A0A087YMI6_POEFO Loading...

adenosylhomocysteinase

Catalyzes the hydrolysis of S-adenosyl-L-homocysteine to form adenosine and homocysteine. Binds copper ions.

AlphaFold DB , UniProt , Accession A0A087YMI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 433 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
1M48.5Very low85.9Confident242 Ų242100.2 Ų100.2100%1.19253%0.533SS*.  0115.80-61.3-179.4-154.300105.4E3M1-E3 PolarHBondContact O-N 2.95Å
2S49.1Very low87Confident117 Ų11796.4 Ų96.482%0.81851%0.512SS*.  trans-56.5136.5172.150.80000108.5K4S2-K4 PolarHBondContact O-N 3.37Å
3E73.7Confident87.9Confident194 Ų19495.5 Ų95.591%0.90752%0.518SS*.  trans-54.2112.7175.7-99.8178.514500109.5M1 L5M1-E3 PolarHBondContact O-N 2.95Å; E3-L5 PolarHBondContact O-N 3.12Å
4K89.6Confident88.6Confident81 Ų8191.9 Ų91.935%0.35250%0.498SS..  trans-67.6128.3175.6-171-170.4-177.7-1630108.3S2 Y100 Q116 Y119S2-K4 PolarHBondContact O-N 3.37Å; K4-Y100 VanDerWaalsContact CE-OH 3.3Å; K4-Y100 WeakPolarHBondContact CE-OH 3.37Å; K4-Q116 WeakPolarHBondContact CE-O 3.47Å; K4-Q116 PolarHBondContact NZ-O 3.34Å; K4-Y119 PolarHBondContact NZ-O 3.22Å
5L95.3Very high89.3Confident82 Ų8286.7 Ų86.743%0.42947%0.472SS..  trans-61.8138.9176.3-66.9176.1000110.4E3 Y7 Y100 W112E3-L5 PolarHBondContact O-N 3.12Å; L5-Y7 VanDerWaalsContact C-N 3.26Å; L5-Y7 PolarHBondContact O-N 3.44Å; L5-Y100 HydrophobicContact CB-CE1 4.31Å; L5-Y100 PolarHBondContact O-OH 2.97Å; L5-W112 HydrophobicContact CD1-CH2 4.09Å; L5-W112 HydrophobicContact CD1-CZ2 4.16Å
6P95.8Very high89.9Confident86 Ų8689.4 Ų89.456%0.55848%0.48SS*.SBendtrans-66.3-29.9177.426.9-34.4000112.6P98P6-P98 VanDerWaalsContact O-CA 3.31Å; P6-P98 WeakPolarHBondContact O-CA 3.44Å; P6-P98 VanDerWaalsContact O-CB 3.28Å; P6-P98 WeakPolarHBondContact O-CB 3.4Å
7Y98.3Very high90.4Very high83 Ų8392.7 Ų92.733%0.32549%0.485SS..  trans-167.4167.7173.956.9-99.6000108.7L5 V9 I12 A93 V99L5-Y7 VanDerWaalsContact C-N 3.26Å; L5-Y7 PolarHBondContact O-N 3.44Å; Y7-V9 HydrophobicContact CD2-CG2 4.12Å; Y7-V9 HydrophobicContact CE2-CG2 4.24Å; Y7-I12 HydrophobicContact CE2-CD1 4.03Å; Y7-I12 HydrophobicContact CE2-CG1 4.37Å; Y7-A93 HydrophobicContact CD1-CB 4.06Å; Y7-A93 HydrophobicContact CD2-CB 3.97Å; Y7-A93 HydrophobicContact CE2-CB 4.44Å; Y7-A93 HydrophobicContact CG-CB 3.78Å; Y7-V99 CarbonylContact C-O 3.57Å; Y7-V99 WeakPolarHBondContact CA-O 3.5Å; Y7-V99 VanDerWaalsContact CB-O 3.27Å; Y7-V99 WeakPolarHBondContact CB-O 3.31Å
8K98.7Very high90.9Very high71 Ų7187.6 Ų87.631%0.30946%0.458SS..BIsolated β-bridgetrans-142.7114.9164.5-171-178.2172-157.40108.5V99 Y100 A101 W102 E109 W112K8-V99 PolarHBondContact N-O 2.61Å; K8-Y100 HydrophobicContact CB-CD1 4.13Å; K8-Y100 WeakPolarHBondContact O-CA 3.16Å; K8-A101 PolarHBondContact O-N 3.4Å; K8-W102 HydrophobicContact CB-CZ3 3.98Å; K8-W102 HydrophobicContact CD-CE3 4.43Å; K8-W102 HydrophobicContact CD-CH2 3.56Å; K8-W102 HydrophobicContact CD-CZ2 4.45Å; K8-W102 HydrophobicContact CD-CZ3 3.52Å; K8-W102 HydrophobicContact CG-CE3 4.14Å; K8-W102 HydrophobicContact CG-CH2 4.16Å; K8-W102 HydrophobicContact CG-CZ3 3.59Å; K8-W102 VanDerWaalsContact NZ-CH2 3.26Å; K8-E109 IonicContact NZ-OE1 3.98Å; K8-E109 PolarHBondContact NZ-OE1 3.28Å; K8-E109 VanDerWaalsContact NZ-OE1 3.16Å; K8-W112 HydrophobicContact CB-CH2 3.97Å; K8-W112 HydrophobicContact CB-CZ3 4.12Å; K8-W112 HydrophobicContact CD-CH2 3.65Å; K8-W112 HydrophobicContact CD-CZ3 3.63Å; K8-W112 HydrophobicContact CG-CH2 4.43Å; K8-W112 HydrophobicContact CG-CZ3 4.47Å
9V98.8Very high91.3Very high20 Ų2087.3 Ų87.312%0.12145%0.45CS..  trans-135.2161.5-179.5-59.60000109Y7 I12 A89 A93 V99Y7-V9 HydrophobicContact CD2-CG2 4.12Å; Y7-V9 HydrophobicContact CE2-CG2 4.24Å; V9-I12 HydrophobicContact CG2-CB 4.48Å; V9-I12 HydrophobicContact CG2-CD1 4.26Å; V9-A89 HydrophobicContact CB-CB 4.36Å; V9-A89 HydrophobicContact CG1-CB 3.89Å; V9-A93 HydrophobicContact CG1-CB 4.05Å; V9-V99 HydrophobicContact CG1-CB 4.35Å; V9-V99 HydrophobicContact CG1-CG1 4.21Å
10A98.6Very high91.7Very high60 Ų6089 Ų8950%0.49645%0.454SS..SBendtrans-58.7-53-176.700000113D86 W102A10-D86 HydrophobicContact CB-CB 3.95Å; A10-W102 HydrophobicContact CB-CB 3.83Å
11D98.6Very high92Very high66 Ų6685.4 Ų85.435%0.35344%0.438SS..  trans-151.6113-179.6179.77.9000110.9S13 L14 A90D11-S13 PolarHBondContact O-N 2.9Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-N 3.06Å; D11-S13 PolarHBondContact OD1-OG 2.75Å; D11-S13 VanDerWaalsContact OD1-OG 3.06Å; D11-S13 PolarHBondContact OD2-OG 3.48Å; D11-L14 HydrophobicContact CB-CD1 4.12Å; D11-L14 HydrophobicContact CB-CG 4.07Å; D11-L14 PolarHBondContact O-N 3.34Å; D11-A90 VanDerWaalsContact O-CB 3.28Å; D11-A90 WeakPolarHBondContact O-CB 3.38Å
12I98.7Very high94.4Very high55 Ų5573.9 Ų73.928%0.28238%0.381SS..G310 helixtrans-67.8-18.2179.3-163.361.6000112.9Y7 V9 L14 A15 A90 A93 K94Y7-I12 HydrophobicContact CE2-CD1 4.03Å; Y7-I12 HydrophobicContact CE2-CG1 4.37Å; V9-I12 HydrophobicContact CG2-CB 4.48Å; V9-I12 HydrophobicContact CG2-CD1 4.26Å; I12-L14 PolarHBondContact O-N 2.95Å; I12-A15 WeakPolarHBondContact O-CB 3.46Å; I12-A15 PolarHBondContact O-N 3.36Å; I12-A90 HydrophobicContact CD1-CB 4.46Å; I12-A90 WeakPolarHBondContact CD1-O 3.46Å; I12-A93 HydrophobicContact CD1-CB 3.81Å; I12-K94 HydrophobicContact CD1-CB 4.5Å
13S98.7Very high96.8Very high85 Ų8572 Ų7259%0.59437%0.365SS*.G310 helixtrans-65.8-21178.589.70000112.6D11 A15D11-S13 PolarHBondContact O-N 2.9Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-N 3.06Å; D11-S13 PolarHBondContact OD1-OG 2.75Å; D11-S13 VanDerWaalsContact OD1-OG 3.06Å; D11-S13 PolarHBondContact OD2-OG 3.48Å; S13-A15 PolarHBondContact O-N 2.96Å
14L98.8Very high97.9Very high45 Ų4568.7 Ų68.724%0.23635%0.352CS..G310 helixtrans-73.1-6.3178.5-57.1177.7000114D11 I12 E16 W17 G18 D86 H87 A90D11-L14 HydrophobicContact CB-CD1 4.12Å; D11-L14 HydrophobicContact CB-CG 4.07Å; D11-L14 PolarHBondContact O-N 3.34Å; I12-L14 PolarHBondContact O-N 2.95Å; L14-E16 VanDerWaalsContact C-N 3.28Å; L14-E16 PolarHBondContact O-N 3.25Å; L14-W17 HydrophobicContact CD2-CE3 4.23Å; L14-W17 PolarHBondContact O-N 3.47Å; L14-G18 PolarHBondContact O-N 3.38Å; L14-D86 HydrophobicContact CD1-CB 3.89Å; L14-H87 HydrophobicContact CB-CB 3.93Å; L14-A90 HydrophobicContact CB-CB 4Å
15A98.8Very high98.4Very high13 Ų1365 Ų6511%0.10734%0.336CS..Hα-helixtrans-58.2-34.4-173.200000114I12 S13 G18 R19 A90 K94I12-A15 WeakPolarHBondContact O-CB 3.46Å; I12-A15 PolarHBondContact O-N 3.36Å; S13-A15 PolarHBondContact O-N 2.96Å; A15-G18 PolarHBondContact O-N 3.02Å; A15-R19 WeakPolarHBondContact O-CB 3.38Å; A15-R19 PolarHBondContact O-N 3.39Å; A15-A90 HydrophobicContact CB-CB 4.24Å; A15-K94 HydrophobicContact CB-CB 3.83Å; A15-K94 HydrophobicContact CB-CG 4.08Å
16E98.7Very high98.5Very high130 Ų13062.9 Ų62.961%0.60732%0.324SS*.Hα-helixtrans-69.1-42.9179.3-166.3-168.1146.100111.7L14 R19 K20L14-E16 VanDerWaalsContact C-N 3.28Å; L14-E16 PolarHBondContact O-N 3.25Å; E16-R19 PolarHBondContact O-N 2.9Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 3.34Å; E16-K20 VanDerWaalsContact O-N 3.15Å; E16-K20 VanDerWaalsContact OE1-CE 3.3Å; E16-K20 WeakPolarHBondContact OE1-CE 3.25Å; E16-K20 IonicContact OE1-NZ 3.28Å; E16-K20 PolarHBondContact OE1-NZ 2.9Å
17W98.6Very high98.7Very high146 Ų14664 Ų6455%0.55333%0.326SS*.Hα-helixtrans-62.3-47.7172.7169.127.7000110.4L14 R19 K20 A21 H87L14-W17 HydrophobicContact CD2-CE3 4.23Å; L14-W17 PolarHBondContact O-N 3.47Å; W17-R19 VanDerWaalsContact C-N 3.31Å; W17-R19 PolarHBondContact O-N 3.5Å; W17-K20 PolarHBondContact O-N 2.82Å; W17-K20 VanDerWaalsContact O-N 3.11Å; W17-A21 PolarHBondContact O-N 3.29Å; W17-H87 HydrophobicContact CD2-CB 3.81Å; W17-H87 AromaticContact CD2-CG 3.89Å; W17-H87 AromaticContact CE2-CD2 3.77Å; W17-H87 AromaticContact CE2-CG 3.93Å; W17-H87 HydrophobicContact CE3-CB 3.54Å; W17-H87 AromaticContact CE3-CG 3.86Å; W17-H87 HydrophobicContact CG-CB 4.36Å; W17-H87 HydrophobicContact CH2-CB 4.45Å; W17-H87 AromaticContact CH2-CE1 3.92Å; W17-H87 AromaticContact CH2-CG 3.95Å; W17-H87 AromaticContact CH2-ND1 3.6Å; W17-H87 AromaticContact CZ2-CD2 3.98Å; W17-H87 AromaticContact CZ2-CE1 3.81Å; W17-H87 AromaticContact CZ2-CG 3.97Å; W17-H87 AromaticContact CZ2-ND1 3.85Å; W17-H87 AromaticContact CZ2-NE2 3.9Å; W17-H87 HydrophobicContact CZ3-CB 3.89Å; W17-H87 AromaticContact CZ3-CG 3.9Å; W17-H87 AromaticContact CZ3-ND1 3.83Å
18G98.8Very high98.7Very high0 Ų063.5 Ų63.50%033%0.326CS..Hα-helixtrans-53.3-46175.600000112.9L14 A15 K20 A21 I22 H87L14-G18 PolarHBondContact O-N 3.38Å; A15-G18 PolarHBondContact O-N 3.02Å; G18-K20 PolarHBondContact O-N 3.05Å; G18-A21 PolarHBondContact O-N 3.22Å; G18-I22 WeakPolarHBondContact O-CB 3.46Å; G18-I22 VanDerWaalsContact O-CG1 3.23Å; G18-I22 WeakPolarHBondContact O-CG1 3.32Å; G18-I22 PolarHBondContact O-N 2.97Å; G18-H87 VanDerWaalsContact CA-O 3.28Å; G18-H87 WeakPolarHBondContact CA-O 3.24Å
19R98.8Very high98.7Very high83 Ų8360.1 Ų60.131%0.31331%0.312SS..Hα-helixtrans-60.4-43.5176.817953.357.6-172.40.1112.6A15 E16 W17 A21 I22 T23 E65 T95A15-R19 WeakPolarHBondContact O-CB 3.38Å; A15-R19 PolarHBondContact O-N 3.39Å; E16-R19 PolarHBondContact O-N 2.9Å; W17-R19 VanDerWaalsContact C-N 3.31Å; W17-R19 PolarHBondContact O-N 3.5Å; R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact O-N 2.73Å; R19-I22 PolarHBondContact O-N 3.47Å; R19-T23 PolarHBondContact O-N 2.86Å; R19-T23 PolarHBondContact O-OG1 3.03Å; R19-E65 IonicContact CZ-OE1 3.44Å; R19-E65 VanDerWaalsContact CZ-OE1 3.24Å; R19-E65 IonicContact CZ-OE2 3.28Å; R19-E65 VanDerWaalsContact NH1-CD 3.33Å; R19-E65 IonicContact NH1-OE1 2.65Å; R19-E65 PolarHBondContact NH1-OE1 3.2Å; R19-E65 IonicContact NH1-OE2 2.75Å; R19-E65 PolarHBondContact NH1-OE2 3.2Å; R19-E65 IonicContact NH2-OE1 3.16Å; R19-E65 PolarHBondContact NH2-OE1 2.7Å; R19-T95 VanDerWaalsContact NH2-CG2 3.33Å
20K98.8Very high98.7Very high121 Ų12160.3 Ų60.353%0.52631%0.313SS..Hα-helixtrans-61.4-44176.9-69.9170.7-173.9166.90111E16 W17 G18 T23 I24E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 3.34Å; E16-K20 VanDerWaalsContact O-N 3.15Å; E16-K20 VanDerWaalsContact OE1-CE 3.3Å; E16-K20 WeakPolarHBondContact OE1-CE 3.25Å; E16-K20 IonicContact OE1-NZ 3.28Å; E16-K20 PolarHBondContact OE1-NZ 2.9Å; W17-K20 PolarHBondContact O-N 2.82Å; W17-K20 VanDerWaalsContact O-N 3.11Å; G18-K20 PolarHBondContact O-N 3.05Å; K20-T23 WeakPolarHBondContact O-CB 3.4Å; K20-T23 PolarHBondContact O-N 2.74Å; K20-I24 PolarHBondContact O-N 3.25Å
21A98.5Very high98.7Very high14 Ų1457.5 Ų57.512%0.11629%0.29CS..Hα-helixtrans-69.1-37.9178.700000112.8W17 G18 R19 T23 I24 A25 L58W17-A21 PolarHBondContact O-N 3.29Å; G18-A21 PolarHBondContact O-N 3.22Å; R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact O-N 2.73Å; A21-T23 VanDerWaalsContact C-N 3.32Å; A21-T23 PolarHBondContact O-N 2.88Å; A21-I24 PolarHBondContact O-N 2.95Å; A21-A25 PolarHBondContact O-N 2.86Å; A21-L58 HydrophobicContact CB-CD1 3.69Å; A21-L58 HydrophobicContact CB-CD2 3.46Å; A21-L58 VanDerWaalsContact CB-CD2 3.46Å; A21-L58 HydrophobicContact CB-CG 4.23Å
22I98.8Very high98.7Very high0 Ų054.3 Ų54.30%027%0.273CS..Hα-helixtrans-60.1-43.2172.2-71.5165.2000110.4G18 R19 I24 A25 E26 L58 A61 V62 A91G18-I22 WeakPolarHBondContact O-CB 3.46Å; G18-I22 VanDerWaalsContact O-CG1 3.23Å; G18-I22 WeakPolarHBondContact O-CG1 3.32Å; G18-I22 PolarHBondContact O-N 2.97Å; R19-I22 PolarHBondContact O-N 3.47Å; I22-I24 VanDerWaalsContact C-N 3.26Å; I22-I24 PolarHBondContact O-N 3.25Å; I22-A25 CarbonylContact O-C 3.58Å; I22-A25 WeakPolarHBondContact O-CA 3.33Å; I22-A25 WeakPolarHBondContact O-CB 3.43Å; I22-A25 PolarHBondContact O-N 2.85Å; I22-E26 HydrophobicContact CG2-CG 4.27Å; I22-E26 WeakPolarHBondContact O-CG 3.27Å; I22-E26 PolarHBondContact O-N 3.04Å; I22-L58 HydrophobicContact CG1-CD2 3.82Å; I22-A61 HydrophobicContact CD1-CB 3.62Å; I22-A61 HydrophobicContact CG1-CB 3.85Å; I22-V62 HydrophobicContact CG2-CG2 4.1Å; I22-A91 HydrophobicContact CD1-CB 3.61Å
23T98.7Very high98.7Very high77 Ų7754.2 Ų54.247%0.47227%0.272SS..Hα-helixtrans-59.7-37.9178.3-53.10000111.7R19 K20 A21R19-T23 PolarHBondContact O-N 2.86Å; R19-T23 PolarHBondContact O-OG1 3.03Å; K20-T23 WeakPolarHBondContact O-CB 3.4Å; K20-T23 PolarHBondContact O-N 2.74Å; A21-T23 VanDerWaalsContact C-N 3.32Å; A21-T23 PolarHBondContact O-N 2.88Å
24I98.6Very high98.7Very high124 Ų12453.5 Ų53.564%0.63626%0.258SS*.Hα-helixtrans-67.3-44.8173.8-63.9168.2000110.2K20 A21 I22 E26 N27 E28K20-I24 PolarHBondContact O-N 3.25Å; A21-I24 PolarHBondContact O-N 2.95Å; I22-I24 VanDerWaalsContact C-N 3.26Å; I22-I24 PolarHBondContact O-N 3.25Å; I24-E26 PolarHBondContact O-N 2.94Å; I24-N27 PolarHBondContact O-N 3.28Å; I24-E28 PolarHBondContact O-N 2.99Å
25A98.6Very high98.7Very high3 Ų351.3 Ų51.33%0.02525%0.247CC..Hα-helixtrans-61.7-41.5178.900000112.2A21 I22 N27 E28 M29 V62A21-A25 PolarHBondContact O-N 2.86Å; I22-A25 CarbonylContact O-C 3.58Å; I22-A25 WeakPolarHBondContact O-CA 3.33Å; I22-A25 WeakPolarHBondContact O-CB 3.43Å; I22-A25 PolarHBondContact O-N 2.85Å; A25-N27 VanDerWaalsContact C-N 3.26Å; A25-N27 PolarHBondContact O-N 2.89Å; A25-E28 CarbonylContact O-C 3.02Å; A25-E28 WeakPolarHBondContact O-CA 3.31Å; A25-E28 PolarHBondContact O-N 2.86Å; A25-M29 HydrophobicContact CB-SD 4.4Å; A25-M29 WeakPolarHBondContact O-CG 3.35Å; A25-M29 PolarHBondContact O-N 3.02Å; A25-V62 HydrophobicContact CB-CG2 4Å
26E98.7Very high98.7Very high39 Ų3953.2 Ų53.218%0.18225%0.251CS..Hα-helixtrans-55.2-41.1176.5-74.1-178147.700112.2I22 I24 E28 M29 M33 R36 V62I22-E26 HydrophobicContact CG2-CG 4.27Å; I22-E26 WeakPolarHBondContact O-CG 3.27Å; I22-E26 PolarHBondContact O-N 3.04Å; I24-E26 PolarHBondContact O-N 2.94Å; E26-E28 PolarHBondContact O-N 2.72Å; E26-M29 PolarHBondContact O-N 3.23Å; E26-M29 VanDerWaalsContact O-N 3.1Å; E26-M33 HydrophobicContact CB-CE 4.2Å; E26-M33 HydrophobicContact CB-SD 3.95Å; E26-M33 HydrophobicContact CG-CE 3.95Å; E26-M33 HydrophobicContact CG-SD 4.15Å; E26-M33 WeakPolarHBondContact O-CG 3.4Å; E26-R36 IonicContact OE1-CZ 3.29Å; E26-R36 IonicContact OE1-NH1 2.93Å; E26-R36 PolarHBondContact OE1-NH1 2.77Å; E26-R36 IonicContact OE1-NH2 2.92Å; E26-R36 PolarHBondContact OE1-NH2 3.24Å; E26-V62 HydrophobicContact CG-CG1 4Å; E26-V62 HydrophobicContact CG-CG2 3.89Å
27N98.4Very high98.7Very high110 Ų11053.2 Ų53.259%0.58825%0.251SS*.Hα-helixtrans-66.1-26.7176.9-171.545000112.7I24 A25 K402I24-N27 PolarHBondContact O-N 3.28Å; A25-N27 VanDerWaalsContact C-N 3.26Å; A25-N27 PolarHBondContact O-N 2.89Å; N27-K402 PolarHBondContact ND2-NZ 2.94Å; N27-K402 WeakPolarHBondContact O-CE 3.17Å; N27-K402 PolarHBondContact O-NZ 3.04Å
28E98.7Very high98.7Very high72 Ų7250 Ų5034%0.33624%0.244SC..Hα-helixtrans-92.20.7174.8-72.9-59.5107.900113.3I24 A25 E26 P30 F357 K402I24-E28 PolarHBondContact O-N 2.99Å; A25-E28 CarbonylContact O-C 3.02Å; A25-E28 WeakPolarHBondContact O-CA 3.31Å; A25-E28 PolarHBondContact O-N 2.86Å; E26-E28 PolarHBondContact O-N 2.72Å; E28-P30 WeakPolarHBondContact O-CD 3.36Å; E28-F357 WeakPolarHBondContact O-CA 3.35Å; E28-K402 WeakPolarHBondContact OE1-CE 3.37Å; E28-K402 IonicContact OE1-NZ 3.88Å; E28-K402 PolarHBondContact OE1-NZ 3.29Å
29M98.8Very high98.6Very high0 Ų053 Ų530%026%0.256CS..  trans-117.762.3-177.3-64.4-179.989.900112.6A25 E26 G31 L32 M33 Q59 V62 S356 M359 S360 F363A25-M29 HydrophobicContact CB-SD 4.4Å; A25-M29 WeakPolarHBondContact O-CG 3.35Å; A25-M29 PolarHBondContact O-N 3.02Å; E26-M29 PolarHBondContact O-N 3.23Å; E26-M29 VanDerWaalsContact O-N 3.1Å; M29-G31 VanDerWaalsContact C-N 3.27Å; M29-G31 PolarHBondContact O-N 3.38Å; M29-L32 HydrophobicContact CB-CB 4.44Å; M29-L32 HydrophobicContact CE-CD1 3.46Å; M29-L32 VanDerWaalsContact CE-CD1 3.46Å; M29-L32 HydrophobicContact CE-CG 4.36Å; M29-L32 PolarHBondContact O-N 3.21Å; M29-L32 HydrophobicContact SD-CD1 4.27Å; M29-M33 WeakPolarHBondContact O-CG 3.46Å; M29-M33 PolarHBondContact O-N 3.03Å; M29-M33 VanDerWaalsContact O-N 3.1Å; M29-Q59 HydrophobicContact CE-CB 3.99Å; M29-Q59 HydrophobicContact CE-CG 4.47Å; M29-Q59 HydrophobicContact SD-CB 4.34Å; M29-Q59 HydrophobicContact SD-CG 4.48Å; M29-V62 HydrophobicContact CB-CG1 4.42Å; M29-V62 HydrophobicContact CE-CB 4.39Å; M29-V62 HydrophobicContact SD-CB 3.65Å; M29-V62 HydrophobicContact SD-CG1 3.89Å; M29-V62 HydrophobicContact SD-CG2 3.72Å; M29-S356 WeakPolarHBondContact CG-O 3.44Å; M29-M359 HydrophobicContact CE-CB 4.25Å; M29-S360 VanDerWaalsContact CA-OG 3.29Å; M29-S360 WeakPolarHBondContact CA-OG 3.45Å; M29-F363 HydrophobicContact CE-CD2 3.86Å
30P98.8Very high98.6Very high24 Ų2449.7 Ų49.716%0.15625%0.248CC..Hα-helixtrans-63.1-31.1-171.628.5-37000113E28 M33 K34 F357 H399 K402E28-P30 WeakPolarHBondContact O-CD 3.36Å; P30-M33 PolarHBondContact O-N 3.17Å; P30-K34 VanDerWaalsContact O-CB 3.3Å; P30-K34 WeakPolarHBondContact O-CB 3.48Å; P30-K34 PolarHBondContact O-N 2.85Å; P30-F357 HydrophobicContact CG-CE2 4.11Å; P30-H399 HydrophobicContact CG-CB 4.4Å; P30-K402 HydrophobicContact CB-CB 4.21Å; P30-K402 HydrophobicContact CG-CB 3.9Å; P30-K402 HydrophobicContact CG-CG 4.19Å
31G98.8Very high98.6Very high0 Ų052.7 Ų52.70%026%0.264CS..Hα-helixtrans-62.1-49.3176.300000112.7M29 K34 M35 S360 T364 H399M29-G31 VanDerWaalsContact C-N 3.27Å; M29-G31 PolarHBondContact O-N 3.38Å; G31-K34 WeakPolarHBondContact O-CB 3.31Å; G31-K34 PolarHBondContact O-N 3.33Å; G31-M35 WeakPolarHBondContact O-CG 3.49Å; G31-M35 PolarHBondContact O-N 3.15Å; G31-S360 PolarHBondContact N-OG 2.94Å; G31-S360 VanDerWaalsContact N-OG 3.15Å; G31-T364 VanDerWaalsContact CA-OG1 3.29Å; G31-T364 WeakPolarHBondContact CA-OG1 3.35Å; G31-H399 VanDerWaalsContact CA-CE1 3.5Å; G31-H399 WeakPolarHBondContact CA-CE1 3.36Å; G31-H399 PolarHBondContact N-NE2 3.44Å
32L98.9Very high98.6Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-64.8-41.5176.5-69.9-173.5000112M29 K34 M35 R36 V62 L63 T66 F363 T364 V367M29-L32 HydrophobicContact CB-CB 4.44Å; M29-L32 HydrophobicContact CE-CD1 3.46Å; M29-L32 VanDerWaalsContact CE-CD1 3.46Å; M29-L32 HydrophobicContact CE-CG 4.36Å; M29-L32 PolarHBondContact O-N 3.21Å; M29-L32 HydrophobicContact SD-CD1 4.27Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 3.23Å; L32-M35 WeakPolarHBondContact O-CB 3.2Å; L32-M35 PolarHBondContact O-N 2.93Å; L32-M35 VanDerWaalsContact O-N 3.13Å; L32-R36 PolarHBondContact O-N 3.15Å; L32-R36 VanDerWaalsContact O-N 3.07Å; L32-V62 HydrophobicContact CB-CG1 4.22Å; L32-V62 HydrophobicContact CD1-CB 4.08Å; L32-V62 HydrophobicContact CD1-CG1 3.66Å; L32-L63 HydrophobicContact CD1-CB 4.31Å; L32-T66 HydrophobicContact CD2-CG2 4.31Å; L32-F363 HydrophobicContact CD1-CB 3.93Å; L32-F363 HydrophobicContact CD1-CD2 4.5Å; L32-F363 HydrophobicContact CD2-CB 3.92Å; L32-F363 WeakPolarHBondContact CD2-O 3.49Å; L32-F363 HydrophobicContact CG-CB 4.23Å; L32-T364 PolarHBondContact N-OG1 2.9Å; L32-V367 HydrophobicContact CD2-CG2 3.87Å
33M98.9Very high98.5Very high52 Ų5260.5 Ų60.526%0.25631%0.306SS..Hα-helixtrans-60.8-39.1175.2-64.6-51.897.500111.2E26 M29 P30 M35 R36 E37 V62E26-M33 HydrophobicContact CB-CE 4.2Å; E26-M33 HydrophobicContact CB-SD 3.95Å; E26-M33 HydrophobicContact CG-CE 3.95Å; E26-M33 HydrophobicContact CG-SD 4.15Å; E26-M33 WeakPolarHBondContact O-CG 3.4Å; M29-M33 WeakPolarHBondContact O-CG 3.46Å; M29-M33 PolarHBondContact O-N 3.03Å; M29-M33 VanDerWaalsContact O-N 3.1Å; P30-M33 PolarHBondContact O-N 3.17Å; M33-M35 VanDerWaalsContact C-N 3.35Å; M33-M35 PolarHBondContact O-N 2.65Å; M33-R36 VanDerWaalsContact CE-CZ 3.48Å; M33-R36 WeakPolarHBondContact O-CB 3.45Å; M33-R36 PolarHBondContact O-N 3.23Å; M33-E37 PolarHBondContact O-N 2.97Å; M33-V62 HydrophobicContact CE-CG1 3.46Å; M33-V62 VanDerWaalsContact CE-CG1 3.46Å
34K98.7Very high98.5Very high70 Ų7058.2 Ų58.230%0.30429%0.292SS..Hα-helixtrans-65.3-36.7175.3-168.859.5176.2-178.60112.3P30 G31 L32 R36 E37 L38 A398P30-K34 VanDerWaalsContact O-CB 3.3Å; P30-K34 WeakPolarHBondContact O-CB 3.48Å; P30-K34 PolarHBondContact O-N 2.85Å; G31-K34 WeakPolarHBondContact O-CB 3.31Å; G31-K34 PolarHBondContact O-N 3.33Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 3.23Å; K34-R36 VanDerWaalsContact C-N 3.35Å; K34-E37 WeakPolarHBondContact CD-OE2 3.48Å; K34-E37 IonicContact NZ-OE1 2.73Å; K34-E37 PolarHBondContact NZ-OE1 3.11Å; K34-E37 IonicContact NZ-OE2 2.73Å; K34-E37 PolarHBondContact NZ-OE2 2.95Å; K34-E37 PolarHBondContact O-N 2.78Å; K34-L38 HydrophobicContact CD-CD1 4.41Å; K34-L38 HydrophobicContact CD-CG 4.29Å; K34-L38 HydrophobicContact CG-CD1 3.95Å; K34-L38 HydrophobicContact CG-CG 4.28Å; K34-L38 WeakPolarHBondContact O-CB 3.39Å; K34-L38 VanDerWaalsContact O-CG 3.3Å; K34-L38 WeakPolarHBondContact O-CG 3.27Å; K34-L38 PolarHBondContact O-N 2.9Å; K34-A398 HydrophobicContact CB-CB 4.31Å; K34-A398 HydrophobicContact CG-CB 4.36Å
35M98.7Very high98.6Very high0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-63.3-41.7174.2-64.1-54.610000111.7G31 L32 M33 E37 L38 Y39 T66 T364 V367 L368G31-M35 WeakPolarHBondContact O-CG 3.49Å; G31-M35 PolarHBondContact O-N 3.15Å; L32-M35 WeakPolarHBondContact O-CB 3.2Å; L32-M35 PolarHBondContact O-N 2.93Å; L32-M35 VanDerWaalsContact O-N 3.13Å; M33-M35 VanDerWaalsContact C-N 3.35Å; M33-M35 PolarHBondContact O-N 2.65Å; M35-E37 VanDerWaalsContact C-N 3.34Å; M35-E37 PolarHBondContact O-N 3.2Å; M35-L38 HydrophobicContact CE-CD1 4.15Å; M35-L38 PolarHBondContact O-N 3.38Å; M35-Y39 HydrophobicContact CB-CD2 4.46Å; M35-Y39 WeakPolarHBondContact O-CB 3.37Å; M35-Y39 PolarHBondContact O-N 3.49Å; M35-Y39 HydrophobicContact SD-CD2 4.03Å; M35-Y39 HydrophobicContact SD-CE2 3.7Å; M35-T66 HydrophobicContact CB-CG2 4.11Å; M35-T364 HydrophobicContact CE-CG2 3.95Å; M35-T364 HydrophobicContact CG-CG2 3.86Å; M35-T364 HydrophobicContact SD-CG2 4Å; M35-V367 HydrophobicContact CB-CG1 4.09Å; M35-V367 HydrophobicContact CG-CB 4.42Å; M35-V367 HydrophobicContact CG-CG1 4.01Å; M35-L368 HydrophobicContact SD-CD2 3.77Å; M35-L368 HydrophobicContact SD-CG 4.08Å
36R98.7Very high98.6Very high53 Ų5359.9 Ų59.920%0.229%0.294CS..Hα-helixtrans-61.4-43.1174.8-63.3-178-173.3-176.61.8111.6E26 L32 M33 K34 G40 V62 E65 T66 A69E26-R36 IonicContact OE1-CZ 3.29Å; E26-R36 IonicContact OE1-NH1 2.93Å; E26-R36 PolarHBondContact OE1-NH1 2.77Å; E26-R36 IonicContact OE1-NH2 2.92Å; E26-R36 PolarHBondContact OE1-NH2 3.24Å; L32-R36 PolarHBondContact O-N 3.15Å; L32-R36 VanDerWaalsContact O-N 3.07Å; M33-R36 VanDerWaalsContact CE-CZ 3.48Å; M33-R36 WeakPolarHBondContact O-CB 3.45Å; M33-R36 PolarHBondContact O-N 3.23Å; K34-R36 VanDerWaalsContact C-N 3.35Å; R36-G40 VanDerWaalsContact O-CA 3.26Å; R36-G40 WeakPolarHBondContact O-CA 3.41Å; R36-G40 PolarHBondContact O-N 3.31Å; R36-V62 PolarHBondContact NH2-O 3.32Å; R36-E65 VanDerWaalsContact NH2-CB 3.26Å; R36-T66 HydrophobicContact CG-CG2 3.81Å; R36-T66 PolarHBondContact NE-OG1 3.17Å; R36-T66 PolarHBondContact NH2-OG1 3.11Å; R36-A69 HydrophobicContact CG-CB 4.31Å
37E98.5Very high98.5Very high130 Ų13059.9 Ų59.961%0.60730%0.304SS*.Hα-helixtrans-61.6-50.3176.5-172.5-161.2143.900111.9M33 K34 M35M33-E37 PolarHBondContact O-N 2.97Å; K34-E37 WeakPolarHBondContact CD-OE2 3.48Å; K34-E37 IonicContact NZ-OE1 2.73Å; K34-E37 PolarHBondContact NZ-OE1 3.11Å; K34-E37 IonicContact NZ-OE2 2.73Å; K34-E37 PolarHBondContact NZ-OE2 2.95Å; K34-E37 PolarHBondContact O-N 2.78Å; M35-E37 VanDerWaalsContact C-N 3.34Å; M35-E37 PolarHBondContact O-N 3.2Å
38L97.8Very high98.5Very high77 Ų7754.7 Ų54.740%0.40328%0.276SS..Hα-helixtrans-71.5-38-174.9-69.3175.4000113.1K34 M35K34-L38 HydrophobicContact CD-CD1 4.41Å; K34-L38 HydrophobicContact CD-CG 4.29Å; K34-L38 HydrophobicContact CG-CD1 3.95Å; K34-L38 HydrophobicContact CG-CG 4.28Å; K34-L38 WeakPolarHBondContact O-CB 3.39Å; K34-L38 VanDerWaalsContact O-CG 3.3Å; K34-L38 WeakPolarHBondContact O-CG 3.27Å; K34-L38 PolarHBondContact O-N 2.9Å; M35-L38 HydrophobicContact CE-CD1 4.15Å; M35-L38 PolarHBondContact O-N 3.38Å
39Y98.3Very high98.5Very high63 Ų6353.9 Ų53.925%0.24727%0.27CS..Hα-helixtrans-120.2-7-166.2-58.2-61000114.7M35 Q41 S42 K43 P44 L368 I371M35-Y39 HydrophobicContact CB-CD2 4.46Å; M35-Y39 WeakPolarHBondContact O-CB 3.37Å; M35-Y39 PolarHBondContact O-N 3.49Å; M35-Y39 HydrophobicContact SD-CD2 4.03Å; M35-Y39 HydrophobicContact SD-CE2 3.7Å; Y39-Q41 VanDerWaalsContact C-N 3.27Å; Y39-Q41 PolarHBondContact O-N 2.91Å; Y39-S42 PolarHBondContact O-N 3.41Å; Y39-S42 PolarHBondContact O-OG 3.27Å; Y39-K43 PolarHBondContact O-N 3.29Å; Y39-P44 HydrophobicContact CG-CG 4.42Å; Y39-P44 WeakPolarHBondContact O-CD 3.36Å; Y39-L368 HydrophobicContact CE2-CD2 4.34Å; Y39-I371 HydrophobicContact CD2-CD1 3.99Å; Y39-I371 HydrophobicContact CE2-CD1 4.22Å; Y39-I371 HydrophobicContact CG-CD1 4.35Å
40G97.9Very high98.5Very high14 Ų1453.9 Ų53.914%0.14427%0.27CS..THydrogen-bonded Turntrans-63.4-30.8-176.800000114.2R36 K43R36-G40 VanDerWaalsContact O-CA 3.26Å; R36-G40 WeakPolarHBondContact O-CA 3.41Å; R36-G40 PolarHBondContact O-N 3.31Å; G40-K43 VanDerWaalsContact O-CG 3.29Å; G40-K43 WeakPolarHBondContact O-CG 3.4Å; G40-K43 PolarHBondContact O-NZ 2.96Å
41Q98Very high98.6Very high184 Ų18452.7 Ų52.786%0.8626%0.263SS*.THydrogen-bonded Turntrans-78.1-44177.7-66.8-62.1-23.500112.6Y39 K43Y39-Q41 VanDerWaalsContact C-N 3.27Å; Y39-Q41 PolarHBondContact O-N 2.91Å; Q41-K43 VanDerWaalsContact C-N 3.3Å; Q41-K43 PolarHBondContact O-N 3.16Å
42S98.4Very high98.6Very high83 Ų8352.7 Ų52.758%0.5826%0.263SS*.THydrogen-bonded Turntrans-75-21.1-178.856.80000113Y39Y39-S42 PolarHBondContact O-N 3.41Å; Y39-S42 PolarHBondContact O-OG 3.27Å
43K98.6Very high98.6Very high96 Ų9652.7 Ų52.742%0.41726%0.263SS..  trans49.559.8179.4-61.8-168.7179.3-58.50112.5Y39 G40 Q41 L45 K46 A69 L70Y39-K43 PolarHBondContact O-N 3.29Å; G40-K43 VanDerWaalsContact O-CG 3.29Å; G40-K43 WeakPolarHBondContact O-CG 3.4Å; G40-K43 PolarHBondContact O-NZ 2.96Å; Q41-K43 VanDerWaalsContact C-N 3.3Å; Q41-K43 PolarHBondContact O-N 3.16Å; K43-L45 PolarHBondContact O-N 3.27Å; K43-L45 VanDerWaalsContact O-N 3.12Å; K43-K46 HydrophobicContact CB-CB 4.41Å; K43-K46 VanDerWaalsContact O-CB 3.31Å; K43-K46 WeakPolarHBondContact O-CB 3.35Å; K43-K46 PolarHBondContact O-N 3.45Å; K43-A69 PolarHBondContact NZ-O 2.97Å; K43-A69 VanDerWaalsContact NZ-O 3.07Å; K43-L70 CarbonylContact C-O 3.51Å; K43-L70 WeakPolarHBondContact CA-O 3.35Å
44P98.7Very high98.5Very high28 Ų2850.3 Ų50.318%0.18225%0.251CS..THydrogen-bonded Turntrans-61.8-25.8-172.827.5-36.2000112.9Y39 K46 L70 I371 W374 T375Y39-P44 HydrophobicContact CG-CG 4.42Å; Y39-P44 WeakPolarHBondContact O-CD 3.36Å; P44-K46 VanDerWaalsContact C-N 3.31Å; P44-L70 HydrophobicContact CG-CB 4.46Å; P44-L70 HydrophobicContact CG-CD2 4.28Å; P44-L70 HydrophobicContact CG-CG 4.24Å; P44-I371 HydrophobicContact CB-CG1 4.5Å; P44-I371 HydrophobicContact CB-CG2 4.38Å; P44-I371 HydrophobicContact CG-CD1 4.16Å; P44-I371 HydrophobicContact CG-CG1 4.08Å; P44-W374 PolarHBondContact O-NE1 3.12Å; P44-T375 HydrophobicContact CB-CG2 4.2Å
45L98.8Very high98.5Very high0 Ų047.8 Ų47.80%024%0.24CC..THydrogen-bonded Turntrans-90.110.9-180-59.6177.7000113.2K43 G47 A48 I50 L67 L70 G71 A72 Q370 I371 W374K43-L45 PolarHBondContact O-N 3.27Å; K43-L45 VanDerWaalsContact O-N 3.12Å; L45-G47 PolarHBondContact O-N 3.09Å; L45-G47 VanDerWaalsContact O-N 3.14Å; L45-A48 HydrophobicContact CB-CB 4.21Å; L45-A48 WeakPolarHBondContact O-CB 3.45Å; L45-A48 PolarHBondContact O-N 3.15Å; L45-I50 HydrophobicContact CD1-CD1 4.33Å; L45-L67 HydrophobicContact CD1-CD2 3.71Å; L45-L70 HydrophobicContact CB-CB 4.4Å; L45-L70 HydrophobicContact CD1-CB 3.95Å; L45-L70 HydrophobicContact CD1-CD2 4.35Å; L45-L70 HydrophobicContact CG-CB 4.2Å; L45-L70 PolarHBondContact N-O 3.35Å; L45-G71 CarbonylContact O-C 3.55Å; L45-A72 HydrophobicContact CB-CB 3.93Å; L45-A72 HydrophobicContact CD1-CB 4.31Å; L45-Q370 HydrophobicContact CD2-CB 4.32Å; L45-I371 HydrophobicContact CD2-CG1 3.98Å; L45-I371 HydrophobicContact CG-CG1 4.2Å; L45-W374 HydrophobicContact CD2-CB 4Å; L45-W374 HydrophobicContact CD2-CG 4.24Å
46K98.7Very high98.6Very high163 Ų16347.8 Ų47.871%0.70924%0.24SC*.THydrogen-bonded Turntrans-54.8123.2175.6-173.9177.9179.6-179.20110.5K43 P44 G71 W374K43-K46 HydrophobicContact CB-CB 4.41Å; K43-K46 VanDerWaalsContact O-CB 3.31Å; K43-K46 WeakPolarHBondContact O-CB 3.35Å; K43-K46 PolarHBondContact O-N 3.45Å; P44-K46 VanDerWaalsContact C-N 3.31Å; K46-G71 WeakPolarHBondContact CA-O 3.4Å; K46-W374 PolarHBondContact O-NE1 3.41Å
47G98.1Very high98.6Very high39 Ų3945.6 Ų45.640%0.40223%0.233SC..THydrogen-bonded Turntrans89.4-7.1-178.100000114.8L45 N127 W374L45-G47 PolarHBondContact O-N 3.09Å; L45-G47 VanDerWaalsContact O-N 3.14Å; G47-N127 PolarHBondContact O-ND2 3.48Å; G47-W374 VanDerWaalsContact O-CH2 3.25Å; G47-W374 WeakPolarHBondContact O-CH2 3.49Å
48A98.7Very high98.6Very high0 Ų040.2 Ų40.20%021%0.208CC..  trans-69.6136.1168.400000109.3L45 I50 A72 E73 M128 W374L45-A48 HydrophobicContact CB-CB 4.21Å; L45-A48 WeakPolarHBondContact O-CB 3.45Å; L45-A48 PolarHBondContact O-N 3.15Å; A48-I50 HydrophobicContact CB-CD1 4.45Å; A48-I50 HydrophobicContact CB-CG1 4.13Å; A48-A72 HydrophobicContact CB-CB 4.24Å; A48-E73 PolarHBondContact O-N 3.07Å; A48-M128 HydrophobicContact CB-CG 4.33Å; A48-W374 HydrophobicContact CB-CD2 3.82Å; A48-W374 HydrophobicContact CB-CE3 4.01Å; A48-W374 HydrophobicContact CB-CG 4.26Å; A48-W374 HydrophobicContact CB-CZ2 4.32Å; A48-W374 HydrophobicContact CB-CZ3 4.35Å; A48-W374 VanDerWaalsContact N-CZ2 3.32Å
49R98.8Very high98.6Very high55 Ų5537.1 Ų37.121%0.20819%0.192CC..EExtended strand (participates in β ladder)trans-121.589.9174.9-69.2-174-55.9-81.9-2.4106.8E73 F120 P125 N127 M128R49-E73 CarbonylContact C-O 3.58Å; R49-E73 WeakPolarHBondContact CA-O 3.32Å; R49-E73 HydrophobicContact CG-CB 4.27Å; R49-F120 VanDerWaalsContact C-CZ 3.47Å; R49-F120 HydrophobicContact CB-CD1 4Å; R49-F120 HydrophobicContact CB-CD2 3.91Å; R49-F120 HydrophobicContact CB-CE1 3.81Å; R49-F120 HydrophobicContact CB-CE2 3.75Å; R49-F120 HydrophobicContact CB-CG 4.07Å; R49-F120 HydrophobicContact CB-CZ 3.7Å; R49-F120 HydrophobicContact CG-CD1 3.98Å; R49-F120 HydrophobicContact CG-CD2 4.41Å; R49-F120 HydrophobicContact CG-CE1 4.21Å; R49-F120 HydrophobicContact CG-CG 4.1Å; R49-P125 VanDerWaalsContact CZ-O 3.32Å; R49-P125 PolarHBondContact NE-O 3.1Å; R49-P125 PolarHBondContact NH2-O 3.14Å; R49-N127 VanDerWaalsContact CZ-ND2 3.32Å; R49-N127 PolarHBondContact N-OD1 2.78Å; R49-N127 PolarHBondContact NH1-ND2 3.08Å; R49-N127 PolarHBondContact NH2-ND2 3.33Å; R49-N127 PolarHBondContact O-N 3.41Å; R49-N127 PolarHBondContact O-OD1 3.47Å; R49-M128 PolarHBondContact O-N 3.4Å
50I98.9Very high98.6Very high0 Ų034.2 Ų34.20%018%0.18CC..EExtended strand (participates in β ladder)trans-90.7115.2-170.5-55.5174.9000108.7L45 A48 L67 A72 E73 V74 Q75 M128 L130 Q370L45-I50 HydrophobicContact CD1-CD1 4.33Å; A48-I50 HydrophobicContact CB-CD1 4.45Å; A48-I50 HydrophobicContact CB-CG1 4.13Å; I50-L67 HydrophobicContact CD1-CB 4.38Å; I50-L67 HydrophobicContact CD1-CD1 4.19Å; I50-L67 HydrophobicContact CD1-CD2 3.96Å; I50-L67 HydrophobicContact CD1-CG 4.41Å; I50-A72 HydrophobicContact CD1-CB 3.62Å; I50-A72 HydrophobicContact CG1-CB 4.15Å; I50-E73 PolarHBondContact N-O 3.49Å; I50-V74 HydrophobicContact CB-CG2 4.49Å; I50-V74 WeakPolarHBondContact O-CA 3.47Å; I50-Q75 PolarHBondContact O-N 3.18Å; I50-M128 HydrophobicContact CB-CB 4.42Å; I50-M128 HydrophobicContact CG1-CB 3.86Å; I50-M128 HydrophobicContact CG1-CG 4.48Å; I50-L130 HydrophobicContact CG2-CB 3.97Å; I50-Q370 HydrophobicContact CD1-CG 4.48Å
51A98.9Very high98.7Very high0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-88.4118.5163.900000108.4L126 M128 L130 L136A51-L126 HydrophobicContact CB-CB 3.92Å; A51-L126 HydrophobicContact CB-CD1 3.59Å; A51-L126 HydrophobicContact CB-CG 4.39Å; A51-M128 PolarHBondContact N-O 3.29Å; A51-M128 VanDerWaalsContact N-O 3.1Å; A51-L130 PolarHBondContact O-N 3.06Å; A51-L136 HydrophobicContact CB-CD2 3.77Å; A51-L136 WeakPolarHBondContact O-CD2 3.44Å
52G98.9Very high98.7Very high0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-101.4131.8176.700000112.2Q75 S77 L130G52-Q75 PolarHBondContact N-O 2.85Å; G52-S77 PolarHBondContact O-N 2.94Å; G52-S77 PolarHBondContact O-OG 3.08Å; G52-L130 WeakPolarHBondContact CA-O 3.15Å
53C98.8Very high98.8Very high0 Ų020.8 Ų20.80%011%0.105CC..EExtended strand (participates in β ladder)trans-124.691.2166.6-170.30000108S77 L130 D132 L136C53-S77 WeakPolarHBondContact CA-O 3.45Å; C53-L130 PolarHBondContact N-O 2.85Å; C53-D132 PolarHBondContact O-N 3.47Å; C53-L136 HydrophobicContact CB-CB 3.59Å; C53-L136 HydrophobicContact CB-CD2 4.04Å; C53-L136 HydrophobicContact CB-CG 4.46Å
54L98.8Very high98.8Very high2 Ų216.2 Ų16.21%0.019%0.085CC..SBendtrans-156143.8-175.5-165.3151.8000108.1M56 T60 W76 S77 L130 D132 E157 F363L54-M56 PolarHBondContact O-N 3.34Å; L54-M56 VanDerWaalsContact O-N 3.17Å; L54-T60 HydrophobicContact CD2-CG2 3.98Å; L54-T60 VanDerWaalsContact CD2-OG1 3.25Å; L54-T60 WeakPolarHBondContact CD2-OG1 3.29Å; L54-W76 HydrophobicContact CB-CZ2 3.89Å; L54-W76 PolarHBondContact O-NE1 3.04Å; L54-S77 PolarHBondContact N-O 3.32Å; L54-S77 VanDerWaalsContact N-O 3.12Å; L54-S77 VanDerWaalsContact O-O 3.14Å; L54-L130 HydrophobicContact CB-CD2 4.31Å; L54-L130 HydrophobicContact CD1-CD2 3.66Å; L54-D132 HydrophobicContact CB-CB 4.1Å; L54-D132 HydrophobicContact CD1-CB 3.96Å; L54-D132 HydrophobicContact CG-CB 3.7Å; L54-E157 HydrophobicContact CD1-CB 4.44Å; L54-E157 HydrophobicContact CD1-CG 4.45Å; L54-F363 HydrophobicContact CD1-CE1 3.94Å; L54-F363 HydrophobicContact CD1-CZ 4.49Å; L54-F363 HydrophobicContact CD2-CE1 3.95Å; L54-F363 HydrophobicContact CD2-CZ 3.69Å
55H98.7Very high98.8Very high17 Ų1716.2 Ų16.28%0.0798%0.082CC..  trans-34118.7177.1-56.7-57.1000113.3T57 T60 C79 S83 D132 L348H55-T57 VanDerWaalsContact C-N 3.34Å; H55-T57 HydrophobicContact CB-CG2 4Å; H55-T57 PolarHBondContact O-N 3.38Å; H55-T60 WeakPolarHBondContact O-CB 3.29Å; H55-T60 WeakPolarHBondContact O-CG2 3.21Å; H55-T60 PolarHBondContact O-OG1 2.78Å; H55-C79 PolarHBondContact CE1-SG 3.13Å; H55-C79 PolarHBondContact N-SG 3.38Å; H55-C79 PolarHBondContact ND1-SG 2.73Å; H55-C79 VanDerWaalsContact ND1-SG 3.39Å; H55-S83 WeakPolarHBondContact ND1-CB 3.37Å; H55-S83 PolarHBondContact ND1-OG 3.15Å; H55-D132 IonicContact CD2-OD2 2.62Å; H55-D132 IonicContact NE2-OD2 3.44Å; H55-L348 HydrophobicContact CB-CD2 4.37Å; H55-L348 VanDerWaalsContact NE2-CD1 3.32Å; H55-L348 WeakPolarHBondContact NE2-CD1 3.35Å
56M98.8Very high98.8Very high0 Ų016.2 Ų16.20%08%0.082CC..  trans-82.477.1-176.2-174.563.1-106.800111.5L54 A61 I64 W76 T84 Q85 A88 A89 I92 V99 A101L54-M56 PolarHBondContact O-N 3.34Å; L54-M56 VanDerWaalsContact O-N 3.17Å; M56-A61 HydrophobicContact CE-CB 4.11Å; M56-I64 HydrophobicContact CE-CD1 3.93Å; M56-I64 HydrophobicContact SD-CD1 3.91Å; M56-W76 HydrophobicContact SD-CG 4.43Å; M56-T84 HydrophobicContact CB-CG2 3.98Å; M56-T84 HydrophobicContact CG-CG2 4.19Å; M56-T84 WeakPolarHBondContact O-CA 3.22Å; M56-Q85 PolarHBondContact O-N 3.48Å; M56-A88 HydrophobicContact CE-CB 4.4Å; M56-A89 HydrophobicContact CG-CB 3.76Å; M56-I92 HydrophobicContact CE-CG1 4.05Å; M56-V99 HydrophobicContact CG-CG1 3.99Å; M56-V99 HydrophobicContact SD-CG1 3.84Å; M56-V99 HydrophobicContact SD-CG2 4.38Å; M56-A101 HydrophobicContact CB-CB 3.77Å; M56-A101 HydrophobicContact CG-CB 3.91Å
57T98.8Very high98.8Very high6 Ų68.4 Ų8.44%0.0375%0.048CC..SBendtrans-108.8176.4-176.768.60000113H55 Q59 T60 A61 Q85 A88 L348H55-T57 VanDerWaalsContact C-N 3.34Å; H55-T57 HydrophobicContact CB-CG2 4Å; H55-T57 PolarHBondContact O-N 3.38Å; T57-Q59 VanDerWaalsContact C-N 3.27Å; T57-Q59 PolarHBondContact O-N 3.05Å; T57-Q59 PolarHBondContact OG1-N 2.69Å; T57-Q59 PolarHBondContact OG1-OE1 3.44Å; T57-Q59 VanDerWaalsContact OG1-OE1 3.04Å; T57-T60 PolarHBondContact O-N 2.87Å; T57-T60 PolarHBondContact OG1-N 2.78Å; T57-T60 PolarHBondContact OG1-OG1 3.19Å; T57-A61 WeakPolarHBondContact O-CB 3.23Å; T57-A61 PolarHBondContact O-N 3.41Å; T57-Q85 HydrophobicContact CG2-CG 4.39Å; T57-A88 VanDerWaalsContact C-CB 3.46Å; T57-L348 HydrophobicContact CG2-CD2 4.12Å
58L98.4Very high98.8Very high18 Ų188.9 Ų8.99%0.0944%0.043CC..Hα-helixtrans-57.8-38.7170-71.4168.7000112.7A21 I22 A61 V62 Q85 A88A21-L58 HydrophobicContact CB-CD1 3.69Å; A21-L58 HydrophobicContact CB-CD2 3.46Å; A21-L58 VanDerWaalsContact CB-CD2 3.46Å; A21-L58 HydrophobicContact CB-CG 4.23Å; I22-L58 HydrophobicContact CG1-CD2 3.82Å; L58-A61 WeakPolarHBondContact O-CB 3.47Å; L58-A61 PolarHBondContact O-N 3.36Å; L58-V62 PolarHBondContact O-N 2.9Å; L58-Q85 VanDerWaalsContact CG-OE1 3.26Å; L58-A88 HydrophobicContact CD2-CB 3.9Å; L58-A88 HydrophobicContact CG-CB 4.15Å
59Q98.8Very high98.8Very high12 Ų1210.3 Ų10.36%0.0566%0.056CC..Hα-helixtrans-66.9-43.4179-62.275.420.600110.2M29 T57 A61 V62 L63 S356 M359 F363M29-Q59 HydrophobicContact CE-CB 3.99Å; M29-Q59 HydrophobicContact CE-CG 4.47Å; M29-Q59 HydrophobicContact SD-CB 4.34Å; M29-Q59 HydrophobicContact SD-CG 4.48Å; T57-Q59 VanDerWaalsContact C-N 3.27Å; T57-Q59 PolarHBondContact O-N 3.05Å; T57-Q59 PolarHBondContact OG1-N 2.69Å; T57-Q59 PolarHBondContact OG1-OE1 3.44Å; T57-Q59 VanDerWaalsContact OG1-OE1 3.04Å; Q59-A61 VanDerWaalsContact C-N 3.29Å; Q59-A61 PolarHBondContact O-N 3.42Å; Q59-V62 WeakPolarHBondContact O-CB 3.38Å; Q59-V62 PolarHBondContact O-N 2.85Å; Q59-V62 VanDerWaalsContact O-N 3.15Å; Q59-L63 PolarHBondContact O-N 3.36Å; Q59-L63 VanDerWaalsContact O-N 3.15Å; Q59-S356 PolarHBondContact NE2-OG 3.09Å; Q59-M359 HydrophobicContact CB-CB 3.88Å; Q59-M359 HydrophobicContact CB-CG 4.15Å; Q59-M359 HydrophobicContact CG-CB 3.88Å; Q59-M359 HydrophobicContact CG-CG 3.94Å; Q59-F363 VanDerWaalsContact C-CE2 3.49Å; Q59-F363 HydrophobicContact CB-CD2 4.35Å; Q59-F363 HydrophobicContact CB-CE2 3.7Å
60T98.9Very high98.8Very high1 Ų17.7 Ų7.71%0.0065%0.046CC..Hα-helixtrans-67-33.4177.8-55.80000111.4L54 H55 T57 V62 L63 I64 W76L54-T60 HydrophobicContact CD2-CG2 3.98Å; L54-T60 VanDerWaalsContact CD2-OG1 3.25Å; L54-T60 WeakPolarHBondContact CD2-OG1 3.29Å; H55-T60 WeakPolarHBondContact O-CB 3.29Å; H55-T60 WeakPolarHBondContact O-CG2 3.21Å; H55-T60 PolarHBondContact O-OG1 2.78Å; T57-T60 PolarHBondContact O-N 2.87Å; T57-T60 PolarHBondContact OG1-N 2.78Å; T57-T60 PolarHBondContact OG1-OG1 3.19Å; T60-V62 VanDerWaalsContact C-N 3.31Å; T60-V62 PolarHBondContact O-N 2.9Å; T60-L63 WeakPolarHBondContact O-CB 3.35Å; T60-L63 PolarHBondContact O-N 3.19Å; T60-L63 VanDerWaalsContact O-N 3.16Å; T60-I64 HydrophobicContact CG2-CD1 4.06Å; T60-I64 HydrophobicContact CG2-CG1 4.38Å; T60-I64 VanDerWaalsContact O-CG1 3.3Å; T60-I64 WeakPolarHBondContact O-CG1 3.3Å; T60-I64 PolarHBondContact O-N 2.86Å; T60-W76 HydrophobicContact CG2-CZ2 3.48Å; T60-W76 VanDerWaalsContact CG2-CZ2 3.48Å
61A98.9Very high98.8Very high0 Ų08.7 Ų8.70%06%0.055CC..Hα-helixtrans-57.9-42.2171.200000112I22 M56 T57 L58 Q59 I64 E65 A88 I92I22-A61 HydrophobicContact CD1-CB 3.62Å; I22-A61 HydrophobicContact CG1-CB 3.85Å; M56-A61 HydrophobicContact CE-CB 4.11Å; T57-A61 WeakPolarHBondContact O-CB 3.23Å; T57-A61 PolarHBondContact O-N 3.41Å; L58-A61 WeakPolarHBondContact O-CB 3.47Å; L58-A61 PolarHBondContact O-N 3.36Å; Q59-A61 VanDerWaalsContact C-N 3.29Å; Q59-A61 PolarHBondContact O-N 3.42Å; A61-I64 PolarHBondContact O-N 2.79Å; A61-E65 PolarHBondContact O-N 3.48Å; A61-A88 HydrophobicContact CB-CB 4.47Å; A61-I92 HydrophobicContact CB-CD1 3.64Å; A61-I92 HydrophobicContact CB-CG1 3.51Å
62V98.9Very high98.8Very high0 Ų09.1 Ų9.10%06%0.059CC..Hα-helixtrans-65.8-38174.9-175.70000111.8I22 A25 E26 M29 L32 M33 R36 L58 Q59 T60 T66I22-V62 HydrophobicContact CG2-CG2 4.1Å; A25-V62 HydrophobicContact CB-CG2 4Å; E26-V62 HydrophobicContact CG-CG1 4Å; E26-V62 HydrophobicContact CG-CG2 3.89Å; M29-V62 HydrophobicContact CB-CG1 4.42Å; M29-V62 HydrophobicContact CE-CB 4.39Å; M29-V62 HydrophobicContact SD-CB 3.65Å; M29-V62 HydrophobicContact SD-CG1 3.89Å; M29-V62 HydrophobicContact SD-CG2 3.72Å; L32-V62 HydrophobicContact CB-CG1 4.22Å; L32-V62 HydrophobicContact CD1-CB 4.08Å; L32-V62 HydrophobicContact CD1-CG1 3.66Å; M33-V62 HydrophobicContact CE-CG1 3.46Å; M33-V62 VanDerWaalsContact CE-CG1 3.46Å; R36-V62 PolarHBondContact NH2-O 3.32Å; L58-V62 PolarHBondContact O-N 2.9Å; Q59-V62 WeakPolarHBondContact O-CB 3.38Å; Q59-V62 PolarHBondContact O-N 2.85Å; Q59-V62 VanDerWaalsContact O-N 3.15Å; T60-V62 VanDerWaalsContact C-N 3.31Å; T60-V62 PolarHBondContact O-N 2.9Å; V62-T66 WeakPolarHBondContact O-CB 3.27Å; V62-T66 PolarHBondContact O-N 2.89Å; V62-T66 PolarHBondContact O-OG1 3.3Å
63L98.9Very high98.8Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-61-51.2172.9167.461.4000111.2L32 Q59 T60 E65 T66 L67 W76 L130 F363 Q366 V367L32-L63 HydrophobicContact CD1-CB 4.31Å; Q59-L63 PolarHBondContact O-N 3.36Å; Q59-L63 VanDerWaalsContact O-N 3.15Å; T60-L63 WeakPolarHBondContact O-CB 3.35Å; T60-L63 PolarHBondContact O-N 3.19Å; T60-L63 VanDerWaalsContact O-N 3.16Å; L63-E65 VanDerWaalsContact C-N 3.34Å; L63-E65 PolarHBondContact O-N 2.7Å; L63-T66 WeakPolarHBondContact O-CA 3.4Å; L63-T66 WeakPolarHBondContact O-CB 3.34Å; L63-T66 PolarHBondContact O-N 2.88Å; L63-L67 HydrophobicContact CD1-CD1 4.04Å; L63-L67 HydrophobicContact CD1-CD2 4.44Å; L63-L67 HydrophobicContact CD1-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.19Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.01Å; L63-W76 HydrophobicContact CD2-CH2 4Å; L63-W76 HydrophobicContact CD2-CZ2 4.25Å; L63-W76 HydrophobicContact CG-CH2 4.36Å; L63-L130 HydrophobicContact CD2-CD1 4.15Å; L63-L130 HydrophobicContact CD2-CD2 4.48Å; L63-F363 HydrophobicContact CB-CB 4.14Å; L63-F363 HydrophobicContact CB-CD2 3.78Å; L63-F363 HydrophobicContact CB-CE2 4.39Å; L63-F363 HydrophobicContact CB-CG 4.05Å; L63-F363 HydrophobicContact CD1-CB 4.15Å; L63-F363 HydrophobicContact CD2-CB 4.24Å; L63-F363 HydrophobicContact CD2-CD1 3.84Å; L63-F363 HydrophobicContact CD2-CD2 4.15Å; L63-F363 HydrophobicContact CD2-CE1 4.18Å; L63-F363 HydrophobicContact CD2-CE2 4.47Å; L63-F363 HydrophobicContact CD2-CG 3.82Å; L63-F363 HydrophobicContact CD2-CZ 4.48Å; L63-F363 HydrophobicContact CG-CB 4.4Å; L63-F363 HydrophobicContact CG-CG 4.38Å; L63-Q366 HydrophobicContact CD1-CB 4.38Å; L63-V367 HydrophobicContact CD1-CG2 3.61Å
64I98.9Very high98.8Very high0 Ų014.4 Ų14.40%08%0.084CC..Hα-helixtrans-55.1-49.5178.3-71.1164.5000110.4M56 T60 A61 T66 L67 T68 V74 W76 I92 V97M56-I64 HydrophobicContact CE-CD1 3.93Å; M56-I64 HydrophobicContact SD-CD1 3.91Å; T60-I64 HydrophobicContact CG2-CD1 4.06Å; T60-I64 HydrophobicContact CG2-CG1 4.38Å; T60-I64 VanDerWaalsContact O-CG1 3.3Å; T60-I64 WeakPolarHBondContact O-CG1 3.3Å; T60-I64 PolarHBondContact O-N 2.86Å; A61-I64 PolarHBondContact O-N 2.79Å; I64-T66 PolarHBondContact O-N 2.73Å; I64-L67 PolarHBondContact O-N 3.2Å; I64-T68 WeakPolarHBondContact O-CG2 3.23Å; I64-T68 PolarHBondContact O-N 3.12Å; I64-T68 PolarHBondContact O-OG1 2.94Å; I64-V74 HydrophobicContact CG1-CG1 4.49Å; I64-V74 HydrophobicContact CG2-CG1 4.18Å; I64-W76 HydrophobicContact CD1-CB 4.1Å; I64-W76 HydrophobicContact CD1-CD2 3.56Å; I64-W76 HydrophobicContact CD1-CE3 3.93Å; I64-W76 HydrophobicContact CD1-CG 3.65Å; I64-W76 HydrophobicContact CG1-CD2 3.68Å; I64-W76 HydrophobicContact CG1-CE3 3.54Å; I64-W76 HydrophobicContact CG1-CG 4.3Å; I64-W76 HydrophobicContact CG1-CH2 4.02Å; I64-W76 HydrophobicContact CG1-CZ2 4.19Å; I64-W76 HydrophobicContact CG1-CZ3 3.71Å; I64-I92 HydrophobicContact CB-CD1 4.42Å; I64-I92 HydrophobicContact CD1-CG1 4.48Å; I64-I92 HydrophobicContact CD1-CG2 4.29Å; I64-I92 HydrophobicContact CG2-CD1 4.25Å; I64-I92 HydrophobicContact CG2-CG2 3.96Å; I64-V97 HydrophobicContact CG2-CG1 3.9Å; I64-V97 HydrophobicContact CG2-CG2 4.33Å
65E98.9Very high98.8Very high27 Ų2714.5 Ų14.513%0.1269%0.085CC..Hα-helixtrans-66.5-25.6178.1-72.4-167.9146.600113.2R19 R36 A61 L63 T68 A69 I92R19-E65 IonicContact CZ-OE1 3.44Å; R19-E65 VanDerWaalsContact CZ-OE1 3.24Å; R19-E65 IonicContact CZ-OE2 3.28Å; R19-E65 VanDerWaalsContact NH1-CD 3.33Å; R19-E65 IonicContact NH1-OE1 2.65Å; R19-E65 PolarHBondContact NH1-OE1 3.2Å; R19-E65 IonicContact NH1-OE2 2.75Å; R19-E65 PolarHBondContact NH1-OE2 3.2Å; R19-E65 IonicContact NH2-OE1 3.16Å; R19-E65 PolarHBondContact NH2-OE1 2.7Å; R36-E65 VanDerWaalsContact NH2-CB 3.26Å; A61-E65 PolarHBondContact O-N 3.48Å; L63-E65 VanDerWaalsContact C-N 3.34Å; L63-E65 PolarHBondContact O-N 2.7Å; E65-T68 WeakPolarHBondContact CA-OG1 3.18Å; E65-T68 PolarHBondContact O-OG1 3.06Å; E65-T68 VanDerWaalsContact O-OG1 3.08Å; E65-A69 WeakPolarHBondContact O-CB 3.38Å; E65-A69 PolarHBondContact O-N 3.5Å; E65-I92 HydrophobicContact CG-CD1 3.81Å
66T98.9Very high98.8Very high0 Ų013.7 Ų13.70%08%0.081CC..Hα-helixtrans-71.9-45.6172.5-57.50000111.1L32 M35 R36 V62 L63 I64 T68 A69 L70 V367L32-T66 HydrophobicContact CD2-CG2 4.31Å; M35-T66 HydrophobicContact CB-CG2 4.11Å; R36-T66 HydrophobicContact CG-CG2 3.81Å; R36-T66 PolarHBondContact NE-OG1 3.17Å; R36-T66 PolarHBondContact NH2-OG1 3.11Å; V62-T66 WeakPolarHBondContact O-CB 3.27Å; V62-T66 PolarHBondContact O-N 2.89Å; V62-T66 PolarHBondContact O-OG1 3.3Å; L63-T66 WeakPolarHBondContact O-CA 3.4Å; L63-T66 WeakPolarHBondContact O-CB 3.34Å; L63-T66 PolarHBondContact O-N 2.88Å; I64-T66 PolarHBondContact O-N 2.73Å; T66-T68 VanDerWaalsContact C-N 3.33Å; T66-T68 PolarHBondContact O-N 3.19Å; T66-A69 PolarHBondContact O-N 2.98Å; T66-L70 HydrophobicContact CG2-CD1 4.28Å; T66-L70 WeakPolarHBondContact O-CB 3.32Å; T66-L70 WeakPolarHBondContact O-CD1 3.48Å; T66-L70 PolarHBondContact O-N 3.19Å; T66-V367 HydrophobicContact CG2-CG1 4.45Å; T66-V367 HydrophobicContact CG2-CG2 3.91Å
67L98.9Very high98.8Very high0 Ų013.7 Ų13.70%08%0.081CC..Hα-helixtrans-60.5-42.9176.9-65.7170.7000111.4L45 I50 L63 I64 L70 G71 A72 V74 W76 L130 V367 Q370L45-L67 HydrophobicContact CD1-CD2 3.71Å; I50-L67 HydrophobicContact CD1-CB 4.38Å; I50-L67 HydrophobicContact CD1-CD1 4.19Å; I50-L67 HydrophobicContact CD1-CD2 3.96Å; I50-L67 HydrophobicContact CD1-CG 4.41Å; L63-L67 HydrophobicContact CD1-CD1 4.04Å; L63-L67 HydrophobicContact CD1-CD2 4.44Å; L63-L67 HydrophobicContact CD1-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.19Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.01Å; I64-L67 PolarHBondContact O-N 3.2Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 3.37Å; L67-G71 PolarHBondContact O-N 3.1Å; L67-A72 HydrophobicContact CB-CB 4.36Å; L67-A72 WeakPolarHBondContact O-CB 3.21Å; L67-A72 PolarHBondContact O-N 3.35Å; L67-V74 HydrophobicContact CB-CG2 3.94Å; L67-W76 HydrophobicContact CD1-CH2 4.21Å; L67-W76 HydrophobicContact CD1-CZ3 3.98Å; L67-L130 HydrophobicContact CD1-CD1 4.02Å; L67-V367 HydrophobicContact CD2-CG2 4.06Å; L67-Q370 HydrophobicContact CD2-CB 4.41Å; L67-Q370 HydrophobicContact CD2-CG 4.35Å
68T98.8Very high98.8Very high48 Ų4813.4 Ų13.429%0.2948%0.079SC..Hα-helixtrans-68.9-39.6176.860.20000112.3I64 E65 T66 L70 G71 V74 V97I64-T68 WeakPolarHBondContact O-CG2 3.23Å; I64-T68 PolarHBondContact O-N 3.12Å; I64-T68 PolarHBondContact O-OG1 2.94Å; E65-T68 WeakPolarHBondContact CA-OG1 3.18Å; E65-T68 PolarHBondContact O-OG1 3.06Å; E65-T68 VanDerWaalsContact O-OG1 3.08Å; T66-T68 VanDerWaalsContact C-N 3.33Å; T66-T68 PolarHBondContact O-N 3.19Å; T68-L70 PolarHBondContact O-N 3.19Å; T68-G71 WeakPolarHBondContact O-CA 3.37Å; T68-G71 PolarHBondContact O-N 3Å; T68-V74 HydrophobicContact CG2-CB 4.15Å; T68-V74 HydrophobicContact CG2-CG2 3.77Å; T68-V97 HydrophobicContact CG2-CG2 3.99Å
69A98.8Very high98.8Very high31 Ų3112.8 Ų12.826%0.2568%0.077SC..Hα-helixtrans-58.6-36.4173.800000112.1R36 K43 E65 T66 G71R36-A69 HydrophobicContact CG-CB 4.31Å; K43-A69 PolarHBondContact NZ-O 2.97Å; K43-A69 VanDerWaalsContact NZ-O 3.07Å; E65-A69 WeakPolarHBondContact O-CB 3.38Å; E65-A69 PolarHBondContact O-N 3.5Å; T66-A69 PolarHBondContact O-N 2.98Å; A69-G71 PolarHBondContact O-N 3.4Å
70L98.9Very high98.7Very high0 Ų012.9 Ų12.90%08%0.077CC..THydrogen-bonded Turntrans-78.71175.3-89.559.4000113.9K43 P44 L45 T66 L67 T68 V367 I371K43-L70 CarbonylContact C-O 3.51Å; K43-L70 WeakPolarHBondContact CA-O 3.35Å; P44-L70 HydrophobicContact CG-CB 4.46Å; P44-L70 HydrophobicContact CG-CD2 4.28Å; P44-L70 HydrophobicContact CG-CG 4.24Å; L45-L70 HydrophobicContact CB-CB 4.4Å; L45-L70 HydrophobicContact CD1-CB 3.95Å; L45-L70 HydrophobicContact CD1-CD2 4.35Å; L45-L70 HydrophobicContact CG-CB 4.2Å; L45-L70 PolarHBondContact N-O 3.35Å; T66-L70 HydrophobicContact CG2-CD1 4.28Å; T66-L70 WeakPolarHBondContact O-CB 3.32Å; T66-L70 WeakPolarHBondContact O-CD1 3.48Å; T66-L70 PolarHBondContact O-N 3.19Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 3.37Å; T68-L70 PolarHBondContact O-N 3.19Å; L70-V367 HydrophobicContact CD2-CG1 3.6Å; L70-I371 HydrophobicContact CD2-CD1 3.8Å; L70-I371 HydrophobicContact CD2-CG1 4.36Å
71G98.7Very high98.7Very high20 Ų2013.5 Ų13.521%0.2068%0.08CC..THydrogen-bonded Turntrans101.84.4169.100000116.1L45 K46 L67 T68 A69L45-G71 CarbonylContact O-C 3.55Å; K46-G71 WeakPolarHBondContact CA-O 3.4Å; L67-G71 PolarHBondContact O-N 3.1Å; T68-G71 WeakPolarHBondContact O-CA 3.37Å; T68-G71 PolarHBondContact O-N 3Å; A69-G71 PolarHBondContact O-N 3.4Å
72A98.8Very high98.6Very high9 Ų914 Ų147%0.0748%0.083CC..  trans-73.1147.1175.700000111.7L45 A48 I50 L67 V74L45-A72 HydrophobicContact CB-CB 3.93Å; L45-A72 HydrophobicContact CD1-CB 4.31Å; A48-A72 HydrophobicContact CB-CB 4.24Å; I50-A72 HydrophobicContact CD1-CB 3.62Å; I50-A72 HydrophobicContact CG1-CB 4.15Å; L67-A72 HydrophobicContact CB-CB 4.36Å; L67-A72 WeakPolarHBondContact O-CB 3.21Å; L67-A72 PolarHBondContact O-N 3.35Å; A72-V74 HydrophobicContact CB-CG2 4Å
73E98.7Very high98.6Very high104 Ų10414.1 Ų14.149%0.4868%0.083SC..EExtended strand (participates in β ladder)trans-85.5135.4154-65177.5-169.600108.1A48 R49 I50 F120A48-E73 PolarHBondContact O-N 3.07Å; R49-E73 CarbonylContact C-O 3.58Å; R49-E73 WeakPolarHBondContact CA-O 3.32Å; R49-E73 HydrophobicContact CG-CB 4.27Å; I50-E73 PolarHBondContact N-O 3.49Å; E73-F120 HydrophobicContact CB-CD1 3.83Å; E73-F120 HydrophobicContact CB-CE1 3.76Å; E73-F120 WeakPolarHBondContact O-CE1 3.31Å
74V98.8Very high98.6Very high7 Ų714.2 Ų14.24%0.0428%0.084CC..EExtended strand (participates in β ladder)trans-129.4140.5-172.6-179.10000110I50 I64 L67 T68 A72 W76 V97 P98I50-V74 HydrophobicContact CB-CG2 4.49Å; I50-V74 WeakPolarHBondContact O-CA 3.47Å; I64-V74 HydrophobicContact CG1-CG1 4.49Å; I64-V74 HydrophobicContact CG2-CG1 4.18Å; L67-V74 HydrophobicContact CB-CG2 3.94Å; T68-V74 HydrophobicContact CG2-CB 4.15Å; T68-V74 HydrophobicContact CG2-CG2 3.77Å; A72-V74 HydrophobicContact CB-CG2 4Å; V74-W76 HydrophobicContact CG1-CE3 3.4Å; V74-W76 VanDerWaalsContact CG1-CE3 3.4Å; V74-W76 HydrophobicContact CG1-CZ3 3.73Å; V74-V97 HydrophobicContact CB-CG1 4.33Å; V74-V97 HydrophobicContact CG1-CG1 4.37Å; V74-P98 WeakPolarHBondContact O-CD 3.45Å
75Q98.6Very high98.6Very high4 Ų414.8 Ų14.82%0.0199%0.086CC..EExtended strand (participates in β ladder)trans-132.3145.1163.9-58.3-172.3140.500108.7I50 G52 P98 Q116 T117 Y119 F120I50-Q75 PolarHBondContact O-N 3.18Å; G52-Q75 PolarHBondContact N-O 2.85Å; Q75-P98 WeakPolarHBondContact CA-O 3.05Å; Q75-P98 HydrophobicContact CB-CB 4.35Å; Q75-P98 HydrophobicContact CG-CB 3.98Å; Q75-P98 HydrophobicContact CG-CG 3.97Å; Q75-Q116 PolarHBondContact NE2-O 3.02Å; Q75-T117 HydrophobicContact CB-CG2 4.44Å; Q75-T117 PolarHBondContact NE2-O 3.35Å; Q75-Y119 PolarHBondContact NE2-O 3.45Å; Q75-Y119 PolarHBondContact OE1-O 2.96Å; Q75-F120 HydrophobicContact CB-CZ 4.2Å; Q75-F120 HydrophobicContact CG-CD1 4.07Å; Q75-F120 HydrophobicContact CG-CE1 3.68Å; Q75-F120 HydrophobicContact CG-CE2 4.21Å; Q75-F120 HydrophobicContact CG-CG 4.49Å; Q75-F120 HydrophobicContact CG-CZ 3.74Å
76W98.9Very high98.6Very high0 Ų015.2 Ų15.20%09%0.09CC..EExtended strand (participates in β ladder)trans-135.3144.4-168.7-141.9-89.9000114.2L54 M56 T60 L63 I64 L67 V74 P98 V99 Y100 L130L54-W76 HydrophobicContact CB-CZ2 3.89Å; L54-W76 PolarHBondContact O-NE1 3.04Å; M56-W76 HydrophobicContact SD-CG 4.43Å; T60-W76 HydrophobicContact CG2-CZ2 3.48Å; T60-W76 VanDerWaalsContact CG2-CZ2 3.48Å; L63-W76 HydrophobicContact CD2-CH2 4Å; L63-W76 HydrophobicContact CD2-CZ2 4.25Å; L63-W76 HydrophobicContact CG-CH2 4.36Å; I64-W76 HydrophobicContact CD1-CB 4.1Å; I64-W76 HydrophobicContact CD1-CD2 3.56Å; I64-W76 HydrophobicContact CD1-CE3 3.93Å; I64-W76 HydrophobicContact CD1-CG 3.65Å; I64-W76 HydrophobicContact CG1-CD2 3.68Å; I64-W76 HydrophobicContact CG1-CE3 3.54Å; I64-W76 HydrophobicContact CG1-CG 4.3Å; I64-W76 HydrophobicContact CG1-CH2 4.02Å; I64-W76 HydrophobicContact CG1-CZ2 4.19Å; I64-W76 HydrophobicContact CG1-CZ3 3.71Å; L67-W76 HydrophobicContact CD1-CH2 4.21Å; L67-W76 HydrophobicContact CD1-CZ3 3.98Å; V74-W76 HydrophobicContact CG1-CE3 3.4Å; V74-W76 VanDerWaalsContact CG1-CE3 3.4Å; V74-W76 HydrophobicContact CG1-CZ3 3.73Å; W76-P98 PolarHBondContact N-O 3.41Å; W76-V99 HydrophobicContact CB-CG2 4.27Å; W76-V99 WeakPolarHBondContact O-CA 3.37Å; W76-Y100 PolarHBondContact O-N 2.94Å; W76-L130 HydrophobicContact CH2-CD1 4Å; W76-L130 HydrophobicContact CH2-CD2 3.85Å; W76-L130 HydrophobicContact CH2-CG 4.37Å; W76-L130 HydrophobicContact CZ2-CD2 4.06Å
77S98.9Very high98.5Very high0 Ų015.9 Ų15.90%09%0.093CC..EExtended strand (participates in β ladder)trans-133.7154.8167.958.20000109.4G52 C53 L54 Y100G52-S77 PolarHBondContact O-N 2.94Å; G52-S77 PolarHBondContact O-OG 3.08Å; C53-S77 WeakPolarHBondContact CA-O 3.45Å; L54-S77 PolarHBondContact N-O 3.32Å; L54-S77 VanDerWaalsContact N-O 3.12Å; L54-S77 VanDerWaalsContact O-O 3.14Å; S77-Y100 WeakPolarHBondContact CA-O 3.22Å
78S98.7Very high98.5Very high0 Ų015.9 Ų15.90%09%0.093CC..  trans-73.9153.4170.1-167.30000110.3N80 S83 T84 Y110S78-N80 PolarHBondContact OG-N 2.95Å; S78-N80 PolarHBondContact OG-O 3.25Å; S78-S83 PolarHBondContact OG-OG 3.25Å; S78-T84 WeakPolarHBondContact CB-OG1 3.45Å; S78-T84 PolarHBondContact OG-OG1 3.12Å; S78-Y110 VanDerWaalsContact O-CE2 3.23Å; S78-Y110 WeakPolarHBondContact O-CE2 3.26Å
79C97.8Very high98.5Very high6 Ų613.6 Ų13.64%0.0418%0.079CC..SBendtrans-986.6169.263.80000112.8H55 Y110 D132H55-C79 PolarHBondContact CE1-SG 3.13Å; H55-C79 PolarHBondContact N-SG 3.38Å; H55-C79 PolarHBondContact ND1-SG 2.73Å; H55-C79 VanDerWaalsContact ND1-SG 3.39Å; C79-Y110 WeakPolarHBondContact CA-OH 3.39Å; C79-Y110 PolarHBondContact O-OH 3.29Å; C79-D132 VanDerWaalsContact CB-O 3.26Å; C79-D132 WeakPolarHBondContact CB-O 3.4Å
80N97.7Very high98.5Very high14 Ų1412.1 Ų12.18%0.0757%0.066CC..SBendtrans-154.1131.5175.1-176.8-74.6000111.7S78 F82 S83S78-N80 PolarHBondContact OG-N 2.95Å; S78-N80 PolarHBondContact OG-O 3.25Å; N80-F82 PolarHBondContact O-N 3.34Å; N80-F82 VanDerWaalsContact O-N 3.08Å; N80-F82 PolarHBondContact OD1-N 3.02Å; N80-S83 PolarHBondContact O-N 2.96Å; N80-S83 VanDerWaalsContact O-N 3.08Å; N80-S83 PolarHBondContact O-OG 3.2Å
81I97.7Very high98.5Very high13 Ų1312.2 Ų12.27%0.0677%0.067CC..THydrogen-bonded Turntrans-59.1-22.4-174.164.5170.8000114.9G104 E105 Y110 R344I81-G104 PolarHBondContact O-N 3.06Å; I81-E105 HydrophobicContact CB-CB 4.04Å; I81-E105 HydrophobicContact CG2-CB 3.97Å; I81-E105 PolarHBondContact O-N 3.04Å; I81-Y110 HydrophobicContact CG2-CD2 4.03Å; I81-Y110 HydrophobicContact CG2-CG 4.02Å; I81-R344 VanDerWaalsContact CD1-NE 3.32Å
82F97.5Very high98.6Very high12 Ų1211.2 Ų11.25%0.0536%0.057CC..THydrogen-bonded Turntrans-109.5-0.5-179.6-60.6-42.2000113.7N80 K103 Q325 E342 R344N80-F82 PolarHBondContact O-N 3.34Å; N80-F82 VanDerWaalsContact O-N 3.08Å; N80-F82 PolarHBondContact OD1-N 3.02Å; F82-K103 PolarHBondContact O-NZ 2.81Å; F82-Q325 HydrophobicContact CD1-CG 4.28Å; F82-Q325 HydrophobicContact CD2-CG 4.16Å; F82-Q325 HydrophobicContact CE2-CG 4.42Å; F82-Q325 HydrophobicContact CG-CG 4.09Å; F82-E342 HydrophobicContact CE2-CB 4.42Å; F82-E342 HydrophobicContact CE2-CG 4.42Å; F82-E342 WeakPolarHBondContact CZ-OE1 3.28Å; F82-R344 HydrophobicContact CD2-CB 4.39Å
83S98.1Very high98.6Very high1 Ų111 Ų111%0.0076%0.055CC..THydrogen-bonded Turntrans-90.2-16.2-171.465.90000114.8H55 S78 N80 Q85H55-S83 WeakPolarHBondContact ND1-CB 3.37Å; H55-S83 PolarHBondContact ND1-OG 3.15Å; S78-S83 PolarHBondContact OG-OG 3.25Å; N80-S83 PolarHBondContact O-N 2.96Å; N80-S83 VanDerWaalsContact O-N 3.08Å; N80-S83 PolarHBondContact O-OG 3.2Å; S83-Q85 PolarHBondContact O-N 3.35Å
84T98.8Very high98.5Very high2 Ų213.4 Ų13.41%0.0126%0.064CC..  trans-62.5134.9-178.4-58.10000111.2M56 S78 A89 A101 W102 K103M56-T84 HydrophobicContact CB-CG2 3.98Å; M56-T84 HydrophobicContact CG-CG2 4.19Å; M56-T84 WeakPolarHBondContact O-CA 3.22Å; S78-T84 WeakPolarHBondContact CB-OG1 3.45Å; S78-T84 PolarHBondContact OG-OG1 3.12Å; T84-A89 HydrophobicContact CG2-CB 4.05Å; T84-A101 HydrophobicContact CG2-CB 4.03Å; T84-W102 VanDerWaalsContact CB-C 3.47Å; T84-W102 PolarHBondContact OG1-O 3.03Å; T84-K103 WeakPolarHBondContact O-CB 3.41Å
85Q98.8Very high98.5Very high12 Ų1216.1 Ų16.16%0.0568%0.081CC..  trans-100.4102.7167.2-65.6171.39.400107.4M56 T57 L58 S83 H87 A88 A89 M352M56-Q85 PolarHBondContact O-N 3.48Å; T57-Q85 HydrophobicContact CG2-CG 4.39Å; L58-Q85 VanDerWaalsContact CG-OE1 3.26Å; S83-Q85 PolarHBondContact O-N 3.35Å; Q85-H87 PolarHBondContact O-N 2.9Å; Q85-H87 VanDerWaalsContact O-N 3.09Å; Q85-A88 HydrophobicContact CB-CB 4.1Å; Q85-A88 WeakPolarHBondContact O-CA 3.29Å; Q85-A88 VanDerWaalsContact O-CB 3.31Å; Q85-A88 WeakPolarHBondContact O-CB 3.45Å; Q85-A88 PolarHBondContact O-N 2.71Å; Q85-A89 PolarHBondContact O-N 3.12Å; Q85-A89 VanDerWaalsContact O-N 3.08Å; Q85-M352 HydrophobicContact CG-CE 3.84Å; Q85-M352 HydrophobicContact CG-SD 4.34Å; Q85-M352 PolarHBondContact NE2-O 2.98Å
86D98.8Very high98.5Very high37 Ų3717.5 Ų17.520%0.19810%0.096CC..Hα-helixtrans-58.6-32.7-167.1-62.3-45.7000113.8A10 L14 A89 A90 W102 K103A10-D86 HydrophobicContact CB-CB 3.95Å; L14-D86 HydrophobicContact CD1-CB 3.89Å; D86-A89 PolarHBondContact O-N 3.36Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.19Å; D86-W102 VanDerWaalsContact OD1-CA 3.31Å; D86-W102 WeakPolarHBondContact OD1-CA 3.28Å; D86-K103 PolarHBondContact OD1-N 2.62Å
87H98.8Very high98.5Very high13 Ų1318.3 Ų18.36%0.0610%0.101CC..Hα-helixtrans-67.1-35.3174.759.2-76.3000112.7L14 W17 G18 Q85 A91L14-H87 HydrophobicContact CB-CB 3.93Å; W17-H87 HydrophobicContact CD2-CB 3.81Å; W17-H87 AromaticContact CD2-CG 3.89Å; W17-H87 AromaticContact CE2-CD2 3.77Å; W17-H87 AromaticContact CE2-CG 3.93Å; W17-H87 HydrophobicContact CE3-CB 3.54Å; W17-H87 AromaticContact CE3-CG 3.86Å; W17-H87 HydrophobicContact CG-CB 4.36Å; W17-H87 HydrophobicContact CH2-CB 4.45Å; W17-H87 AromaticContact CH2-CE1 3.92Å; W17-H87 AromaticContact CH2-CG 3.95Å; W17-H87 AromaticContact CH2-ND1 3.6Å; W17-H87 AromaticContact CZ2-CD2 3.98Å; W17-H87 AromaticContact CZ2-CE1 3.81Å; W17-H87 AromaticContact CZ2-CG 3.97Å; W17-H87 AromaticContact CZ2-ND1 3.85Å; W17-H87 AromaticContact CZ2-NE2 3.9Å; W17-H87 HydrophobicContact CZ3-CB 3.89Å; W17-H87 AromaticContact CZ3-CG 3.9Å; W17-H87 AromaticContact CZ3-ND1 3.83Å; G18-H87 VanDerWaalsContact CA-O 3.28Å; G18-H87 WeakPolarHBondContact CA-O 3.24Å; Q85-H87 PolarHBondContact O-N 2.9Å; Q85-H87 VanDerWaalsContact O-N 3.09Å; H87-A91 WeakPolarHBondContact O-CB 3.41Å; H87-A91 PolarHBondContact O-N 2.73Å
88A98.8Very high98.5Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-67.9-45.9172.700000111.2M56 T57 L58 A61 Q85 A90 A91 I92M56-A88 HydrophobicContact CE-CB 4.4Å; T57-A88 VanDerWaalsContact C-CB 3.46Å; L58-A88 HydrophobicContact CD2-CB 3.9Å; L58-A88 HydrophobicContact CG-CB 4.15Å; A61-A88 HydrophobicContact CB-CB 4.47Å; Q85-A88 HydrophobicContact CB-CB 4.1Å; Q85-A88 WeakPolarHBondContact O-CA 3.29Å; Q85-A88 VanDerWaalsContact O-CB 3.31Å; Q85-A88 WeakPolarHBondContact O-CB 3.45Å; Q85-A88 PolarHBondContact O-N 2.71Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3.37Å; A88-A91 PolarHBondContact O-N 2.77Å; A88-I92 PolarHBondContact O-N 3.44Å
89A98.9Very high98.5Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-58.3-45.917600000111.6V9 M56 T84 Q85 D86 A91 I92 A93 V99V9-A89 HydrophobicContact CB-CB 4.36Å; V9-A89 HydrophobicContact CG1-CB 3.89Å; M56-A89 HydrophobicContact CG-CB 3.76Å; T84-A89 HydrophobicContact CG2-CB 4.05Å; Q85-A89 PolarHBondContact O-N 3.12Å; Q85-A89 VanDerWaalsContact O-N 3.08Å; D86-A89 PolarHBondContact O-N 3.36Å; A89-A91 PolarHBondContact O-N 3.37Å; A89-I92 PolarHBondContact O-N 3.37Å; A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 2.88Å; A89-V99 HydrophobicContact CB-CG1 4.17Å
90A98.9Very high98.5Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-60.8-43.8176.100000112.5D11 I12 L14 A15 D86 A88 I92 A93 K94D11-A90 VanDerWaalsContact O-CB 3.28Å; D11-A90 WeakPolarHBondContact O-CB 3.38Å; I12-A90 HydrophobicContact CD1-CB 4.46Å; I12-A90 WeakPolarHBondContact CD1-O 3.46Å; L14-A90 HydrophobicContact CB-CB 4Å; A15-A90 HydrophobicContact CB-CB 4.24Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.19Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3.37Å; A90-I92 PolarHBondContact O-N 3.35Å; A90-A93 PolarHBondContact O-N 2.93Å; A90-K94 WeakPolarHBondContact O-CB 3.39Å; A90-K94 PolarHBondContact O-N 3.09Å
91A98.9Very high98.6Very high2 Ų218 Ų182%0.01710%0.099CC..Hα-helixtrans-64-40.1178.800000112.5I22 H87 A88 A89 K94 T95I22-A91 HydrophobicContact CD1-CB 3.61Å; H87-A91 WeakPolarHBondContact O-CB 3.41Å; H87-A91 PolarHBondContact O-N 2.73Å; A88-A91 PolarHBondContact O-N 2.77Å; A89-A91 PolarHBondContact O-N 3.37Å; A91-K94 PolarHBondContact O-N 2.88Å; A91-T95 WeakPolarHBondContact O-CG2 3.45Å; A91-T95 PolarHBondContact O-N 3.16Å
92I98.9Very high98.6Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-69.8-46.3175.3-66-61.2000111.3M56 A61 I64 E65 A88 A89 A90 K94 T95 V97 V99M56-I92 HydrophobicContact CE-CG1 4.05Å; A61-I92 HydrophobicContact CB-CD1 3.64Å; A61-I92 HydrophobicContact CB-CG1 3.51Å; I64-I92 HydrophobicContact CB-CD1 4.42Å; I64-I92 HydrophobicContact CD1-CG1 4.48Å; I64-I92 HydrophobicContact CD1-CG2 4.29Å; I64-I92 HydrophobicContact CG2-CD1 4.25Å; I64-I92 HydrophobicContact CG2-CG2 3.96Å; E65-I92 HydrophobicContact CG-CD1 3.81Å; A88-I92 PolarHBondContact O-N 3.44Å; A89-I92 PolarHBondContact O-N 3.37Å; A90-I92 PolarHBondContact O-N 3.35Å; I92-K94 PolarHBondContact O-N 2.96Å; I92-T95 WeakPolarHBondContact O-CB 3.4Å; I92-T95 PolarHBondContact O-N 3.26Å; I92-T95 PolarHBondContact O-OG1 3.09Å; I92-V97 HydrophobicContact CG2-CB 3.73Å; I92-V97 HydrophobicContact CG2-CG1 3.8Å; I92-V99 HydrophobicContact CB-CG2 3.98Å; I92-V99 HydrophobicContact CG2-CG2 3.35Å
93A98.8Very high98.7Very high3 Ų321.1 Ų21.13%0.02511%0.112CC..Hα-helixtrans-54.7-38.8175.500000111.8Y7 V9 I12 A89 A90 T95 G96Y7-A93 HydrophobicContact CD1-CB 4.06Å; Y7-A93 HydrophobicContact CD2-CB 3.97Å; Y7-A93 HydrophobicContact CE2-CB 4.44Å; Y7-A93 HydrophobicContact CG-CB 3.78Å; V9-A93 HydrophobicContact CG1-CB 4.05Å; I12-A93 HydrophobicContact CD1-CB 3.81Å; A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 2.88Å; A90-A93 PolarHBondContact O-N 2.93Å; A93-T95 VanDerWaalsContact C-N 3.25Å; A93-T95 PolarHBondContact O-N 2.81Å; A93-G96 PolarHBondContact O-N 2.84Å
94K98.6Very high98.6Very high156 Ų15622.9 Ų22.968%0.67813%0.13SC*.Hα-helixtrans-64.8-23.6177-166.966173.3-1730113.9I12 A15 A90 A91 I92 G96I12-K94 HydrophobicContact CD1-CB 4.5Å; A15-K94 HydrophobicContact CB-CB 3.83Å; A15-K94 HydrophobicContact CB-CG 4.08Å; A90-K94 WeakPolarHBondContact O-CB 3.39Å; A90-K94 PolarHBondContact O-N 3.09Å; A91-K94 PolarHBondContact O-N 2.88Å; I92-K94 PolarHBondContact O-N 2.96Å; K94-G96 PolarHBondContact O-N 2.82Å
95T98.4Very high98.6Very high64 Ų6423 Ų2339%0.39313%0.131SC..THydrogen-bonded Turntrans-73.3-14.3172.672.30000113.1R19 A91 I92 A93 V97R19-T95 VanDerWaalsContact NH2-CG2 3.33Å; A91-T95 WeakPolarHBondContact O-CG2 3.45Å; A91-T95 PolarHBondContact O-N 3.16Å; I92-T95 WeakPolarHBondContact O-CB 3.4Å; I92-T95 PolarHBondContact O-N 3.26Å; I92-T95 PolarHBondContact O-OG1 3.09Å; A93-T95 VanDerWaalsContact C-N 3.25Å; A93-T95 PolarHBondContact O-N 2.81Å; T95-V97 WeakPolarHBondContact OG1-CG2 3.39Å; T95-V97 PolarHBondContact OG1-N 3.33Å
96G97.8Very high98.5Very high33 Ų3325.5 Ų25.534%0.3415%0.147SC..THydrogen-bonded Turntrans94.7-1.2-17500000114.5A93 K94 P98 R121A93-G96 PolarHBondContact O-N 2.84Å; K94-G96 PolarHBondContact O-N 2.82Å; G96-P98 WeakPolarHBondContact O-CD 3.49Å; G96-R121 PolarHBondContact O-NH2 2.91Å
97V98.5Very high98.4Very high16 Ų1628.3 Ų28.310%0.09716%0.161CC..  trans-70.8124.4168.81740000109.4I64 T68 V74 I92 T95 V99I64-V97 HydrophobicContact CG2-CG1 3.9Å; I64-V97 HydrophobicContact CG2-CG2 4.33Å; T68-V97 HydrophobicContact CG2-CG2 3.99Å; V74-V97 HydrophobicContact CB-CG1 4.33Å; V74-V97 HydrophobicContact CG1-CG1 4.37Å; I92-V97 HydrophobicContact CG2-CB 3.73Å; I92-V97 HydrophobicContact CG2-CG1 3.8Å; T95-V97 WeakPolarHBondContact OG1-CG2 3.39Å; T95-V97 PolarHBondContact OG1-N 3.33Å; V97-V99 HydrophobicContact CG1-CG2 4.45Å; V97-V99 PolarHBondContact O-N 3.31Å
98P98.5Very high98.3Very high11 Ų1134.5 Ų34.57%0.07119%0.19CC..  trans-64.8119.9175.9-24.136.2000112.4P6 V74 Q75 W76 G96 Y100P6-P98 VanDerWaalsContact O-CA 3.31Å; P6-P98 WeakPolarHBondContact O-CA 3.44Å; P6-P98 VanDerWaalsContact O-CB 3.28Å; P6-P98 WeakPolarHBondContact O-CB 3.4Å; V74-P98 WeakPolarHBondContact O-CD 3.45Å; Q75-P98 WeakPolarHBondContact CA-O 3.05Å; Q75-P98 HydrophobicContact CB-CB 4.35Å; Q75-P98 HydrophobicContact CG-CB 3.98Å; Q75-P98 HydrophobicContact CG-CG 3.97Å; W76-P98 PolarHBondContact N-O 3.41Å; G96-P98 WeakPolarHBondContact O-CD 3.49Å; P98-Y100 HydrophobicContact CB-CE2 3.84Å
99V98.8Very high98.3Very high0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-125.1131175.2177.70000109Y7 K8 V9 M56 W76 A89 I92 V97 A101Y7-V99 CarbonylContact C-O 3.57Å; Y7-V99 WeakPolarHBondContact CA-O 3.5Å; Y7-V99 VanDerWaalsContact CB-O 3.27Å; Y7-V99 WeakPolarHBondContact CB-O 3.31Å; K8-V99 PolarHBondContact N-O 2.61Å; V9-V99 HydrophobicContact CG1-CB 4.35Å; V9-V99 HydrophobicContact CG1-CG1 4.21Å; M56-V99 HydrophobicContact CG-CG1 3.99Å; M56-V99 HydrophobicContact SD-CG1 3.84Å; M56-V99 HydrophobicContact SD-CG2 4.38Å; W76-V99 HydrophobicContact CB-CG2 4.27Å; W76-V99 WeakPolarHBondContact O-CA 3.37Å; A89-V99 HydrophobicContact CB-CG1 4.17Å; I92-V99 HydrophobicContact CB-CG2 3.98Å; I92-V99 HydrophobicContact CG2-CG2 3.35Å; V97-V99 HydrophobicContact CG1-CG2 4.45Å; V97-V99 PolarHBondContact O-N 3.31Å; V99-A101 HydrophobicContact CG1-CB 3.96Å
100Y98.8Very high98.3Very high2 Ų238.3 Ų38.31%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-123.384.5176-51.2-85.9000106.9K4 L5 K8 W76 S77 P98 W112 C113 Q116 T117K4-Y100 VanDerWaalsContact CE-OH 3.3Å; K4-Y100 WeakPolarHBondContact CE-OH 3.37Å; L5-Y100 HydrophobicContact CB-CE1 4.31Å; L5-Y100 PolarHBondContact O-OH 2.97Å; K8-Y100 HydrophobicContact CB-CD1 4.13Å; K8-Y100 WeakPolarHBondContact O-CA 3.16Å; W76-Y100 PolarHBondContact O-N 2.94Å; S77-Y100 WeakPolarHBondContact CA-O 3.22Å; P98-Y100 HydrophobicContact CB-CE2 3.84Å; Y100-W112 AromaticContact CD1-CH2 3.85Å; Y100-W112 HydrophobicContact CD1-CH2 3.85Å; Y100-W112 HydrophobicContact CD1-CZ3 4.07Å; Y100-W112 HydrophobicContact CE1-CH2 4.46Å; Y100-C113 VanDerWaalsContact C-SG 3.59Å; Y100-C113 VanDerWaalsContact O-CB 3.28Å; Y100-C113 WeakPolarHBondContact O-CB 3.31Å; Y100-C113 PolarHBondContact O-SG 2.78Å; Y100-Q116 HydrophobicContact CD1-CB 3.72Å; Y100-Q116 HydrophobicContact CD1-CG 3.7Å; Y100-Q116 HydrophobicContact CD2-CB 3.41Å; Y100-Q116 VanDerWaalsContact CD2-CB 3.41Å; Y100-Q116 HydrophobicContact CD2-CG 4.3Å; Y100-Q116 HydrophobicContact CE1-CB 3.76Å; Y100-Q116 HydrophobicContact CE1-CG 3.87Å; Y100-Q116 HydrophobicContact CE2-CB 3.45Å; Y100-Q116 VanDerWaalsContact CE2-CB 3.45Å; Y100-Q116 HydrophobicContact CE2-CG 4.44Å; Y100-Q116 HydrophobicContact CG-CB 3.54Å; Y100-Q116 HydrophobicContact CG-CG 3.92Å; Y100-T117 HydrophobicContact CD2-CG2 4.46Å
101A98.8Very high98.3Very high0 Ų041.2 Ų41.20%023%0.225CC..  trans-161.7135.6-175.200000111.7K8 M56 T84 V99 E105K8-A101 PolarHBondContact O-N 3.4Å; M56-A101 HydrophobicContact CB-CB 3.77Å; M56-A101 HydrophobicContact CG-CB 3.91Å; T84-A101 HydrophobicContact CG2-CB 4.03Å; V99-A101 HydrophobicContact CG1-CB 3.96Å; A101-E105 WeakPolarHBondContact CA-OE1 3.05Å
102W98.8Very high98.3Very high25 Ų2544.6 Ų44.610%0.09524%0.237CC..  trans-149.7161166.654.695000111.1K8 A10 T84 D86 E105 E109 W112 C113K8-W102 HydrophobicContact CB-CZ3 3.98Å; K8-W102 HydrophobicContact CD-CE3 4.43Å; K8-W102 HydrophobicContact CD-CH2 3.56Å; K8-W102 HydrophobicContact CD-CZ2 4.45Å; K8-W102 HydrophobicContact CD-CZ3 3.52Å; K8-W102 HydrophobicContact CG-CE3 4.14Å; K8-W102 HydrophobicContact CG-CH2 4.16Å; K8-W102 HydrophobicContact CG-CZ3 3.59Å; K8-W102 VanDerWaalsContact NZ-CH2 3.26Å; A10-W102 HydrophobicContact CB-CB 3.83Å; T84-W102 VanDerWaalsContact CB-C 3.47Å; T84-W102 PolarHBondContact OG1-O 3.03Å; D86-W102 VanDerWaalsContact OD1-CA 3.31Å; D86-W102 WeakPolarHBondContact OD1-CA 3.28Å; W102-E105 HydrophobicContact CD2-CG 3.86Å; W102-E105 HydrophobicContact CE3-CG 4.49Å; W102-E105 HydrophobicContact CG-CG 4.08Å; W102-E105 HydrophobicContact CH2-CG 4.41Å; W102-E105 HydrophobicContact CZ2-CG 3.83Å; W102-E105 PolarHBondContact N-OE1 3.4Å; W102-E105 WeakPolarHBondContact O-CG 3.16Å; W102-E105 VanDerWaalsContact O-OE1 3.11Å; W102-E109 HydrophobicContact CH2-CB 4.2Å; W102-E109 HydrophobicContact CZ2-CB 3.75Å; W102-E109 HydrophobicContact CZ2-CG 4.01Å; W102-E109 WeakPolarHBondContact CZ2-OE1 3.04Å; W102-E109 WeakPolarHBondContact CZ2-OE2 3.38Å; W102-W112 HydrophobicContact CH2-CE3 4.34Å; W102-W112 HydrophobicContact CH2-CZ3 4.12Å; W102-W112 HydrophobicContact CZ3-CZ3 4.26Å; W102-C113 VanDerWaalsContact CH2-SG 3.59Å; W102-C113 VanDerWaalsContact CZ3-SG 3.55Å
103K98.4Very high98.2Very high66 Ų6644.6 Ų44.629%0.28724%0.237SC..THydrogen-bonded Turntrans-76.1129176-162.7178.5177.888.40110F82 T84 D86 L348 G349F82-K103 PolarHBondContact O-NZ 2.81Å; T84-K103 WeakPolarHBondContact O-CB 3.41Å; D86-K103 PolarHBondContact OD1-N 2.62Å; K103-L348 PolarHBondContact NZ-O 3.44Å; K103-G349 PolarHBondContact NZ-O 3.4Å
104G97.3Very high98.2Very high38 Ų3844.7 Ų44.739%0.39224%0.238SC..THydrogen-bonded Turntrans86.932.9-179.900000114.2I81I81-G104 PolarHBondContact O-N 3.06Å
105E98.2Very high98.2Very high6 Ų639.4 Ų39.43%0.02822%0.215CC..  trans-56.2147.4166.6-73.7160.7-156.400111.3I81 A101 W102 E109I81-E105 HydrophobicContact CB-CB 4.04Å; I81-E105 HydrophobicContact CG2-CB 3.97Å; I81-E105 PolarHBondContact O-N 3.04Å; A101-E105 WeakPolarHBondContact CA-OE1 3.05Å; W102-E105 HydrophobicContact CD2-CG 3.86Å; W102-E105 HydrophobicContact CE3-CG 4.49Å; W102-E105 HydrophobicContact CG-CG 4.08Å; W102-E105 HydrophobicContact CH2-CG 4.41Å; W102-E105 HydrophobicContact CZ2-CG 3.83Å; W102-E105 PolarHBondContact N-OE1 3.4Å; W102-E105 WeakPolarHBondContact O-CG 3.16Å; W102-E105 VanDerWaalsContact O-OE1 3.11Å; E105-E109 HydrophobicContact CB-CB 4.33Å
106T97.9Very high98.2Very high64 Ų6438 Ų3839%0.39320%0.204SC..  trans-76.4164.6160.881.70000110.6E108 E109 Y110T106-E108 WeakPolarHBondContact CB-OE2 3.24Å; T106-E108 PolarHBondContact O-N 2.97Å; T106-E108 PolarHBondContact OG1-N 3.25Å; T106-E108 PolarHBondContact OG1-OE2 2.76Å; T106-E109 PolarHBondContact N-OE2 3.21Å; T106-E109 PolarHBondContact O-N 3.34Å; T106-E109 PolarHBondContact OG1-N 2.87Å; T106-Y110 WeakPolarHBondContact O-CB 2.69Å; T106-Y110 PolarHBondContact O-N 3.43Å
107D95.1Very high98.3Very high95 Ų9536.4 Ų36.451%0.50819%0.188SC..Hα-helixtrans-62.1-32.6177-63.5-32.9000112Y110 V111 R344D107-Y110 WeakPolarHBondContact O-CB 3.49Å; D107-V111 WeakPolarHBondContact O-CG2 2.93Å; D107-V111 PolarHBondContact O-N 3.31Å; D107-R344 IonicContact OD1-NH2 3.24Å; D107-R344 PolarHBondContact OD1-NH2 3.02Å
108E97.8Very high98.3Very high143 Ų14335.7 Ų35.767%0.66818%0.184SC*.Hα-helixtrans-69.8-41174.2-5781.1-174.900112.2T106 Y110 V111 W112T106-E108 WeakPolarHBondContact CB-OE2 3.24Å; T106-E108 PolarHBondContact O-N 2.97Å; T106-E108 PolarHBondContact OG1-N 3.25Å; T106-E108 PolarHBondContact OG1-OE2 2.76Å; E108-Y110 VanDerWaalsContact C-N 3.33Å; E108-V111 PolarHBondContact O-N 3.24Å; E108-W112 WeakPolarHBondContact O-CB 3.28Å; E108-W112 PolarHBondContact O-N 2.86Å
109E98.6Very high98.2Very high58 Ų5840.1 Ų40.127%0.27120%0.199SC..Hα-helixtrans-65.8-38.6177.1-69.6-174.4124.200111.4K8 W102 E105 T106 W112 C113K8-E109 IonicContact NZ-OE1 3.98Å; K8-E109 PolarHBondContact NZ-OE1 3.28Å; K8-E109 VanDerWaalsContact NZ-OE1 3.16Å; W102-E109 HydrophobicContact CH2-CB 4.2Å; W102-E109 HydrophobicContact CZ2-CB 3.75Å; W102-E109 HydrophobicContact CZ2-CG 4.01Å; W102-E109 WeakPolarHBondContact CZ2-OE1 3.04Å; W102-E109 WeakPolarHBondContact CZ2-OE2 3.38Å; E105-E109 HydrophobicContact CB-CB 4.33Å; T106-E109 PolarHBondContact N-OE2 3.21Å; T106-E109 PolarHBondContact O-N 3.34Å; T106-E109 PolarHBondContact OG1-N 2.87Å; E109-W112 WeakPolarHBondContact O-CB 3.43Å; E109-W112 PolarHBondContact O-N 2.89Å; E109-C113 WeakPolarHBondContact O-CB 3.26Å; E109-C113 PolarHBondContact O-N 3.44Å; E109-C113 PolarHBondContact O-SG 3.27Å
110Y98.5Very high98.1Very high23 Ų2340.6 Ų40.69%0.0920%0.202CC..Hα-helixtrans-55.5-53.8173.9175.2-109000112.1S78 C79 I81 T106 D107 E108 W112 C113 I114 D135S78-Y110 VanDerWaalsContact O-CE2 3.23Å; S78-Y110 WeakPolarHBondContact O-CE2 3.26Å; C79-Y110 WeakPolarHBondContact CA-OH 3.39Å; C79-Y110 PolarHBondContact O-OH 3.29Å; I81-Y110 HydrophobicContact CG2-CD2 4.03Å; I81-Y110 HydrophobicContact CG2-CG 4.02Å; T106-Y110 WeakPolarHBondContact O-CB 2.69Å; T106-Y110 PolarHBondContact O-N 3.43Å; D107-Y110 WeakPolarHBondContact O-CB 3.49Å; E108-Y110 VanDerWaalsContact C-N 3.33Å; Y110-W112 VanDerWaalsContact C-N 3.31Å; Y110-W112 PolarHBondContact O-N 2.87Å; Y110-C113 WeakPolarHBondContact O-CB 3.27Å; Y110-C113 PolarHBondContact O-N 3.42Å; Y110-I114 HydrophobicContact CD1-CD1 4.32Å; Y110-I114 HydrophobicContact CE1-CD1 3.77Å; Y110-I114 HydrophobicContact CE2-CD1 4.28Å; Y110-I114 PolarHBondContact O-N 3.42Å; Y110-D135 WeakPolarHBondContact CE1-OD2 3.39Å; Y110-D135 PolarHBondContact OH-OD2 2.93Å
111V98.4Very high97.4Very high60 Ų6050.2 Ų50.236%0.36424%0.238SC..Hα-helixtrans-62.3-41.6177.8176.10000110.8D107 E108 C113 I114 E115D107-V111 WeakPolarHBondContact O-CG2 2.93Å; D107-V111 PolarHBondContact O-N 3.31Å; E108-V111 PolarHBondContact O-N 3.24Å; V111-C113 VanDerWaalsContact C-N 3.31Å; V111-C113 PolarHBondContact O-N 3.2Å; V111-I114 PolarHBondContact O-N 3.27Å; V111-E115 WeakPolarHBondContact O-CG 3.43Å; V111-E115 PolarHBondContact O-N 2.78Å
112W98.6Very high96.6Very high73 Ų7356 Ų5628%0.27727%0.269SS..Hα-helixtrans-59.7-40.8176.3172.989000112.2L5 K8 Y100 W102 E108 E109 Y110 E115 Q116L5-W112 HydrophobicContact CD1-CH2 4.09Å; L5-W112 HydrophobicContact CD1-CZ2 4.16Å; K8-W112 HydrophobicContact CB-CH2 3.97Å; K8-W112 HydrophobicContact CB-CZ3 4.12Å; K8-W112 HydrophobicContact CD-CH2 3.65Å; K8-W112 HydrophobicContact CD-CZ3 3.63Å; K8-W112 HydrophobicContact CG-CH2 4.43Å; K8-W112 HydrophobicContact CG-CZ3 4.47Å; Y100-W112 AromaticContact CD1-CH2 3.85Å; Y100-W112 HydrophobicContact CD1-CH2 3.85Å; Y100-W112 HydrophobicContact CD1-CZ3 4.07Å; Y100-W112 HydrophobicContact CE1-CH2 4.46Å; W102-W112 HydrophobicContact CH2-CE3 4.34Å; W102-W112 HydrophobicContact CH2-CZ3 4.12Å; W102-W112 HydrophobicContact CZ3-CZ3 4.26Å; E108-W112 WeakPolarHBondContact O-CB 3.28Å; E108-W112 PolarHBondContact O-N 2.86Å; E109-W112 WeakPolarHBondContact O-CB 3.43Å; E109-W112 PolarHBondContact O-N 2.89Å; Y110-W112 VanDerWaalsContact C-N 3.31Å; Y110-W112 PolarHBondContact O-N 2.87Å; W112-E115 PolarHBondContact O-N 3.32Å; W112-Q116 HydrophobicContact CD2-CG 3.98Å; W112-Q116 HydrophobicContact CE3-CG 4.09Å; W112-Q116 HydrophobicContact CH2-CG 3.69Å; W112-Q116 HydrophobicContact CZ2-CG 3.57Å; W112-Q116 HydrophobicContact CZ3-CG 3.95Å; W112-Q116 VanDerWaalsContact NE1-NE2 3.19Å; W112-Q116 VanDerWaalsContact O-CG 3.31Å; W112-Q116 WeakPolarHBondContact O-CG 3.31Å; W112-Q116 PolarHBondContact O-N 3Å; W112-Q116 PolarHBondContact O-NE2 3.49Å
113C98.8Very high96.1Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-60.2-46.3177.2-78.20000111.3Y100 W102 E109 Y110 V111 E115 Q116Y100-C113 VanDerWaalsContact C-SG 3.59Å; Y100-C113 VanDerWaalsContact O-CB 3.28Å; Y100-C113 WeakPolarHBondContact O-CB 3.31Å; Y100-C113 PolarHBondContact O-SG 2.78Å; W102-C113 VanDerWaalsContact CH2-SG 3.59Å; W102-C113 VanDerWaalsContact CZ3-SG 3.55Å; E109-C113 WeakPolarHBondContact O-CB 3.26Å; E109-C113 PolarHBondContact O-N 3.44Å; E109-C113 PolarHBondContact O-SG 3.27Å; Y110-C113 WeakPolarHBondContact O-CB 3.27Å; Y110-C113 PolarHBondContact O-N 3.42Å; V111-C113 VanDerWaalsContact C-N 3.31Å; V111-C113 PolarHBondContact O-N 3.2Å; C113-E115 VanDerWaalsContact C-N 3.34Å; C113-E115 PolarHBondContact O-N 3.22Å; C113-Q116 WeakPolarHBondContact O-CB 3.39Å; C113-Q116 PolarHBondContact O-N 3.35Å
114I98.8Very high96Very high6 Ų654.9 Ų54.93%0.03128%0.282CS..Hα-helixtrans-60.7-45.4176.3-57.2172.1000110.1Y110 V111 Q116 T117 D135 L136 L139Y110-I114 HydrophobicContact CD1-CD1 4.32Å; Y110-I114 HydrophobicContact CE1-CD1 3.77Å; Y110-I114 HydrophobicContact CE2-CD1 4.28Å; Y110-I114 PolarHBondContact O-N 3.42Å; V111-I114 PolarHBondContact O-N 3.27Å; I114-Q116 PolarHBondContact O-N 3.33Å; I114-T117 WeakPolarHBondContact O-CB 3.38Å; I114-T117 PolarHBondContact O-N 3.49Å; I114-T117 PolarHBondContact O-OG1 2.78Å; I114-D135 HydrophobicContact CD1-CB 4.16Å; I114-L136 HydrophobicContact CG2-CB 4.1Å; I114-L136 HydrophobicContact CG2-CD1 3.71Å; I114-L136 HydrophobicContact CG2-CG 4.45Å; I114-L139 HydrophobicContact CB-CD2 4.13Å; I114-L139 HydrophobicContact CG2-CD2 3.51Å
115E98.4Very high96Very high44 Ų4455.1 Ų55.121%0.20628%0.277CS..Hα-helixtrans-59.7-32.5178.4-72.4-17716300113.2V111 W112 C113 T117 L118 L139 K143 Y144V111-E115 WeakPolarHBondContact O-CG 3.43Å; V111-E115 PolarHBondContact O-N 2.78Å; W112-E115 PolarHBondContact O-N 3.32Å; C113-E115 VanDerWaalsContact C-N 3.34Å; C113-E115 PolarHBondContact O-N 3.22Å; E115-T117 PolarHBondContact O-N 3.11Å; E115-L118 WeakPolarHBondContact O-CG 3.21Å; E115-L118 PolarHBondContact O-N 3.37Å; E115-L139 HydrophobicContact CG-CD2 4.03Å; E115-K143 WeakPolarHBondContact OE1-CE 3.29Å; E115-K143 IonicContact OE1-NZ 2.66Å; E115-K143 PolarHBondContact OE1-NZ 2.87Å; E115-Y144 HydrophobicContact CG-CE2 4.44Å; E115-Y144 PolarHBondContact OE1-OH 3.17Å; E115-Y144 VanDerWaalsContact OE1-OH 3.13Å
116Q98.3Very high96Very high35 Ų3554.8 Ų54.816%0.16428%0.275CS..Hα-helixtrans-65.6-20.1176.8-62-37.5-71.500112.9K4 Q75 Y100 W112 C113 I114K4-Q116 WeakPolarHBondContact CE-O 3.47Å; K4-Q116 PolarHBondContact NZ-O 3.34Å; Q75-Q116 PolarHBondContact NE2-O 3.02Å; Y100-Q116 HydrophobicContact CD1-CB 3.72Å; Y100-Q116 HydrophobicContact CD1-CG 3.7Å; Y100-Q116 HydrophobicContact CD2-CB 3.41Å; Y100-Q116 VanDerWaalsContact CD2-CB 3.41Å; Y100-Q116 HydrophobicContact CD2-CG 4.3Å; Y100-Q116 HydrophobicContact CE1-CB 3.76Å; Y100-Q116 HydrophobicContact CE1-CG 3.87Å; Y100-Q116 HydrophobicContact CE2-CB 3.45Å; Y100-Q116 VanDerWaalsContact CE2-CB 3.45Å; Y100-Q116 HydrophobicContact CE2-CG 4.44Å; Y100-Q116 HydrophobicContact CG-CB 3.54Å; Y100-Q116 HydrophobicContact CG-CG 3.92Å; W112-Q116 HydrophobicContact CD2-CG 3.98Å; W112-Q116 HydrophobicContact CE3-CG 4.09Å; W112-Q116 HydrophobicContact CH2-CG 3.69Å; W112-Q116 HydrophobicContact CZ2-CG 3.57Å; W112-Q116 HydrophobicContact CZ3-CG 3.95Å; W112-Q116 VanDerWaalsContact NE1-NE2 3.19Å; W112-Q116 VanDerWaalsContact O-CG 3.31Å; W112-Q116 WeakPolarHBondContact O-CG 3.31Å; W112-Q116 PolarHBondContact O-N 3Å; W112-Q116 PolarHBondContact O-NE2 3.49Å; C113-Q116 WeakPolarHBondContact O-CB 3.39Å; C113-Q116 PolarHBondContact O-N 3.35Å; I114-Q116 PolarHBondContact O-N 3.33Å
117T98.6Very high96.1Very high0 Ų052.2 Ų52.20%026%0.259CS..THydrogen-bonded Turntrans-82-11.4-178.672.30000113.8Q75 Y100 I114 E115Q75-T117 HydrophobicContact CB-CG2 4.44Å; Q75-T117 PolarHBondContact NE2-O 3.35Å; Y100-T117 HydrophobicContact CD2-CG2 4.46Å; I114-T117 WeakPolarHBondContact O-CB 3.38Å; I114-T117 PolarHBondContact O-N 3.49Å; I114-T117 PolarHBondContact O-OG1 2.78Å; E115-T117 PolarHBondContact O-N 3.11Å
118L98.5Very high96.2Very high1 Ų147.7 Ų47.71%0.00524%0.235CC..SBendtrans-74.9-29.4-167.8-60.8180000115.2E115 P125 L126 L136 V140 Y144 L147E115-L118 WeakPolarHBondContact O-CG 3.21Å; E115-L118 PolarHBondContact O-N 3.37Å; L118-P125 CarbonylContact O-C 3.54Å; L118-P125 WeakPolarHBondContact O-CA 3.28Å; L118-L126 HydrophobicContact CB-CD2 4.33Å; L118-L126 HydrophobicContact CD2-CD1 4.33Å; L118-L126 HydrophobicContact CD2-CD2 4.02Å; L118-L126 WeakPolarHBondContact O-CD2 3.45Å; L118-L126 PolarHBondContact O-N 3.28Å; L118-L136 HydrophobicContact CD2-CD1 3.71Å; L118-V140 HydrophobicContact CD2-CG2 3.94Å; L118-Y144 HydrophobicContact CD1-CD1 4.18Å; L118-Y144 HydrophobicContact CD1-CD2 3.65Å; L118-Y144 HydrophobicContact CD1-CE1 4.09Å; L118-Y144 HydrophobicContact CD1-CE2 3.55Å; L118-Y144 HydrophobicContact CD1-CG 3.97Å; L118-L147 HydrophobicContact CB-CD1 4.48Å
119Y97.9Very high96.3Very high103 Ų10340.9 Ų40.940%0.40420%0.203SC..BIsolated β-bridgetrans-123.3136.1-176.3-64.5-84.7000110.8K4 Q75 P125 L147K4-Y119 PolarHBondContact NZ-O 3.22Å; Q75-Y119 PolarHBondContact NE2-O 3.45Å; Q75-Y119 PolarHBondContact OE1-O 2.96Å; Y119-P125 HydrophobicContact CD1-CB 4.33Å; Y119-P125 HydrophobicContact CE1-CB 4.3Å; Y119-L147 HydrophobicContact CE1-CD2 4.38Å
120F96.5Very high96.3Very high11 Ų1138.1 Ų38.15%0.04819%0.19CC..  trans-96.2178.9-177.4-75.9-113.3000111.2R49 E73 Q75 D122 G123 A124 L126R49-F120 VanDerWaalsContact C-CZ 3.47Å; R49-F120 HydrophobicContact CB-CD1 4Å; R49-F120 HydrophobicContact CB-CD2 3.91Å; R49-F120 HydrophobicContact CB-CE1 3.81Å; R49-F120 HydrophobicContact CB-CE2 3.75Å; R49-F120 HydrophobicContact CB-CG 4.07Å; R49-F120 HydrophobicContact CB-CZ 3.7Å; R49-F120 HydrophobicContact CG-CD1 3.98Å; R49-F120 HydrophobicContact CG-CD2 4.41Å; R49-F120 HydrophobicContact CG-CE1 4.21Å; R49-F120 HydrophobicContact CG-CG 4.1Å; E73-F120 HydrophobicContact CB-CD1 3.83Å; E73-F120 HydrophobicContact CB-CE1 3.76Å; E73-F120 WeakPolarHBondContact O-CE1 3.31Å; Q75-F120 HydrophobicContact CB-CZ 4.2Å; Q75-F120 HydrophobicContact CG-CD1 4.07Å; Q75-F120 HydrophobicContact CG-CE1 3.68Å; Q75-F120 HydrophobicContact CG-CE2 4.21Å; Q75-F120 HydrophobicContact CG-CG 4.49Å; Q75-F120 HydrophobicContact CG-CZ 3.74Å; F120-D122 VanDerWaalsContact C-N 3.25Å; F120-D122 PolarHBondContact O-N 2.75Å; F120-D122 VanDerWaalsContact O-N 3.16Å; F120-G123 WeakPolarHBondContact O-CA 3.44Å; F120-G123 PolarHBondContact O-N 3.01Å; F120-A124 PolarHBondContact N-O 3.07Å; F120-L126 HydrophobicContact CE2-CB 4.11Å
121R82.5Confident96.3Very high204 Ų20437 Ų3777%0.7719%0.186SC*.THydrogen-bonded Turntrans-60-27.6-167.3-71.1-175.3-179.91772.4114.9G96 G123G96-R121 PolarHBondContact O-NH2 2.91Å; R121-G123 VanDerWaalsContact C-N 3.31Å
122D82.1Confident96.3Very high121 Ų12134.5 Ų34.565%0.64717%0.17SC*.THydrogen-bonded Turntrans-89.24.4176.663.1-13.2000113.2F120 A124F120-D122 VanDerWaalsContact C-N 3.25Å; F120-D122 PolarHBondContact O-N 2.75Å; F120-D122 VanDerWaalsContact O-N 3.16Å; D122-A124 PolarHBondContact O-N 3.23Å; D122-A124 WeakPolarHBondContact OD1-CB 3.33Å; D122-A124 PolarHBondContact OD1-N 2.93Å; D122-A124 WeakPolarHBondContact OD2-CB 3.31Å
123G89.4Confident96.2Very high49 Ų4931.1 Ų31.151%0.50516%0.158SC..SBendtrans78.90.1-171.700000113.6F120 R121F120-G123 WeakPolarHBondContact O-CA 3.44Å; F120-G123 PolarHBondContact O-N 3.01Å; R121-G123 VanDerWaalsContact C-N 3.31Å
124A95.3Very high96.1Very high19 Ų1931.2 Ų31.216%0.15716%0.159CC..PPolyproline II helixtrans-67.8136.317600000110.1F120 D122F120-A124 PolarHBondContact N-O 3.07Å; D122-A124 PolarHBondContact O-N 3.23Å; D122-A124 WeakPolarHBondContact OD1-CB 3.33Å; D122-A124 PolarHBondContact OD1-N 2.93Å; D122-A124 WeakPolarHBondContact OD2-CB 3.31Å
125P98.2Very high96.1Very high42 Ų4232.9 Ų32.927%0.27317%0.168SC..BIsolated β-bridgetrans-72.3161177.431.5-35.5000111.1R49 L118 Y119 L147R49-P125 VanDerWaalsContact CZ-O 3.32Å; R49-P125 PolarHBondContact NE-O 3.1Å; R49-P125 PolarHBondContact NH2-O 3.14Å; L118-P125 CarbonylContact O-C 3.54Å; L118-P125 WeakPolarHBondContact O-CA 3.28Å; Y119-P125 HydrophobicContact CD1-CB 4.33Å; Y119-P125 HydrophobicContact CE1-CB 4.3Å; P125-L147 HydrophobicContact CB-CD2 3.71Å; P125-L147 HydrophobicContact CG-CD2 4.32Å
126L98.6Very high96.1Very high0 Ų030.8 Ų30.80%016%0.158CC..PPolyproline II helixtrans-47.4146.2165.377165.1000111.1A51 L118 F120 I129 V140 L147 I151A51-L126 HydrophobicContact CB-CB 3.92Å; A51-L126 HydrophobicContact CB-CD1 3.59Å; A51-L126 HydrophobicContact CB-CG 4.39Å; L118-L126 HydrophobicContact CB-CD2 4.33Å; L118-L126 HydrophobicContact CD2-CD1 4.33Å; L118-L126 HydrophobicContact CD2-CD2 4.02Å; L118-L126 WeakPolarHBondContact O-CD2 3.45Å; L118-L126 PolarHBondContact O-N 3.28Å; F120-L126 HydrophobicContact CE2-CB 4.11Å; L126-I129 HydrophobicContact CD1-CD1 4.17Å; L126-I129 HydrophobicContact CD1-CG1 3.61Å; L126-V140 HydrophobicContact CD1-CG2 4.42Å; L126-L147 HydrophobicContact CD2-CB 4.48Å; L126-L147 HydrophobicContact CD2-CD1 3.72Å; L126-I151 HydrophobicContact CD1-CD1 4.18Å; L126-I151 HydrophobicContact CD2-CD1 4.33Å; L126-I151 HydrophobicContact CG-CD1 4.1Å; L126-I151 HydrophobicContact CG-CG1 4.24Å
127N98.7Very high96.1Very high9 Ų929.1 Ų29.15%0.04815%0.15CC..  trans-127.92.217465.120000113G47 R49 G150 I151 R152 W374G47-N127 PolarHBondContact O-ND2 3.48Å; R49-N127 VanDerWaalsContact CZ-ND2 3.32Å; R49-N127 PolarHBondContact N-OD1 2.78Å; R49-N127 PolarHBondContact NH1-ND2 3.08Å; R49-N127 PolarHBondContact NH2-ND2 3.33Å; R49-N127 PolarHBondContact O-N 3.41Å; R49-N127 PolarHBondContact O-OD1 3.47Å; N127-G150 WeakPolarHBondContact CA-O 3.27Å; N127-G150 VanDerWaalsContact CB-O 3.25Å; N127-G150 WeakPolarHBondContact CB-O 3.18Å; N127-I151 CarbonylContact O-C 3.55Å; N127-I151 WeakPolarHBondContact O-CA 3.21Å; N127-R152 PolarHBondContact O-N 2.91Å; N127-W374 HydrophobicContact CB-CZ3 4.42Å; N127-W374 WeakPolarHBondContact ND2-CH2 3.36Å
128M98.9Very high96.1Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-146.5143.2176.1-73.4-60.5-63.200108.5A48 R49 I50 A51 R152 L373 W374A48-M128 HydrophobicContact CB-CG 4.33Å; R49-M128 PolarHBondContact O-N 3.4Å; I50-M128 HydrophobicContact CB-CB 4.42Å; I50-M128 HydrophobicContact CG1-CB 3.86Å; I50-M128 HydrophobicContact CG1-CG 4.48Å; A51-M128 PolarHBondContact N-O 3.29Å; A51-M128 VanDerWaalsContact N-O 3.1Å; M128-R152 HydrophobicContact SD-CB 3.73Å; M128-L373 HydrophobicContact CE-CB 3.65Å; M128-L373 HydrophobicContact CE-CD1 4.2Å; M128-L373 HydrophobicContact SD-CB 4.47Å; M128-W374 HydrophobicContact CG-CE3 3.78Å; M128-W374 HydrophobicContact CG-CZ3 4.32Å; M128-W374 HydrophobicContact SD-CE3 3.98Å
129I98.9Very high96.1Very high0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-115.3136.9172.5-66.1176.8000108.6L126 D131 L136 V140 I151 G153 V154 S155 M176 Q370L126-I129 HydrophobicContact CD1-CD1 4.17Å; L126-I129 HydrophobicContact CD1-CG1 3.61Å; I129-D131 HydrophobicContact CG2-CB 3.86Å; I129-L136 HydrophobicContact CD1-CG 4.36Å; I129-L136 HydrophobicContact CG1-CD2 4.38Å; I129-L136 HydrophobicContact CG1-CG 4.41Å; I129-L136 HydrophobicContact CG2-CD2 3.82Å; I129-L136 HydrophobicContact CG2-CG 4.01Å; I129-V140 HydrophobicContact CD1-CB 4.48Å; I129-V140 HydrophobicContact CD1-CG2 4.13Å; I129-I151 HydrophobicContact CD1-CD1 4.14Å; I129-I151 HydrophobicContact CD1-CG2 4.43Å; I129-I151 HydrophobicContact CG1-CG2 4.25Å; I129-G153 PolarHBondContact N-O 3.12Å; I129-V154 HydrophobicContact CB-CB 3.93Å; I129-V154 HydrophobicContact CB-CG2 3.91Å; I129-V154 HydrophobicContact CG2-CB 4.13Å; I129-V154 HydrophobicContact CG2-CG2 3.54Å; I129-V154 WeakPolarHBondContact O-CA 3.34Å; I129-S155 PolarHBondContact O-N 3.1Å; I129-S155 VanDerWaalsContact O-N 3.15Å; I129-M176 HydrophobicContact CD1-CE 3.77Å; I129-M176 HydrophobicContact CD1-SD 4.1Å; I129-Q370 PolarHBondContact O-NE2 2.91Å
130L98.9Very high96.2Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-121.2115.8163.2-172.4159.5000106.9I50 A51 G52 C53 L54 L63 L67 W76 Q366 Q370I50-L130 HydrophobicContact CG2-CB 3.97Å; A51-L130 PolarHBondContact O-N 3.06Å; G52-L130 WeakPolarHBondContact CA-O 3.15Å; C53-L130 PolarHBondContact N-O 2.85Å; L54-L130 HydrophobicContact CB-CD2 4.31Å; L54-L130 HydrophobicContact CD1-CD2 3.66Å; L63-L130 HydrophobicContact CD2-CD1 4.15Å; L63-L130 HydrophobicContact CD2-CD2 4.48Å; L67-L130 HydrophobicContact CD1-CD1 4.02Å; W76-L130 HydrophobicContact CH2-CD1 4Å; W76-L130 HydrophobicContact CH2-CD2 3.85Å; W76-L130 HydrophobicContact CH2-CG 4.37Å; W76-L130 HydrophobicContact CZ2-CD2 4.06Å; L130-Q366 HydrophobicContact CD1-CB 4.09Å; L130-Q366 HydrophobicContact CD1-CG 4.43Å; L130-Q370 HydrophobicContact CD1-CG 4.19Å
131D98.8Very high96.3Very high0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-127.2151.2-166.1-143.3-8.1000111.5I129 G134 L136 T137 V154 S155 E156 E157I129-D131 HydrophobicContact CG2-CB 3.86Å; D131-G134 VanDerWaalsContact OD2-CA 3.26Å; D131-G134 WeakPolarHBondContact OD2-CA 3.31Å; D131-L136 PolarHBondContact OD2-N 3.4Å; D131-T137 WeakPolarHBondContact OD2-CB 3.44Å; D131-T137 PolarHBondContact OD2-N 3.33Å; D131-T137 PolarHBondContact OD2-OG1 3.27Å; D131-V154 HydrophobicContact CB-CG2 4.03Å; D131-S155 PolarHBondContact N-O 2.84Å; D131-E156 WeakPolarHBondContact CB-OE2 3.26Å; D131-E156 WeakPolarHBondContact O-CA 3.45Å; D131-E157 PolarHBondContact O-N 3.27Å
132D98.4Very high97Very high8 Ų824.9 Ų24.94%0.04315%0.145CC..SBendtrans-138.5103.8171.7-177.2-20.7000107.9C53 L54 H55 C79 E156 E157 T158 H302C53-D132 PolarHBondContact O-N 3.47Å; L54-D132 HydrophobicContact CB-CB 4.1Å; L54-D132 HydrophobicContact CD1-CB 3.96Å; L54-D132 HydrophobicContact CG-CB 3.7Å; H55-D132 IonicContact CD2-OD2 2.62Å; H55-D132 IonicContact NE2-OD2 3.44Å; C79-D132 VanDerWaalsContact CB-O 3.26Å; C79-D132 WeakPolarHBondContact CB-O 3.4Å; D132-E156 WeakPolarHBondContact CA-OE1 3.42Å; D132-E157 HydrophobicContact CB-CB 3.98Å; D132-T158 WeakPolarHBondContact OD1-CG2 3.43Å; D132-T158 PolarHBondContact OD1-OG1 2.72Å; D132-T158 VanDerWaalsContact OD1-OG1 3.06Å; D132-H302 PolarHBondContact O-CE1 2.95Å; D132-H302 IonicContact OD1-CE1 2.68Å; D132-H302 PolarHBondContact OD1-CE1 3.4Å; D132-H302 IonicContact OD1-ND1 3.93Å; D132-H302 PolarHBondContact OD1-ND1 2.97Å
133G95.1Very high97.8Very high2 Ų224.9 Ų24.92%0.02114%0.139CC..SBendtrans104.7-19.4-17800000114.5E156 T158 G161 H302G133-E156 PolarHBondContact N-OE1 2.86Å; G133-E156 PolarHBondContact N-OE2 2.92Å; G133-T158 PolarHBondContact N-OG1 2.84Å; G133-G161 WeakPolarHBondContact O-CA 3.39Å; G133-H302 WeakPolarHBondContact CA-CE1 3.39Å; G133-H302 WeakPolarHBondContact CA-NE2 3.25Å
134G97.8Very high98.2Very high1 Ų125 Ų251%0.0112%0.124CC..SBendtrans8810.4175.400000115.2D131 T137 N138 E156D131-G134 VanDerWaalsContact OD2-CA 3.26Å; D131-G134 WeakPolarHBondContact OD2-CA 3.31Å; G134-T137 PolarHBondContact O-N 3.48Å; G134-N138 VanDerWaalsContact O-CB 3.3Å; G134-N138 WeakPolarHBondContact O-CB 3.39Å; G134-N138 PolarHBondContact O-N 2.74Å; G134-N138 PolarHBondContact O-ND2 2.98Å; G134-N138 VanDerWaalsContact O-ND2 3.08Å; G134-E156 WeakPolarHBondContact CA-OE2 3.22Å; G134-E156 PolarHBondContact N-OE2 3.48Å
135D98.4Very high98.3Very high41 Ų4127.2 Ų27.222%0.21914%0.137CC..Hα-helixtrans-67.3-44-176.1-83.9-10.8000112.3Y110 I114 N138 L139Y110-D135 WeakPolarHBondContact CE1-OD2 3.39Å; Y110-D135 PolarHBondContact OH-OD2 2.93Å; I114-D135 HydrophobicContact CD1-CB 4.16Å; D135-N138 PolarHBondContact O-N 3.49Å; D135-L139 VanDerWaalsContact O-CB 3.3Å; D135-L139 WeakPolarHBondContact O-CB 3.43Å; D135-L139 PolarHBondContact O-N 3.33Å
136L98.8Very high98.3Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-65.7-42175.617256.7000110.8A51 C53 I114 L118 I129 D131 N138 L139 V140A51-L136 HydrophobicContact CB-CD2 3.77Å; A51-L136 WeakPolarHBondContact O-CD2 3.44Å; C53-L136 HydrophobicContact CB-CB 3.59Å; C53-L136 HydrophobicContact CB-CD2 4.04Å; C53-L136 HydrophobicContact CB-CG 4.46Å; I114-L136 HydrophobicContact CG2-CB 4.1Å; I114-L136 HydrophobicContact CG2-CD1 3.71Å; I114-L136 HydrophobicContact CG2-CG 4.45Å; L118-L136 HydrophobicContact CD2-CD1 3.71Å; I129-L136 HydrophobicContact CD1-CG 4.36Å; I129-L136 HydrophobicContact CG1-CD2 4.38Å; I129-L136 HydrophobicContact CG1-CG 4.41Å; I129-L136 HydrophobicContact CG2-CD2 3.82Å; I129-L136 HydrophobicContact CG2-CG 4.01Å; D131-L136 PolarHBondContact OD2-N 3.4Å; L136-N138 PolarHBondContact O-N 2.88Å; L136-L139 PolarHBondContact O-N 2.92Å; L136-V140 HydrophobicContact CD1-CG2 3.9Å; L136-V140 VanDerWaalsContact O-CG2 3.24Å; L136-V140 WeakPolarHBondContact O-CG2 3.43Å; L136-V140 PolarHBondContact O-N 2.78Å
137T98.8Very high98.3Very high0 Ų035.5 Ų35.50%017%0.17CC..Hα-helixtrans-57.4-48.6174.9-63.90000111.2D131 G134 V140 H141 L165 M168D131-T137 WeakPolarHBondContact OD2-CB 3.44Å; D131-T137 PolarHBondContact OD2-N 3.33Å; D131-T137 PolarHBondContact OD2-OG1 3.27Å; G134-T137 PolarHBondContact O-N 3.48Å; T137-V140 PolarHBondContact O-N 3.4Å; T137-H141 PolarHBondContact O-N 3.4Å; T137-H141 PolarHBondContact O-ND1 2.93Å; T137-L165 HydrophobicContact CG2-CD2 4.02Å; T137-M168 HydrophobicContact CG2-CE 4.49Å; T137-M168 HydrophobicContact CG2-SD 4.47Å
138N98.6Very high98.3Very high30 Ų3035.9 Ų35.916%0.1617%0.172CC..Hα-helixtrans-64.7-46.1179.2-75.6-33.2000111.5G134 D135 L136 V140 H141 Q142 N164G134-N138 VanDerWaalsContact O-CB 3.3Å; G134-N138 WeakPolarHBondContact O-CB 3.39Å; G134-N138 PolarHBondContact O-N 2.74Å; G134-N138 PolarHBondContact O-ND2 2.98Å; G134-N138 VanDerWaalsContact O-ND2 3.08Å; D135-N138 PolarHBondContact O-N 3.49Å; L136-N138 PolarHBondContact O-N 2.88Å; N138-V140 VanDerWaalsContact C-N 3.31Å; N138-V140 PolarHBondContact O-N 2.82Å; N138-H141 PolarHBondContact O-N 3.29Å; N138-Q142 VanDerWaalsContact O-CB 3.29Å; N138-Q142 WeakPolarHBondContact O-CB 3.45Å; N138-Q142 VanDerWaalsContact O-CG 3.23Å; N138-Q142 WeakPolarHBondContact O-CG 3.42Å; N138-Q142 PolarHBondContact O-N 3.04Å; N138-N164 PolarHBondContact ND2-ND2 3.43Å; N138-N164 VanDerWaalsContact ND2-ND2 3.18Å; N138-N164 PolarHBondContact OD1-ND2 2.94Å
139L98.6Very high98.3Very high26 Ų2641.6 Ų41.614%0.13621%0.209CC..Hα-helixtrans-56.4-46.1177.7-175.973.3000111.1I114 E115 D135 L136 K143 Y144I114-L139 HydrophobicContact CB-CD2 4.13Å; I114-L139 HydrophobicContact CG2-CD2 3.51Å; E115-L139 HydrophobicContact CG-CD2 4.03Å; D135-L139 VanDerWaalsContact O-CB 3.3Å; D135-L139 WeakPolarHBondContact O-CB 3.43Å; D135-L139 PolarHBondContact O-N 3.33Å; L136-L139 PolarHBondContact O-N 2.92Å; L139-K143 HydrophobicContact CD1-CB 4.23Å; L139-K143 HydrophobicContact CD1-CD 4Å; L139-K143 WeakPolarHBondContact O-CA 3.44Å; L139-K143 WeakPolarHBondContact O-CB 3.28Å; L139-K143 PolarHBondContact O-N 3.21Å; L139-Y144 HydrophobicContact CD1-CE2 4.28Å; L139-Y144 HydrophobicContact CD2-CE2 4.31Å; L139-Y144 HydrophobicContact CG-CD2 4.17Å; L139-Y144 HydrophobicContact CG-CE2 4.07Å; L139-Y144 PolarHBondContact O-N 2.96Å
140V98.6Very high98.2Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-65.6-45.7178.6175.70000111.4L118 L126 I129 L136 T137 N138 Q142 Y144 P145 L147 L148 I151L118-V140 HydrophobicContact CD2-CG2 3.94Å; L126-V140 HydrophobicContact CD1-CG2 4.42Å; I129-V140 HydrophobicContact CD1-CB 4.48Å; I129-V140 HydrophobicContact CD1-CG2 4.13Å; L136-V140 HydrophobicContact CD1-CG2 3.9Å; L136-V140 VanDerWaalsContact O-CG2 3.24Å; L136-V140 WeakPolarHBondContact O-CG2 3.43Å; L136-V140 PolarHBondContact O-N 2.78Å; T137-V140 PolarHBondContact O-N 3.4Å; N138-V140 VanDerWaalsContact C-N 3.31Å; N138-V140 PolarHBondContact O-N 2.82Å; V140-Q142 VanDerWaalsContact C-N 3.35Å; V140-Q142 PolarHBondContact O-N 3.33Å; V140-Y144 CarbonylContact O-C 3.6Å; V140-Y144 WeakPolarHBondContact O-CA 3.18Å; V140-Y144 PolarHBondContact O-N 3.34Å; V140-Y144 VanDerWaalsContact O-N 3.16Å; V140-P145 VanDerWaalsContact O-N 3.17Å; V140-L147 HydrophobicContact CG1-CB 4.4Å; V140-L148 HydrophobicContact CG1-CD2 3.75Å; V140-L148 HydrophobicContact CG1-CG 4.24Å; V140-I151 HydrophobicContact CG1-CD1 3.62Å
141H98.6Very high98.2Very high25 Ų2544.1 Ų44.112%0.11623%0.231CC..Hα-helixtrans-64.9-38-179.6-78.584.4000112.9T137 N138 M168 D173 K175 M176T137-H141 PolarHBondContact O-N 3.4Å; T137-H141 PolarHBondContact O-ND1 2.93Å; N138-H141 PolarHBondContact O-N 3.29Å; H141-M168 HydrophobicContact CB-CE 3.99Å; H141-M168 VanDerWaalsContact CD2-CE 3.48Å; H141-M168 WeakPolarHBondContact CD2-CE 3.4Å; H141-M168 VanDerWaalsContact CG-CE 3.47Å; H141-D173 PolarHBondContact CD2-O 2.72Å; H141-K175 PolarHBondContact NE2-N 3.35Å; H141-K175 VanDerWaalsContact NE2-N 3.17Å; H141-M176 WeakPolarHBondContact CE1-CE 3.28Å
142Q98Very high98.2Very high150 Ų15049 Ų4970%0.70125%0.25SS*.Hα-helixtrans-90.8-44.4-171.9-63.1173.118.400112.6N138 V140N138-Q142 VanDerWaalsContact O-CB 3.29Å; N138-Q142 WeakPolarHBondContact O-CB 3.45Å; N138-Q142 VanDerWaalsContact O-CG 3.23Å; N138-Q142 WeakPolarHBondContact O-CG 3.42Å; N138-Q142 PolarHBondContact O-N 3.04Å; V140-Q142 VanDerWaalsContact C-N 3.35Å; V140-Q142 PolarHBondContact O-N 3.33Å
143K98.3Very high98.2Very high120 Ų12048.7 Ų48.752%0.52225%0.248SC..Hα-helixtrans-104-28.3-171.9-167.6174179.7-1780113.4E115 L139 P145E115-K143 WeakPolarHBondContact OE1-CE 3.29Å; E115-K143 IonicContact OE1-NZ 2.66Å; E115-K143 PolarHBondContact OE1-NZ 2.87Å; L139-K143 HydrophobicContact CD1-CB 4.23Å; L139-K143 HydrophobicContact CD1-CD 4Å; L139-K143 WeakPolarHBondContact O-CA 3.44Å; L139-K143 WeakPolarHBondContact O-CB 3.28Å; L139-K143 PolarHBondContact O-N 3.21Å; K143-P145 WeakPolarHBondContact O-CD 3.45Å
144Y98.3Very high98.3Very high52 Ų5248.6 Ų48.620%0.20425%0.247CC..  trans-124.147-178.2-57.1-88.1000114E115 L118 L139 V140 K146 L147E115-Y144 HydrophobicContact CG-CE2 4.44Å; E115-Y144 PolarHBondContact OE1-OH 3.17Å; E115-Y144 VanDerWaalsContact OE1-OH 3.13Å; L118-Y144 HydrophobicContact CD1-CD1 4.18Å; L118-Y144 HydrophobicContact CD1-CD2 3.65Å; L118-Y144 HydrophobicContact CD1-CE1 4.09Å; L118-Y144 HydrophobicContact CD1-CE2 3.55Å; L118-Y144 HydrophobicContact CD1-CG 3.97Å; L139-Y144 HydrophobicContact CD1-CE2 4.28Å; L139-Y144 HydrophobicContact CD2-CE2 4.31Å; L139-Y144 HydrophobicContact CG-CD2 4.17Å; L139-Y144 HydrophobicContact CG-CE2 4.07Å; L139-Y144 PolarHBondContact O-N 2.96Å; V140-Y144 CarbonylContact O-C 3.6Å; V140-Y144 WeakPolarHBondContact O-CA 3.18Å; V140-Y144 PolarHBondContact O-N 3.34Å; V140-Y144 VanDerWaalsContact O-N 3.16Å; Y144-K146 PolarHBondContact O-N 3.31Å; Y144-L147 HydrophobicContact CD1-CD1 4.5Å; Y144-L147 HydrophobicContact CG-CD1 4.36Å; Y144-L147 WeakPolarHBondContact O-CB 3.46Å; Y144-L147 PolarHBondContact O-N 3.28Å
145P98.2Very high98.4Very high65 Ų6548.5 Ų48.542%0.42225%0.247SC..G310 helixtrans-61.2-20.7-174.125.6-35.8000113.4V140 K143 L147 L148V140-P145 VanDerWaalsContact O-N 3.17Å; K143-P145 WeakPolarHBondContact O-CD 3.45Å; P145-L147 PolarHBondContact O-N 3.1Å; P145-L148 HydrophobicContact CB-CD1 3.98Å; P145-L148 WeakPolarHBondContact O-CB 3.28Å; P145-L148 WeakPolarHBondContact O-CG 3.49Å; P145-L148 PolarHBondContact O-N 3.2Å
146K98.2Very high98.4Very high199 Ų19946.6 Ų46.687%0.86524%0.236SC*.G310 helixtrans-64.1-21.1174.6-63.4-178.3-179.1177.30113.6Y144Y144-K146 PolarHBondContact O-N 3.31Å
147L98.5Very high98.2Very high18 Ų1846.7 Ų46.79%0.09424%0.237CC..G310 helixtrans-83.3-23.9178.6-57.5-174.9000112.4L118 Y119 P125 L126 V140 Y144 P145 P149 G150 I151L118-L147 HydrophobicContact CB-CD1 4.48Å; Y119-L147 HydrophobicContact CE1-CD2 4.38Å; P125-L147 HydrophobicContact CB-CD2 3.71Å; P125-L147 HydrophobicContact CG-CD2 4.32Å; L126-L147 HydrophobicContact CD2-CB 4.48Å; L126-L147 HydrophobicContact CD2-CD1 3.72Å; V140-L147 HydrophobicContact CG1-CB 4.4Å; Y144-L147 HydrophobicContact CD1-CD1 4.5Å; Y144-L147 HydrophobicContact CG-CD1 4.36Å; Y144-L147 WeakPolarHBondContact O-CB 3.46Å; Y144-L147 PolarHBondContact O-N 3.28Å; P145-L147 PolarHBondContact O-N 3.1Å; L147-P149 VanDerWaalsContact C-CD 3.45Å; L147-G150 PolarHBondContact O-N 2.87Å; L147-I151 HydrophobicContact CB-CD1 4.45Å
148L98.4Very high97.9Very high17 Ų1747.7 Ų47.79%0.08924%0.243CC..G310 helixtrans-51.1-44.1-174.6-65.5166000114.2V140 P145 G150 I151 K175 M176V140-L148 HydrophobicContact CG1-CD2 3.75Å; V140-L148 HydrophobicContact CG1-CG 4.24Å; P145-L148 HydrophobicContact CB-CD1 3.98Å; P145-L148 WeakPolarHBondContact O-CB 3.28Å; P145-L148 WeakPolarHBondContact O-CG 3.49Å; P145-L148 PolarHBondContact O-N 3.2Å; L148-G150 PolarHBondContact O-N 2.81Å; L148-G150 VanDerWaalsContact O-N 3.1Å; L148-I151 PolarHBondContact O-N 3.04Å; L148-I151 VanDerWaalsContact O-N 3.09Å; L148-K175 HydrophobicContact CB-CB 4.4Å; L148-K175 HydrophobicContact CD1-CB 3.98Å; L148-K175 HydrophobicContact CD1-CG 3.93Å; L148-K175 HydrophobicContact CD2-CB 4.39Å; L148-M176 HydrophobicContact CD2-CE 3.56Å
149P97.7Very high97.5Very high120 Ų12050.1 Ų50.178%0.77926%0.259SS*.G310 helixtrans-62.8-20.4-179.7-2335.3000114.3L147L147-P149 VanDerWaalsContact C-CD 3.45Å
150G97.4Very high97.2Very high41 Ų4150.5 Ų50.542%0.42326%0.263SS..G310 helixtrans-90-7.7178.800000114.4N127 L147 L148N127-G150 WeakPolarHBondContact CA-O 3.27Å; N127-G150 VanDerWaalsContact CB-O 3.25Å; N127-G150 WeakPolarHBondContact CB-O 3.18Å; L147-G150 PolarHBondContact O-N 2.87Å; L148-G150 PolarHBondContact O-N 2.81Å; L148-G150 VanDerWaalsContact O-N 3.1Å
151I98.6Very high97.1Very high11 Ų1150.5 Ų50.56%0.05626%0.263CS..  trans-96.9120.1-175.5-58.2169.7000109.3L126 N127 I129 V140 L147 L148 M176L126-I151 HydrophobicContact CD1-CD1 4.18Å; L126-I151 HydrophobicContact CD2-CD1 4.33Å; L126-I151 HydrophobicContact CG-CD1 4.1Å; L126-I151 HydrophobicContact CG-CG1 4.24Å; N127-I151 CarbonylContact O-C 3.55Å; N127-I151 WeakPolarHBondContact O-CA 3.21Å; I129-I151 HydrophobicContact CD1-CD1 4.14Å; I129-I151 HydrophobicContact CD1-CG2 4.43Å; I129-I151 HydrophobicContact CG1-CG2 4.25Å; V140-I151 HydrophobicContact CG1-CD1 3.62Å; L147-I151 HydrophobicContact CB-CD1 4.45Å; L148-I151 PolarHBondContact O-N 3.04Å; L148-I151 VanDerWaalsContact O-N 3.09Å; I151-M176 HydrophobicContact CB-SD 4.25Å; I151-M176 HydrophobicContact CD1-CE 4.25Å; I151-M176 HydrophobicContact CG2-CE 4.29Å; I151-M176 HydrophobicContact CG2-SD 3.49Å; I151-M176 WeakPolarHBondContact CG2-SD 3.47Å
152R98.4Very high97Very high104 Ų10449.6 Ų49.639%0.39226%0.258SS..  trans-78.7-21-177.8-65.1-164.7-173174.81.2113.5N127 M128 P177 W374 T377N127-R152 PolarHBondContact O-N 2.91Å; M128-R152 HydrophobicContact SD-CB 3.73Å; R152-P177 WeakPolarHBondContact O-CD 3.12Å; R152-P177 WeakPolarHBondContact O-CG 3.49Å; R152-W374 HydrophobicContact CG-CE3 4.32Å; R152-W374 HydrophobicContact CG-CZ3 4.16Å; R152-W374 VanDerWaalsContact CZ-CZ3 3.48Å; R152-W374 PolarHBondContact NH1-O 2.88Å; R152-T377 HydrophobicContact CB-CG2 4.11Å; R152-T377 HydrophobicContact CG-CG2 4.48Å
153G98.5Very high96.9Very high0 Ų048.8 Ų48.80%025%0.254CS..  trans167.4177.2171.500000114I129 P177I129-G153 PolarHBondContact N-O 3.12Å; G153-P177 CarbonylContact C-O 3.47Å; G153-P177 WeakPolarHBondContact CA-O 3.2Å
154V98.8Very high96.9Very high0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-123.9140.1174.756.10000110.8I129 D131 L165 M176 P177 A178 I179 L373I129-V154 HydrophobicContact CB-CB 3.93Å; I129-V154 HydrophobicContact CB-CG2 3.91Å; I129-V154 HydrophobicContact CG2-CB 4.13Å; I129-V154 HydrophobicContact CG2-CG2 3.54Å; I129-V154 WeakPolarHBondContact O-CA 3.34Å; D131-V154 HydrophobicContact CB-CG2 4.03Å; V154-L165 HydrophobicContact CG1-CD2 4.18Å; V154-M176 HydrophobicContact CB-SD 4.1Å; V154-M176 HydrophobicContact CG1-CG 4.18Å; V154-M176 HydrophobicContact CG1-SD 4.11Å; V154-P177 PolarHBondContact N-O 3.11Å; V154-A178 HydrophobicContact CG1-CB 3.49Å; V154-A178 VanDerWaalsContact CG1-CB 3.49Å; V154-A178 CarbonylContact O-C 3.59Å; V154-A178 WeakPolarHBondContact O-CA 3.46Å; V154-I179 PolarHBondContact O-N 3.28Å; V154-L373 VanDerWaalsContact O-CD1 3.32Å; V154-L373 WeakPolarHBondContact O-CD1 3.37Å
155S98.8Very high96.9Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-111.3127.3162.258.60000109.6I129 D131 I179 Q366 Q370I129-S155 PolarHBondContact O-N 3.1Å; I129-S155 VanDerWaalsContact O-N 3.15Å; D131-S155 PolarHBondContact N-O 2.84Å; S155-I179 WeakPolarHBondContact CA-O 3.21Å; S155-Q366 PolarHBondContact OG-OE1 2.82Å; S155-Q370 PolarHBondContact OG-NE2 2.96Å
156E98.7Very high96.9Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-118.5125.9-170.8170.557.5-117.600111.3D131 D132 G133 G134 T158 G161 V162 L165 I179 V181 N182D131-E156 WeakPolarHBondContact CB-OE2 3.26Å; D131-E156 WeakPolarHBondContact O-CA 3.45Å; D132-E156 WeakPolarHBondContact CA-OE1 3.42Å; G133-E156 PolarHBondContact N-OE1 2.86Å; G133-E156 PolarHBondContact N-OE2 2.92Å; G134-E156 WeakPolarHBondContact CA-OE2 3.22Å; G134-E156 PolarHBondContact N-OE2 3.48Å; E156-T158 PolarHBondContact OE1-N 3.2Å; E156-T158 PolarHBondContact OE1-OG1 2.83Å; E156-G161 VanDerWaalsContact CG-C 3.48Å; E156-V162 HydrophobicContact CB-CG2 4.29Å; E156-V162 HydrophobicContact CG-CG2 3.74Å; E156-L165 HydrophobicContact CB-CD1 3.5Å; E156-L165 VanDerWaalsContact CB-CD1 3.5Å; E156-L165 HydrophobicContact CG-CD1 3.85Å; E156-I179 PolarHBondContact N-O 3.35Å; E156-V181 WeakPolarHBondContact O-CB 3.43Å; E156-V181 PolarHBondContact O-N 3.19Å; E156-N182 PolarHBondContact O-N 3.42Å
157E95Very high96.9Very high2 Ų238.6 Ų38.61%0.00921%0.205CC..  trans-81.2-38.3-168.8-169.564.7-126.500114L54 D131 D132 N182 K187 S362 Q366L54-E157 HydrophobicContact CD1-CB 4.44Å; L54-E157 HydrophobicContact CD1-CG 4.45Å; D131-E157 PolarHBondContact O-N 3.27Å; D132-E157 HydrophobicContact CB-CB 3.98Å; E157-N182 VanDerWaalsContact O-CA 3.27Å; E157-N182 WeakPolarHBondContact O-CA 3.37Å; E157-N182 WeakPolarHBondContact O-CB 3.42Å; E157-N182 PolarHBondContact O-OD1 3.29Å; E157-K187 WeakPolarHBondContact O-CE 3.29Å; E157-K187 PolarHBondContact O-NZ 3.19Å; E157-K187 WeakPolarHBondContact OE1-CE 3.41Å; E157-K187 WeakPolarHBondContact OE1-CG 3.38Å; E157-K187 IonicContact OE1-NZ 2.77Å; E157-S362 VanDerWaalsContact OE1-CB 3.32Å; E157-S362 WeakPolarHBondContact OE1-CB 3.49Å; E157-Q366 VanDerWaalsContact OE2-CD 3.28Å; E157-Q366 WeakPolarHBondContact OE2-CG 3.47Å; E157-Q366 PolarHBondContact OE2-NE2 3.17Å
158T92.4Very high96.9Very high22 Ų2238.4 Ų38.414%0.13520%0.203CC..SBendtrans-113.8153.9-164.256.20000114.7D132 G133 E156 T160 G161 V162D132-T158 WeakPolarHBondContact OD1-CG2 3.43Å; D132-T158 PolarHBondContact OD1-OG1 2.72Å; D132-T158 VanDerWaalsContact OD1-OG1 3.06Å; G133-T158 PolarHBondContact N-OG1 2.84Å; E156-T158 PolarHBondContact OE1-N 3.2Å; E156-T158 PolarHBondContact OE1-OG1 2.83Å; T158-T160 PolarHBondContact O-N 2.87Å; T158-T160 VanDerWaalsContact O-N 3.17Å; T158-G161 PolarHBondContact O-N 2.73Å; T158-V162 WeakPolarHBondContact O-CB 3.39Å; T158-V162 WeakPolarHBondContact O-CG2 3.24Å; T158-V162 PolarHBondContact O-N 3.35Å
159T90.3Very high96.9Very high81 Ų8140.6 Ų40.650%0.49722%0.215SC..Hα-helixtrans-50.6-41.3178.9-49.90000112.1H163 N182T159-H163 WeakPolarHBondContact O-CB 3.37Å; T159-H163 PolarHBondContact O-N 3.04Å; T159-N182 VanDerWaalsContact N-CG 3.31Å; T159-N182 PolarHBondContact N-OD1 2.73Å; T159-N182 PolarHBondContact OG1-ND2 3.46Å; T159-N182 VanDerWaalsContact OG1-ND2 3.1Å; T159-N182 PolarHBondContact OG1-OD1 3.28Å
160T92.1Very high96.9Very high34 Ų3444.2 Ų44.221%0.20922%0.218CC..Hα-helixtrans-68.2-48.2-179.3-57.30000112.2T158 V162 H163 N164 F303T158-T160 PolarHBondContact O-N 2.87Å; T158-T160 VanDerWaalsContact O-N 3.17Å; T160-V162 VanDerWaalsContact C-N 3.34Å; T160-V162 PolarHBondContact O-N 3.01Å; T160-H163 WeakPolarHBondContact O-CB 3.26Å; T160-H163 PolarHBondContact O-N 3.44Å; T160-N164 PolarHBondContact O-N 3.2Å; T160-F303 HydrophobicContact CG2-CD2 3.65Å; T160-F303 HydrophobicContact CG2-CE2 3.35Å; T160-F303 HydrophobicContact CG2-CZ 4.4Å
161G95.9Very high96.9Very high0 Ų048.6 Ų48.60%023%0.226CC..Hα-helixtrans-63.3-40.9177.200000112G133 E156 T158 H163 N164 L165G133-G161 WeakPolarHBondContact O-CA 3.39Å; E156-G161 VanDerWaalsContact CG-C 3.48Å; T158-G161 PolarHBondContact O-N 2.73Å; G161-H163 PolarHBondContact O-N 3.01Å; G161-N164 WeakPolarHBondContact O-CB 3.28Å; G161-N164 PolarHBondContact O-N 3.33Å; G161-L165 WeakPolarHBondContact O-CG 3.39Å; G161-L165 PolarHBondContact O-N 3.14Å
162V97.1Very high96.9Very high5 Ų550 Ų503%0.0324%0.243CC..Hα-helixtrans-62.5-42.8174.6170.10000111.9E156 T158 T160 N164 L165 Y166 N180 N182E156-V162 HydrophobicContact CB-CG2 4.29Å; E156-V162 HydrophobicContact CG-CG2 3.74Å; T158-V162 WeakPolarHBondContact O-CB 3.39Å; T158-V162 WeakPolarHBondContact O-CG2 3.24Å; T158-V162 PolarHBondContact O-N 3.35Å; T160-V162 VanDerWaalsContact C-N 3.34Å; T160-V162 PolarHBondContact O-N 3.01Å; V162-N164 VanDerWaalsContact C-N 3.26Å; V162-N164 PolarHBondContact O-N 3.16Å; V162-L165 WeakPolarHBondContact O-CB 3.22Å; V162-L165 PolarHBondContact O-N 3.37Å; V162-L165 VanDerWaalsContact O-N 3.16Å; V162-Y166 HydrophobicContact CG1-CD2 3.71Å; V162-Y166 HydrophobicContact CG1-CE2 3.46Å; V162-Y166 VanDerWaalsContact CG1-CE2 3.46Å; V162-Y166 VanDerWaalsContact O-CD2 3.29Å; V162-Y166 WeakPolarHBondContact O-CD2 3.3Å; V162-Y166 PolarHBondContact O-N 3.17Å; V162-N180 HydrophobicContact CG1-CB 4.22Å; V162-N180 VanDerWaalsContact CG1-CG 3.46Å; V162-N180 WeakPolarHBondContact CG1-ND2 3.29Å; V162-N180 HydrophobicContact CG2-CB 4.21Å; V162-N180 WeakPolarHBondContact CG2-OD1 3.36Å; V162-N182 HydrophobicContact CG2-CB 3.81Å
163H96Very high96.9Very high133 Ų13348.9 Ų48.962%0.61625%0.245SC*.Hα-helixtrans-58.5-41.8174.9-176.386.5000111.2T159 T160 G161 Y166 K167T159-H163 WeakPolarHBondContact O-CB 3.37Å; T159-H163 PolarHBondContact O-N 3.04Å; T160-H163 WeakPolarHBondContact O-CB 3.26Å; T160-H163 PolarHBondContact O-N 3.44Å; G161-H163 PolarHBondContact O-N 3.01Å; H163-Y166 PolarHBondContact O-N 2.8Å; H163-K167 WeakPolarHBondContact O-CB 3.48Å; H163-K167 PolarHBondContact O-N 2.92Å
164N97.3Very high96.9Very high32 Ų3249.1 Ų49.117%0.17125%0.246CC..Hα-helixtrans-62.2-44.9174.4-178.248.4000112N138 T160 G161 V162 Y166 K167 M168N138-N164 PolarHBondContact ND2-ND2 3.43Å; N138-N164 VanDerWaalsContact ND2-ND2 3.18Å; N138-N164 PolarHBondContact OD1-ND2 2.94Å; T160-N164 PolarHBondContact O-N 3.2Å; G161-N164 WeakPolarHBondContact O-CB 3.28Å; G161-N164 PolarHBondContact O-N 3.33Å; V162-N164 VanDerWaalsContact C-N 3.26Å; V162-N164 PolarHBondContact O-N 3.16Å; N164-Y166 PolarHBondContact O-N 3.37Å; N164-K167 WeakPolarHBondContact O-CB 3.06Å; N164-K167 PolarHBondContact O-N 3.38Å; N164-K167 VanDerWaalsContact O-N 3.12Å; N164-M168 VanDerWaalsContact O-CG 3.31Å; N164-M168 WeakPolarHBondContact O-CG 3.46Å; N164-M168 PolarHBondContact O-N 3.49Å
165L98.6Very high96.8Very high1 Ų154.8 Ų54.81%0.00527%0.271CS..Hα-helixtrans-57.9-45.2176.5-70.8172.8000112.5T137 V154 E156 G161 V162 K167 M168 L169 L174 A178 V384T137-L165 HydrophobicContact CG2-CD2 4.02Å; V154-L165 HydrophobicContact CG1-CD2 4.18Å; E156-L165 HydrophobicContact CB-CD1 3.5Å; E156-L165 VanDerWaalsContact CB-CD1 3.5Å; E156-L165 HydrophobicContact CG-CD1 3.85Å; G161-L165 WeakPolarHBondContact O-CG 3.39Å; G161-L165 PolarHBondContact O-N 3.14Å; V162-L165 WeakPolarHBondContact O-CB 3.22Å; V162-L165 PolarHBondContact O-N 3.37Å; V162-L165 VanDerWaalsContact O-N 3.16Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 3.41Å; L165-M168 PolarHBondContact O-N 3.13Å; L165-L169 WeakPolarHBondContact O-CB 3.49Å; L165-L169 PolarHBondContact O-N 3.49Å; L165-L174 HydrophobicContact CD2-CD1 3.93Å; L165-A178 HydrophobicContact CD1-CB 3.8Å; L165-A178 HydrophobicContact CD2-CB 4.15Å; L165-A178 HydrophobicContact CG-CB 4.5Å; L165-V384 HydrophobicContact CB-CG2 3.91Å
166Y98.4Very high96.8Very high81 Ų8154.9 Ų54.932%0.31827%0.271SS..Hα-helixtrans-64.7-37.6175.6-77.9-64.8000112.5V162 H163 N164 L169 K170 V384V162-Y166 HydrophobicContact CG1-CD2 3.71Å; V162-Y166 HydrophobicContact CG1-CE2 3.46Å; V162-Y166 VanDerWaalsContact CG1-CE2 3.46Å; V162-Y166 VanDerWaalsContact O-CD2 3.29Å; V162-Y166 WeakPolarHBondContact O-CD2 3.3Å; V162-Y166 PolarHBondContact O-N 3.17Å; H163-Y166 PolarHBondContact O-N 2.8Å; N164-Y166 PolarHBondContact O-N 3.37Å; Y166-L169 PolarHBondContact O-N 3.04Å; Y166-K170 WeakPolarHBondContact O-CB 3.44Å; Y166-K170 PolarHBondContact O-N 2.67Å; Y166-V384 HydrophobicContact CD1-CB 4.05Å; Y166-V384 HydrophobicContact CD1-CG1 4.32Å; Y166-V384 HydrophobicContact CD1-CG2 4.2Å; Y166-V384 HydrophobicContact CD2-CG1 4.5Å; Y166-V384 HydrophobicContact CE1-CB 3.64Å; Y166-V384 HydrophobicContact CE1-CG1 3.75Å; Y166-V384 HydrophobicContact CE1-CG2 4.3Å; Y166-V384 HydrophobicContact CE2-CG1 3.96Å
167K98Very high96.8Very high109 Ų10955.4 Ų55.447%0.47428%0.275SS..Hα-helixtrans-63.7-44.7174.8-177.5-179.2179.5179.90111.3H163 N164 L165 K170 K171H163-K167 WeakPolarHBondContact O-CB 3.48Å; H163-K167 PolarHBondContact O-N 2.92Å; N164-K167 WeakPolarHBondContact O-CB 3.06Å; N164-K167 PolarHBondContact O-N 3.38Å; N164-K167 VanDerWaalsContact O-N 3.12Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 3.41Å; K167-K170 PolarHBondContact O-N 3.03Å; K167-K171 WeakPolarHBondContact O-CG 3.3Å; K167-K171 PolarHBondContact O-N 3.23Å; K167-K171 VanDerWaalsContact O-N 3.14Å
168M98.4Very high97Very high14 Ų1455.3 Ų55.37%0.06927%0.274CS..Hα-helixtrans-62.8-43.6175.3-68.6173.871.700111.2T137 H141 N164 L165 K171 G172 D173 L174T137-M168 HydrophobicContact CG2-CE 4.49Å; T137-M168 HydrophobicContact CG2-SD 4.47Å; H141-M168 HydrophobicContact CB-CE 3.99Å; H141-M168 VanDerWaalsContact CD2-CE 3.48Å; H141-M168 WeakPolarHBondContact CD2-CE 3.4Å; H141-M168 VanDerWaalsContact CG-CE 3.47Å; N164-M168 VanDerWaalsContact O-CG 3.31Å; N164-M168 WeakPolarHBondContact O-CG 3.46Å; N164-M168 PolarHBondContact O-N 3.49Å; L165-M168 PolarHBondContact O-N 3.13Å; M168-K171 PolarHBondContact O-N 2.99Å; M168-G172 PolarHBondContact O-N 3.09Å; M168-G172 VanDerWaalsContact O-N 3.08Å; M168-D173 HydrophobicContact CB-CB 4.28Å; M168-D173 PolarHBondContact O-N 3.23Å; M168-L174 HydrophobicContact CB-CB 3.97Å; M168-L174 PolarHBondContact O-N 3.36Å
169L98.3Very high97.3Very high63 Ų6354.3 Ų54.333%0.3327%0.268SS..Hα-helixtrans-60.4-47.6176.7179.762.2000111.4L165 Y166 K171 G172 L174 V384L165-L169 WeakPolarHBondContact O-CB 3.49Å; L165-L169 PolarHBondContact O-N 3.49Å; Y166-L169 PolarHBondContact O-N 3.04Å; L169-K171 PolarHBondContact O-N 3.33Å; L169-G172 PolarHBondContact O-N 2.73Å; L169-L174 HydrophobicContact CB-CB 4.42Å; L169-L174 HydrophobicContact CB-CD2 4.13Å; L169-L174 HydrophobicContact CD1-CD2 4.36Å; L169-V384 HydrophobicContact CB-CG2 4.44Å; L169-V384 HydrophobicContact CD2-CB 4.46Å; L169-V384 HydrophobicContact CD2-CG2 4.1Å
170K98.1Very high97.7Very high195 Ų19550.4 Ų50.485%0.84824%0.244SC*.Hα-helixtrans-60.8-32.8179-175.1176.9179.2179.70112.9Y166 K167 G172Y166-K170 WeakPolarHBondContact O-CB 3.44Å; Y166-K170 PolarHBondContact O-N 2.67Å; K167-K170 PolarHBondContact O-N 3.03Å; K170-G172 VanDerWaalsContact C-N 3.34Å
171K98Very high98Very high133 Ų13348.8 Ų48.858%0.57823%0.234SC*.Hα-helixtrans-81.7-11.6175.8-69.8179.2177-169.80113.7K167 M168 L169 D173K167-K171 WeakPolarHBondContact O-CG 3.3Å; K167-K171 PolarHBondContact O-N 3.23Å; K167-K171 VanDerWaalsContact O-N 3.14Å; M168-K171 PolarHBondContact O-N 2.99Å; L169-K171 PolarHBondContact O-N 3.33Å; K171-D173 VanDerWaalsContact C-N 3.27Å; K171-D173 HydrophobicContact CB-CB 4.43Å; K171-D173 VanDerWaalsContact CB-OD2 3.3Å; K171-D173 WeakPolarHBondContact CB-OD2 3.35Å; K171-D173 WeakPolarHBondContact CD-OD2 3.46Å
172G97.8Very high98Very high41 Ų4149 Ų4942%0.42324%0.235SC..THydrogen-bonded Turntrans76.114.3-171.600000113.7M168 L169 K170 K175M168-G172 PolarHBondContact O-N 3.09Å; M168-G172 VanDerWaalsContact O-N 3.08Å; L169-G172 PolarHBondContact O-N 2.73Å; K170-G172 VanDerWaalsContact C-N 3.34Å; G172-K175 PolarHBondContact O-NZ 2.92Å
173D97.8Very high98Very high80 Ų8051.9 Ų51.943%0.42825%0.25SS..  trans-83.1-28.8-178.2-66.7-29000112.4H141 M168 K171 K175H141-D173 PolarHBondContact CD2-O 2.72Å; M168-D173 HydrophobicContact CB-CB 4.28Å; M168-D173 PolarHBondContact O-N 3.23Å; K171-D173 VanDerWaalsContact C-N 3.27Å; K171-D173 HydrophobicContact CB-CB 4.43Å; K171-D173 VanDerWaalsContact CB-OD2 3.3Å; K171-D173 WeakPolarHBondContact CB-OD2 3.35Å; K171-D173 WeakPolarHBondContact CD-OD2 3.46Å; D173-K175 WeakPolarHBondContact O-CE 3.32Å; D173-K175 WeakPolarHBondContact O-CG 2.99Å; D173-K175 PolarHBondContact O-N 3.42Å
174L98.6Very high98.1Very high6 Ų645.7 Ų45.73%0.03122%0.222CC..  trans-65.3124.5178.2-177.363.7000110.3L165 M168 L169 M176 V382 V384L165-L174 HydrophobicContact CD2-CD1 3.93Å; M168-L174 HydrophobicContact CB-CB 3.97Å; M168-L174 PolarHBondContact O-N 3.36Å; L169-L174 HydrophobicContact CB-CB 4.42Å; L169-L174 HydrophobicContact CB-CD2 4.13Å; L169-L174 HydrophobicContact CD1-CD2 4.36Å; L174-M176 HydrophobicContact CD1-CG 4.42Å; L174-M176 WeakPolarHBondContact CG-O 3.4Å; L174-V382 HydrophobicContact CG-CG1 4.32Å; L174-V382 VanDerWaalsContact O-CG1 3.22Å; L174-V382 WeakPolarHBondContact O-CG1 3.46Å; L174-V384 HydrophobicContact CD2-CG2 3.92Å
175K98.3Very high98.2Very high118 Ų11845.8 Ų45.851%0.51322%0.224SC..  trans-114.84.6-175.4-55-51.6178.6-172.70115.1H141 L148 G172 D173H141-K175 PolarHBondContact NE2-N 3.35Å; H141-K175 VanDerWaalsContact NE2-N 3.17Å; L148-K175 HydrophobicContact CB-CB 4.4Å; L148-K175 HydrophobicContact CD1-CB 3.98Å; L148-K175 HydrophobicContact CD1-CG 3.93Å; L148-K175 HydrophobicContact CD2-CB 4.39Å; G172-K175 PolarHBondContact O-NZ 2.92Å; D173-K175 WeakPolarHBondContact O-CE 3.32Å; D173-K175 WeakPolarHBondContact O-CG 2.99Å; D173-K175 PolarHBondContact O-N 3.42Å
176M97.9Very high98.2Very high2 Ų245.9 Ų45.91%0.0123%0.225CC..SBendtrans-138.3155.417868.6-178101.600110I129 H141 L148 I151 V154 L174I129-M176 HydrophobicContact CD1-CE 3.77Å; I129-M176 HydrophobicContact CD1-SD 4.1Å; H141-M176 WeakPolarHBondContact CE1-CE 3.28Å; L148-M176 HydrophobicContact CD2-CE 3.56Å; I151-M176 HydrophobicContact CB-SD 4.25Å; I151-M176 HydrophobicContact CD1-CE 4.25Å; I151-M176 HydrophobicContact CG2-CE 4.29Å; I151-M176 HydrophobicContact CG2-SD 3.49Å; I151-M176 WeakPolarHBondContact CG2-SD 3.47Å; V154-M176 HydrophobicContact CB-SD 4.1Å; V154-M176 HydrophobicContact CG1-CG 4.18Å; V154-M176 HydrophobicContact CG1-SD 4.11Å; L174-M176 HydrophobicContact CD1-CG 4.42Å; L174-M176 WeakPolarHBondContact CG-O 3.4Å
177P98.4Very high98.2Very high12 Ų1242.1 Ų42.18%0.07821%0.21CC..  trans-67.8146.617230.2-35.1000110.8R152 G153 V154 L373 Y380 Y385R152-P177 WeakPolarHBondContact O-CD 3.12Å; R152-P177 WeakPolarHBondContact O-CG 3.49Å; G153-P177 CarbonylContact C-O 3.47Å; G153-P177 WeakPolarHBondContact CA-O 3.2Å; V154-P177 PolarHBondContact N-O 3.11Å; P177-L373 HydrophobicContact CB-CD2 4.15Å; P177-L373 HydrophobicContact CG-CD2 4.1Å; P177-Y380 VanDerWaalsContact CB-O 3.28Å; P177-Y380 WeakPolarHBondContact CB-O 3.46Å; P177-Y380 WeakPolarHBondContact CG-O 3.45Å; P177-Y385 HydrophobicContact CB-CE2 4.36Å
178A98.7Very high98.1Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-128137.2179.200000111.1V154 L165 G383 V384 Y385V154-A178 HydrophobicContact CG1-CB 3.49Å; V154-A178 VanDerWaalsContact CG1-CB 3.49Å; V154-A178 CarbonylContact O-C 3.59Å; V154-A178 WeakPolarHBondContact O-CA 3.46Å; L165-A178 HydrophobicContact CD1-CB 3.8Å; L165-A178 HydrophobicContact CD2-CB 4.15Å; L165-A178 HydrophobicContact CG-CB 4.5Å; A178-G383 PolarHBondContact N-O 3.33Å; A178-V384 HydrophobicContact CB-CG2 4.26Å; A178-V384 CarbonylContact O-C 3.56Å; A178-V384 WeakPolarHBondContact O-CA 3.4Å; A178-Y385 WeakPolarHBondContact O-CD2 3.3Å; A178-Y385 PolarHBondContact O-N 3.07Å
179I98.8Very high98.1Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-101.1120.7164.9-68.5-178.4000108.7V154 S155 E156 V181 A369 E372 L373 Y380 Y385 L387V154-I179 PolarHBondContact O-N 3.28Å; S155-I179 WeakPolarHBondContact CA-O 3.21Å; E156-I179 PolarHBondContact N-O 3.35Å; I179-V181 HydrophobicContact CG2-CG2 4.12Å; I179-V181 PolarHBondContact O-N 3.19Å; I179-A369 HydrophobicContact CB-CB 4.04Å; I179-A369 HydrophobicContact CD1-CB 4Å; I179-A369 HydrophobicContact CG2-CB 3.7Å; I179-E372 HydrophobicContact CD1-CB 4.08Å; I179-L373 HydrophobicContact CB-CD1 4.3Å; I179-L373 HydrophobicContact CD1-CD1 4.14Å; I179-L373 HydrophobicContact CD1-CD2 4.21Å; I179-L373 HydrophobicContact CD1-CG 3.7Å; I179-L373 HydrophobicContact CG1-CD1 4.03Å; I179-L373 HydrophobicContact CG1-CD2 4.07Å; I179-L373 HydrophobicContact CG1-CG 3.92Å; I179-Y380 HydrophobicContact CD1-CE1 4.49Å; I179-Y385 CarbonylContact C-O 3.6Å; I179-Y385 WeakPolarHBondContact CA-O 3.5Å; I179-L387 HydrophobicContact CD1-CD2 4.32Å; I179-L387 HydrophobicContact CG2-CD2 4.31Å; I179-L387 HydrophobicContact CG2-CG 3.96Å
180N98.6Very high98.1Very high0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-74.298.2168.6174-6.7000108.4V162 N182 D183 V384 Y385 F386V162-N180 HydrophobicContact CG1-CB 4.22Å; V162-N180 VanDerWaalsContact CG1-CG 3.46Å; V162-N180 WeakPolarHBondContact CG1-ND2 3.29Å; V162-N180 HydrophobicContact CG2-CB 4.21Å; V162-N180 WeakPolarHBondContact CG2-OD1 3.36Å; N180-N182 PolarHBondContact OD1-N 3.1Å; N180-D183 PolarHBondContact ND2-OD2 2.75Å; N180-D183 WeakPolarHBondContact OD1-CB 3.47Å; N180-D183 PolarHBondContact OD1-N 3.28Å; N180-V384 HydrophobicContact CB-CG1 3.91Å; N180-Y385 WeakPolarHBondContact CB-O 3.47Å; N180-Y385 PolarHBondContact N-O 3.39Å; N180-F386 HydrophobicContact CB-CD1 4.33Å; N180-F386 HydrophobicContact CB-CE1 4.47Å; N180-F386 VanDerWaalsContact ND2-CE1 3.35Å; N180-F386 WeakPolarHBondContact ND2-CE1 3.29Å
181V98.5Very high98.1Very high0 Ų030.6 Ų30.60%016%0.157CC..  trans-78.2-35.7176.4171.60000110.2E156 I179 D183 S184 K187 N365 Q366 A369E156-V181 WeakPolarHBondContact O-CB 3.43Å; E156-V181 PolarHBondContact O-N 3.19Å; I179-V181 HydrophobicContact CG2-CG2 4.12Å; I179-V181 PolarHBondContact O-N 3.19Å; V181-D183 VanDerWaalsContact C-N 3.26Å; V181-D183 PolarHBondContact O-N 3.32Å; V181-S184 VanDerWaalsContact O-CB 3.29Å; V181-S184 WeakPolarHBondContact O-CB 3.38Å; V181-S184 PolarHBondContact O-N 3.02Å; V181-S184 PolarHBondContact O-OG 3.42Å; V181-K187 HydrophobicContact CG1-CG 4.24Å; V181-K187 WeakPolarHBondContact O-CB 3.23Å; V181-N365 HydrophobicContact CG1-CB 3.62Å; V181-Q366 HydrophobicContact CG1-CG 4.25Å; V181-A369 HydrophobicContact CG2-CB 3.82Å
182N97.3Very high98.1Very high3 Ų324.9 Ų24.92%0.01613%0.133CC..THydrogen-bonded Turntrans-48.2-48.1-179.1-173.469.8000113E156 E157 T159 V162 N180 S184 K187 S188 N192E156-N182 PolarHBondContact O-N 3.42Å; E157-N182 VanDerWaalsContact O-CA 3.27Å; E157-N182 WeakPolarHBondContact O-CA 3.37Å; E157-N182 WeakPolarHBondContact O-CB 3.42Å; E157-N182 PolarHBondContact O-OD1 3.29Å; T159-N182 VanDerWaalsContact N-CG 3.31Å; T159-N182 PolarHBondContact N-OD1 2.73Å; T159-N182 PolarHBondContact OG1-ND2 3.46Å; T159-N182 VanDerWaalsContact OG1-ND2 3.1Å; T159-N182 PolarHBondContact OG1-OD1 3.28Å; V162-N182 HydrophobicContact CG2-CB 3.81Å; N180-N182 PolarHBondContact OD1-N 3.1Å; N182-S184 VanDerWaalsContact C-N 3.28Å; N182-S184 PolarHBondContact O-N 3.27Å; N182-K187 PolarHBondContact OD1-NZ 3.23Å; N182-S188 WeakPolarHBondContact O-CB 3.3Å; N182-S188 PolarHBondContact O-N 2.87Å; N182-S188 PolarHBondContact O-OG 3.08Å; N182-N192 PolarHBondContact OD1-ND2 2.71Å
183D97.2Very high98.2Very high66 Ų6623.8 Ų23.835%0.35312%0.118SC..THydrogen-bonded Turntrans-88.87.6-173-64.4-21.5000113.4N180 V181 V185 F386N180-D183 PolarHBondContact ND2-OD2 2.75Å; N180-D183 WeakPolarHBondContact OD1-CB 3.47Å; N180-D183 PolarHBondContact OD1-N 3.28Å; V181-D183 VanDerWaalsContact C-N 3.26Å; V181-D183 PolarHBondContact O-N 3.32Å; D183-V185 PolarHBondContact O-N 3.46Å; D183-F386 HydrophobicContact CB-CD1 4.01Å; D183-F386 HydrophobicContact CB-CE1 3.62Å
184S98.3Very high98.2Very high4 Ų424.1 Ų24.13%0.02811%0.113CC..SBendtrans-61.2136.9160.3-55.50000108.3V181 N182 T186 K187 S188 N365V181-S184 VanDerWaalsContact O-CB 3.29Å; V181-S184 WeakPolarHBondContact O-CB 3.38Å; V181-S184 PolarHBondContact O-N 3.02Å; V181-S184 PolarHBondContact O-OG 3.42Å; N182-S184 VanDerWaalsContact C-N 3.28Å; N182-S184 PolarHBondContact O-N 3.27Å; S184-T186 VanDerWaalsContact C-N 3.27Å; S184-T186 PolarHBondContact O-N 2.91Å; S184-K187 WeakPolarHBondContact O-CA 3.38Å; S184-K187 WeakPolarHBondContact O-CB 3.47Å; S184-K187 PolarHBondContact O-N 3.12Å; S184-S188 PolarHBondContact O-N 3.49Å; S184-S188 PolarHBondContact O-OG 3.29Å; S184-N365 WeakPolarHBondContact CB-OD1 3.45Å
185V98.4Very high98.2Very high33 Ų3323.8 Ų23.820%0.211%0.112CC..Hα-helixtrans-57.1-46.7-177.1155.60000109.7D183 K187 K189 F190 D392 Y433D183-V185 PolarHBondContact O-N 3.46Å; V185-K187 PolarHBondContact O-N 2.83Å; V185-K187 VanDerWaalsContact O-N 3.11Å; V185-K189 PolarHBondContact O-N 3.02Å; V185-F190 WeakPolarHBondContact O-CD2 3.3Å; V185-D392 VanDerWaalsContact CB-OD2 3.26Å; V185-D392 WeakPolarHBondContact CB-OD2 3.44Å; V185-D392 PolarHBondContact N-OD1 3.26Å; V185-D392 PolarHBondContact N-OD2 3.02Å; V185-Y433 HydrophobicContact CB-CD1 3.65Å; V185-Y433 HydrophobicContact CB-CE1 3.58Å; V185-Y433 HydrophobicContact CG1-CD1 3.1Å; V185-Y433 HydrophobicContact CG1-CE1 3.55Å; V185-Y433 HydrophobicContact CG1-CG 4.1Å; V185-Y433 HydrophobicContact CG2-CD1 3.69Å; V185-Y433 HydrophobicContact CG2-CE1 3.67Å; V185-Y433 HydrophobicContact CG2-CG 4.27Å; V185-Y433 VanDerWaalsContact O-CE1 3.22Å; V185-Y433 WeakPolarHBondContact O-CE1 3.3Å
186T98.4Very high98.2Very high3 Ų318.4 Ų18.42%0.0189%0.089CC..Hα-helixtrans-68.6-9.5179.851.10000114.6S184 F190 N361 N365 D392 V395 A396S184-T186 VanDerWaalsContact C-N 3.27Å; S184-T186 PolarHBondContact O-N 2.91Å; T186-F190 HydrophobicContact CG2-CE2 4.44Å; T186-F190 WeakPolarHBondContact O-CB 3.47Å; T186-N361 WeakPolarHBondContact O-CB 3.23Å; T186-N361 PolarHBondContact O-ND2 3.49Å; T186-N365 PolarHBondContact OG1-ND2 3.4Å; T186-N365 PolarHBondContact OG1-OD1 2.62Å; T186-D392 VanDerWaalsContact CB-OD1 3.3Å; T186-D392 WeakPolarHBondContact CB-OD1 3.31Å; T186-D392 VanDerWaalsContact CG2-O 3.29Å; T186-D392 WeakPolarHBondContact CG2-O 3.42Å; T186-D392 VanDerWaalsContact CG2-OD1 3.27Å; T186-D392 WeakPolarHBondContact CG2-OD1 3.48Å; T186-D392 PolarHBondContact N-OD1 3.29Å; T186-D392 PolarHBondContact OG1-OD1 3.34Å; T186-V395 HydrophobicContact CG2-CB 4.08Å; T186-V395 HydrophobicContact CG2-CG1 4.13Å; T186-V395 WeakPolarHBondContact OG1-CB 3.49Å; T186-V395 WeakPolarHBondContact OG1-CG1 3.37Å; T186-A396 HydrophobicContact CG2-CB 3.7Å
187K98.6Very high98.3Very high2 Ų222.7 Ų22.71%0.00911%0.105CC..Hα-helixtrans-93.6-71.3170.1-163.8-66.7-175.1166.60110E157 V181 N182 S184 V185 K189 F190 D191 N192E157-K187 WeakPolarHBondContact O-CE 3.29Å; E157-K187 PolarHBondContact O-NZ 3.19Å; E157-K187 WeakPolarHBondContact OE1-CE 3.41Å; E157-K187 WeakPolarHBondContact OE1-CG 3.38Å; E157-K187 IonicContact OE1-NZ 2.77Å; V181-K187 HydrophobicContact CG1-CG 4.24Å; V181-K187 WeakPolarHBondContact O-CB 3.23Å; N182-K187 PolarHBondContact OD1-NZ 3.23Å; S184-K187 WeakPolarHBondContact O-CA 3.38Å; S184-K187 WeakPolarHBondContact O-CB 3.47Å; S184-K187 PolarHBondContact O-N 3.12Å; V185-K187 PolarHBondContact O-N 2.83Å; V185-K187 VanDerWaalsContact O-N 3.11Å; K187-K189 PolarHBondContact O-N 2.65Å; K187-F190 CarbonylContact O-C 3.49Å; K187-F190 PolarHBondContact O-N 3.45Å; K187-D191 HydrophobicContact CD-CB 4.03Å; K187-D191 VanDerWaalsContact O-CB 3.3Å; K187-D191 WeakPolarHBondContact O-CB 3.41Å; K187-D191 PolarHBondContact O-N 2.9Å; K187-N192 PolarHBondContact NZ-OD1 3.25Å
188S96.4Very high98.3Very high2 Ų227.7 Ų27.71%0.01413%0.127CC..Hα-helixtrans-60.9-41-167.732.40000115.3N182 S184 F190 N192 Y433N182-S188 WeakPolarHBondContact O-CB 3.3Å; N182-S188 PolarHBondContact O-N 2.87Å; N182-S188 PolarHBondContact O-OG 3.08Å; S184-S188 PolarHBondContact O-N 3.49Å; S184-S188 PolarHBondContact O-OG 3.29Å; S188-F190 VanDerWaalsContact C-N 3.31Å; S188-N192 WeakPolarHBondContact O-CB 3.45Å; S188-Y433 VanDerWaalsContact CB-OH 3.26Å; S188-Y433 WeakPolarHBondContact CB-OH 3.05Å; S188-Y433 PolarHBondContact OG-OH 3.46Å
189K98.3Very high98.3Very high62 Ų6227.8 Ų27.827%0.2713%0.128SC..THydrogen-bonded Turntrans-84-2.5174.8-94.724.3167-166.70114.9V185 K187 L193 Y194 D224 Y433V185-K189 PolarHBondContact O-N 3.02Å; K187-K189 PolarHBondContact O-N 2.65Å; K189-L193 WeakPolarHBondContact O-CB 3.17Å; K189-Y194 VanDerWaalsContact O-CE2 3.28Å; K189-Y194 WeakPolarHBondContact O-CE2 3.46Å; K189-D224 WeakPolarHBondContact CD-OD1 3.36Å; K189-D224 VanDerWaalsContact CE-OD1 3.27Å; K189-D224 WeakPolarHBondContact CE-OD1 3.45Å; K189-D224 IonicContact NZ-OD1 2.78Å; K189-D224 PolarHBondContact NZ-OD1 3.08Å; K189-D224 IonicContact NZ-OD2 3.49Å; K189-D224 PolarHBondContact NZ-OD2 3.5Å; K189-Y433 HydrophobicContact CB-CD1 3.38Å; K189-Y433 HydrophobicContact CB-CD2 4.45Å; K189-Y433 HydrophobicContact CB-CE1 3.13Å; K189-Y433 HydrophobicContact CB-CE2 4.32Å; K189-Y433 HydrophobicContact CB-CG 4.1Å; K189-Y433 HydrophobicContact CD-CD1 4.23Å; K189-Y433 HydrophobicContact CD-CD2 3.79Å; K189-Y433 HydrophobicContact CD-CE1 3.68Å; K189-Y433 HydrophobicContact CD-CE2 3.27Å; K189-Y433 HydrophobicContact CD-CG 4.32Å; K189-Y433 VanDerWaalsContact CD-OH 3.31Å; K189-Y433 WeakPolarHBondContact CD-OH 3.48Å; K189-Y433 VanDerWaalsContact CE-CD2 3.41Å; K189-Y433 HydrophobicContact CG-CD1 3.37Å; K189-Y433 HydrophobicContact CG-CD2 3.52Å; K189-Y433 HydrophobicContact CG-CE1 3.24Å; K189-Y433 HydrophobicContact CG-CE2 3.47Å; K189-Y433 VanDerWaalsContact CG-CE2 3.47Å; K189-Y433 HydrophobicContact CG-CG 3.56Å
190F98.6Very high98.3Very high67 Ų6727.8 Ų27.829%0.29413%0.128SC..THydrogen-bonded Turntrans-111-65179.3-69.7-99.9000110.6V185 T186 K187 S188 Y194 G195 V358 N361V185-F190 WeakPolarHBondContact O-CD2 3.3Å; T186-F190 HydrophobicContact CG2-CE2 4.44Å; T186-F190 WeakPolarHBondContact O-CB 3.47Å; K187-F190 CarbonylContact O-C 3.49Å; K187-F190 PolarHBondContact O-N 3.45Å; S188-F190 VanDerWaalsContact C-N 3.31Å; F190-Y194 HydrophobicContact CB-CD2 4.2Å; F190-Y194 AromaticContact CD1-CD2 3.9Å; F190-Y194 HydrophobicContact CD1-CD2 3.9Å; F190-Y194 AromaticContact CD1-CE2 3.78Å; F190-Y194 HydrophobicContact CD1-CE2 3.78Å; F190-Y194 HydrophobicContact CE1-CE2 4.17Å; F190-Y194 HydrophobicContact CG-CD2 4.26Å; F190-Y194 HydrophobicContact CG-CE2 4.22Å; F190-Y194 WeakPolarHBondContact O-CA 3.46Å; F190-Y194 VanDerWaalsContact O-CB 3.27Å; F190-Y194 WeakPolarHBondContact O-CB 3.4Å; F190-Y194 PolarHBondContact O-N 3.25Å; F190-G195 PolarHBondContact O-N 3.02Å; F190-V358 HydrophobicContact CB-CG2 3.97Å; F190-V358 WeakPolarHBondContact O-CG2 3.43Å; F190-N361 WeakPolarHBondContact CD1-ND2 3.27Å; F190-N361 WeakPolarHBondContact CG-ND2 3.41Å
191D98.2Very high98.3Very high8 Ų828.4 Ų28.44%0.04313%0.131CC..Iπ-helixtrans-59.8-63.4-178.5-174-37.3000111.3K187 L193 G195 H354 V358 M359 S362K187-D191 HydrophobicContact CD-CB 4.03Å; K187-D191 VanDerWaalsContact O-CB 3.3Å; K187-D191 WeakPolarHBondContact O-CB 3.41Å; K187-D191 PolarHBondContact O-N 2.9Å; D191-L193 PolarHBondContact O-N 3.39Å; D191-L193 VanDerWaalsContact O-N 3.14Å; D191-G195 VanDerWaalsContact O-CA 3.22Å; D191-G195 WeakPolarHBondContact O-CA 3.47Å; D191-G195 PolarHBondContact O-N 2.55Å; D191-H354 PolarHBondContact O-CE1 3.09Å; D191-H354 VanDerWaalsContact O-CE1 3.28Å; D191-H354 IonicContact OD1-CE1 3.64Å; D191-H354 PolarHBondContact OD1-CE1 3.16Å; D191-H354 IonicContact OD1-CG 3.63Å; D191-H354 IonicContact OD1-ND1 2.73Å; D191-H354 PolarHBondContact OD1-ND1 3.01Å; D191-V358 HydrophobicContact CB-CG2 4.49Å; D191-M359 VanDerWaalsContact OD2-SD 3.36Å; D191-S362 VanDerWaalsContact CB-OG 3.26Å; D191-S362 WeakPolarHBondContact CB-OG 3.33Å; D191-S362 VanDerWaalsContact CG-OG 3.31Å; D191-S362 WeakPolarHBondContact OD2-CB 3.41Å; D191-S362 PolarHBondContact OD2-OG 2.68Å
192N97.6Very high98.3Very high13 Ų1330.8 Ų30.87%0.0714%0.144CC..Iπ-helixtrans-61.6-32.4-174.9-56.5-11.2000111.3N182 K187 S188 C196 D224 V225N182-N192 PolarHBondContact OD1-ND2 2.71Å; K187-N192 PolarHBondContact NZ-OD1 3.25Å; S188-N192 WeakPolarHBondContact O-CB 3.45Å; N192-C196 VanDerWaalsContact O-CB 3.3Å; N192-C196 WeakPolarHBondContact O-CB 3.29Å; N192-C196 PolarHBondContact O-SG 3.14Å; N192-C196 VanDerWaalsContact O-SG 3.4Å; N192-D224 HydrophobicContact CB-CB 3.77Å; N192-V225 HydrophobicContact CB-CG2 3.99Å; N192-V225 VanDerWaalsContact O-CA 3.29Å; N192-V225 WeakPolarHBondContact O-CA 3.48Å
193L98.5Very high98.4Very high19 Ų1930.7 Ų30.710%0.09914%0.143CC..Iπ-helixtrans-86.4-67.2-178.5179.763000112.6K189 D191 R197 K227 G228K189-L193 WeakPolarHBondContact O-CB 3.17Å; D191-L193 PolarHBondContact O-N 3.39Å; D191-L193 VanDerWaalsContact O-N 3.14Å; L193-R197 VanDerWaalsContact O-CB 3.31Å; L193-R197 WeakPolarHBondContact O-CB 3.39Å; L193-R197 PolarHBondContact O-N 3.15Å; L193-R197 VanDerWaalsContact O-N 3.07Å; L193-K227 HydrophobicContact CD1-CB 3.65Å; L193-G228 VanDerWaalsContact O-CA 3.26Å; L193-G228 WeakPolarHBondContact O-CA 3.39Å
194Y98.7Very high98.5Very high86 Ų8627.5 Ų27.534%0.33713%0.126SC..Iπ-helixtrans-75.7-34.3-173.1-53.9-49.1000112.3K189 F190 R197 E198K189-Y194 VanDerWaalsContact O-CE2 3.28Å; K189-Y194 WeakPolarHBondContact O-CE2 3.46Å; F190-Y194 HydrophobicContact CB-CD2 4.2Å; F190-Y194 AromaticContact CD1-CD2 3.9Å; F190-Y194 HydrophobicContact CD1-CD2 3.9Å; F190-Y194 AromaticContact CD1-CE2 3.78Å; F190-Y194 HydrophobicContact CD1-CE2 3.78Å; F190-Y194 HydrophobicContact CE1-CE2 4.17Å; F190-Y194 HydrophobicContact CG-CD2 4.26Å; F190-Y194 HydrophobicContact CG-CE2 4.22Å; F190-Y194 WeakPolarHBondContact O-CA 3.46Å; F190-Y194 VanDerWaalsContact O-CB 3.27Å; F190-Y194 WeakPolarHBondContact O-CB 3.4Å; F190-Y194 PolarHBondContact O-N 3.25Å; Y194-R197 VanDerWaalsContact CD1-CZ 3.48Å; Y194-R197 VanDerWaalsContact CD1-NH2 3.27Å; Y194-R197 PolarHBondContact O-N 3.01Å; Y194-E198 PolarHBondContact O-N 3.17Å
195G98.5Very high98.5Very high0 Ų030.3 Ų30.30%014%0.138CC..Iπ-helixtrans-63.5-47.1175.400000112.3F190 D191 R197 E198 S199 H354F190-G195 PolarHBondContact O-N 3.02Å; D191-G195 VanDerWaalsContact O-CA 3.22Å; D191-G195 WeakPolarHBondContact O-CA 3.47Å; D191-G195 PolarHBondContact O-N 2.55Å; G195-R197 VanDerWaalsContact C-N 3.33Å; G195-R197 PolarHBondContact O-N 3.44Å; G195-E198 PolarHBondContact O-N 3.39Å; G195-S199 VanDerWaalsContact O-CB 3.26Å; G195-S199 WeakPolarHBondContact O-CB 3.48Å; G195-S199 PolarHBondContact O-N 3.48Å; G195-S199 PolarHBondContact O-OG 2.85Å; G195-H354 PolarHBondContact O-CD2 2.9Å
196C98.6Very high98.5Very high4 Ų434.3 Ų34.33%0.02715%0.15CC..Hα-helixtrans-67.7-33.7175.9-70.80000112.2N192 E198 L200 V225 I300 H354N192-C196 VanDerWaalsContact O-CB 3.3Å; N192-C196 WeakPolarHBondContact O-CB 3.29Å; N192-C196 PolarHBondContact O-SG 3.14Å; N192-C196 VanDerWaalsContact O-SG 3.4Å; C196-E198 PolarHBondContact O-N 3.48Å; C196-L200 VanDerWaalsContact O-CB 3.24Å; C196-L200 WeakPolarHBondContact O-CB 3.21Å; C196-L200 PolarHBondContact O-N 3.35Å; C196-L200 VanDerWaalsContact O-N 3.08Å; C196-V225 HydrophobicContact CB-CG1 4.29Å; C196-I300 HydrophobicContact CB-CD1 4.31Å; C196-H354 PolarHBondContact N-NE2 2.91Å; C196-H354 PolarHBondContact SG-NE2 3.4Å
197R98.8Very high98.5Very high92 Ų9234.5 Ų34.535%0.34715%0.152SC..Hα-helixtrans-60.2-30.3175.9-171.5171.569.6-176.72.9113.1L193 Y194 G195 G228 Q231 A232L193-R197 VanDerWaalsContact O-CB 3.31Å; L193-R197 WeakPolarHBondContact O-CB 3.39Å; L193-R197 PolarHBondContact O-N 3.15Å; L193-R197 VanDerWaalsContact O-N 3.07Å; Y194-R197 VanDerWaalsContact CD1-CZ 3.48Å; Y194-R197 VanDerWaalsContact CD1-NH2 3.27Å; Y194-R197 PolarHBondContact O-N 3.01Å; G195-R197 VanDerWaalsContact C-N 3.33Å; G195-R197 PolarHBondContact O-N 3.44Å; R197-G228 WeakPolarHBondContact CA-O 3.26Å; R197-G228 WeakPolarHBondContact CB-O 3.3Å; R197-G228 WeakPolarHBondContact CG-O 3.5Å; R197-Q231 VanDerWaalsContact CD-OE1 3.25Å; R197-Q231 HydrophobicContact CG-CB 4.24Å; R197-A232 HydrophobicContact CG-CB 4.05Å; R197-A232 WeakPolarHBondContact O-CB 3.39Å
198E98.8Very high98.5Very high117 Ų11736.1 Ų36.155%0.54716%0.161SC..Hα-helixtrans-91.9-47.9175.3-67.8-175.9-13900111.8Y194 G195 C196 D202Y194-E198 PolarHBondContact O-N 3.17Å; G195-E198 PolarHBondContact O-N 3.39Å; C196-E198 PolarHBondContact O-N 3.48Å; E198-D202 PolarHBondContact O-N 2.89Å
199S98.8Very high98.6Very high2 Ų242 Ų421%0.01419%0.193CC..Hα-helixtrans-81.5-23.3-165.469.40000115.1G195 D202 G203 N347 G353 H354G195-S199 VanDerWaalsContact O-CB 3.26Å; G195-S199 WeakPolarHBondContact O-CB 3.48Å; G195-S199 PolarHBondContact O-N 3.48Å; G195-S199 PolarHBondContact O-OG 2.85Å; S199-D202 PolarHBondContact O-N 3.04Å; S199-G203 PolarHBondContact O-N 2.92Å; S199-N347 WeakPolarHBondContact O-CB 3.36Å; S199-N347 WeakPolarHBondContact OG-CB 3.39Å; S199-N347 PolarHBondContact OG-ND2 3.31Å; S199-G353 WeakPolarHBondContact CB-O 3.34Å; S199-H354 PolarHBondContact OG-CD2 2.99Å; S199-H354 PolarHBondContact OG-NE2 3.41Å
200L98.9Very high98.6Very high0 Ų040.4 Ų40.40%019%0.188CC..Hα-helixtrans-58.1-52.3174.4170.767.4000110.4C196 D202 G203 I204 C229 L233 V274 I300 V346C196-L200 VanDerWaalsContact O-CB 3.24Å; C196-L200 WeakPolarHBondContact O-CB 3.21Å; C196-L200 PolarHBondContact O-N 3.35Å; C196-L200 VanDerWaalsContact O-N 3.08Å; L200-D202 VanDerWaalsContact C-N 3.31Å; L200-D202 PolarHBondContact O-N 3.14Å; L200-G203 PolarHBondContact O-N 2.97Å; L200-I204 HydrophobicContact CD1-CD1 3.85Å; L200-I204 HydrophobicContact CD1-CG1 4.37Å; L200-I204 HydrophobicContact CG-CD1 3.99Å; L200-I204 WeakPolarHBondContact O-CG1 3.46Å; L200-I204 PolarHBondContact O-N 3.21Å; L200-C229 HydrophobicContact CD2-CB 3.52Å; L200-L233 HydrophobicContact CD2-CD1 4.07Å; L200-L233 HydrophobicContact CD2-CG 4.2Å; L200-V274 HydrophobicContact CD1-CG1 3.68Å; L200-V274 HydrophobicContact CD1-CG2 4.14Å; L200-V274 HydrophobicContact CD2-CG1 4.19Å; L200-V274 HydrophobicContact CD2-CG2 4.18Å; L200-I300 HydrophobicContact CB-CD1 3.9Å; L200-I300 HydrophobicContact CD1-CD1 4.06Å; L200-V346 HydrophobicContact CD1-CG1 3.91Å
201I98.8Very high98.7Very high13 Ų1343.3 Ų43.37%0.06720%0.204CC..Hα-helixtrans-66.2-38.3-177-63.3-63.2000110.1G203 I204 K205 I212 A232 L233 F236I201-G203 PolarHBondContact O-N 2.98Å; I201-I204 PolarHBondContact O-N 3.36Å; I201-K205 HydrophobicContact CG2-CG 3.94Å; I201-K205 WeakPolarHBondContact O-CB 3.28Å; I201-K205 WeakPolarHBondContact O-CG 3.48Å; I201-K205 PolarHBondContact O-N 2.85Å; I201-I212 HydrophobicContact CD1-CD1 4.46Å; I201-I212 HydrophobicContact CD1-CG1 4.41Å; I201-A232 HydrophobicContact CD1-CB 4.34Å; I201-A232 HydrophobicContact CG1-CB 3.71Å; I201-L233 HydrophobicContact CD1-CD2 3.72Å; I201-L233 HydrophobicContact CD1-CG 4.13Å; I201-F236 HydrophobicContact CG2-CD2 3.72Å; I201-F236 HydrophobicContact CG2-CE2 3.4Å; I201-F236 VanDerWaalsContact CG2-CE2 3.4Å; I201-F236 HydrophobicContact CG2-CZ 4.2Å
202D98.9Very high98.7Very high51 Ų5143 Ų4327%0.27320%0.203SC..Hα-helixtrans-57.7-47.6174.9-167.825.1000111.4E198 S199 L200 K205 R206 A351E198-D202 PolarHBondContact O-N 2.89Å; S199-D202 PolarHBondContact O-N 3.04Å; L200-D202 VanDerWaalsContact C-N 3.31Å; L200-D202 PolarHBondContact O-N 3.14Å; D202-K205 PolarHBondContact O-N 2.93Å; D202-R206 VanDerWaalsContact CG-NE 3.34Å; D202-R206 WeakPolarHBondContact O-CG 3.38Å; D202-R206 PolarHBondContact O-N 3.19Å; D202-R206 IonicContact OD1-CZ 3.88Å; D202-R206 IonicContact OD1-NE 3.67Å; D202-R206 PolarHBondContact OD1-NE 2.94Å; D202-R206 IonicContact OD1-NH2 3.59Å; D202-R206 PolarHBondContact OD1-NH2 2.83Å; D202-R206 IonicContact OD2-CZ 3.72Å; D202-R206 VanDerWaalsContact OD2-CZ 3.29Å; D202-R206 IonicContact OD2-NE 3.84Å; D202-R206 PolarHBondContact OD2-NE 2.78Å; D202-R206 IonicContact OD2-NH2 2.99Å; D202-R206 PolarHBondContact OD2-NH2 3.02Å; D202-A351 HydrophobicContact CB-CB 4.14Å; D202-A351 WeakPolarHBondContact OD2-CB 3.27Å
203G98.8Very high98.7Very high0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-58.2-51.6175.900000113.1S199 L200 I201 K205 A207 C350S199-G203 PolarHBondContact O-N 2.92Å; L200-G203 PolarHBondContact O-N 2.97Å; I201-G203 PolarHBondContact O-N 2.98Å; G203-K205 VanDerWaalsContact C-N 3.31Å; G203-K205 PolarHBondContact O-N 3.47Å; G203-A207 VanDerWaalsContact O-CB 3.27Å; G203-A207 WeakPolarHBondContact O-CB 3.11Å; G203-A207 PolarHBondContact O-N 2.97Å; G203-A207 VanDerWaalsContact O-N 3.09Å; G203-C350 WeakPolarHBondContact O-CB 3.4Å
204I98.9Very high98.7Very high0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-60.5-42.9178.6-67.2171000110.8L200 I201 A207 T208 V210 I212 I272 V274 L340L200-I204 HydrophobicContact CD1-CD1 3.85Å; L200-I204 HydrophobicContact CD1-CG1 4.37Å; L200-I204 HydrophobicContact CG-CD1 3.99Å; L200-I204 WeakPolarHBondContact O-CG1 3.46Å; L200-I204 PolarHBondContact O-N 3.21Å; I201-I204 PolarHBondContact O-N 3.36Å; I204-A207 PolarHBondContact O-N 2.9Å; I204-T208 PolarHBondContact O-N 3.34Å; I204-T208 PolarHBondContact O-OG1 2.8Å; I204-V210 HydrophobicContact CG2-CG1 3.75Å; I204-I212 HydrophobicContact CG2-CD1 4.12Å; I204-I272 HydrophobicContact CD1-CG2 4.1Å; I204-V274 HydrophobicContact CD1-CG2 4.46Å; I204-L340 HydrophobicContact CG1-CD1 4.26Å
205K98.9Very high98.8Very high63 Ų6345.5 Ų45.527%0.27424%0.242SC..Hα-helixtrans-67-51.2-178-77.6-67.3-165.1174.20112.1I201 D202 G203 A207 T208 D209 V210I201-K205 HydrophobicContact CG2-CG 3.94Å; I201-K205 WeakPolarHBondContact O-CB 3.28Å; I201-K205 WeakPolarHBondContact O-CG 3.48Å; I201-K205 PolarHBondContact O-N 2.85Å; D202-K205 PolarHBondContact O-N 2.93Å; G203-K205 VanDerWaalsContact C-N 3.31Å; G203-K205 PolarHBondContact O-N 3.47Å; K205-A207 PolarHBondContact O-N 2.91Å; K205-T208 PolarHBondContact O-N 3.35Å; K205-D209 WeakPolarHBondContact O-CA 3.29Å; K205-D209 PolarHBondContact O-N 3.44Å; K205-V210 WeakPolarHBondContact CE-O 3.39Å; K205-V210 PolarHBondContact NZ-O 3.06Å
206R98.6Very high98.8Very high117 Ų11746 Ų4644%0.44225%0.245SC..Hα-helixtrans-62.2-31.5178-67.8-174.1-161.3-159.47.7112.4D202 K323 C350 M352D202-R206 VanDerWaalsContact CG-NE 3.34Å; D202-R206 WeakPolarHBondContact O-CG 3.38Å; D202-R206 PolarHBondContact O-N 3.19Å; D202-R206 IonicContact OD1-CZ 3.88Å; D202-R206 IonicContact OD1-NE 3.67Å; D202-R206 PolarHBondContact OD1-NE 2.94Å; D202-R206 IonicContact OD1-NH2 3.59Å; D202-R206 PolarHBondContact OD1-NH2 2.83Å; D202-R206 IonicContact OD2-CZ 3.72Å; D202-R206 VanDerWaalsContact OD2-CZ 3.29Å; D202-R206 IonicContact OD2-NE 3.84Å; D202-R206 PolarHBondContact OD2-NE 2.78Å; D202-R206 IonicContact OD2-NH2 2.99Å; D202-R206 PolarHBondContact OD2-NH2 3.02Å; R206-K323 PolarHBondContact O-NZ 2.95Å; R206-C350 WeakPolarHBondContact CB-O 3.4Å; R206-M352 VanDerWaalsContact NH1-CG 3.28Å
207A98.7Very high98.8Very high7 Ų745.8 Ų45.86%0.05824%0.244CC..Hα-helixtrans-71.3-46.1176.400000112.8G203 I204 K205 K323 V326 L340 C350G203-A207 VanDerWaalsContact O-CB 3.27Å; G203-A207 WeakPolarHBondContact O-CB 3.11Å; G203-A207 PolarHBondContact O-N 2.97Å; G203-A207 VanDerWaalsContact O-N 3.09Å; I204-A207 PolarHBondContact O-N 2.9Å; K205-A207 PolarHBondContact O-N 2.91Å; A207-K323 WeakPolarHBondContact O-CE 3.45Å; A207-K323 PolarHBondContact O-NZ 3.05Å; A207-K323 VanDerWaalsContact O-NZ 3.14Å; A207-V326 HydrophobicContact CB-CG2 3.78Å; A207-L340 HydrophobicContact CB-CD1 3.88Å; A207-L340 HydrophobicContact CB-CD2 3.72Å; A207-L340 HydrophobicContact CB-CG 4.36Å; A207-C350 HydrophobicContact CB-CB 4.09Å
208T98.8Very high98.8Very high35 Ų3541.4 Ų41.422%0.21523%0.227CC..Hα-helixtrans-128.3-13.9-161.466.30000115.8I204 K205 V210 I296 I338 L340I204-T208 PolarHBondContact O-N 3.34Å; I204-T208 PolarHBondContact O-OG1 2.8Å; K205-T208 PolarHBondContact O-N 3.35Å; T208-V210 PolarHBondContact O-N 3.2Å; T208-V210 WeakPolarHBondContact OG1-CB 3.26Å; T208-V210 VanDerWaalsContact OG1-CG1 3.28Å; T208-V210 WeakPolarHBondContact OG1-CG1 2.84Å; T208-V210 PolarHBondContact OG1-N 3.43Å; T208-I296 HydrophobicContact CG2-CD1 3.99Å; T208-I296 HydrophobicContact CG2-CG1 4.4Å; T208-I338 HydrophobicContact CG2-CG2 4.26Å; T208-L340 HydrophobicContact CG2-CD1 4.38Å; T208-L340 HydrophobicContact CG2-CD2 3.78Å
209D98.6Very high98.8Very high125 Ų12535.9 Ų35.967%0.66820%0.201SC*.  trans53.313.6-171.5-65.9-70.1000114.6K205K205-D209 WeakPolarHBondContact O-CA 3.29Å; K205-D209 PolarHBondContact O-N 3.44Å
210V98.8Very high98.8Very high30 Ų3035.8 Ų35.818%0.18220%0.2CC..  trans-61.6140.8-171.373.20000112.1I204 K205 T208 I212 I272 I296I204-V210 HydrophobicContact CG2-CG1 3.75Å; K205-V210 WeakPolarHBondContact CE-O 3.39Å; K205-V210 PolarHBondContact NZ-O 3.06Å; T208-V210 PolarHBondContact O-N 3.2Å; T208-V210 WeakPolarHBondContact OG1-CB 3.26Å; T208-V210 VanDerWaalsContact OG1-CG1 3.28Å; T208-V210 WeakPolarHBondContact OG1-CG1 2.84Å; T208-V210 PolarHBondContact OG1-N 3.43Å; V210-I212 HydrophobicContact CG1-CD1 3.91Å; V210-I212 PolarHBondContact O-N 2.99Å; V210-I272 HydrophobicContact CG1-CD1 4.46Å; V210-I296 HydrophobicContact CB-CD1 3.76Å; V210-I296 HydrophobicContact CG1-CD1 3.63Å; V210-I296 HydrophobicContact CG2-CD1 3.87Å
211M98.8Very high98.8Very high127 Ų12736 Ų3663%0.62620%0.203SC*.  trans-72.4119.7167.8-175.6171.5-17400110.3A213 K215M211-A213 HydrophobicContact CE-CB 3.7Å; M211-A213 HydrophobicContact CG-CB 4.23Å; M211-K215 WeakPolarHBondContact O-CG 3Å; M211-K215 PolarHBondContact O-NZ 3.35Å
212I98.9Very high98.8Very high3 Ų335.8 Ų35.82%0.01520%0.202CC..  trans-77-39178.2-55.3-61.4000111.4I201 I204 V210 G214 K215 L233 F236 A238 I272I201-I212 HydrophobicContact CD1-CD1 4.46Å; I201-I212 HydrophobicContact CD1-CG1 4.41Å; I204-I212 HydrophobicContact CG2-CD1 4.12Å; V210-I212 HydrophobicContact CG1-CD1 3.91Å; V210-I212 PolarHBondContact O-N 2.99Å; I212-G214 PolarHBondContact O-N 3.4Å; I212-K215 VanDerWaalsContact O-CB 3.27Å; I212-K215 WeakPolarHBondContact O-CB 3.33Å; I212-K215 WeakPolarHBondContact O-CG 3.29Å; I212-K215 PolarHBondContact O-N 2.64Å; I212-K215 VanDerWaalsContact O-N 3.1Å; I212-L233 HydrophobicContact CG2-CD2 4.15Å; I212-F236 HydrophobicContact CB-CB 3.87Å; I212-F236 HydrophobicContact CB-CD2 4.31Å; I212-F236 HydrophobicContact CG1-CB 4.46Å; I212-F236 HydrophobicContact CG1-CD2 4.07Å; I212-F236 HydrophobicContact CG2-CB 3.66Å; I212-A238 HydrophobicContact CG2-CB 3.86Å; I212-I272 HydrophobicContact CD1-CD1 3.53Å
213A98.8Very high98.8Very high38 Ų3834.8 Ų34.831%0.31420%0.203SC..THydrogen-bonded Turntrans-56.3134.3179.200000112M211 K215 F236M211-A213 HydrophobicContact CE-CB 3.7Å; M211-A213 HydrophobicContact CG-CB 4.23Å; A213-K215 PolarHBondContact O-N 2.87Å; A213-F236 WeakPolarHBondContact CA-O 3.44Å; A213-F236 VanDerWaalsContact CB-O 3.29Å; A213-F236 WeakPolarHBondContact CB-O 3.48Å; A213-F236 PolarHBondContact N-O 3.42Å; A213-F236 VanDerWaalsContact N-O 3.15Å
214G98.5Very high98.7Very high74 Ų7436.3 Ų36.376%0.76321%0.211SC*.THydrogen-bonded Turntrans77-1.2-17900000115.1I212 G237I212-G214 PolarHBondContact O-N 3.4Å; G214-G237 PolarHBondContact N-O 2.88Å
215K98.9Very high98.7Very high57 Ų5737.7 Ų37.725%0.24822%0.22CC..  trans-83.1156.1173.7-60.2-58.7-175.4-600111.5M211 I212 A213 A238 R239 N271 I272M211-K215 WeakPolarHBondContact O-CG 3Å; M211-K215 PolarHBondContact O-NZ 3.35Å; I212-K215 VanDerWaalsContact O-CB 3.27Å; I212-K215 WeakPolarHBondContact O-CB 3.33Å; I212-K215 WeakPolarHBondContact O-CG 3.29Å; I212-K215 PolarHBondContact O-N 2.64Å; I212-K215 VanDerWaalsContact O-N 3.1Å; A213-K215 PolarHBondContact O-N 2.87Å; K215-A238 CarbonylContact O-C 3.58Å; K215-A238 VanDerWaalsContact O-CA 3.3Å; K215-A238 WeakPolarHBondContact O-CA 3.2Å; K215-R239 PolarHBondContact O-N 2.85Å; K215-N271 HydrophobicContact CB-CB 4.06Å; K215-N271 HydrophobicContact CD-CB 3.87Å; K215-N271 HydrophobicContact CG-CB 4.35Å; K215-I272 HydrophobicContact CB-CD1 4.41Å; K215-I272 HydrophobicContact CG-CD1 4.5Å
216V98.9Very high98.7Very high11 Ų1134.7 Ų34.77%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-90.9122.4161.5-174.10000107.8R239 I241 E269 N271 I272V216-R239 CarbonylContact C-O 3.56Å; V216-R239 VanDerWaalsContact CA-O 3.31Å; V216-R239 WeakPolarHBondContact CA-O 3.5Å; V216-I241 HydrophobicContact CG1-CD1 3.62Å; V216-I241 HydrophobicContact CG1-CG1 4.04Å; V216-E269 WeakPolarHBondContact CB-O 3.49Å; V216-E269 HydrophobicContact CG1-CB 4.26Å; V216-N271 PolarHBondContact N-OD1 3.48Å; V216-N271 WeakPolarHBondContact O-CB 3.27Å; V216-N271 PolarHBondContact O-N 2.93Å; V216-I272 PolarHBondContact O-N 3.46Å
217A98.9Very high98.7Very high0 Ų030.6 Ų30.60%019%0.192CC..EExtended strand (participates in β ladder)trans-113.3128.717500000109.7L233 A238 R239 V240 I241 I272A217-L233 HydrophobicContact CB-CB 4.36Å; A217-L233 HydrophobicContact CB-CD1 3.86Å; A217-L233 HydrophobicContact CB-CD2 3.97Å; A217-L233 HydrophobicContact CB-CG 4.3Å; A217-A238 HydrophobicContact CB-CB 4.14Å; A217-R239 PolarHBondContact N-O 3.04Å; A217-V240 CarbonylContact O-C 3.59Å; A217-V240 VanDerWaalsContact O-CA 3.27Å; A217-V240 WeakPolarHBondContact O-CA 3.29Å; A217-I241 PolarHBondContact O-N 2.95Å; A217-I272 CarbonylContact C-O 3.58Å; A217-I272 VanDerWaalsContact CA-O 3.32Å; A217-I272 WeakPolarHBondContact CA-O 3.43Å; A217-I272 HydrophobicContact CB-CB 4.16Å
218V98.9Very high98.7Very high0 Ų030.2 Ų30.20%019%0.189CC..EExtended strand (participates in β ladder)trans-105.3123.6178.4-176.30000108.1I241 T243 M263 A266 I272 F273 V274V218-I241 CarbonylContact C-O 3.54Å; V218-I241 WeakPolarHBondContact CA-O 3.22Å; V218-I241 HydrophobicContact CG2-CB 4.31Å; V218-T243 HydrophobicContact CG1-CG2 4.2Å; V218-M263 HydrophobicContact CG1-CE 3.89Å; V218-M263 HydrophobicContact CG1-SD 4.2Å; V218-A266 HydrophobicContact CB-CB 4.47Å; V218-A266 HydrophobicContact CG1-CB 3.69Å; V218-A266 HydrophobicContact CG2-CB 3.9Å; V218-I272 PolarHBondContact N-O 2.71Å; V218-F273 HydrophobicContact CB-CD1 3.65Å; V218-F273 HydrophobicContact CB-CE1 3.85Å; V218-F273 HydrophobicContact CB-CG 4.47Å; V218-F273 HydrophobicContact CG1-CD1 4.14Å; V218-F273 HydrophobicContact CG1-CE1 4.32Å; V218-F273 HydrophobicContact CG2-CD1 3.99Å; V218-F273 HydrophobicContact CG2-CE1 3.66Å; V218-F273 HydrophobicContact CG2-CZ 4.32Å; V218-F273 WeakPolarHBondContact O-CA 3.33Å; V218-V274 PolarHBondContact O-N 2.86Å
219V98.9Very high98.7Very high0 Ų028.6 Ų28.60%018%0.179CC..EExtended strand (participates in β ladder)trans-113.6116.8176.2-175.30000108.6C229 V230 L233 V240 I241 V242 T243 V274 T276V219-C229 HydrophobicContact CG1-CB 4.2Å; V219-V230 HydrophobicContact CB-CG1 3.75Å; V219-V230 HydrophobicContact CG1-CG1 3.99Å; V219-V230 HydrophobicContact CG2-CG1 3.72Å; V219-L233 HydrophobicContact CG2-CD1 3.59Å; V219-V240 HydrophobicContact CG2-CG1 4.08Å; V219-I241 PolarHBondContact N-O 3.36Å; V219-V242 WeakPolarHBondContact O-CA 3.2Å; V219-T243 PolarHBondContact O-N 3.45Å; V219-V274 CarbonylContact C-O 3.23Å; V219-V274 WeakPolarHBondContact CA-O 3.34Å; V219-V274 HydrophobicContact CG2-CB 4.4Å; V219-T276 HydrophobicContact CG1-CG2 3.81Å
220A98.9Very high98.7Very high0 Ų022.6 Ų22.60%015%0.147CC..EExtended strand (participates in β ladder)trans-89.1119175.300000110.1T243 M263 V274 T276 T277 I282A220-T243 VanDerWaalsContact CA-OG1 3.27Å; A220-T243 WeakPolarHBondContact CA-OG1 3.37Å; A220-T243 WeakPolarHBondContact CB-OG1 3.46Å; A220-M263 HydrophobicContact CB-CE 3.88Å; A220-V274 PolarHBondContact N-O 3.18Å; A220-T276 WeakPolarHBondContact O-CA 3.18Å; A220-T276 WeakPolarHBondContact O-CB 2.89Å; A220-T276 PolarHBondContact O-N 2.83Å; A220-T276 PolarHBondContact O-OG1 3.12Å; A220-T277 HydrophobicContact CB-CG2 4Å; A220-T277 VanDerWaalsContact O-CG2 3.28Å; A220-T277 WeakPolarHBondContact O-CG2 3.33Å; A220-I282 HydrophobicContact CB-CG2 3.46Å; A220-I282 VanDerWaalsContact CB-CG2 3.46Å
221G98.7Very high98.7Very high6 Ų624.5 Ų24.56%0.06215%0.154CC..  trans91.5139.9-17100000112.6G226 T243 T276G221-G226 WeakPolarHBondContact O-CA 3.34Å; G221-T243 PolarHBondContact N-O 2.82Å; G221-T276 PolarHBondContact O-OG1 2.98Å; G221-T276 VanDerWaalsContact O-OG1 3.06Å
222Y98.8Very high98.7Very high7 Ų718.8 Ų18.83%0.02713%0.127CC..  trans-132.433.3-179.9-158.2-101.7000110.8K227 V230 V242 E244 N249 Q252 A253 Y258Y222-K227 HydrophobicContact CD1-CG 3.82Å; Y222-K227 HydrophobicContact CE1-CD 4.26Å; Y222-K227 HydrophobicContact CE1-CG 3.57Å; Y222-K227 HydrophobicContact CE2-CG 4.4Å; Y222-K227 HydrophobicContact CG-CG 4.28Å; Y222-K227 PolarHBondContact O-NZ 3.49Å; Y222-V230 HydrophobicContact CD2-CG1 4.03Å; Y222-V230 HydrophobicContact CD2-CG2 4.13Å; Y222-V230 HydrophobicContact CE2-CB 4.12Å; Y222-V230 HydrophobicContact CE2-CG1 3.91Å; Y222-V230 HydrophobicContact CE2-CG2 3.35Å; Y222-V242 HydrophobicContact CD2-CB 4.49Å; Y222-V242 HydrophobicContact CD2-CG1 3.85Å; Y222-V242 HydrophobicContact CD2-CG2 3.79Å; Y222-V242 HydrophobicContact CE2-CG2 4.06Å; Y222-V242 HydrophobicContact CG-CG1 4.15Å; Y222-E244 WeakPolarHBondContact CA-OE1 3.44Å; Y222-E244 PolarHBondContact N-OE1 3.25Å; Y222-N249 WeakPolarHBondContact CD1-O 3.23Å; Y222-N249 PolarHBondContact O-OD1 3.28Å; Y222-Q252 HydrophobicContact CD1-CB 4.35Å; Y222-Q252 HydrophobicContact CE1-CB 4Å; Y222-A253 HydrophobicContact CD1-CB 3.79Å; Y222-A253 HydrophobicContact CD2-CB 3.81Å; Y222-A253 HydrophobicContact CE1-CB 3.78Å; Y222-A253 HydrophobicContact CE2-CB 3.72Å; Y222-A253 HydrophobicContact CG-CB 3.83Å; Y222-Y258 HydrophobicContact CE2-CD2 4.05Å; Y222-Y258 HydrophobicContact CE2-CE2 4.23Å; Y222-Y258 WeakPolarHBondContact OH-CE2 3.4Å
223G97.9Very high98.7Very high30 Ų3018.6 Ų18.631%0.30913%0.126SC..SBendtrans-67.2-162.2162.300000112V225 G226 K227G223-V225 PolarHBondContact O-N 3.32Å; G223-G226 PolarHBondContact O-N 2.84Å; G223-K227 WeakPolarHBondContact O-CB 3.5Å; G223-K227 VanDerWaalsContact O-CG 3.23Å; G223-K227 WeakPolarHBondContact O-CG 3.21Å; G223-K227 PolarHBondContact O-N 3.29Å
224D98.3Very high98.7Very high32 Ų3222.6 Ų22.617%0.17113%0.133CC..Hα-helixtrans-64-41.4-177.7-67.9-32.3000112.6K189 N192 K227 G228K189-D224 WeakPolarHBondContact CD-OD1 3.36Å; K189-D224 VanDerWaalsContact CE-OD1 3.27Å; K189-D224 WeakPolarHBondContact CE-OD1 3.45Å; K189-D224 IonicContact NZ-OD1 2.78Å; K189-D224 PolarHBondContact NZ-OD1 3.08Å; K189-D224 IonicContact NZ-OD2 3.49Å; K189-D224 PolarHBondContact NZ-OD2 3.5Å; N192-D224 HydrophobicContact CB-CB 3.77Å; D224-K227 PolarHBondContact O-N 3.08Å; D224-G228 PolarHBondContact O-N 3.2Å
225V98.5Very high98.7Very high29 Ų2923.1 Ų23.118%0.17613%0.13CC..Hα-helixtrans-60-53.6173.21770000111N192 C196 G223 K227 G228 C229 T276 I300N192-V225 HydrophobicContact CB-CG2 3.99Å; N192-V225 VanDerWaalsContact O-CA 3.29Å; N192-V225 WeakPolarHBondContact O-CA 3.48Å; C196-V225 HydrophobicContact CB-CG1 4.29Å; G223-V225 PolarHBondContact O-N 3.32Å; V225-K227 VanDerWaalsContact C-N 3.32Å; V225-K227 PolarHBondContact O-N 2.69Å; V225-G228 PolarHBondContact O-N 3.01Å; V225-C229 PolarHBondContact O-N 2.7Å; V225-C229 PolarHBondContact O-SG 2.75Å; V225-T276 HydrophobicContact CG1-CG2 3.89Å; V225-I300 HydrophobicContact CG1-CG2 3.75Å
226G98.7Very high98.7Very high0 Ų025.6 Ų25.60%014%0.141CC..Hα-helixtrans-55.4-45.2177.200000112.6G221 G223 G228 C229 V230G221-G226 WeakPolarHBondContact O-CA 3.34Å; G223-G226 PolarHBondContact O-N 2.84Å; G226-G228 VanDerWaalsContact C-N 3.29Å; G226-G228 PolarHBondContact O-N 3.45Å; G226-C229 WeakPolarHBondContact O-CB 3.48Å; G226-C229 PolarHBondContact O-N 3.43Å; G226-C229 VanDerWaalsContact O-N 3.15Å; G226-V230 WeakPolarHBondContact O-CG1 3.46Å; G226-V230 WeakPolarHBondContact O-CG2 3.42Å; G226-V230 PolarHBondContact O-N 3.15Å
227K98.9Very high98.7Very high31 Ų3127 Ų2714%0.13516%0.158CC..Hα-helixtrans-59.4-35.5175.1-76.4175.2175.2810112.9L193 Y222 G223 D224 V225 V230 Q231 N249 Q252L193-K227 HydrophobicContact CD1-CB 3.65Å; Y222-K227 HydrophobicContact CD1-CG 3.82Å; Y222-K227 HydrophobicContact CE1-CD 4.26Å; Y222-K227 HydrophobicContact CE1-CG 3.57Å; Y222-K227 HydrophobicContact CE2-CG 4.4Å; Y222-K227 HydrophobicContact CG-CG 4.28Å; Y222-K227 PolarHBondContact O-NZ 3.49Å; G223-K227 WeakPolarHBondContact O-CB 3.5Å; G223-K227 VanDerWaalsContact O-CG 3.23Å; G223-K227 WeakPolarHBondContact O-CG 3.21Å; G223-K227 PolarHBondContact O-N 3.29Å; D224-K227 PolarHBondContact O-N 3.08Å; V225-K227 VanDerWaalsContact C-N 3.32Å; V225-K227 PolarHBondContact O-N 2.69Å; K227-V230 WeakPolarHBondContact O-CG2 3.38Å; K227-Q231 WeakPolarHBondContact O-CG 3.31Å; K227-Q231 PolarHBondContact O-N 3.17Å; K227-N249 PolarHBondContact NZ-OD1 3.09Å; K227-Q252 VanDerWaalsContact CE-OE1 3.23Å
228G98.8Very high98.7Very high0 Ų027.4 Ų27.40%016%0.161CC..Hα-helixtrans-68.6-47.8173.300000111.7L193 R197 D224 V225 G226 Q231 A232L193-G228 VanDerWaalsContact O-CA 3.26Å; L193-G228 WeakPolarHBondContact O-CA 3.39Å; R197-G228 WeakPolarHBondContact CA-O 3.26Å; R197-G228 WeakPolarHBondContact CB-O 3.3Å; R197-G228 WeakPolarHBondContact CG-O 3.5Å; D224-G228 PolarHBondContact O-N 3.2Å; V225-G228 PolarHBondContact O-N 3.01Å; G226-G228 VanDerWaalsContact C-N 3.29Å; G226-G228 PolarHBondContact O-N 3.45Å; G228-Q231 PolarHBondContact O-N 3.3Å; G228-A232 PolarHBondContact O-N 2.92Å; G228-A232 VanDerWaalsContact O-N 3.12Å
229C98.9Very high98.7Very high0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-60.9-49.5-177.3-65.40000112.6L200 V219 V225 G226 Q231 A232 L233L200-C229 HydrophobicContact CD2-CB 3.52Å; V219-C229 HydrophobicContact CG1-CB 4.2Å; V225-C229 PolarHBondContact O-N 2.7Å; V225-C229 PolarHBondContact O-SG 2.75Å; G226-C229 WeakPolarHBondContact O-CB 3.48Å; G226-C229 PolarHBondContact O-N 3.43Å; G226-C229 VanDerWaalsContact O-N 3.15Å; C229-Q231 VanDerWaalsContact C-N 3.32Å; C229-Q231 PolarHBondContact O-N 3.16Å; C229-A232 PolarHBondContact O-N 3.31Å; C229-L233 WeakPolarHBondContact O-CD1 3.38Å; C229-L233 WeakPolarHBondContact O-CG 3.28Å; C229-L233 PolarHBondContact O-N 3.43Å
230V98.9Very high98.7Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-64-34.8179.7-630000112.7V219 Y222 G226 K227 R234 V240 V242 Y258V219-V230 HydrophobicContact CB-CG1 3.75Å; V219-V230 HydrophobicContact CG1-CG1 3.99Å; V219-V230 HydrophobicContact CG2-CG1 3.72Å; Y222-V230 HydrophobicContact CD2-CG1 4.03Å; Y222-V230 HydrophobicContact CD2-CG2 4.13Å; Y222-V230 HydrophobicContact CE2-CB 4.12Å; Y222-V230 HydrophobicContact CE2-CG1 3.91Å; Y222-V230 HydrophobicContact CE2-CG2 3.35Å; G226-V230 WeakPolarHBondContact O-CG1 3.46Å; G226-V230 WeakPolarHBondContact O-CG2 3.42Å; G226-V230 PolarHBondContact O-N 3.15Å; K227-V230 WeakPolarHBondContact O-CG2 3.38Å; V230-R234 VanDerWaalsContact O-CB 3.23Å; V230-R234 WeakPolarHBondContact O-CB 2.97Å; V230-R234 PolarHBondContact O-N 2.6Å; V230-R234 VanDerWaalsContact O-N 3.12Å; V230-V240 HydrophobicContact CB-CG1 3.98Å; V230-V240 HydrophobicContact CG1-CG1 3.74Å; V230-V242 HydrophobicContact CG1-CG2 3.84Å; V230-Y258 HydrophobicContact CB-CE1 4.17Å; V230-Y258 HydrophobicContact CB-CE2 4.41Å; V230-Y258 HydrophobicContact CG2-CE2 4.1Å; V230-Y258 PolarHBondContact O-OH 2.83Å
231Q98.8Very high98.7Very high69 Ų6933.1 Ų33.132%0.32218%0.183SC..Hα-helixtrans-66.4-44.5175.5-75.5177.217.200110.6R197 K227 G228 C229 A235R197-Q231 VanDerWaalsContact CD-OE1 3.25Å; R197-Q231 HydrophobicContact CG-CB 4.24Å; K227-Q231 WeakPolarHBondContact O-CG 3.31Å; K227-Q231 PolarHBondContact O-N 3.17Å; G228-Q231 PolarHBondContact O-N 3.3Å; C229-Q231 VanDerWaalsContact C-N 3.32Å; C229-Q231 PolarHBondContact O-N 3.16Å; Q231-A235 VanDerWaalsContact O-CB 3.29Å; Q231-A235 WeakPolarHBondContact O-CB 3.48Å; Q231-A235 PolarHBondContact O-N 3.33Å
232A98.8Very high98.7Very high7 Ų732.8 Ų32.86%0.05818%0.181CC..Hα-helixtrans-63.5-50.2-179.900000112.5R197 I201 G228 C229 R234 A235 F236R197-A232 HydrophobicContact CG-CB 4.05Å; R197-A232 WeakPolarHBondContact O-CB 3.39Å; I201-A232 HydrophobicContact CD1-CB 4.34Å; I201-A232 HydrophobicContact CG1-CB 3.71Å; G228-A232 PolarHBondContact O-N 2.92Å; G228-A232 VanDerWaalsContact O-N 3.12Å; C229-A232 PolarHBondContact O-N 3.31Å; A232-R234 PolarHBondContact O-N 3.26Å; A232-A235 PolarHBondContact O-N 2.97Å; A232-F236 PolarHBondContact O-N 3.42Å; A232-F236 VanDerWaalsContact O-N 3.16Å
233L98.9Very high98.7Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-61.2-44.6-179.8-71.8161.4000111.3L200 I201 I212 A217 V219 C229 F236 G237 A238 V240 V274L200-L233 HydrophobicContact CD2-CD1 4.07Å; L200-L233 HydrophobicContact CD2-CG 4.2Å; I201-L233 HydrophobicContact CD1-CD2 3.72Å; I201-L233 HydrophobicContact CD1-CG 4.13Å; I212-L233 HydrophobicContact CG2-CD2 4.15Å; A217-L233 HydrophobicContact CB-CB 4.36Å; A217-L233 HydrophobicContact CB-CD1 3.86Å; A217-L233 HydrophobicContact CB-CD2 3.97Å; A217-L233 HydrophobicContact CB-CG 4.3Å; V219-L233 HydrophobicContact CG2-CD1 3.59Å; C229-L233 WeakPolarHBondContact O-CD1 3.38Å; C229-L233 WeakPolarHBondContact O-CG 3.28Å; C229-L233 PolarHBondContact O-N 3.43Å; L233-F236 PolarHBondContact O-N 3.07Å; L233-G237 PolarHBondContact O-N 3.35Å; L233-A238 HydrophobicContact CB-CB 4.32Å; L233-A238 WeakPolarHBondContact O-CB 3.36Å; L233-A238 PolarHBondContact O-N 2.92Å; L233-A238 VanDerWaalsContact O-N 3.09Å; L233-V240 HydrophobicContact CB-CG2 3.76Å; L233-V274 HydrophobicContact CD1-CG2 4.31Å
234R98.8Very high98.8Very high122 Ų12234.1 Ų34.146%0.4618%0.18SC..Hα-helixtrans-63.9-42.3176.6-176.4178.6-178.2170.52.3112V230 A232 F236 G237 V240 E256 Y258V230-R234 VanDerWaalsContact O-CB 3.23Å; V230-R234 WeakPolarHBondContact O-CB 2.97Å; V230-R234 PolarHBondContact O-N 2.6Å; V230-R234 VanDerWaalsContact O-N 3.12Å; A232-R234 PolarHBondContact O-N 3.26Å; R234-F236 PolarHBondContact O-N 2.89Å; R234-G237 PolarHBondContact O-N 3.38Å; R234-V240 HydrophobicContact CB-CG2 4.12Å; R234-E256 PolarHBondContact NH1-O 3.21Å; R234-Y258 HydrophobicContact CB-CE1 4.26Å; R234-Y258 WeakPolarHBondContact CD-OH 3.14Å
235A98.6Very high98.8Very high84 Ų8440.5 Ų40.569%0.69421%0.213SC*.Hα-helixtrans-61.5-29.5178.600000112.5Q231 A232 G237Q231-A235 VanDerWaalsContact O-CB 3.29Å; Q231-A235 WeakPolarHBondContact O-CB 3.48Å; Q231-A235 PolarHBondContact O-N 3.33Å; A232-A235 PolarHBondContact O-N 2.97Å; A235-G237 VanDerWaalsContact C-N 3.29Å
236F98.7Very high98.8Very high109 Ų10942 Ų4248%0.47822%0.22SC..THydrogen-bonded Turntrans-88.110.7173.4-86.723.8000114I201 I212 A213 A232 L233 R234I201-F236 HydrophobicContact CG2-CD2 3.72Å; I201-F236 HydrophobicContact CG2-CE2 3.4Å; I201-F236 VanDerWaalsContact CG2-CE2 3.4Å; I201-F236 HydrophobicContact CG2-CZ 4.2Å; I212-F236 HydrophobicContact CB-CB 3.87Å; I212-F236 HydrophobicContact CB-CD2 4.31Å; I212-F236 HydrophobicContact CG1-CB 4.46Å; I212-F236 HydrophobicContact CG1-CD2 4.07Å; I212-F236 HydrophobicContact CG2-CB 3.66Å; A213-F236 WeakPolarHBondContact CA-O 3.44Å; A213-F236 VanDerWaalsContact CB-O 3.29Å; A213-F236 WeakPolarHBondContact CB-O 3.48Å; A213-F236 PolarHBondContact N-O 3.42Å; A213-F236 VanDerWaalsContact N-O 3.15Å; A232-F236 PolarHBondContact O-N 3.42Å; A232-F236 VanDerWaalsContact O-N 3.16Å; L233-F236 PolarHBondContact O-N 3.07Å; R234-F236 PolarHBondContact O-N 2.89Å
237G98.8Very high98.8Very high41 Ų4146.8 Ų46.842%0.42325%0.251SS..THydrogen-bonded Turntrans84.819171.400000115.4G214 L233 R234 A235G214-G237 PolarHBondContact N-O 2.88Å; L233-G237 PolarHBondContact O-N 3.35Å; R234-G237 PolarHBondContact O-N 3.38Å; A235-G237 VanDerWaalsContact C-N 3.29Å
238A98.9Very high98.8Very high8 Ų850.8 Ų50.87%0.06627%0.272CS..  trans-78.2146.1169.200000111.3I212 K215 A217 L233 V240I212-A238 HydrophobicContact CG2-CB 3.86Å; K215-A238 CarbonylContact O-C 3.58Å; K215-A238 VanDerWaalsContact O-CA 3.3Å; K215-A238 WeakPolarHBondContact O-CA 3.2Å; A217-A238 HydrophobicContact CB-CB 4.14Å; L233-A238 HydrophobicContact CB-CB 4.32Å; L233-A238 WeakPolarHBondContact O-CB 3.36Å; L233-A238 PolarHBondContact O-N 2.92Å; L233-A238 VanDerWaalsContact O-N 3.09Å; A238-V240 HydrophobicContact CB-CG2 4.33Å
239R98.9Very high98.8Very high112 Ų11252.3 Ų52.342%0.42328%0.281SS..EExtended strand (participates in β ladder)trans-78.2119.3159.4177170.16497.5-6.1107.4K215 V216 A217 E259 E269K215-R239 PolarHBondContact O-N 2.85Å; V216-R239 CarbonylContact C-O 3.56Å; V216-R239 VanDerWaalsContact CA-O 3.31Å; V216-R239 WeakPolarHBondContact CA-O 3.5Å; A217-R239 PolarHBondContact N-O 3.04Å; R239-E259 IonicContact NH1-OE2 3.97Å; R239-E259 PolarHBondContact NH1-OE2 2.93Å; R239-E269 IonicContact CZ-OE2 3.38Å; R239-E269 IonicContact NH1-OE2 2.91Å; R239-E269 PolarHBondContact NH1-OE2 3.36Å; R239-E269 IonicContact NH2-OE2 2.75Å; R239-E269 PolarHBondContact NH2-OE2 3.23Å
240V98.9Very high98.8Very high8 Ų853.3 Ų53.35%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-104.6128.3-174.6-174.50000110.6A217 V219 V230 L233 R234 A238 Y258A217-V240 CarbonylContact O-C 3.59Å; A217-V240 VanDerWaalsContact O-CA 3.27Å; A217-V240 WeakPolarHBondContact O-CA 3.29Å; V219-V240 HydrophobicContact CG2-CG1 4.08Å; V230-V240 HydrophobicContact CB-CG1 3.98Å; V230-V240 HydrophobicContact CG1-CG1 3.74Å; L233-V240 HydrophobicContact CB-CG2 3.76Å; R234-V240 HydrophobicContact CB-CG2 4.12Å; A238-V240 HydrophobicContact CB-CG2 4.33Å; V240-Y258 HydrophobicContact CB-CD1 3.8Å; V240-Y258 HydrophobicContact CB-CE1 3.87Å; V240-Y258 HydrophobicContact CG1-CD1 4.17Å; V240-Y258 HydrophobicContact CG1-CE1 4.28Å; V240-Y258 HydrophobicContact CG2-CE1 4.37Å
241I98.9Very high98.8Very high0 Ų058.5 Ų58.50%032%0.316CS..EExtended strand (participates in β ladder)trans-108.2139.7171.9-57.1176.5000107.8V216 A217 V218 V219 E259 T261 A266 E269V216-I241 HydrophobicContact CG1-CD1 3.62Å; V216-I241 HydrophobicContact CG1-CG1 4.04Å; A217-I241 PolarHBondContact O-N 2.95Å; V218-I241 CarbonylContact C-O 3.54Å; V218-I241 WeakPolarHBondContact CA-O 3.22Å; V218-I241 HydrophobicContact CG2-CB 4.31Å; V219-I241 PolarHBondContact N-O 3.36Å; I241-E259 HydrophobicContact CG1-CB 4.44Å; I241-E259 HydrophobicContact CG2-CG 4.46Å; I241-T261 HydrophobicContact CG2-CG2 3.66Å; I241-A266 HydrophobicContact CG2-CB 4.03Å; I241-E269 HydrophobicContact CD1-CB 4.28Å
242V98.9Very high98.8Very high0 Ų059.2 Ų59.20%032%0.319CS..EExtended strand (participates in β ladder)trans-114.2142.4179174.70000110V219 Y222 V230 E244 A253 Y258 E259 V260 T261V219-V242 WeakPolarHBondContact O-CA 3.2Å; Y222-V242 HydrophobicContact CD2-CB 4.49Å; Y222-V242 HydrophobicContact CD2-CG1 3.85Å; Y222-V242 HydrophobicContact CD2-CG2 3.79Å; Y222-V242 HydrophobicContact CE2-CG2 4.06Å; Y222-V242 HydrophobicContact CG-CG1 4.15Å; V230-V242 HydrophobicContact CG1-CG2 3.84Å; V242-E244 HydrophobicContact CG1-CG 4.25Å; V242-A253 HydrophobicContact CB-CB 4.27Å; V242-A253 HydrophobicContact CG1-CB 4.07Å; V242-A253 HydrophobicContact CG2-CB 4.22Å; V242-Y258 HydrophobicContact CG2-CG 4.34Å; V242-E259 PolarHBondContact N-O 3.02Å; V242-V260 HydrophobicContact CB-CG2 4.36Å; V242-V260 WeakPolarHBondContact O-CA 3.32Å; V242-T261 PolarHBondContact O-N 3.05Å
243T98.9Very high98.8Very high18 Ų1858.9 Ų58.911%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-113.9137.6163.679.30000109.3V218 V219 A220 G221 T261 M263V218-T243 HydrophobicContact CG1-CG2 4.2Å; V219-T243 PolarHBondContact O-N 3.45Å; A220-T243 VanDerWaalsContact CA-OG1 3.27Å; A220-T243 WeakPolarHBondContact CA-OG1 3.37Å; A220-T243 WeakPolarHBondContact CB-OG1 3.46Å; G221-T243 PolarHBondContact N-O 2.82Å; T243-T261 WeakPolarHBondContact CA-O 3.48Å; T243-T261 WeakPolarHBondContact CB-O 3.41Å; T243-T261 WeakPolarHBondContact CG2-O 3.14Å; T243-M263 HydrophobicContact CG2-CB 4.35Å; T243-M263 HydrophobicContact CG2-CE 4.12Å
244E98.8Very high98.8Very high47 Ų4761.3 Ų61.322%0.2234%0.336CS..  trans-149.3148.3-178.6-104.5-62.917600111.8Y222 V242 D246 N249 A250Y222-E244 WeakPolarHBondContact CA-OE1 3.44Å; Y222-E244 PolarHBondContact N-OE1 3.25Å; V242-E244 HydrophobicContact CG1-CG 4.25Å; E244-D246 PolarHBondContact OE2-N 3.07Å; E244-N249 HydrophobicContact CG-CB 3.99Å; E244-N249 WeakPolarHBondContact OE1-CB 3.42Å; E244-A250 HydrophobicContact CB-CB 3.92Å
245I98.6Very high98.8Very high166 Ų16662.6 Ų62.685%0.85135%0.35SS*.SBendtrans-103.7-24.1172.662.6170.6000111.4
246D98.6Very high98.8Very high60 Ų6064.2 Ų64.232%0.32134%0.343SS..  trans-88.3118.5178.4-175.6-30000110E244 I248 N249 A250E244-D246 PolarHBondContact OE2-N 3.07Å; D246-I248 PolarHBondContact O-N 3.01Å; D246-I248 WeakPolarHBondContact OD1-CA 3.32Å; D246-I248 VanDerWaalsContact OD1-CB 3.31Å; D246-I248 WeakPolarHBondContact OD1-CB 3.48Å; D246-I248 PolarHBondContact OD1-N 2.73Å; D246-N249 HydrophobicContact CB-CB 4.19Å; D246-N249 PolarHBondContact O-N 2.8Å; D246-N249 PolarHBondContact OD2-ND2 3.36Å; D246-A250 WeakPolarHBondContact O-CB 3.33Å; D246-A250 PolarHBondContact O-N 3.47Å
247P98.5Very high98.8Very high101 Ų10161.9 Ų61.966%0.65635%0.35SS*.Hα-helixtrans-63.5-25.9-178.826.8-35.2000113.7L251P247-L251 VanDerWaalsContact O-CB 3.24Å; P247-L251 WeakPolarHBondContact O-CB 3.35Å; P247-L251 PolarHBondContact O-N 3.23Å
248I98.8Very high98.8Very high115 Ų11560.9 Ų60.959%0.5933%0.333SS*.Hα-helixtrans-70.1-48.8176-59.7175.3000109.5D246 L251 Q252D246-I248 PolarHBondContact O-N 3.01Å; D246-I248 WeakPolarHBondContact OD1-CA 3.32Å; D246-I248 VanDerWaalsContact OD1-CB 3.31Å; D246-I248 WeakPolarHBondContact OD1-CB 3.48Å; D246-I248 PolarHBondContact OD1-N 2.73Å; I248-L251 PolarHBondContact O-N 3.05Å; I248-Q252 WeakPolarHBondContact O-CG 3.4Å; I248-Q252 PolarHBondContact O-N 3.18Å
249N98.8Very high98.8Very high32 Ų3264.5 Ų64.517%0.17135%0.349CS..Hα-helixtrans-67.1-39.8178.5-69.8-52.2000111.5Y222 K227 E244 D246 Q252 A253Y222-N249 WeakPolarHBondContact CD1-O 3.23Å; Y222-N249 PolarHBondContact O-OD1 3.28Å; K227-N249 PolarHBondContact NZ-OD1 3.09Å; E244-N249 HydrophobicContact CG-CB 3.99Å; E244-N249 WeakPolarHBondContact OE1-CB 3.42Å; D246-N249 HydrophobicContact CB-CB 4.19Å; D246-N249 PolarHBondContact O-N 2.8Å; D246-N249 PolarHBondContact OD2-ND2 3.36Å; N249-Q252 WeakPolarHBondContact O-CB 3.48Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-Q252 PolarHBondContact OD1-OE1 3.29Å; N249-A253 PolarHBondContact O-N 3.33Å
250A98.9Very high98.8Very high21 Ų2161.8 Ų61.817%0.17434%0.344CS..Hα-helixtrans-59.1-46.3173.200000111.8E244 D246 Q252 A253 A254 V260E244-A250 HydrophobicContact CB-CB 3.92Å; D246-A250 WeakPolarHBondContact O-CB 3.33Å; D246-A250 PolarHBondContact O-N 3.47Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; A250-Q252 PolarHBondContact O-N 2.81Å; A250-A253 PolarHBondContact O-N 2.71Å; A250-A254 PolarHBondContact O-N 3.39Å; A250-V260 HydrophobicContact CB-CG1 4.09Å
251L98.9Very high98.8Very high108 Ų10863.4 Ų63.457%0.56535%0.354SS*.Hα-helixtrans-63.7-40.1176.6-177.660.8000111.4P247 I248 A253 A254 M255P247-L251 VanDerWaalsContact O-CB 3.24Å; P247-L251 WeakPolarHBondContact O-CB 3.35Å; P247-L251 PolarHBondContact O-N 3.23Å; I248-L251 PolarHBondContact O-N 3.05Å; L251-A253 PolarHBondContact O-N 2.56Å; L251-A254 PolarHBondContact O-N 2.99Å; L251-M255 HydrophobicContact CD1-CG 4.11Å; L251-M255 HydrophobicContact CD1-SD 4.49Å; L251-M255 HydrophobicContact CG-CG 4.27Å; L251-M255 WeakPolarHBondContact O-CB 3.32Å; L251-M255 WeakPolarHBondContact O-CG 2.97Å; L251-M255 PolarHBondContact O-N 2.87Å
252Q98.9Very high98.8Very high84 Ų8466.9 Ų66.939%0.39338%0.376SS..Hα-helixtrans-58.5-46.8173.4-73179.2-39.900111.8Y222 K227 I248 N249 A250 A254 M255 E256Y222-Q252 HydrophobicContact CD1-CB 4.35Å; Y222-Q252 HydrophobicContact CE1-CB 4Å; K227-Q252 VanDerWaalsContact CE-OE1 3.23Å; I248-Q252 WeakPolarHBondContact O-CG 3.4Å; I248-Q252 PolarHBondContact O-N 3.18Å; N249-Q252 WeakPolarHBondContact O-CB 3.48Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-Q252 PolarHBondContact OD1-OE1 3.29Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; A250-Q252 PolarHBondContact O-N 2.81Å; Q252-A254 PolarHBondContact O-N 3.06Å; Q252-M255 PolarHBondContact O-N 2.9Å; Q252-E256 WeakPolarHBondContact O-CG 3.32Å; Q252-E256 PolarHBondContact O-N 3.08Å; Q252-E256 VanDerWaalsContact O-N 3.12Å
253A98.9Very high98.8Very high0 Ų067.7 Ų67.70%038%0.38CS..Hα-helixtrans-60.4-45.4177.400000112Y222 V242 N249 A250 L251 M255 E256 G257 Y258 V260Y222-A253 HydrophobicContact CD1-CB 3.79Å; Y222-A253 HydrophobicContact CD2-CB 3.81Å; Y222-A253 HydrophobicContact CE1-CB 3.78Å; Y222-A253 HydrophobicContact CE2-CB 3.72Å; Y222-A253 HydrophobicContact CG-CB 3.83Å; V242-A253 HydrophobicContact CB-CB 4.27Å; V242-A253 HydrophobicContact CG1-CB 4.07Å; V242-A253 HydrophobicContact CG2-CB 4.22Å; N249-A253 PolarHBondContact O-N 3.33Å; A250-A253 PolarHBondContact O-N 2.71Å; L251-A253 PolarHBondContact O-N 2.56Å; A253-M255 VanDerWaalsContact C-N 3.34Å; A253-M255 PolarHBondContact O-N 2.83Å; A253-E256 PolarHBondContact O-N 2.97Å; A253-G257 PolarHBondContact O-N 3.42Å; A253-Y258 HydrophobicContact CB-CD2 4.49Å; A253-Y258 WeakPolarHBondContact O-CB 3.32Å; A253-Y258 WeakPolarHBondContact O-CD2 3.3Å; A253-Y258 PolarHBondContact O-N 3Å; A253-V260 HydrophobicContact CB-CG2 3.76Å
254A98.8Very high98.8Very high51 Ų5170.2 Ų70.242%0.42139%0.393SS..Hα-helixtrans-61.7-41.2177.100000112.2A250 L251 Q252 E256 G257 V260A250-A254 PolarHBondContact O-N 3.39Å; L251-A254 PolarHBondContact O-N 2.99Å; Q252-A254 PolarHBondContact O-N 3.06Å; A254-E256 PolarHBondContact O-N 3.08Å; A254-G257 WeakPolarHBondContact O-CA 3.45Å; A254-G257 PolarHBondContact O-N 3.28Å; A254-V260 HydrophobicContact CB-CG2 4.33Å
255M98.7Very high98.8Very high150 Ų15072.2 Ų72.274%0.73940%0.402SS*.Hα-helixtrans-67.4-23.6178.5-70.1-59.5-61.400113.5L251 Q252 A253 G257L251-M255 HydrophobicContact CD1-CG 4.11Å; L251-M255 HydrophobicContact CD1-SD 4.49Å; L251-M255 HydrophobicContact CG-CG 4.27Å; L251-M255 WeakPolarHBondContact O-CB 3.32Å; L251-M255 WeakPolarHBondContact O-CG 2.97Å; L251-M255 PolarHBondContact O-N 2.87Å; Q252-M255 PolarHBondContact O-N 2.9Å; A253-M255 VanDerWaalsContact C-N 3.34Å; A253-M255 PolarHBondContact O-N 2.83Å; M255-G257 VanDerWaalsContact C-N 3.28Å
256E98.7Very high98.8Very high117 Ų11764.3 Ų64.355%0.54736%0.362SS..THydrogen-bonded Turntrans-84-2.4171.3-66.1-67.9167.300112.7R234 Q252 A253 A254 Y258R234-E256 PolarHBondContact NH1-O 3.21Å; Q252-E256 WeakPolarHBondContact O-CG 3.32Å; Q252-E256 PolarHBondContact O-N 3.08Å; Q252-E256 VanDerWaalsContact O-N 3.12Å; A253-E256 PolarHBondContact O-N 2.97Å; A254-E256 PolarHBondContact O-N 3.08Å; E256-Y258 HydrophobicContact CB-CD2 3.66Å; E256-Y258 HydrophobicContact CB-CE2 3.53Å; E256-Y258 HydrophobicContact CG-CE2 4.45Å
257G98.7Very high98.8Very high61 Ų6161.6 Ų61.663%0.62935%0.347SS*.THydrogen-bonded Turntrans86.721.5177.800000114.7A253 A254 M255A253-G257 PolarHBondContact O-N 3.42Å; A254-G257 WeakPolarHBondContact O-CA 3.45Å; A254-G257 PolarHBondContact O-N 3.28Å; M255-G257 VanDerWaalsContact C-N 3.28Å
258Y98.8Very high98.8Very high19 Ų1961.8 Ų61.88%0.07534%0.338CS..  trans-87.4140.3171.7-58.6-70.1000110.8Y222 V230 R234 V240 V242 A253 E256 V260Y222-Y258 HydrophobicContact CE2-CD2 4.05Å; Y222-Y258 HydrophobicContact CE2-CE2 4.23Å; Y222-Y258 WeakPolarHBondContact OH-CE2 3.4Å; V230-Y258 HydrophobicContact CB-CE1 4.17Å; V230-Y258 HydrophobicContact CB-CE2 4.41Å; V230-Y258 HydrophobicContact CG2-CE2 4.1Å; V230-Y258 PolarHBondContact O-OH 2.83Å; R234-Y258 HydrophobicContact CB-CE1 4.26Å; R234-Y258 WeakPolarHBondContact CD-OH 3.14Å; V240-Y258 HydrophobicContact CB-CD1 3.8Å; V240-Y258 HydrophobicContact CB-CE1 3.87Å; V240-Y258 HydrophobicContact CG1-CD1 4.17Å; V240-Y258 HydrophobicContact CG1-CE1 4.28Å; V240-Y258 HydrophobicContact CG2-CE1 4.37Å; V242-Y258 HydrophobicContact CG2-CG 4.34Å; A253-Y258 HydrophobicContact CB-CD2 4.49Å; A253-Y258 WeakPolarHBondContact O-CB 3.32Å; A253-Y258 WeakPolarHBondContact O-CD2 3.3Å; A253-Y258 PolarHBondContact O-N 3Å; E256-Y258 HydrophobicContact CB-CD2 3.66Å; E256-Y258 HydrophobicContact CB-CE2 3.53Å; E256-Y258 HydrophobicContact CG-CE2 4.45Å; Y258-V260 PolarHBondContact O-N 3.15Å
259E98.9Very high98.8Very high85 Ų8559.1 Ų59.140%0.39732%0.323SS..EExtended strand (participates in β ladder)trans-67.4131.4166.6179.9177.1-179.100109.1R239 I241 V242R239-E259 IonicContact NH1-OE2 3.97Å; R239-E259 PolarHBondContact NH1-OE2 2.93Å; I241-E259 HydrophobicContact CG1-CB 4.44Å; I241-E259 HydrophobicContact CG2-CG 4.46Å; V242-E259 PolarHBondContact N-O 3.02Å
260V98.9Very high98.8Very high54 Ų5457.6 Ų57.633%0.32732%0.315SS..EExtended strand (participates in β ladder)trans-116.9118.1175.9-1730000108.8V242 A250 A253 A254 Y258V242-V260 HydrophobicContact CB-CG2 4.36Å; V242-V260 WeakPolarHBondContact O-CA 3.32Å; A250-V260 HydrophobicContact CB-CG1 4.09Å; A253-V260 HydrophobicContact CB-CG2 3.76Å; A254-V260 HydrophobicContact CB-CG2 4.33Å; Y258-V260 PolarHBondContact O-N 3.15Å
261T98.9Very high98.8Very high42 Ų4258.4 Ų58.426%0.25832%0.316SS..  trans-149.6-177.2-179.2-1670000110.8I241 V242 T243 E265 A266I241-T261 HydrophobicContact CG2-CG2 3.66Å; V242-T261 PolarHBondContact O-N 3.05Å; T243-T261 WeakPolarHBondContact CA-O 3.48Å; T243-T261 WeakPolarHBondContact CB-O 3.41Å; T243-T261 WeakPolarHBondContact CG2-O 3.14Å; T261-E265 HydrophobicContact CG2-CB 4.34Å; T261-A266 HydrophobicContact CG2-CB 4.12Å
262T98.9Very high98.8Very high74 Ų7453.3 Ų53.345%0.45429%0.289SS..  trans-82.9158.2179.765.60000111.7D264 E265 A266T262-D264 PolarHBondContact O-N 3.49Å; T262-E265 PolarHBondContact O-N 2.97Å; T262-E265 PolarHBondContact OG1-N 3.16Å; T262-A266 WeakPolarHBondContact O-CB 3.31Å; T262-A266 PolarHBondContact O-N 3.38Å
263M98.9Very high98.8Very high17 Ų1749.3 Ų49.38%0.08427%0.271CS..Hα-helixtrans-63.6-32172.5-173.358.270.300111.9V218 A220 T243 E265 A266 C267 F273 I282 I283 H287V218-M263 HydrophobicContact CG1-CE 3.89Å; V218-M263 HydrophobicContact CG1-SD 4.2Å; A220-M263 HydrophobicContact CB-CE 3.88Å; T243-M263 HydrophobicContact CG2-CB 4.35Å; T243-M263 HydrophobicContact CG2-CE 4.12Å; M263-E265 PolarHBondContact O-N 3.08Å; M263-A266 PolarHBondContact O-N 2.85Å; M263-C267 WeakPolarHBondContact O-CB 3.37Å; M263-C267 PolarHBondContact O-N 3.49Å; M263-C267 PolarHBondContact O-SG 3.08Å; M263-C267 VanDerWaalsContact O-SG 3.33Å; M263-F273 HydrophobicContact SD-CD1 4.04Å; M263-F273 HydrophobicContact SD-CE1 4.1Å; M263-I282 HydrophobicContact CE-CG2 4.33Å; M263-I283 HydrophobicContact CE-CG1 4.31Å; M263-H287 WeakPolarHBondContact CG-ND1 3.37Å
264D98.9Very high98.8Very high70 Ų7049.4 Ų49.437%0.37427%0.271SS..Hα-helixtrans-59.5-33.3175.6-67.2-34.1000112.2T262 C267 K268 R286 H287T262-D264 PolarHBondContact O-N 3.49Å; D264-C267 PolarHBondContact O-SG 2.57Å; D264-K268 VanDerWaalsContact O-CE 3.25Å; D264-K268 WeakPolarHBondContact O-CE 3.12Å; D264-R286 IonicContact OD1-CZ 3.31Å; D264-R286 IonicContact OD1-NE 2.97Å; D264-R286 PolarHBondContact OD1-NE 3.38Å; D264-R286 IonicContact OD1-NH2 2.9Å; D264-R286 PolarHBondContact OD1-NH2 3.45Å; D264-H287 IonicContact OD1-CD2 2.74Å; D264-H287 IonicContact OD1-NE2 3.56Å; D264-H287 PolarHBondContact OD1-NE2 3.24Å
265E98.9Very high98.8Very high90 Ų9047 Ų4742%0.42125%0.251SS..Hα-helixtrans-85.8-48.6173.2-66.8-52.2130.500111.9T261 T262 M263 C267 K268T261-E265 HydrophobicContact CG2-CB 4.34Å; T262-E265 PolarHBondContact O-N 2.97Å; T262-E265 PolarHBondContact OG1-N 3.16Å; M263-E265 PolarHBondContact O-N 3.08Å; E265-C267 VanDerWaalsContact C-N 3.25Å; E265-C267 PolarHBondContact O-N 2.84Å; E265-K268 WeakPolarHBondContact O-CB 3.47Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-K268 IonicContact OE1-NZ 3.02Å; E265-K268 PolarHBondContact OE1-NZ 3.43Å; E265-K268 IonicContact OE2-NZ 3.38Å; E265-K268 PolarHBondContact OE2-NZ 3.42Å
266A98.9Very high98.8Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-63.4-27.9-174.800000113.6V218 I241 T261 T262 M263 K268 E269 G270V218-A266 HydrophobicContact CB-CB 4.47Å; V218-A266 HydrophobicContact CG1-CB 3.69Å; V218-A266 HydrophobicContact CG2-CB 3.9Å; I241-A266 HydrophobicContact CG2-CB 4.03Å; T261-A266 HydrophobicContact CG2-CB 4.12Å; T262-A266 WeakPolarHBondContact O-CB 3.31Å; T262-A266 PolarHBondContact O-N 3.38Å; M263-A266 PolarHBondContact O-N 2.85Å; A266-K268 PolarHBondContact O-N 2.61Å; A266-K268 VanDerWaalsContact O-N 3.17Å; A266-E269 PolarHBondContact O-N 2.79Å; A266-G270 PolarHBondContact O-N 3.17Å
267C98.7Very high98.8Very high2 Ų237.4 Ų37.41%0.01421%0.209CC..THydrogen-bonded Turntrans-60.3-25.2178.968.70000113.6M263 D264 E265 E269 F273 H287 M291M263-C267 WeakPolarHBondContact O-CB 3.37Å; M263-C267 PolarHBondContact O-N 3.49Å; M263-C267 PolarHBondContact O-SG 3.08Å; M263-C267 VanDerWaalsContact O-SG 3.33Å; D264-C267 PolarHBondContact O-SG 2.57Å; E265-C267 VanDerWaalsContact C-N 3.25Å; E265-C267 PolarHBondContact O-N 2.84Å; C267-E269 VanDerWaalsContact C-N 3.3Å; C267-F273 HydrophobicContact CB-CE1 4.46Å; C267-H287 HydrophobicContact CB-CB 3.82Å; C267-M291 WeakPolarHBondContact O-CA 3.36Å
268K98.8Very high98.6Very high105 Ų10536.7 Ų36.746%0.45720%0.202SC..THydrogen-bonded Turntrans-75.9-20.5178.5-55.4167.7-165.2160.90112.3D264 E265 A266D264-K268 VanDerWaalsContact O-CE 3.25Å; D264-K268 WeakPolarHBondContact O-CE 3.12Å; E265-K268 WeakPolarHBondContact O-CB 3.47Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-K268 IonicContact OE1-NZ 3.02Å; E265-K268 PolarHBondContact OE1-NZ 3.43Å; E265-K268 IonicContact OE2-NZ 3.38Å; E265-K268 PolarHBondContact OE2-NZ 3.42Å; A266-K268 PolarHBondContact O-N 2.61Å; A266-K268 VanDerWaalsContact O-N 3.17Å
269E98.8Very high98.5Very high60 Ų6038.9 Ų38.928%0.2822%0.219SC..THydrogen-bonded Turntrans-110.7-33.8-171.4-68.8-171.1-120.900114.2V216 R239 I241 A266 C267 K292V216-E269 WeakPolarHBondContact CB-O 3.49Å; V216-E269 HydrophobicContact CG1-CB 4.26Å; R239-E269 IonicContact CZ-OE2 3.38Å; R239-E269 IonicContact NH1-OE2 2.91Å; R239-E269 PolarHBondContact NH1-OE2 3.36Å; R239-E269 IonicContact NH2-OE2 2.75Å; R239-E269 PolarHBondContact NH2-OE2 3.23Å; I241-E269 HydrophobicContact CD1-CB 4.28Å; A266-E269 PolarHBondContact O-N 2.79Å; C267-E269 VanDerWaalsContact C-N 3.3Å; E269-K292 WeakPolarHBondContact O-CE 3.45Å; E269-K292 PolarHBondContact O-NZ 3.42Å
270G98.9Very high98.4Very high0 Ų041.1 Ų41.10%023%0.23CC..  trans-62139-171.900000113.6A266 F273A266-G270 PolarHBondContact O-N 3.17Å; G270-F273 VanDerWaalsContact CA-CZ 3.41Å; G270-F273 WeakPolarHBondContact O-CE2 3.39Å
271N98.9Very high98.3Very high38 Ų3843.1 Ų43.120%0.20324%0.238CC..SBendtrans-99.8-27.6164.5-62.1110.5000111.5K215 V216 K292 A295 I296K215-N271 HydrophobicContact CB-CB 4.06Å; K215-N271 HydrophobicContact CD-CB 3.87Å; K215-N271 HydrophobicContact CG-CB 4.35Å; V216-N271 PolarHBondContact N-OD1 3.48Å; V216-N271 WeakPolarHBondContact O-CB 3.27Å; V216-N271 PolarHBondContact O-N 2.93Å; N271-K292 WeakPolarHBondContact ND2-CD 3.3Å; N271-A295 WeakPolarHBondContact O-CA 3.29Å; N271-I296 PolarHBondContact O-N 2.79Å
272I98.9Very high98.3Very high1 Ų142.6 Ų42.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-131.1132.3178.9-57.1175.1000107I204 V210 I212 K215 V216 A217 V218 V274 I296I204-I272 HydrophobicContact CD1-CG2 4.1Å; V210-I272 HydrophobicContact CG1-CD1 4.46Å; I212-I272 HydrophobicContact CD1-CD1 3.53Å; K215-I272 HydrophobicContact CB-CD1 4.41Å; K215-I272 HydrophobicContact CG-CD1 4.5Å; V216-I272 PolarHBondContact O-N 3.46Å; A217-I272 CarbonylContact C-O 3.58Å; A217-I272 VanDerWaalsContact CA-O 3.32Å; A217-I272 WeakPolarHBondContact CA-O 3.43Å; A217-I272 HydrophobicContact CB-CB 4.16Å; V218-I272 PolarHBondContact N-O 2.71Å; I272-V274 HydrophobicContact CG2-CG2 4.14Å; I272-I296 CarbonylContact C-O 3.58Å; I272-I296 VanDerWaalsContact CA-O 3.31Å; I272-I296 WeakPolarHBondContact CA-O 3.21Å; I272-I296 HydrophobicContact CG1-CB 4.49Å
273F98.9Very high98.3Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-123.3126.2178-64.6-94.2000109.3V218 M263 C267 G270 I283 M291 A295 I296 V297 C298V218-F273 HydrophobicContact CB-CD1 3.65Å; V218-F273 HydrophobicContact CB-CE1 3.85Å; V218-F273 HydrophobicContact CB-CG 4.47Å; V218-F273 HydrophobicContact CG1-CD1 4.14Å; V218-F273 HydrophobicContact CG1-CE1 4.32Å; V218-F273 HydrophobicContact CG2-CD1 3.99Å; V218-F273 HydrophobicContact CG2-CE1 3.66Å; V218-F273 HydrophobicContact CG2-CZ 4.32Å; V218-F273 WeakPolarHBondContact O-CA 3.33Å; M263-F273 HydrophobicContact SD-CD1 4.04Å; M263-F273 HydrophobicContact SD-CE1 4.1Å; C267-F273 HydrophobicContact CB-CE1 4.46Å; G270-F273 VanDerWaalsContact CA-CZ 3.41Å; G270-F273 WeakPolarHBondContact O-CE2 3.39Å; F273-I283 HydrophobicContact CB-CD1 3.81Å; F273-I283 HydrophobicContact CG-CD1 4.47Å; F273-M291 HydrophobicContact CD1-CE 4.05Å; F273-M291 HydrophobicContact CD2-CE 3.75Å; F273-M291 HydrophobicContact CD2-SD 4.05Å; F273-M291 HydrophobicContact CE1-CE 4.12Å; F273-M291 HydrophobicContact CE2-CE 3.82Å; F273-M291 HydrophobicContact CE2-CG 3.78Å; F273-M291 HydrophobicContact CE2-SD 3.87Å; F273-M291 HydrophobicContact CG-CE 3.87Å; F273-M291 HydrophobicContact CZ-CE 4Å; F273-M291 HydrophobicContact CZ-CG 3.93Å; F273-M291 HydrophobicContact CZ-SD 4.42Å; F273-A295 HydrophobicContact CD2-CB 4.33Å; F273-A295 HydrophobicContact CE2-CB 4Å; F273-I296 PolarHBondContact N-O 2.77Å; F273-V297 HydrophobicContact CB-CG1 4.33Å; F273-V297 HydrophobicContact CB-CG2 4.22Å; F273-V297 HydrophobicContact CD2-CG2 4.11Å; F273-V297 HydrophobicContact CG-CG2 4.47Å; F273-C298 PolarHBondContact O-N 2.97Å
274V98.9Very high98.3Very high2 Ų239.5 Ų39.51%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-125.3118.8-179.9-170.90000109L200 I204 V218 V219 A220 L233 I272 T276 C298 I300L200-V274 HydrophobicContact CD1-CG1 3.68Å; L200-V274 HydrophobicContact CD1-CG2 4.14Å; L200-V274 HydrophobicContact CD2-CG1 4.19Å; L200-V274 HydrophobicContact CD2-CG2 4.18Å; I204-V274 HydrophobicContact CD1-CG2 4.46Å; V218-V274 PolarHBondContact O-N 2.86Å; V219-V274 CarbonylContact C-O 3.23Å; V219-V274 WeakPolarHBondContact CA-O 3.34Å; V219-V274 HydrophobicContact CG2-CB 4.4Å; A220-V274 PolarHBondContact N-O 3.18Å; L233-V274 HydrophobicContact CD1-CG2 4.31Å; I272-V274 HydrophobicContact CG2-CG2 4.14Å; V274-T276 HydrophobicContact CG1-CG2 3.98Å; V274-C298 WeakPolarHBondContact CA-O 3.47Å; V274-I300 HydrophobicContact CG1-CG2 3.72Å
275T98.9Very high98.3Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-94.9131.1175.562.50000110.5I282 I283 C298 N299 I300 G301 E306 I307T275-I282 HydrophobicContact CG2-CB 4.28Å; T275-I282 HydrophobicContact CG2-CG2 3.99Å; T275-I283 HydrophobicContact CG2-CD1 3.53Å; T275-I283 HydrophobicContact CG2-CG1 3.79Å; T275-C298 PolarHBondContact N-O 2.89Å; T275-C298 VanDerWaalsContact N-O 3.09Å; T275-N299 PolarHBondContact O-OD1 3.47Å; T275-N299 VanDerWaalsContact OG1-CA 3.28Å; T275-N299 WeakPolarHBondContact OG1-CA 3.44Å; T275-N299 VanDerWaalsContact OG1-CB 3.31Å; T275-N299 WeakPolarHBondContact OG1-CB 3.41Å; T275-N299 PolarHBondContact OG1-OD1 3.1Å; T275-I300 PolarHBondContact O-N 2.82Å; T275-G301 PolarHBondContact O-N 2.82Å; T275-E306 WeakPolarHBondContact CB-OE2 3.32Å; T275-E306 HydrophobicContact CG2-CB 4.21Å; T275-E306 WeakPolarHBondContact OG1-CB 3.26Å; T275-I307 HydrophobicContact CG2-CG1 4.09Å
276T98.6Very high98.3Very high15 Ų1539 Ų399%0.09221%0.209CC..  trans-137.319.3-172.673.90000112.9V219 A220 G221 V225 V274 I300 E306V219-T276 HydrophobicContact CG1-CG2 3.81Å; A220-T276 WeakPolarHBondContact O-CA 3.18Å; A220-T276 WeakPolarHBondContact O-CB 2.89Å; A220-T276 PolarHBondContact O-N 2.83Å; A220-T276 PolarHBondContact O-OG1 3.12Å; G221-T276 PolarHBondContact O-OG1 2.98Å; G221-T276 VanDerWaalsContact O-OG1 3.06Å; V225-T276 HydrophobicContact CG1-CG2 3.89Å; V274-T276 HydrophobicContact CG1-CG2 3.98Å; T276-I300 HydrophobicContact CG2-CG2 3.62Å; T276-E306 PolarHBondContact N-OE2 3.33Å
277T98.1Very high98.3Very high51 Ų5139.2 Ų39.231%0.31321%0.21SC..SBendtrans-92.1-26.3-161.769.10000113.8A220 C279 I282 E306A220-T277 HydrophobicContact CB-CG2 4Å; A220-T277 VanDerWaalsContact O-CG2 3.28Å; A220-T277 WeakPolarHBondContact O-CG2 3.33Å; T277-C279 PolarHBondContact O-N 3.28Å; T277-C279 WeakPolarHBondContact OG1-CB 3.39Å; T277-C279 PolarHBondContact OG1-N 3.48Å; T277-C279 PolarHBondContact OG1-O 3.28Å; T277-I282 HydrophobicContact CG2-CD1 4.01Å; T277-I282 HydrophobicContact CG2-CG1 4.1Å; T277-I282 HydrophobicContact CG2-CG2 4.5Å; T277-I282 WeakPolarHBondContact OG1-CG1 3.19Å; T277-E306 WeakPolarHBondContact CB-OE2 3.5Å; T277-E306 PolarHBondContact N-OE1 3.43Å; T277-E306 VanDerWaalsContact N-OE1 3.16Å; T277-E306 PolarHBondContact N-OE2 2.92Å; T277-E306 VanDerWaalsContact OG1-CD 3.25Å; T277-E306 PolarHBondContact OG1-OE2 2.88Å
278G95Very high98.3Very high46 Ų4639.1 Ų39.147%0.47421%0.209SC..SBendtrans64.320-165.400000113.5E306G278-E306 WeakPolarHBondContact CA-OE1 3.43Å; G278-E306 PolarHBondContact N-OE1 2.86Å
279C96Very high98.3Very high64 Ų6439.1 Ų39.143%0.43221%0.211SC..  trans-122.6149.2-176.5-172.30000110.8T277 I282 E306T277-C279 PolarHBondContact O-N 3.28Å; T277-C279 WeakPolarHBondContact OG1-CB 3.39Å; T277-C279 PolarHBondContact OG1-N 3.48Å; T277-C279 PolarHBondContact OG1-O 3.28Å; C279-I282 HydrophobicContact CB-CD1 4.16Å; C279-I282 WeakPolarHBondContact O-CG1 3.26Å; C279-E306 WeakPolarHBondContact O-CA 3.46Å; C279-E306 VanDerWaalsContact O-CG 3.31Å; C279-E306 WeakPolarHBondContact O-CG 3.2Å
280E96.4Very high98.3Very high133 Ų13338.6 Ų38.662%0.62121%0.214SC*.SBendtrans-75.1162.2178.564.4-168.9-179.400112.4I282 C305E280-I282 PolarHBondContact O-N 3.48Å; E280-C305 WeakPolarHBondContact CA-O 3.49Å; E280-C305 HydrophobicContact CB-CB 4.34Å
281D97.9Very high98.2Very high96 Ų9638.7 Ų38.751%0.51321%0.214SC..  trans62.735.6166.9-65.7-25.9000116L284 C305D281-L284 HydrophobicContact CB-CD1 4.33Å; D281-L284 HydrophobicContact CB-CD2 3.88Å; D281-L284 HydrophobicContact CB-CG 4.48Å; D281-L284 WeakPolarHBondContact O-CD1 3.3Å; D281-C305 PolarHBondContact N-O 3.49Å
282I98.8Very high98.2Very high31 Ų3140.7 Ų40.716%0.15922%0.221CC..SBendtrans-80.6-48.3179.8-52.6-57.1000111.7A220 M263 T275 T277 C279 E280 H287 E306A220-I282 HydrophobicContact CB-CG2 3.46Å; A220-I282 VanDerWaalsContact CB-CG2 3.46Å; M263-I282 HydrophobicContact CE-CG2 4.33Å; T275-I282 HydrophobicContact CG2-CB 4.28Å; T275-I282 HydrophobicContact CG2-CG2 3.99Å; T277-I282 HydrophobicContact CG2-CD1 4.01Å; T277-I282 HydrophobicContact CG2-CG1 4.1Å; T277-I282 HydrophobicContact CG2-CG2 4.5Å; T277-I282 WeakPolarHBondContact OG1-CG1 3.19Å; C279-I282 HydrophobicContact CB-CD1 4.16Å; C279-I282 WeakPolarHBondContact O-CG1 3.26Å; E280-I282 PolarHBondContact O-N 3.48Å; I282-H287 PolarHBondContact O-CE1 2.99Å; I282-H287 PolarHBondContact O-ND1 3.13Å; I282-H287 VanDerWaalsContact O-ND1 3.17Å; I282-E306 WeakPolarHBondContact CA-O 3.28Å; I282-E306 HydrophobicContact CB-CB 4.4Å; I282-E306 VanDerWaalsContact CB-O 3.29Å; I282-E306 WeakPolarHBondContact CB-O 3.35Å; I282-E306 HydrophobicContact CG1-CB 4.11Å; I282-E306 PolarHBondContact N-O 3.38Å
283I98.9Very high98.2Very high0 Ų044.7 Ų44.70%024%0.243CC..BIsolated β-bridgetrans-111.7114176.3-59.6-178.2000109.4M263 F273 T275 H287 F288 M291 V297 E306 I307 D308M263-I283 HydrophobicContact CE-CG1 4.31Å; F273-I283 HydrophobicContact CB-CD1 3.81Å; F273-I283 HydrophobicContact CG-CD1 4.47Å; T275-I283 HydrophobicContact CG2-CD1 3.53Å; T275-I283 HydrophobicContact CG2-CG1 3.79Å; I283-H287 HydrophobicContact CG2-CB 4.35Å; I283-F288 HydrophobicContact CG2-CD1 4.23Å; I283-F288 HydrophobicContact CG2-CD2 4.37Å; I283-F288 HydrophobicContact CG2-CE1 3.8Å; I283-F288 HydrophobicContact CG2-CE2 3.95Å; I283-F288 HydrophobicContact CG2-CZ 3.66Å; I283-M291 HydrophobicContact CG2-CE 3.75Å; I283-V297 HydrophobicContact CD1-CG1 3.64Å; I283-V297 HydrophobicContact CG2-CG1 4.49Å; I283-E306 PolarHBondContact N-O 3.21Å; I283-I307 HydrophobicContact CB-CG1 4.37Å; I283-I307 HydrophobicContact CB-CG2 4.44Å; I283-I307 HydrophobicContact CD1-CG1 4.39Å; I283-D308 PolarHBondContact O-N 3.38Å
284L98.8Very high98.2Very high26 Ų2647.4 Ų47.414%0.13626%0.257CS..  trans-121.6171-169.5-63.8174.6000111.3D281 R286 H287 F288 D308D281-L284 HydrophobicContact CB-CD1 4.33Å; D281-L284 HydrophobicContact CB-CD2 3.88Å; D281-L284 HydrophobicContact CB-CG 4.48Å; D281-L284 WeakPolarHBondContact O-CD1 3.3Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 2.85Å; L284-H287 PolarHBondContact N-ND1 3.25Å; L284-H287 VanDerWaalsContact N-ND1 3.11Å; L284-H287 WeakPolarHBondContact O-CA 3.22Å; L284-H287 WeakPolarHBondContact O-CB 3.48Å; L284-H287 PolarHBondContact O-N 3.1Å; L284-F288 WeakPolarHBondContact O-CD2 3.35Å; L284-F288 PolarHBondContact O-N 3.03Å; L284-F288 VanDerWaalsContact O-N 3.12Å; L284-D308 HydrophobicContact CD2-CB 4.03Å
285A98.3Very high98.2Very high24 Ų2447.3 Ų47.320%0.19826%0.256CS..Hα-helixtrans-37.8-56.6174.600000114.4H287 F288 E289 W311A285-H287 PolarHBondContact O-N 3.32Å; A285-F288 PolarHBondContact O-N 3.01Å; A285-E289 WeakPolarHBondContact O-CG 3.47Å; A285-E289 PolarHBondContact O-N 3.03Å; A285-W311 HydrophobicContact CB-CD2 3.63Å; A285-W311 HydrophobicContact CB-CE3 4.35Å; A285-W311 HydrophobicContact CB-CG 3.84Å; A285-W311 HydrophobicContact CB-CH2 4.43Å; A285-W311 HydrophobicContact CB-CZ2 3.72Å
286R98.4Very high98.2Very high126 Ų12647.5 Ų47.548%0.47526%0.258SS..Hα-helixtrans-62.5-26.7-177.568.4179.9-175.9-82.8-6.4113.6D264 L284 S290D264-R286 IonicContact OD1-CZ 3.31Å; D264-R286 IonicContact OD1-NE 2.97Å; D264-R286 PolarHBondContact OD1-NE 3.38Å; D264-R286 IonicContact OD1-NH2 2.9Å; D264-R286 PolarHBondContact OD1-NH2 3.45Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 2.85Å; R286-S290 PolarHBondContact O-OG 3.45Å
287H98.9Very high98.2Very high3 Ų346.8 Ų46.81%0.01425%0.253CS..Hα-helixtrans-76.2-50.9176.1-52.1149.9000109.7M263 D264 C267 I282 I283 L284 A285 E289 S290 M291M263-H287 WeakPolarHBondContact CG-ND1 3.37Å; D264-H287 IonicContact OD1-CD2 2.74Å; D264-H287 IonicContact OD1-NE2 3.56Å; D264-H287 PolarHBondContact OD1-NE2 3.24Å; C267-H287 HydrophobicContact CB-CB 3.82Å; I282-H287 PolarHBondContact O-CE1 2.99Å; I282-H287 PolarHBondContact O-ND1 3.13Å; I282-H287 VanDerWaalsContact O-ND1 3.17Å; I283-H287 HydrophobicContact CG2-CB 4.35Å; L284-H287 PolarHBondContact N-ND1 3.25Å; L284-H287 VanDerWaalsContact N-ND1 3.11Å; L284-H287 WeakPolarHBondContact O-CA 3.22Å; L284-H287 WeakPolarHBondContact O-CB 3.48Å; L284-H287 PolarHBondContact O-N 3.1Å; A285-H287 PolarHBondContact O-N 3.32Å; H287-E289 VanDerWaalsContact C-N 3.28Å; H287-E289 PolarHBondContact O-N 2.97Å; H287-S290 CarbonylContact O-C 3.58Å; H287-S290 WeakPolarHBondContact O-CA 3.19Å; H287-S290 PolarHBondContact O-N 3.31Å; H287-M291 WeakPolarHBondContact O-CG 3.4Å; H287-M291 PolarHBondContact O-N 3.15Å; H287-M291 VanDerWaalsContact O-N 3.11Å
288F98.8Very high98.3Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-55.3-43.4177.7-72.7-59.3000112.5I283 L284 A285 S290 M291 V297 I307 W311 L312 L331 V337I283-F288 HydrophobicContact CG2-CD1 4.23Å; I283-F288 HydrophobicContact CG2-CD2 4.37Å; I283-F288 HydrophobicContact CG2-CE1 3.8Å; I283-F288 HydrophobicContact CG2-CE2 3.95Å; I283-F288 HydrophobicContact CG2-CZ 3.66Å; L284-F288 WeakPolarHBondContact O-CD2 3.35Å; L284-F288 PolarHBondContact O-N 3.03Å; L284-F288 VanDerWaalsContact O-N 3.12Å; A285-F288 PolarHBondContact O-N 3.01Å; F288-S290 PolarHBondContact O-N 3.15Å; F288-S290 VanDerWaalsContact O-N 3.15Å; F288-M291 HydrophobicContact CD1-CE 4.04Å; F288-M291 HydrophobicContact CD1-SD 3.77Å; F288-M291 HydrophobicContact CE1-CE 4.36Å; F288-M291 HydrophobicContact CE1-SD 4.38Å; F288-M291 PolarHBondContact O-N 3.34Å; F288-V297 HydrophobicContact CE1-CG1 4.33Å; F288-V297 HydrophobicContact CE1-CG2 4.17Å; F288-I307 HydrophobicContact CE2-CG2 4.36Å; F288-I307 HydrophobicContact CZ-CG2 3.64Å; F288-W311 HydrophobicContact CB-CH2 4.12Å; F288-W311 HydrophobicContact CB-CZ3 3.64Å; F288-W311 AromaticContact CD2-CE3 3.67Å; F288-W311 HydrophobicContact CD2-CE3 3.67Å; F288-W311 AromaticContact CD2-CZ3 3.63Å; F288-W311 HydrophobicContact CD2-CZ3 3.63Å; F288-W311 HydrophobicContact CE2-CE3 4.3Å; F288-W311 HydrophobicContact CG-CE3 4.45Å; F288-W311 AromaticContact CG-CZ3 3.95Å; F288-W311 HydrophobicContact CG-CZ3 3.95Å; F288-L312 HydrophobicContact CE1-CD2 4.48Å; F288-L312 HydrophobicContact CE2-CB 4.48Å; F288-L312 HydrophobicContact CZ-CD2 4.33Å; F288-L331 HydrophobicContact CB-CD1 4.35Å; F288-L331 WeakPolarHBondContact O-CD1 3.38Å; F288-V337 HydrophobicContact CD1-CG1 4.09Å; F288-V337 HydrophobicContact CD1-CG2 4.21Å; F288-V337 HydrophobicContact CE1-CG1 4.05Å
289E98.4Very high98.5Very high105 Ų10542.2 Ų42.249%0.49122%0.216SC..THydrogen-bonded Turntrans-63.1-20.3178.4-70.8177160.600113A285 H287 W311 N333 R335A285-E289 WeakPolarHBondContact O-CG 3.47Å; A285-E289 PolarHBondContact O-N 3.03Å; H287-E289 VanDerWaalsContact C-N 3.28Å; H287-E289 PolarHBondContact O-N 2.97Å; E289-W311 HydrophobicContact CG-CH2 3.93Å; E289-W311 HydrophobicContact CG-CZ2 4.13Å; E289-N333 PolarHBondContact O-ND2 3.23Å; E289-R335 PolarHBondContact O-NH2 3.27Å
290S98.6Very high98.6Very high50 Ų5039.5 Ų39.535%0.3520%0.197SC..THydrogen-bonded Turntrans-101-10.7-178.9-58.30000113.8R286 H287 F288R286-S290 PolarHBondContact O-OG 3.45Å; H287-S290 CarbonylContact O-C 3.58Å; H287-S290 WeakPolarHBondContact O-CA 3.19Å; H287-S290 PolarHBondContact O-N 3.31Å; F288-S290 PolarHBondContact O-N 3.15Å; F288-S290 VanDerWaalsContact O-N 3.15Å
291M98.8Very high98.5Very high2 Ų233.5 Ų33.51%0.0117%0.171CC..SBendtrans-64.9151.8-178.4-75.1179.1-177.700112.9C267 F273 I283 H287 F288 A295 V297 R335 V337C267-M291 WeakPolarHBondContact O-CA 3.36Å; F273-M291 HydrophobicContact CD1-CE 4.05Å; F273-M291 HydrophobicContact CD2-CE 3.75Å; F273-M291 HydrophobicContact CD2-SD 4.05Å; F273-M291 HydrophobicContact CE1-CE 4.12Å; F273-M291 HydrophobicContact CE2-CE 3.82Å; F273-M291 HydrophobicContact CE2-CG 3.78Å; F273-M291 HydrophobicContact CE2-SD 3.87Å; F273-M291 HydrophobicContact CG-CE 3.87Å; F273-M291 HydrophobicContact CZ-CE 4Å; F273-M291 HydrophobicContact CZ-CG 3.93Å; F273-M291 HydrophobicContact CZ-SD 4.42Å; I283-M291 HydrophobicContact CG2-CE 3.75Å; H287-M291 WeakPolarHBondContact O-CG 3.4Å; H287-M291 PolarHBondContact O-N 3.15Å; H287-M291 VanDerWaalsContact O-N 3.11Å; F288-M291 HydrophobicContact CD1-CE 4.04Å; F288-M291 HydrophobicContact CD1-SD 3.77Å; F288-M291 HydrophobicContact CE1-CE 4.36Å; F288-M291 HydrophobicContact CE1-SD 4.38Å; F288-M291 PolarHBondContact O-N 3.34Å; M291-A295 HydrophobicContact CB-CB 3.89Å; M291-A295 HydrophobicContact CG-CB 4.27Å; M291-A295 HydrophobicContact SD-CB 4.05Å; M291-V297 HydrophobicContact CE-CG2 3.81Å; M291-V297 HydrophobicContact SD-CG2 3.67Å; M291-R335 WeakPolarHBondContact O-CD 3.23Å; M291-R335 PolarHBondContact O-NE 3.24Å; M291-V337 HydrophobicContact SD-CG1 4.41Å; M291-V337 HydrophobicContact SD-CG2 4.3Å
292K98.8Very high97.9Very high79 Ų7929.8 Ų29.834%0.34315%0.15SC..PPolyproline II helixtrans-61.4155.3168.4-70.9176.8175.7168.30110.8E269 N271 D294 A295E269-K292 WeakPolarHBondContact O-CE 3.45Å; E269-K292 PolarHBondContact O-NZ 3.42Å; N271-K292 WeakPolarHBondContact ND2-CD 3.3Å; K292-D294 PolarHBondContact O-N 3.38Å; K292-A295 WeakPolarHBondContact O-CB 3.19Å; K292-A295 PolarHBondContact O-N 3.35Å
293D98.8Very high97.4Very high86 Ų8631.9 Ų31.946%0.4616%0.159SC..THydrogen-bonded Turntrans-61.3136.1174.4-165.742.3000110.4A295 R335 H336D293-A295 PolarHBondContact O-N 2.9Å; D293-R335 HydrophobicContact CB-CB 4.44Å; D293-R335 HydrophobicContact CB-CG 4.2Å; D293-R335 VanDerWaalsContact OD1-CA 3.28Å; D293-R335 WeakPolarHBondContact OD1-CA 3.34Å; D293-H336 IonicContact OD1-CG 3.56Å; D293-H336 PolarHBondContact OD1-N 2.92Å; D293-H336 IonicContact OD1-ND1 2.78Å; D293-H336 PolarHBondContact OD1-ND1 3.28Å
294D98.8Very high97Very high56 Ų5634.7 Ų34.730%0.29917%0.174SC..THydrogen-bonded Turntrans54.833.7-173.2-77.4-38.4000114.6K292 I296 R328 H336 I338K292-D294 PolarHBondContact O-N 3.38Å; D294-I296 PolarHBondContact O-N 2.96Å; D294-R328 VanDerWaalsContact CG-NH2 3.31Å; D294-R328 IonicContact OD1-CZ 3.61Å; D294-R328 IonicContact OD1-NE 2.97Å; D294-R328 PolarHBondContact OD1-NE 3.08Å; D294-R328 IonicContact OD1-NH2 3.59Å; D294-R328 PolarHBondContact OD1-NH2 3.26Å; D294-R328 VanDerWaalsContact OD1-NH2 3.09Å; D294-R328 IonicContact OD2-CZ 3.19Å; D294-R328 IonicContact OD2-NE 2.9Å; D294-R328 IonicContact OD2-NH2 3.82Å; D294-R328 PolarHBondContact OD2-NH2 3.31Å; D294-H336 WeakPolarHBondContact CA-O 3.3Å; D294-H336 PolarHBondContact N-O 3.04Å; D294-H336 WeakPolarHBondContact OD1-CB 3.43Å; D294-I338 HydrophobicContact CB-CD1 4.13Å
295A98.9Very high96.8Very high0 Ų036.1 Ų36.10%019%0.185CC..EExtended strand (participates in β ladder)trans-58131.6166.900000110.6N271 F273 M291 K292 D293 I338N271-A295 WeakPolarHBondContact O-CA 3.29Å; F273-A295 HydrophobicContact CD2-CB 4.33Å; F273-A295 HydrophobicContact CE2-CB 4Å; M291-A295 HydrophobicContact CB-CB 3.89Å; M291-A295 HydrophobicContact CG-CB 4.27Å; M291-A295 HydrophobicContact SD-CB 4.05Å; K292-A295 WeakPolarHBondContact O-CB 3.19Å; K292-A295 PolarHBondContact O-N 3.35Å; D293-A295 PolarHBondContact O-N 2.9Å; A295-I338 PolarHBondContact O-N 3.42Å
296I98.9Very high96.8Very high5 Ų535 Ų353%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-90.7128.6175.8-64165.7000108.5T208 V210 N271 I272 F273 D294 I338 L340T208-I296 HydrophobicContact CG2-CD1 3.99Å; T208-I296 HydrophobicContact CG2-CG1 4.4Å; V210-I296 HydrophobicContact CB-CD1 3.76Å; V210-I296 HydrophobicContact CG1-CD1 3.63Å; V210-I296 HydrophobicContact CG2-CD1 3.87Å; N271-I296 PolarHBondContact O-N 2.79Å; I272-I296 CarbonylContact C-O 3.58Å; I272-I296 VanDerWaalsContact CA-O 3.31Å; I272-I296 WeakPolarHBondContact CA-O 3.21Å; I272-I296 HydrophobicContact CG1-CB 4.49Å; F273-I296 PolarHBondContact N-O 2.77Å; D294-I296 PolarHBondContact O-N 2.96Å; I296-I338 CarbonylContact C-O 3.48Å; I296-I338 WeakPolarHBondContact CA-O 3.43Å; I296-I338 HydrophobicContact CG1-CB 4.16Å; I296-I338 HydrophobicContact CG1-CD1 4.24Å; I296-I338 HydrophobicContact CG1-CG2 4.45Å; I296-L340 HydrophobicContact CG2-CD1 3.86Å; I296-L340 HydrophobicContact CG2-CG 4.07Å
297V98.9Very high96.9Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-125.8125.6-179-1750000109.1F273 I283 F288 M291 I307 V337 I338 V339 L340F273-V297 HydrophobicContact CB-CG1 4.33Å; F273-V297 HydrophobicContact CB-CG2 4.22Å; F273-V297 HydrophobicContact CD2-CG2 4.11Å; F273-V297 HydrophobicContact CG-CG2 4.47Å; I283-V297 HydrophobicContact CD1-CG1 3.64Å; I283-V297 HydrophobicContact CG2-CG1 4.49Å; F288-V297 HydrophobicContact CE1-CG1 4.33Å; F288-V297 HydrophobicContact CE1-CG2 4.17Å; M291-V297 HydrophobicContact CE-CG2 3.81Å; M291-V297 HydrophobicContact SD-CG2 3.67Å; V297-I307 HydrophobicContact CG1-CD1 3.84Å; V297-I307 HydrophobicContact CG1-CG1 4.3Å; V297-I307 HydrophobicContact CG1-CG2 4.39Å; V297-V337 HydrophobicContact CB-CG1 4.3Å; V297-V337 HydrophobicContact CG2-CG1 3.59Å; V297-I338 PolarHBondContact N-O 3.25Å; V297-V339 HydrophobicContact CB-CG2 4.49Å; V297-V339 WeakPolarHBondContact O-CA 3.44Å; V297-L340 PolarHBondContact O-N 3.38Å; V297-L340 VanDerWaalsContact O-N 3.11Å
298C98.9Very high96.8Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-146.3157.3178.966.40000112.1F273 V274 T275 L340 V346F273-C298 PolarHBondContact O-N 2.97Å; V274-C298 WeakPolarHBondContact CA-O 3.47Å; T275-C298 PolarHBondContact N-O 2.89Å; T275-C298 VanDerWaalsContact N-O 3.09Å; C298-L340 HydrophobicContact CB-CB 3.89Å; C298-L340 HydrophobicContact CB-CD1 3.98Å; C298-L340 HydrophobicContact CB-CG 4.09Å; C298-V346 HydrophobicContact CB-CB 3.88Å; C298-V346 HydrophobicContact CB-CG1 4.16Å; C298-V346 HydrophobicContact CB-CG2 3.82Å
299N98.8Very high96.8Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-114.4140.6176.8176.235000109.9T275 G301 F303 I307 G343 L345 V346T275-N299 PolarHBondContact O-OD1 3.47Å; T275-N299 VanDerWaalsContact OG1-CA 3.28Å; T275-N299 WeakPolarHBondContact OG1-CA 3.44Å; T275-N299 VanDerWaalsContact OG1-CB 3.31Å; T275-N299 WeakPolarHBondContact OG1-CB 3.41Å; T275-N299 PolarHBondContact OG1-OD1 3.1Å; N299-G301 PolarHBondContact ND2-O 2.9Å; N299-G301 WeakPolarHBondContact OD1-CA 3.27Å; N299-G301 PolarHBondContact OD1-N 2.67Å; N299-F303 PolarHBondContact ND2-O 2.86Å; N299-I307 HydrophobicContact CB-CD1 3.8Å; N299-G343 WeakPolarHBondContact CB-O 3.49Å; N299-G343 PolarHBondContact ND2-O 3.23Å; N299-L345 CarbonylContact O-C 3.57Å; N299-L345 WeakPolarHBondContact O-CA 3.49Å; N299-V346 WeakPolarHBondContact O-CB 3.3Å; N299-V346 WeakPolarHBondContact O-CG1 3.48Å; N299-V346 PolarHBondContact O-N 3.19Å
300I98.4Very high96.8Very high7 Ų733.2 Ų33.24%0.03618%0.179CC..  trans-129.99.2169.9-163.2169.4000111.5C196 L200 V225 V274 T275 T276 L345 V346 N347C196-I300 HydrophobicContact CB-CD1 4.31Å; L200-I300 HydrophobicContact CB-CD1 3.9Å; L200-I300 HydrophobicContact CD1-CD1 4.06Å; V225-I300 HydrophobicContact CG1-CG2 3.75Å; V274-I300 HydrophobicContact CG1-CG2 3.72Å; T275-I300 PolarHBondContact O-N 2.82Å; T276-I300 HydrophobicContact CG2-CG2 3.62Å; I300-L345 VanDerWaalsContact O-CD2 3.28Å; I300-L345 WeakPolarHBondContact O-CD2 3.39Å; I300-V346 HydrophobicContact CB-CG1 4.12Å; I300-V346 HydrophobicContact CD1-CG1 4.45Å; I300-V346 HydrophobicContact CG1-CG1 4.44Å; I300-N347 HydrophobicContact CD1-CB 3.84Å; I300-N347 HydrophobicContact CG1-CB 4.35Å
301G94Very high96.7Very high8 Ų833 Ų338%0.08217%0.17CC..SBendtrans-77165.8158.500000112T275 N299 E306 L345T275-G301 PolarHBondContact O-N 2.82Å; N299-G301 PolarHBondContact ND2-O 2.9Å; N299-G301 WeakPolarHBondContact OD1-CA 3.27Å; N299-G301 PolarHBondContact OD1-N 2.67Å; G301-E306 WeakPolarHBondContact CA-OE1 3.36Å; G301-L345 WeakPolarHBondContact O-CD2 3.48Å; G301-L345 VanDerWaalsContact O-CG 3.32Å; G301-L345 WeakPolarHBondContact O-CG 3.29Å
302H86.5Confident96.6Very high17 Ų1732.9 Ų32.98%0.07917%0.17CC..SBendtrans-66.1-47.1-164.1-172.988.1000114.3D132 G133D132-H302 PolarHBondContact O-CE1 2.95Å; D132-H302 IonicContact OD1-CE1 2.68Å; D132-H302 PolarHBondContact OD1-CE1 3.4Å; D132-H302 IonicContact OD1-ND1 3.93Å; D132-H302 PolarHBondContact OD1-ND1 2.97Å; G133-H302 WeakPolarHBondContact CA-CE1 3.39Å; G133-H302 WeakPolarHBondContact CA-NE2 3.25Å
303F87.8Confident96.6Very high75 Ų7532.6 Ų32.633%0.32917%0.172SC..SBendtrans-103.6157.2-178.7-66.1-55.9000112.5T160 N299 C305T160-F303 HydrophobicContact CG2-CD2 3.65Å; T160-F303 HydrophobicContact CG2-CE2 3.35Å; T160-F303 HydrophobicContact CG2-CZ 4.4Å; N299-F303 PolarHBondContact ND2-O 2.86Å; F303-C305 PolarHBondContact O-N 3.45Å
304D90.8Very high96.6Very high60 Ų6037 Ų3732%0.32119%0.187SC..THydrogen-bonded Turntrans-8427.7-17961.8-26.7000114.6G343 R344D304-G343 WeakPolarHBondContact CA-O 3.49Å; D304-G343 WeakPolarHBondContact CB-O 3.24Å; D304-R344 HydrophobicContact CB-CG 3.68Å; D304-R344 IonicContact OD2-CZ 2.97Å; D304-R344 VanDerWaalsContact OD2-CZ 3.23Å; D304-R344 IonicContact OD2-NE 3.02Å; D304-R344 IonicContact OD2-NH1 3.46Å; D304-R344 PolarHBondContact OD2-NH1 2.97Å; D304-R344 IonicContact OD2-NH2 2.72Å
305C95Very high96.5Very high56 Ų5636.3 Ų36.338%0.37818%0.184SC..THydrogen-bonded Turntrans-96.9-8.517862.90000114.3E280 D281 F303 I307E280-C305 WeakPolarHBondContact CA-O 3.49Å; E280-C305 HydrophobicContact CB-CB 4.34Å; D281-C305 PolarHBondContact N-O 3.49Å; F303-C305 PolarHBondContact O-N 3.45Å; C305-I307 PolarHBondContact O-N 2.92Å
306E98.4Very high96.5Very high1 Ų137.4 Ų37.41%0.00519%0.192CC..SBendtrans-69.9-25.3178.8-49.9-150.6-157.600112T275 T276 T277 G278 C279 I282 I283 G301T275-E306 WeakPolarHBondContact CB-OE2 3.32Å; T275-E306 HydrophobicContact CG2-CB 4.21Å; T275-E306 WeakPolarHBondContact OG1-CB 3.26Å; T276-E306 PolarHBondContact N-OE2 3.33Å; T277-E306 WeakPolarHBondContact CB-OE2 3.5Å; T277-E306 PolarHBondContact N-OE1 3.43Å; T277-E306 VanDerWaalsContact N-OE1 3.16Å; T277-E306 PolarHBondContact N-OE2 2.92Å; T277-E306 VanDerWaalsContact OG1-CD 3.25Å; T277-E306 PolarHBondContact OG1-OE2 2.88Å; G278-E306 WeakPolarHBondContact CA-OE1 3.43Å; G278-E306 PolarHBondContact N-OE1 2.86Å; C279-E306 WeakPolarHBondContact O-CA 3.46Å; C279-E306 VanDerWaalsContact O-CG 3.31Å; C279-E306 WeakPolarHBondContact O-CG 3.2Å; I282-E306 WeakPolarHBondContact CA-O 3.28Å; I282-E306 HydrophobicContact CB-CB 4.4Å; I282-E306 VanDerWaalsContact CB-O 3.29Å; I282-E306 WeakPolarHBondContact CB-O 3.35Å; I282-E306 HydrophobicContact CG1-CB 4.11Å; I282-E306 PolarHBondContact N-O 3.38Å; I283-E306 PolarHBondContact N-O 3.21Å; G301-E306 WeakPolarHBondContact CA-OE1 3.36Å
307I98.7Very high96.4Very high3 Ų339.6 Ų39.62%0.01521%0.212CC..BIsolated β-bridgetrans-116.2128-178.8-58.4165.1000108.4T275 I283 F288 V297 N299 C305 M309T275-I307 HydrophobicContact CG2-CG1 4.09Å; I283-I307 HydrophobicContact CB-CG1 4.37Å; I283-I307 HydrophobicContact CB-CG2 4.44Å; I283-I307 HydrophobicContact CD1-CG1 4.39Å; F288-I307 HydrophobicContact CE2-CG2 4.36Å; F288-I307 HydrophobicContact CZ-CG2 3.64Å; V297-I307 HydrophobicContact CG1-CD1 3.84Å; V297-I307 HydrophobicContact CG1-CG1 4.3Å; V297-I307 HydrophobicContact CG1-CG2 4.39Å; N299-I307 HydrophobicContact CB-CD1 3.8Å; C305-I307 PolarHBondContact O-N 2.92Å; I307-M309 HydrophobicContact CG2-CG 4.31Å; I307-M309 HydrophobicContact CG2-SD 3.87Å; I307-M309 PolarHBondContact O-N 2.77Å
308D98.3Very high96.4Very high43 Ų4343.6 Ų43.623%0.2323%0.23CC..  trans-75.275.2177.2-172.5-2.5000111.8I283 L284 N310 W311 L312I283-D308 PolarHBondContact O-N 3.38Å; L284-D308 HydrophobicContact CD2-CB 4.03Å; D308-N310 PolarHBondContact O-N 3.35Å; D308-N310 PolarHBondContact OD1-N 3.4Å; D308-W311 HydrophobicContact CB-CB 4.32Å; D308-W311 PolarHBondContact O-N 2.68Å; D308-W311 WeakPolarHBondContact OD1-CB 3.49Å; D308-W311 PolarHBondContact OD1-N 2.96Å; D308-W311 WeakPolarHBondContact OD2-CB 3.33Å; D308-L312 PolarHBondContact O-N 2.89Å
309M98.1Very high96.4Very high17 Ų1748.6 Ų48.68%0.08425%0.249CC..Hα-helixtrans-64.5-30176.5-70.2-54.2-58.100112.3I307 L312 N313 V339I307-M309 HydrophobicContact CG2-CG 4.31Å; I307-M309 HydrophobicContact CG2-SD 3.87Å; I307-M309 PolarHBondContact O-N 2.77Å; M309-L312 HydrophobicContact CE-CD2 4.32Å; M309-L312 PolarHBondContact O-N 2.98Å; M309-L312 HydrophobicContact SD-CD2 4.46Å; M309-N313 WeakPolarHBondContact O-CB 3.36Å; M309-N313 PolarHBondContact O-N 2.79Å; M309-N313 PolarHBondContact O-ND2 2.89Å; M309-V339 HydrophobicContact CE-CG1 3.88Å; M309-V339 HydrophobicContact SD-CG1 3.71Å
310N97.8Very high96.4Very high133 Ų13351.9 Ų51.971%0.71127%0.266SS*.Hα-helixtrans-63-46.9177.6-75.3-30.3000111D308 L312 K314D308-N310 PolarHBondContact O-N 3.35Å; D308-N310 PolarHBondContact OD1-N 3.4Å; N310-L312 VanDerWaalsContact C-N 3.35Å; N310-K314 VanDerWaalsContact O-CB 3.29Å; N310-K314 WeakPolarHBondContact O-CB 3.29Å; N310-K314 PolarHBondContact O-N 3.12Å; N310-K314 VanDerWaalsContact O-N 3.13Å
311W98.3Very high96.4Very high44 Ų4456 Ų5617%0.16729%0.288CS..Hα-helixtrans-61.3-45.5174.7179.393.6000111.4A285 F288 E289 D308 K314 N315 L331A285-W311 HydrophobicContact CB-CD2 3.63Å; A285-W311 HydrophobicContact CB-CE3 4.35Å; A285-W311 HydrophobicContact CB-CG 3.84Å; A285-W311 HydrophobicContact CB-CH2 4.43Å; A285-W311 HydrophobicContact CB-CZ2 3.72Å; F288-W311 HydrophobicContact CB-CH2 4.12Å; F288-W311 HydrophobicContact CB-CZ3 3.64Å; F288-W311 AromaticContact CD2-CE3 3.67Å; F288-W311 HydrophobicContact CD2-CE3 3.67Å; F288-W311 AromaticContact CD2-CZ3 3.63Å; F288-W311 HydrophobicContact CD2-CZ3 3.63Å; F288-W311 HydrophobicContact CE2-CE3 4.3Å; F288-W311 HydrophobicContact CG-CE3 4.45Å; F288-W311 AromaticContact CG-CZ3 3.95Å; F288-W311 HydrophobicContact CG-CZ3 3.95Å; E289-W311 HydrophobicContact CG-CH2 3.93Å; E289-W311 HydrophobicContact CG-CZ2 4.13Å; D308-W311 HydrophobicContact CB-CB 4.32Å; D308-W311 PolarHBondContact O-N 2.68Å; D308-W311 WeakPolarHBondContact OD1-CB 3.49Å; D308-W311 PolarHBondContact OD1-N 2.96Å; D308-W311 WeakPolarHBondContact OD2-CB 3.33Å; W311-K314 PolarHBondContact O-N 3.03Å; W311-N315 HydrophobicContact CD2-CB 4.16Å; W311-N315 HydrophobicContact CZ2-CB 4.03Å; W311-N315 PolarHBondContact NE1-ND2 3.47Å; W311-N315 VanDerWaalsContact O-CB 3.28Å; W311-N315 WeakPolarHBondContact O-CB 3.41Å; W311-N315 PolarHBondContact O-N 3.17Å; W311-N315 PolarHBondContact O-ND2 3.35Å; W311-L331 HydrophobicContact CH2-CD2 4.49Å; W311-L331 HydrophobicContact CZ3-CD2 4.35Å
312L96.8Very high96.6Very high0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-62.8-48-176.6-170.565.6000111.8F288 D308 M309 N310 K314 N315 A316 Y329 L331 V339F288-L312 HydrophobicContact CE1-CD2 4.48Å; F288-L312 HydrophobicContact CE2-CB 4.48Å; F288-L312 HydrophobicContact CZ-CD2 4.33Å; D308-L312 PolarHBondContact O-N 2.89Å; M309-L312 HydrophobicContact CE-CD2 4.32Å; M309-L312 PolarHBondContact O-N 2.98Å; M309-L312 HydrophobicContact SD-CD2 4.46Å; N310-L312 VanDerWaalsContact C-N 3.35Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.47Å; L312-N315 PolarHBondContact O-N 3.44Å; L312-A316 VanDerWaalsContact O-CB 3.23Å; L312-A316 WeakPolarHBondContact O-CB 3.44Å; L312-A316 PolarHBondContact O-N 2.88Å; L312-Y329 HydrophobicContact CD1-CD1 4.3Å; L312-Y329 HydrophobicContact CD1-CG 4.17Å; L312-Y329 HydrophobicContact CD2-CD1 4.04Å; L312-Y329 HydrophobicContact CD2-CD2 3.59Å; L312-Y329 HydrophobicContact CD2-CE1 4.12Å; L312-Y329 HydrophobicContact CD2-CE2 3.7Å; L312-Y329 HydrophobicContact CD2-CG 3.75Å; L312-Y329 HydrophobicContact CG-CD1 3.7Å; L312-Y329 HydrophobicContact CG-CD2 4.17Å; L312-Y329 HydrophobicContact CG-CE1 3.92Å; L312-Y329 HydrophobicContact CG-CE2 4.39Å; L312-Y329 HydrophobicContact CG-CG 3.81Å; L312-L331 HydrophobicContact CD1-CD2 3.7Å; L312-V339 HydrophobicContact CD2-CG2 3.45Å; L312-V339 VanDerWaalsContact CD2-CG2 3.45Å
313N97.8Very high97.2Very high74 Ų7462.9 Ų62.940%0.39632%0.323SS..Hα-helixtrans-61.4-33.7177.2-75.7-35.7000112.8M309 Y329M309-N313 WeakPolarHBondContact O-CB 3.36Å; M309-N313 PolarHBondContact O-N 2.79Å; M309-N313 PolarHBondContact O-ND2 2.89Å; N313-Y329 WeakPolarHBondContact OD1-CE1 3.42Å; N313-Y329 PolarHBondContact OD1-OH 3.17Å
314K98.1Very high97.7Very high177 Ų17763.9 Ų63.977%0.7734%0.337SS*.Hα-helixtrans-82.2-31.2-179.5-175.6176-179.9179.90113.7N310 W311 L312N310-K314 VanDerWaalsContact O-CB 3.29Å; N310-K314 WeakPolarHBondContact O-CB 3.29Å; N310-K314 PolarHBondContact O-N 3.12Å; N310-K314 VanDerWaalsContact O-N 3.13Å; W311-K314 PolarHBondContact O-N 3.03Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.47Å
315N98.2Very high98Very high43 Ų4362.5 Ų62.523%0.2333%0.328CS..Hα-helixtrans-112.6-17.1-166.2-67.9-81.9000114.9W311 L312 K332W311-N315 HydrophobicContact CD2-CB 4.16Å; W311-N315 HydrophobicContact CZ2-CB 4.03Å; W311-N315 PolarHBondContact NE1-ND2 3.47Å; W311-N315 VanDerWaalsContact O-CB 3.28Å; W311-N315 WeakPolarHBondContact O-CB 3.41Å; W311-N315 PolarHBondContact O-N 3.17Å; W311-N315 PolarHBondContact O-ND2 3.35Å; L312-N315 PolarHBondContact O-N 3.44Å; N315-K332 WeakPolarHBondContact O-CE 3.11Å
316A97.9Very high98.2Very high22 Ų2260.1 Ų60.118%0.18231%0.312CS..  trans-59.1142.3172.200000110.5L312 E318 Y329 R330L312-A316 VanDerWaalsContact O-CB 3.23Å; L312-A316 WeakPolarHBondContact O-CB 3.44Å; L312-A316 PolarHBondContact O-N 2.88Å; A316-E318 PolarHBondContact O-N 3.19Å; A316-Y329 HydrophobicContact CB-CD1 3.69Å; A316-Y329 HydrophobicContact CB-CG 4.44Å; A316-R330 CarbonylContact C-O 3.54Å
317A98Very high98.2Very high52 Ų5260.1 Ų60.143%0.4331%0.312SS..SBendtrans-68.8-27.9173.800000111.4R330A317-R330 WeakPolarHBondContact CB-O 3.11Å; A317-R330 PolarHBondContact N-O 3.24Å
318E98.4Very high98.2Very high84 Ų8463.2 Ų63.239%0.39332%0.324SS..EExtended strand (participates in β ladder)trans-159.9140.8-177.6-171.9174.1-160.900110.3A316 I320 Y329 R330A316-E318 PolarHBondContact O-N 3.19Å; E318-I320 HydrophobicContact CG-CD1 4.48Å; E318-I320 HydrophobicContact CG-CG1 3.96Å; E318-Y329 CarbonylContact O-C 3.56Å; E318-Y329 WeakPolarHBondContact O-CA 3.44Å; E318-R330 HydrophobicContact CB-CB 4.15Å; E318-R330 PolarHBondContact N-O 3.02Å; E318-R330 PolarHBondContact O-N 3.24Å; E318-R330 IonicContact OE2-CZ 2.71Å; E318-R330 IonicContact OE2-NE 3.09Å; E318-R330 PolarHBondContact OE2-NE 3.16Å; E318-R330 IonicContact OE2-NH2 3.32Å; E318-R330 PolarHBondContact OE2-NH2 3.45Å
319R98.3Very high98.3Very high105 Ų10561.2 Ų61.240%0.39631%0.313SS..EExtended strand (participates in β ladder)trans-113.6120.1167.7177.2-176.3175.9171.72.6107.9D327 Y329 E342R319-D327 HydrophobicContact CG-CB 4.41Å; R319-D327 IonicContact CZ-OD1 3.23Å; R319-D327 IonicContact CZ-OD2 3.44Å; R319-D327 VanDerWaalsContact NE-CG 3.28Å; R319-D327 IonicContact NE-OD1 3.42Å; R319-D327 PolarHBondContact NE-OD1 3.5Å; R319-D327 IonicContact NE-OD2 3.79Å; R319-D327 VanDerWaalsContact NH2-CG 3.29Å; R319-D327 IonicContact NH2-OD1 2.77Å; R319-D327 PolarHBondContact NH2-OD1 3.26Å; R319-D327 IonicContact NH2-OD2 3.18Å; R319-D327 PolarHBondContact NH2-OD2 3.18Å; R319-Y329 HydrophobicContact CB-CD1 3.92Å; R319-Y329 HydrophobicContact CB-CE1 3.77Å; R319-Y329 WeakPolarHBondContact CD-OH 3.47Å; R319-Y329 HydrophobicContact CG-CD1 4.08Å; R319-Y329 HydrophobicContact CG-CE1 3.61Å; R319-Y329 HydrophobicContact CG-CE2 4.36Å; R319-Y329 PolarHBondContact NE-OH 2.75Å; R319-E342 IonicContact CZ-OE2 3.51Å; R319-E342 IonicContact NH1-OE2 2.82Å; R319-E342 IonicContact NH2-OE2 2.82Å; R319-E342 PolarHBondContact NH2-OE2 3.4Å
320I98.5Very high98.3Very high68 Ų6864.6 Ų64.635%0.34933%0.325SS..EExtended strand (participates in β ladder)trans-108.6113.6175.1-55.7174.2000107.5E318 V322 R328E318-I320 HydrophobicContact CG-CD1 4.48Å; E318-I320 HydrophobicContact CG-CG1 3.96Å; I320-V322 PolarHBondContact O-N 2.98Å; I320-R328 PolarHBondContact N-O 2.89Å; I320-R328 PolarHBondContact O-N 3.4Å
321N98.6Very high98.3Very high95 Ų9558.5 Ų58.551%0.50829%0.292SS..EExtended strand (participates in β ladder)trans-73.5117.6169.3-172.4-102.2000108.9K323 D327N321-K323 PolarHBondContact ND2-O 2.99Å; N321-K323 PolarHBondContact OD1-O 3.06Å; N321-D327 WeakPolarHBondContact CA-OD1 3.45Å; N321-D327 PolarHBondContact ND2-OD1 3.18Å
322V98.6Very high98.3Very high89 Ų8964.4 Ų64.454%0.53932%0.319SS..EExtended strand (participates in β ladder)trans-83-46.1-178.9179.30000109.9I320 V326 R328I320-V322 PolarHBondContact O-N 2.98Å; V322-V326 HydrophobicContact CB-CB 4.35Å; V322-V326 HydrophobicContact CB-CG1 4.14Å; V322-V326 WeakPolarHBondContact CB-O 3.43Å; V322-V326 HydrophobicContact CG2-CG1 4.44Å; V322-V326 PolarHBondContact N-O 2.87Å; V322-R328 HydrophobicContact CG2-CB 3.93Å
323K98.4Very high98.3Very high79 Ų7967.7 Ų67.734%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-164.1175.8175.868.4-178.8-177.7-1720108.5R206 A207 N321 Q325 V326R206-K323 PolarHBondContact O-NZ 2.95Å; A207-K323 WeakPolarHBondContact O-CE 3.45Å; A207-K323 PolarHBondContact O-NZ 3.05Å; A207-K323 VanDerWaalsContact O-NZ 3.14Å; N321-K323 PolarHBondContact ND2-O 2.99Å; N321-K323 PolarHBondContact OD1-O 3.06Å; K323-Q325 PolarHBondContact O-N 2.97Å; K323-V326 HydrophobicContact CD-CG2 4.44Å; K323-V326 HydrophobicContact CG-CB 3.95Å; K323-V326 HydrophobicContact CG-CG2 3.84Å; K323-V326 PolarHBondContact N-O 2.62Å; K323-V326 PolarHBondContact O-N 3.38Å
324P98.3Very high98.4Very high96 Ų9666.1 Ų66.162%0.62334%0.338SS*.THydrogen-bonded Turntrans-49.2129.2175.2-28.937000111.9V326P324-V326 PolarHBondContact O-N 3.28Å
325Q98.3Very high98.4Very high31 Ų3161.7 Ų61.715%0.14532%0.316CS..THydrogen-bonded Turntrans62.917.9179.3-67.867.853.800115.4F82 K323 A341F82-Q325 HydrophobicContact CD1-CG 4.28Å; F82-Q325 HydrophobicContact CD2-CG 4.16Å; F82-Q325 HydrophobicContact CE2-CG 4.42Å; F82-Q325 HydrophobicContact CG-CG 4.09Å; K323-Q325 PolarHBondContact O-N 2.97Å; Q325-A341 HydrophobicContact CB-CB 4.35Å; Q325-A341 HydrophobicContact CG-CB 4.43Å; Q325-A341 PolarHBondContact O-N 2.98Å
326V98.8Very high98.4Very high7 Ų760.9 Ų60.94%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-132.7111172.7-172.30000110A207 V322 K323 P324 I338 L340A207-V326 HydrophobicContact CB-CG2 3.78Å; V322-V326 HydrophobicContact CB-CB 4.35Å; V322-V326 HydrophobicContact CB-CG1 4.14Å; V322-V326 WeakPolarHBondContact CB-O 3.43Å; V322-V326 HydrophobicContact CG2-CG1 4.44Å; V322-V326 PolarHBondContact N-O 2.87Å; K323-V326 HydrophobicContact CD-CG2 4.44Å; K323-V326 HydrophobicContact CG-CB 3.95Å; K323-V326 HydrophobicContact CG-CG2 3.84Å; K323-V326 PolarHBondContact N-O 2.62Å; K323-V326 PolarHBondContact O-N 3.38Å; P324-V326 PolarHBondContact O-N 3.28Å; V326-I338 HydrophobicContact CG1-CG2 4.05Å; V326-L340 HydrophobicContact CG1-CD2 4.17Å; V326-L340 HydrophobicContact CG2-CD2 4.33Å
327D98.9Very high98.5Very high1 Ų159.9 Ų59.91%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-118135.6179.4-68.9-72.9000110.5R319 N321 Y329 I338 V339R319-D327 HydrophobicContact CG-CB 4.41Å; R319-D327 IonicContact CZ-OD1 3.23Å; R319-D327 IonicContact CZ-OD2 3.44Å; R319-D327 VanDerWaalsContact NE-CG 3.28Å; R319-D327 IonicContact NE-OD1 3.42Å; R319-D327 PolarHBondContact NE-OD1 3.5Å; R319-D327 IonicContact NE-OD2 3.79Å; R319-D327 VanDerWaalsContact NH2-CG 3.29Å; R319-D327 IonicContact NH2-OD1 2.77Å; R319-D327 PolarHBondContact NH2-OD1 3.26Å; R319-D327 IonicContact NH2-OD2 3.18Å; R319-D327 PolarHBondContact NH2-OD2 3.18Å; N321-D327 WeakPolarHBondContact CA-OD1 3.45Å; N321-D327 PolarHBondContact ND2-OD1 3.18Å; D327-Y329 HydrophobicContact CB-CD2 4.15Å; D327-Y329 HydrophobicContact CB-CE2 3.5Å; D327-I338 CarbonylContact O-C 3.59Å; D327-I338 WeakPolarHBondContact O-CA 3.02Å; D327-V339 PolarHBondContact N-O 2.72Å; D327-V339 VanDerWaalsContact N-O 3.1Å; D327-V339 PolarHBondContact O-N 3.07Å
328R98.8Very high98.5Very high68 Ų6858.8 Ų58.826%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-110.1114.9174.3-171.6176-174.3-113.85.1108.9D294 I320 V322 H336 I338D294-R328 VanDerWaalsContact CG-NH2 3.31Å; D294-R328 IonicContact OD1-CZ 3.61Å; D294-R328 IonicContact OD1-NE 2.97Å; D294-R328 PolarHBondContact OD1-NE 3.08Å; D294-R328 IonicContact OD1-NH2 3.59Å; D294-R328 PolarHBondContact OD1-NH2 3.26Å; D294-R328 VanDerWaalsContact OD1-NH2 3.09Å; D294-R328 IonicContact OD2-CZ 3.19Å; D294-R328 IonicContact OD2-NE 2.9Å; D294-R328 IonicContact OD2-NH2 3.82Å; D294-R328 PolarHBondContact OD2-NH2 3.31Å; I320-R328 PolarHBondContact N-O 2.89Å; I320-R328 PolarHBondContact O-N 3.4Å; V322-R328 HydrophobicContact CG2-CB 3.93Å; R328-H336 HydrophobicContact CG-CB 4.26Å; R328-H336 VanDerWaalsContact CZ-CG 3.42Å; R328-H336 PolarHBondContact NH1-CD2 3.44Å; R328-H336 VanDerWaalsContact NH1-CD2 3.31Å; R328-H336 PolarHBondContact NH1-NE2 3.33Å; R328-H336 VanDerWaalsContact NH2-CG 3.35Å; R328-H336 PolarHBondContact NH2-ND1 3.39Å; R328-I338 HydrophobicContact CG-CG1 4.16Å
329Y98.8Very high98.5Very high0 Ų054.8 Ų54.80%027%0.271CS..EExtended strand (participates in β ladder)trans-99.7127.6-178.8-69-97.3000110L312 N313 A316 E318 R319 D327 H336 V337 V339L312-Y329 HydrophobicContact CD1-CD1 4.3Å; L312-Y329 HydrophobicContact CD1-CG 4.17Å; L312-Y329 HydrophobicContact CD2-CD1 4.04Å; L312-Y329 HydrophobicContact CD2-CD2 3.59Å; L312-Y329 HydrophobicContact CD2-CE1 4.12Å; L312-Y329 HydrophobicContact CD2-CE2 3.7Å; L312-Y329 HydrophobicContact CD2-CG 3.75Å; L312-Y329 HydrophobicContact CG-CD1 3.7Å; L312-Y329 HydrophobicContact CG-CD2 4.17Å; L312-Y329 HydrophobicContact CG-CE1 3.92Å; L312-Y329 HydrophobicContact CG-CE2 4.39Å; L312-Y329 HydrophobicContact CG-CG 3.81Å; N313-Y329 WeakPolarHBondContact OD1-CE1 3.42Å; N313-Y329 PolarHBondContact OD1-OH 3.17Å; A316-Y329 HydrophobicContact CB-CD1 3.69Å; A316-Y329 HydrophobicContact CB-CG 4.44Å; E318-Y329 CarbonylContact O-C 3.56Å; E318-Y329 WeakPolarHBondContact O-CA 3.44Å; R319-Y329 HydrophobicContact CB-CD1 3.92Å; R319-Y329 HydrophobicContact CB-CE1 3.77Å; R319-Y329 WeakPolarHBondContact CD-OH 3.47Å; R319-Y329 HydrophobicContact CG-CD1 4.08Å; R319-Y329 HydrophobicContact CG-CE1 3.61Å; R319-Y329 HydrophobicContact CG-CE2 4.36Å; R319-Y329 PolarHBondContact NE-OH 2.75Å; D327-Y329 HydrophobicContact CB-CD2 4.15Å; D327-Y329 HydrophobicContact CB-CE2 3.5Å; Y329-H336 CarbonylContact O-C 3.4Å; Y329-H336 WeakPolarHBondContact O-CA 3.49Å; Y329-V337 PolarHBondContact N-O 3.01Å; Y329-V337 PolarHBondContact O-N 3.5Å; Y329-V339 HydrophobicContact CD2-CB 4.39Å; Y329-V339 HydrophobicContact CD2-CG2 4.06Å; Y329-V339 HydrophobicContact CE2-CB 4.06Å; Y329-V339 HydrophobicContact CE2-CG2 4.07Å
330R98.8Very high98.5Very high89 Ų8949.8 Ų49.834%0.33625%0.252SS..EExtended strand (participates in β ladder)trans-92.7120168.3-172.4169.658.386.90.3109A316 A317 E318A316-R330 CarbonylContact C-O 3.54Å; A317-R330 WeakPolarHBondContact CB-O 3.11Å; A317-R330 PolarHBondContact N-O 3.24Å; E318-R330 HydrophobicContact CB-CB 4.15Å; E318-R330 PolarHBondContact N-O 3.02Å; E318-R330 PolarHBondContact O-N 3.24Å; E318-R330 IonicContact OE2-CZ 2.71Å; E318-R330 IonicContact OE2-NE 3.09Å; E318-R330 PolarHBondContact OE2-NE 3.16Å; E318-R330 IonicContact OE2-NH2 3.32Å; E318-R330 PolarHBondContact OE2-NH2 3.45Å
331L98.6Very high98.5Very high5 Ų546.6 Ų46.63%0.02624%0.235CC..PPolyproline II helixtrans-81.3164.9178.1-57.8-177.4000111.2F288 W311 L312 N333 G334 R335 V337F288-L331 HydrophobicContact CB-CD1 4.35Å; F288-L331 WeakPolarHBondContact O-CD1 3.38Å; W311-L331 HydrophobicContact CH2-CD2 4.49Å; W311-L331 HydrophobicContact CZ3-CD2 4.35Å; L312-L331 HydrophobicContact CD1-CD2 3.7Å; L331-N333 WeakPolarHBondContact CB-OD1 3.37Å; L331-N333 PolarHBondContact O-N 3.37Å; L331-G334 PolarHBondContact O-N 3.46Å; L331-R335 PolarHBondContact N-O 3.3Å; L331-V337 HydrophobicContact CD1-CG2 4.01Å; L331-V337 HydrophobicContact CG-CG2 4.44Å
332K97.8Very high98.5Very high167 Ų16744.6 Ų44.673%0.72622%0.223SC*.THydrogen-bonded Turntrans-61.7-24.9177.9-68.9178.6-1791700113.6N315 G334N315-K332 WeakPolarHBondContact O-CE 3.11Å; K332-G334 PolarHBondContact O-N 2.89Å
333N97.4Very high98.4Very high69 Ų6940.4 Ų40.437%0.36920%0.197SC..THydrogen-bonded Turntrans-78.7-0.4175.367.613.2000113.4E289 L331 R335E289-N333 PolarHBondContact O-ND2 3.23Å; L331-N333 WeakPolarHBondContact CB-OD1 3.37Å; L331-N333 PolarHBondContact O-N 3.37Å; N333-R335 VanDerWaalsContact C-N 3.35Å; N333-R335 PolarHBondContact ND2-NH2 3.34Å; N333-R335 VanDerWaalsContact ND2-NH2 3.15Å; N333-R335 PolarHBondContact O-N 2.86Å; N333-R335 WeakPolarHBondContact OD1-CB 3.32Å; N333-R335 PolarHBondContact OD1-N 3.37Å
334G98.1Very high98.4Very high41 Ų4138.3 Ų38.342%0.42319%0.187SC..SBendtrans88-11.9179.200000115.4L331 K332L331-G334 PolarHBondContact O-N 3.46Å; K332-G334 PolarHBondContact O-N 2.89Å
335R98.6Very high98.4Very high85 Ų8534.3 Ų34.332%0.32116%0.161SC..  trans-79.4160.1175.1-68.4-167.7-70.5-80.16.8112E289 M291 D293 L331 N333E289-R335 PolarHBondContact O-NH2 3.27Å; M291-R335 WeakPolarHBondContact O-CD 3.23Å; M291-R335 PolarHBondContact O-NE 3.24Å; D293-R335 HydrophobicContact CB-CB 4.44Å; D293-R335 HydrophobicContact CB-CG 4.2Å; D293-R335 VanDerWaalsContact OD1-CA 3.28Å; D293-R335 WeakPolarHBondContact OD1-CA 3.34Å; L331-R335 PolarHBondContact N-O 3.3Å; N333-R335 VanDerWaalsContact C-N 3.35Å; N333-R335 PolarHBondContact ND2-NH2 3.34Å; N333-R335 VanDerWaalsContact ND2-NH2 3.15Å; N333-R335 PolarHBondContact O-N 2.86Å; N333-R335 WeakPolarHBondContact OD1-CB 3.32Å; N333-R335 PolarHBondContact OD1-N 3.37Å
336H98.8Very high98.4Very high26 Ų2632.9 Ų32.912%0.1215%0.154CC..EExtended strand (participates in β ladder)trans-110.6150.8178.8-58.681000112.2D293 D294 R328 Y329D293-H336 IonicContact OD1-CG 3.56Å; D293-H336 PolarHBondContact OD1-N 2.92Å; D293-H336 IonicContact OD1-ND1 2.78Å; D293-H336 PolarHBondContact OD1-ND1 3.28Å; D294-H336 WeakPolarHBondContact CA-O 3.3Å; D294-H336 PolarHBondContact N-O 3.04Å; D294-H336 WeakPolarHBondContact OD1-CB 3.43Å; R328-H336 HydrophobicContact CG-CB 4.26Å; R328-H336 VanDerWaalsContact CZ-CG 3.42Å; R328-H336 PolarHBondContact NH1-CD2 3.44Å; R328-H336 VanDerWaalsContact NH1-CD2 3.31Å; R328-H336 PolarHBondContact NH1-NE2 3.33Å; R328-H336 VanDerWaalsContact NH2-CG 3.35Å; R328-H336 PolarHBondContact NH2-ND1 3.39Å; Y329-H336 CarbonylContact O-C 3.4Å; Y329-H336 WeakPolarHBondContact O-CA 3.49Å
337V98.8Very high98.4Very high1 Ų132.8 Ų32.81%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-129.3133.4168.3179.50000107.9F288 M291 V297 Y329 L331 V339F288-V337 HydrophobicContact CD1-CG1 4.09Å; F288-V337 HydrophobicContact CD1-CG2 4.21Å; F288-V337 HydrophobicContact CE1-CG1 4.05Å; M291-V337 HydrophobicContact SD-CG1 4.41Å; M291-V337 HydrophobicContact SD-CG2 4.3Å; V297-V337 HydrophobicContact CB-CG1 4.3Å; V297-V337 HydrophobicContact CG2-CG1 3.59Å; Y329-V337 PolarHBondContact N-O 3.01Å; Y329-V337 PolarHBondContact O-N 3.5Å; L331-V337 HydrophobicContact CD1-CG2 4.01Å; L331-V337 HydrophobicContact CG-CG2 4.44Å; V337-V339 HydrophobicContact CG1-CG2 4.1Å
338I98.9Very high98.3Very high29 Ų2933.5 Ų33.515%0.14916%0.157CC..EExtended strand (participates in β ladder)trans-99.3118.8175.2-60.4168.6000107.5T208 D294 A295 I296 V297 V326 D327 R328 L340T208-I338 HydrophobicContact CG2-CG2 4.26Å; D294-I338 HydrophobicContact CB-CD1 4.13Å; A295-I338 PolarHBondContact O-N 3.42Å; I296-I338 CarbonylContact C-O 3.48Å; I296-I338 WeakPolarHBondContact CA-O 3.43Å; I296-I338 HydrophobicContact CG1-CB 4.16Å; I296-I338 HydrophobicContact CG1-CD1 4.24Å; I296-I338 HydrophobicContact CG1-CG2 4.45Å; V297-I338 PolarHBondContact N-O 3.25Å; V326-I338 HydrophobicContact CG1-CG2 4.05Å; D327-I338 CarbonylContact O-C 3.59Å; D327-I338 WeakPolarHBondContact O-CA 3.02Å; R328-I338 HydrophobicContact CG-CG1 4.16Å; I338-L340 HydrophobicContact CG2-CD2 3.97Å
339V98.8Very high98.2Very high0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-108.8134.8177.5-179.80000110.3V297 M309 L312 D327 Y329 V337V297-V339 HydrophobicContact CB-CG2 4.49Å; V297-V339 WeakPolarHBondContact O-CA 3.44Å; M309-V339 HydrophobicContact CE-CG1 3.88Å; M309-V339 HydrophobicContact SD-CG1 3.71Å; L312-V339 HydrophobicContact CD2-CG2 3.45Å; L312-V339 VanDerWaalsContact CD2-CG2 3.45Å; D327-V339 PolarHBondContact N-O 2.72Å; D327-V339 VanDerWaalsContact N-O 3.1Å; D327-V339 PolarHBondContact O-N 3.07Å; Y329-V339 HydrophobicContact CD2-CB 4.39Å; Y329-V339 HydrophobicContact CD2-CG2 4.06Å; Y329-V339 HydrophobicContact CE2-CB 4.06Å; Y329-V339 HydrophobicContact CE2-CG2 4.07Å; V337-V339 HydrophobicContact CG1-CG2 4.1Å
340L98.9Very high98.2Very high0 Ų031.4 Ų31.40%015%0.153CC..EExtended strand (participates in β ladder)trans-102.2138.3-179.7-50.5-170.3000110.9I204 A207 T208 I296 V297 C298 V326 I338 E342 G343 V346I204-L340 HydrophobicContact CG1-CD1 4.26Å; A207-L340 HydrophobicContact CB-CD1 3.88Å; A207-L340 HydrophobicContact CB-CD2 3.72Å; A207-L340 HydrophobicContact CB-CG 4.36Å; T208-L340 HydrophobicContact CG2-CD1 4.38Å; T208-L340 HydrophobicContact CG2-CD2 3.78Å; I296-L340 HydrophobicContact CG2-CD1 3.86Å; I296-L340 HydrophobicContact CG2-CG 4.07Å; V297-L340 PolarHBondContact O-N 3.38Å; V297-L340 VanDerWaalsContact O-N 3.11Å; C298-L340 HydrophobicContact CB-CB 3.89Å; C298-L340 HydrophobicContact CB-CD1 3.98Å; C298-L340 HydrophobicContact CB-CG 4.09Å; V326-L340 HydrophobicContact CG1-CD2 4.17Å; V326-L340 HydrophobicContact CG2-CD2 4.33Å; I338-L340 HydrophobicContact CG2-CD2 3.97Å; L340-E342 PolarHBondContact O-N 3.44Å; L340-G343 PolarHBondContact O-N 2.82Å; L340-G343 VanDerWaalsContact O-N 3.12Å; L340-V346 HydrophobicContact CB-CG2 3.83Å; L340-V346 HydrophobicContact CD1-CG2 3.73Å; L340-V346 HydrophobicContact CG-CG2 4.43Å
341A98.3Very high98.2Very high0 Ų027.6 Ų27.60%014%0.14CC..G310 helixtrans50.529.8175.700000114.9Q325 G343 R344Q325-A341 HydrophobicContact CB-CB 4.35Å; Q325-A341 HydrophobicContact CG-CB 4.43Å; Q325-A341 PolarHBondContact O-N 2.98Å; A341-G343 PolarHBondContact O-N 3.47Å; A341-G343 VanDerWaalsContact O-N 3.14Å; A341-R344 WeakPolarHBondContact O-CB 3.24Å; A341-R344 PolarHBondContact O-N 2.82Å
342E97.9Very high98.2Very high54 Ų5430 Ų3025%0.25215%0.152SC..G310 helixtrans53.434.3-178.9-51.8-170.4-118.300112.8F82 R319 L340 R344F82-E342 HydrophobicContact CE2-CB 4.42Å; F82-E342 HydrophobicContact CE2-CG 4.42Å; F82-E342 WeakPolarHBondContact CZ-OE1 3.28Å; R319-E342 IonicContact CZ-OE2 3.51Å; R319-E342 IonicContact NH1-OE2 2.82Å; R319-E342 IonicContact NH2-OE2 2.82Å; R319-E342 PolarHBondContact NH2-OE2 3.4Å; L340-E342 PolarHBondContact O-N 3.44Å; E342-R344 VanDerWaalsContact C-N 3.3Å; E342-R344 PolarHBondContact O-N 3.49Å
343G97.5Very high98.2Very high0 Ų022.4 Ų22.40%012%0.121CC..G310 helixtrans79.92.5-178.800000115.2N299 D304 L340 A341N299-G343 WeakPolarHBondContact CB-O 3.49Å; N299-G343 PolarHBondContact ND2-O 3.23Å; D304-G343 WeakPolarHBondContact CA-O 3.49Å; D304-G343 WeakPolarHBondContact CB-O 3.24Å; L340-G343 PolarHBondContact O-N 2.82Å; L340-G343 VanDerWaalsContact O-N 3.12Å; A341-G343 PolarHBondContact O-N 3.47Å; A341-G343 VanDerWaalsContact O-N 3.14Å
344R97.6Very high98.3Very high36 Ų3620.1 Ų20.114%0.13611%0.108CC..SBendtrans-82.5173.8170.6-66.1169.1173.877-9.9111.3I81 F82 D107 D304 A341 E342 V346I81-R344 VanDerWaalsContact CD1-NE 3.32Å; F82-R344 HydrophobicContact CD2-CB 4.39Å; D107-R344 IonicContact OD1-NH2 3.24Å; D107-R344 PolarHBondContact OD1-NH2 3.02Å; D304-R344 HydrophobicContact CB-CG 3.68Å; D304-R344 IonicContact OD2-CZ 2.97Å; D304-R344 VanDerWaalsContact OD2-CZ 3.23Å; D304-R344 IonicContact OD2-NE 3.02Å; D304-R344 IonicContact OD2-NH1 3.46Å; D304-R344 PolarHBondContact OD2-NH1 2.97Å; D304-R344 IonicContact OD2-NH2 2.72Å; A341-R344 WeakPolarHBondContact O-CB 3.24Å; A341-R344 PolarHBondContact O-N 2.82Å; E342-R344 VanDerWaalsContact C-N 3.3Å; E342-R344 PolarHBondContact O-N 3.49Å; R344-V346 PolarHBondContact O-N 3.43Å
345L97.7Very high98.3Very high12 Ų1220.2 Ų20.26%0.06310%0.101CC..BIsolated β-bridgetrans-47.3105.9179.5-74.3161.4000113.4N299 I300 G301 N347 L348 G349N299-L345 CarbonylContact O-C 3.57Å; N299-L345 WeakPolarHBondContact O-CA 3.49Å; I300-L345 VanDerWaalsContact O-CD2 3.28Å; I300-L345 WeakPolarHBondContact O-CD2 3.39Å; G301-L345 WeakPolarHBondContact O-CD2 3.48Å; G301-L345 VanDerWaalsContact O-CG 3.32Å; G301-L345 WeakPolarHBondContact O-CG 3.29Å; L345-N347 PolarHBondContact O-N 3.32Å; L345-L348 HydrophobicContact CB-CB 4.45Å; L345-L348 HydrophobicContact CB-CD1 4.37Å; L345-L348 HydrophobicContact CD1-CD1 4.05Å; L345-L348 PolarHBondContact O-N 3.03Å; L345-G349 WeakPolarHBondContact O-CA 3.46Å; L345-G349 PolarHBondContact O-N 2.7Å
346V98.8Very high98.3Very high0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-68.1-36.9-172.467.70000113.9L200 C298 N299 I300 L340 R344 L348 C350L200-V346 HydrophobicContact CD1-CG1 3.91Å; C298-V346 HydrophobicContact CB-CB 3.88Å; C298-V346 HydrophobicContact CB-CG1 4.16Å; C298-V346 HydrophobicContact CB-CG2 3.82Å; N299-V346 WeakPolarHBondContact O-CB 3.3Å; N299-V346 WeakPolarHBondContact O-CG1 3.48Å; N299-V346 PolarHBondContact O-N 3.19Å; I300-V346 HydrophobicContact CB-CG1 4.12Å; I300-V346 HydrophobicContact CD1-CG1 4.45Å; I300-V346 HydrophobicContact CG1-CG1 4.44Å; L340-V346 HydrophobicContact CB-CG2 3.83Å; L340-V346 HydrophobicContact CD1-CG2 3.73Å; L340-V346 HydrophobicContact CG-CG2 4.43Å; R344-V346 PolarHBondContact O-N 3.43Å; V346-L348 VanDerWaalsContact C-N 3.29Å; V346-L348 PolarHBondContact O-N 3.29Å; V346-C350 HydrophobicContact CG2-CB 4.23Å; V346-C350 WeakPolarHBondContact O-CA 3.48Å; V346-C350 VanDerWaalsContact O-CB 3.29Å; V346-C350 WeakPolarHBondContact O-CB 3.45Å; V346-C350 PolarHBondContact O-N 3.11Å
347N98.6Very high98.3Very high5 Ų518.1 Ų18.13%0.02710%0.097CC..Hα-helixtrans-66.1-32.6-178.661.1-24000112.2S199 I300 L345 A351 M352 G353 H354S199-N347 WeakPolarHBondContact O-CB 3.36Å; S199-N347 WeakPolarHBondContact OG-CB 3.39Å; S199-N347 PolarHBondContact OG-ND2 3.31Å; I300-N347 HydrophobicContact CD1-CB 3.84Å; I300-N347 HydrophobicContact CG1-CB 4.35Å; L345-N347 PolarHBondContact O-N 3.32Å; N347-A351 CarbonylContact O-C 2.92Å; N347-A351 VanDerWaalsContact O-C 3.23Å; N347-A351 WeakPolarHBondContact O-CA 3.39Å; N347-A351 VanDerWaalsContact O-CB 3.3Å; N347-A351 WeakPolarHBondContact O-CB 3.23Å; N347-A351 PolarHBondContact O-N 2.93Å; N347-M352 PolarHBondContact O-N 2.91Å; N347-G353 WeakPolarHBondContact O-CA 3.29Å; N347-G353 PolarHBondContact O-N 3.32Å; N347-H354 PolarHBondContact ND2-CD2 3.38Å; N347-H354 PolarHBondContact ND2-NE2 2.97Å
348L97.3Very high98.3Very high17 Ų1718.6 Ų18.69%0.08910%0.1CC..Hα-helixtrans-93.1-39.5177.5-73.6154.6000112.1H55 T57 K103 L345 V346H55-L348 HydrophobicContact CB-CD2 4.37Å; H55-L348 VanDerWaalsContact NE2-CD1 3.32Å; H55-L348 WeakPolarHBondContact NE2-CD1 3.35Å; T57-L348 HydrophobicContact CG2-CD2 4.12Å; K103-L348 PolarHBondContact NZ-O 3.44Å; L345-L348 HydrophobicContact CB-CB 4.45Å; L345-L348 HydrophobicContact CB-CD1 4.37Å; L345-L348 HydrophobicContact CD1-CD1 4.05Å; L345-L348 PolarHBondContact O-N 3.03Å; V346-L348 VanDerWaalsContact C-N 3.29Å; V346-L348 PolarHBondContact O-N 3.29Å
349G96.7Very high98.3Very high2 Ų218.2 Ų18.22%0.02110%0.098CC..Hα-helixtrans-68.5-44.1179.800000112.7K103 L345K103-G349 PolarHBondContact NZ-O 3.4Å; L345-G349 WeakPolarHBondContact O-CA 3.46Å; L345-G349 PolarHBondContact O-N 2.7Å
350C98.6Very high98.3Very high21 Ų2118.2 Ų18.214%0.14210%0.098CC..SBendtrans-103.2-8.4-177.1-60.60000114.1G203 R206 A207 V346G203-C350 WeakPolarHBondContact O-CB 3.4Å; R206-C350 WeakPolarHBondContact CB-O 3.4Å; A207-C350 HydrophobicContact CB-CB 4.09Å; V346-C350 HydrophobicContact CG2-CB 4.23Å; V346-C350 WeakPolarHBondContact O-CA 3.48Å; V346-C350 VanDerWaalsContact O-CB 3.29Å; V346-C350 WeakPolarHBondContact O-CB 3.45Å; V346-C350 PolarHBondContact O-N 3.11Å
351A98.5Very high98.3Very high9 Ų918.5 Ų18.57%0.07410%0.099CC..SBendtrans-140.5-138.8176.600000112.1D202 N347D202-A351 HydrophobicContact CB-CB 4.14Å; D202-A351 WeakPolarHBondContact OD2-CB 3.27Å; N347-A351 CarbonylContact O-C 2.92Å; N347-A351 VanDerWaalsContact O-C 3.23Å; N347-A351 WeakPolarHBondContact O-CA 3.39Å; N347-A351 VanDerWaalsContact O-CB 3.3Å; N347-A351 WeakPolarHBondContact O-CB 3.23Å; N347-A351 PolarHBondContact O-N 2.93Å
352M98.2Very high98.3Very high56 Ų5618.5 Ų18.528%0.27610%0.099SC..  trans-116.99-171.2-58.6-61.9-74.800113.1Q85 R206 N347Q85-M352 HydrophobicContact CG-CE 3.84Å; Q85-M352 HydrophobicContact CG-SD 4.34Å; Q85-M352 PolarHBondContact NE2-O 2.98Å; R206-M352 VanDerWaalsContact NH1-CG 3.28Å; N347-M352 PolarHBondContact O-N 2.91Å
353G98.2Very high98.3Very high7 Ų716 Ų167%0.0729%0.087CC..  trans69-154.8-171.100000112.5S199 N347S199-G353 WeakPolarHBondContact CB-O 3.34Å; N347-G353 WeakPolarHBondContact O-CA 3.29Å; N347-G353 PolarHBondContact O-N 3.32Å
354H98.7Very high98.4Very high21 Ų2116 Ų1610%0.0979%0.087CC..SBendtrans-71.4147.5-178.7-67.7178.3000111.9D191 G195 C196 S199 N347 V358 M359D191-H354 PolarHBondContact O-CE1 3.09Å; D191-H354 VanDerWaalsContact O-CE1 3.28Å; D191-H354 IonicContact OD1-CE1 3.64Å; D191-H354 PolarHBondContact OD1-CE1 3.16Å; D191-H354 IonicContact OD1-CG 3.63Å; D191-H354 IonicContact OD1-ND1 2.73Å; D191-H354 PolarHBondContact OD1-ND1 3.01Å; G195-H354 PolarHBondContact O-CD2 2.9Å; C196-H354 PolarHBondContact N-NE2 2.91Å; C196-H354 PolarHBondContact SG-NE2 3.4Å; S199-H354 PolarHBondContact OG-CD2 2.99Å; S199-H354 PolarHBondContact OG-NE2 3.41Å; N347-H354 PolarHBondContact ND2-CD2 3.38Å; N347-H354 PolarHBondContact ND2-NE2 2.97Å; H354-V358 HydrophobicContact CB-CG1 3.8Å; H354-M359 HydrophobicContact CB-CG 3.75Å; H354-M359 HydrophobicContact CB-SD 3.48Å; H354-M359 WeakPolarHBondContact CB-SD 3.47Å
355P98.5Very high98.5Very high44 Ų4414.2 Ų14.229%0.2868%0.081SC..  trans-65.8154.6177.628.5-35.2000111.7F357 V358 M359P355-F357 VanDerWaalsContact C-N 3.27Å; P355-F357 PolarHBondContact O-N 3.23Å; P355-F357 VanDerWaalsContact O-N 3.16Å; P355-V358 HydrophobicContact CG-CG1 4.08Å; P355-V358 WeakPolarHBondContact O-CG1 3.46Å; P355-V358 PolarHBondContact O-N 2.84Å; P355-M359 PolarHBondContact O-N 3.4Å
356S98.7Very high98.5Very high20 Ų2013.7 Ų13.714%0.148%0.078CC..Hα-helixtrans-56.7-37.8-172.3-52.90000114.1M29 Q59 V358 M359 S360M29-S356 WeakPolarHBondContact CG-O 3.44Å; Q59-S356 PolarHBondContact NE2-OG 3.09Å; S356-V358 PolarHBondContact O-N 3.4Å; S356-M359 PolarHBondContact O-N 3.39Å; S356-S360 PolarHBondContact O-N 2.86Å
357F98.9Very high98.5Very high46 Ų4613.7 Ų13.720%0.2028%0.078CC..Hα-helixtrans-60.3-46.9-178-172.2-89.6000113.2E28 P30 P355 S360 H399 K402 L403E28-F357 WeakPolarHBondContact O-CA 3.35Å; P30-F357 HydrophobicContact CG-CE2 4.11Å; P355-F357 VanDerWaalsContact C-N 3.27Å; P355-F357 PolarHBondContact O-N 3.23Å; P355-F357 VanDerWaalsContact O-N 3.16Å; F357-S360 VanDerWaalsContact O-CB 3.22Å; F357-S360 WeakPolarHBondContact O-CB 3.4Å; F357-S360 PolarHBondContact O-N 2.91Å; F357-H399 HydrophobicContact CZ-CB 3.96Å; F357-K402 HydrophobicContact CD2-CG 4.34Å; F357-K402 HydrophobicContact CE2-CB 4.18Å; F357-K402 HydrophobicContact CE2-CG 3.82Å; F357-L403 HydrophobicContact CE1-CD1 3.96Å; F357-L403 HydrophobicContact CE1-CD2 4.28Å; F357-L403 HydrophobicContact CE1-CG 4.35Å; F357-L403 HydrophobicContact CE2-CD2 3.91Å; F357-L403 HydrophobicContact CE2-CG 4.11Å; F357-L403 HydrophobicContact CZ-CD1 3.6Å; F357-L403 HydrophobicContact CZ-CD2 3.69Å; F357-L403 HydrophobicContact CZ-CG 3.59Å
358V98.6Very high98.5Very high11 Ų1113.7 Ų13.77%0.0678%0.078CC..Hα-helixtrans-72.8-35.3-179.977.30000111.6F190 D191 H354 P355 S356 S360 N361F190-V358 HydrophobicContact CB-CG2 3.97Å; F190-V358 WeakPolarHBondContact O-CG2 3.43Å; D191-V358 HydrophobicContact CB-CG2 4.49Å; H354-V358 HydrophobicContact CB-CG1 3.8Å; P355-V358 HydrophobicContact CG-CG1 4.08Å; P355-V358 WeakPolarHBondContact O-CG1 3.46Å; P355-V358 PolarHBondContact O-N 2.84Å; S356-V358 PolarHBondContact O-N 3.4Å; V358-S360 PolarHBondContact O-N 3.08Å; V358-N361 WeakPolarHBondContact O-CB 3.35Å; V358-N361 PolarHBondContact O-N 3.03Å; V358-N361 VanDerWaalsContact O-N 3.08Å
359M98.7Very high98.6Very high22 Ų2212.9 Ų12.911%0.1087%0.073CC..Hα-helixtrans-65.3-25.1174.2-65.9-48.2-60.300112.8M29 Q59 D191 H354 P355 S356 N361 S362 F363M29-M359 HydrophobicContact CE-CB 4.25Å; Q59-M359 HydrophobicContact CB-CB 3.88Å; Q59-M359 HydrophobicContact CB-CG 4.15Å; Q59-M359 HydrophobicContact CG-CB 3.88Å; Q59-M359 HydrophobicContact CG-CG 3.94Å; D191-M359 VanDerWaalsContact OD2-SD 3.36Å; H354-M359 HydrophobicContact CB-CG 3.75Å; H354-M359 HydrophobicContact CB-SD 3.48Å; H354-M359 WeakPolarHBondContact CB-SD 3.47Å; P355-M359 PolarHBondContact O-N 3.4Å; S356-M359 PolarHBondContact O-N 3.39Å; M359-N361 PolarHBondContact O-N 2.86Å; M359-S362 PolarHBondContact O-N 2.92Å; M359-F363 HydrophobicContact CB-CD2 4.33Å; M359-F363 HydrophobicContact CB-CE2 4.2Å; M359-F363 HydrophobicContact CE-CD1 4.12Å; M359-F363 HydrophobicContact CE-CE1 3.39Å; M359-F363 HydrophobicContact CE-CE2 3.93Å; M359-F363 HydrophobicContact CE-CZ 3.28Å; M359-F363 WeakPolarHBondContact O-CB 3.5Å; M359-F363 WeakPolarHBondContact O-CG 3.48Å; M359-F363 PolarHBondContact O-N 3.45Å
360S98.9Very high98.7Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-59.9-36.1172.3-173.10000112M29 G31 S356 F357 V358 T364 H399M29-S360 VanDerWaalsContact CA-OG 3.29Å; M29-S360 WeakPolarHBondContact CA-OG 3.45Å; G31-S360 PolarHBondContact N-OG 2.94Å; G31-S360 VanDerWaalsContact N-OG 3.15Å; S356-S360 PolarHBondContact O-N 2.86Å; F357-S360 VanDerWaalsContact O-CB 3.22Å; F357-S360 WeakPolarHBondContact O-CB 3.4Å; F357-S360 PolarHBondContact O-N 2.91Å; V358-S360 PolarHBondContact O-N 3.08Å; S360-T364 VanDerWaalsContact O-CB 3.23Å; S360-T364 WeakPolarHBondContact O-CB 3.42Å; S360-T364 PolarHBondContact O-N 3.21Å; S360-T364 PolarHBondContact O-OG1 3.25Å; S360-H399 VanDerWaalsContact C-NE2 3.33Å; S360-H399 WeakPolarHBondContact CB-NE2 3.28Å; S360-H399 PolarHBondContact OG-NE2 3.34Å
361N98.8Very high98.7Very high5 Ų512.4 Ų12.43%0.0277%0.069CC..Hα-helixtrans-63.4-54.9175.2-69.920.9000110.7T186 F190 V358 M359 F363 T364 N365 V395 H399T186-N361 WeakPolarHBondContact O-CB 3.23Å; T186-N361 PolarHBondContact O-ND2 3.49Å; F190-N361 WeakPolarHBondContact CD1-ND2 3.27Å; F190-N361 WeakPolarHBondContact CG-ND2 3.41Å; V358-N361 WeakPolarHBondContact O-CB 3.35Å; V358-N361 PolarHBondContact O-N 3.03Å; V358-N361 VanDerWaalsContact O-N 3.08Å; M359-N361 PolarHBondContact O-N 2.86Å; N361-F363 PolarHBondContact O-N 2.91Å; N361-T364 PolarHBondContact O-N 2.91Å; N361-N365 PolarHBondContact O-N 3.06Å; N361-N365 VanDerWaalsContact O-N 3.07Å; N361-N365 PolarHBondContact O-ND2 2.84Å; N361-V395 HydrophobicContact CB-CG1 4.13Å; N361-H399 PolarHBondContact N-NE2 2.9Å; N361-H399 PolarHBondContact OD1-CD2 2.9Å; N361-H399 PolarHBondContact OD1-CE1 3.1Å; N361-H399 VanDerWaalsContact OD1-CG 3.29Å; N361-H399 PolarHBondContact OD1-ND1 2.81Å; N361-H399 PolarHBondContact OD1-NE2 3.32Å
362S98.6Very high98.7Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-55.4-50-179.3-54.80000111.9E157 D191 M359 T364 N365 Q366E157-S362 VanDerWaalsContact OE1-CB 3.32Å; E157-S362 WeakPolarHBondContact OE1-CB 3.49Å; D191-S362 VanDerWaalsContact CB-OG 3.26Å; D191-S362 WeakPolarHBondContact CB-OG 3.33Å; D191-S362 VanDerWaalsContact CG-OG 3.31Å; D191-S362 WeakPolarHBondContact OD2-CB 3.41Å; D191-S362 PolarHBondContact OD2-OG 2.68Å; M359-S362 PolarHBondContact O-N 2.92Å; S362-T364 VanDerWaalsContact C-N 3.35Å; S362-T364 PolarHBondContact O-N 3.21Å; S362-N365 WeakPolarHBondContact O-CA 3.48Å; S362-N365 VanDerWaalsContact O-CB 3.3Å; S362-N365 WeakPolarHBondContact O-CB 3.31Å; S362-N365 PolarHBondContact O-N 3.09Å; S362-N365 VanDerWaalsContact O-N 3.07Å; S362-Q366 PolarHBondContact O-N 3.06Å
363F98.9Very high98.7Very high1 Ų110.7 Ų10.70%0.0046%0.059CC..Hα-helixtrans-75.7-24.4-176.6-64.9-13.1000113.1M29 L32 L54 Q59 L63 M359 N361 N365 Q366 V367M29-F363 HydrophobicContact CE-CD2 3.86Å; L32-F363 HydrophobicContact CD1-CB 3.93Å; L32-F363 HydrophobicContact CD1-CD2 4.5Å; L32-F363 HydrophobicContact CD2-CB 3.92Å; L32-F363 WeakPolarHBondContact CD2-O 3.49Å; L32-F363 HydrophobicContact CG-CB 4.23Å; L54-F363 HydrophobicContact CD1-CE1 3.94Å; L54-F363 HydrophobicContact CD1-CZ 4.49Å; L54-F363 HydrophobicContact CD2-CE1 3.95Å; L54-F363 HydrophobicContact CD2-CZ 3.69Å; Q59-F363 VanDerWaalsContact C-CE2 3.49Å; Q59-F363 HydrophobicContact CB-CD2 4.35Å; Q59-F363 HydrophobicContact CB-CE2 3.7Å; L63-F363 HydrophobicContact CB-CB 4.14Å; L63-F363 HydrophobicContact CB-CD2 3.78Å; L63-F363 HydrophobicContact CB-CE2 4.39Å; L63-F363 HydrophobicContact CB-CG 4.05Å; L63-F363 HydrophobicContact CD1-CB 4.15Å; L63-F363 HydrophobicContact CD2-CB 4.24Å; L63-F363 HydrophobicContact CD2-CD1 3.84Å; L63-F363 HydrophobicContact CD2-CD2 4.15Å; L63-F363 HydrophobicContact CD2-CE1 4.18Å; L63-F363 HydrophobicContact CD2-CE2 4.47Å; L63-F363 HydrophobicContact CD2-CG 3.82Å; L63-F363 HydrophobicContact CD2-CZ 4.48Å; L63-F363 HydrophobicContact CG-CB 4.4Å; L63-F363 HydrophobicContact CG-CG 4.38Å; M359-F363 HydrophobicContact CB-CD2 4.33Å; M359-F363 HydrophobicContact CB-CE2 4.2Å; M359-F363 HydrophobicContact CE-CD1 4.12Å; M359-F363 HydrophobicContact CE-CE1 3.39Å; M359-F363 HydrophobicContact CE-CE2 3.93Å; M359-F363 HydrophobicContact CE-CZ 3.28Å; M359-F363 WeakPolarHBondContact O-CB 3.5Å; M359-F363 WeakPolarHBondContact O-CG 3.48Å; M359-F363 PolarHBondContact O-N 3.45Å; N361-F363 PolarHBondContact O-N 2.91Å; F363-N365 VanDerWaalsContact C-N 3.34Å; F363-Q366 HydrophobicContact CD1-CG 4.39Å; F363-Q366 PolarHBondContact O-N 3.29Å; F363-V367 WeakPolarHBondContact O-CG2 3.44Å; F363-V367 PolarHBondContact O-N 3.2Å
364T98.9Very high98.7Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-65.7-40.7167.2-57.10000110.5G31 L32 M35 S360 N361 S362 V367 L368 V395G31-T364 VanDerWaalsContact CA-OG1 3.29Å; G31-T364 WeakPolarHBondContact CA-OG1 3.35Å; L32-T364 PolarHBondContact N-OG1 2.9Å; M35-T364 HydrophobicContact CE-CG2 3.95Å; M35-T364 HydrophobicContact CG-CG2 3.86Å; M35-T364 HydrophobicContact SD-CG2 4Å; S360-T364 VanDerWaalsContact O-CB 3.23Å; S360-T364 WeakPolarHBondContact O-CB 3.42Å; S360-T364 PolarHBondContact O-N 3.21Å; S360-T364 PolarHBondContact O-OG1 3.25Å; N361-T364 PolarHBondContact O-N 2.91Å; S362-T364 VanDerWaalsContact C-N 3.35Å; S362-T364 PolarHBondContact O-N 3.21Å; T364-V367 PolarHBondContact O-N 3.47Å; T364-L368 HydrophobicContact CG2-CD1 4.17Å; T364-L368 WeakPolarHBondContact O-CG 3.43Å; T364-L368 PolarHBondContact O-N 3.28Å; T364-V395 HydrophobicContact CG2-CB 4.45Å; T364-V395 HydrophobicContact CG2-CG1 4.32Å; T364-V395 HydrophobicContact CG2-CG2 3.79Å
365N98.9Very high98.7Very high0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-60.9-43.5172.1-73.9-76.8000111.5V181 S184 T186 N361 S362 F363 V367 L368 A369 L387V181-N365 HydrophobicContact CG1-CB 3.62Å; S184-N365 WeakPolarHBondContact CB-OD1 3.45Å; T186-N365 PolarHBondContact OG1-ND2 3.4Å; T186-N365 PolarHBondContact OG1-OD1 2.62Å; N361-N365 PolarHBondContact O-N 3.06Å; N361-N365 VanDerWaalsContact O-N 3.07Å; N361-N365 PolarHBondContact O-ND2 2.84Å; S362-N365 WeakPolarHBondContact O-CA 3.48Å; S362-N365 VanDerWaalsContact O-CB 3.3Å; S362-N365 WeakPolarHBondContact O-CB 3.31Å; S362-N365 PolarHBondContact O-N 3.09Å; S362-N365 VanDerWaalsContact O-N 3.07Å; F363-N365 VanDerWaalsContact C-N 3.34Å; N365-V367 PolarHBondContact O-N 2.99Å; N365-L368 PolarHBondContact O-N 3.24Å; N365-A369 WeakPolarHBondContact O-CB 3.43Å; N365-A369 PolarHBondContact O-N 3.28Å; N365-L387 HydrophobicContact CB-CD1 3.75Å; N365-L387 VanDerWaalsContact OD1-CD1 3.28Å; N365-L387 WeakPolarHBondContact OD1-CD1 3.3Å
366Q98.8Very high98.6Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-57.5-47.8175.2-74.7-726.100112.6L63 L130 S155 E157 V181 S362 F363 L368 A369 Q370L63-Q366 HydrophobicContact CD1-CB 4.38Å; L130-Q366 HydrophobicContact CD1-CB 4.09Å; L130-Q366 HydrophobicContact CD1-CG 4.43Å; S155-Q366 PolarHBondContact OG-OE1 2.82Å; E157-Q366 VanDerWaalsContact OE2-CD 3.28Å; E157-Q366 WeakPolarHBondContact OE2-CG 3.47Å; E157-Q366 PolarHBondContact OE2-NE2 3.17Å; V181-Q366 HydrophobicContact CG1-CG 4.25Å; S362-Q366 PolarHBondContact O-N 3.06Å; F363-Q366 HydrophobicContact CD1-CG 4.39Å; F363-Q366 PolarHBondContact O-N 3.29Å; Q366-L368 VanDerWaalsContact C-N 3.33Å; Q366-L368 PolarHBondContact O-N 3Å; Q366-A369 PolarHBondContact O-N 3.27Å; Q366-Q370 WeakPolarHBondContact O-CB 3.31Å; Q366-Q370 VanDerWaalsContact O-CG 3.29Å; Q366-Q370 WeakPolarHBondContact O-CG 3.29Å; Q366-Q370 PolarHBondContact O-N 3.41Å
367V98.9Very high98.2Very high0 Ų014.5 Ų14.50%08%0.077CC..Hα-helixtrans-60-44.9177.8170.90000110.9L32 M35 L63 T66 L67 L70 F363 T364 N365 Q370 I371L32-V367 HydrophobicContact CD2-CG2 3.87Å; M35-V367 HydrophobicContact CB-CG1 4.09Å; M35-V367 HydrophobicContact CG-CB 4.42Å; M35-V367 HydrophobicContact CG-CG1 4.01Å; L63-V367 HydrophobicContact CD1-CG2 3.61Å; T66-V367 HydrophobicContact CG2-CG1 4.45Å; T66-V367 HydrophobicContact CG2-CG2 3.91Å; L67-V367 HydrophobicContact CD2-CG2 4.06Å; L70-V367 HydrophobicContact CD2-CG1 3.6Å; F363-V367 WeakPolarHBondContact O-CG2 3.44Å; F363-V367 PolarHBondContact O-N 3.2Å; T364-V367 PolarHBondContact O-N 3.47Å; N365-V367 PolarHBondContact O-N 2.99Å; V367-Q370 PolarHBondContact O-N 3.07Å; V367-I371 HydrophobicContact CG1-CD1 3.9Å; V367-I371 VanDerWaalsContact O-CG1 3.27Å; V367-I371 WeakPolarHBondContact O-CG1 3.19Å; V367-I371 PolarHBondContact O-N 3.26Å
368L98.8Very high97.9Very high5 Ų518 Ų183%0.02611%0.107CC..Hα-helixtrans-65.4-39178.1-69.1171.1000112.1M35 Y39 T364 N365 Q366 I371 E372 L387 L391 V395M35-L368 HydrophobicContact SD-CD2 3.77Å; M35-L368 HydrophobicContact SD-CG 4.08Å; Y39-L368 HydrophobicContact CE2-CD2 4.34Å; T364-L368 HydrophobicContact CG2-CD1 4.17Å; T364-L368 WeakPolarHBondContact O-CG 3.43Å; T364-L368 PolarHBondContact O-N 3.28Å; N365-L368 PolarHBondContact O-N 3.24Å; Q366-L368 VanDerWaalsContact C-N 3.33Å; Q366-L368 PolarHBondContact O-N 3Å; L368-I371 PolarHBondContact O-N 3.1Å; L368-E372 PolarHBondContact O-N 2.97Å; L368-L387 HydrophobicContact CB-CD2 4.41Å; L368-L391 HydrophobicContact CD1-CB 4.26Å; L368-V395 HydrophobicContact CD1-CG2 3.68Å
369A98.8Very high97.8Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-64-43.6175.600000111.9I179 V181 N365 Q366 E372 L373 L387I179-A369 HydrophobicContact CB-CB 4.04Å; I179-A369 HydrophobicContact CD1-CB 4Å; I179-A369 HydrophobicContact CG2-CB 3.7Å; V181-A369 HydrophobicContact CG2-CB 3.82Å; N365-A369 WeakPolarHBondContact O-CB 3.43Å; N365-A369 PolarHBondContact O-N 3.28Å; Q366-A369 PolarHBondContact O-N 3.27Å; A369-E372 PolarHBondContact O-N 2.68Å; A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 WeakPolarHBondContact O-CG 3.49Å; A369-L373 PolarHBondContact O-N 2.92Å; A369-L387 HydrophobicContact CB-CD2 4.19Å
370Q98.9Very high97.7Very high0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-62.5-42.7174.9-70.8-67.9-52.300111.4L45 I50 L67 I129 L130 S155 Q366 V367 W374L45-Q370 HydrophobicContact CD2-CB 4.32Å; I50-Q370 HydrophobicContact CD1-CG 4.48Å; L67-Q370 HydrophobicContact CD2-CB 4.41Å; L67-Q370 HydrophobicContact CD2-CG 4.35Å; I129-Q370 PolarHBondContact O-NE2 2.91Å; L130-Q370 HydrophobicContact CD1-CG 4.19Å; S155-Q370 PolarHBondContact OG-NE2 2.96Å; Q366-Q370 WeakPolarHBondContact O-CB 3.31Å; Q366-Q370 VanDerWaalsContact O-CG 3.29Å; Q366-Q370 WeakPolarHBondContact O-CG 3.29Å; Q366-Q370 PolarHBondContact O-N 3.41Å; V367-Q370 PolarHBondContact O-N 3.07Å; Q370-W374 WeakPolarHBondContact O-CB 3.28Å; Q370-W374 PolarHBondContact O-N 3.28Å
371I98.7Very high97.7Very high14 Ų1427.7 Ų27.77%0.07216%0.156CC..Hα-helixtrans-61.9-47.6175.3-68.4166.2000110.7Y39 P44 L45 L70 V367 L368 W374 T375Y39-I371 HydrophobicContact CD2-CD1 3.99Å; Y39-I371 HydrophobicContact CE2-CD1 4.22Å; Y39-I371 HydrophobicContact CG-CD1 4.35Å; P44-I371 HydrophobicContact CB-CG1 4.5Å; P44-I371 HydrophobicContact CB-CG2 4.38Å; P44-I371 HydrophobicContact CG-CD1 4.16Å; P44-I371 HydrophobicContact CG-CG1 4.08Å; L45-I371 HydrophobicContact CD2-CG1 3.98Å; L45-I371 HydrophobicContact CG-CG1 4.2Å; L70-I371 HydrophobicContact CD2-CD1 3.8Å; L70-I371 HydrophobicContact CD2-CG1 4.36Å; V367-I371 HydrophobicContact CG1-CD1 3.9Å; V367-I371 VanDerWaalsContact O-CG1 3.27Å; V367-I371 WeakPolarHBondContact O-CG1 3.19Å; V367-I371 PolarHBondContact O-N 3.26Å; L368-I371 PolarHBondContact O-N 3.1Å; I371-W374 PolarHBondContact O-N 3.13Å; I371-T375 HydrophobicContact CG2-CG2 4.29Å; I371-T375 WeakPolarHBondContact O-CB 3.37Å; I371-T375 WeakPolarHBondContact O-CG2 3.44Å; I371-T375 PolarHBondContact O-N 2.62Å; I371-T375 PolarHBondContact O-OG1 2.82Å
372E98.2Very high97.6Very high29 Ų2931.1 Ų31.114%0.13618%0.177CC..Hα-helixtrans-62.1-50.3-179.5-83.7-57.2127.900111.6I179 L368 A369 W374 N376 Y380 L391I179-E372 HydrophobicContact CD1-CB 4.08Å; L368-E372 PolarHBondContact O-N 2.97Å; A369-E372 PolarHBondContact O-N 2.68Å; E372-W374 VanDerWaalsContact C-N 3.31Å; E372-W374 PolarHBondContact O-N 2.89Å; E372-N376 VanDerWaalsContact CD-ND2 3.29Å; E372-N376 CarbonylContact O-C 3.51Å; E372-N376 WeakPolarHBondContact O-CA 3.46Å; E372-N376 VanDerWaalsContact O-CB 3.29Å; E372-N376 WeakPolarHBondContact O-CB 3.25Å; E372-N376 PolarHBondContact O-N 2.95Å; E372-N376 PolarHBondContact OE1-ND2 2.93Å; E372-N376 VanDerWaalsContact OE1-ND2 3.08Å; E372-N376 PolarHBondContact OE2-ND2 3.45Å; E372-Y380 HydrophobicContact CB-CE2 4.02Å; E372-Y380 PolarHBondContact OE2-OH 3.33Å; E372-Y380 VanDerWaalsContact OE2-OH 3.05Å; E372-L391 HydrophobicContact CG-CD1 3.91Å
373L98.4Very high97.6Very high0 Ų031.4 Ų31.40%018%0.18CC..Hα-helixtrans-62.8-37.9178.6-74.6168.1000112.3M128 V154 P177 I179 A369 T377 Y380M128-L373 HydrophobicContact CE-CB 3.65Å; M128-L373 HydrophobicContact CE-CD1 4.2Å; M128-L373 HydrophobicContact SD-CB 4.47Å; V154-L373 VanDerWaalsContact O-CD1 3.32Å; V154-L373 WeakPolarHBondContact O-CD1 3.37Å; P177-L373 HydrophobicContact CB-CD2 4.15Å; P177-L373 HydrophobicContact CG-CD2 4.1Å; I179-L373 HydrophobicContact CB-CD1 4.3Å; I179-L373 HydrophobicContact CD1-CD1 4.14Å; I179-L373 HydrophobicContact CD1-CD2 4.21Å; I179-L373 HydrophobicContact CD1-CG 3.7Å; I179-L373 HydrophobicContact CG1-CD1 4.03Å; I179-L373 HydrophobicContact CG1-CD2 4.07Å; I179-L373 HydrophobicContact CG1-CG 3.92Å; A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 WeakPolarHBondContact O-CG 3.49Å; A369-L373 PolarHBondContact O-N 2.92Å; L373-T377 WeakPolarHBondContact O-CA 3.4Å; L373-T377 WeakPolarHBondContact O-CB 3.37Å; L373-T377 PolarHBondContact O-OG1 3.15Å; L373-Y380 HydrophobicContact CD2-CD2 4.4Å; L373-Y380 HydrophobicContact CD2-CG 4.33Å
374W98.6Very high97.6Very high24 Ų2432.3 Ų32.39%0.09119%0.185CC..Hα-helixtrans-76.2-43-177.2-178.7-109.9000113.4P44 L45 K46 G47 A48 N127 M128 R152 Q370 I371 E372 T377P44-W374 PolarHBondContact O-NE1 3.12Å; L45-W374 HydrophobicContact CD2-CB 4Å; L45-W374 HydrophobicContact CD2-CG 4.24Å; K46-W374 PolarHBondContact O-NE1 3.41Å; G47-W374 VanDerWaalsContact O-CH2 3.25Å; G47-W374 WeakPolarHBondContact O-CH2 3.49Å; A48-W374 HydrophobicContact CB-CD2 3.82Å; A48-W374 HydrophobicContact CB-CE3 4.01Å; A48-W374 HydrophobicContact CB-CG 4.26Å; A48-W374 HydrophobicContact CB-CZ2 4.32Å; A48-W374 HydrophobicContact CB-CZ3 4.35Å; A48-W374 VanDerWaalsContact N-CZ2 3.32Å; N127-W374 HydrophobicContact CB-CZ3 4.42Å; N127-W374 WeakPolarHBondContact ND2-CH2 3.36Å; M128-W374 HydrophobicContact CG-CE3 3.78Å; M128-W374 HydrophobicContact CG-CZ3 4.32Å; M128-W374 HydrophobicContact SD-CE3 3.98Å; R152-W374 HydrophobicContact CG-CE3 4.32Å; R152-W374 HydrophobicContact CG-CZ3 4.16Å; R152-W374 VanDerWaalsContact CZ-CZ3 3.48Å; R152-W374 PolarHBondContact NH1-O 2.88Å; Q370-W374 WeakPolarHBondContact O-CB 3.28Å; Q370-W374 PolarHBondContact O-N 3.28Å; I371-W374 PolarHBondContact O-N 3.13Å; E372-W374 VanDerWaalsContact C-N 3.31Å; E372-W374 PolarHBondContact O-N 2.89Å; W374-T377 PolarHBondContact O-OG1 3.18Å
375T97.8Very high97.6Very high66 Ų6635.3 Ų35.341%0.40520%0.197SC..Hα-helixtrans-95.1-25-17266.20000113.3P44 I371P44-T375 HydrophobicContact CB-CG2 4.2Å; I371-T375 HydrophobicContact CG2-CG2 4.29Å; I371-T375 WeakPolarHBondContact O-CB 3.37Å; I371-T375 WeakPolarHBondContact O-CG2 3.44Å; I371-T375 PolarHBondContact O-N 2.62Å; I371-T375 PolarHBondContact O-OG1 2.82Å
376N96.5Very high97.5Very high40 Ų4040.8 Ų40.821%0.21422%0.221CC..  trans-122.229.3-176.2-64.8-48000112.7E372 S378 K379 Y380E372-N376 VanDerWaalsContact CD-ND2 3.29Å; E372-N376 CarbonylContact O-C 3.51Å; E372-N376 WeakPolarHBondContact O-CA 3.46Å; E372-N376 VanDerWaalsContact O-CB 3.29Å; E372-N376 WeakPolarHBondContact O-CB 3.25Å; E372-N376 PolarHBondContact O-N 2.95Å; E372-N376 PolarHBondContact OE1-ND2 2.93Å; E372-N376 VanDerWaalsContact OE1-ND2 3.08Å; E372-N376 PolarHBondContact OE2-ND2 3.45Å; N376-S378 PolarHBondContact O-N 3.21Å; N376-K379 HydrophobicContact CB-CD 3.9Å; N376-K379 HydrophobicContact CB-CG 4.23Å; N376-K379 PolarHBondContact ND2-NZ 3.27Å; N376-K379 WeakPolarHBondContact O-CB 3.48Å; N376-K379 PolarHBondContact O-N 3.47Å; N376-K379 PolarHBondContact OD1-NZ 3.39Å; N376-Y380 HydrophobicContact CB-CE2 4.2Å; N376-Y380 WeakPolarHBondContact O-CD2 3.36Å
377T90.6Very high97.3Very high42 Ų4241.2 Ų41.226%0.25822%0.224SC..G310 helixtrans-49-35.5-174.3-41.40000113.9R152 L373 W374 K379 Y380R152-T377 HydrophobicContact CB-CG2 4.11Å; R152-T377 HydrophobicContact CG-CG2 4.48Å; L373-T377 WeakPolarHBondContact O-CA 3.4Å; L373-T377 WeakPolarHBondContact O-CB 3.37Å; L373-T377 PolarHBondContact O-OG1 3.15Å; W374-T377 PolarHBondContact O-OG1 3.18Å; T377-K379 PolarHBondContact O-N 3.02Å; T377-Y380 CarbonylContact O-C 3.47Å; T377-Y380 PolarHBondContact O-N 3.28Å
378S93.8Very high97.1Very high120 Ų12044 Ų4484%0.83924%0.241SC*.G310 helixtrans-63.4-20.6179.256.70000114.5N376 Y380N376-S378 PolarHBondContact O-N 3.21Å; S378-Y380 VanDerWaalsContact C-N 3.27Å
379K95.2Very high96.9Very high126 Ų12645.7 Ų45.755%0.54825%0.249SC..G310 helixtrans-76.9-15.5174.1-60.4-175.7-168.2161.90112.8N376 T377 P381N376-K379 HydrophobicContact CB-CD 3.9Å; N376-K379 HydrophobicContact CB-CG 4.23Å; N376-K379 PolarHBondContact ND2-NZ 3.27Å; N376-K379 WeakPolarHBondContact O-CB 3.48Å; N376-K379 PolarHBondContact O-N 3.47Å; N376-K379 PolarHBondContact OD1-NZ 3.39Å; T377-K379 PolarHBondContact O-N 3.02Å; K379-P381 VanDerWaalsContact O-CD 3.31Å; K379-P381 WeakPolarHBondContact O-CD 3.31Å
380Y97Very high96.8Very high21 Ų2149.3 Ų49.38%0.08226%0.264CS..  trans-120.979.8-171.4-56.8-75.7000110.1P177 I179 E372 L373 N376 T377 S378 Y385P177-Y380 VanDerWaalsContact CB-O 3.28Å; P177-Y380 WeakPolarHBondContact CB-O 3.46Å; P177-Y380 WeakPolarHBondContact CG-O 3.45Å; I179-Y380 HydrophobicContact CD1-CE1 4.49Å; E372-Y380 HydrophobicContact CB-CE2 4.02Å; E372-Y380 PolarHBondContact OE2-OH 3.33Å; E372-Y380 VanDerWaalsContact OE2-OH 3.05Å; L373-Y380 HydrophobicContact CD2-CD2 4.4Å; L373-Y380 HydrophobicContact CD2-CG 4.33Å; N376-Y380 HydrophobicContact CB-CE2 4.2Å; N376-Y380 WeakPolarHBondContact O-CD2 3.36Å; T377-Y380 CarbonylContact O-C 3.47Å; T377-Y380 PolarHBondContact O-N 3.28Å; S378-Y380 VanDerWaalsContact C-N 3.27Å; Y380-Y385 HydrophobicContact CD1-CD1 4.22Å; Y380-Y385 AromaticContact CD1-CD2 3.78Å; Y380-Y385 HydrophobicContact CD1-CD2 3.78Å; Y380-Y385 HydrophobicContact CD1-CE2 4.22Å; Y380-Y385 AromaticContact CD1-CG 3.79Å; Y380-Y385 HydrophobicContact CD1-CG 3.79Å; Y380-Y385 HydrophobicContact CE1-CG 4.3Å
381P97.8Very high96.8Very high88 Ų8850.5 Ų50.557%0.57127%0.271SS*.  trans-61.8167.7166.125.1-28.6000110.3K379 G383 Y385K379-P381 VanDerWaalsContact O-CD 3.31Å; K379-P381 WeakPolarHBondContact O-CD 3.31Å; P381-G383 PolarHBondContact O-N 3.29Å; P381-G383 VanDerWaalsContact O-N 3.08Å; P381-Y385 VanDerWaalsContact CD-OH 3.26Å; P381-Y385 WeakPolarHBondContact CD-OH 3.45Å; P381-Y385 VanDerWaalsContact CG-OH 3.28Å; P381-Y385 WeakPolarHBondContact CG-OH 3.26Å; P381-Y385 WeakPolarHBondContact O-CE2 3.45Å; P381-Y385 VanDerWaalsContact O-CZ 3.29Å; P381-Y385 PolarHBondContact O-OH 3Å
382V98.4Very high96.7Very high78 Ų7850.5 Ų50.547%0.47327%0.271SS..SBendtrans-52121.6178.9176.70000110.6L174L174-V382 HydrophobicContact CG-CG1 4.32Å; L174-V382 VanDerWaalsContact O-CG1 3.22Å; L174-V382 WeakPolarHBondContact O-CG1 3.46Å
383G98.4Very high96.7Very high6 Ų651.1 Ų51.16%0.06227%0.274CS..SBendtrans168174.7-169.900000111A178 P381A178-G383 PolarHBondContact N-O 3.33Å; P381-G383 PolarHBondContact O-N 3.29Å; P381-G383 VanDerWaalsContact O-N 3.08Å
384V98.6Very high96.7Very high19 Ų1953.8 Ų53.812%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-115.4121.4175.3-176.60000108.5L165 Y166 L169 L174 A178 N180L165-V384 HydrophobicContact CB-CG2 3.91Å; Y166-V384 HydrophobicContact CD1-CB 4.05Å; Y166-V384 HydrophobicContact CD1-CG1 4.32Å; Y166-V384 HydrophobicContact CD1-CG2 4.2Å; Y166-V384 HydrophobicContact CD2-CG1 4.5Å; Y166-V384 HydrophobicContact CE1-CB 3.64Å; Y166-V384 HydrophobicContact CE1-CG1 3.75Å; Y166-V384 HydrophobicContact CE1-CG2 4.3Å; Y166-V384 HydrophobicContact CE2-CG1 3.96Å; L169-V384 HydrophobicContact CB-CG2 4.44Å; L169-V384 HydrophobicContact CD2-CB 4.46Å; L169-V384 HydrophobicContact CD2-CG2 4.1Å; L174-V384 HydrophobicContact CD2-CG2 3.92Å; A178-V384 HydrophobicContact CB-CG2 4.26Å; A178-V384 CarbonylContact O-C 3.56Å; A178-V384 WeakPolarHBondContact O-CA 3.4Å; N180-V384 HydrophobicContact CB-CG1 3.91Å
385Y98.4Very high96.7Very high64 Ų6452.6 Ų52.625%0.25128%0.282SS..EExtended strand (participates in β ladder)trans-121.5156.2-171.7-56.3-87.4000111.6P177 A178 I179 N180 Y380 P381P177-Y385 HydrophobicContact CB-CE2 4.36Å; A178-Y385 WeakPolarHBondContact O-CD2 3.3Å; A178-Y385 PolarHBondContact O-N 3.07Å; I179-Y385 CarbonylContact C-O 3.6Å; I179-Y385 WeakPolarHBondContact CA-O 3.5Å; N180-Y385 WeakPolarHBondContact CB-O 3.47Å; N180-Y385 PolarHBondContact N-O 3.39Å; Y380-Y385 HydrophobicContact CD1-CD1 4.22Å; Y380-Y385 AromaticContact CD1-CD2 3.78Å; Y380-Y385 HydrophobicContact CD1-CD2 3.78Å; Y380-Y385 HydrophobicContact CD1-CE2 4.22Å; Y380-Y385 AromaticContact CD1-CG 3.79Å; Y380-Y385 HydrophobicContact CD1-CG 3.79Å; Y380-Y385 HydrophobicContact CE1-CG 4.3Å; P381-Y385 VanDerWaalsContact CD-OH 3.26Å; P381-Y385 WeakPolarHBondContact CD-OH 3.45Å; P381-Y385 VanDerWaalsContact CG-OH 3.28Å; P381-Y385 WeakPolarHBondContact CG-OH 3.26Å; P381-Y385 WeakPolarHBondContact O-CE2 3.45Å; P381-Y385 VanDerWaalsContact O-CZ 3.29Å; P381-Y385 PolarHBondContact O-OH 3Å
386F97.4Very high96.7Very high115 Ų11551 Ų5150%0.50428%0.275SS..EExtended strand (participates in β ladder)trans-91.5157.2166.9-56-70.9000110.4N180 D183N180-F386 HydrophobicContact CB-CD1 4.33Å; N180-F386 HydrophobicContact CB-CE1 4.47Å; N180-F386 VanDerWaalsContact ND2-CE1 3.35Å; N180-F386 WeakPolarHBondContact ND2-CE1 3.29Å; D183-F386 HydrophobicContact CB-CD1 4.01Å; D183-F386 HydrophobicContact CB-CE1 3.62Å
387L94.2Very high96.8Very high9 Ų951.6 Ų51.65%0.04729%0.285CS..PPolyproline II helixtrans-62.1141.3163.3-79.8170.8000110I179 N365 L368 A369 K389 L391I179-L387 HydrophobicContact CD1-CD2 4.32Å; I179-L387 HydrophobicContact CG2-CD2 4.31Å; I179-L387 HydrophobicContact CG2-CG 3.96Å; N365-L387 HydrophobicContact CB-CD1 3.75Å; N365-L387 VanDerWaalsContact OD1-CD1 3.28Å; N365-L387 WeakPolarHBondContact OD1-CD1 3.3Å; L368-L387 HydrophobicContact CB-CD2 4.41Å; A369-L387 HydrophobicContact CB-CD2 4.19Å; L387-K389 PolarHBondContact O-N 3.08Å; L387-L391 HydrophobicContact CD2-CD1 4.18Å
388P94.6Very high97.2Very high58 Ų5850.6 Ų50.638%0.37728%0.282SS..PPolyproline II helixtrans-53.3136.2171.1-25.532.6000111.3K390 L391 D392P388-K390 PolarHBondContact O-N 3.47Å; P388-L391 HydrophobicContact CB-CG 4.44Å; P388-L391 HydrophobicContact CG-CD1 4.32Å; P388-L391 WeakPolarHBondContact O-CA 3.42Å; P388-L391 WeakPolarHBondContact O-CB 3.22Å; P388-L391 PolarHBondContact O-N 3.24Å; P388-D392 PolarHBondContact O-N 3.29Å
389K95.8Very high97.4Very high41 Ų4145.2 Ų45.218%0.17824%0.243CC..Hα-helixtrans-53.2-32.2-178.2-169.4178-61.6-68.20113.7L387 L391 D392 E393 P425 K427 P428 D429L387-K389 PolarHBondContact O-N 3.08Å; K389-L391 VanDerWaalsContact C-N 3.32Å; K389-L391 PolarHBondContact O-N 3.04Å; K389-D392 WeakPolarHBondContact O-CB 3.2Å; K389-D392 PolarHBondContact O-N 2.66Å; K389-E393 WeakPolarHBondContact O-CG 3.09Å; K389-E393 PolarHBondContact O-N 3.5Å; K389-P425 HydrophobicContact CB-CB 4.26Å; K389-P425 HydrophobicContact CD-CB 3.84Å; K389-P425 HydrophobicContact CG-CB 4.07Å; K389-K427 HydrophobicContact CD-CB 4.43Å; K389-K427 WeakPolarHBondContact CD-O 3.25Å; K389-K427 WeakPolarHBondContact CE-O 3.35Å; K389-P428 VanDerWaalsContact CE-O 3.31Å; K389-P428 WeakPolarHBondContact CE-O 3.09Å; K389-P428 PolarHBondContact NZ-O 3.47Å; K389-D429 VanDerWaalsContact CE-OD1 3.28Å; K389-D429 WeakPolarHBondContact CE-OD1 3.37Å
390K96.5Very high97.6Very high76 Ų7641.1 Ų41.133%0.3323%0.227SC..Hα-helixtrans-61.7-38.5175.2-171.767.4166.6-158.60112.8P388 Q394 D423 G424P388-K390 PolarHBondContact O-N 3.47Å; K390-Q394 WeakPolarHBondContact O-CB 3.37Å; K390-Q394 PolarHBondContact O-N 3.12Å; K390-D423 VanDerWaalsContact NZ-C 3.32Å; K390-D423 PolarHBondContact NZ-O 2.65Å; K390-D423 IonicContact NZ-OD1 3.36Å; K390-D423 IonicContact NZ-OD2 3.06Å; K390-D423 PolarHBondContact NZ-OD2 3.39Å; K390-G424 PolarHBondContact NZ-O 3.48Å
391L97.4Very high97.7Very high25 Ų2547 Ų4713%0.13126%0.26CS..Hα-helixtrans-72.2-38.9176.2-65.6-172.1000110.9L368 E372 L387 P388 K389 Q394 V395L368-L391 HydrophobicContact CD1-CB 4.26Å; E372-L391 HydrophobicContact CG-CD1 3.91Å; L387-L391 HydrophobicContact CD2-CD1 4.18Å; P388-L391 HydrophobicContact CB-CG 4.44Å; P388-L391 HydrophobicContact CG-CD1 4.32Å; P388-L391 WeakPolarHBondContact O-CA 3.42Å; P388-L391 WeakPolarHBondContact O-CB 3.22Å; P388-L391 PolarHBondContact O-N 3.24Å; K389-L391 VanDerWaalsContact C-N 3.32Å; K389-L391 PolarHBondContact O-N 3.04Å; L391-Q394 WeakPolarHBondContact O-CA 3.34Å; L391-Q394 WeakPolarHBondContact O-CB 3.43Å; L391-Q394 PolarHBondContact O-N 2.93Å; L391-Q394 VanDerWaalsContact O-N 3.12Å; L391-V395 WeakPolarHBondContact O-CG2 3.46Å; L391-V395 PolarHBondContact O-N 2.99Å
392D97.8Very high97.7Very high14 Ų1446.5 Ų46.58%0.07525%0.249CC..Hα-helixtrans-60.6-45.1174.2-157.5-8.4000111.7V185 T186 P388 K389 Q394 V395 A396V185-D392 VanDerWaalsContact CB-OD2 3.26Å; V185-D392 WeakPolarHBondContact CB-OD2 3.44Å; V185-D392 PolarHBondContact N-OD1 3.26Å; V185-D392 PolarHBondContact N-OD2 3.02Å; T186-D392 VanDerWaalsContact CB-OD1 3.3Å; T186-D392 WeakPolarHBondContact CB-OD1 3.31Å; T186-D392 VanDerWaalsContact CG2-O 3.29Å; T186-D392 WeakPolarHBondContact CG2-O 3.42Å; T186-D392 VanDerWaalsContact CG2-OD1 3.27Å; T186-D392 WeakPolarHBondContact CG2-OD1 3.48Å; T186-D392 PolarHBondContact N-OD1 3.29Å; T186-D392 PolarHBondContact OG1-OD1 3.34Å; P388-D392 PolarHBondContact O-N 3.29Å; K389-D392 WeakPolarHBondContact O-CB 3.2Å; K389-D392 PolarHBondContact O-N 2.66Å; D392-Q394 VanDerWaalsContact C-N 3.32Å; D392-Q394 PolarHBondContact O-N 3.28Å; D392-V395 WeakPolarHBondContact O-CB 3.28Å; D392-V395 PolarHBondContact O-N 3.22Å; D392-A396 PolarHBondContact O-N 3.34Å
393E98.4Very high97.7Very high42 Ų4247.8 Ų47.820%0.19625%0.252CS..Hα-helixtrans-63.6-35.2172.4-72.4176.617500112.6K389 V395 A396 A397 P425 F426K389-E393 WeakPolarHBondContact O-CG 3.09Å; K389-E393 PolarHBondContact O-N 3.5Å; E393-V395 VanDerWaalsContact C-N 3.34Å; E393-A396 PolarHBondContact O-N 2.62Å; E393-A397 WeakPolarHBondContact O-CB 3.39Å; E393-A397 PolarHBondContact O-N 3.19Å; E393-P425 WeakPolarHBondContact OE1-CA 3.34Å; E393-P425 WeakPolarHBondContact OE2-CA 3.37Å; E393-F426 WeakPolarHBondContact OE1-CD2 3.48Å; E393-F426 PolarHBondContact OE1-N 2.88Å
394Q98Very high97.7Very high55 Ų5550.2 Ų50.226%0.25728%0.278SS..Hα-helixtrans-64.2-38.9174178.5-179-1.500111.5K390 L391 D392 A397 A398K390-Q394 WeakPolarHBondContact O-CB 3.37Å; K390-Q394 PolarHBondContact O-N 3.12Å; L391-Q394 WeakPolarHBondContact O-CA 3.34Å; L391-Q394 WeakPolarHBondContact O-CB 3.43Å; L391-Q394 PolarHBondContact O-N 2.93Å; L391-Q394 VanDerWaalsContact O-N 3.12Å; D392-Q394 VanDerWaalsContact C-N 3.32Å; D392-Q394 PolarHBondContact O-N 3.28Å; Q394-A397 PolarHBondContact O-N 3.44Å; Q394-A398 WeakPolarHBondContact O-CB 3.48Å; Q394-A398 PolarHBondContact O-N 3.36Å
395V98.6Very high97.7Very high0 Ų052.4 Ų52.40%029%0.291CS..Hα-helixtrans-57.8-53.5172.9177.40000109.4T186 N361 T364 L368 L391 D392 E393 A397 A398 H399T186-V395 HydrophobicContact CG2-CB 4.08Å; T186-V395 HydrophobicContact CG2-CG1 4.13Å; T186-V395 WeakPolarHBondContact OG1-CB 3.49Å; T186-V395 WeakPolarHBondContact OG1-CG1 3.37Å; N361-V395 HydrophobicContact CB-CG1 4.13Å; T364-V395 HydrophobicContact CG2-CB 4.45Å; T364-V395 HydrophobicContact CG2-CG1 4.32Å; T364-V395 HydrophobicContact CG2-CG2 3.79Å; L368-V395 HydrophobicContact CD1-CG2 3.68Å; L391-V395 WeakPolarHBondContact O-CG2 3.46Å; L391-V395 PolarHBondContact O-N 2.99Å; D392-V395 WeakPolarHBondContact O-CB 3.28Å; D392-V395 PolarHBondContact O-N 3.22Å; E393-V395 VanDerWaalsContact C-N 3.34Å; V395-A397 VanDerWaalsContact C-N 3.34Å; V395-A397 PolarHBondContact O-N 2.88Å; V395-A398 PolarHBondContact O-N 2.96Å; V395-H399 PolarHBondContact O-CE1 3.01Å; V395-H399 PolarHBondContact O-ND1 3.06Å
396A98.6Very high97.7Very high33 Ų3358.8 Ų58.827%0.27332%0.32SS..Hα-helixtrans-57.1-48.1179.900000111.6T186 D392 E393 A398 H399 L400T186-A396 HydrophobicContact CG2-CB 3.7Å; D392-A396 PolarHBondContact O-N 3.34Å; E393-A396 PolarHBondContact O-N 2.62Å; A396-A398 VanDerWaalsContact C-N 3.27Å; A396-A398 PolarHBondContact O-N 2.93Å; A396-H399 PolarHBondContact O-N 3.26Å; A396-H399 VanDerWaalsContact O-N 3.09Å; A396-L400 WeakPolarHBondContact O-CG 3.38Å
397A98.4Very high97.7Very high51 Ų5158.1 Ų58.142%0.42132%0.321SS..Hα-helixtrans-57.9-37.9-179.300000112.8E393 Q394 V395 H399 L400E393-A397 WeakPolarHBondContact O-CB 3.39Å; E393-A397 PolarHBondContact O-N 3.19Å; Q394-A397 PolarHBondContact O-N 3.44Å; V395-A397 VanDerWaalsContact C-N 3.34Å; V395-A397 PolarHBondContact O-N 2.88Å; A397-H399 PolarHBondContact O-N 3.49Å; A397-H399 VanDerWaalsContact O-N 3.17Å; A397-L400 PolarHBondContact O-N 3.14Å
398A98.4Very high97.9Very high22 Ų2263.5 Ų63.518%0.18235%0.354CS..Hα-helixtrans-66.5-13.9-179.800000114.2K34 Q394 V395 A396K34-A398 HydrophobicContact CB-CB 4.31Å; K34-A398 HydrophobicContact CG-CB 4.36Å; Q394-A398 WeakPolarHBondContact O-CB 3.48Å; Q394-A398 PolarHBondContact O-N 3.36Å; V395-A398 PolarHBondContact O-N 2.96Å; A396-A398 VanDerWaalsContact C-N 3.27Å; A396-A398 PolarHBondContact O-N 2.93Å
399H98.8Very high98Very high7 Ų767.9 Ų67.93%0.03237%0.368CS..Hα-helixtrans-102.8-14.4-179.3-63.278.4000113.4P30 G31 F357 S360 N361 V395 A396 A397 D401P30-H399 HydrophobicContact CG-CB 4.4Å; G31-H399 VanDerWaalsContact CA-CE1 3.5Å; G31-H399 WeakPolarHBondContact CA-CE1 3.36Å; G31-H399 PolarHBondContact N-NE2 3.44Å; F357-H399 HydrophobicContact CZ-CB 3.96Å; S360-H399 VanDerWaalsContact C-NE2 3.33Å; S360-H399 WeakPolarHBondContact CB-NE2 3.28Å; S360-H399 PolarHBondContact OG-NE2 3.34Å; N361-H399 PolarHBondContact N-NE2 2.9Å; N361-H399 PolarHBondContact OD1-CD2 2.9Å; N361-H399 PolarHBondContact OD1-CE1 3.1Å; N361-H399 VanDerWaalsContact OD1-CG 3.29Å; N361-H399 PolarHBondContact OD1-ND1 2.81Å; N361-H399 PolarHBondContact OD1-NE2 3.32Å; V395-H399 PolarHBondContact O-CE1 3.01Å; V395-H399 PolarHBondContact O-ND1 3.06Å; A396-H399 PolarHBondContact O-N 3.26Å; A396-H399 VanDerWaalsContact O-N 3.09Å; A397-H399 PolarHBondContact O-N 3.49Å; A397-H399 VanDerWaalsContact O-N 3.17Å; H399-D401 PolarHBondContact O-N 2.85Å
400L98.6Very high98.1Very high40 Ų4068.2 Ų68.221%0.20937%0.371CS..Hα-helixtrans-65.8-42-171.2-65.4-172.4000113.5A396 A397 K402 L403 G404 V405 L407A396-L400 WeakPolarHBondContact O-CG 3.38Å; A397-L400 PolarHBondContact O-N 3.14Å; L400-K402 VanDerWaalsContact C-N 3.3Å; L400-K402 PolarHBondContact O-N 2.87Å; L400-L403 PolarHBondContact O-N 2.86Å; L400-L403 VanDerWaalsContact O-N 3.09Å; L400-G404 PolarHBondContact O-N 3.38Å; L400-V405 HydrophobicContact CB-CB 4.01Å; L400-V405 HydrophobicContact CB-CG1 4.36Å; L400-V405 HydrophobicContact CD1-CG1 4.29Å; L400-V405 HydrophobicContact CD2-CB 4.14Å; L400-V405 HydrophobicContact CD2-CG1 4.02Å; L400-V405 HydrophobicContact CD2-CG2 4.44Å; L400-V405 HydrophobicContact CG-CG1 4.44Å; L400-V405 PolarHBondContact O-N 2.75Å; L400-L407 HydrophobicContact CD1-CB 4.1Å; L400-L407 HydrophobicContact CD1-CD1 4.2Å; L400-L407 HydrophobicContact CD1-CD2 4.08Å; L400-L407 HydrophobicContact CD1-CG 4.36Å
401D98Very high98.2Very high145 Ų14568.2 Ų68.278%0.77538%0.378SS*.G310 helixtrans-63.2-37.5-176-73.4-15000111.9H399 L403 G404H399-D401 PolarHBondContact O-N 2.85Å; D401-L403 PolarHBondContact O-N 3.03Å; D401-G404 PolarHBondContact O-N 3.36Å
402K98.1Very high98.2Very high76 Ų7672.2 Ų72.233%0.3340%0.399SS..G310 helixtrans-60.8-29.5177.4179.466.2-176.1-160.60112.3N27 E28 P30 F357 L400N27-K402 PolarHBondContact ND2-NZ 2.94Å; N27-K402 WeakPolarHBondContact O-CE 3.17Å; N27-K402 PolarHBondContact O-NZ 3.04Å; E28-K402 WeakPolarHBondContact OE1-CE 3.37Å; E28-K402 IonicContact OE1-NZ 3.88Å; E28-K402 PolarHBondContact OE1-NZ 3.29Å; P30-K402 HydrophobicContact CB-CB 4.21Å; P30-K402 HydrophobicContact CG-CB 3.9Å; P30-K402 HydrophobicContact CG-CG 4.19Å; F357-K402 HydrophobicContact CD2-CG 4.34Å; F357-K402 HydrophobicContact CE2-CB 4.18Å; F357-K402 HydrophobicContact CE2-CG 3.82Å; L400-K402 VanDerWaalsContact C-N 3.3Å; L400-K402 PolarHBondContact O-N 2.87Å
403L98.1Very high98.3Very high105 Ų10579.3 Ų79.355%0.5543%0.429SS..G310 helixtrans-94.50.9177.6-58-177.9000113.1F357 L400 D401 V405F357-L403 HydrophobicContact CE1-CD1 3.96Å; F357-L403 HydrophobicContact CE1-CD2 4.28Å; F357-L403 HydrophobicContact CE1-CG 4.35Å; F357-L403 HydrophobicContact CE2-CD2 3.91Å; F357-L403 HydrophobicContact CE2-CG 4.11Å; F357-L403 HydrophobicContact CZ-CD1 3.6Å; F357-L403 HydrophobicContact CZ-CD2 3.69Å; F357-L403 HydrophobicContact CZ-CG 3.59Å; L400-L403 PolarHBondContact O-N 2.86Å; L400-L403 VanDerWaalsContact O-N 3.09Å; D401-L403 PolarHBondContact O-N 3.03Å; L403-V405 HydrophobicContact CB-CG2 4Å; L403-V405 PolarHBondContact O-N 2.8Å
404G98.3Very high98.3Very high58 Ų5881.5 Ų81.560%0.59844%0.44SS*.THydrogen-bonded Turntrans68.719.6-175.900000114.2L400 D401 K406L400-G404 PolarHBondContact O-N 3.38Å; D401-G404 PolarHBondContact O-N 3.36Å; G404-K406 PolarHBondContact O-N 3.37Å
405V98.6Very high98.3Very high65 Ų6579.3 Ų79.339%0.39443%0.431SS..  trans-73.8127-179.71740000109.9L400 L403L400-V405 HydrophobicContact CB-CB 4.01Å; L400-V405 HydrophobicContact CB-CG1 4.36Å; L400-V405 HydrophobicContact CD1-CG1 4.29Å; L400-V405 HydrophobicContact CD2-CB 4.14Å; L400-V405 HydrophobicContact CD2-CG1 4.02Å; L400-V405 HydrophobicContact CD2-CG2 4.44Å; L400-V405 HydrophobicContact CG-CG1 4.44Å; L400-V405 PolarHBondContact O-N 2.75Å; L403-V405 HydrophobicContact CB-CG2 4Å; L403-V405 PolarHBondContact O-N 2.8Å
406K98.3Very high98.3Very high198 Ų19887.9 Ų87.986%0.86146%0.463SS*.  trans-100.7100.1176.9-63.6-179.3-177.2177.70110.2G404 T408G404-K406 PolarHBondContact O-N 3.37Å; K406-T408 PolarHBondContact O-N 3.05Å
407L98.2Very high98.2Very high100 Ų10095.9 Ų95.952%0.52449%0.488SS..PPolyproline II helixtrans-74.5123-177.4-167.766000111.4L400L400-L407 HydrophobicContact CD1-CB 4.1Å; L400-L407 HydrophobicContact CD1-CD1 4.2Å; L400-L407 HydrophobicContact CD1-CD2 4.08Å; L400-L407 HydrophobicContact CD1-CG 4.36Å
408T98.3Very high98.2Very high122 Ų12297.9 Ų97.975%0.74849%0.491SS*.PPolyproline II helixtrans-65.6141.4174.2-66.40000110.6K406K406-T408 PolarHBondContact O-N 3.05Å
409K97.9Very high98.2Very high151 Ų151100 Ų10066%0.65752%0.515SS*.PPolyproline II helixtrans-103.7136172.8-62.3-61.6-175.9179.70110.2T411K409-T411 PolarHBondContact O-N 2.84Å
410L97.3Very high98.1Very high48 Ų48102.4 Ų102.425%0.25153%0.527SS..PPolyproline II helixtrans-63.8134.9170.8-66.3174.5000109.1Q414 A415 L418 F426L410-Q414 HydrophobicContact CB-CB 4.38Å; L410-Q414 HydrophobicContact CD2-CB 3.87Å; L410-A415 HydrophobicContact CB-CB 4.43Å; L410-A415 HydrophobicContact CD1-CB 4.48Å; L410-L418 HydrophobicContact CD1-CD1 4.41Å; L410-L418 HydrophobicContact CD2-CD1 4.14Å; L410-F426 HydrophobicContact CD1-CD1 4.4Å; L410-F426 HydrophobicContact CD1-CE1 4.23Å
411T98.1Very high98Very high76 Ų76103.6 Ų103.647%0.46654%0.538SS..PPolyproline II helixtrans-70.9156.6160.662.30000109.6K409 K413 Q414 A415K409-T411 PolarHBondContact O-N 2.84Å; T411-K413 PolarHBondContact O-N 2.88Å; T411-K413 VanDerWaalsContact O-N 3.1Å; T411-Q414 PolarHBondContact O-N 3.16Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.48Å; T411-Q414 PolarHBondContact OG1-N 3.43Å; T411-Q414 PolarHBondContact OG1-OE1 2.96Å; T411-A415 PolarHBondContact O-N 3.32Å
412D98.1Very high97.9Very high109 Ų10999.5 Ų99.558%0.58352%0.52SS*.Hα-helixtrans-55.9-32.8176.6-58-14.4000112.7R416D412-R416 WeakPolarHBondContact O-CB 3.45Å; D412-R416 WeakPolarHBondContact O-CG 3.41Å; D412-R416 PolarHBondContact O-N 3.22Å
413K98.4Very high97.7Very high163 Ų163100.6 Ų100.671%0.70953%0.53SS*.Hα-helixtrans-63.5-43.4175.6-175.3-179.7177.5-177.40111.4T411 Y417T411-K413 PolarHBondContact O-N 2.88Å; T411-K413 VanDerWaalsContact O-N 3.1Å; K413-Y417 WeakPolarHBondContact O-CB 3.31Å; K413-Y417 PolarHBondContact O-N 3.44Å
414Q98.6Very high97.6Very high88 Ų8895.8 Ų95.841%0.41151%0.506SS..Hα-helixtrans-70.9-42.9178.3-69.6163.1-45.700111.7L410 T411 R416 Y417 L418L410-Q414 HydrophobicContact CB-CB 4.38Å; L410-Q414 HydrophobicContact CD2-CB 3.87Å; T411-Q414 PolarHBondContact O-N 3.16Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.48Å; T411-Q414 PolarHBondContact OG1-N 3.43Å; T411-Q414 PolarHBondContact OG1-OE1 2.96Å; Q414-R416 PolarHBondContact O-N 3.06Å; Q414-Y417 PolarHBondContact O-N 3.44Å; Q414-L418 WeakPolarHBondContact O-CG 3.27Å; Q414-L418 PolarHBondContact O-N 2.86Å
415A98.4Very high97.6Very high9 Ų995.7 Ų95.77%0.07449%0.494CS..Hα-helixtrans-57.7-47.317700000111.4L410 T411 Y417 L418 G419 L420L410-A415 HydrophobicContact CB-CB 4.43Å; L410-A415 HydrophobicContact CD1-CB 4.48Å; T411-A415 PolarHBondContact O-N 3.32Å; A415-Y417 PolarHBondContact O-N 3Å; A415-L418 PolarHBondContact O-N 3.29Å; A415-G419 PolarHBondContact O-N 2.89Å; A415-L420 WeakPolarHBondContact CB-O 3.47Å; A415-L420 PolarHBondContact O-N 3.2Å; A415-L420 VanDerWaalsContact O-N 3.08Å
416R98.2Very high97.5Very high180 Ų18095.8 Ų95.868%0.67949%0.49SS*.Hα-helixtrans-62.2-41.8173.9-74.9-169.3-62.1-88.90.4113.1D412 Q414 L418 G419D412-R416 WeakPolarHBondContact O-CB 3.45Å; D412-R416 WeakPolarHBondContact O-CG 3.41Å; D412-R416 PolarHBondContact O-N 3.22Å; Q414-R416 PolarHBondContact O-N 3.06Å; R416-L418 VanDerWaalsContact C-N 3.33Å; R416-L418 PolarHBondContact O-N 2.83Å; R416-G419 PolarHBondContact O-N 2.69Å
417Y98.3Very high97.5Very high200 Ų20090.5 Ų90.578%0.78447%0.467SS*.Hα-helixtrans-62.3-41.1178.7176.4-95.6000112.1K413 Q414 A415K413-Y417 WeakPolarHBondContact O-CB 3.31Å; K413-Y417 PolarHBondContact O-N 3.44Å; Q414-Y417 PolarHBondContact O-N 3.44Å; A415-Y417 PolarHBondContact O-N 3Å
418L97.9Very high97.4Very high94 Ų9488.9 Ų88.949%0.49246%0.462SS..Hα-helixtrans-81.3-15.2179.5-64.8173.9000113.3L410 Q414 A415 R416 L420L410-L418 HydrophobicContact CD1-CD1 4.41Å; L410-L418 HydrophobicContact CD2-CD1 4.14Å; Q414-L418 WeakPolarHBondContact O-CG 3.27Å; Q414-L418 PolarHBondContact O-N 2.86Å; A415-L418 PolarHBondContact O-N 3.29Å; R416-L418 VanDerWaalsContact C-N 3.33Å; R416-L418 PolarHBondContact O-N 2.83Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-L420 HydrophobicContact CB-CB 4.37Å; L418-L420 HydrophobicContact CB-CD1 3.96Å; L418-L420 HydrophobicContact CB-CG 3.98Å; L418-L420 HydrophobicContact CD1-CD1 4.27Å
419G97.5Very high97.3Very high66 Ų6689.8 Ų89.868%0.6846%0.463SS*.THydrogen-bonded Turntrans6732.9-172.400000113A415 R416A415-G419 PolarHBondContact O-N 2.89Å; R416-G419 PolarHBondContact O-N 2.69Å
420L96.6Very high97.2Very high57 Ų5790 Ų9030%0.29847%0.466SS..  trans-118.5148.5-177.3-63.1175.6000111.3A415 L418A415-L420 WeakPolarHBondContact CB-O 3.47Å; A415-L420 PolarHBondContact O-N 3.2Å; A415-L420 VanDerWaalsContact O-N 3.08Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-L420 HydrophobicContact CB-CB 4.37Å; L418-L420 HydrophobicContact CB-CD1 3.96Å; L418-L420 HydrophobicContact CB-CG 3.98Å; L418-L420 HydrophobicContact CD1-CD1 4.27Å
421P96.8Very high97.2Very high65 Ų6592.8 Ų92.842%0.42247%0.473SS..  trans-59.9143.7165.3-18.831.5000111.1D423 G424P421-D423 PolarHBondContact O-N 2.74Å; P421-G424 PolarHBondContact O-N 2.66Å
422S95Very high97.1Very high59 Ų5999.9 Ų99.941%0.41349%0.492SS..THydrogen-bonded Turntrans-64.8-22.9179.851.30000113.5
423D94.9Very high96.4Very high99 Ų9998.7 Ų98.753%0.52948%0.479SS..THydrogen-bonded Turntrans-107.34-179.768.7-40.9000113K390 P421 F426K390-D423 VanDerWaalsContact NZ-C 3.32Å; K390-D423 PolarHBondContact NZ-O 2.65Å; K390-D423 IonicContact NZ-OD1 3.36Å; K390-D423 IonicContact NZ-OD2 3.06Å; K390-D423 PolarHBondContact NZ-OD2 3.39Å; P421-D423 PolarHBondContact O-N 2.74Å; D423-F426 VanDerWaalsContact C-CZ 3.42Å
424G95.8Very high96.3Very high4 Ų495.5 Ų95.54%0.04147%0.468CS..SBendtrans85.4176.2179.100000114.6K390 P421K390-G424 PolarHBondContact NZ-O 3.48Å; P421-G424 PolarHBondContact O-N 2.66Å
425P97.4Very high96.2Very high56 Ų5695.8 Ų95.836%0.36447%0.471SS..  cis-67.8143.811.625-33.2000114.3K389 E393K389-P425 HydrophobicContact CB-CB 4.26Å; K389-P425 HydrophobicContact CD-CB 3.84Å; K389-P425 HydrophobicContact CG-CB 4.07Å; E393-P425 WeakPolarHBondContact OE1-CA 3.34Å; E393-P425 WeakPolarHBondContact OE2-CA 3.37Å
426F97.9Very high96.1Very high67 Ų67100.7 Ų100.729%0.29449%0.493SS..  trans-95.7-5.8-171-60.7-68.6000114.3E393 L410 D423E393-F426 WeakPolarHBondContact OE1-CD2 3.48Å; E393-F426 PolarHBondContact OE1-N 2.88Å; L410-F426 HydrophobicContact CD1-CD1 4.4Å; L410-F426 HydrophobicContact CD1-CE1 4.23Å; D423-F426 VanDerWaalsContact C-CZ 3.42Å
427K98.2Very high96Very high88 Ų8896 Ų9638%0.38348%0.482SS..SBendtrans-137.8148.2-175.8-63.4-64.9-176.4-61.10110.6K389 Y431K389-K427 HydrophobicContact CD-CB 4.43Å; K389-K427 WeakPolarHBondContact CD-O 3.25Å; K389-K427 WeakPolarHBondContact CE-O 3.35Å; K427-Y431 HydrophobicContact CB-CD1 3.49Å; K427-Y431 VanDerWaalsContact CB-CD1 3.49Å; K427-Y431 HydrophobicContact CB-CE1 4.19Å; K427-Y431 HydrophobicContact CB-CG 3.97Å; K427-Y431 HydrophobicContact CD-CD1 3.42Å; K427-Y431 VanDerWaalsContact CD-CD1 3.42Å; K427-Y431 HydrophobicContact CD-CD2 4.42Å; K427-Y431 HydrophobicContact CD-CE1 3.25Å; K427-Y431 HydrophobicContact CD-CE2 4.39Å; K427-Y431 HydrophobicContact CD-CG 4.02Å; K427-Y431 HydrophobicContact CG-CD1 3.31Å; K427-Y431 HydrophobicContact CG-CE1 3.48Å; K427-Y431 VanDerWaalsContact CG-CE1 3.48Å; K427-Y431 HydrophobicContact CG-CG 4.15Å
428P96.8Very high95.8Very high66 Ų6689.5 Ų89.543%0.42946%0.463SS..  trans-68.3164.4173.330.8-34.9000111.1K389 H430 Y431K389-P428 VanDerWaalsContact CE-O 3.31Å; K389-P428 WeakPolarHBondContact CE-O 3.09Å; K389-P428 PolarHBondContact NZ-O 3.47Å; P428-H430 VanDerWaalsContact C-N 3.33Å; P428-H430 PolarHBondContact O-N 2.81Å; P428-Y431 VanDerWaalsContact O-CB 3.24Å; P428-Y431 WeakPolarHBondContact O-CB 3.37Å; P428-Y431 PolarHBondContact O-N 2.89Å
429D95.4Very high95.7Very high141 Ų14189.2 Ų89.275%0.75446%0.461SS*.THydrogen-bonded Turntrans-63.3-36.5-174.4-67.2-25.3000113.6K389 Y431K389-D429 VanDerWaalsContact CE-OD1 3.28Å; K389-D429 WeakPolarHBondContact CE-OD1 3.37Å; D429-Y431 PolarHBondContact O-N 3.16Å
430H95.8Very high95.6Very high156 Ų15690.9 Ų90.972%0.72245%0.446SS*.THydrogen-bonded Turntrans-78.32.2-179.664.7-96.4000114.4P428P428-H430 VanDerWaalsContact C-N 3.33Å; P428-H430 PolarHBondContact O-N 2.81Å
431Y97.8Very high95.5Very high105 Ų10593.5 Ų93.541%0.41246%0.457SS..  trans-70.8131.9-179.2-169.9-122.6000110.5K427 P428 D429 Y433K427-Y431 HydrophobicContact CB-CD1 3.49Å; K427-Y431 VanDerWaalsContact CB-CD1 3.49Å; K427-Y431 HydrophobicContact CB-CE1 4.19Å; K427-Y431 HydrophobicContact CB-CG 3.97Å; K427-Y431 HydrophobicContact CD-CD1 3.42Å; K427-Y431 VanDerWaalsContact CD-CD1 3.42Å; K427-Y431 HydrophobicContact CD-CD2 4.42Å; K427-Y431 HydrophobicContact CD-CE1 3.25Å; K427-Y431 HydrophobicContact CD-CE2 4.39Å; K427-Y431 HydrophobicContact CD-CG 4.02Å; K427-Y431 HydrophobicContact CG-CD1 3.31Å; K427-Y431 HydrophobicContact CG-CE1 3.48Å; K427-Y431 VanDerWaalsContact CG-CE1 3.48Å; K427-Y431 HydrophobicContact CG-CG 4.15Å; P428-Y431 VanDerWaalsContact O-CB 3.24Å; P428-Y431 WeakPolarHBondContact O-CB 3.37Å; P428-Y431 PolarHBondContact O-N 2.89Å; D429-Y431 PolarHBondContact O-N 3.16Å; Y431-Y433 VanDerWaalsContact C-N 3.29Å; Y431-Y433 WeakPolarHBondContact CD1-O 3.18Å; Y431-Y433 WeakPolarHBondContact CD1-OXT 3.46Å; Y431-Y433 WeakPolarHBondContact CE1-O 3.28Å; Y431-Y433 WeakPolarHBondContact CE1-OXT 3.47Å; Y431-Y433 PolarHBondContact O-N 3.02Å; Y431-Y433 VanDerWaalsContact O-N 3.13Å; Y431-Y433 PolarHBondContact OH-O 3.44Å; Y431-Y433 VanDerWaalsContact OH-O 3.04Å
432R95.9Very high95.4Very high225 Ų22595.8 Ų95.885%0.84946%0.46SS*.  trans-89.768.4-179.6-60-174.7-177.691.1-0.5109.3
433Y83.6Confident95.4Very high84 Ų8499.2 Ų99.233%0.32946%0.464SS..  trans850-177.6-58.4-93.7000116.7V185 S188 K189 Y431V185-Y433 HydrophobicContact CB-CD1 3.65Å; V185-Y433 HydrophobicContact CB-CE1 3.58Å; V185-Y433 HydrophobicContact CG1-CD1 3.1Å; V185-Y433 HydrophobicContact CG1-CE1 3.55Å; V185-Y433 HydrophobicContact CG1-CG 4.1Å; V185-Y433 HydrophobicContact CG2-CD1 3.69Å; V185-Y433 HydrophobicContact CG2-CE1 3.67Å; V185-Y433 HydrophobicContact CG2-CG 4.27Å; V185-Y433 VanDerWaalsContact O-CE1 3.22Å; V185-Y433 WeakPolarHBondContact O-CE1 3.3Å; S188-Y433 VanDerWaalsContact CB-OH 3.26Å; S188-Y433 WeakPolarHBondContact CB-OH 3.05Å; S188-Y433 PolarHBondContact OG-OH 3.46Å; K189-Y433 HydrophobicContact CB-CD1 3.38Å; K189-Y433 HydrophobicContact CB-CD2 4.45Å; K189-Y433 HydrophobicContact CB-CE1 3.13Å; K189-Y433 HydrophobicContact CB-CE2 4.32Å; K189-Y433 HydrophobicContact CB-CG 4.1Å; K189-Y433 HydrophobicContact CD-CD1 4.23Å; K189-Y433 HydrophobicContact CD-CD2 3.79Å; K189-Y433 HydrophobicContact CD-CE1 3.68Å; K189-Y433 HydrophobicContact CD-CE2 3.27Å; K189-Y433 HydrophobicContact CD-CG 4.32Å; K189-Y433 VanDerWaalsContact CD-OH 3.31Å; K189-Y433 WeakPolarHBondContact CD-OH 3.48Å; K189-Y433 VanDerWaalsContact CE-CD2 3.41Å; K189-Y433 HydrophobicContact CG-CD1 3.37Å; K189-Y433 HydrophobicContact CG-CD2 3.52Å; K189-Y433 HydrophobicContact CG-CE1 3.24Å; K189-Y433 HydrophobicContact CG-CE2 3.47Å; K189-Y433 VanDerWaalsContact CG-CE2 3.47Å; K189-Y433 HydrophobicContact CG-CG 3.56Å; Y431-Y433 VanDerWaalsContact C-N 3.29Å; Y431-Y433 WeakPolarHBondContact CD1-O 3.18Å; Y431-Y433 WeakPolarHBondContact CD1-OXT 3.46Å; Y431-Y433 WeakPolarHBondContact CE1-O 3.28Å; Y431-Y433 WeakPolarHBondContact CE1-OXT 3.47Å; Y431-Y433 PolarHBondContact O-N 3.02Å; Y431-Y433 VanDerWaalsContact O-N 3.13Å; Y431-Y433 PolarHBondContact OH-O 3.44Å; Y431-Y433 VanDerWaalsContact OH-O 3.04Å

Retrieved 433 of 433 residues in 670.8 ms (Link to these results)

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