
210A91.9Very high94.6Very high56 Ų5654.5 Ų54.546%0.46327%0.271SS..Hα-helixtrans-65.8-46.5172.800000110.4Y207 I208 Y212 T213 I214Y207-A210 PolarHBondContact O-N 2.98Å; Y207-A210 VanDerWaalsContact O-N 3.15Å; I208-A210 VanDerWaalsContact C-N 3.33Å; I208-A210 PolarHBondContact O-N 3.48Å; A210-Y212 PolarHBondContact O-N 3.41Å; A210-T213 WeakPolarHBondContact O-CB 3.4Å; A210-T213 PolarHBondContact O-N 3.39Å; A210-T213 VanDerWaalsContact O-N 3.16Å; A210-I214 WeakPolarHBondContact O-CG1 3.16Å; A210-I214 PolarHBondContact O-N 3.38Å; A210-I214 VanDerWaalsContact O-N 3.08Å
211M92.1Very high94.5Very high22 Ų2259 Ų5911%0.10830%0.296CS..Hα-helixtrans-60-43.6175.6-67.1-55.4-57.400112.4W165 L176 L181 Y207 I208 T213 I214 I215W165-M211 HydrophobicContact CH2-CB 4.42Å; W165-M211 HydrophobicContact CH2-CG 4.22Å; L176-M211 HydrophobicContact CB-CE 3.7Å; L176-M211 HydrophobicContact CD1-CE 4.13Å; L181-M211 HydrophobicContact CD1-CE 3.59Å; Y207-M211 PolarHBondContact O-N 2.93Å; I208-M211 PolarHBondContact O-N 2.86Å; M211-T213 VanDerWaalsContact C-N 3.3Å; M211-T213 PolarHBondContact O-N 3Å; M211-I214 WeakPolarHBondContact O-CB 3.43Å; M211-I214 PolarHBondContact O-N 3.03Å; M211-I214 HydrophobicContact SD-CD1 4.19Å; M211-I215 PolarHBondContact O-N 3.18Å; M211-I215 VanDerWaalsContact O-N 3.14Å
212Y94Very high94.3Very high55 Ų5563.1 Ų63.122%0.21631%0.313CS..Hα-helixtrans-60.3-41.4175.7-176.5-98.5000111.4I208 A210 I214 I215 K216 L219 I227I208-Y212 WeakPolarHBondContact O-CB 3.37Å; I208-Y212 PolarHBondContact O-N 2.71Å; A210-Y212 PolarHBondContact O-N 3.41Å; Y212-I214 VanDerWaalsContact C-N 3.29Å; Y212-I214 PolarHBondContact O-N 3.22Å; Y212-I215 HydrophobicContact CD2-CD1 4.43Å; Y212-I215 HydrophobicContact CD2-CG1 4.49Å; Y212-I215 WeakPolarHBondContact O-CG1 3.46Å; Y212-I215 PolarHBondContact O-N 3.39Å; Y212-K216 HydrophobicContact CE1-CB 4.32Å; Y212-K216 HydrophobicContact CE1-CD 4.07Å; Y212-K216 HydrophobicContact CE1-CG 4.29Å; Y212-K216 VanDerWaalsContact O-CB 3.25Å; Y212-K216 WeakPolarHBondContact O-CB 3.32Å; Y212-K216 PolarHBondContact O-N 3.49Å; Y212-L219 HydrophobicContact CE2-CD1 4.15Å; Y212-I227 HydrophobicContact CE2-CD1 4.01Å; Y212-I227 HydrophobicContact CE2-CG2 4.24Å
213T94.3Very high94.2Very high95 Ų9564.4 Ų64.458%0.58332%0.321SS*.Hα-helixtrans-62.5-37.6177.5-58.60000111.8H209 A210 M211 P217H209-T213 WeakPolarHBondContact O-CB 3.37Å; H209-T213 PolarHBondContact O-N 3.28Å; H209-T213 PolarHBondContact O-OG1 3.16Å; A210-T213 WeakPolarHBondContact O-CB 3.4Å; A210-T213 PolarHBondContact O-N 3.39Å; A210-T213 VanDerWaalsContact O-N 3.16Å; M211-T213 VanDerWaalsContact C-N 3.3Å; M211-T213 PolarHBondContact O-N 3Å; T213-P217 WeakPolarHBondContact O-CD 3.37Å
214I94.1Very high94.2Very high65 Ų6566.3 Ų66.333%0.33333%0.326SS..Hα-helixtrans-64-42.9175.7-68.2166.3000111.4P178 L181 A210 M211 Y212 P217 F218P178-I214 HydrophobicContact CB-CG2 4Å; P178-I214 HydrophobicContact CG-CG2 3.82Å; L181-I214 HydrophobicContact CD1-CG2 4.26Å; A210-I214 WeakPolarHBondContact O-CG1 3.16Å; A210-I214 PolarHBondContact O-N 3.38Å; A210-I214 VanDerWaalsContact O-N 3.08Å; M211-I214 WeakPolarHBondContact O-CB 3.43Å; M211-I214 PolarHBondContact O-N 3.03Å; M211-I214 HydrophobicContact SD-CD1 4.19Å; Y212-I214 VanDerWaalsContact C-N 3.29Å; Y212-I214 PolarHBondContact O-N 3.22Å; I214-P217 WeakPolarHBondContact O-CD 3.47Å; I214-F218 WeakPolarHBondContact O-CE2 3.48Å
215I94.9Very high94.3Very high27 Ų2773 Ų7314%0.13835%0.354CS..Hα-helixtrans-85.3-23.8-176.765.2173.5000114L181 I185 M211 Y212 P217 F218 L219L181-I215 HydrophobicContact CB-CG2 3.83Å; L181-I215 HydrophobicContact CD1-CG2 3.6Å; L181-I215 HydrophobicContact CD2-CG2 4.39Å; L181-I215 HydrophobicContact CG-CG2 4.15Å; I185-I215 HydrophobicContact CD1-CB 3.83Å; I185-I215 HydrophobicContact CD1-CG2 4.16Å; M211-I215 PolarHBondContact O-N 3.18Å; M211-I215 VanDerWaalsContact O-N 3.14Å; Y212-I215 HydrophobicContact CD2-CD1 4.43Å; Y212-I215 HydrophobicContact CD2-CG1 4.49Å; Y212-I215 WeakPolarHBondContact O-CG1 3.46Å; Y212-I215 PolarHBondContact O-N 3.39Å; I215-P217 VanDerWaalsContact C-N 3.29Å; I215-P217 VanDerWaalsContact O-N 3.14Å; I215-F218 WeakPolarHBondContact O-CB 3.49Å; I215-F218 PolarHBondContact O-N 3.45Å; I215-L219 HydrophobicContact CD1-CD1 3.96Å; I215-L219 HydrophobicContact CG1-CD1 3.94Å; I215-L219 HydrophobicContact CG1-CG 4.5Å; I215-L219 PolarHBondContact O-N 3.43Å
216K95.6Very high94.6Very high100 Ų10074.7 Ų74.744%0.43536%0.356SS..G310 helixtrans-49.8-38.2-175.9-176.6-178.8-178.4-177.40114.6Y212 F218 L219Y212-K216 HydrophobicContact CE1-CB 4.32Å; Y212-K216 HydrophobicContact CE1-CD 4.07Å; Y212-K216 HydrophobicContact CE1-CG 4.29Å; Y212-K216 VanDerWaalsContact O-CB 3.25Å; Y212-K216 WeakPolarHBondContact O-CB 3.32Å; Y212-K216 PolarHBondContact O-N 3.49Å; K216-F218 PolarHBondContact O-N 3.28Å; K216-L219 PolarHBondContact O-N 3.45Å
217P96.6Very high95Very high100 Ų10066 Ų6665%0.64933%0.325SS*.G310 helixtrans-64.1-25.3175.8-23.535.7000114.3T213 I214 I215T213-P217 WeakPolarHBondContact O-CD 3.37Å; I214-P217 WeakPolarHBondContact O-CD 3.47Å; I215-P217 VanDerWaalsContact C-N 3.29Å; I215-P217 VanDerWaalsContact O-N 3.14Å
218F96.4Very high95.3Very high64 Ų6468.5 Ų68.528%0.28134%0.336SS..G310 helixtrans-91.5-12.8-179.6-46.8-51.2000112.7P178 K182 I185 Q189 I214 I215 K216P178-F218 HydrophobicContact CB-CE2 4.48Å; K182-F218 HydrophobicContact CB-CD1 4.3Å; K182-F218 HydrophobicContact CB-CD2 3.98Å; K182-F218 HydrophobicContact CB-CE1 4.31Å; K182-F218 HydrophobicContact CB-CE2 3.99Å; K182-F218 HydrophobicContact CB-CG 4.14Å; K182-F218 HydrophobicContact CB-CZ 4.16Å; K182-F218 HydrophobicContact CD-CD1 4.08Å; K182-F218 HydrophobicContact CD-CE1 3.9Å; K182-F218 HydrophobicContact CD-CZ 4.39Å; K182-F218 HydrophobicContact CG-CD1 3.86Å; K182-F218 HydrophobicContact CG-CD2 4.39Å; K182-F218 HydrophobicContact CG-CE1 4.07Å; K182-F218 HydrophobicContact CG-CG 4.04Å; K182-F218 HydrophobicContact CG-CZ 4.43Å; I185-F218 HydrophobicContact CD1-CB 3.88Å; I185-F218 HydrophobicContact CD1-CD2 4.37Å; I185-F218 HydrophobicContact CG2-CB 4.2Å; I185-F218 WeakPolarHBondContact CG2-O 3.16Å; Q189-F218 PolarHBondContact NE2-O 3.23Å; I214-F218 WeakPolarHBondContact O-CE2 3.48Å; I215-F218 WeakPolarHBondContact O-CB 3.49Å; I215-F218 PolarHBondContact O-N 3.45Å; K216-F218 PolarHBondContact O-N 3.28Å
219L96.7Very high95.5Very high13 Ų1371.2 Ų71.27%0.06835%0.35CS..  trans-88.7129-177.2-64.2175.5000112.2I185 Y212 I215 K216 T223 R224 I227I185-L219 HydrophobicContact CD1-CD2 3.9Å; I185-L219 HydrophobicContact CD1-CG 4.39Å; I185-L219 HydrophobicContact CG1-CD2 4.16Å; I185-L219 HydrophobicContact CG2-CD2 4.19Å; Y212-L219 HydrophobicContact CE2-CD1 4.15Å; I215-L219 HydrophobicContact CD1-CD1 3.96Å; I215-L219 HydrophobicContact CG1-CD1 3.94Å; I215-L219 HydrophobicContact CG1-CG 4.5Å; I215-L219 PolarHBondContact O-N 3.43Å; K216-L219 PolarHBondContact O-N 3.45Å; L219-T223 HydrophobicContact CD2-CG2 3.87Å; L219-R224 HydrophobicContact CB-CG 3.65Å; L219-R224 HydrophobicContact CD1-CG 4.27Å; L219-I227 HydrophobicContact CD1-CD1 3.46Å; L219-I227 VanDerWaalsContact CD1-CD1 3.46Å; L219-I227 HydrophobicContact CD2-CD1 4.39Å
220K96.2Very high95.8Very high78 Ų7866.3 Ų66.334%0.33933%0.327SS..  trans-67.9153.3168-72.4173.6-179.4170.50111Q189 D190 K222 T223 R224Q189-K220 HydrophobicContact CG-CD 4.19Å; D190-K220 WeakPolarHBondContact OD1-CE 3.43Å; D190-K220 IonicContact OD1-NZ 3.29Å; D190-K220 PolarHBondContact OD1-NZ 3.5Å; K220-K222 PolarHBondContact O-N 3.05Å; K220-K222 VanDerWaalsContact O-N 3.16Å; K220-T223 WeakPolarHBondContact O-CB 3.41Å; K220-T223 PolarHBondContact O-N 2.98Å; K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 3.03Å
221D96.6Very high96Very high98 Ų9864.5 Ų64.552%0.52432%0.315SS..Hα-helixtrans-51.2-42.1178.5-83.6-45.5000113.9T223 R224 K225D221-T223 VanDerWaalsContact C-N 3.34Å; D221-T223 PolarHBondContact O-N 3.41Å; D221-R224 PolarHBondContact O-N 3.17Å; D221-R224 IonicContact OD1-CZ 3.54Å; D221-R224 IonicContact OD1-NE 2.74Å; D221-R224 PolarHBondContact OD1-NE 3.27Å; D221-R224 IonicContact OD1-NH2 3.4Å; D221-R224 PolarHBondContact OD1-NH2 3.44Å; D221-R224 IonicContact OD2-NH2 3.96Å; D221-K225 WeakPolarHBondContact O-CG 3.32Å; D221-K225 PolarHBondContact O-N 2.98Å; D221-K225 VanDerWaalsContact O-N 3.08Å
222K94.5Very high96Very high107 Ų10769.8 Ų69.847%0.46534%0.343SS..Hα-helixtrans-61.6-41.9178.5-171.7178.2180-176.20111.9K220 R226K220-K222 PolarHBondContact O-N 3.05Å; K220-K222 VanDerWaalsContact O-N 3.16Å; K222-R226 VanDerWaalsContact CE-CZ 3.45Å; K222-R226 WeakPolarHBondContact O-CD 3.29Å; K222-R226 VanDerWaalsContact O-CG 3.31Å; K222-R226 WeakPolarHBondContact O-CG 3.45Å
223T96Very high96Very high27 Ų2771 Ų7117%0.16635%0.354CS..Hα-helixtrans-70.5-41.8177.6-47.80000110.8Q189 I199 L219 K220 D221 K225 R226 I227Q189-T223 VanDerWaalsContact OE1-CB 3.23Å; Q189-T223 PolarHBondContact OE1-OG1 2.85Å; I199-T223 HydrophobicContact CD1-CG2 4.16Å; L219-T223 HydrophobicContact CD2-CG2 3.87Å; K220-T223 WeakPolarHBondContact O-CB 3.41Å; K220-T223 PolarHBondContact O-N 2.98Å; D221-T223 VanDerWaalsContact C-N 3.34Å; D221-T223 PolarHBondContact O-N 3.41Å; T223-K225 VanDerWaalsContact C-N 3.28Å; T223-K225 PolarHBondContact O-N 3.06Å; T223-R226 CarbonylContact O-C 3.49Å; T223-R226 WeakPolarHBondContact O-CA 3.35Å; T223-R226 PolarHBondContact O-N 3.32Å; T223-I227 PolarHBondContact O-N 2.65Å
224R96.7Very high96.1Very high78 Ų7868.4 Ų68.429%0.29434%0.336SS..Hα-helixtrans-55.3-43.4176-68.3-166.4-76.3-137.28.2112.3L219 K220 D221 R226 I227L219-R224 HydrophobicContact CB-CG 3.65Å; L219-R224 HydrophobicContact CD1-CG 4.27Å; K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 3.03Å; D221-R224 PolarHBondContact O-N 3.17Å; D221-R224 IonicContact OD1-CZ 3.54Å; D221-R224 IonicContact OD1-NE 2.74Å; D221-R224 PolarHBondContact OD1-NE 3.27Å; D221-R224 IonicContact OD1-NH2 3.4Å; D221-R224 PolarHBondContact OD1-NH2 3.44Å; D221-R224 IonicContact OD2-NH2 3.96Å; R224-R226 PolarHBondContact O-N 2.95Å; R224-I227 PolarHBondContact O-N 2.83Å
225K97.4Very high96.2Very high166 Ų16670.5 Ų70.572%0.72235%0.348SS*.THydrogen-bonded Turntrans-69.3-12177.6-69.6176-177-178.50114.2D221 T223D221-K225 WeakPolarHBondContact O-CG 3.32Å; D221-K225 PolarHBondContact O-N 2.98Å; D221-K225 VanDerWaalsContact O-N 3.08Å; T223-K225 VanDerWaalsContact C-N 3.28Å; T223-K225 PolarHBondContact O-N 3.06Å
226R97.4Very high96.3Very high70 Ų7070.5 Ų70.526%0.26435%0.35SS..THydrogen-bonded Turntrans-107.31.7-178.5-70.5172.1170.3-168.4-6.5112.7F196 G198 I199 K222 T223 R224 F228F196-R226 WeakPolarHBondContact O-CD 3.47Å; F196-R226 PolarHBondContact O-NE 3.08Å; F196-R226 PolarHBondContact O-NH1 3.34Å; G198-R226 CarbonylContact C-O 3.35Å; G198-R226 WeakPolarHBondContact CA-O 3.45Å; I199-R226 PolarHBondContact N-O 3.39Å; K222-R226 VanDerWaalsContact CE-CZ 3.45Å; K222-R226 WeakPolarHBondContact O-CD 3.29Å; K222-R226 VanDerWaalsContact O-CG 3.31Å; K222-R226 WeakPolarHBondContact O-CG 3.45Å; T223-R226 CarbonylContact O-C 3.49Å; T223-R226 WeakPolarHBondContact O-CA 3.35Å; T223-R226 PolarHBondContact O-N 3.32Å; R224-R226 PolarHBondContact O-N 2.95Å; R226-F228 VanDerWaalsContact O-CD2 3.26Å; R226-F228 WeakPolarHBondContact O-CD2 3.4Å; R226-F228 VanDerWaalsContact O-CE2 3.28Å; R226-F228 WeakPolarHBondContact O-CE2 3.35Å
227I97.9Very high96.5Very high24 Ų2465.8 Ų65.812%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-91.4123172.5-68.2166.2000108.3I199 F201 Y212 L219 T223 R224 L229I199-I227 HydrophobicContact CB-CG1 4.19Å; I199-I227 HydrophobicContact CD1-CG1 4.26Å; I199-I227 CarbonylContact O-C 3.55Å; I199-I227 WeakPolarHBondContact O-CA 3.5Å; F201-I227 HydrophobicContact CD2-CG2 4.06Å; F201-I227 HydrophobicContact CE2-CG2 3.9Å; Y212-I227 HydrophobicContact CE2-CD1 4.01Å; Y212-I227 HydrophobicContact CE2-CG2 4.24Å; L219-I227 HydrophobicContact CD1-CD1 3.46Å; L219-I227 VanDerWaalsContact CD1-CD1 3.46Å; L219-I227 HydrophobicContact CD2-CD1 4.39Å; T223-I227 PolarHBondContact O-N 2.65Å; R224-I227 PolarHBondContact O-N 2.83Å; I227-L229 HydrophobicContact CG2-CD2 4.26Å
228F97.8Very high96.5Very high66 Ų6663 Ų6329%0.28931%0.308SS..EExtended strand (participates in β ladder)trans-118.3129.6-179.9-56.4-81.2000109.4I199 H200 F201 R226 H230 L240I199-F228 PolarHBondContact O-N 3.09Å; H200-F228 AromaticContact CE1-CD2 3.45Å; H200-F228 VanDerWaalsContact CE1-CD2 3.45Å; H200-F228 WeakPolarHBondContact CE1-CD2 3.38Å; H200-F228 AromaticContact CE1-CE2 3.99Å; H200-F228 AromaticContact ND1-CD2 3.72Å; H200-F228 AromaticContact NE2-CD2 3.94Å; F201-F228 PolarHBondContact N-O 3.28Å; R226-F228 VanDerWaalsContact O-CD2 3.26Å; R226-F228 WeakPolarHBondContact O-CD2 3.4Å; R226-F228 VanDerWaalsContact O-CE2 3.28Å; R226-F228 WeakPolarHBondContact O-CE2 3.35Å; F228-H230 WeakPolarHBondContact CB-NE2 3.4Å; F228-L240 HydrophobicContact CB-CD1 4.38Å; F228-L240 HydrophobicContact CD1-CD1 3.65Å; F228-L240 HydrophobicContact CD2-CD1 4.09Å; F228-L240 HydrophobicContact CE1-CD1 3.86Å; F228-L240 HydrophobicContact CE2-CD1 4.28Å; F228-L240 HydrophobicContact CG-CD1 3.77Å; F228-L240 HydrophobicContact CZ-CD1 4.18Å
229L97.2Very high96.6Very high65 Ų6567.6 Ų67.634%0.3433%0.33SS..EExtended strand (participates in β ladder)trans-110.8104.9178.9-61-173.7000108.1F201 I208 I227F201-L229 HydrophobicContact CB-CD2 3.69Å; F201-L229 HydrophobicContact CD2-CD2 3.76Å; F201-L229 HydrophobicContact CG-CD2 3.82Å; I208-L229 HydrophobicContact CG1-CD1 4.48Å; I208-L229 HydrophobicContact CG1-CD2 4.05Å; I208-L229 HydrophobicContact CG2-CD1 4.45Å; I227-L229 HydrophobicContact CG2-CD2 4.26Å
230H97.4Very high96.6Very high16 Ų1670 Ų707%0.07434%0.343CS..  trans-90.4-21.6-171-64.6-68.8000113.5H200 F201 V202 F228 N233 S236 L237H200-H230 AromaticContact CG-NE2 3.65Å; H200-H230 AromaticContact ND1-CE1 3.77Å; H200-H230 AromaticContact ND1-NE2 2.93Å; H200-H230 PolarHBondContact ND1-NE2 3.45Å; F201-H230 WeakPolarHBondContact O-CB 3.48Å; F201-H230 PolarHBondContact O-CD2 3.32Å; F201-H230 PolarHBondContact O-N 3.17Å; V202-H230 HydrophobicContact CG1-CB 4.09Å; F228-H230 WeakPolarHBondContact CB-NE2 3.4Å; H230-N233 PolarHBondContact O-N 3.3Å; H230-S236 WeakPolarHBondContact CB-OG 3.39Å; H230-S236 PolarHBondContact CE1-O 3.23Å; H230-S236 VanDerWaalsContact CE1-O 3.28Å; H230-S236 VanDerWaalsContact ND1-C 3.32Å; H230-S236 PolarHBondContact ND1-O 2.93Å; H230-S236 PolarHBondContact ND1-OG 2.97Å; H230-L237 PolarHBondContact ND1-N 3.15Å
231G95.4Very high96.7Very high19 Ų1966.3 Ų66.320%0.19633%0.327CS..THydrogen-bonded Turntrans64.5-140.3-17300000108.7N203 Q204 N233N203-G231 PolarHBondContact N-O 3.19Å; Q204-G231 VanDerWaalsContact CD-N 3.27Å; Q204-G231 VanDerWaalsContact NE2-CA 3.31Å; Q204-G231 VanDerWaalsContact OE1-CA 3.27Å; G231-N233 VanDerWaalsContact C-N 3.28Å
232N93.6Very high96.8Very high133 Ų13366.2 Ų66.271%0.71132%0.323SS*.THydrogen-bonded Turntrans-908177.1-56.9-15.6000112.6
233N93.6Very high96.9Very high80 Ų8062.7 Ų62.743%0.42831%0.311SS..  trans-98.888.5-176.3-178.515.9000111.4H230 G231 N235 S236H230-N233 PolarHBondContact O-N 3.3Å; G231-N233 VanDerWaalsContact C-N 3.28Å; N233-N235 PolarHBondContact O-N 2.94Å; N233-N235 VanDerWaalsContact OD1-CB 3.3Å; N233-N235 WeakPolarHBondContact OD1-CB 3.41Å; N233-N235 PolarHBondContact OD1-N 3.41Å; N233-N235 PolarHBondContact OD1-ND2 3.02Å; N233-S236 PolarHBondContact O-N 3.46Å; N233-S236 VanDerWaalsContact O-N 3.11Å; N233-S236 PolarHBondContact O-OG 3.26Å
234L95.4Very high97Very high41 Ų4166.5 Ų66.522%0.21533%0.327CS..Hα-helixtrans-62.3-23177.5-64.8177.5000113.5V202 S236 L237 H238V202-L234 HydrophobicContact CB-CD2 4.35Å; V202-L234 HydrophobicContact CG1-CD2 4.14Å; L234-S236 PolarHBondContact O-N 2.76Å; L234-L237 HydrophobicContact CD2-CD2 4.33Å; L234-L237 WeakPolarHBondContact O-CA 3.46Å; L234-L237 VanDerWaalsContact O-CB 3.26Å; L234-L237 WeakPolarHBondContact O-CB 3.31Å; L234-L237 PolarHBondContact O-N 3.14Å; L234-H238 VanDerWaalsContact O-CG 3.27Å; L234-H238 PolarHBondContact O-N 2.99Å
235N96.9Very high97Very high109 Ų10963.5 Ų63.558%0.58332%0.318SS*.Hα-helixtrans-59.9-32.7174.8-61.3-48.5000111.9N233 L237 H238 Q239N233-N235 PolarHBondContact O-N 2.94Å; N233-N235 VanDerWaalsContact OD1-CB 3.3Å; N233-N235 WeakPolarHBondContact OD1-CB 3.41Å; N233-N235 PolarHBondContact OD1-N 3.41Å; N233-N235 PolarHBondContact OD1-ND2 3.02Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-H238 PolarHBondContact O-N 3.16Å; N235-Q239 WeakPolarHBondContact O-CG 3.37Å; N235-Q239 PolarHBondContact O-N 3.27Å
236S97.8Very high97.1Very high27 Ų2755.6 Ų55.619%0.18928%0.283CS..Hα-helixtrans-71.2-26.717671.20000112.8H230 N233 L234H230-S236 WeakPolarHBondContact CB-OG 3.39Å; H230-S236 PolarHBondContact CE1-O 3.23Å; H230-S236 VanDerWaalsContact CE1-O 3.28Å; H230-S236 VanDerWaalsContact ND1-C 3.32Å; H230-S236 PolarHBondContact ND1-O 2.93Å; H230-S236 PolarHBondContact ND1-OG 2.97Å; N233-S236 PolarHBondContact O-N 3.46Å; N233-S236 VanDerWaalsContact O-N 3.11Å; N233-S236 PolarHBondContact O-OG 3.26Å; L234-S236 PolarHBondContact O-N 2.76Å
237L98.1Very high97.1Very high0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-70.9-45.4168.4179.870.7000109.6H200 V202 H230 L234 N235 Q239 L240 I241 L246 F250H200-L237 HydrophobicContact CB-CD1 3.71Å; V202-L237 HydrophobicContact CG1-CD1 4.5Å; V202-L237 HydrophobicContact CG1-CD2 4.06Å; H230-L237 PolarHBondContact ND1-N 3.15Å; L234-L237 HydrophobicContact CD2-CD2 4.33Å; L234-L237 WeakPolarHBondContact O-CA 3.46Å; L234-L237 VanDerWaalsContact O-CB 3.26Å; L234-L237 WeakPolarHBondContact O-CB 3.31Å; L234-L237 PolarHBondContact O-N 3.14Å; N235-L237 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 2.87Å; L237-L240 CarbonylContact O-C 3.58Å; L237-L240 WeakPolarHBondContact O-CA 3.31Å; L237-L240 PolarHBondContact O-N 3.32Å; L237-I241 HydrophobicContact CD1-CD1 3.84Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 PolarHBondContact O-N 2.89Å; L237-L246 HydrophobicContact CD2-CD1 3.94Å; L237-L246 HydrophobicContact CG-CD1 4.37Å; L237-F250 HydrophobicContact CD2-CB 4.02Å; L237-F250 HydrophobicContact CD2-CD1 4.45Å
238H98.3Very high97.1Very high43 Ų4353.9 Ų53.920%0.19929%0.285CS..Hα-helixtrans-64.3-24.3-177.5-60.2162000114.2L234 N235 L240 I241 P243 F250 G251L234-H238 VanDerWaalsContact O-CG 3.27Å; L234-H238 PolarHBondContact O-N 2.99Å; N235-H238 PolarHBondContact O-N 3.16Å; H238-L240 PolarHBondContact O-N 3.27Å; H238-I241 CarbonylContact C-O 3.52Å; H238-I241 WeakPolarHBondContact CA-O 3.46Å; H238-P243 HydrophobicContact CB-CG 4.08Å; H238-F250 PolarHBondContact NE2-O 3.3Å; H238-G251 PolarHBondContact CE1-O 2.94Å
239Q97.4Very high97Very high160 Ų16053.6 Ų53.675%0.74828%0.284SS*.THydrogen-bonded Turntrans-66.1-21.5169.8-75173.35.800113.4N235 L237N235-Q239 WeakPolarHBondContact O-CG 3.37Å; N235-Q239 PolarHBondContact O-N 3.27Å; L237-Q239 PolarHBondContact O-N 2.87Å
240L97.8Very high97Very high63 Ų6350.5 Ų50.533%0.3327%0.268SS..THydrogen-bonded Turntrans-113-23.9-176.6-59179.7000113.1Q114 F228 L237 H238Q114-L240 PolarHBondContact NE2-O 3.48Å; F228-L240 HydrophobicContact CB-CD1 4.38Å; F228-L240 HydrophobicContact CD1-CD1 3.65Å; F228-L240 HydrophobicContact CD2-CD1 4.09Å; F228-L240 HydrophobicContact CE1-CD1 3.86Å; F228-L240 HydrophobicContact CE2-CD1 4.28Å; F228-L240 HydrophobicContact CG-CD1 3.77Å; F228-L240 HydrophobicContact CZ-CD1 4.18Å; L237-L240 CarbonylContact O-C 3.58Å; L237-L240 WeakPolarHBondContact O-CA 3.31Å; L237-L240 PolarHBondContact O-N 3.32Å; H238-L240 PolarHBondContact O-N 3.27Å
241I98.1Very high96.9Very high0 Ų051.6 Ų51.60%028%0.283CS..SBendtrans-136.8123.9178.5-51.7176.8000108.5D113 I119 T160 I162 L237 H238 C245 L246D113-I241 HydrophobicContact CB-CG2 4.1Å; I119-I241 HydrophobicContact CD1-CG2 4.35Å; T160-I241 HydrophobicContact CG2-CD1 3.58Å; T160-I241 HydrophobicContact CG2-CG1 4.44Å; I162-I241 HydrophobicContact CD1-CD1 3.75Å; I162-I241 HydrophobicContact CG1-CD1 4.08Å; L237-I241 HydrophobicContact CD1-CD1 3.84Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 PolarHBondContact O-N 2.89Å; H238-I241 CarbonylContact C-O 3.52Å; H238-I241 WeakPolarHBondContact CA-O 3.46Å; I241-C245 HydrophobicContact CG2-CB 4.38Å; I241-L246 HydrophobicContact CB-CD1 4.24Å; I241-L246 HydrophobicContact CG2-CD1 4.01Å; I241-L246 HydrophobicContact CG2-CD2 3.88Å; I241-L246 HydrophobicContact CG2-CG 3.89Å
242Q98Very high97Very high96 Ų9651.4 Ų51.445%0.44928%0.282SS..  trans-62.4134.8-178.5-75.6179.84.300111.9Q114 E244 C245Q114-Q242 HydrophobicContact CB-CB 4.48Å; Q114-Q242 VanDerWaalsContact CB-CD 3.47Å; Q114-Q242 HydrophobicContact CB-CG 3.99Å; Q114-Q242 HydrophobicContact CG-CG 4.09Å; Q242-E244 WeakPolarHBondContact CB-OE2 3.11Å; Q242-E244 PolarHBondContact O-N 3.13Å; Q242-E244 VanDerWaalsContact O-N 3.13Å; Q242-C245 WeakPolarHBondContact O-CB 2.94Å; Q242-C245 PolarHBondContact O-N 3.07Å
243P97.6Very high97.2Very high33 Ų3349.7 Ų49.721%0.21428%0.276CS..G310 helixtrans-54.7-29178.3-27.235.2000114.1H238 C245 L246 G252 T253H238-P243 HydrophobicContact CB-CG 4.08Å; P243-C245 PolarHBondContact O-N 3.47Å; P243-L246 PolarHBondContact O-N 3.21Å; P243-L246 VanDerWaalsContact O-N 3.1Å; P243-G252 CarbonylContact O-C 3.39Å; P243-G252 WeakPolarHBondContact O-CA 3.27Å; P243-T253 PolarHBondContact O-N 2.92Å
244E97.8Very high97.3Very high108 Ų10848.5 Ų48.551%0.50527%0.269SS..G310 helixtrans-64.5-22.3178.9-62.472.8-160.100112.9Q242 T253Q242-E244 WeakPolarHBondContact CB-OE2 3.11Å; Q242-E244 PolarHBondContact O-N 3.13Å; Q242-E244 VanDerWaalsContact O-N 3.13Å; E244-T253 WeakPolarHBondContact CA-OG1 3.32Å
245C97.3Very high97.4Very high14 Ų1451.2 Ų51.210%0.09529%0.29CS..G310 helixtrans-90.6-2.8178-58.80000113.1L109 P112 I119 I241 Q242 P243 L254L109-C245 VanDerWaalsContact CD1-O 3.25Å; L109-C245 WeakPolarHBondContact CD1-O 3.02Å; P112-C245 PolarHBondContact O-SG 3.2Å; I119-C245 HydrophobicContact CD1-CB 4.09Å; I241-C245 HydrophobicContact CG2-CB 4.38Å; Q242-C245 WeakPolarHBondContact O-CB 2.94Å; Q242-C245 PolarHBondContact O-N 3.07Å; P243-C245 PolarHBondContact O-N 3.47Å; C245-L254 WeakPolarHBondContact O-CD1 3.48Å
246L98.3Very high97.3Very high0 Ų050.2 Ų50.20%029%0.289CS..SBendtrans-117.9146.3-167.8-67.2174.8000112.2I119 I162 L237 I241 P243 F250 G252 T253 L254I119-L246 HydrophobicContact CD1-CD2 4.4Å; I162-L246 HydrophobicContact CD1-CD2 3.46Å; I162-L246 VanDerWaalsContact CD1-CD2 3.46Å; L237-L246 HydrophobicContact CD2-CD1 3.94Å; L237-L246 HydrophobicContact CG-CD1 4.37Å; I241-L246 HydrophobicContact CB-CD1 4.24Å; I241-L246 HydrophobicContact CG2-CD1 4.01Å; I241-L246 HydrophobicContact CG2-CD2 3.88Å; I241-L246 HydrophobicContact CG2-CG 3.89Å; P243-L246 PolarHBondContact O-N 3.21Å; P243-L246 VanDerWaalsContact O-N 3.1Å; L246-F250 HydrophobicContact CB-CB 4.29Å; L246-F250 HydrophobicContact CD1-CB 4.24Å; L246-G252 CarbonylContact O-C 3.52Å; L246-G252 VanDerWaalsContact O-CA 3.25Å; L246-G252 WeakPolarHBondContact O-CA 3.37Å; L246-T253 PolarHBondContact O-N 3.35Å; L246-L254 VanDerWaalsContact O-CB 3.26Å; L246-L254 WeakPolarHBondContact O-CB 3.43Å; L246-L254 WeakPolarHBondContact O-CG 3.34Å; L246-L254 PolarHBondContact O-N 2.9Å
247P97.6Very high97.3Very high2 Ų249.7 Ų49.71%0.01328%0.283CS..BIsolated β-bridgetrans-75.2165.9170.736-38.5000111.6L109 I121 E249 F250 G252 L254 P255L109-P247 HydrophobicContact CD2-CG 4.36Å; I121-P247 HydrophobicContact CD1-CG 4.18Å; P247-E249 WeakPolarHBondContact CB-OE2 3.46Å; P247-E249 PolarHBondContact O-N 2.57Å; P247-E249 VanDerWaalsContact O-N 3.14Å; P247-F250 HydrophobicContact CG-CD2 3.66Å; P247-F250 HydrophobicContact CG-CE2 4.02Å; P247-F250 PolarHBondContact O-N 3.35Å; P247-G252 PolarHBondContact O-N 3.26Å; P247-L254 HydrophobicContact CB-CB 4.48Å; P247-P255 WeakPolarHBondContact CB-O 3.44Å
248S96.9Very high97.1Very high57 Ų5753.2 Ų53.240%0.39930%0.302SS..G310 helixtrans-57.1-29.2-172.964.40000114.7F250 G251 L254 P256S248-F250 PolarHBondContact O-N 2.88Å; S248-G251 PolarHBondContact O-N 3.44Å; S248-L254 PolarHBondContact N-O 3.47Å; S248-L254 VanDerWaalsContact N-O 3.16Å; S248-P256 WeakPolarHBondContact OG-CG 3.49Å
249E96.2Very high96.8Very high60 Ų6053.5 Ų53.528%0.2830%0.304SS..G310 helixtrans-60.7-29177.3-64.287.7154.700111.9F123 P247 P256 Y257F123-E249 HydrophobicContact CE1-CB 4.07Å; F123-E249 HydrophobicContact CE1-CG 4.12Å; F123-E249 HydrophobicContact CZ-CB 4.34Å; F123-E249 HydrophobicContact CZ-CG 4.28Å; P247-E249 WeakPolarHBondContact CB-OE2 3.46Å; P247-E249 PolarHBondContact O-N 2.57Å; P247-E249 VanDerWaalsContact O-N 3.14Å; E249-P256 WeakPolarHBondContact OE1-CA 3.47Å; E249-P256 WeakPolarHBondContact OE2-CA 3.41Å; E249-Y257 PolarHBondContact OE1-N 3.02Å; E249-Y257 PolarHBondContact OE2-N 2.81Å
250F97.4Very high96.5Very high0 Ų046.2 Ų46.20%027%0.271CS..G310 helixtrans-103.719.9175.9-54.2-68.9000112.2I121 F123 I162 D164 V202 L237 H238 L246 P247 S248 G252I121-F250 HydrophobicContact CD1-CE2 3.88Å; I121-F250 HydrophobicContact CG1-CE2 4.24Å; I121-F250 HydrophobicContact CG2-CE2 3.69Å; I121-F250 HydrophobicContact CG2-CZ 3.56Å; F123-F250 HydrophobicContact CE1-CE2 4.13Å; F123-F250 AromaticContact CE1-CZ 3.74Å; F123-F250 HydrophobicContact CE1-CZ 3.74Å; F123-F250 AromaticContact CZ-CE2 3.81Å; F123-F250 HydrophobicContact CZ-CE2 3.81Å; F123-F250 AromaticContact CZ-CZ 3.83Å; F123-F250 HydrophobicContact CZ-CZ 3.83Å; I162-F250 HydrophobicContact CG2-CD1 3.91Å; I162-F250 HydrophobicContact CG2-CE1 3.55Å; I162-F250 HydrophobicContact CG2-CE2 4.47Å; I162-F250 HydrophobicContact CG2-CZ 3.89Å; D164-F250 HydrophobicContact CB-CE1 3.88Å; D164-F250 HydrophobicContact CB-CZ 4.13Å; V202-F250 HydrophobicContact CG2-CD1 3.89Å; V202-F250 HydrophobicContact CG2-CE1 3.65Å; L237-F250 HydrophobicContact CD2-CB 4.02Å; L237-F250 HydrophobicContact CD2-CD1 4.45Å; H238-F250 PolarHBondContact NE2-O 3.3Å; L246-F250 HydrophobicContact CB-CB 4.29Å; L246-F250 HydrophobicContact CD1-CB 4.24Å; P247-F250 HydrophobicContact CG-CD2 3.66Å; P247-F250 HydrophobicContact CG-CE2 4.02Å; P247-F250 PolarHBondContact O-N 3.35Å; S248-F250 PolarHBondContact O-N 2.88Å; F250-G252 VanDerWaalsContact C-N 3.26Å; F250-G252 PolarHBondContact O-N 3.03Å
251G96.3Very high96.3Very high38 Ų3845.8 Ų45.839%0.39227%0.269SS..THydrogen-bonded Turntrans67.625.4179.500000113.7H238 S248H238-G251 PolarHBondContact CE1-O 2.94Å; S248-G251 PolarHBondContact O-N 3.44Å
252G97.2Very high96.2Very high16 Ų1646.7 Ų46.717%0.16527%0.272CS..  trans-92.2-174.7176.700000114P243 L246 P247 F250P243-G252 CarbonylContact O-C 3.39Å; P243-G252 WeakPolarHBondContact O-CA 3.27Å; L246-G252 CarbonylContact O-C 3.52Å; L246-G252 VanDerWaalsContact O-CA 3.25Å; L246-G252 WeakPolarHBondContact O-CA 3.37Å; P247-G252 PolarHBondContact O-N 3.26Å; F250-G252 VanDerWaalsContact C-N 3.26Å; F250-G252 PolarHBondContact O-N 3.03Å
253T97.1Very high96.1Very high97 Ų9742.1 Ų42.160%0.59525%0.25SS*.SBendtrans-102-6.9-176.868.30000114.1P243 E244 L246P243-T253 PolarHBondContact O-N 2.92Å; E244-T253 WeakPolarHBondContact CA-OG1 3.32Å; L246-T253 PolarHBondContact O-N 3.35Å
254L96.8Very high95.8Very high54 Ų5444.4 Ų44.428%0.28326%0.255SS..BIsolated β-bridgetrans-74.9155.6173.6-56.6177.8000110.1A111 C245 L246 P247 S248A111-L254 HydrophobicContact CB-CD1 4.36Å; C245-L254 WeakPolarHBondContact O-CD1 3.48Å; L246-L254 VanDerWaalsContact O-CB 3.26Å; L246-L254 WeakPolarHBondContact O-CB 3.43Å; L246-L254 WeakPolarHBondContact O-CG 3.34Å; L246-L254 PolarHBondContact O-N 2.9Å; P247-L254 HydrophobicContact CB-CB 4.48Å; S248-L254 PolarHBondContact N-O 3.47Å; S248-L254 VanDerWaalsContact N-O 3.16Å
255P96.3Very high95.7Very high99 Ų9943.3 Ų43.364%0.64326%0.256SS*.PPolyproline II helixtrans-58.5164.317425.7-35.8000112P247 Y257P247-P255 WeakPolarHBondContact CB-O 3.44Å; P255-Y257 PolarHBondContact O-N 2.84Å
256P96.4Very high95.5Very high88 Ų8844.2 Ų44.257%0.57126%0.26SS*.PPolyproline II helixtrans-49.3141.4170.4-24.532.3000111.6S248 E249 D258S248-P256 WeakPolarHBondContact OG-CG 3.49Å; E249-P256 WeakPolarHBondContact OE1-CA 3.47Å; E249-P256 WeakPolarHBondContact OE2-CA 3.41Å; P256-D258 PolarHBondContact O-N 3.38Å
257Y96Very high95.1Very high16 Ų1646 Ų466%0.06327%0.269CS..PPolyproline II helixtrans-74.2125.5-176.9-176.7-102.6000110.8G107 V108 L109 F123 E249 P255 M259G107-Y257 WeakPolarHBondContact CA-OH 3.34Å; V108-Y257 PolarHBondContact N-OH 2.74Å; L109-Y257 HydrophobicContact CD2-CD2 3.46Å; L109-Y257 VanDerWaalsContact CD2-CD2 3.46Å; L109-Y257 HydrophobicContact CD2-CE2 3.81Å; L109-Y257 HydrophobicContact CD2-CG 4.4Å; F123-Y257 HydrophobicContact CE2-CD1 4.04Å; E249-Y257 PolarHBondContact OE1-N 3.02Å; E249-Y257 PolarHBondContact OE2-N 2.81Å; P255-Y257 PolarHBondContact O-N 2.84Å; Y257-M259 HydrophobicContact CD1-CE 4.3Å; Y257-M259 HydrophobicContact CD1-SD 3.85Å; Y257-M259 HydrophobicContact CE1-SD 4.26Å; Y257-M259 PolarHBondContact O-N 3.15Å
258D94.6Very high94.6Very high73 Ų7347 Ų4739%0.3928%0.28SS..  trans-80.8109.9171.5178.8-17.5000109.7P256 G260 M261 R264P256-D258 PolarHBondContact O-N 3.38Å; D258-G260 PolarHBondContact O-N 3.28Å; D258-G260 VanDerWaalsContact O-N 3.16Å; D258-G260 PolarHBondContact OD1-N 3.18Å; D258-M261 HydrophobicContact CB-CB 4.13Å; D258-M261 HydrophobicContact CB-CE 4.32Å; D258-M261 WeakPolarHBondContact O-CB 3.39Å; D258-M261 PolarHBondContact O-N 2.76Å; D258-M261 PolarHBondContact OD1-N 3.39Å; D258-R264 IonicContact OD1-CZ 2.64Å; D258-R264 IonicContact OD1-NH1 3.42Å; D258-R264 IonicContact OD1-NH2 3.86Å; D258-R264 PolarHBondContact OD1-NH2 3.5Å; D258-R264 IonicContact OD2-CZ 3.92Å; D258-R264 IonicContact OD2-NH1 3.08Å; D258-R264 IonicContact OD2-NH2 3.87Å; D258-R264 PolarHBondContact OD2-NH2 2.99Å
259M91.9Very high93.5Very high49 Ų4950.5 Ų50.524%0.24130%0.301CS..THydrogen-bonded Turntrans-56.5-33.7-175.5-58.8-61157.600113.3F123 Y257F123-M259 HydrophobicContact CD1-CE 4.43Å; F123-M259 HydrophobicContact CD2-CE 3.42Å; F123-M259 VanDerWaalsContact CD2-CE 3.42Å; F123-M259 HydrophobicContact CD2-SD 3.48Å; F123-M259 WeakPolarHBondContact CD2-SD 3.25Å; F123-M259 HydrophobicContact CE1-CE 4.4Å; F123-M259 HydrophobicContact CE2-CE 3.38Å; F123-M259 HydrophobicContact CE2-SD 3.75Å; F123-M259 HydrophobicContact CG-CE 3.96Å; F123-M259 HydrophobicContact CG-SD 4.34Å; F123-M259 HydrophobicContact CZ-CE 3.89Å; Y257-M259 HydrophobicContact CD1-CE 4.3Å; Y257-M259 HydrophobicContact CD1-SD 3.85Å; Y257-M259 HydrophobicContact CE1-SD 4.26Å; Y257-M259 PolarHBondContact O-N 3.15Å
260G91.2Very high92.2Very high7 Ų755.2 Ų55.27%0.07233%0.328CS..THydrogen-bonded Turntrans-85.8-6.5-179.100000114.1D258 W262 A263 R264D258-G260 PolarHBondContact O-N 3.28Å; D258-G260 VanDerWaalsContact O-N 3.16Å; D258-G260 PolarHBondContact OD1-N 3.18Å; G260-W262 PolarHBondContact O-N 3.48Å; G260-A263 PolarHBondContact O-N 3.3Å; G260-R264 WeakPolarHBondContact O-CG 3.44Å; G260-R264 PolarHBondContact O-N 3.05Å
261M93.6Very high91.1Very high55 Ų5557.1 Ų57.127%0.27134%0.336SS..Hα-helixtrans-53.9-52.8-176177.5176-73.600111.8E110 D258 A263 R264 T265E110-M261 HydrophobicContact CG-SD 4.14Å; D258-M261 HydrophobicContact CB-CB 4.13Å; D258-M261 HydrophobicContact CB-CE 4.32Å; D258-M261 WeakPolarHBondContact O-CB 3.39Å; D258-M261 PolarHBondContact O-N 2.76Å; D258-M261 PolarHBondContact OD1-N 3.39Å; M261-A263 PolarHBondContact O-N 3.4Å; M261-R264 PolarHBondContact O-N 3.08Å; M261-T265 PolarHBondContact O-N 3.29Å; M261-T265 PolarHBondContact O-OG1 3.04Å; M261-T265 VanDerWaalsContact O-OG1 3.05Å
262W96.1Very high89.7Confident18 Ų1859 Ų597%0.06834%0.336CS..Hα-helixtrans-65-39.8-177.4179.2-124.8000113V108 S144 V147 L148 G260 R264 T265 L266V108-W262 HydrophobicContact CB-CB 4.17Å; V108-W262 HydrophobicContact CB-CD2 3.65Å; V108-W262 HydrophobicContact CB-CE3 3.83Å; V108-W262 HydrophobicContact CB-CG 3.79Å; V108-W262 HydrophobicContact CB-CZ3 4.48Å; V108-W262 HydrophobicContact CG1-CD2 4.33Å; V108-W262 HydrophobicContact CG1-CE3 4.13Å; V108-W262 HydrophobicContact CG1-CZ3 4.32Å; V108-W262 HydrophobicContact CG2-CB 4.33Å; V108-W262 HydrophobicContact CG2-CD2 3.52Å; V108-W262 HydrophobicContact CG2-CE3 4.16Å; V108-W262 HydrophobicContact CG2-CG 3.57Å; V108-W262 HydrophobicContact CG2-CZ2 4.18Å; S144-W262 PolarHBondContact OG-NE1 3.25Å; V147-W262 HydrophobicContact CG1-CH2 4.38Å; L148-W262 HydrophobicContact CD1-CZ2 4.38Å; L148-W262 HydrophobicContact CD2-CH2 3.69Å; L148-W262 HydrophobicContact CD2-CZ2 4.25Å; L148-W262 HydrophobicContact CD2-CZ3 4.31Å; L148-W262 HydrophobicContact CG-CH2 3.99Å; L148-W262 HydrophobicContact CG-CZ2 4.07Å; G260-W262 PolarHBondContact O-N 3.48Å; W262-R264 VanDerWaalsContact C-N 3.35Å; W262-R264 PolarHBondContact O-N 2.88Å; W262-T265 HydrophobicContact CE3-CG2 4.08Å; W262-T265 HydrophobicContact CZ3-CG2 3.85Å; W262-T265 WeakPolarHBondContact O-CB 3.38Å; W262-T265 PolarHBondContact O-N 2.64Å; W262-L266 HydrophobicContact CD2-CD1 4.31Å; W262-L266 HydrophobicContact CD2-CG 4.14Å; W262-L266 HydrophobicContact CH2-CD2 3.7Å; W262-L266 HydrophobicContact CH2-CG 4.14Å; W262-L266 HydrophobicContact CZ2-CD1 3.81Å; W262-L266 HydrophobicContact CZ2-CD2 3.53Å; W262-L266 HydrophobicContact CZ2-CG 3.73Å; W262-L266 HydrophobicContact CZ3-CD2 4.37Å; W262-L266 PolarHBondContact O-N 3.26Å
263A95.1Very high88.2Confident0 Ų062.1 Ų62.10%035%0.349CS..Hα-helixtrans-59.2-46.2175.900000111.4L101 M102 G260 M261 T265 L266 L267L101-A263 HydrophobicContact CB-CB 3.76Å; M102-A263 HydrophobicContact CG-CB 4.02Å; M102-A263 HydrophobicContact SD-CB 3.37Å; M102-A263 WeakPolarHBondContact SD-CB 3.24Å; G260-A263 PolarHBondContact O-N 3.3Å; M261-A263 PolarHBondContact O-N 3.4Å; A263-T265 VanDerWaalsContact C-N 3.35Å; A263-T265 PolarHBondContact O-N 3.27Å; A263-L266 PolarHBondContact O-N 2.96Å; A263-L267 WeakPolarHBondContact O-CB 3.24Å; A263-L267 WeakPolarHBondContact O-CD1 3.24Å; A263-L267 VanDerWaalsContact O-CG 3.27Å; A263-L267 WeakPolarHBondContact O-CG 3.36Å; A263-L267 PolarHBondContact O-N 2.68Å
264R93Very high86.4Confident82 Ų8264.2 Ų64.231%0.30935%0.353SS..Hα-helixtrans-65.4-36.4176.8-66.5-172.7-59.9-91.9-2.2112.4D258 G260 M261 W262 L266 L267 G268 Y271D258-R264 IonicContact OD1-CZ 2.64Å; D258-R264 IonicContact OD1-NH1 3.42Å; D258-R264 IonicContact OD1-NH2 3.86Å; D258-R264 PolarHBondContact OD1-NH2 3.5Å; D258-R264 IonicContact OD2-CZ 3.92Å; D258-R264 IonicContact OD2-NH1 3.08Å; D258-R264 IonicContact OD2-NH2 3.87Å; D258-R264 PolarHBondContact OD2-NH2 2.99Å; G260-R264 WeakPolarHBondContact O-CG 3.44Å; G260-R264 PolarHBondContact O-N 3.05Å; M261-R264 PolarHBondContact O-N 3.08Å; W262-R264 VanDerWaalsContact C-N 3.35Å; W262-R264 PolarHBondContact O-N 2.88Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 2.78Å; R264-L267 PolarHBondContact O-N 2.86Å; R264-G268 PolarHBondContact O-N 2.89Å; R264-Y271 HydrophobicContact CG-CD1 4.02Å; R264-Y271 HydrophobicContact CG-CE1 4.18Å
265T93.9Very high84.5Confident85 Ų8565.1 Ų65.152%0.52136%0.36SS..Hα-helixtrans-58.4-43.2172-55.40000111.7M261 W262 A263M261-T265 PolarHBondContact O-N 3.29Å; M261-T265 PolarHBondContact O-OG1 3.04Å; M261-T265 VanDerWaalsContact O-OG1 3.05Å; W262-T265 HydrophobicContact CE3-CG2 4.08Å; W262-T265 HydrophobicContact CZ3-CG2 3.85Å; W262-T265 WeakPolarHBondContact O-CB 3.38Å; W262-T265 PolarHBondContact O-N 2.64Å; A263-T265 VanDerWaalsContact C-N 3.35Å; A263-T265 PolarHBondContact O-N 3.27Å
266L93.8Very high82.6Confident33 Ų3363.8 Ų63.817%0.17335%0.346CS..Hα-helixtrans-75.9-36.9-179.4-69.5180000113.7V92 L101 L143 V147 W262 A263 R264 G268V92-L266 HydrophobicContact CB-CB 4.48Å; V92-L266 HydrophobicContact CG2-CB 3.55Å; V92-L266 HydrophobicContact CG2-CD1 4.3Å; L101-L266 HydrophobicContact CD1-CD1 3.83Å; L101-L266 HydrophobicContact CD2-CD1 4.14Å; L143-L266 HydrophobicContact CD2-CD1 4.15Å; V147-L266 HydrophobicContact CB-CD2 4.08Å; V147-L266 HydrophobicContact CG1-CD2 3.71Å; V147-L266 HydrophobicContact CG2-CD2 3.94Å; W262-L266 HydrophobicContact CD2-CD1 4.31Å; W262-L266 HydrophobicContact CD2-CG 4.14Å; W262-L266 HydrophobicContact CH2-CD2 3.7Å; W262-L266 HydrophobicContact CH2-CG 4.14Å; W262-L266 HydrophobicContact CZ2-CD1 3.81Å; W262-L266 HydrophobicContact CZ2-CD2 3.53Å; W262-L266 HydrophobicContact CZ2-CG 3.73Å; W262-L266 HydrophobicContact CZ3-CD2 4.37Å; W262-L266 PolarHBondContact O-N 3.26Å; A263-L266 PolarHBondContact O-N 2.96Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 2.78Å; L266-G268 VanDerWaalsContact C-N 3.28Å
267L89.9Confident80.6Confident37 Ų3767.4 Ų67.419%0.19435%0.349CS..Hα-helixtrans-75.7-18.8179.9-69162.7000112.6V92 K98 M102 A263 R264 Y271V92-L267 HydrophobicContact CG1-CD2 4.13Å; V92-L267 HydrophobicContact CG2-CD2 3.77Å; V92-L267 HydrophobicContact CG2-CG 3.91Å; K98-L267 HydrophobicContact CD-CD1 4.41Å; K98-L267 HydrophobicContact CD-CD2 4.26Å; K98-L267 HydrophobicContact CG-CD1 4.2Å; K98-L267 HydrophobicContact CG-CD2 4.43Å; M102-L267 HydrophobicContact CE-CD1 4.41Å; A263-L267 WeakPolarHBondContact O-CB 3.24Å; A263-L267 WeakPolarHBondContact O-CD1 3.24Å; A263-L267 VanDerWaalsContact O-CG 3.27Å; A263-L267 WeakPolarHBondContact O-CG 3.36Å; A263-L267 PolarHBondContact O-N 2.68Å; R264-L267 PolarHBondContact O-N 2.86Å; L267-Y271 HydrophobicContact CB-CD1 4.27Å; L267-Y271 HydrophobicContact CB-CD2 4.16Å; L267-Y271 HydrophobicContact CB-CG 3.71Å; L267-Y271 HydrophobicContact CD1-CD1 3.88Å; L267-Y271 HydrophobicContact CD1-CD2 3.75Å; L267-Y271 HydrophobicContact CD1-CE1 4.04Å; L267-Y271 HydrophobicContact CD1-CE2 3.9Å; L267-Y271 HydrophobicContact CD1-CG 3.75Å; L267-Y271 HydrophobicContact CG-CD2 4.38Å; L267-Y271 HydrophobicContact CG-CG 4.29Å
268G86.3Confident78.5Confident24 Ų2470.1 Ų70.125%0.24737%0.368CS..  trans85176.4176.600000113.9R264 L266 D270 Y271R264-G268 PolarHBondContact O-N 2.89Å; L266-G268 VanDerWaalsContact C-N 3.28Å; G268-D270 VanDerWaalsContact C-N 3.27Å; G268-D270 PolarHBondContact O-N 2.71Å; G268-Y271 WeakPolarHBondContact O-CB 2.88Å; G268-Y271 PolarHBondContact O-N 3.08Å
269P73.7Confident76.7Confident129 Ų12972 Ų7284%0.83838%0.377SS*.THydrogen-bonded Turntrans-69.1-21-171.428-35.4000114.3Y271P269-Y271 PolarHBondContact O-N 2.83Å
270D70.8Confident74.9Confident160 Ų16072.9 Ų72.986%0.85639%0.385SS*.THydrogen-bonded Turntrans-77.7-8.8179.1-61.7-35.5000112.6G268G268-D270 VanDerWaalsContact C-N 3.27Å; G268-D270 PolarHBondContact O-N 2.71Å
271Y73.8Confident73.1Confident39 Ų3978.5 Ų78.515%0.15341%0.405CS..  trans-82.5120.3177178.9-92.2000111.2K98 M102 R264 L267 G268 P269 D273 E276K98-Y271 VanDerWaalsContact CE-CE2 3.49Å; K98-Y271 VanDerWaalsContact NZ-CE2 3.31Å; M102-Y271 HydrophobicContact CE-CD1 4.35Å; M102-Y271 HydrophobicContact CE-CE1 3.21Å; M102-Y271 HydrophobicContact CE-CE2 4.43Å; M102-Y271 WeakPolarHBondContact CE-OH 3.19Å; R264-Y271 HydrophobicContact CG-CD1 4.02Å; R264-Y271 HydrophobicContact CG-CE1 4.18Å; L267-Y271 HydrophobicContact CB-CD1 4.27Å; L267-Y271 HydrophobicContact CB-CD2 4.16Å; L267-Y271 HydrophobicContact CB-CG 3.71Å; L267-Y271 HydrophobicContact CD1-CD1 3.88Å; L267-Y271 HydrophobicContact CD1-CD2 3.75Å; L267-Y271 HydrophobicContact CD1-CE1 4.04Å; L267-Y271 HydrophobicContact CD1-CE2 3.9Å; L267-Y271 HydrophobicContact CD1-CG 3.75Å; L267-Y271 HydrophobicContact CG-CD2 4.38Å; L267-Y271 HydrophobicContact CG-CG 4.29Å; G268-Y271 WeakPolarHBondContact O-CB 2.88Å; G268-Y271 PolarHBondContact O-N 3.08Å; P269-Y271 PolarHBondContact O-N 2.83Å; Y271-D273 VanDerWaalsContact CE1-OD1 3.24Å; Y271-D273 WeakPolarHBondContact CE1-OD1 3.24Å; Y271-D273 VanDerWaalsContact CZ-OD1 3.32Å; Y271-D273 PolarHBondContact OH-OD1 3.09Å; Y271-E276 WeakPolarHBondContact CE2-OE2 3.41Å; Y271-E276 PolarHBondContact OH-OE2 3.03Å; Y271-E276 VanDerWaalsContact OH-OE2 3.09Å
272N67.4Low71.1Confident77 Ų7779.8 Ų79.841%0.41241%0.413SS..  trans-129.8131.9171.4-178.513.5000109.6E274 T275 E276N272-E274 PolarHBondContact O-N 2.74Å; N272-E274 VanDerWaalsContact O-N 3.16Å; N272-E274 PolarHBondContact OD1-N 3.29Å; N272-T275 PolarHBondContact O-N 2.63Å; N272-E276 PolarHBondContact O-N 2.67Å
273D65.2Low69Low82 Ų8281.7 Ų81.744%0.43943%0.433SS..Hα-helixtrans-56.8-30.7179-71.4-35.5000111.8M102 Y271 Y277M102-D273 WeakPolarHBondContact CE-OD1 3.5Å; Y271-D273 VanDerWaalsContact CE1-OD1 3.24Å; Y271-D273 WeakPolarHBondContact CE1-OD1 3.24Å; Y271-D273 VanDerWaalsContact CZ-OD1 3.32Å; Y271-D273 PolarHBondContact OH-OD1 3.09Å; D273-Y277 PolarHBondContact O-N 2.76Å
274E59.2Low67.1Low141 Ų14187.1 Ų87.166%0.65946%0.461SS*.Hα-helixtrans-71.2-33.1177.4-60.7-167.6155.500113.5N272 T278N272-E274 PolarHBondContact O-N 2.74Å; N272-E274 VanDerWaalsContact O-N 3.16Å; N272-E274 PolarHBondContact OD1-N 3.29Å; E274-T278 WeakPolarHBondContact O-CB 3.39Å; E274-T278 PolarHBondContact O-N 3.09Å; E274-T278 PolarHBondContact O-OG1 2.61Å
275T56.3Low65.2Low73 Ų7386.5 Ų86.545%0.44846%0.462SS..Hα-helixtrans-71.7-37.1-178.8-51.50000110.4N272 T278 L279N272-T275 PolarHBondContact O-N 2.63Å; T275-T278 PolarHBondContact O-N 2.72Å; T275-L279 HydrophobicContact CG2-CD1 4.14Å; T275-L279 WeakPolarHBondContact O-CB 3.44Å; T275-L279 WeakPolarHBondContact O-CD1 3.15Å; T275-L279 WeakPolarHBondContact O-CG 3.37Å; T275-L279 PolarHBondContact O-N 3.2Å
276E56.6Low63.2Low71 Ų7186.7 Ų86.733%0.33246%0.462SS..Hα-helixtrans-73.6-37.9176-174.3166.1-150.100112.7K98 Y271 N272 T278 L279 T280K98-E276 VanDerWaalsContact CE-OE2 3.24Å; K98-E276 WeakPolarHBondContact CE-OE2 3.21Å; K98-E276 IonicContact NZ-OE1 2.79Å; K98-E276 PolarHBondContact NZ-OE1 3.47Å; K98-E276 IonicContact NZ-OE2 3.62Å; K98-E276 PolarHBondContact NZ-OE2 3.44Å; Y271-E276 WeakPolarHBondContact CE2-OE2 3.41Å; Y271-E276 PolarHBondContact OH-OE2 3.03Å; Y271-E276 VanDerWaalsContact OH-OE2 3.09Å; N272-E276 PolarHBondContact O-N 2.67Å; E276-T278 VanDerWaalsContact C-N 3.29Å; E276-T278 PolarHBondContact O-N 2.9Å; E276-L279 PolarHBondContact O-N 3.26Å; E276-T280 HydrophobicContact CG-CG2 4.3Å; E276-T280 WeakPolarHBondContact O-CB 3.48Å; E276-T280 WeakPolarHBondContact O-CG2 3.46Å; E276-T280 PolarHBondContact O-N 3.18Å; E276-T280 PolarHBondContact O-OG1 2.96Å
277Y55.1Low60.9Low165 Ų16595.4 Ų95.465%0.64749%0.493SS*.Hα-helixtrans-60.3-41.8172.4-169.1-91.6000111.3D273 T280 Y281D273-Y277 PolarHBondContact O-N 2.76Å; Y277-T280 WeakPolarHBondContact CA-OG1 3.12Å; Y277-T280 PolarHBondContact O-OG1 3.5Å; Y277-Y281 WeakPolarHBondContact O-CB 3.45Å; Y277-Y281 PolarHBondContact O-N 2.73Å
278T51.8Low58.7Low73 Ų73100.4 Ų100.445%0.44852%0.516SS..Hα-helixtrans-67.5-44.8177.2-50.20000111.7E274 T275 E276 T280 Y281 D282E274-T278 WeakPolarHBondContact O-CB 3.39Å; E274-T278 PolarHBondContact O-N 3.09Å; E274-T278 PolarHBondContact O-OG1 2.61Å; T275-T278 PolarHBondContact O-N 2.72Å; E276-T278 VanDerWaalsContact C-N 3.29Å; E276-T278 PolarHBondContact O-N 2.9Å; T278-T280 PolarHBondContact O-N 3.35Å; T278-Y281 PolarHBondContact O-N 3.04Å; T278-D282 VanDerWaalsContact O-CB 3.3Å; T278-D282 WeakPolarHBondContact O-CB 3.36Å; T278-D282 VanDerWaalsContact O-CG 3.24Å; T278-D282 PolarHBondContact O-N 3.04Å
279L56.1Low56.8Low112 Ų112103.8 Ų103.859%0.58654%0.535SS*.Hα-helixtrans-64.5-38.4177.7-74.1166.3000113T275 E276 A283T275-L279 HydrophobicContact CG2-CD1 4.14Å; T275-L279 WeakPolarHBondContact O-CB 3.44Å; T275-L279 WeakPolarHBondContact O-CD1 3.15Å; T275-L279 WeakPolarHBondContact O-CG 3.37Å; T275-L279 PolarHBondContact O-N 3.2Å; E276-L279 PolarHBondContact O-N 3.26Å; L279-A283 WeakPolarHBondContact O-CB 3.38Å; L279-A283 PolarHBondContact O-N 3.16Å
280T55.1Low55.3Low68 Ų68103 Ų10342%0.41753%0.532SS..Hα-helixtrans-72.3-40.8176.549.70000111.7E276 Y277 T278 A283 L284E276-T280 HydrophobicContact CG-CG2 4.3Å; E276-T280 WeakPolarHBondContact O-CB 3.48Å; E276-T280 WeakPolarHBondContact O-CG2 3.46Å; E276-T280 PolarHBondContact O-N 3.18Å; E276-T280 PolarHBondContact O-OG1 2.96Å; Y277-T280 WeakPolarHBondContact CA-OG1 3.12Å; Y277-T280 PolarHBondContact O-OG1 3.5Å; T278-T280 PolarHBondContact O-N 3.35Å; T280-A283 PolarHBondContact O-N 2.87Å; T280-L284 WeakPolarHBondContact O-CB 3.08Å; T280-L284 WeakPolarHBondContact O-CD1 3.13Å; T280-L284 WeakPolarHBondContact O-CG 3.39Å; T280-L284 PolarHBondContact O-N 3.46Å
281Y52.6Low53.8Low124 Ų12498.8 Ų98.849%0.48653%0.526SS..Hα-helixtrans-59-50.2172-173.6-95.6000111.2Y277 T278 A283 L284 H285Y277-Y281 WeakPolarHBondContact O-CB 3.45Å; Y277-Y281 PolarHBondContact O-N 2.73Å; T278-Y281 PolarHBondContact O-N 3.04Å; Y281-A283 PolarHBondContact O-N 3.39Å; Y281-L284 PolarHBondContact O-N 2.88Å; Y281-H285 AromaticContact CD1-CD2 3.51Å; Y281-H285 AromaticContact CD2-CD2 3.77Å; Y281-H285 AromaticContact CD2-NE2 3.61Å; Y281-H285 AromaticContact CE1-CD2 3.28Å; Y281-H285 WeakPolarHBondContact CE1-CD2 3.28Å; Y281-H285 AromaticContact CE1-NE2 3.63Å; Y281-H285 AromaticContact CE2-CD2 3.58Å; Y281-H285 AromaticContact CE2-NE2 3.08Å; Y281-H285 WeakPolarHBondContact CE2-NE2 3.3Å; Y281-H285 AromaticContact CG-CD2 3.74Å; Y281-H285 AromaticContact CZ-CD2 3.31Å; Y281-H285 AromaticContact CZ-NE2 3.07Å; Y281-H285 PolarHBondContact O-CD2 3.44Å; Y281-H285 PolarHBondContact O-N 3.43Å; Y281-H285 PolarHBondContact OH-NE2 2.78Å
282D50.4Low51.9Low82 Ų82100.3 Ų100.344%0.43955%0.553SS.*Hα-helixtrans-64-41.3177.8-72.7-16000111.7T278 L284 H285 V286T278-D282 VanDerWaalsContact O-CB 3.3Å; T278-D282 WeakPolarHBondContact O-CB 3.36Å; T278-D282 VanDerWaalsContact O-CG 3.24Å; T278-D282 PolarHBondContact O-N 3.04Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 2.82Å; D282-H285 PolarHBondContact O-N 3.29Å; D282-V286 VanDerWaalsContact O-CB 3.28Å; D282-V286 WeakPolarHBondContact O-CB 3.43Å; D282-V286 WeakPolarHBondContact O-CG2 3.2Å; D282-V286 PolarHBondContact O-N 3.38Å
283A53.7Low50.3Low59 Ų59101 Ų10149%0.48858%0.578SS.*Hα-helixtrans-65.4-34.8177.100000113.1L279 T280 Y281 R287L279-A283 WeakPolarHBondContact O-CB 3.38Å; L279-A283 PolarHBondContact O-N 3.16Å; T280-A283 PolarHBondContact O-N 2.87Å; Y281-A283 PolarHBondContact O-N 3.39Å; A283-R287 PolarHBondContact O-N 2.91Å
284L55.3Low48.7Very low113 Ų113100.7 Ų100.759%0.59260%0.595SS**Hα-helixtrans-70.5-41.7174.4-72.4165.8000111.1T280 Y281 D282 R287 E288T280-L284 WeakPolarHBondContact O-CB 3.08Å; T280-L284 WeakPolarHBondContact O-CD1 3.13Å; T280-L284 WeakPolarHBondContact O-CG 3.39Å; T280-L284 PolarHBondContact O-N 3.46Å; Y281-L284 PolarHBondContact O-N 2.88Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 2.82Å; L284-R287 PolarHBondContact O-N 3.32Å; L284-E288 PolarHBondContact O-N 2.95Å
285H52.5Low47.6Very low70 Ų70103.3 Ų103.332%0.32461%0.607SS.*Hα-helixtrans-79.7-24.7180-72.4-55.3000114.8Y281 D282 R287 E288 S289Y281-H285 AromaticContact CD1-CD2 3.51Å; Y281-H285 AromaticContact CD2-CD2 3.77Å; Y281-H285 AromaticContact CD2-NE2 3.61Å; Y281-H285 AromaticContact CE1-CD2 3.28Å; Y281-H285 WeakPolarHBondContact CE1-CD2 3.28Å; Y281-H285 AromaticContact CE1-NE2 3.63Å; Y281-H285 AromaticContact CE2-CD2 3.58Å; Y281-H285 AromaticContact CE2-NE2 3.08Å; Y281-H285 WeakPolarHBondContact CE2-NE2 3.3Å; Y281-H285 AromaticContact CG-CD2 3.74Å; Y281-H285 AromaticContact CZ-CD2 3.31Å; Y281-H285 AromaticContact CZ-NE2 3.07Å; Y281-H285 PolarHBondContact O-CD2 3.44Å; Y281-H285 PolarHBondContact O-N 3.43Å; Y281-H285 PolarHBondContact OH-NE2 2.78Å; D282-H285 PolarHBondContact O-N 3.29Å; H285-R287 VanDerWaalsContact C-N 3.34Å; H285-E288 IonicContact CE1-OE2 3.49Å; H285-E288 IonicContact ND1-OE2 3.02Å; H285-E288 PolarHBondContact ND1-OE2 3.37Å; H285-E288 PolarHBondContact O-N 2.97Å; H285-S289 WeakPolarHBondContact O-CB 3.28Å; H285-S289 PolarHBondContact O-N 3.48Å; H285-S289 VanDerWaalsContact O-N 3.13Å; H285-S289 PolarHBondContact O-OG 3.43Å
286V51Low46.5Very low88 Ų88110 Ų11053%0.53363%0.63SS.*Hα-helixtrans-68.1-37.1169169.10000110.4D282 E288 S289 C290D282-V286 VanDerWaalsContact O-CB 3.28Å; D282-V286 WeakPolarHBondContact O-CB 3.43Å; D282-V286 WeakPolarHBondContact O-CG2 3.2Å; D282-V286 PolarHBondContact O-N 3.38Å; V286-E288 VanDerWaalsContact C-N 3.34Å; V286-E288 PolarHBondContact O-N 3.37Å; V286-S289 PolarHBondContact O-N 3.02Å; V286-C290 PolarHBondContact O-N 3.13Å
287R45.7Very low45.2Very low216 Ų216113.9 Ų113.982%0.81565%0.653SS**Hα-helixtrans-66.3-33.2174.2-86.4-177.8167.9174.5-1.2113.3A283 L284 H285 S289A283-R287 PolarHBondContact O-N 2.91Å; L284-R287 PolarHBondContact O-N 3.32Å; H285-R287 VanDerWaalsContact C-N 3.34Å; R287-S289 VanDerWaalsContact C-N 3.33Å
288E44.9Very low44.1Very low143 Ų143113 Ų11367%0.66866%0.657SS**Hα-helixtrans-72.9-26.2173.2-71.5-178.5151.800112.7L284 H285 V286L284-E288 PolarHBondContact O-N 2.95Å; H285-E288 IonicContact CE1-OE2 3.49Å; H285-E288 IonicContact ND1-OE2 3.02Å; H285-E288 PolarHBondContact ND1-OE2 3.37Å; H285-E288 PolarHBondContact O-N 2.97Å; V286-E288 VanDerWaalsContact C-N 3.34Å; V286-E288 PolarHBondContact O-N 3.37Å
289S45.1Very low43Very low94 Ų94118.7 Ų118.766%0.65768%0.681SS**Hα-helixtrans-87.6-12.7-176.8-57.10000114.6H285 V286 R287 G291H285-S289 WeakPolarHBondContact O-CB 3.28Å; H285-S289 PolarHBondContact O-N 3.48Å; H285-S289 VanDerWaalsContact O-N 3.13Å; H285-S289 PolarHBondContact O-OG 3.43Å; V286-S289 PolarHBondContact O-N 3.02Å; R287-S289 VanDerWaalsContact C-N 3.33Å; S289-G291 PolarHBondContact O-N 2.82Å
290C41.8Very low42Very low114 Ų114122 Ų12277%0.7769%0.69SS**THydrogen-bonded Turntrans-838.7175.3-71.60000114.3V286V286-C290 PolarHBondContact O-N 3.13Å
291G40.8Very low40.7Very low71 Ų71130.6 Ų130.673%0.73272%0.715SS**SBendtrans-121.368.8177.100000113.1S289S289-G291 PolarHBondContact O-N 2.82Å
292G32.9Very low39.5Very low70 Ų70129.4 Ų129.472%0.72273%0.725SS**  trans155.3106.8167.800000114.2
293G34.5Very low38.6Very low91 Ų91134.6 Ų134.694%0.93875%0.746SS**  trans-66.8144.7169.800000112.3
294G30.8Very low37.3Very low77 Ų77136.6 Ų136.679%0.79476%0.757SS**  trans169.496173.500000112.6
295E37.7Very low36.1Very low196 Ų196137.6 Ų137.692%0.91677%0.768SS**  trans-48.6137.8168.3-135171.7-17700112.6
296K32.8Very low35.1Very low212 Ų212140.8 Ų140.892%0.92279%0.792SS**  trans-166.4148.2144.2-108.8169.7-167.2-175.30114.7
297D29.4Very low34.2Very low153 Ų153145.7 Ų145.782%0.81881%0.809SS**  trans-58.4139.3-164.9-89.3-51000119.4
298M31.8Very low33.4Very low148 Ų148140 Ų14073%0.72981%0.808SS**  22.9121.6129.1-133.817265.800120.8
299M28.2Very low32.5Very low192 Ų192137.5 Ų137.595%0.94681%0.812SS**  trans-148117.7139.7-149.885.9-178.400110.4
300K34.5Very low31.9Very low182 Ų182137.9 Ų137.979%0.79182%0.821SS**  trans-74.3138.1175.2-70.5177.1177.1176.90110.5
301R28.8Very low31.3Very low247 Ų247140.4 Ų140.493%0.93283%0.826SS**  trans-140.8116.8153.6-159.9171.5-176.4178.1-0111.1
302S27.5Very low30.9Very low100 Ų100148.9 Ų148.970%0.69984%0.836SS**  trans-74.6141.5176.5-45.90000111.5
303Q30.3Very low30.6Very low190 Ų190154.6 Ų154.689%0.88884%0.843SS**  156.5139.9108.3-93.7-177.3-13.500114.1
304S28Very low30.2Very low102 Ų102158.9 Ų158.971%0.71384%0.841SS**  trans89.295139.2-162.40000119.8
305T30Very low30Very low133 Ų133163.2 Ų163.282%0.81685%0.846SS**  trans-45139.8147.531.10000114.3
306V29.9Very low29.7Very low137 Ų137165 Ų16583%0.8384%0.844SS**  trans-140.2114.3146.1-169.10000107.8
307E33.1Very low29.6Very low192 Ų192163.9 Ų163.990%0.89784%0.843SS**  trans-76.3142.3164.8-90.1179.714300109.9
308A28.2Very low29.6Very low95 Ų95162.7 Ų162.779%0.78584%0.841SS**  trans-145.3107.6157.900000111.4
309A26.7Very low29.6Very low91 Ų91161.1 Ų161.175%0.75285%0.845SS**  trans61.1109.8136.100000119.6
310A32.8Very low29.7Very low102 Ų102157.8 Ų157.884%0.84384%0.835SS**  trans-51.8129.4159.400000112.7
311L28.3Very low29.8Very low167 Ų167152 Ų15287%0.87482%0.816SS**  trans-118.1114.3155.9-107.1118000108.4Q313L311-Q313 PolarHBondContact O-N 3.13Å
312R33.1Very low30.3Very low249 Ų249147.2 Ų147.294%0.9481%0.809SS**  trans-61.1124.1168.6-72.6176.5173.9169.8-2.7108.5
313Q27.3Very low31Very low190 Ų190145.1 Ų145.189%0.88879%0.789SS**  trans-123.2132.9165.5-139.1166.6100108.6L311L311-Q313 PolarHBondContact O-N 3.13Å
314M26.2Very low31Very low181 Ų181140 Ų14089%0.89278%0.779SS**  trans-64.1135.2-170.2-62.7172.17100111R316M314-R316 PolarHBondContact O-N 3.43Å; M314-R316 VanDerWaalsContact O-N 3.08Å
315D26Very low31.6Very low168 Ų168140.6 Ų140.690%0.89877%0.774SS**  trans-53.6112171.7-68.6-44.5000110.2
316R31.8Very low31.9Very low233 Ų233144.9 Ų144.988%0.87979%0.792SS**  trans-102114.7152.5-94.7-176.3172.5179.3-2.4105.7M314 T318M314-R316 PolarHBondContact O-N 3.43Å; M314-R316 VanDerWaalsContact O-N 3.08Å; R316-T318 PolarHBondContact O-N 3.3Å
317E29Very low32Very low189 Ų189145.3 Ų145.388%0.88379%0.79SS**  trans-48.9107.8170.7-70.5175.9156.700109S319E317-S319 PolarHBondContact O-N 3.42Å; E317-S319 VanDerWaalsContact O-N 3.11Å
318T30.7Very low31.9Very low128 Ų128142.8 Ų142.879%0.78579%0.785SS**  trans-68.1102.3167.134.80000106.9R316 T320R316-T318 PolarHBondContact O-N 3.3Å; T318-T320 VanDerWaalsContact C-N 3.28Å; T318-T320 PolarHBondContact O-N 3.2Å
319S31Very low32.1Very low115 Ų115145.5 Ų145.580%0.80479%0.785SS**  trans-64.394.1164.6-57.60000108E317 P321E317-S319 PolarHBondContact O-N 3.42Å; E317-S319 VanDerWaalsContact O-N 3.11Å; S319-P321 WeakPolarHBondContact O-CD 3.47Å
320T31.8Very low32.5Very low122 Ų122148.7 Ų148.775%0.74879%0.786SS**  trans-60.1121.4160.4140000107.4T318 L322T318-T320 VanDerWaalsContact C-N 3.28Å; T318-T320 PolarHBondContact O-N 3.2Å; T320-L322 PolarHBondContact O-N 3.28Å
321P35.7Very low32.4Very low61 Ų61151.6 Ų151.640%0.39678%0.783SS.*  trans-57.1128.6168.5-18.530.1000107.5S319 L323S319-P321 WeakPolarHBondContact O-CD 3.47Å; P321-L323 HydrophobicContact CB-CD1 4.11Å; P321-L323 HydrophobicContact CB-CG 4.14Å; P321-L323 PolarHBondContact O-N 3.48Å
322L40.1Very low32.7Very low147 Ų147150.6 Ų150.677%0.7778%0.777SS**  trans-66.573.9170-97.4141.7000108.6T320T320-L322 PolarHBondContact O-N 3.28Å
323L41.8Very low32.7Very low55 Ų55143.6 Ų143.629%0.28877%0.765SS.*  trans-107.222.5172.8-77.6173.4000111.5V147 P321 L325V147-L323 HydrophobicContact CG2-CD1 3.97Å; P321-L323 HydrophobicContact CB-CD1 4.11Å; P321-L323 HydrophobicContact CB-CG 4.14Å; P321-L323 PolarHBondContact O-N 3.48Å; L323-L325 PolarHBondContact O-N 3.38Å
324A30.5Very low33.1Very low83 Ų83140 Ų14069%0.68676%0.756SS**  trans-84.888.3166.600000108.6D326A324-D326 VanDerWaalsContact C-N 3.28Å
325L40.7Very low33.7Very low115 Ų115136.6 Ų136.660%0.60274%0.744SS**  trans-93.572.4153.1-71.4172.1000107.1L48 L323L48-L325 HydrophobicContact CD1-CD2 4.09Å; L323-L325 PolarHBondContact O-N 3.38Å
326D35.1Very low34.4Very low223 Ų223133.7 Ų133.7100%1.19373%0.73SS**  trans-119.60152.9-81.8-23.9000107.9A324A324-D326 VanDerWaalsContact C-N 3.28Å

Retrieved 326 of 326 residues in 174.9 ms (Link to these results)

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