A0A077ZDX1_TRITR Loading...

Rhodanese domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 495 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
1M68.3Low94Very high133 Ų13337.1 Ų37.166%0.65518%0.176SC*.  0128.10-76.6178.6-171.700106.8K52 E77 S78 E79M1-K52 WeakPolarHBondContact O-CE 3.48Å; M1-K52 PolarHBondContact O-NZ 3.47Å; M1-E77 HydrophobicContact CB-CB 4.41Å; M1-E77 HydrophobicContact SD-CB 4.06Å; M1-S78 WeakPolarHBondContact CB-O 3.16Å; M1-E79 HydrophobicContact CE-CG 3.71Å; M1-E79 HydrophobicContact CG-CG 4.29Å; M1-E79 HydrophobicContact SD-CG 4.2Å
2D91.4Very high94.2Very high91 Ų9135.8 Ų35.849%0.48717%0.172SC..  trans-95-12.4-174.5-161.835.2000112.6T51 K52D2-T51 CarbonylContact O-C 3.58Å; D2-T51 VanDerWaalsContact O-CA 3.27Å; D2-T51 WeakPolarHBondContact O-CA 3.28Å; D2-K52 PolarHBondContact O-N 2.7Å
3Y96.6Very high94.3Very high55 Ų5539.3 Ų39.322%0.21620%0.197CC..EExtended strand (participates in β ladder)trans-105.1153.1178-76.2-104.8000111G50 T51 S78 H81Y3-G50 VanDerWaalsContact CA-O 3.28Å; Y3-G50 WeakPolarHBondContact CA-O 3.45Å; Y3-G50 WeakPolarHBondContact CD1-O 3.45Å; Y3-T51 HydrophobicContact CE1-CG2 4.03Å; Y3-T51 HydrophobicContact CE2-CG2 4.11Å; Y3-S78 CarbonylContact C-O 3.56Å; Y3-S78 WeakPolarHBondContact CB-O 3.2Å; Y3-S78 PolarHBondContact N-O 3.29Å; Y3-S78 PolarHBondContact O-N 2.9Å; Y3-H81 AromaticContact CE1-CD2 3.61Å; Y3-H81 AromaticContact CE1-CE1 3.87Å; Y3-H81 AromaticContact CE1-CG 4Å; Y3-H81 AromaticContact CE1-NE2 3.56Å
4R96.4Very high94.5Very high19 Ų1936.7 Ų36.77%0.07218%0.184CC..EExtended strand (participates in β ladder)trans-138.5155.9168.968.5-179-165.9-149.7-5.7111.7L6 S49 G50 T55 D56 D76R4-L6 HydrophobicContact CG-CD2 4.37Å; R4-S49 VanDerWaalsContact O-CA 3.25Å; R4-S49 WeakPolarHBondContact O-CA 3.41Å; R4-G50 PolarHBondContact N-O 3.28Å; R4-G50 PolarHBondContact O-N 3.49Å; R4-T55 WeakPolarHBondContact CD-OG1 3.47Å; R4-T55 HydrophobicContact CG-CG2 4.04Å; R4-T55 VanDerWaalsContact CG-OG1 3.23Å; R4-T55 WeakPolarHBondContact CG-OG1 3.35Å; R4-T55 VanDerWaalsContact NE-CB 3.31Å; R4-T55 PolarHBondContact NE-OG1 2.95Å; R4-T55 PolarHBondContact NH2-O 3.01Å; R4-T55 VanDerWaalsContact NH2-O 3.1Å; R4-T55 PolarHBondContact NH2-OG1 3.04Å; R4-D56 IonicContact CZ-OD1 3.71Å; R4-D56 IonicContact NH1-OD1 2.73Å; R4-D56 PolarHBondContact NH1-OD1 3.46Å; R4-D56 IonicContact NH1-OD2 2.93Å; R4-D56 VanDerWaalsContact NH2-CA 3.3Å; R4-D56 IonicContact NH2-OD1 2.78Å; R4-D56 PolarHBondContact NH2-OD1 2.82Å; R4-D76 CarbonylContact C-O 3.17Å; R4-D76 WeakPolarHBondContact CA-O 3.14Å; R4-D76 VanDerWaalsContact CB-O 3.28Å; R4-D76 WeakPolarHBondContact CB-O 3.49Å
5V97.2Very high94.6Very high1 Ų146.9 Ų46.91%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-104.1129.2172.7-172.70000108.5T47 L48 M75 D76 A82V5-T47 HydrophobicContact CG1-CG2 3.9Å; V5-L48 CarbonylContact C-O 3.51Å; V5-L48 WeakPolarHBondContact CA-O 3.32Å; V5-L48 VanDerWaalsContact CG1-O 3.32Å; V5-L48 WeakPolarHBondContact CG1-O 3.28Å; V5-M75 CarbonylContact O-C 3.53Å; V5-M75 WeakPolarHBondContact O-CA 3.28Å; V5-D76 HydrophobicContact CB-CB 4.27Å; V5-D76 PolarHBondContact N-O 3.49Å; V5-D76 PolarHBondContact O-N 3.12Å; V5-A82 HydrophobicContact CG2-CB 3.7Å
6L97.8Very high94.7Very high0 Ų049.4 Ų49.40%025%0.246CC..EExtended strand (participates in β ladder)trans-101.5133.2170.4-54.6-171.4000109.3R4 Y8 T47 L48 T55 Y58 M59 F73 K74 M75R4-L6 HydrophobicContact CG-CD2 4.37Å; L6-Y8 HydrophobicContact CB-CD1 4.43Å; L6-T47 CarbonylContact O-C 3.37Å; L6-T47 VanDerWaalsContact O-CA 3.26Å; L6-T47 WeakPolarHBondContact O-CA 3.48Å; L6-L48 HydrophobicContact CB-CD1 3.88Å; L6-L48 HydrophobicContact CB-CG 4.08Å; L6-L48 HydrophobicContact CD1-CD1 3.83Å; L6-L48 HydrophobicContact CG-CD1 3.81Å; L6-L48 PolarHBondContact N-O 3.45Å; L6-L48 PolarHBondContact O-N 2.84Å; L6-T55 HydrophobicContact CD1-CG2 4.32Å; L6-T55 HydrophobicContact CG-CG2 4.24Å; L6-Y58 HydrophobicContact CD1-CD1 3.99Å; L6-M59 HydrophobicContact CD1-CG 3.69Å; L6-M59 HydrophobicContact CD1-SD 3.98Å; L6-M59 HydrophobicContact CD2-SD 4.04Å; L6-F73 HydrophobicContact CB-CD1 4.4Å; L6-F73 HydrophobicContact CD1-CD1 4.05Å; L6-F73 HydrophobicContact CD1-CE1 4.43Å; L6-K74 CarbonylContact C-O 3.6Å; L6-K74 WeakPolarHBondContact CA-O 3.24Å; L6-M75 HydrophobicContact CD2-CB 4.43Å; L6-M75 HydrophobicContact CD2-CG 3.6Å; L6-M75 HydrophobicContact CD2-SD 4.49Å
7L97.3Very high94.9Very high32 Ų3247.6 Ų47.617%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-122124.3168.8171.567.8000108.5T47 K74 A206L7-T47 HydrophobicContact CD1-CG2 4.4Å; L7-T47 VanDerWaalsContact CD1-OG1 3.27Å; L7-T47 WeakPolarHBondContact CD1-OG1 3.2Å; L7-K74 HydrophobicContact CB-CB 4.22Å; L7-K74 HydrophobicContact CD2-CD 4.19Å; L7-K74 HydrophobicContact CG-CD 4.41Å; L7-K74 PolarHBondContact N-O 3.38Å; L7-K74 WeakPolarHBondContact O-CB 3.33Å; L7-K74 PolarHBondContact O-N 3.16Å; L7-A206 HydrophobicContact CD2-CB 4.23Å
8Y98.1Very high95Very high0 Ų052.9 Ų52.90%026%0.262CS..EExtended strand (participates in β ladder)trans-157.1160.1-177.168.1-82.3000111.4L6 I44 N45 G46 L48 Y58 M62 T71 F73L6-Y8 HydrophobicContact CB-CD1 4.43Å; Y8-I44 HydrophobicContact CE2-CD1 4.2Å; Y8-I44 HydrophobicContact CE2-CG1 4.27Å; Y8-I44 HydrophobicContact CE2-CG2 4.21Å; Y8-N45 PolarHBondContact O-OD1 2.84Å; Y8-G46 PolarHBondContact N-O 2.73Å; Y8-G46 PolarHBondContact O-N 3.14Å; Y8-L48 HydrophobicContact CE1-CD2 3.88Å; Y8-L48 HydrophobicContact CE1-CG 4.41Å; Y8-Y58 HydrophobicContact CE1-CE1 4.06Å; Y8-Y58 PolarHBondContact OH-OH 3Å; Y8-M62 HydrophobicContact CE2-CE 4Å; Y8-T71 HydrophobicContact CD2-CG2 3.62Å; Y8-T71 HydrophobicContact CG-CG2 4.01Å; Y8-F73 AromaticContact CD1-CD1 3.63Å; Y8-F73 HydrophobicContact CD1-CD1 3.63Å; Y8-F73 AromaticContact CD1-CE1 3.5Å; Y8-F73 HydrophobicContact CD1-CE1 3.5Å; Y8-F73 VanDerWaalsContact CD1-CE1 3.5Å; Y8-F73 HydrophobicContact CD2-CD1 4.47Å; Y8-F73 AromaticContact CD2-CE1 3.87Å; Y8-F73 HydrophobicContact CD2-CE1 3.87Å; Y8-F73 HydrophobicContact CE1-CD1 4.48Å; Y8-F73 AromaticContact CE1-CE1 4Å; Y8-F73 HydrophobicContact CE1-CE1 4Å; Y8-F73 HydrophobicContact CE2-CE1 4.34Å; Y8-F73 AromaticContact CG-CD1 3.64Å; Y8-F73 HydrophobicContact CG-CD1 3.64Å; Y8-F73 AromaticContact CG-CE1 3.45Å; Y8-F73 HydrophobicContact CG-CE1 3.45Å; Y8-F73 VanDerWaalsContact CG-CE1 3.45Å; Y8-F73 HydrophobicContact CG-CZ 4.43Å
9Y97.6Very high95.2Very high34 Ų3452.1 Ų52.113%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-146.7159.1165.165.3-84.1000108.7Y11 I44 G179 I181 E184Y9-Y11 AromaticContact CD2-CD2 3.87Å; Y9-Y11 HydrophobicContact CD2-CD2 3.87Å; Y9-Y11 AromaticContact CD2-CE2 3.74Å; Y9-Y11 HydrophobicContact CD2-CE2 3.74Å; Y9-Y11 HydrophobicContact CE2-CD2 4.02Å; Y9-Y11 AromaticContact CE2-CE2 3.89Å; Y9-Y11 HydrophobicContact CE2-CE2 3.89Å; Y9-I44 CarbonylContact C-O 3.48Å; Y9-I44 WeakPolarHBondContact CA-O 3.28Å; Y9-G179 WeakPolarHBondContact CE1-O 3.18Å; Y9-I181 HydrophobicContact CD1-CB 3.76Å; Y9-I181 HydrophobicContact CD1-CG1 4.39Å; Y9-I181 HydrophobicContact CD2-CB 4.2Å; Y9-I181 HydrophobicContact CD2-CD1 4.42Å; Y9-I181 HydrophobicContact CD2-CG1 4.03Å; Y9-I181 HydrophobicContact CE1-CB 4.12Å; Y9-I181 HydrophobicContact CG-CB 3.81Å; Y9-I181 HydrophobicContact CG-CD1 4.03Å; Y9-I181 HydrophobicContact CG-CG1 3.91Å; Y9-E184 HydrophobicContact CE2-CG 3.75Å; Y9-E184 WeakPolarHBondContact CE2-OE1 3.34Å; Y9-E184 PolarHBondContact OH-OE1 2.99Å
10N97Very high95.3Very high20 Ų2050.4 Ų50.411%0.10726%0.255CS..EExtended strand (participates in β ladder)trans-149.8122.2172.8-171.2-47.5000108.7G43 I44 F68 T71N10-G43 WeakPolarHBondContact O-CA 3.45Å; N10-I44 HydrophobicContact CB-CG2 4.02Å; N10-I44 PolarHBondContact N-O 3.12Å; N10-I44 PolarHBondContact O-N 2.74Å; N10-F68 HydrophobicContact CB-CD1 4.27Å; N10-T71 PolarHBondContact ND2-OG1 3.3Å
11Y96.6Very high95.4Very high23 Ų2348.1 Ų48.19%0.0925%0.245CC..EExtended strand (participates in β ladder)trans-85.5112.1172.5-74.5-79.5000109.5Y9 E42 L94 P105 R106 I181 E184Y9-Y11 AromaticContact CD2-CD2 3.87Å; Y9-Y11 HydrophobicContact CD2-CD2 3.87Å; Y9-Y11 AromaticContact CD2-CE2 3.74Å; Y9-Y11 HydrophobicContact CD2-CE2 3.74Å; Y9-Y11 HydrophobicContact CE2-CD2 4.02Å; Y9-Y11 AromaticContact CE2-CE2 3.89Å; Y9-Y11 HydrophobicContact CE2-CE2 3.89Å; Y11-E42 CarbonylContact C-O 3.59Å; Y11-E42 VanDerWaalsContact CA-O 3.24Å; Y11-E42 WeakPolarHBondContact CA-O 3.3Å; Y11-E42 HydrophobicContact CD1-CB 4.34Å; Y11-E42 HydrophobicContact CD1-CG 4.35Å; Y11-E42 HydrophobicContact CE1-CG 4.28Å; Y11-L94 HydrophobicContact CD1-CD1 4.24Å; Y11-L94 HydrophobicContact CE1-CD1 4.03Å; Y11-P105 HydrophobicContact CD1-CG 4.02Å; Y11-P105 HydrophobicContact CD2-CB 4.17Å; Y11-P105 HydrophobicContact CD2-CG 4.14Å; Y11-P105 HydrophobicContact CE1-CG 3.8Å; Y11-P105 HydrophobicContact CE2-CB 4.28Å; Y11-P105 HydrophobicContact CE2-CG 3.95Å; Y11-P105 HydrophobicContact CG-CB 4.4Å; Y11-P105 HydrophobicContact CG-CG 4.18Å; Y11-R106 WeakPolarHBondContact O-CD 3.43Å; Y11-I181 HydrophobicContact CE2-CG1 4.07Å; Y11-I181 WeakPolarHBondContact OH-CG1 2.75Å; Y11-I181 PolarHBondContact OH-O 3.21Å; Y11-E184 HydrophobicContact CE2-CB 3.72Å; Y11-E184 HydrophobicContact CE2-CG 3.9Å
12T96.2Very high96.8Very high22 Ų2249.6 Ų49.614%0.13525%0.247CC..  trans-155.2159.2-177.2-168.30000109.5I14 E42 G43 R67 F68T12-I14 HydrophobicContact CG2-CG1 4.2Å; T12-I14 PolarHBondContact O-N 3.09Å; T12-E42 PolarHBondContact N-O 3.06Å; T12-E42 CarbonylContact O-C 3.43Å; T12-G43 VanDerWaalsContact O-CA 3.24Å; T12-G43 WeakPolarHBondContact O-CA 3.35Å; T12-G43 PolarHBondContact O-N 3.2Å; T12-R67 WeakPolarHBondContact CB-O 3.07Å; T12-R67 HydrophobicContact CG2-CB 4.19Å; T12-R67 WeakPolarHBondContact CG2-O 3.44Å; T12-R67 PolarHBondContact OG1-O 2.84Å; T12-F68 HydrophobicContact CG2-CD1 3.9Å; T12-F68 HydrophobicContact CG2-CE1 3.54Å; T12-F68 HydrophobicContact CG2-CZ 4.47Å
13T96.1Very high97.1Very high81 Ų8151.8 Ų51.850%0.49726%0.255SS..  trans-79.4122.1179.8-56.40000110.1P41 R106T13-P41 WeakPolarHBondContact CA-O 3.42Å; T13-R106 PolarHBondContact OG1-NH1 3.43Å
14I96.9Very high97.1Very high3 Ų349.8 Ų49.82%0.01525%0.247CC..  trans-115.6110.6170.9-57.8-177.6000108.4T12 P17 F20 V39 P41 G43 F68T12-I14 HydrophobicContact CG2-CG1 4.2Å; T12-I14 PolarHBondContact O-N 3.09Å; I14-P17 HydrophobicContact CG2-CG 4.32Å; I14-F20 HydrophobicContact CD1-CD1 4.37Å; I14-F20 HydrophobicContact CD1-CE1 4.5Å; I14-F20 HydrophobicContact CG2-CB 4.01Å; I14-F20 HydrophobicContact CG2-CG 4.26Å; I14-V39 HydrophobicContact CD1-CG1 3.7Å; I14-V39 HydrophobicContact CG2-CG1 4.29Å; I14-P41 PolarHBondContact N-O 3.1Å; I14-P41 WeakPolarHBondContact O-CA 3.23Å; I14-G43 VanDerWaalsContact CD1-O 3.29Å; I14-G43 WeakPolarHBondContact CD1-O 3.18Å; I14-F68 HydrophobicContact CD1-CE1 4.14Å; I14-F68 HydrophobicContact CD1-CZ 3.96Å
15E95.7Very high97.2Very high190 Ų19050.4 Ų50.489%0.88825%0.252SS*.SBendtrans-65.8-42.6-174.6-62.8-177.416800113
16D96.8Very high97.2Very high87 Ų8753.1 Ų53.147%0.46527%0.274SS..  trans-125.686.9178.1-171-18.8000110.7E18 A19 F20D16-E18 PolarHBondContact O-N 2.9Å; D16-E18 PolarHBondContact OD1-N 3.48Å; D16-E18 VanDerWaalsContact OD1-N 3.11Å; D16-A19 HydrophobicContact CB-CB 4.06Å; D16-A19 PolarHBondContact OD1-N 3.47Å; D16-A19 WeakPolarHBondContact OD2-CB 3.44Å; D16-F20 WeakPolarHBondContact O-CB 3.5Å; D16-F20 PolarHBondContact O-N 3.32Å
17P97.2Very high97.2Very high18 Ų1855.6 Ų55.612%0.11729%0.285CS..Hα-helixtrans-61.3-27.2178-25.535.5000113.8I14 A21 V39 P41 P90I14-P17 HydrophobicContact CG2-CG 4.32Å; P17-A21 WeakPolarHBondContact O-CB 3.19Å; P17-A21 PolarHBondContact O-N 2.95Å; P17-V39 HydrophobicContact CB-CG1 3.92Å; P17-P41 HydrophobicContact CG-CB 4.4Å; P17-P41 HydrophobicContact CG-CG 3.85Å; P17-P90 HydrophobicContact CB-CB 4.39Å
18E97.5Very high97.2Very high144 Ų14454 Ų5467%0.67328%0.277SS*.Hα-helixtrans-74.9-48.6-178.7-63.2-168170.500111.1D16 A21 K22 P90D16-E18 PolarHBondContact O-N 2.9Å; D16-E18 PolarHBondContact OD1-N 3.48Å; D16-E18 VanDerWaalsContact OD1-N 3.11Å; E18-A21 PolarHBondContact O-N 3.47Å; E18-K22 PolarHBondContact O-N 3.23Å; E18-K22 VanDerWaalsContact O-N 3.12Å; E18-P90 HydrophobicContact CG-CB 4.04Å; E18-P90 HydrophobicContact CG-CG 4.11Å
19A97.7Very high97.2Very high37 Ų3761.9 Ų61.931%0.30631%0.307SS..Hα-helixtrans-61.1-47.6174.100000110.8D16 A21 K22 E23D16-A19 HydrophobicContact CB-CB 4.06Å; D16-A19 PolarHBondContact OD1-N 3.47Å; D16-A19 WeakPolarHBondContact OD2-CB 3.44Å; A19-A21 PolarHBondContact O-N 3.47Å; A19-K22 WeakPolarHBondContact O-CB 3.32Å; A19-K22 PolarHBondContact O-N 3.01Å; A19-K22 VanDerWaalsContact O-N 3.15Å; A19-E23 PolarHBondContact O-N 2.69Å
20F97.8Very high97.1Very high17 Ų1766.2 Ų66.28%0.07533%0.332CS..Hα-helixtrans-59.1-46.8177.6-176.4-88.2000111.5I14 D16 K22 E23 H24 V39 I44 F68I14-F20 HydrophobicContact CD1-CD1 4.37Å; I14-F20 HydrophobicContact CD1-CE1 4.5Å; I14-F20 HydrophobicContact CG2-CB 4.01Å; I14-F20 HydrophobicContact CG2-CG 4.26Å; D16-F20 WeakPolarHBondContact O-CB 3.5Å; D16-F20 PolarHBondContact O-N 3.32Å; F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 3.33Å; F20-E23 PolarHBondContact O-N 3.2Å; F20-H24 HydrophobicContact CD1-CB 4.29Å; F20-H24 HydrophobicContact CE1-CB 3.99Å; F20-H24 AromaticContact CE1-CG 3.93Å; F20-H24 AromaticContact CE1-ND1 3.9Å; F20-H24 HydrophobicContact CZ-CB 4.41Å; F20-H24 AromaticContact CZ-ND1 3.67Å; F20-H24 WeakPolarHBondContact O-CB 3.38Å; F20-H24 PolarHBondContact O-N 3.11Å; F20-V39 HydrophobicContact CB-CG1 4.37Å; F20-V39 HydrophobicContact CD1-CB 4.3Å; F20-V39 HydrophobicContact CD1-CG1 3.5Å; F20-V39 VanDerWaalsContact CD1-CG1 3.5Å; F20-V39 HydrophobicContact CD1-CG2 3.8Å; F20-V39 HydrophobicContact CE1-CG1 4.22Å; F20-V39 HydrophobicContact CE1-CG2 4.06Å; F20-V39 HydrophobicContact CG-CG1 4.28Å; F20-I44 HydrophobicContact CE1-CD1 3.96Å; F20-I44 HydrophobicContact CZ-CD1 4.4Å; F20-F68 HydrophobicContact CE1-CE2 4.49Å; F20-F68 HydrophobicContact CE1-CZ 4.15Å; F20-F68 AromaticContact CE2-CE2 3.6Å; F20-F68 HydrophobicContact CE2-CE2 3.6Å; F20-F68 AromaticContact CE2-CZ 3.8Å; F20-F68 HydrophobicContact CE2-CZ 3.8Å; F20-F68 AromaticContact CZ-CE2 3.41Å; F20-F68 HydrophobicContact CZ-CE2 3.41Å; F20-F68 VanDerWaalsContact CZ-CE2 3.41Å; F20-F68 AromaticContact CZ-CZ 3.44Å; F20-F68 HydrophobicContact CZ-CZ 3.44Å; F20-F68 VanDerWaalsContact CZ-CZ 3.44Å
21A97.7Very high97.1Very high4 Ų465.8 Ų65.83%0.03333%0.33CS..Hα-helixtrans-59.6-36.3178.500000112.7P17 E18 A19 L25 V39 V88 P90P17-A21 WeakPolarHBondContact O-CB 3.19Å; P17-A21 PolarHBondContact O-N 2.95Å; E18-A21 PolarHBondContact O-N 3.47Å; A19-A21 PolarHBondContact O-N 3.47Å; A21-L25 WeakPolarHBondContact O-CB 3.47Å; A21-L25 PolarHBondContact O-N 3.38Å; A21-V39 HydrophobicContact CB-CB 4.34Å; A21-V39 HydrophobicContact CB-CG2 4.12Å; A21-V88 HydrophobicContact CB-CG1 3.95Å; A21-V88 WeakPolarHBondContact O-CG1 3.21Å; A21-P90 HydrophobicContact CB-CB 4.48Å
22K97.6Very high97.1Very high164 Ų16469.3 Ų69.371%0.71335%0.35SS*.Hα-helixtrans-69.4-46178.1-176-177.9176.5-1750112.2E18 A19 F20 L25 A26E18-K22 PolarHBondContact O-N 3.23Å; E18-K22 VanDerWaalsContact O-N 3.12Å; A19-K22 WeakPolarHBondContact O-CB 3.32Å; A19-K22 PolarHBondContact O-N 3.01Å; A19-K22 VanDerWaalsContact O-N 3.15Å; F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 3.33Å; K22-L25 PolarHBondContact O-N 3.33Å; K22-A26 PolarHBondContact O-N 3.33Å
23E97.1Very high97.2Very high137 Ų13768.5 Ų68.564%0.6435%0.345SS*.Hα-helixtrans-64.1-46.1176.8-69.9176.1-176.800110.9A19 F20 L25 A26 F27A19-E23 PolarHBondContact O-N 2.69Å; F20-E23 PolarHBondContact O-N 3.2Å; E23-L25 VanDerWaalsContact C-N 3.31Å; E23-L25 PolarHBondContact O-N 3.24Å; E23-A26 WeakPolarHBondContact O-CB 3.26Å; E23-A26 PolarHBondContact O-N 3.47Å; E23-A26 VanDerWaalsContact O-N 3.09Å; E23-F27 PolarHBondContact O-N 3.29Å
24H97.6Very high97.3Very high12 Ų1267.7 Ų67.76%0.05634%0.335CS..Hα-helixtrans-64.5-35.5179.8-155.977.4000112.4F20 F27 C28 Y58 M62 V88F20-H24 HydrophobicContact CD1-CB 4.29Å; F20-H24 HydrophobicContact CE1-CB 3.99Å; F20-H24 AromaticContact CE1-CG 3.93Å; F20-H24 AromaticContact CE1-ND1 3.9Å; F20-H24 HydrophobicContact CZ-CB 4.41Å; F20-H24 AromaticContact CZ-ND1 3.67Å; F20-H24 WeakPolarHBondContact O-CB 3.38Å; F20-H24 PolarHBondContact O-N 3.11Å; H24-F27 PolarHBondContact O-N 2.98Å; H24-C28 WeakPolarHBondContact O-CB 3.36Å; H24-C28 PolarHBondContact O-N 2.89Å; H24-C28 PolarHBondContact O-SG 2.92Å; H24-Y58 AromaticContact CE1-CE2 3.86Å; H24-Y58 AromaticContact CE1-CZ 3.99Å; H24-Y58 PolarHBondContact CE1-OH 3.33Å; H24-Y58 AromaticContact NE2-CE2 3.52Å; H24-Y58 AromaticContact NE2-CZ 3.58Å; H24-Y58 PolarHBondContact NE2-OH 3.42Å; H24-M62 VanDerWaalsContact CE1-SD 3.51Å; H24-V88 HydrophobicContact CB-CG1 4.28Å
25L97.9Very high97.3Very high33 Ų3367.6 Ų67.617%0.17333%0.334CS..Hα-helixtrans-61.2-43.8171.5-178.664.1000112A21 K22 E23 R29 L86 V88A21-L25 WeakPolarHBondContact O-CB 3.47Å; A21-L25 PolarHBondContact O-N 3.38Å; K22-L25 PolarHBondContact O-N 3.33Å; E23-L25 VanDerWaalsContact C-N 3.31Å; E23-L25 PolarHBondContact O-N 3.24Å; L25-R29 VanDerWaalsContact O-CG 3.28Å; L25-R29 WeakPolarHBondContact O-CG 3.45Å; L25-R29 PolarHBondContact O-N 3.33Å; L25-R29 VanDerWaalsContact O-N 3.11Å; L25-L86 HydrophobicContact CD1-CD2 3.66Å; L25-L86 HydrophobicContact CD1-CG 3.88Å; L25-V88 HydrophobicContact CB-CB 3.98Å; L25-V88 HydrophobicContact CB-CG2 3.99Å; L25-V88 HydrophobicContact CD1-CB 4.13Å; L25-V88 HydrophobicContact CD1-CG2 3.79Å
26A97.5Very high97.3Very high58 Ų5864.6 Ų64.648%0.47932%0.315SS..Hα-helixtrans-66.4-44.217900000111.1K22 E23 R29 D30K22-A26 PolarHBondContact O-N 3.33Å; E23-A26 WeakPolarHBondContact O-CB 3.26Å; E23-A26 PolarHBondContact O-N 3.47Å; E23-A26 VanDerWaalsContact O-N 3.09Å; A26-R29 PolarHBondContact O-N 3.08Å; A26-D30 PolarHBondContact O-N 3.44Å; A26-D30 VanDerWaalsContact O-N 3.09Å
27F97.4Very high97.4Very high51 Ų5160.5 Ų60.522%0.22429%0.292CS..Hα-helixtrans-58-49.8175171.4-120.7000112.5E23 H24 R29 D30 L31 Y58 V61E23-F27 PolarHBondContact O-N 3.29Å; H24-F27 PolarHBondContact O-N 2.98Å; F27-R29 VanDerWaalsContact C-N 3.27Å; F27-R29 PolarHBondContact O-N 2.86Å; F27-D30 PolarHBondContact O-N 2.89Å; F27-L31 HydrophobicContact CD2-CD1 4.32Å; F27-L31 HydrophobicContact CE1-CD1 4.02Å; F27-L31 HydrophobicContact CE2-CD1 3.56Å; F27-L31 HydrophobicContact CE2-CG 4.09Å; F27-L31 HydrophobicContact CZ-CD1 3.37Å; F27-L31 HydrophobicContact CZ-CG 4.38Å; F27-L31 PolarHBondContact O-N 3.12Å; F27-Y58 HydrophobicContact CD1-CD2 4.26Å; F27-Y58 HydrophobicContact CD1-CE2 4.27Å; F27-Y58 AromaticContact CE1-CD2 3.54Å; F27-Y58 HydrophobicContact CE1-CD2 3.54Å; F27-Y58 AromaticContact CE1-CE2 3.87Å; F27-Y58 HydrophobicContact CE1-CE2 3.87Å; F27-Y58 HydrophobicContact CE1-CG 4.47Å; F27-Y58 HydrophobicContact CZ-CD2 4.29Å; F27-V61 HydrophobicContact CE1-CB 4.1Å; F27-V61 HydrophobicContact CE1-CG1 3.89Å; F27-V61 HydrophobicContact CE2-CB 4.25Å; F27-V61 HydrophobicContact CE2-CG1 4.13Å; F27-V61 HydrophobicContact CE2-CG2 3.94Å; F27-V61 HydrophobicContact CZ-CB 3.53Å; F27-V61 HydrophobicContact CZ-CG1 3.61Å; F27-V61 HydrophobicContact CZ-CG2 3.64Å
28C97.8Very high97.4Very high0 Ų061.2 Ų61.20%030%0.295CS..Hα-helixtrans-61.8-34.5178.1-70.20000112.5H24 L31 D32 I33 L86H24-C28 WeakPolarHBondContact O-CB 3.36Å; H24-C28 PolarHBondContact O-N 2.89Å; H24-C28 PolarHBondContact O-SG 2.92Å; C28-L31 PolarHBondContact O-N 3.36Å; C28-D32 PolarHBondContact O-N 2.88Å; C28-I33 HydrophobicContact CB-CB 4.23Å; C28-I33 HydrophobicContact CB-CG2 4.42Å; C28-I33 WeakPolarHBondContact O-CB 3.43Å; C28-I33 PolarHBondContact O-N 3.24Å; C28-L86 HydrophobicContact CB-CD1 4.17Å; C28-L86 HydrophobicContact CB-CD2 3.41Å; C28-L86 VanDerWaalsContact CB-CD2 3.41Å; C28-L86 HydrophobicContact CB-CG 4.42Å
29R96.8Very high97.4Very high165 Ų16554.3 Ų54.362%0.62326%0.263SS*.Hα-helixtrans-67.6-38.6176.4-77.1174.5177.6169.3-0.4112.6L25 A26 F27 L31 D32 L86L25-R29 VanDerWaalsContact O-CG 3.28Å; L25-R29 WeakPolarHBondContact O-CG 3.45Å; L25-R29 PolarHBondContact O-N 3.33Å; L25-R29 VanDerWaalsContact O-N 3.11Å; A26-R29 PolarHBondContact O-N 3.08Å; F27-R29 VanDerWaalsContact C-N 3.27Å; F27-R29 PolarHBondContact O-N 2.86Å; R29-L31 PolarHBondContact O-N 2.84Å; R29-D32 PolarHBondContact O-N 3.29Å; R29-D32 VanDerWaalsContact O-N 3.16Å; R29-L86 HydrophobicContact CG-CD2 3.92Å
30D97.1Very high97.4Very high125 Ų12552.6 Ų52.667%0.66825%0.249SC*.Hα-helixtrans-63.1-31.4177.7-171.362.9000112A26 F27A26-D30 PolarHBondContact O-N 3.44Å; A26-D30 VanDerWaalsContact O-N 3.09Å; F27-D30 PolarHBondContact O-N 2.89Å
31L96.7Very high97.4Very high10 Ų1055 Ų555%0.05227%0.266CS..THydrogen-bonded Turntrans-86.83.6176.8-63.5-178.8000114.5F27 C28 R29 I33 A54 R57 Y58F27-L31 HydrophobicContact CD2-CD1 4.32Å; F27-L31 HydrophobicContact CE1-CD1 4.02Å; F27-L31 HydrophobicContact CE2-CD1 3.56Å; F27-L31 HydrophobicContact CE2-CG 4.09Å; F27-L31 HydrophobicContact CZ-CD1 3.37Å; F27-L31 HydrophobicContact CZ-CG 4.38Å; F27-L31 PolarHBondContact O-N 3.12Å; C28-L31 PolarHBondContact O-N 3.36Å; R29-L31 PolarHBondContact O-N 2.84Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 HydrophobicContact CB-CD1 3.81Å; L31-I33 HydrophobicContact CB-CG1 3.91Å; L31-I33 HydrophobicContact CD1-CD1 3.89Å; L31-I33 PolarHBondContact O-N 2.69Å; L31-A54 VanDerWaalsContact O-CB 3.25Å; L31-A54 WeakPolarHBondContact O-CB 3.49Å; L31-R57 HydrophobicContact CD1-CB 4.41Å; L31-R57 HydrophobicContact CD2-CB 4.12Å; L31-Y58 HydrophobicContact CD1-CD2 4.37Å
32D96.4Very high97.3Very high98 Ų9856.1 Ų56.152%0.52427%0.271SS..THydrogen-bonded Turntrans5439.3-171.5-165.534.9000113.2C28 R29 H81C28-D32 PolarHBondContact O-N 2.88Å; R29-D32 PolarHBondContact O-N 3.29Å; R29-D32 VanDerWaalsContact O-N 3.16Å; D32-H81 PolarHBondContact O-CE1 3.21Å; D32-H81 PolarHBondContact O-NE2 2.92Å
33I97.7Very high97.3Very high4 Ų448.3 Ų48.32%0.02124%0.237CC..  trans-87.4138.3177.3-70.7172.9000110.7C28 L31 L48 Y58 L86C28-I33 HydrophobicContact CB-CB 4.23Å; C28-I33 HydrophobicContact CB-CG2 4.42Å; C28-I33 WeakPolarHBondContact O-CB 3.43Å; C28-I33 PolarHBondContact O-N 3.24Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 HydrophobicContact CB-CD1 3.81Å; L31-I33 HydrophobicContact CB-CG1 3.91Å; L31-I33 HydrophobicContact CD1-CD1 3.89Å; L31-I33 PolarHBondContact O-N 2.69Å; I33-L48 HydrophobicContact CD1-CD1 4.48Å; I33-L48 HydrophobicContact CG2-CB 3.73Å; I33-L48 HydrophobicContact CG2-CD1 3.88Å; I33-L48 HydrophobicContact CG2-CD2 4.05Å; I33-L48 HydrophobicContact CG2-CG 4.09Å; I33-Y58 HydrophobicContact CD1-CD2 3.48Å; I33-Y58 VanDerWaalsContact CD1-CD2 3.48Å; I33-Y58 HydrophobicContact CD1-CE2 4.39Å; I33-Y58 HydrophobicContact CD1-CG 3.73Å; I33-L86 HydrophobicContact CG2-CD1 4.48Å
34K97.6Very high97.4Very high65 Ų6541.8 Ų41.828%0.28321%0.206SC..EExtended strand (participates in β ladder)trans-120.8142.1170.3-58.4-176.6-172.7178.10110.5L48 S49 H81 F83K34-L48 CarbonylContact O-C 3.55Å; K34-L48 VanDerWaalsContact O-CA 3.31Å; K34-L48 WeakPolarHBondContact O-CA 3.3Å; K34-S49 PolarHBondContact N-O 2.87Å; K34-S49 PolarHBondContact O-N 3.13Å; K34-S49 PolarHBondContact O-OG 3.43Å; K34-H81 HydrophobicContact CD-CB 4.1Å; K34-F83 HydrophobicContact CB-CB 3.87Å; K34-F83 WeakPolarHBondContact CD-O 3.39Å
35G97Very high97.4Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans170.4-176.2-171.100000113.7T47 K85 L86 F87G35-T47 CarbonylContact C-O 3.45Å; G35-T47 WeakPolarHBondContact CA-O 3.44Å; G35-K85 PolarHBondContact N-O 3.49Å; G35-L86 CarbonylContact O-C 3.31Å; G35-L86 WeakPolarHBondContact O-CA 3.45Å; G35-F87 PolarHBondContact O-N 2.96Å
36R96.9Very high97.3Very high128 Ų12841 Ų4148%0.48320%0.203SC..EExtended strand (participates in β ladder)trans-124.1118.6167.5-175.1-178.1-64.4-173.42.4108.4L38 G46 T47 F83 F87R36-L38 HydrophobicContact CG-CD2 4.42Å; R36-G46 WeakPolarHBondContact O-CA 3.43Å; R36-T47 PolarHBondContact N-O 3.1Å; R36-T47 PolarHBondContact O-N 2.93Å; R36-F83 HydrophobicContact CB-CE1 4.36Å; R36-F87 CarbonylContact C-O 3.51Å; R36-F87 WeakPolarHBondContact CA-O 3.33Å
37I98.2Very high97.3Very high0 Ų039.5 Ų39.50%019%0.188CC..EExtended strand (participates in β ladder)trans-121.7125.9176.1-55173.9000107.5V39 I44 N45 L48 F87 V88 R89I37-V39 HydrophobicContact CG2-CG2 4.38Å; I37-I44 HydrophobicContact CG2-CD1 3.74Å; I37-I44 HydrophobicContact CG2-CG1 3.7Å; I37-N45 CarbonylContact C-O 3.5Å; I37-N45 WeakPolarHBondContact CA-O 3.34Å; I37-L48 HydrophobicContact CD1-CD2 4.01Å; I37-F87 PolarHBondContact N-O 3.42Å; I37-V88 HydrophobicContact CB-CB 4.47Å; I37-V88 HydrophobicContact CB-CG1 4.18Å; I37-V88 HydrophobicContact CB-CG2 4.14Å; I37-V88 HydrophobicContact CD1-CG2 4.18Å; I37-V88 HydrophobicContact CG2-CG1 4.24Å; I37-V88 CarbonylContact O-C 3.59Å; I37-V88 VanDerWaalsContact O-CA 3.27Å; I37-V88 WeakPolarHBondContact O-CA 3.19Å; I37-R89 PolarHBondContact O-N 2.88Å
38L97.7Very high97.3Very high33 Ų3337 Ų3717%0.17318%0.177CC..EExtended strand (participates in β ladder)trans-105.6135.5173.1-55.8-177.6000108.1R36 I44 N45 R89 R91 L94R36-L38 HydrophobicContact CG-CD2 4.42Å; L38-I44 WeakPolarHBondContact O-CA 3.34Å; L38-N45 PolarHBondContact N-O 3.25Å; L38-N45 PolarHBondContact O-N 3.36Å; L38-R89 WeakPolarHBondContact CA-O 3.38Å; L38-R89 HydrophobicContact CD2-CB 4.25Å; L38-R91 HydrophobicContact CB-CG 4.47Å; L38-R91 HydrophobicContact CD2-CG 4.03Å; L38-L94 HydrophobicContact CB-CD2 4.37Å; L38-L94 WeakPolarHBondContact O-CD2 3.48Å
39V98.2Very high97.3Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-122.9131.1177.7-174.20000106.8I14 P17 F20 A21 I37 I44 V88 R89 P90 R91I14-V39 HydrophobicContact CD1-CG1 3.7Å; I14-V39 HydrophobicContact CG2-CG1 4.29Å; P17-V39 HydrophobicContact CB-CG1 3.92Å; F20-V39 HydrophobicContact CB-CG1 4.37Å; F20-V39 HydrophobicContact CD1-CB 4.3Å; F20-V39 HydrophobicContact CD1-CG1 3.5Å; F20-V39 VanDerWaalsContact CD1-CG1 3.5Å; F20-V39 HydrophobicContact CD1-CG2 3.8Å; F20-V39 HydrophobicContact CE1-CG1 4.22Å; F20-V39 HydrophobicContact CE1-CG2 4.06Å; F20-V39 HydrophobicContact CG-CG1 4.28Å; A21-V39 HydrophobicContact CB-CB 4.34Å; A21-V39 HydrophobicContact CB-CG2 4.12Å; I37-V39 HydrophobicContact CG2-CG2 4.38Å; V39-I44 HydrophobicContact CG2-CG1 4.43Å; V39-V88 HydrophobicContact CG2-CG1 4.05Å; V39-R89 PolarHBondContact N-O 3.43Å; V39-P90 CarbonylContact O-C 2.89Å; V39-P90 VanDerWaalsContact O-CA 3.26Å; V39-P90 WeakPolarHBondContact O-CA 3.28Å; V39-R91 PolarHBondContact O-N 2.9Å
40A97.5Very high97.4Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-137.7167.3177.400000109.2E42 G43 R91 L94A40-E42 HydrophobicContact CB-CG 3.9Å; A40-E42 PolarHBondContact O-N 3.41Å; A40-E42 VanDerWaalsContact O-N 3.08Å; A40-G43 PolarHBondContact N-O 3.27Å; A40-G43 PolarHBondContact O-N 3.32Å; A40-R91 WeakPolarHBondContact CA-O 3.46Å; A40-R91 WeakPolarHBondContact CB-O 3.4Å; A40-L94 HydrophobicContact CB-CD2 3.81Å; A40-L94 HydrophobicContact CB-CG 4.04Å
41P96.7Very high97.4Very high69 Ų6924.7 Ų24.745%0.44813%0.125SC..THydrogen-bonded Turntrans-55.1-27.7174.9-25.234.3000113.3T13 I14 P17T13-P41 WeakPolarHBondContact CA-O 3.42Å; I14-P41 PolarHBondContact N-O 3.1Å; I14-P41 WeakPolarHBondContact O-CA 3.23Å; P17-P41 HydrophobicContact CG-CB 4.4Å; P17-P41 HydrophobicContact CG-CG 3.85Å
42E96.2Very high97.5Very high27 Ų2727.3 Ų27.313%0.12614%0.135CC..THydrogen-bonded Turntrans-84.5-3.7178.168.3178.3-168.300114.9Y11 T12 A40 E93 L94 K185Y11-E42 CarbonylContact C-O 3.59Å; Y11-E42 VanDerWaalsContact CA-O 3.24Å; Y11-E42 WeakPolarHBondContact CA-O 3.3Å; Y11-E42 HydrophobicContact CD1-CB 4.34Å; Y11-E42 HydrophobicContact CD1-CG 4.35Å; Y11-E42 HydrophobicContact CE1-CG 4.28Å; T12-E42 PolarHBondContact N-O 3.06Å; T12-E42 CarbonylContact O-C 3.43Å; A40-E42 HydrophobicContact CB-CG 3.9Å; A40-E42 PolarHBondContact O-N 3.41Å; A40-E42 VanDerWaalsContact O-N 3.08Å; E42-E93 WeakPolarHBondContact OE1-CA 3.42Å; E42-L94 HydrophobicContact CG-CD1 4.11Å; E42-L94 HydrophobicContact CG-CG 3.84Å; E42-L94 WeakPolarHBondContact OE1-CB 3.31Å; E42-L94 PolarHBondContact OE1-N 3.16Å; E42-K185 WeakPolarHBondContact OE1-CE 3.22Å; E42-K185 IonicContact OE1-NZ 3.51Å; E42-K185 PolarHBondContact OE1-NZ 3.47Å; E42-K185 WeakPolarHBondContact OE2-CE 3.15Å; E42-K185 IonicContact OE2-NZ 3.59Å; E42-K185 PolarHBondContact OE2-NZ 3.01Å
43G97.6Very high97.5Very high0 Ų028 Ų280%014%0.135CC..EExtended strand (participates in β ladder)trans140.2-141171.100000115.3N10 T12 I14 A40 L94N10-G43 WeakPolarHBondContact O-CA 3.45Å; T12-G43 VanDerWaalsContact O-CA 3.24Å; T12-G43 WeakPolarHBondContact O-CA 3.35Å; T12-G43 PolarHBondContact O-N 3.2Å; I14-G43 VanDerWaalsContact CD1-O 3.29Å; I14-G43 WeakPolarHBondContact CD1-O 3.18Å; A40-G43 PolarHBondContact N-O 3.27Å; A40-G43 PolarHBondContact O-N 3.32Å; G43-L94 WeakPolarHBondContact O-CD2 3.35Å
44I98.2Very high97.5Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-137.1142.4-175.5-166.7174.3000112Y8 Y9 N10 F20 I37 L38 V39 M62 F68Y8-I44 HydrophobicContact CE2-CD1 4.2Å; Y8-I44 HydrophobicContact CE2-CG1 4.27Å; Y8-I44 HydrophobicContact CE2-CG2 4.21Å; Y9-I44 CarbonylContact C-O 3.48Å; Y9-I44 WeakPolarHBondContact CA-O 3.28Å; N10-I44 HydrophobicContact CB-CG2 4.02Å; N10-I44 PolarHBondContact N-O 3.12Å; N10-I44 PolarHBondContact O-N 2.74Å; F20-I44 HydrophobicContact CE1-CD1 3.96Å; F20-I44 HydrophobicContact CZ-CD1 4.4Å; I37-I44 HydrophobicContact CG2-CD1 3.74Å; I37-I44 HydrophobicContact CG2-CG1 3.7Å; L38-I44 WeakPolarHBondContact O-CA 3.34Å; V39-I44 HydrophobicContact CG2-CG1 4.43Å; I44-M62 HydrophobicContact CD1-CE 4.04Å; I44-M62 HydrophobicContact CG2-CE 4.27Å; I44-F68 HydrophobicContact CB-CE1 4.12Å; I44-F68 HydrophobicContact CG2-CD1 3.75Å; I44-F68 HydrophobicContact CG2-CE1 3.51Å; I44-F68 HydrophobicContact CG2-CZ 4.37Å
45N97.7Very high97.5Very high26 Ų2625.2 Ų25.214%0.13913%0.125CC..EExtended strand (participates in β ladder)trans-135.6126.1173.6174.921.3000109Y8 I37 L38 L94 I181Y8-N45 PolarHBondContact O-OD1 2.84Å; I37-N45 CarbonylContact C-O 3.5Å; I37-N45 WeakPolarHBondContact CA-O 3.34Å; L38-N45 PolarHBondContact N-O 3.25Å; L38-N45 PolarHBondContact O-N 3.36Å; N45-L94 HydrophobicContact CB-CB 4.08Å; N45-L94 HydrophobicContact CB-CD1 4.39Å; N45-L94 HydrophobicContact CB-CD2 4Å; N45-L94 HydrophobicContact CB-CG 4.39Å; N45-I181 HydrophobicContact CB-CD1 3.56Å; N45-I181 WeakPolarHBondContact ND2-CD1 3.31Å
46G97.1Very high97.5Very high1 Ų128.3 Ų28.31%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-140.5141.3-173.200000114.2Y8 R36Y8-G46 PolarHBondContact N-O 2.73Å; Y8-G46 PolarHBondContact O-N 3.14Å; R36-G46 WeakPolarHBondContact O-CA 3.43Å
47T97.2Very high97.6Very high27 Ų2729.1 Ų29.117%0.16615%0.145CC..EExtended strand (participates in β ladder)trans-128.9121.1158.8-45.80000108.2V5 L6 L7 G35 R36 F83V5-T47 HydrophobicContact CG1-CG2 3.9Å; L6-T47 CarbonylContact O-C 3.37Å; L6-T47 VanDerWaalsContact O-CA 3.26Å; L6-T47 WeakPolarHBondContact O-CA 3.48Å; L7-T47 HydrophobicContact CD1-CG2 4.4Å; L7-T47 VanDerWaalsContact CD1-OG1 3.27Å; L7-T47 WeakPolarHBondContact CD1-OG1 3.2Å; G35-T47 CarbonylContact C-O 3.45Å; G35-T47 WeakPolarHBondContact CA-O 3.44Å; R36-T47 PolarHBondContact N-O 3.1Å; R36-T47 PolarHBondContact O-N 2.93Å; T47-F83 HydrophobicContact CG2-CE2 3.93Å; T47-F83 HydrophobicContact CG2-CZ 3.62Å; T47-F83 WeakPolarHBondContact O-CE2 3.47Å; T47-F83 WeakPolarHBondContact O-CZ 3.42Å
48L98Very high97.6Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-143.3164.3-174.466.879.4000111.6V5 L6 Y8 I33 K34 I37 T55 Y58V5-L48 CarbonylContact C-O 3.51Å; V5-L48 WeakPolarHBondContact CA-O 3.32Å; V5-L48 VanDerWaalsContact CG1-O 3.32Å; V5-L48 WeakPolarHBondContact CG1-O 3.28Å; L6-L48 HydrophobicContact CB-CD1 3.88Å; L6-L48 HydrophobicContact CB-CG 4.08Å; L6-L48 HydrophobicContact CD1-CD1 3.83Å; L6-L48 HydrophobicContact CG-CD1 3.81Å; L6-L48 PolarHBondContact N-O 3.45Å; L6-L48 PolarHBondContact O-N 2.84Å; Y8-L48 HydrophobicContact CE1-CD2 3.88Å; Y8-L48 HydrophobicContact CE1-CG 4.41Å; I33-L48 HydrophobicContact CD1-CD1 4.48Å; I33-L48 HydrophobicContact CG2-CB 3.73Å; I33-L48 HydrophobicContact CG2-CD1 3.88Å; I33-L48 HydrophobicContact CG2-CD2 4.05Å; I33-L48 HydrophobicContact CG2-CG 4.09Å; K34-L48 CarbonylContact O-C 3.55Å; K34-L48 VanDerWaalsContact O-CA 3.31Å; K34-L48 WeakPolarHBondContact O-CA 3.3Å; I37-L48 HydrophobicContact CD1-CD2 4.01Å; L48-T55 HydrophobicContact CD1-CG2 4.01Å; L48-Y58 HydrophobicContact CD2-CD1 3.92Å; L48-Y58 HydrophobicContact CD2-CD2 4.34Å; L48-Y58 HydrophobicContact CD2-CE1 3.46Å; L48-Y58 VanDerWaalsContact CD2-CE1 3.46Å; L48-Y58 HydrophobicContact CD2-CE2 3.92Å; L48-Y58 HydrophobicContact CD2-CG 4.33Å; L48-Y58 VanDerWaalsContact CD2-CZ 3.44Å
49S98Very high97.6Very high0 Ų028.7 Ų28.70%014%0.142CC..EExtended strand (participates in β ladder)trans-140.6147.6179.260.50000110.4R4 K34 H81 A82R4-S49 VanDerWaalsContact O-CA 3.25Å; R4-S49 WeakPolarHBondContact O-CA 3.41Å; K34-S49 PolarHBondContact N-O 2.87Å; K34-S49 PolarHBondContact O-N 3.13Å; K34-S49 PolarHBondContact O-OG 3.43Å; S49-H81 PolarHBondContact O-CE1 3.38Å; S49-H81 PolarHBondContact O-ND1 2.73Å; S49-H81 WeakPolarHBondContact OG-CA 3.23Å; S49-H81 PolarHBondContact OG-ND1 3.39Å; S49-A82 PolarHBondContact OG-N 3Å; S49-A82 VanDerWaalsContact OG-N 3.15Å
50G97.8Very high97.6Very high0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-171.9-179.2176.800000110.1Y3 R4Y3-G50 VanDerWaalsContact CA-O 3.28Å; Y3-G50 WeakPolarHBondContact CA-O 3.45Å; Y3-G50 WeakPolarHBondContact CD1-O 3.45Å; R4-G50 PolarHBondContact N-O 3.28Å; R4-G50 PolarHBondContact O-N 3.49Å
51T97.8Very high97.6Very high31 Ų3137.4 Ų37.419%0.1919%0.191CC..EExtended strand (participates in β ladder)trans-63.1162.3171.377.70000110.2D2 Y3 E53 A54 T55D2-T51 CarbonylContact O-C 3.58Å; D2-T51 VanDerWaalsContact O-CA 3.27Å; D2-T51 WeakPolarHBondContact O-CA 3.28Å; Y3-T51 HydrophobicContact CE1-CG2 4.03Å; Y3-T51 HydrophobicContact CE2-CG2 4.11Å; T51-E53 VanDerWaalsContact C-N 3.26Å; T51-E53 WeakPolarHBondContact CB-OE2 3.47Å; T51-E53 PolarHBondContact O-N 3.14Å; T51-E53 PolarHBondContact OG1-OE2 2.79Å; T51-A54 PolarHBondContact O-N 2.94Å; T51-A54 PolarHBondContact OG1-N 3.2Å; T51-A54 VanDerWaalsContact OG1-N 3.17Å; T51-T55 WeakPolarHBondContact O-CB 3.26Å; T51-T55 WeakPolarHBondContact O-CG2 3.42Å; T51-T55 PolarHBondContact O-N 3.43Å; T51-T55 PolarHBondContact O-OG1 3.25Å
52K97.2Very high97.7Very high64 Ų6434.3 Ų34.328%0.27817%0.171SC..Hα-helixtrans-55.9-43.4176.4-70.5-175.9-179-166.50111.5M1 D2 T55 D56 E77M1-K52 WeakPolarHBondContact O-CE 3.48Å; M1-K52 PolarHBondContact O-NZ 3.47Å; D2-K52 PolarHBondContact O-N 2.7Å; K52-T55 WeakPolarHBondContact CA-OG1 3.45Å; K52-T55 PolarHBondContact O-N 2.85Å; K52-T55 PolarHBondContact O-OG1 2.88Å; K52-T55 VanDerWaalsContact O-OG1 3.05Å; K52-D56 WeakPolarHBondContact O-CB 3.46Å; K52-D56 PolarHBondContact O-N 3.05Å; K52-E77 WeakPolarHBondContact CE-OE1 3.32Å; K52-E77 WeakPolarHBondContact CE-OE2 3.49Å; K52-E77 IonicContact NZ-OE1 3.24Å; K52-E77 PolarHBondContact NZ-OE1 2.93Å; K52-E77 IonicContact NZ-OE2 2.67Å; K52-E77 PolarHBondContact NZ-OE2 2.87Å
53E97Very high97.7Very high112 Ų11236.4 Ų36.452%0.52318%0.183SC..Hα-helixtrans-64.7-46178-55.975.3-164.200112.1T51 T55 D56 R57T51-E53 VanDerWaalsContact C-N 3.26Å; T51-E53 WeakPolarHBondContact CB-OE2 3.47Å; T51-E53 PolarHBondContact O-N 3.14Å; T51-E53 PolarHBondContact OG1-OE2 2.79Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.22Å; E53-D56 PolarHBondContact O-N 2.81Å; E53-R57 WeakPolarHBondContact O-CG 3.19Å; E53-R57 PolarHBondContact O-N 3.01Å
54A97.8Very high97.7Very high11 Ų1140.2 Ų40.29%0.09121%0.214CC..Hα-helixtrans-62.1-42.6179.800000111.5L31 T51 Y58L31-A54 VanDerWaalsContact O-CB 3.25Å; L31-A54 WeakPolarHBondContact O-CB 3.49Å; T51-A54 PolarHBondContact O-N 2.94Å; T51-A54 PolarHBondContact OG1-N 3.2Å; T51-A54 VanDerWaalsContact OG1-N 3.17Å; A54-Y58 WeakPolarHBondContact O-CB 3.35Å; A54-Y58 PolarHBondContact O-N 3.05Å
55T98.1Very high97.6Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-75.7-27.5179.449.80000112.5R4 L6 L48 T51 K52 E53 Y58 M59R4-T55 WeakPolarHBondContact CD-OG1 3.47Å; R4-T55 HydrophobicContact CG-CG2 4.04Å; R4-T55 VanDerWaalsContact CG-OG1 3.23Å; R4-T55 WeakPolarHBondContact CG-OG1 3.35Å; R4-T55 VanDerWaalsContact NE-CB 3.31Å; R4-T55 PolarHBondContact NE-OG1 2.95Å; R4-T55 PolarHBondContact NH2-O 3.01Å; R4-T55 VanDerWaalsContact NH2-O 3.1Å; R4-T55 PolarHBondContact NH2-OG1 3.04Å; L6-T55 HydrophobicContact CD1-CG2 4.32Å; L6-T55 HydrophobicContact CG-CG2 4.24Å; L48-T55 HydrophobicContact CD1-CG2 4.01Å; T51-T55 WeakPolarHBondContact O-CB 3.26Å; T51-T55 WeakPolarHBondContact O-CG2 3.42Å; T51-T55 PolarHBondContact O-N 3.43Å; T51-T55 PolarHBondContact O-OG1 3.25Å; K52-T55 WeakPolarHBondContact CA-OG1 3.45Å; K52-T55 PolarHBondContact O-N 2.85Å; K52-T55 PolarHBondContact O-OG1 2.88Å; K52-T55 VanDerWaalsContact O-OG1 3.05Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.22Å; T55-Y58 PolarHBondContact O-N 3.27Å; T55-M59 WeakPolarHBondContact O-CG 3.44Å; T55-M59 PolarHBondContact O-N 3.24Å; T55-M59 VanDerWaalsContact O-N 3.07Å
56D97.8Very high97.5Very high65 Ų6547.6 Ų47.635%0.34825%0.249SC..Hα-helixtrans-66.7-50172.3-78-28.5000109.6R4 K52 E53 Y58 M59 D60R4-D56 IonicContact CZ-OD1 3.71Å; R4-D56 IonicContact NH1-OD1 2.73Å; R4-D56 PolarHBondContact NH1-OD1 3.46Å; R4-D56 IonicContact NH1-OD2 2.93Å; R4-D56 VanDerWaalsContact NH2-CA 3.3Å; R4-D56 IonicContact NH2-OD1 2.78Å; R4-D56 PolarHBondContact NH2-OD1 2.82Å; K52-D56 WeakPolarHBondContact O-CB 3.46Å; K52-D56 PolarHBondContact O-N 3.05Å; E53-D56 PolarHBondContact O-N 2.81Å; D56-Y58 PolarHBondContact O-N 3.4Å; D56-M59 PolarHBondContact O-N 3.05Å; D56-M59 VanDerWaalsContact O-N 3.08Å; D56-D60 PolarHBondContact O-N 2.68Å
57R97.9Very high97.5Very high146 Ų14652.2 Ų52.255%0.55127%0.266SS*.Hα-helixtrans-57-38.1174.3-69.3-174.671.6-160.4-2.7112.5L31 E53 V61L31-R57 HydrophobicContact CD1-CB 4.41Å; L31-R57 HydrophobicContact CD2-CB 4.12Å; E53-R57 WeakPolarHBondContact O-CG 3.19Å; E53-R57 PolarHBondContact O-N 3.01Å; R57-V61 WeakPolarHBondContact O-CG2 3.27Å; R57-V61 PolarHBondContact O-N 3.15Å; R57-V61 VanDerWaalsContact O-N 3.15Å
58Y98.3Very high97.4Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-62.4-48.2175.6-178-92.3000112.4L6 Y8 H24 F27 L31 I33 L48 A54 T55 D56 V61 M62 F73L6-Y58 HydrophobicContact CD1-CD1 3.99Å; Y8-Y58 HydrophobicContact CE1-CE1 4.06Å; Y8-Y58 PolarHBondContact OH-OH 3Å; H24-Y58 AromaticContact CE1-CE2 3.86Å; H24-Y58 AromaticContact CE1-CZ 3.99Å; H24-Y58 PolarHBondContact CE1-OH 3.33Å; H24-Y58 AromaticContact NE2-CE2 3.52Å; H24-Y58 AromaticContact NE2-CZ 3.58Å; H24-Y58 PolarHBondContact NE2-OH 3.42Å; F27-Y58 HydrophobicContact CD1-CD2 4.26Å; F27-Y58 HydrophobicContact CD1-CE2 4.27Å; F27-Y58 AromaticContact CE1-CD2 3.54Å; F27-Y58 HydrophobicContact CE1-CD2 3.54Å; F27-Y58 AromaticContact CE1-CE2 3.87Å; F27-Y58 HydrophobicContact CE1-CE2 3.87Å; F27-Y58 HydrophobicContact CE1-CG 4.47Å; F27-Y58 HydrophobicContact CZ-CD2 4.29Å; L31-Y58 HydrophobicContact CD1-CD2 4.37Å; I33-Y58 HydrophobicContact CD1-CD2 3.48Å; I33-Y58 VanDerWaalsContact CD1-CD2 3.48Å; I33-Y58 HydrophobicContact CD1-CE2 4.39Å; I33-Y58 HydrophobicContact CD1-CG 3.73Å; L48-Y58 HydrophobicContact CD2-CD1 3.92Å; L48-Y58 HydrophobicContact CD2-CD2 4.34Å; L48-Y58 HydrophobicContact CD2-CE1 3.46Å; L48-Y58 VanDerWaalsContact CD2-CE1 3.46Å; L48-Y58 HydrophobicContact CD2-CE2 3.92Å; L48-Y58 HydrophobicContact CD2-CG 4.33Å; L48-Y58 VanDerWaalsContact CD2-CZ 3.44Å; A54-Y58 WeakPolarHBondContact O-CB 3.35Å; A54-Y58 PolarHBondContact O-N 3.05Å; T55-Y58 PolarHBondContact O-N 3.27Å; D56-Y58 PolarHBondContact O-N 3.4Å; Y58-V61 PolarHBondContact O-N 3.27Å; Y58-M62 HydrophobicContact CD1-CG 4.07Å; Y58-M62 HydrophobicContact CE1-CG 3.61Å; Y58-M62 HydrophobicContact CE1-SD 4.4Å; Y58-M62 HydrophobicContact CE2-CG 4.41Å; Y58-M62 WeakPolarHBondContact O-CB 3.49Å; Y58-M62 VanDerWaalsContact O-CG 3.29Å; Y58-M62 WeakPolarHBondContact O-CG 3.48Å; Y58-M62 PolarHBondContact O-N 3.45Å; Y58-F73 HydrophobicContact CD1-CE1 4.41Å; Y58-F73 HydrophobicContact CE1-CE1 4.04Å; Y58-F73 HydrophobicContact CE1-CZ 4.47Å
59M98.2Very high97.3Very high23 Ų2355.6 Ų55.611%0.11328%0.279CS..Hα-helixtrans-64.1-42.1178.5-68.2-176.8-36.500111.1L6 T55 D56 V61 M62 L63 F73 M75L6-M59 HydrophobicContact CD1-CG 3.69Å; L6-M59 HydrophobicContact CD1-SD 3.98Å; L6-M59 HydrophobicContact CD2-SD 4.04Å; T55-M59 WeakPolarHBondContact O-CG 3.44Å; T55-M59 PolarHBondContact O-N 3.24Å; T55-M59 VanDerWaalsContact O-N 3.07Å; D56-M59 PolarHBondContact O-N 3.05Å; D56-M59 VanDerWaalsContact O-N 3.08Å; M59-V61 VanDerWaalsContact C-N 3.35Å; M59-V61 PolarHBondContact O-N 2.68Å; M59-M62 PolarHBondContact O-N 3.18Å; M59-L63 WeakPolarHBondContact O-CB 3.23Å; M59-L63 VanDerWaalsContact O-CG 3.26Å; M59-L63 WeakPolarHBondContact O-CG 3.37Å; M59-L63 PolarHBondContact O-N 2.97Å; M59-F73 HydrophobicContact CB-CD2 4.33Å; M59-F73 HydrophobicContact CB-CE2 4.19Å; M59-F73 HydrophobicContact CG-CD1 4.05Å; M59-F73 HydrophobicContact CG-CD2 3.82Å; M59-F73 HydrophobicContact CG-CE1 4.2Å; M59-F73 HydrophobicContact CG-CE2 3.98Å; M59-F73 HydrophobicContact CG-CG 3.86Å; M59-F73 HydrophobicContact CG-CZ 4.17Å; M59-F73 HydrophobicContact SD-CB 3.79Å; M59-F73 HydrophobicContact SD-CD1 4.36Å; M59-F73 HydrophobicContact SD-CD2 4.02Å; M59-F73 HydrophobicContact SD-CG 3.8Å; M59-M75 HydrophobicContact CE-SD 4.3Å; M59-M75 HydrophobicContact SD-SD 4.27Å
60D98Very high97.1Very high107 Ų10762 Ų6257%0.57231%0.313SS*.Hα-helixtrans-58.4-45.7178.5-69.3-19.6000111.9D56 L63 A64D56-D60 PolarHBondContact O-N 2.68Å; D60-L63 PolarHBondContact O-N 3.43Å; D60-A64 VanDerWaalsContact O-CB 3.25Å; D60-A64 WeakPolarHBondContact O-CB 3.21Å; D60-A64 PolarHBondContact O-N 3.34Å
61V97.4Very high97.1Very high76 Ų7662.4 Ų62.446%0.46132%0.315SS..Hα-helixtrans-66.7-41.2178171.50000111.4F27 R57 Y58 M59 D65F27-V61 HydrophobicContact CE1-CB 4.1Å; F27-V61 HydrophobicContact CE1-CG1 3.89Å; F27-V61 HydrophobicContact CE2-CB 4.25Å; F27-V61 HydrophobicContact CE2-CG1 4.13Å; F27-V61 HydrophobicContact CE2-CG2 3.94Å; F27-V61 HydrophobicContact CZ-CB 3.53Å; F27-V61 HydrophobicContact CZ-CG1 3.61Å; F27-V61 HydrophobicContact CZ-CG2 3.64Å; R57-V61 WeakPolarHBondContact O-CG2 3.27Å; R57-V61 PolarHBondContact O-N 3.15Å; R57-V61 VanDerWaalsContact O-N 3.15Å; Y58-V61 PolarHBondContact O-N 3.27Å; M59-V61 VanDerWaalsContact C-N 3.35Å; M59-V61 PolarHBondContact O-N 2.68Å; V61-D65 PolarHBondContact O-N 3.31Å
62M97.7Very high97Very high5 Ų566.9 Ų66.93%0.02533%0.33CS..Hα-helixtrans-62.2-48.9175.9-74.5-69.7-65.200111.3Y8 H24 I44 Y58 M59 A64 D65 F68 F73Y8-M62 HydrophobicContact CE2-CE 4Å; H24-M62 VanDerWaalsContact CE1-SD 3.51Å; I44-M62 HydrophobicContact CD1-CE 4.04Å; I44-M62 HydrophobicContact CG2-CE 4.27Å; Y58-M62 HydrophobicContact CD1-CG 4.07Å; Y58-M62 HydrophobicContact CE1-CG 3.61Å; Y58-M62 HydrophobicContact CE1-SD 4.4Å; Y58-M62 HydrophobicContact CE2-CG 4.41Å; Y58-M62 WeakPolarHBondContact O-CB 3.49Å; Y58-M62 VanDerWaalsContact O-CG 3.29Å; Y58-M62 WeakPolarHBondContact O-CG 3.48Å; Y58-M62 PolarHBondContact O-N 3.45Å; M59-M62 PolarHBondContact O-N 3.18Å; M62-A64 VanDerWaalsContact C-N 3.28Å; M62-A64 PolarHBondContact O-N 3.1Å; M62-D65 PolarHBondContact O-N 3.32Å; M62-F68 HydrophobicContact CE-CB 3.88Å; M62-F68 HydrophobicContact CE-CD1 4.14Å; M62-F68 HydrophobicContact CE-CD2 3.86Å; M62-F68 HydrophobicContact CE-CE2 4.47Å; M62-F68 HydrophobicContact CE-CG 3.7Å; M62-F68 WeakPolarHBondContact O-CB 3.37Å; M62-F68 HydrophobicContact SD-CD2 4.15Å; M62-F73 HydrophobicContact CB-CE2 4.34Å; M62-F73 HydrophobicContact CB-CZ 3.77Å; M62-F73 HydrophobicContact CG-CZ 4.05Å
63L97.7Very high97Very high71 Ų7164.8 Ų64.837%0.37232%0.321SS..Hα-helixtrans-71.6-22.1-176.8-65.6171.6000113M59 D60 D65 K69 F73M59-L63 WeakPolarHBondContact O-CB 3.23Å; M59-L63 VanDerWaalsContact O-CG 3.26Å; M59-L63 WeakPolarHBondContact O-CG 3.37Å; M59-L63 PolarHBondContact O-N 2.97Å; D60-L63 PolarHBondContact O-N 3.43Å; L63-D65 VanDerWaalsContact C-N 3.33Å; L63-K69 VanDerWaalsContact CD2-O 3.26Å; L63-K69 WeakPolarHBondContact CD2-O 3.4Å; L63-F73 HydrophobicContact CD2-CE2 4.06Å; L63-F73 HydrophobicContact CG-CE2 4.09Å
64A97.6Very high97Very high80 Ų8059.9 Ų59.966%0.66130%0.298SS*.Hα-helixtrans-75.7-19173.200000113.6D60 M62D60-A64 VanDerWaalsContact O-CB 3.25Å; D60-A64 WeakPolarHBondContact O-CB 3.21Å; D60-A64 PolarHBondContact O-N 3.34Å; M62-A64 VanDerWaalsContact C-N 3.28Å; M62-A64 PolarHBondContact O-N 3.1Å
65D95.9Very high96.9Very high43 Ų4364 Ų6423%0.2332%0.316CS..SBendtrans-82.3120.4172.9-170.2-38.7000109.5V61 M62 L63 R67 F68 K69V61-D65 PolarHBondContact O-N 3.31Å; M62-D65 PolarHBondContact O-N 3.32Å; L63-D65 VanDerWaalsContact C-N 3.33Å; D65-R67 PolarHBondContact O-N 3.46Å; D65-R67 VanDerWaalsContact OD1-CB 3.28Å; D65-R67 WeakPolarHBondContact OD1-CB 3.2Å; D65-R67 WeakPolarHBondContact OD1-CG 3.32Å; D65-R67 IonicContact OD1-CZ 3.29Å; D65-R67 PolarHBondContact OD1-N 3.3Å; D65-R67 IonicContact OD1-NE 3.37Å; D65-R67 PolarHBondContact OD1-NE 2.91Å; D65-R67 IonicContact OD1-NH2 2.69Å; D65-R67 IonicContact OD2-CZ 3.46Å; D65-R67 IonicContact OD2-NE 3.15Å; D65-R67 PolarHBondContact OD2-NE 3.18Å; D65-R67 IonicContact OD2-NH2 2.7Å; D65-R67 PolarHBondContact OD2-NH2 3.23Å; D65-F68 HydrophobicContact CB-CD2 3.89Å; D65-F68 CarbonylContact O-C 3.53Å; D65-F68 PolarHBondContact O-N 2.95Å; D65-K69 PolarHBondContact O-N 2.66Å
66E95.9Very high96.6Very high138 Ų13865.9 Ų65.965%0.64533%0.326SS*.THydrogen-bonded Turntrans-53.9-26.9-179.4-77.3-63.813900113.5F68 K69E66-F68 VanDerWaalsContact C-N 3.28Å; E66-F68 PolarHBondContact O-N 3.21Å; E66-K69 WeakPolarHBondContact OE2-CD 3.27Å; E66-K69 IonicContact OE2-NZ 3.7Å; E66-K69 PolarHBondContact OE2-NZ 2.87Å
67R95.6Very high96.4Very high97 Ų9767.8 Ų67.837%0.36633%0.333SS..THydrogen-bonded Turntrans-68.8-27.4177.1-61.9175.2-68.8-179.3-2.1112.8T12 D65T12-R67 WeakPolarHBondContact CB-O 3.07Å; T12-R67 HydrophobicContact CG2-CB 4.19Å; T12-R67 WeakPolarHBondContact CG2-O 3.44Å; T12-R67 PolarHBondContact OG1-O 2.84Å; D65-R67 PolarHBondContact O-N 3.46Å; D65-R67 VanDerWaalsContact OD1-CB 3.28Å; D65-R67 WeakPolarHBondContact OD1-CB 3.2Å; D65-R67 WeakPolarHBondContact OD1-CG 3.32Å; D65-R67 IonicContact OD1-CZ 3.29Å; D65-R67 PolarHBondContact OD1-N 3.3Å; D65-R67 IonicContact OD1-NE 3.37Å; D65-R67 PolarHBondContact OD1-NE 2.91Å; D65-R67 IonicContact OD1-NH2 2.69Å; D65-R67 IonicContact OD2-CZ 3.46Å; D65-R67 IonicContact OD2-NE 3.15Å; D65-R67 PolarHBondContact OD2-NE 3.18Å; D65-R67 IonicContact OD2-NH2 2.7Å; D65-R67 PolarHBondContact OD2-NH2 3.23Å
68F96.7Very high96.2Very high2 Ų261.7 Ų61.71%0.00931%0.313CS..THydrogen-bonded Turntrans-123.18.2-171.3-50.6-58.1000113.6N10 T12 I14 F20 I44 M62 D65 E66 D70 T71N10-F68 HydrophobicContact CB-CD1 4.27Å; T12-F68 HydrophobicContact CG2-CD1 3.9Å; T12-F68 HydrophobicContact CG2-CE1 3.54Å; T12-F68 HydrophobicContact CG2-CZ 4.47Å; I14-F68 HydrophobicContact CD1-CE1 4.14Å; I14-F68 HydrophobicContact CD1-CZ 3.96Å; F20-F68 HydrophobicContact CE1-CE2 4.49Å; F20-F68 HydrophobicContact CE1-CZ 4.15Å; F20-F68 AromaticContact CE2-CE2 3.6Å; F20-F68 HydrophobicContact CE2-CE2 3.6Å; F20-F68 AromaticContact CE2-CZ 3.8Å; F20-F68 HydrophobicContact CE2-CZ 3.8Å; F20-F68 AromaticContact CZ-CE2 3.41Å; F20-F68 HydrophobicContact CZ-CE2 3.41Å; F20-F68 VanDerWaalsContact CZ-CE2 3.41Å; F20-F68 AromaticContact CZ-CZ 3.44Å; F20-F68 HydrophobicContact CZ-CZ 3.44Å; F20-F68 VanDerWaalsContact CZ-CZ 3.44Å; I44-F68 HydrophobicContact CB-CE1 4.12Å; I44-F68 HydrophobicContact CG2-CD1 3.75Å; I44-F68 HydrophobicContact CG2-CE1 3.51Å; I44-F68 HydrophobicContact CG2-CZ 4.37Å; M62-F68 HydrophobicContact CE-CB 3.88Å; M62-F68 HydrophobicContact CE-CD1 4.14Å; M62-F68 HydrophobicContact CE-CD2 3.86Å; M62-F68 HydrophobicContact CE-CE2 4.47Å; M62-F68 HydrophobicContact CE-CG 3.7Å; M62-F68 WeakPolarHBondContact O-CB 3.37Å; M62-F68 HydrophobicContact SD-CD2 4.15Å; D65-F68 HydrophobicContact CB-CD2 3.89Å; D65-F68 CarbonylContact O-C 3.53Å; D65-F68 PolarHBondContact O-N 2.95Å; E66-F68 VanDerWaalsContact C-N 3.28Å; E66-F68 PolarHBondContact O-N 3.21Å; F68-D70 PolarHBondContact O-N 3.39Å; F68-D70 VanDerWaalsContact O-N 3.07Å; F68-T71 VanDerWaalsContact O-CB 3.23Å; F68-T71 WeakPolarHBondContact O-CB 3.2Å; F68-T71 PolarHBondContact O-N 3.02Å; F68-T71 PolarHBondContact O-OG1 3.27Å
69K96Very high95.9Very high96 Ų9669.6 Ų69.642%0.41735%0.35SS..THydrogen-bonded Turntrans-53.9-28.9-178.268.1-177.8173-169.10115.2L63 D65 E66L63-K69 VanDerWaalsContact CD2-O 3.26Å; L63-K69 WeakPolarHBondContact CD2-O 3.4Å; D65-K69 PolarHBondContact O-N 2.66Å; E66-K69 WeakPolarHBondContact OE2-CD 3.27Å; E66-K69 IonicContact OE2-NZ 3.7Å; E66-K69 PolarHBondContact OE2-NZ 2.87Å
70D93.5Very high95.7Very high134 Ų13469.7 Ų69.772%0.71736%0.356SS*.THydrogen-bonded Turntrans-97.315.6-178.7-58.1-46.9000112.5F68 Y72F68-D70 PolarHBondContact O-N 3.39Å; F68-D70 VanDerWaalsContact O-N 3.07Å; D70-Y72 PolarHBondContact O-N 3.35Å
71T97.2Very high95.6Very high9 Ų966.7 Ų66.76%0.05534%0.339CS..  trans-67.6118.1-178.2-58.80000111.5Y8 N10 F68 F73Y8-T71 HydrophobicContact CD2-CG2 3.62Å; Y8-T71 HydrophobicContact CG-CG2 4.01Å; N10-T71 PolarHBondContact ND2-OG1 3.3Å; F68-T71 VanDerWaalsContact O-CB 3.23Å; F68-T71 WeakPolarHBondContact O-CB 3.2Å; F68-T71 PolarHBondContact O-N 3.02Å; F68-T71 PolarHBondContact O-OG1 3.27Å; T71-F73 HydrophobicContact CG2-CD1 4.31Å; T71-F73 HydrophobicContact CG2-CD2 4.09Å; T71-F73 HydrophobicContact CG2-CE1 3.86Å; T71-F73 HydrophobicContact CG2-CE2 3.62Å; T71-F73 HydrophobicContact CG2-CG 4.42Å; T71-F73 HydrophobicContact CG2-CZ 3.48Å; T71-F73 VanDerWaalsContact CG2-CZ 3.48Å; T71-F73 WeakPolarHBondContact O-CD2 3.49Å; T71-F73 PolarHBondContact O-N 3.36Å
72Y95.9Very high95.4Very high126 Ų12663.2 Ų63.249%0.49432%0.318SS..  trans-85.7105.2174.3178.1-139000111.8D70 K74D70-Y72 PolarHBondContact O-N 3.35Å; Y72-K74 HydrophobicContact CD1-CG 4.41Å; Y72-K74 HydrophobicContact CE1-CD 4.43Å; Y72-K74 HydrophobicContact CE1-CG 3.95Å
73F97.4Very high95.2Very high19 Ų1963.9 Ų63.98%0.08332%0.321CS..  trans-86.8118.7177.2-65.8-80.8000112.3L6 Y8 Y58 M59 M62 L63 T71L6-F73 HydrophobicContact CB-CD1 4.4Å; L6-F73 HydrophobicContact CD1-CD1 4.05Å; L6-F73 HydrophobicContact CD1-CE1 4.43Å; Y8-F73 AromaticContact CD1-CD1 3.63Å; Y8-F73 HydrophobicContact CD1-CD1 3.63Å; Y8-F73 AromaticContact CD1-CE1 3.5Å; Y8-F73 HydrophobicContact CD1-CE1 3.5Å; Y8-F73 VanDerWaalsContact CD1-CE1 3.5Å; Y8-F73 HydrophobicContact CD2-CD1 4.47Å; Y8-F73 AromaticContact CD2-CE1 3.87Å; Y8-F73 HydrophobicContact CD2-CE1 3.87Å; Y8-F73 HydrophobicContact CE1-CD1 4.48Å; Y8-F73 AromaticContact CE1-CE1 4Å; Y8-F73 HydrophobicContact CE1-CE1 4Å; Y8-F73 HydrophobicContact CE2-CE1 4.34Å; Y8-F73 AromaticContact CG-CD1 3.64Å; Y8-F73 HydrophobicContact CG-CD1 3.64Å; Y8-F73 AromaticContact CG-CE1 3.45Å; Y8-F73 HydrophobicContact CG-CE1 3.45Å; Y8-F73 VanDerWaalsContact CG-CE1 3.45Å; Y8-F73 HydrophobicContact CG-CZ 4.43Å; Y58-F73 HydrophobicContact CD1-CE1 4.41Å; Y58-F73 HydrophobicContact CE1-CE1 4.04Å; Y58-F73 HydrophobicContact CE1-CZ 4.47Å; M59-F73 HydrophobicContact CB-CD2 4.33Å; M59-F73 HydrophobicContact CB-CE2 4.19Å; M59-F73 HydrophobicContact CG-CD1 4.05Å; M59-F73 HydrophobicContact CG-CD2 3.82Å; M59-F73 HydrophobicContact CG-CE1 4.2Å; M59-F73 HydrophobicContact CG-CE2 3.98Å; M59-F73 HydrophobicContact CG-CG 3.86Å; M59-F73 HydrophobicContact CG-CZ 4.17Å; M59-F73 HydrophobicContact SD-CB 3.79Å; M59-F73 HydrophobicContact SD-CD1 4.36Å; M59-F73 HydrophobicContact SD-CD2 4.02Å; M59-F73 HydrophobicContact SD-CG 3.8Å; M62-F73 HydrophobicContact CB-CE2 4.34Å; M62-F73 HydrophobicContact CB-CZ 3.77Å; M62-F73 HydrophobicContact CG-CZ 4.05Å; L63-F73 HydrophobicContact CD2-CE2 4.06Å; L63-F73 HydrophobicContact CG-CE2 4.09Å; T71-F73 HydrophobicContact CG2-CD1 4.31Å; T71-F73 HydrophobicContact CG2-CD2 4.09Å; T71-F73 HydrophobicContact CG2-CE1 3.86Å; T71-F73 HydrophobicContact CG2-CE2 3.62Å; T71-F73 HydrophobicContact CG2-CG 4.42Å; T71-F73 HydrophobicContact CG2-CZ 3.48Å; T71-F73 VanDerWaalsContact CG2-CZ 3.48Å; T71-F73 WeakPolarHBondContact O-CD2 3.49Å; T71-F73 PolarHBondContact O-N 3.36Å
74K95.9Very high94.8Very high9 Ų967.6 Ų67.64%0.03933%0.334CS..EExtended strand (participates in β ladder)trans-91.3124.6170.9-61.9158-171.2126.60108.5L6 L7 Y72 G179 G203 A206L6-K74 CarbonylContact C-O 3.6Å; L6-K74 WeakPolarHBondContact CA-O 3.24Å; L7-K74 HydrophobicContact CB-CB 4.22Å; L7-K74 HydrophobicContact CD2-CD 4.19Å; L7-K74 HydrophobicContact CG-CD 4.41Å; L7-K74 PolarHBondContact N-O 3.38Å; L7-K74 WeakPolarHBondContact O-CB 3.33Å; L7-K74 PolarHBondContact O-N 3.16Å; Y72-K74 HydrophobicContact CD1-CG 4.41Å; Y72-K74 HydrophobicContact CE1-CD 4.43Å; Y72-K74 HydrophobicContact CE1-CG 3.95Å; K74-G179 PolarHBondContact NZ-O 3.11Å; K74-G203 VanDerWaalsContact CE-CA 3.44Å; K74-G203 WeakPolarHBondContact CE-O 3.29Å; K74-A206 HydrophobicContact CD-CB 4.34Å
75M95.4Very high94.6Very high97 Ų9770.7 Ų70.748%0.47833%0.332SS..EExtended strand (participates in β ladder)trans-112.9122.8-171.7-64-179.3-80.600112.1V5 L6 M59 K210V5-M75 CarbonylContact O-C 3.53Å; V5-M75 WeakPolarHBondContact O-CA 3.28Å; L6-M75 HydrophobicContact CD2-CB 4.43Å; L6-M75 HydrophobicContact CD2-CG 3.6Å; L6-M75 HydrophobicContact CD2-SD 4.49Å; M59-M75 HydrophobicContact CE-SD 4.3Å; M59-M75 HydrophobicContact SD-SD 4.27Å; M75-K210 VanDerWaalsContact C-NZ 3.26Å; M75-K210 PolarHBondContact O-NZ 2.94Å
76D93.5Very high94.7Very high40 Ų4069.9 Ų69.921%0.21433%0.328CS..EExtended strand (participates in β ladder)trans-111.7139.3168.6-68.5-40.1000110.8R4 V5 K210 R229R4-D76 CarbonylContact C-O 3.17Å; R4-D76 WeakPolarHBondContact CA-O 3.14Å; R4-D76 VanDerWaalsContact CB-O 3.28Å; R4-D76 WeakPolarHBondContact CB-O 3.49Å; V5-D76 HydrophobicContact CB-CB 4.27Å; V5-D76 PolarHBondContact N-O 3.49Å; V5-D76 PolarHBondContact O-N 3.12Å; D76-K210 WeakPolarHBondContact OD1-CE 3.47Å; D76-K210 IonicContact OD1-NZ 2.75Å; D76-K210 PolarHBondContact OD1-NZ 2.83Å; D76-R229 IonicContact OD2-NH1 2.91Å; D76-R229 PolarHBondContact OD2-NH1 3.33Å; D76-R229 IonicContact OD2-NH2 3.29Å
77E93.6Very high94.7Very high105 Ų10566.9 Ų66.949%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-71.6145.9169.7-63.2-74.3152.300110.7M1 K52M1-E77 HydrophobicContact CB-CB 4.41Å; M1-E77 HydrophobicContact SD-CB 4.06Å; K52-E77 WeakPolarHBondContact CE-OE1 3.32Å; K52-E77 WeakPolarHBondContact CE-OE2 3.49Å; K52-E77 IonicContact NZ-OE1 3.24Å; K52-E77 PolarHBondContact NZ-OE1 2.93Å; K52-E77 IonicContact NZ-OE2 2.67Å; K52-E77 PolarHBondContact NZ-OE2 2.87Å
78S92.5Very high94.8Very high18 Ų1863 Ų6313%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-145.9150.7179-177.30000111.6M1 Y3 G80M1-S78 WeakPolarHBondContact CB-O 3.16Å; Y3-S78 CarbonylContact C-O 3.56Å; Y3-S78 WeakPolarHBondContact CB-O 3.2Å; Y3-S78 PolarHBondContact N-O 3.29Å; Y3-S78 PolarHBondContact O-N 2.9Å; S78-G80 VanDerWaalsContact C-N 3.27Å; S78-G80 WeakPolarHBondContact CB-O 3.41Å; S78-G80 PolarHBondContact O-N 2.82Å; S78-G80 PolarHBondContact OG-N 2.86Å; S78-G80 PolarHBondContact OG-O 3.48Å
79E91.5Very high94.8Very high167 Ų16767.7 Ų67.778%0.7832%0.318SS*.SBendtrans-72.5-22.6176.5-65.3-173.2167.800113M1M1-E79 HydrophobicContact CE-CG 3.71Å; M1-E79 HydrophobicContact CG-CG 4.29Å; M1-E79 HydrophobicContact SD-CG 4.2Å
80G94.2Very high94.8Very high24 Ų2465.4 Ų65.425%0.24731%0.313CS..SBendtrans-164.3-162.3178.200000111.4S78 A82S78-G80 VanDerWaalsContact C-N 3.27Å; S78-G80 WeakPolarHBondContact CB-O 3.41Å; S78-G80 PolarHBondContact O-N 2.82Å; S78-G80 PolarHBondContact OG-N 2.86Å; S78-G80 PolarHBondContact OG-O 3.48Å; G80-A82 PolarHBondContact O-N 3.36Å
81H95.6Very high94.9Very high45 Ų4564.5 Ų64.521%0.20830%0.299CS..  trans-62.1130.6171.8-78.1-69.3000112.1Y3 D32 K34 S49 F83Y3-H81 AromaticContact CE1-CD2 3.61Å; Y3-H81 AromaticContact CE1-CE1 3.87Å; Y3-H81 AromaticContact CE1-CG 4Å; Y3-H81 AromaticContact CE1-NE2 3.56Å; D32-H81 PolarHBondContact O-CE1 3.21Å; D32-H81 PolarHBondContact O-NE2 2.92Å; K34-H81 HydrophobicContact CD-CB 4.1Å; S49-H81 PolarHBondContact O-CE1 3.38Å; S49-H81 PolarHBondContact O-ND1 2.73Å; S49-H81 WeakPolarHBondContact OG-CA 3.23Å; S49-H81 PolarHBondContact OG-ND1 3.39Å; H81-F83 PolarHBondContact O-N 2.87Å
82A93.6Very high94.8Very high3 Ų373.2 Ų73.23%0.02534%0.336CS..SBendtrans-79.5-4.9171.300000112.6V5 S49 G80 D227 E228 R229V5-A82 HydrophobicContact CG2-CB 3.7Å; S49-A82 PolarHBondContact OG-N 3Å; S49-A82 VanDerWaalsContact OG-N 3.15Å; G80-A82 PolarHBondContact O-N 3.36Å; A82-D227 HydrophobicContact CB-CB 4.19Å; A82-D227 WeakPolarHBondContact O-CB 3.42Å; A82-E228 VanDerWaalsContact O-CB 3.25Å; A82-E228 WeakPolarHBondContact O-CB 3.33Å; A82-E228 VanDerWaalsContact O-CG 3.24Å; A82-E228 WeakPolarHBondContact O-CG 3.42Å; A82-E228 PolarHBondContact O-N 3.17Å; A82-R229 HydrophobicContact CB-CG 4.43Å
83F94Very high94.7Very high19 Ų1968.7 Ų68.78%0.08332%0.32CS..  trans-128.1138.4-177.7-64.4-93.2000111.2K34 R36 T47 H81 D227K34-F83 HydrophobicContact CB-CB 3.87Å; K34-F83 WeakPolarHBondContact CD-O 3.39Å; R36-F83 HydrophobicContact CB-CE1 4.36Å; T47-F83 HydrophobicContact CG2-CE2 3.93Å; T47-F83 HydrophobicContact CG2-CZ 3.62Å; T47-F83 WeakPolarHBondContact O-CE2 3.47Å; T47-F83 WeakPolarHBondContact O-CZ 3.42Å; H81-F83 PolarHBondContact O-N 2.87Å; F83-D227 HydrophobicContact CD1-CB 4.13Å; F83-D227 HydrophobicContact CD2-CB 4.34Å; F83-D227 HydrophobicContact CE1-CB 3.6Å; F83-D227 HydrophobicContact CE2-CB 3.85Å; F83-D227 HydrophobicContact CG-CB 4.47Å; F83-D227 HydrophobicContact CZ-CB 3.44Å; F83-D227 VanDerWaalsContact CZ-CB 3.44Å
84K90Very high94.6Very high148 Ų14868 Ų6864%0.64332%0.317SS*.SBendtrans-69-36.8173.5-73.2175.8175127.50113.1E228K84-E228 VanDerWaalsContact CD-OE1 3.29Å; K84-E228 WeakPolarHBondContact CD-OE1 3.46Å; K84-E228 VanDerWaalsContact CE-OE2 3.28Å; K84-E228 WeakPolarHBondContact CE-OE2 3.21Å; K84-E228 HydrophobicContact CG-CG 4.23Å; K84-E228 WeakPolarHBondContact CG-OE1 3.48Å; K84-E228 VanDerWaalsContact NZ-CD 3.29Å; K84-E228 IonicContact NZ-OE1 2.67Å; K84-E228 PolarHBondContact NZ-OE1 3.25Å; K84-E228 VanDerWaalsContact NZ-OE1 3.15Å; K84-E228 IonicContact NZ-OE2 3.13Å; K84-E228 PolarHBondContact NZ-OE2 3.32Å
85K93.2Very high94.4Very high145 Ų14568.3 Ų68.363%0.6332%0.319SS*.SBendtrans-140.8159-173.7-64.6-177.8-178.9177.20110.8G35 F87G35-K85 PolarHBondContact N-O 3.49Å; K85-F87 HydrophobicContact CB-CE2 4.15Å; K85-F87 HydrophobicContact CB-CZ 4.3Å
86L96.9Very high94.1Very high26 Ų2665.8 Ų65.814%0.13631%0.314CS..  trans-90.5131.3169.3179.964.7000110.8L25 C28 R29 I33 G35 V88L25-L86 HydrophobicContact CD1-CD2 3.66Å; L25-L86 HydrophobicContact CD1-CG 3.88Å; C28-L86 HydrophobicContact CB-CD1 4.17Å; C28-L86 HydrophobicContact CB-CD2 3.41Å; C28-L86 VanDerWaalsContact CB-CD2 3.41Å; C28-L86 HydrophobicContact CB-CG 4.42Å; R29-L86 HydrophobicContact CG-CD2 3.92Å; I33-L86 HydrophobicContact CG2-CD1 4.48Å; G35-L86 CarbonylContact O-C 3.31Å; G35-L86 WeakPolarHBondContact O-CA 3.45Å; L86-V88 HydrophobicContact CD1-CG2 4.2Å; L86-V88 HydrophobicContact CG-CG2 4.33Å
87F95.8Very high94Very high76 Ų7664 Ų6433%0.33330%0.304SS..EExtended strand (participates in β ladder)trans-125.1125166.8-62.9-71.6000109.1G35 R36 I37 K85 R89G35-F87 PolarHBondContact O-N 2.96Å; R36-F87 CarbonylContact C-O 3.51Å; R36-F87 WeakPolarHBondContact CA-O 3.33Å; I37-F87 PolarHBondContact N-O 3.42Å; K85-F87 HydrophobicContact CB-CE2 4.15Å; K85-F87 HydrophobicContact CB-CZ 4.3Å; F87-R89 HydrophobicContact CB-CG 4.41Å
88V97.5Very high93.8Very high14 Ų1464 Ų649%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-120119.3163-172.40000106.1A21 H24 L25 I37 V39 L86A21-V88 HydrophobicContact CB-CG1 3.95Å; A21-V88 WeakPolarHBondContact O-CG1 3.21Å; H24-V88 HydrophobicContact CB-CG1 4.28Å; L25-V88 HydrophobicContact CB-CB 3.98Å; L25-V88 HydrophobicContact CB-CG2 3.99Å; L25-V88 HydrophobicContact CD1-CB 4.13Å; L25-V88 HydrophobicContact CD1-CG2 3.79Å; I37-V88 HydrophobicContact CB-CB 4.47Å; I37-V88 HydrophobicContact CB-CG1 4.18Å; I37-V88 HydrophobicContact CB-CG2 4.14Å; I37-V88 HydrophobicContact CD1-CG2 4.18Å; I37-V88 HydrophobicContact CG2-CG1 4.24Å; I37-V88 CarbonylContact O-C 3.59Å; I37-V88 VanDerWaalsContact O-CA 3.27Å; I37-V88 WeakPolarHBondContact O-CA 3.19Å; V39-V88 HydrophobicContact CG2-CG1 4.05Å; L86-V88 HydrophobicContact CD1-CG2 4.2Å; L86-V88 HydrophobicContact CG-CG2 4.33Å
89R96.6Very high93.6Very high101 Ų10164.6 Ų64.638%0.38131%0.306SS..EExtended strand (participates in β ladder)trans-132.9129.2-170-64.1-175.4-178-176.5-0111.4I37 L38 V39 F87I37-R89 PolarHBondContact O-N 2.88Å; L38-R89 WeakPolarHBondContact CA-O 3.38Å; L38-R89 HydrophobicContact CD2-CB 4.25Å; V39-R89 PolarHBondContact N-O 3.43Å; F87-R89 HydrophobicContact CB-CG 4.41Å
90P97.2Very high93.3Very high49 Ų4966.5 Ų66.532%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-67.5143166.929.6-32.9000109.9P17 E18 A21 V39P17-P90 HydrophobicContact CB-CB 4.39Å; E18-P90 HydrophobicContact CG-CB 4.04Å; E18-P90 HydrophobicContact CG-CG 4.11Å; A21-P90 HydrophobicContact CB-CB 4.48Å; V39-P90 CarbonylContact O-C 2.89Å; V39-P90 VanDerWaalsContact O-CA 3.26Å; V39-P90 WeakPolarHBondContact O-CA 3.28Å
91R96.4Very high93Very high115 Ų11572.4 Ų72.443%0.43434%0.336SS..  trans-142.6162.8177.9-67.8-64.1178.8-114.919.6109.4L38 V39 A40 E93L38-R91 HydrophobicContact CB-CG 4.47Å; L38-R91 HydrophobicContact CD2-CG 4.03Å; V39-R91 PolarHBondContact O-N 2.9Å; A40-R91 WeakPolarHBondContact CA-O 3.46Å; A40-R91 WeakPolarHBondContact CB-O 3.4Å; R91-E93 VanDerWaalsContact CB-O 3.28Å; R91-E93 WeakPolarHBondContact CB-O 3.23Å
92K94.1Very high92.8Very high191 Ų19173.5 Ų73.583%0.8334%0.343SS*.SBendtrans-71.6-39.2171.9-64.4-174.8178.4-176.90111.2
93E93.7Very high92.7Very high31 Ų3173.5 Ų73.515%0.14534%0.343CS..  trans-134150.4179-61.8176.269.900110E42 R91 V95 H98 K185E42-E93 WeakPolarHBondContact OE1-CA 3.42Å; R91-E93 VanDerWaalsContact CB-O 3.28Å; R91-E93 WeakPolarHBondContact CB-O 3.23Å; E93-V95 VanDerWaalsContact C-N 3.35Å; E93-V95 WeakPolarHBondContact CB-O 3.44Å; E93-H98 IonicContact OE2-CD2 2.78Å; E93-H98 PolarHBondContact OE2-CD2 3.27Å; E93-H98 PolarHBondContact OE2-N 2.93Å; E93-K185 IonicContact OE1-NZ 3.9Å; E93-K185 PolarHBondContact OE1-NZ 3.27Å
94L94.5Very high92.8Very high4 Ų474.3 Ų74.32%0.02135%0.348CS..SBendtrans-70.8-33.4172.6-63.7179.8000112.1Y11 L38 A40 E42 G43 N45 I181Y11-L94 HydrophobicContact CD1-CD1 4.24Å; Y11-L94 HydrophobicContact CE1-CD1 4.03Å; L38-L94 HydrophobicContact CB-CD2 4.37Å; L38-L94 WeakPolarHBondContact O-CD2 3.48Å; A40-L94 HydrophobicContact CB-CD2 3.81Å; A40-L94 HydrophobicContact CB-CG 4.04Å; E42-L94 HydrophobicContact CG-CD1 4.11Å; E42-L94 HydrophobicContact CG-CG 3.84Å; E42-L94 WeakPolarHBondContact OE1-CB 3.31Å; E42-L94 PolarHBondContact OE1-N 3.16Å; G43-L94 WeakPolarHBondContact O-CD2 3.35Å; N45-L94 HydrophobicContact CB-CB 4.08Å; N45-L94 HydrophobicContact CB-CD1 4.39Å; N45-L94 HydrophobicContact CB-CD2 4Å; N45-L94 HydrophobicContact CB-CG 4.39Å; L94-I181 HydrophobicContact CB-CD1 3.9Å; L94-I181 HydrophobicContact CD1-CD1 4.39Å
95V92.8Very high93Very high16 Ų1667.7 Ų67.710%0.09732%0.32CS..SBendtrans-131.6121.9172.3-78.30000108.9E93 L97 F154 I181 R182 K185E93-V95 VanDerWaalsContact C-N 3.35Å; E93-V95 WeakPolarHBondContact CB-O 3.44Å; V95-L97 PolarHBondContact O-N 2.75Å; V95-F154 HydrophobicContact CB-CE1 4.28Å; V95-F154 HydrophobicContact CG2-CE1 4.46Å; V95-I181 HydrophobicContact CG1-CB 4.45Å; V95-I181 HydrophobicContact CG1-CD1 3.97Å; V95-I181 HydrophobicContact CG1-CG1 3.94Å; V95-I181 HydrophobicContact CG1-CG2 3.83Å; V95-I181 HydrophobicContact CG2-CG1 4.39Å; V95-R182 HydrophobicContact CG1-CG 3.98Å; V95-K185 HydrophobicContact CG2-CD 4.02Å; V95-K185 HydrophobicContact CG2-CG 4.33Å
96A89.2Confident93Very high44 Ų4466.8 Ų66.836%0.36431%0.313SS..  trans-77.483.8-174.400000111.4
97L90.5Very high92.9Very high2 Ų273.2 Ų73.21%0.0134%0.342CS..  trans-90.7-26172.8-168.756.2000111.6V95 L99 F154 P158 K185V95-L97 PolarHBondContact O-N 2.75Å; L97-L99 HydrophobicContact CB-CG 4.45Å; L97-L99 HydrophobicContact CD2-CD1 3.76Å; L97-L99 HydrophobicContact CD2-CD2 4.1Å; L97-L99 HydrophobicContact CD2-CG 3.86Å; L97-L99 HydrophobicContact CG-CD1 4.3Å; L97-L99 HydrophobicContact CG-CD2 3.93Å; L97-L99 HydrophobicContact CG-CG 3.83Å; L97-L99 PolarHBondContact O-N 2.88Å; L97-F154 HydrophobicContact CB-CD1 4.41Å; L97-F154 HydrophobicContact CB-CE1 3.89Å; L97-F154 HydrophobicContact CD1-CD1 4.02Å; L97-F154 HydrophobicContact CD1-CE1 3.66Å; L97-F154 HydrophobicContact CD1-CE2 4.21Å; L97-F154 HydrophobicContact CD1-CG 4.46Å; L97-F154 HydrophobicContact CD1-CZ 3.75Å; L97-F154 HydrophobicContact CD2-CE1 4.36Å; L97-F154 HydrophobicContact CD2-CZ 4.27Å; L97-F154 HydrophobicContact CG-CE1 4.17Å; L97-F154 HydrophobicContact CG-CZ 4.42Å; L97-P158 HydrophobicContact CD1-CG 3.56Å; L97-P158 HydrophobicContact CG-CG 4.21Å; L97-K185 HydrophobicContact CD2-CB 3.96Å
98H89.2Confident93Very high106 Ų10672.3 Ų72.349%0.49134%0.341SS..  trans56.142.8174.4-59.6177.9000114E93E93-H98 IonicContact OE2-CD2 2.78Å; E93-H98 PolarHBondContact OE2-CD2 3.27Å; E93-H98 PolarHBondContact OE2-N 2.93Å
99L88.7Confident92.9Very high31 Ų3173.2 Ų73.216%0.16235%0.346CS..  trans-68.9147.2173.8-59.7177.2000110.8L97 E101 I103 P158 W189L97-L99 HydrophobicContact CB-CG 4.45Å; L97-L99 HydrophobicContact CD2-CD1 3.76Å; L97-L99 HydrophobicContact CD2-CD2 4.1Å; L97-L99 HydrophobicContact CD2-CG 3.86Å; L97-L99 HydrophobicContact CG-CD1 4.3Å; L97-L99 HydrophobicContact CG-CD2 3.93Å; L97-L99 HydrophobicContact CG-CG 3.83Å; L97-L99 PolarHBondContact O-N 2.88Å; L99-E101 VanDerWaalsContact C-N 3.35Å; L99-E101 WeakPolarHBondContact CB-O 3.17Å; L99-I103 HydrophobicContact CD1-CB 4.47Å; L99-I103 HydrophobicContact CD1-CG1 3.75Å; L99-P158 HydrophobicContact CD2-CB 4.43Å; L99-P158 HydrophobicContact CD2-CG 4Å; L99-W189 HydrophobicContact CD1-CB 4.13Å; L99-W189 HydrophobicContact CD1-CG 4.15Å; L99-W189 HydrophobicContact CD2-CG 4.19Å
100E85.4Confident92.8Very high207 Ų20768.5 Ų68.597%0.96733%0.329SS*.SBendtrans-59.8-46.8173.7-66178.1178.900111.2
101E88Confident92.8Very high147 Ų14771.4 Ų71.469%0.68734%0.342SS*.SBendtrans-112.2114167-66.8-174.4175.600108.3L99 R192L99-E101 VanDerWaalsContact C-N 3.35Å; L99-E101 WeakPolarHBondContact CB-O 3.17Å; E101-R192 PolarHBondContact O-NH1 3.38Å
102D91.1Very high92.9Very high69 Ų6970.9 Ų70.937%0.36934%0.341SS..  trans-66.5161.6-178.1-155.91.2000112.2K185 R192D102-K185 IonicContact OD1-NZ 3.33Å; D102-K185 PolarHBondContact OD1-NZ 3.42Å; D102-K185 IonicContact OD2-NZ 2.95Å; D102-K185 PolarHBondContact OD2-NZ 3.25Å; D102-R192 PolarHBondContact O-NH2 2.92Å
103I93.1Very high93Very high2 Ų262.8 Ų62.81%0.0131%0.306CS..  trans-105.7127.1175.8-68.7-84.9000107.7L99 P105 L108 W189 R192L99-I103 HydrophobicContact CD1-CB 4.47Å; L99-I103 HydrophobicContact CD1-CG1 3.75Å; I103-P105 VanDerWaalsContact O-CD 3.27Å; I103-P105 WeakPolarHBondContact O-CD 2.93Å; I103-L108 HydrophobicContact CD1-CD2 3.96Å; I103-L108 WeakPolarHBondContact CG2-O 3.33Å; I103-W189 HydrophobicContact CD1-CB 4.49Å; I103-W189 HydrophobicContact CG1-CB 4.15Å; I103-R192 HydrophobicContact CD1-CB 4.42Å
104D94.7Very high93.2Very high37 Ų3766.3 Ų66.320%0.19832%0.323CS..  trans-89.1106.8165.9-176.4-6.7000108.9R106 Q107 L108D104-R106 PolarHBondContact O-N 2.93Å; D104-R106 VanDerWaalsContact O-N 3.08Å; D104-R106 VanDerWaalsContact OD1-CB 3.26Å; D104-R106 WeakPolarHBondContact OD1-CB 3.2Å; D104-R106 WeakPolarHBondContact OD1-CG 3.4Å; D104-R106 IonicContact OD1-CZ 3.19Å; D104-R106 PolarHBondContact OD1-N 3.35Å; D104-R106 IonicContact OD1-NE 2.57Å; D104-R106 PolarHBondContact OD1-NE 2.94Å; D104-R106 IonicContact OD1-NH2 3Å; D104-R106 IonicContact OD2-CZ 2.99Å; D104-R106 IonicContact OD2-NE 3.4Å; D104-R106 PolarHBondContact OD2-NE 3.34Å; D104-R106 IonicContact OD2-NH2 2.85Å; D104-R106 PolarHBondContact OD2-NH2 2.71Å; D104-Q107 HydrophobicContact CB-CB 4.42Å; D104-Q107 HydrophobicContact CB-CG 4.23Å; D104-Q107 PolarHBondContact O-N 3.03Å; D104-Q107 PolarHBondContact OD2-NE2 2.98Å; D104-L108 PolarHBondContact O-N 2.79Å
105P94.3Very high93.4Very high8 Ų866.4 Ų66.45%0.05232%0.323CS..THydrogen-bonded Turntrans-65.5-15.1-176.9-22.337000113.8Y11 I103 Q107 E184 K185Y11-P105 HydrophobicContact CD1-CG 4.02Å; Y11-P105 HydrophobicContact CD2-CB 4.17Å; Y11-P105 HydrophobicContact CD2-CG 4.14Å; Y11-P105 HydrophobicContact CE1-CG 3.8Å; Y11-P105 HydrophobicContact CE2-CB 4.28Å; Y11-P105 HydrophobicContact CE2-CG 3.95Å; Y11-P105 HydrophobicContact CG-CB 4.4Å; Y11-P105 HydrophobicContact CG-CG 4.18Å; I103-P105 VanDerWaalsContact O-CD 3.27Å; I103-P105 WeakPolarHBondContact O-CD 2.93Å; P105-Q107 PolarHBondContact O-N 3.48Å; P105-E184 HydrophobicContact CB-CB 3.83Å; P105-E184 HydrophobicContact CG-CB 4.01Å; P105-K185 HydrophobicContact CG-CG 3.8Å
106R94.2Very high93.5Very high127 Ų12768.7 Ų68.748%0.47933%0.333SS..THydrogen-bonded Turntrans-71.4-20.7173.2-54.9171.4-64.4-178.40.9112.2Y11 T13 D104Y11-R106 WeakPolarHBondContact O-CD 3.43Å; T13-R106 PolarHBondContact OG1-NH1 3.43Å; D104-R106 PolarHBondContact O-N 2.93Å; D104-R106 VanDerWaalsContact O-N 3.08Å; D104-R106 VanDerWaalsContact OD1-CB 3.26Å; D104-R106 WeakPolarHBondContact OD1-CB 3.2Å; D104-R106 WeakPolarHBondContact OD1-CG 3.4Å; D104-R106 IonicContact OD1-CZ 3.19Å; D104-R106 PolarHBondContact OD1-N 3.35Å; D104-R106 IonicContact OD1-NE 2.57Å; D104-R106 PolarHBondContact OD1-NE 2.94Å; D104-R106 IonicContact OD1-NH2 3Å; D104-R106 IonicContact OD2-CZ 2.99Å; D104-R106 IonicContact OD2-NE 3.4Å; D104-R106 PolarHBondContact OD2-NE 3.34Å; D104-R106 IonicContact OD2-NH2 2.85Å; D104-R106 PolarHBondContact OD2-NH2 2.71Å
107Q95Very high93.9Very high161 Ų16168.3 Ų68.375%0.75233%0.33SS*.THydrogen-bonded Turntrans-107.4-39-178.6-60.3-179.732.600111.9D104 P105D104-Q107 HydrophobicContact CB-CB 4.42Å; D104-Q107 HydrophobicContact CB-CG 4.23Å; D104-Q107 PolarHBondContact O-N 3.03Å; D104-Q107 PolarHBondContact OD2-NE2 2.98Å; P105-Q107 PolarHBondContact O-N 3.48Å
108L96Very high94.3Very high57 Ų5768.2 Ų68.230%0.29833%0.33SS..SBendtrans-141.6111.8-176.4-173.666.4000110.6I103 D104 G188 I191 R192I103-L108 HydrophobicContact CD1-CD2 3.96Å; I103-L108 WeakPolarHBondContact CG2-O 3.33Å; D104-L108 PolarHBondContact O-N 2.79Å; L108-G188 WeakPolarHBondContact CD2-O 3.15Å; L108-I191 HydrophobicContact CD1-CB 4.25Å; L108-I191 HydrophobicContact CD1-CD1 4.19Å; L108-I191 HydrophobicContact CD1-CG2 3.88Å; L108-R192 HydrophobicContact CD2-CB 4.37Å
109T96.2Very high94.5Very high33 Ų3365.9 Ų65.920%0.20232%0.316CS..  trans-151.5157.1176.3-164.70000108.2Y112 E184 S187 Q200T109-Y112 HydrophobicContact CG2-CE2 4.15Å; T109-E184 PolarHBondContact OG1-O 2.98Å; T109-E184 PolarHBondContact OG1-OE2 3.38Å; T109-S187 PolarHBondContact OG1-OG 3.25Å; T109-Q200 PolarHBondContact OG1-NE2 3.48Å
110G95Very high94.8Very high2 Ų269.6 Ų69.62%0.02133%0.333CS..PPolyproline II helixtrans-70.7160.4178.300000112.9Y112 S187 Q200G110-Y112 PolarHBondContact O-N 3.04Å; G110-S187 PolarHBondContact N-OG 2.89Å; G110-Q200 PolarHBondContact O-NE2 3.38Å; G110-Q200 VanDerWaalsContact O-NE2 3.07Å
111N97Very high95.1Very high109 Ų10960 Ų6058%0.58329%0.289SS*.EExtended strand (participates in β ladder)trans-58.4136.9177.6-70.2-45.6000111.3V198 A199 Q200N111-V198 PolarHBondContact N-O 3.07Å; N111-A199 HydrophobicContact CB-CB 4.13Å; N111-A199 CarbonylContact O-C 3.49Å; N111-A199 WeakPolarHBondContact O-CA 3.08Å; N111-A199 VanDerWaalsContact O-CB 3.3Å; N111-A199 WeakPolarHBondContact O-CB 3.25Å; N111-Q200 PolarHBondContact O-N 3.32Å
112Y97.6Very high95.2Very high105 Ų10554.1 Ų54.141%0.41226%0.262SS..EExtended strand (participates in β ladder)trans-80.6122.4177.3-65.3-75.6000110.9T109 G110 E184 Q200 H202T109-Y112 HydrophobicContact CG2-CE2 4.15Å; G110-Y112 PolarHBondContact O-N 3.04Å; Y112-E184 PolarHBondContact OH-OE1 3.09Å; Y112-E184 PolarHBondContact OH-OE2 3.35Å; Y112-Q200 HydrophobicContact CD1-CG 4Å; Y112-Q200 HydrophobicContact CE1-CG 4.29Å; Y112-H202 HydrophobicContact CD1-CB 4.14Å; Y112-H202 AromaticContact CD1-CD2 3.73Å
113L97.9Very high95.1Very high20 Ų2055.9 Ų55.911%0.10527%0.271CS..EExtended strand (participates in β ladder)trans-97118.6166.8-58.6-173.9000109.2A117 F118 A121 V174 A199 Q200 H202L113-A117 HydrophobicContact CB-CB 4.32Å; L113-A117 HydrophobicContact CD2-CB 4.34Å; L113-F118 HydrophobicContact CB-CB 4.12Å; L113-A121 HydrophobicContact CD1-CB 3.88Å; L113-V174 HydrophobicContact CD1-CG1 3.79Å; L113-V174 HydrophobicContact CD1-CG2 3.92Å; L113-A199 HydrophobicContact CD1-CB 4.02Å; L113-A199 HydrophobicContact CD2-CB 4.19Å; L113-A199 HydrophobicContact CG-CB 3.82Å; L113-Q200 PolarHBondContact N-O 2.92Å; L113-H202 WeakPolarHBondContact O-CB 3.41Å; L113-H202 PolarHBondContact O-N 2.9Å
114E97.6Very high94.8Very high106 Ų10659.2 Ų59.250%0.49529%0.289SS..PPolyproline II helixtrans-61.8155.7166-68.9-57.9144.900110.5Q116 A117 F118 H202E114-Q116 VanDerWaalsContact C-N 3.25Å; E114-Q116 PolarHBondContact O-N 3.02Å; E114-A117 PolarHBondContact O-N 3.4Å; E114-F118 PolarHBondContact O-N 2.59Å; E114-H202 IonicContact OE1-CE1 3.93Å; E114-H202 IonicContact OE1-CG 2.74Å; E114-H202 IonicContact OE1-ND1 3.62Å; E114-H202 PolarHBondContact OE1-ND1 3.46Å; E114-H202 IonicContact OE2-ND1 2.67Å
115P97.2Very high94.4Very high5 Ų565.8 Ų65.83%0.03232%0.319CS..Hα-helixtrans-49.2-41-173.3-32.837.2000115.1F118 R119 Y208 N211 T214P115-F118 PolarHBondContact O-N 2.85Å; P115-R119 PolarHBondContact O-N 2.74Å; P115-Y208 HydrophobicContact CB-CD2 3.84Å; P115-Y208 HydrophobicContact CB-CE2 4.43Å; P115-Y208 VanDerWaalsContact O-CE2 3.32Å; P115-Y208 WeakPolarHBondContact O-CE2 3.24Å; P115-N211 HydrophobicContact CB-CB 3.74Å; P115-N211 HydrophobicContact CG-CB 3.92Å; P115-T214 HydrophobicContact CB-CG2 3.97Å; P115-T214 WeakPolarHBondContact O-CG2 3.27Å
116Q96.4Very high94.1Very high64 Ų6471 Ų7130%0.29935%0.346SS..Hα-helixtrans-65.6-44.7177.4179.758.732.400112.6E114 F118 R119 E120E114-Q116 VanDerWaalsContact C-N 3.25Å; E114-Q116 PolarHBondContact O-N 3.02Å; Q116-F118 VanDerWaalsContact C-N 3.32Å; Q116-F118 PolarHBondContact O-N 3.25Å; Q116-R119 WeakPolarHBondContact O-CB 3.49Å; Q116-R119 PolarHBondContact O-N 3.37Å; Q116-E120 PolarHBondContact NE2-OE1 3.15Å; Q116-E120 PolarHBondContact O-N 2.72Å; Q116-E120 VanDerWaalsContact O-N 3.1Å
117A97.4Very high93.9Very high37 Ų3765.8 Ų65.831%0.30633%0.328SS..Hα-helixtrans-67.5-34.7177.400000111.5L113 E114 E120 A121L113-A117 HydrophobicContact CB-CB 4.32Å; L113-A117 HydrophobicContact CD2-CB 4.34Å; E114-A117 PolarHBondContact O-N 3.4Å; A117-E120 PolarHBondContact O-N 3.47Å; A117-A121 WeakPolarHBondContact O-CB 3.13Å; A117-A121 PolarHBondContact O-N 2.87Å
118F97.5Very high93.7Very high0 Ų058.6 Ų58.60%030%0.295CS..Hα-helixtrans-65.5-39.4172.9179.9-96.6000112L113 E114 P115 Q116 E120 A121 L122 V129 F143 V174 Y176 L201 Y208L113-F118 HydrophobicContact CB-CB 4.12Å; E114-F118 PolarHBondContact O-N 2.59Å; P115-F118 PolarHBondContact O-N 2.85Å; Q116-F118 VanDerWaalsContact C-N 3.32Å; Q116-F118 PolarHBondContact O-N 3.25Å; F118-E120 VanDerWaalsContact C-N 3.3Å; F118-E120 PolarHBondContact O-N 3.16Å; F118-A121 PolarHBondContact O-N 3.21Å; F118-L122 HydrophobicContact CD1-CD1 3.83Å; F118-L122 HydrophobicContact CD1-CG 4.23Å; F118-L122 HydrophobicContact CE1-CD1 3.45Å; F118-L122 VanDerWaalsContact CE1-CD1 3.45Å; F118-L122 HydrophobicContact CE1-CD2 4.34Å; F118-L122 HydrophobicContact CE1-CG 3.83Å; F118-L122 HydrophobicContact CZ-CD1 4.22Å; F118-L122 HydrophobicContact CZ-CD2 4.32Å; F118-L122 HydrophobicContact CZ-CG 4.16Å; F118-L122 PolarHBondContact O-N 3.14Å; F118-V129 HydrophobicContact CE2-CG1 3.99Å; F118-V129 HydrophobicContact CZ-CG1 3.89Å; F118-F143 HydrophobicContact CD1-CZ 4.47Å; F118-F143 HydrophobicContact CE1-CD1 4.16Å; F118-F143 AromaticContact CE1-CD2 3.65Å; F118-F143 HydrophobicContact CE1-CD2 3.65Å; F118-F143 HydrophobicContact CE1-CE1 4.01Å; F118-F143 AromaticContact CE1-CE2 3.48Å; F118-F143 HydrophobicContact CE1-CE2 3.48Å; F118-F143 VanDerWaalsContact CE1-CE2 3.48Å; F118-F143 AromaticContact CE1-CG 4Å; F118-F143 HydrophobicContact CE1-CG 4Å; F118-F143 AromaticContact CE1-CZ 3.68Å; F118-F143 HydrophobicContact CE1-CZ 3.68Å; F118-F143 AromaticContact CZ-CD2 3.72Å; F118-F143 HydrophobicContact CZ-CD2 3.72Å; F118-F143 AromaticContact CZ-CE2 3.79Å; F118-F143 HydrophobicContact CZ-CE2 3.79Å; F118-F143 HydrophobicContact CZ-CG 4.33Å; F118-F143 HydrophobicContact CZ-CZ 4.44Å; F118-V174 HydrophobicContact CD2-CG1 3.57Å; F118-V174 HydrophobicContact CE2-CG1 3.57Å; F118-Y176 HydrophobicContact CE2-CD1 4.48Å; F118-Y176 HydrophobicContact CZ-CD1 4.05Å; F118-Y176 HydrophobicContact CZ-CG 4.21Å; F118-L201 HydrophobicContact CB-CD1 3.71Å; F118-L201 HydrophobicContact CD1-CD1 4.01Å; F118-L201 HydrophobicContact CD1-CD2 4.12Å; F118-L201 HydrophobicContact CD1-CG 4.49Å; F118-L201 HydrophobicContact CD2-CB 3.71Å; F118-L201 HydrophobicContact CD2-CD1 4.16Å; F118-L201 HydrophobicContact CD2-CG 4.33Å; F118-L201 HydrophobicContact CE1-CD2 4Å; F118-L201 HydrophobicContact CE2-CB 3.87Å; F118-L201 HydrophobicContact CE2-CD2 4.44Å; F118-L201 HydrophobicContact CG-CB 4.15Å; F118-L201 HydrophobicContact CG-CD1 3.7Å; F118-L201 HydrophobicContact CG-CD2 4.37Å; F118-L201 HydrophobicContact CG-CG 4.27Å; F118-L201 HydrophobicContact CZ-CB 4.41Å; F118-L201 HydrophobicContact CZ-CD2 4.18Å; F118-Y208 AromaticContact CD1-CD2 3.78Å; F118-Y208 HydrophobicContact CD1-CD2 3.78Å; F118-Y208 AromaticContact CD1-CE2 3.65Å; F118-Y208 HydrophobicContact CD1-CE2 3.65Å; F118-Y208 HydrophobicContact CE1-CD2 4.46Å; F118-Y208 HydrophobicContact CE1-CE2 4.39Å
119R94.9Very high93.6Very high57 Ų5756.2 Ų56.222%0.21528%0.283CS..Hα-helixtrans-60.4-40.6173.6-176.7-167.3174.1-71.7-4.4111.8P115 Q116 Y208 T214 E217 L218P115-R119 PolarHBondContact O-N 2.74Å; Q116-R119 WeakPolarHBondContact O-CB 3.49Å; Q116-R119 PolarHBondContact O-N 3.37Å; R119-Y208 HydrophobicContact CB-CE2 4.18Å; R119-T214 HydrophobicContact CB-CG2 4.12Å; R119-E217 IonicContact CZ-OE2 3.66Å; R119-E217 VanDerWaalsContact CZ-OE2 3.24Å; R119-E217 IonicContact NE-OE2 3.2Å; R119-E217 PolarHBondContact NE-OE2 2.87Å; R119-E217 IonicContact NH2-OE1 3.18Å; R119-E217 PolarHBondContact NH2-OE1 3.47Å; R119-E217 IonicContact NH2-OE2 3.62Å; R119-E217 PolarHBondContact NH2-OE2 3.03Å; R119-L218 HydrophobicContact CG-CD1 4.21Å
120E93.9Very high93.6Very high108 Ų10854.7 Ų54.751%0.50527%0.274SS..Hα-helixtrans-66.5-42.7175.3-71.1162.2-162.200111.2Q116 A117 F118 L122 L123 D124Q116-E120 PolarHBondContact NE2-OE1 3.15Å; Q116-E120 PolarHBondContact O-N 2.72Å; Q116-E120 VanDerWaalsContact O-N 3.1Å; A117-E120 PolarHBondContact O-N 3.47Å; F118-E120 VanDerWaalsContact C-N 3.3Å; F118-E120 PolarHBondContact O-N 3.16Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.36Å; E120-L123 PolarHBondContact O-N 3.08Å; E120-L123 VanDerWaalsContact O-N 3.07Å; E120-D124 PolarHBondContact O-N 3.38Å
121A92.9Very high93.7Very high7 Ų754.6 Ų54.66%0.05827%0.273CS..Hα-helixtrans-63.7-31.7176.300000113.7L113 A117 F118 L123 D124 T127 V174L113-A121 HydrophobicContact CD1-CB 3.88Å; A117-A121 WeakPolarHBondContact O-CB 3.13Å; A117-A121 PolarHBondContact O-N 2.87Å; F118-A121 PolarHBondContact O-N 3.21Å; A121-L123 PolarHBondContact O-N 2.9Å; A121-D124 PolarHBondContact O-N 2.95Å; A121-T127 HydrophobicContact CB-CG2 4.19Å; A121-T127 WeakPolarHBondContact O-CB 3.49Å; A121-T127 WeakPolarHBondContact O-CG2 3.48Å; A121-V174 HydrophobicContact CB-CG2 4.24Å
122L89.7Confident93.6Very high23 Ų2349.4 Ų49.412%0.1225%0.245CC..THydrogen-bonded Turntrans-63.7-24.3172.8-84.1168.3000113.5F118 E120 V129 F143 L218F118-L122 HydrophobicContact CD1-CD1 3.83Å; F118-L122 HydrophobicContact CD1-CG 4.23Å; F118-L122 HydrophobicContact CE1-CD1 3.45Å; F118-L122 VanDerWaalsContact CE1-CD1 3.45Å; F118-L122 HydrophobicContact CE1-CD2 4.34Å; F118-L122 HydrophobicContact CE1-CG 3.83Å; F118-L122 HydrophobicContact CZ-CD1 4.22Å; F118-L122 HydrophobicContact CZ-CD2 4.32Å; F118-L122 HydrophobicContact CZ-CG 4.16Å; F118-L122 PolarHBondContact O-N 3.14Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.36Å; L122-V129 HydrophobicContact CD2-CB 4.13Å; L122-V129 HydrophobicContact CD2-CG1 4.04Å; L122-V129 HydrophobicContact CD2-CG2 3.81Å; L122-V129 HydrophobicContact CG-CG2 4.37Å; L122-F143 HydrophobicContact CD1-CB 4.22Å; L122-F143 HydrophobicContact CD1-CD1 3.8Å; L122-F143 HydrophobicContact CD1-CE1 4.4Å; L122-F143 HydrophobicContact CD1-CG 4.07Å; L122-F143 HydrophobicContact CD2-CB 3.77Å; L122-F143 HydrophobicContact CD2-CG 4.35Å; L122-L218 HydrophobicContact CB-CD1 4.09Å; L122-L218 HydrophobicContact CD1-CB 4.31Å; L122-L218 HydrophobicContact CD1-CD1 3.98Å
123L87.8Confident93.6Very high106 Ų10644.5 Ų44.556%0.55523%0.226SC*.THydrogen-bonded Turntrans-100.6-2.4-177.1-60.9175.3000112.7E120 A121 L218E120-L123 PolarHBondContact O-N 3.08Å; E120-L123 VanDerWaalsContact O-N 3.07Å; A121-L123 PolarHBondContact O-N 2.9Å; L123-L218 HydrophobicContact CD2-CD1 4.03Å; L123-L218 HydrophobicContact CG-CD1 4.27Å
124D87Confident93.2Very high71 Ų7144.2 Ų44.238%0.3822%0.224SC..  trans-88.9123.1-177.5178.219.8000110.8E120 A121 D126 T127E120-D124 PolarHBondContact O-N 3.38Å; A121-D124 PolarHBondContact O-N 2.95Å; D124-D126 PolarHBondContact O-N 3.31Å; D124-D126 PolarHBondContact OD1-N 2.73Å; D124-T127 PolarHBondContact O-N 3.3Å; D124-T127 VanDerWaalsContact O-N 3.13Å; D124-T127 PolarHBondContact OD2-OG1 3.25Å
125E86.2Confident92.7Very high176 Ų17640.5 Ų40.582%0.82221%0.208SC*.THydrogen-bonded Turntrans-68.3-24.6-175.8-62.5-177.2175.600112.9T127E125-T127 VanDerWaalsContact C-N 3.3Å
126D88.1Confident92.1Very high118 Ų11841.9 Ų41.963%0.63121%0.213SC*.THydrogen-bonded Turntrans-89.42.8177.5-68.4-32.4000112.7D124 K172D124-D126 PolarHBondContact O-N 3.31Å; D124-D126 PolarHBondContact OD1-N 2.73Å; D126-K172 PolarHBondContact O-N 2.82Å; D126-K172 VanDerWaalsContact O-N 3.15Å
127T90Very high91.9Very high16 Ų1638.9 Ų38.910%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-107.8134.7176.4-68.20000111.6A121 D124 E125 V129 K172 V174A121-T127 HydrophobicContact CB-CG2 4.19Å; A121-T127 WeakPolarHBondContact O-CB 3.49Å; A121-T127 WeakPolarHBondContact O-CG2 3.48Å; D124-T127 PolarHBondContact O-N 3.3Å; D124-T127 VanDerWaalsContact O-N 3.13Å; D124-T127 PolarHBondContact OD2-OG1 3.25Å; E125-T127 VanDerWaalsContact C-N 3.3Å; T127-V129 HydrophobicContact CG2-CG2 4.08Å; T127-K172 WeakPolarHBondContact CA-O 3.26Å; T127-K172 HydrophobicContact CG2-CG 4.43Å; T127-V174 HydrophobicContact CG2-CB 4.29Å; T127-V174 HydrophobicContact CG2-CG2 3.54Å
128V92.1Very high91.6Very high11 Ų1138.5 Ų38.57%0.06719%0.19CC..EExtended strand (participates in β ladder)trans-105.9123.1169.3177.40000109.5I130 I147 F168 K171 K172 I173 V174V128-I130 HydrophobicContact CG1-CD1 4.43Å; V128-I130 HydrophobicContact CG1-CG1 3.89Å; V128-I147 HydrophobicContact CG1-CD1 3.29Å; V128-I147 HydrophobicContact CG1-CG1 4.05Å; V128-F168 HydrophobicContact CG1-CD1 3.9Å; V128-F168 HydrophobicContact CG1-CE1 4.13Å; V128-F168 HydrophobicContact CG2-CD1 4.47Å; V128-K171 HydrophobicContact CG2-CB 4Å; V128-K171 HydrophobicContact CG2-CD 3.42Å; V128-K171 VanDerWaalsContact CG2-CD 3.42Å; V128-K171 HydrophobicContact CG2-CG 4.36Å; V128-K172 PolarHBondContact N-O 3.28Å; V128-I173 WeakPolarHBondContact O-CA 3.34Å; V128-V174 PolarHBondContact O-N 3.03Å
129V94Very high91.2Very high7 Ų742 Ų424%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-101.3119.6175.3-172.50000110.1F118 L122 T127 A146 I147 V174 Y176F118-V129 HydrophobicContact CE2-CG1 3.99Å; F118-V129 HydrophobicContact CZ-CG1 3.89Å; L122-V129 HydrophobicContact CD2-CB 4.13Å; L122-V129 HydrophobicContact CD2-CG1 4.04Å; L122-V129 HydrophobicContact CD2-CG2 3.81Å; L122-V129 HydrophobicContact CG-CG2 4.37Å; T127-V129 HydrophobicContact CG2-CG2 4.08Å; V129-A146 HydrophobicContact CG1-CB 4.32Å; V129-A146 CarbonylContact O-C 3.57Å; V129-A146 WeakPolarHBondContact O-CA 3.32Å; V129-I147 PolarHBondContact O-N 3.47Å; V129-V174 CarbonylContact C-O 3.5Å; V129-V174 VanDerWaalsContact CA-O 3.25Å; V129-V174 WeakPolarHBondContact CA-O 3.2Å; V129-V174 HydrophobicContact CG2-CB 4.29Å; V129-Y176 HydrophobicContact CG1-CD1 3.6Å; V129-Y176 HydrophobicContact CG1-CE1 3.72Å
130I95.3Very high90.8Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-108.8125.4-177.3-54.4-177.2000110V128 A132 P149 I161 F168 I173 V174 T175 Y176V128-I130 HydrophobicContact CG1-CD1 4.43Å; V128-I130 HydrophobicContact CG1-CG1 3.89Å; I130-A132 PolarHBondContact O-N 3.1Å; I130-P149 HydrophobicContact CG2-CG 3.88Å; I130-I161 HydrophobicContact CD1-CD1 3.64Å; I130-F168 HydrophobicContact CD1-CD1 4.41Å; I130-F168 HydrophobicContact CD1-CE1 4.33Å; I130-F168 HydrophobicContact CD1-CZ 4.47Å; I130-I173 HydrophobicContact CD1-CG2 3.6Å; I130-I173 HydrophobicContact CG1-CG2 4.1Å; I130-V174 PolarHBondContact N-O 2.69Å; I130-T175 WeakPolarHBondContact O-CA 3.17Å; I130-Y176 WeakPolarHBondContact O-CD1 3.41Å; I130-Y176 PolarHBondContact O-N 3.47Å
131D96.6Very high90.7Very high1 Ų134.2 Ų34.21%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-76.9110.4170.6-163.6-24.4000110.4R133 Y138 I147 P149 Y176D131-R133 PolarHBondContact O-N 3.31Å; D131-R133 WeakPolarHBondContact OD1-CB 3.39Å; D131-R133 WeakPolarHBondContact OD1-CG 3.44Å; D131-R133 IonicContact OD1-CZ 2.77Å; D131-R133 PolarHBondContact OD1-N 2.92Å; D131-R133 IonicContact OD1-NE 2.73Å; D131-R133 PolarHBondContact OD1-NE 2.83Å; D131-R133 IonicContact OD1-NH2 2.9Å; D131-R133 IonicContact OD2-CZ 3.74Å; D131-R133 VanDerWaalsContact OD2-CZ 3.29Å; D131-R133 IonicContact OD2-NE 3.7Å; D131-R133 PolarHBondContact OD2-NE 3.41Å; D131-R133 VanDerWaalsContact OD2-NE 3.13Å; D131-R133 IonicContact OD2-NH2 3.75Å; D131-R133 PolarHBondContact OD2-NH2 3.4Å; D131-Y138 HydrophobicContact CB-CD2 3.72Å; D131-Y138 HydrophobicContact CB-CE2 4.19Å; D131-Y138 VanDerWaalsContact OD2-CD2 3.26Å; D131-Y138 WeakPolarHBondContact OD2-CD2 3.22Å; D131-I147 PolarHBondContact N-O 3.43Å; D131-P149 VanDerWaalsContact O-CD 3.3Å; D131-P149 WeakPolarHBondContact O-CD 3.49Å; D131-P149 VanDerWaalsContact O-CG 3.29Å; D131-P149 WeakPolarHBondContact O-CG 3.28Å; D131-Y176 HydrophobicContact CB-CE1 3.84Å; D131-Y176 HydrophobicContact CB-CE2 4.19Å; D131-Y176 WeakPolarHBondContact CB-OH 3.38Å; D131-Y176 VanDerWaalsContact CG-CZ 3.43Å; D131-Y176 WeakPolarHBondContact OD2-CE2 3.29Å; D131-Y176 PolarHBondContact OD2-OH 3.13Å
132A96.3Very high90.8Very high0 Ų035.5 Ų35.50%018%0.179CC..  trans-83.618.3179.500000112.8I130 F154 L157 Y176 R182 F186I130-A132 PolarHBondContact O-N 3.1Å; A132-F154 HydrophobicContact CB-CE2 4.27Å; A132-F154 VanDerWaalsContact O-CD2 3.31Å; A132-F154 WeakPolarHBondContact O-CD2 3.39Å; A132-L157 HydrophobicContact CB-CD2 3.87Å; A132-Y176 WeakPolarHBondContact CB-O 3.49Å; A132-Y176 PolarHBondContact N-O 3.04Å; A132-R182 WeakPolarHBondContact O-CD 3.07Å; A132-F186 HydrophobicContact CB-CD1 4.1Å
133R96Very high91.1Very high2 Ų234.4 Ų34.41%0.00817%0.173CC..SBendtrans-96.2169.6178.9-56.1-177.8-65.3148.44.7112.3D131 E137 G141 C177 R182D131-R133 PolarHBondContact O-N 3.31Å; D131-R133 WeakPolarHBondContact OD1-CB 3.39Å; D131-R133 WeakPolarHBondContact OD1-CG 3.44Å; D131-R133 IonicContact OD1-CZ 2.77Å; D131-R133 PolarHBondContact OD1-N 2.92Å; D131-R133 IonicContact OD1-NE 2.73Å; D131-R133 PolarHBondContact OD1-NE 2.83Å; D131-R133 IonicContact OD1-NH2 2.9Å; D131-R133 IonicContact OD2-CZ 3.74Å; D131-R133 VanDerWaalsContact OD2-CZ 3.29Å; D131-R133 IonicContact OD2-NE 3.7Å; D131-R133 PolarHBondContact OD2-NE 3.41Å; D131-R133 VanDerWaalsContact OD2-NE 3.13Å; D131-R133 IonicContact OD2-NH2 3.75Å; D131-R133 PolarHBondContact OD2-NH2 3.4Å; R133-E137 HydrophobicContact CB-CB 3.76Å; R133-E137 HydrophobicContact CB-CG 4.26Å; R133-E137 HydrophobicContact CG-CB 4.49Å; R133-E137 PolarHBondContact NH1-O 3.1Å; R133-E137 PolarHBondContact NH2-O 3.04Å; R133-G141 PolarHBondContact NH1-O 2.98Å; R133-G141 PolarHBondContact NH2-O 2.83Å; R133-C177 HydrophobicContact CG-CB 3.85Å; R133-R182 VanDerWaalsContact CA-NH1 3.33Å
134N90Very high91.2Very high13 Ų1333 Ų337%0.0716%0.161CC..  trans-73.6156.3174.2-63.15.2000110Y136 E137 Y138 H152 F154N134-Y136 VanDerWaalsContact C-N 3.31Å; N134-Y136 HydrophobicContact CB-CD1 3.77Å; N134-Y136 HydrophobicContact CB-CE1 3.32Å; N134-Y136 VanDerWaalsContact ND2-CE1 3.29Å; N134-Y136 WeakPolarHBondContact ND2-CE1 3.36Å; N134-Y136 PolarHBondContact ND2-OH 3.2Å; N134-Y136 VanDerWaalsContact ND2-OH 3.08Å; N134-Y136 PolarHBondContact O-N 3.04Å; N134-E137 PolarHBondContact N-OE2 3.15Å; N134-E137 WeakPolarHBondContact O-CB 3.26Å; N134-E137 PolarHBondContact O-N 3.46Å; N134-Y138 PolarHBondContact O-N 3.48Å; N134-H152 WeakPolarHBondContact CB-O 3.45Å; N134-H152 PolarHBondContact ND2-O 3.43Å; N134-F154 PolarHBondContact OD1-N 2.89Å
135D88.1Confident91.2Very high28 Ų2833.2 Ų33.215%0.1518%0.18CC..Hα-helixtrans-41.7-50.5177.457.9-10.5000114.8E137 Y138 D139 I151 H152D135-E137 PolarHBondContact O-N 3.24Å; D135-Y138 WeakPolarHBondContact O-CB 3.41Å; D135-Y138 PolarHBondContact O-N 3.3Å; D135-Y138 VanDerWaalsContact O-N 3.11Å; D135-D139 VanDerWaalsContact O-CG 3.23Å; D135-D139 PolarHBondContact O-N 3.27Å; D135-I151 VanDerWaalsContact CB-O 3.25Å; D135-I151 WeakPolarHBondContact CB-O 3.39Å; D135-I151 PolarHBondContact N-O 3.24Å; D135-H152 IonicContact OD2-CE1 2.61Å; D135-H152 PolarHBondContact OD2-CE1 3.38Å; D135-H152 VanDerWaalsContact OD2-CE1 3.3Å; D135-H152 IonicContact OD2-CG 3.35Å; D135-H152 IonicContact OD2-ND1 3.88Å; D135-H152 PolarHBondContact OD2-ND1 2.93Å
136Y83.6Confident91.5Very high35 Ų3525.1 Ų25.114%0.13714%0.142CC..Hα-helixtrans-63-27.3-178.458.4-95.2000114.2N134 L140 Y224 F226 Y255 Y484N134-Y136 VanDerWaalsContact C-N 3.31Å; N134-Y136 HydrophobicContact CB-CD1 3.77Å; N134-Y136 HydrophobicContact CB-CE1 3.32Å; N134-Y136 VanDerWaalsContact ND2-CE1 3.29Å; N134-Y136 WeakPolarHBondContact ND2-CE1 3.36Å; N134-Y136 PolarHBondContact ND2-OH 3.2Å; N134-Y136 VanDerWaalsContact ND2-OH 3.08Å; N134-Y136 PolarHBondContact O-N 3.04Å; Y136-L140 PolarHBondContact O-N 3.47Å; Y136-Y224 HydrophobicContact CD2-CD1 4.41Å; Y136-Y224 HydrophobicContact CD2-CD2 4.34Å; Y136-Y224 HydrophobicContact CD2-CE1 4.41Å; Y136-Y224 HydrophobicContact CD2-CE2 4.33Å; Y136-Y224 HydrophobicContact CD2-CG 4.37Å; Y136-Y224 AromaticContact CE2-CD1 3.95Å; Y136-Y224 HydrophobicContact CE2-CD1 3.95Å; Y136-Y224 AromaticContact CE2-CE1 3.75Å; Y136-Y224 HydrophobicContact CE2-CE1 3.75Å; Y136-Y224 HydrophobicContact CE2-CE2 4.4Å; Y136-Y224 HydrophobicContact CE2-CG 4.36Å; Y136-Y224 AromaticContact CE2-CZ 3.99Å; Y136-F226 HydrophobicContact CE2-CE1 4.5Å; Y136-Y255 WeakPolarHBondContact CB-OH 3.33Å; Y136-Y484 HydrophobicContact CG-CE2 4.5Å
137E91.8Very high91.6Very high0 Ų021.6 Ų21.60%012%0.123CC..Hα-helixtrans-76.4-35.9177.9-56.4179.570.600110.8R133 N134 D135 T178 R182 Y224 F226R133-E137 HydrophobicContact CB-CB 3.76Å; R133-E137 HydrophobicContact CB-CG 4.26Å; R133-E137 HydrophobicContact CG-CB 4.49Å; R133-E137 PolarHBondContact NH1-O 3.1Å; R133-E137 PolarHBondContact NH2-O 3.04Å; N134-E137 PolarHBondContact N-OE2 3.15Å; N134-E137 WeakPolarHBondContact O-CB 3.26Å; N134-E137 PolarHBondContact O-N 3.46Å; D135-E137 PolarHBondContact O-N 3.24Å; E137-T178 PolarHBondContact OE1-OG1 3.13Å; E137-R182 IonicContact OE1-CZ 3.38Å; E137-R182 IonicContact OE1-NH1 2.78Å; E137-R182 IonicContact OE1-NH2 2.75Å; E137-R182 PolarHBondContact OE1-NH2 3.2Å; E137-R182 IonicContact OE2-CZ 2.9Å; E137-R182 IonicContact OE2-NH1 2.7Å; E137-R182 PolarHBondContact OE2-NH1 3.15Å; E137-R182 IonicContact OE2-NH2 3.84Å; E137-R182 PolarHBondContact OE2-NH2 2.85Å; E137-Y224 HydrophobicContact CG-CD1 3.95Å; E137-Y224 HydrophobicContact CG-CG 4.16Å; E137-F226 HydrophobicContact CG-CZ 4.5Å; E137-F226 WeakPolarHBondContact OE1-CE2 3.46Å
138Y92.9Very high91.8Very high30 Ų3024.8 Ų24.812%0.11813%0.133CC..Hα-helixtrans-68-45.1174.8-174.3-77.6000111.1D131 N134 D135 L140 G141 H142 A146 R148D131-Y138 HydrophobicContact CB-CD2 3.72Å; D131-Y138 HydrophobicContact CB-CE2 4.19Å; D131-Y138 VanDerWaalsContact OD2-CD2 3.26Å; D131-Y138 WeakPolarHBondContact OD2-CD2 3.22Å; N134-Y138 PolarHBondContact O-N 3.48Å; D135-Y138 WeakPolarHBondContact O-CB 3.41Å; D135-Y138 PolarHBondContact O-N 3.3Å; D135-Y138 VanDerWaalsContact O-N 3.11Å; Y138-L140 PolarHBondContact O-N 3.42Å; Y138-G141 CarbonylContact O-C 3.5Å; Y138-G141 PolarHBondContact O-N 2.95Å; Y138-G141 VanDerWaalsContact O-N 3.08Å; Y138-H142 HydrophobicContact CD1-CB 4.3Å; Y138-H142 AromaticContact CD1-CE1 3.84Å; Y138-H142 AromaticContact CD1-CG 3.91Å; Y138-H142 AromaticContact CD1-ND1 3.38Å; Y138-H142 WeakPolarHBondContact CD1-ND1 3.41Å; Y138-H142 HydrophobicContact CD2-CB 3.68Å; Y138-H142 HydrophobicContact CE1-CB 4.23Å; Y138-H142 AromaticContact CE1-CD2 3.81Å; Y138-H142 AromaticContact CE1-CE1 3.22Å; Y138-H142 WeakPolarHBondContact CE1-CE1 3.08Å; Y138-H142 AromaticContact CE1-CG 3.52Å; Y138-H142 AromaticContact CE1-ND1 3.15Å; Y138-H142 WeakPolarHBondContact CE1-ND1 3.42Å; Y138-H142 AromaticContact CE1-NE2 3.66Å; Y138-H142 HydrophobicContact CE2-CB 3.6Å; Y138-H142 AromaticContact CE2-CG 3.68Å; Y138-H142 HydrophobicContact CG-CB 4.02Å; Y138-H142 AromaticContact CG-ND1 3.96Å; Y138-H142 AromaticContact CZ-CD2 3.44Å; Y138-H142 VanDerWaalsContact CZ-CD2 3.44Å; Y138-H142 AromaticContact CZ-CE1 3.7Å; Y138-H142 AromaticContact CZ-CG 3.37Å; Y138-H142 AromaticContact CZ-ND1 3.56Å; Y138-H142 AromaticContact CZ-NE2 3.68Å; Y138-H142 PolarHBondContact O-ND1 3.45Å; Y138-H142 PolarHBondContact OH-CD2 2.83Å; Y138-H142 PolarHBondContact OH-NE2 3.14Å; Y138-A146 HydrophobicContact CE2-CB 4.47Å; Y138-A146 PolarHBondContact OH-O 2.85Å; Y138-R148 HydrophobicContact CD1-CB 3.88Å; Y138-R148 HydrophobicContact CD1-CG 3.47Å; Y138-R148 VanDerWaalsContact CD1-CG 3.47Å; Y138-R148 HydrophobicContact CD2-CB 3.87Å; Y138-R148 HydrophobicContact CD2-CG 3.92Å; Y138-R148 HydrophobicContact CE1-CB 3.59Å; Y138-R148 HydrophobicContact CE1-CG 3.72Å; Y138-R148 HydrophobicContact CE2-CB 3.59Å; Y138-R148 HydrophobicContact CE2-CG 4.14Å; Y138-R148 HydrophobicContact CG-CB 4.03Å; Y138-R148 HydrophobicContact CG-CG 3.61Å; Y138-R148 VanDerWaalsContact CZ-CB 3.46Å
139D87.2Confident91.7Very high74 Ų7424.4 Ų24.440%0.39613%0.131SC..Hα-helixtrans-64.8-26.3-176.1-66.5-17.3000112.6D135 R148D135-D139 VanDerWaalsContact O-CG 3.23Å; D135-D139 PolarHBondContact O-N 3.27Å; D139-R148 VanDerWaalsContact CG-NH2 3.33Å; D139-R148 IonicContact OD1-CZ 3.29Å; D139-R148 VanDerWaalsContact OD1-CZ 3.29Å; D139-R148 IonicContact OD1-NE 2.74Å; D139-R148 PolarHBondContact OD1-NE 3.18Å; D139-R148 IonicContact OD1-NH2 2.94Å; D139-R148 PolarHBondContact OD1-NH2 3.48Å; D139-R148 IonicContact OD2-CZ 3.91Å; D139-R148 IonicContact OD2-NH2 2.86Å; D139-R148 PolarHBondContact OD2-NH2 3.43Å
140L87.1Confident91.5Very high1 Ų130.9 Ų30.91%0.00516%0.161CC..Hα-helixtrans-78.3-32.6174.6-175.757.9000113.2Y136 Y138 K222 Y224 Y255 F486Y136-L140 PolarHBondContact O-N 3.47Å; Y138-L140 PolarHBondContact O-N 3.42Å; L140-K222 CarbonylContact C-O 3.56Å; L140-K222 VanDerWaalsContact C-O 3.31Å; L140-K222 HydrophobicContact CD1-CB 4.41Å; L140-K222 HydrophobicContact CG-CB 4.22Å; L140-K222 WeakPolarHBondContact CG-O 3.46Å; L140-K222 PolarHBondContact O-N 3.31Å; L140-Y224 HydrophobicContact CD2-CD2 4.05Å; L140-Y224 HydrophobicContact CD2-CG 4.46Å; L140-Y255 HydrophobicContact CD1-CD2 4.38Å; L140-Y255 HydrophobicContact CD1-CG 4.47Å; L140-Y255 HydrophobicContact CD2-CG 4.34Å; L140-F486 HydrophobicContact CD1-CE1 3.63Å; L140-F486 HydrophobicContact CD1-CZ 3.56Å
141G92.7Very high91.2Very high0 Ų031 Ų310%016%0.161CC..EExtended strand (participates in β ladder)trans177.9143.7-178.800000111.8R133 Y138 W219 D220 K222R133-G141 PolarHBondContact NH1-O 2.98Å; R133-G141 PolarHBondContact NH2-O 2.83Å; Y138-G141 CarbonylContact O-C 3.5Å; Y138-G141 PolarHBondContact O-N 2.95Å; Y138-G141 VanDerWaalsContact O-N 3.08Å; G141-W219 VanDerWaalsContact O-CH2 3.25Å; G141-W219 WeakPolarHBondContact O-CH2 3.04Å; G141-W219 VanDerWaalsContact O-CZ2 3.26Å; G141-W219 WeakPolarHBondContact O-CZ2 3.29Å; G141-D220 CarbonylContact C-O 3.54Å; G141-D220 WeakPolarHBondContact CA-O 3.34Å; G141-K222 VanDerWaalsContact CA-O 3.29Å; G141-K222 WeakPolarHBondContact CA-O 3Å; G141-K222 PolarHBondContact N-O 2.95Å
142H94.5Very high90.7Very high34 Ų3435.2 Ų35.216%0.15718%0.181CC..EExtended strand (participates in β ladder)trans-156.5167.1-178.352-94.1000110.9Y138 D220 I242Y138-H142 HydrophobicContact CD1-CB 4.3Å; Y138-H142 AromaticContact CD1-CE1 3.84Å; Y138-H142 AromaticContact CD1-CG 3.91Å; Y138-H142 AromaticContact CD1-ND1 3.38Å; Y138-H142 WeakPolarHBondContact CD1-ND1 3.41Å; Y138-H142 HydrophobicContact CD2-CB 3.68Å; Y138-H142 HydrophobicContact CE1-CB 4.23Å; Y138-H142 AromaticContact CE1-CD2 3.81Å; Y138-H142 AromaticContact CE1-CE1 3.22Å; Y138-H142 WeakPolarHBondContact CE1-CE1 3.08Å; Y138-H142 AromaticContact CE1-CG 3.52Å; Y138-H142 AromaticContact CE1-ND1 3.15Å; Y138-H142 WeakPolarHBondContact CE1-ND1 3.42Å; Y138-H142 AromaticContact CE1-NE2 3.66Å; Y138-H142 HydrophobicContact CE2-CB 3.6Å; Y138-H142 AromaticContact CE2-CG 3.68Å; Y138-H142 HydrophobicContact CG-CB 4.02Å; Y138-H142 AromaticContact CG-ND1 3.96Å; Y138-H142 AromaticContact CZ-CD2 3.44Å; Y138-H142 VanDerWaalsContact CZ-CD2 3.44Å; Y138-H142 AromaticContact CZ-CE1 3.7Å; Y138-H142 AromaticContact CZ-CG 3.37Å; Y138-H142 AromaticContact CZ-ND1 3.56Å; Y138-H142 AromaticContact CZ-NE2 3.68Å; Y138-H142 PolarHBondContact O-ND1 3.45Å; Y138-H142 PolarHBondContact OH-CD2 2.83Å; Y138-H142 PolarHBondContact OH-NE2 3.14Å; H142-D220 PolarHBondContact N-O 2.86Å; H142-D220 PolarHBondContact O-N 2.91Å; H142-I242 WeakPolarHBondContact CE1-CD1 3.29Å; H142-I242 VanDerWaalsContact ND1-CD1 3.34Å; H142-I242 WeakPolarHBondContact ND1-CD1 3.4Å
143F95.4Very high90.1Very high0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-73.7139170.9-72.6-68.2000111.3F118 L122 G145 A146 Y176 L201 I205 Y208 L218 W219F118-F143 HydrophobicContact CD1-CZ 4.47Å; F118-F143 HydrophobicContact CE1-CD1 4.16Å; F118-F143 AromaticContact CE1-CD2 3.65Å; F118-F143 HydrophobicContact CE1-CD2 3.65Å; F118-F143 HydrophobicContact CE1-CE1 4.01Å; F118-F143 AromaticContact CE1-CE2 3.48Å; F118-F143 HydrophobicContact CE1-CE2 3.48Å; F118-F143 VanDerWaalsContact CE1-CE2 3.48Å; F118-F143 AromaticContact CE1-CG 4Å; F118-F143 HydrophobicContact CE1-CG 4Å; F118-F143 AromaticContact CE1-CZ 3.68Å; F118-F143 HydrophobicContact CE1-CZ 3.68Å; F118-F143 AromaticContact CZ-CD2 3.72Å; F118-F143 HydrophobicContact CZ-CD2 3.72Å; F118-F143 AromaticContact CZ-CE2 3.79Å; F118-F143 HydrophobicContact CZ-CE2 3.79Å; F118-F143 HydrophobicContact CZ-CG 4.33Å; F118-F143 HydrophobicContact CZ-CZ 4.44Å; L122-F143 HydrophobicContact CD1-CB 4.22Å; L122-F143 HydrophobicContact CD1-CD1 3.8Å; L122-F143 HydrophobicContact CD1-CE1 4.4Å; L122-F143 HydrophobicContact CD1-CG 4.07Å; L122-F143 HydrophobicContact CD2-CB 3.77Å; L122-F143 HydrophobicContact CD2-CG 4.35Å; F143-G145 PolarHBondContact O-N 3.21Å; F143-A146 HydrophobicContact CB-CB 4.18Å; F143-A146 WeakPolarHBondContact O-CB 3.45Å; F143-A146 PolarHBondContact O-N 2.94Å; F143-Y176 HydrophobicContact CD2-CD1 4.06Å; F143-Y176 AromaticContact CD2-CD2 3.71Å; F143-Y176 HydrophobicContact CD2-CD2 3.71Å; F143-Y176 AromaticContact CD2-CE1 3.91Å; F143-Y176 HydrophobicContact CD2-CE1 3.91Å; F143-Y176 AromaticContact CD2-CE2 3.55Å; F143-Y176 HydrophobicContact CD2-CE2 3.55Å; F143-Y176 AromaticContact CD2-CG 3.94Å; F143-Y176 HydrophobicContact CD2-CG 3.94Å; F143-Y176 AromaticContact CD2-CZ 3.62Å; F143-Y176 AromaticContact CE2-CD2 3.78Å; F143-Y176 HydrophobicContact CE2-CD2 3.78Å; F143-Y176 HydrophobicContact CE2-CE2 4.01Å; F143-Y176 HydrophobicContact CE2-CG 4.08Å; F143-Y176 PolarHBondContact N-OH 2.74Å; F143-L201 HydrophobicContact CE2-CD2 3.97Å; F143-L201 HydrophobicContact CZ-CD2 4.15Å; F143-I205 HydrophobicContact CE2-CG1 3.8Å; F143-I205 HydrophobicContact CZ-CG1 4.32Å; F143-Y208 AromaticContact CE1-CD1 3.57Å; F143-Y208 HydrophobicContact CE1-CD1 3.57Å; F143-Y208 HydrophobicContact CE1-CD2 4.49Å; F143-Y208 AromaticContact CE1-CE1 3.51Å; F143-Y208 HydrophobicContact CE1-CE1 3.51Å; F143-Y208 HydrophobicContact CE1-CE2 4.42Å; F143-Y208 HydrophobicContact CE1-CG 4.1Å; F143-Y208 AromaticContact CE1-CZ 3.95Å; F143-Y208 AromaticContact CZ-CD1 3.68Å; F143-Y208 HydrophobicContact CZ-CD1 3.68Å; F143-Y208 HydrophobicContact CZ-CD2 4.28Å; F143-Y208 HydrophobicContact CZ-CE1 4.09Å; F143-Y208 AromaticContact CZ-CG 3.8Å; F143-Y208 HydrophobicContact CZ-CG 3.8Å; F143-L218 WeakPolarHBondContact CA-O 3.49Å; F143-W219 HydrophobicContact CD1-CB 4.17Å; F143-W219 AromaticContact CD1-CE3 3.86Å; F143-W219 HydrophobicContact CD1-CE3 3.86Å; F143-W219 AromaticContact CD2-CE3 3.84Å; F143-W219 HydrophobicContact CD2-CE3 3.84Å; F143-W219 AromaticContact CD2-CZ3 3.91Å; F143-W219 HydrophobicContact CD2-CZ3 3.91Å; F143-W219 HydrophobicContact CE1-CB 4.04Å; F143-W219 AromaticContact CE1-CE3 3.82Å; F143-W219 HydrophobicContact CE1-CE3 3.82Å; F143-W219 AromaticContact CE2-CE3 3.8Å; F143-W219 HydrophobicContact CE2-CE3 3.8Å; F143-W219 AromaticContact CE2-CZ3 3.93Å; F143-W219 HydrophobicContact CE2-CZ3 3.93Å; F143-W219 AromaticContact CG-CE3 3.86Å; F143-W219 HydrophobicContact CG-CE3 3.86Å; F143-W219 HydrophobicContact CG-CZ3 4.31Å; F143-W219 AromaticContact CZ-CE3 3.78Å; F143-W219 HydrophobicContact CZ-CE3 3.78Å; F143-W219 HydrophobicContact CZ-CZ3 4.35Å
144R89.6Confident90Very high77 Ų7738.9 Ų38.929%0.29120%0.2SC..THydrogen-bonded Turntrans-54.7132.5173.8-72-179.7-167.9149.315.6111A146 L218 D220 D238 Q240R144-A146 PolarHBondContact O-N 2.85Å; R144-L218 PolarHBondContact N-O 2.94Å; R144-D220 WeakPolarHBondContact CG-OD2 3.38Å; R144-D220 IonicContact CZ-OD1 3.24Å; R144-D220 VanDerWaalsContact CZ-OD1 3.24Å; R144-D220 IonicContact CZ-OD2 3.94Å; R144-D220 VanDerWaalsContact NE-CG 3.29Å; R144-D220 IonicContact NE-OD1 2.9Å; R144-D220 PolarHBondContact NE-OD1 3.11Å; R144-D220 IonicContact NE-OD2 2.94Å; R144-D220 PolarHBondContact NE-OD2 2.81Å; R144-D220 IonicContact NH2-OD1 2.9Å; R144-D220 PolarHBondContact NH2-OD1 2.77Å; R144-D238 IonicContact CZ-OD2 3.16Å; R144-D238 IonicContact NH1-OD2 2.7Å; R144-D238 PolarHBondContact NH1-OD2 2.8Å; R144-D238 PolarHBondContact NH2-O 3.07Å; R144-D238 IonicContact NH2-OD2 3.2Å; R144-D238 PolarHBondContact NH2-OD2 2.8Å; R144-Q240 VanDerWaalsContact NH2-CG 3.32Å
145G87.7Confident90.1Very high75 Ų7544 Ų4477%0.77322%0.219SC*.THydrogen-bonded Turntrans77.2-5.1-179.200000114.8F143F143-G145 PolarHBondContact O-N 3.21Å
146A92.2Very high90.3Very high5 Ų545.9 Ų45.94%0.04123%0.226CC..  trans-68.1136174.400000111.4V129 Y138 F143 R144 Y176V129-A146 HydrophobicContact CG1-CB 4.32Å; V129-A146 CarbonylContact O-C 3.57Å; V129-A146 WeakPolarHBondContact O-CA 3.32Å; Y138-A146 HydrophobicContact CE2-CB 4.47Å; Y138-A146 PolarHBondContact OH-O 2.85Å; F143-A146 HydrophobicContact CB-CB 4.18Å; F143-A146 WeakPolarHBondContact O-CB 3.45Å; F143-A146 PolarHBondContact O-N 2.94Å; R144-A146 PolarHBondContact O-N 2.85Å; A146-Y176 HydrophobicContact CB-CE1 3.62Å; A146-Y176 VanDerWaalsContact CB-OH 3.26Å; A146-Y176 WeakPolarHBondContact CB-OH 3.38Å
147I91.4Very high90.8Very high44 Ų4444.2 Ų44.223%0.22622%0.22CC..BIsolated β-bridgetrans-68.8134.7173.5-63.7-171.6000109.5V128 V129 D131 P149 W160 F168V128-I147 HydrophobicContact CG1-CD1 3.29Å; V128-I147 HydrophobicContact CG1-CG1 4.05Å; V129-I147 PolarHBondContact O-N 3.47Å; D131-I147 PolarHBondContact N-O 3.43Å; I147-P149 WeakPolarHBondContact O-CD 3.33Å; I147-W160 HydrophobicContact CG2-CH2 3.62Å; I147-W160 HydrophobicContact CG2-CZ2 4.33Å; I147-W160 HydrophobicContact CG2-CZ3 4.45Å; I147-F168 HydrophobicContact CD1-CD1 4.46Å; I147-F168 HydrophobicContact CD1-CE1 3.67Å
148R93.5Very high90.9Very high83 Ų8344.5 Ų44.531%0.31322%0.222SC..  trans-94105.2170.9-172.9-179.2-177.6-80.14109.6Y138 D139Y138-R148 HydrophobicContact CD1-CB 3.88Å; Y138-R148 HydrophobicContact CD1-CG 3.47Å; Y138-R148 VanDerWaalsContact CD1-CG 3.47Å; Y138-R148 HydrophobicContact CD2-CB 3.87Å; Y138-R148 HydrophobicContact CD2-CG 3.92Å; Y138-R148 HydrophobicContact CE1-CB 3.59Å; Y138-R148 HydrophobicContact CE1-CG 3.72Å; Y138-R148 HydrophobicContact CE2-CB 3.59Å; Y138-R148 HydrophobicContact CE2-CG 4.14Å; Y138-R148 HydrophobicContact CG-CB 4.03Å; Y138-R148 HydrophobicContact CG-CG 3.61Å; Y138-R148 VanDerWaalsContact CZ-CB 3.46Å; D139-R148 VanDerWaalsContact CG-NH2 3.33Å; D139-R148 IonicContact OD1-CZ 3.29Å; D139-R148 VanDerWaalsContact OD1-CZ 3.29Å; D139-R148 IonicContact OD1-NE 2.74Å; D139-R148 PolarHBondContact OD1-NE 3.18Å; D139-R148 IonicContact OD1-NH2 2.94Å; D139-R148 PolarHBondContact OD1-NH2 3.48Å; D139-R148 IonicContact OD2-CZ 3.91Å; D139-R148 IonicContact OD2-NH2 2.86Å; D139-R148 PolarHBondContact OD2-NH2 3.43Å
149P89.8Confident91Very high3 Ų345.2 Ų45.22%0.01923%0.234CC..  trans-64.8142.8169.8-2236.5000110.7I130 D131 I147 I151 L157 W160I130-P149 HydrophobicContact CG2-CG 3.88Å; D131-P149 VanDerWaalsContact O-CD 3.3Å; D131-P149 WeakPolarHBondContact O-CD 3.49Å; D131-P149 VanDerWaalsContact O-CG 3.29Å; D131-P149 WeakPolarHBondContact O-CG 3.28Å; I147-P149 WeakPolarHBondContact O-CD 3.33Å; P149-I151 HydrophobicContact CB-CD1 4.09Å; P149-I151 HydrophobicContact CB-CG1 4.04Å; P149-I151 HydrophobicContact CB-CG2 4.15Å; P149-I151 PolarHBondContact O-N 3.04Å; P149-L157 HydrophobicContact CB-CD1 3.7Å; P149-L157 HydrophobicContact CG-CD1 3.61Å; P149-W160 HydrophobicContact CB-CD2 3.79Å; P149-W160 HydrophobicContact CB-CE3 3.83Å; P149-W160 HydrophobicContact CB-CG 4.33Å; P149-W160 HydrophobicContact CB-CH2 4.36Å; P149-W160 HydrophobicContact CB-CZ2 4.31Å; P149-W160 HydrophobicContact CB-CZ3 4.12Å; P149-W160 HydrophobicContact CG-CE3 4.23Å; P149-W160 HydrophobicContact CG-CH2 4.45Å; P149-W160 HydrophobicContact CG-CZ3 4.13Å
150E90Very high91.3Very high143 Ų14342.9 Ų42.967%0.66822%0.219SC*.  trans-83.961.2177.4-62.2-165.2157.600110.7
151I88.7Confident91.7Very high2 Ų242.9 Ų42.91%0.0122%0.219CC..  trans-123.9139.7-175.368.6-179.9000112.2D135 P149 E156 L157 W160D135-I151 VanDerWaalsContact CB-O 3.25Å; D135-I151 WeakPolarHBondContact CB-O 3.39Å; D135-I151 PolarHBondContact N-O 3.24Å; P149-I151 HydrophobicContact CB-CD1 4.09Å; P149-I151 HydrophobicContact CB-CG1 4.04Å; P149-I151 HydrophobicContact CB-CG2 4.15Å; P149-I151 PolarHBondContact O-N 3.04Å; I151-E156 HydrophobicContact CB-CB 4.02Å; I151-E156 HydrophobicContact CG2-CB 3.84Å; I151-L157 HydrophobicContact CD1-CB 3.64Å; I151-L157 HydrophobicContact CD1-CD1 3.87Å; I151-L157 HydrophobicContact CD1-CG 4.19Å; I151-W160 HydrophobicContact CG2-CB 3.87Å; I151-W160 HydrophobicContact CG2-CG 4.11Å
152H85.7Confident91.7Very high91 Ų9149.1 Ų49.142%0.42124%0.243SC..SBendtrans-88.1-30.2172.2-67.1-53.2000111.5N134 D135 E156 D456N134-H152 WeakPolarHBondContact CB-O 3.45Å; N134-H152 PolarHBondContact ND2-O 3.43Å; D135-H152 IonicContact OD2-CE1 2.61Å; D135-H152 PolarHBondContact OD2-CE1 3.38Å; D135-H152 VanDerWaalsContact OD2-CE1 3.3Å; D135-H152 IonicContact OD2-CG 3.35Å; D135-H152 IonicContact OD2-ND1 3.88Å; D135-H152 PolarHBondContact OD2-ND1 2.93Å; H152-E156 PolarHBondContact N-OE2 3.19Å; H152-D456 IonicContact CD2-OD2 2.89Å
153N85.3Confident91.7Very high66 Ų6654.9 Ų54.935%0.35327%0.27SS..SBendtrans-132.8140.9179.9-56.3-84.3000111.5R155 E156N153-R155 HydrophobicContact CB-CG 4.08Å; N153-R155 PolarHBondContact O-N 3.25Å; N153-E156 WeakPolarHBondContact CB-OE1 3.22Å; N153-E156 PolarHBondContact N-OE1 3.12Å; N153-E156 PolarHBondContact N-OE2 2.99Å; N153-E156 PolarHBondContact ND2-OE1 3.1Å; N153-E156 VanDerWaalsContact O-CB 3.31Å; N153-E156 WeakPolarHBondContact O-CB 3.5Å; N153-E156 PolarHBondContact O-N 3.25Å
154F92.1Very high91.4Very high13 Ų1356.6 Ų56.66%0.05728%0.279CS..G310 helixtrans-48-32.5175.9178.1-122.5000115.4V95 L97 A132 N134 E156 L157 R182 F186V95-F154 HydrophobicContact CB-CE1 4.28Å; V95-F154 HydrophobicContact CG2-CE1 4.46Å; L97-F154 HydrophobicContact CB-CD1 4.41Å; L97-F154 HydrophobicContact CB-CE1 3.89Å; L97-F154 HydrophobicContact CD1-CD1 4.02Å; L97-F154 HydrophobicContact CD1-CE1 3.66Å; L97-F154 HydrophobicContact CD1-CE2 4.21Å; L97-F154 HydrophobicContact CD1-CG 4.46Å; L97-F154 HydrophobicContact CD1-CZ 3.75Å; L97-F154 HydrophobicContact CD2-CE1 4.36Å; L97-F154 HydrophobicContact CD2-CZ 4.27Å; L97-F154 HydrophobicContact CG-CE1 4.17Å; L97-F154 HydrophobicContact CG-CZ 4.42Å; A132-F154 HydrophobicContact CB-CE2 4.27Å; A132-F154 VanDerWaalsContact O-CD2 3.31Å; A132-F154 WeakPolarHBondContact O-CD2 3.39Å; N134-F154 PolarHBondContact OD1-N 2.89Å; F154-E156 PolarHBondContact O-N 3.41Å; F154-L157 HydrophobicContact CD2-CB 4.49Å; F154-L157 HydrophobicContact CD2-CD2 4.06Å; F154-L157 HydrophobicContact CE2-CD2 3.92Å; F154-L157 VanDerWaalsContact O-CB 3.23Å; F154-L157 WeakPolarHBondContact O-CB 3.23Å; F154-L157 PolarHBondContact O-N 3.07Å; F154-L157 VanDerWaalsContact O-N 3.13Å; F154-R182 HydrophobicContact CD1-CG 3.98Å; F154-R182 HydrophobicContact CD2-CB 4.27Å; F154-R182 HydrophobicContact CD2-CG 4.19Å; F154-R182 HydrophobicContact CE1-CB 4.05Å; F154-R182 HydrophobicContact CE1-CG 3.85Å; F154-R182 HydrophobicContact CE2-CB 3.75Å; F154-R182 HydrophobicContact CE2-CG 4.11Å; F154-R182 HydrophobicContact CG-CG 4.14Å; F154-R182 HydrophobicContact CZ-CB 3.62Å; F154-R182 HydrophobicContact CZ-CG 3.93Å; F154-R182 WeakPolarHBondContact CZ-O 2.94Å; F154-F186 HydrophobicContact CE2-CB 4.08Å; F154-F186 HydrophobicContact CE2-CG 4.4Å; F154-F186 HydrophobicContact CZ-CB 3.97Å
155R92.1Very high91.4Very high121 Ų12156.5 Ų56.546%0.45728%0.281SS..G310 helixtrans-63.6-20.1176.672.3-178.668149.23.4114.6N153 L157 P158N153-R155 HydrophobicContact CB-CG 4.08Å; N153-R155 PolarHBondContact O-N 3.25Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-P158 WeakPolarHBondContact O-CD 3.46Å
156E92.5Very high91.2Very high66 Ų6661.8 Ų61.831%0.30829%0.285SS..G310 helixtrans-83-17.5179.1-63.6153.2-149.900111.1I151 H152 N153 F154 A159 W160I151-E156 HydrophobicContact CB-CB 4.02Å; I151-E156 HydrophobicContact CG2-CB 3.84Å; H152-E156 PolarHBondContact N-OE2 3.19Å; N153-E156 WeakPolarHBondContact CB-OE1 3.22Å; N153-E156 PolarHBondContact N-OE1 3.12Å; N153-E156 PolarHBondContact N-OE2 2.99Å; N153-E156 PolarHBondContact ND2-OE1 3.1Å; N153-E156 VanDerWaalsContact O-CB 3.31Å; N153-E156 WeakPolarHBondContact O-CB 3.5Å; N153-E156 PolarHBondContact O-N 3.25Å; F154-E156 PolarHBondContact O-N 3.41Å; E156-A159 PolarHBondContact O-N 3.29Å; E156-A159 VanDerWaalsContact O-N 3.14Å; E156-W160 PolarHBondContact O-N 3.46Å
157L94.4Very high90.7Very high0 Ų066.5 Ų66.50%031%0.307CS..Hα-helixtrans-58.5-43.3-175.7-173.559.7000113.5A132 P149 I151 F154 R155 A159 W160 I161 F186A132-L157 HydrophobicContact CB-CD2 3.87Å; P149-L157 HydrophobicContact CB-CD1 3.7Å; P149-L157 HydrophobicContact CG-CD1 3.61Å; I151-L157 HydrophobicContact CD1-CB 3.64Å; I151-L157 HydrophobicContact CD1-CD1 3.87Å; I151-L157 HydrophobicContact CD1-CG 4.19Å; F154-L157 HydrophobicContact CD2-CB 4.49Å; F154-L157 HydrophobicContact CD2-CD2 4.06Å; F154-L157 HydrophobicContact CE2-CD2 3.92Å; F154-L157 VanDerWaalsContact O-CB 3.23Å; F154-L157 WeakPolarHBondContact O-CB 3.23Å; F154-L157 PolarHBondContact O-N 3.07Å; F154-L157 VanDerWaalsContact O-N 3.13Å; R155-L157 VanDerWaalsContact C-N 3.34Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.1Å; L157-W160 HydrophobicContact CD1-CE3 4.11Å; L157-W160 PolarHBondContact O-N 3.35Å; L157-I161 HydrophobicContact CD1-CG1 4.34Å; L157-I161 HydrophobicContact CG-CG1 4.48Å; L157-I161 VanDerWaalsContact O-CG1 3.32Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3.03Å; L157-F186 HydrophobicContact CB-CE2 4.4Å; L157-F186 HydrophobicContact CD1-CZ 4.16Å; L157-F186 HydrophobicContact CD2-CD1 3.81Å; L157-F186 HydrophobicContact CD2-CD2 3.83Å; L157-F186 HydrophobicContact CD2-CE1 3.55Å; L157-F186 HydrophobicContact CD2-CE2 3.58Å; L157-F186 HydrophobicContact CD2-CG 3.95Å; L157-F186 HydrophobicContact CD2-CZ 3.43Å; L157-F186 VanDerWaalsContact CD2-CZ 3.43Å; L157-F186 HydrophobicContact CG-CD2 4.16Å; L157-F186 HydrophobicContact CG-CE1 4.17Å; L157-F186 HydrophobicContact CG-CE2 3.52Å; L157-F186 HydrophobicContact CG-CZ 3.53Å
158P94.8Very high90.5Very high7 Ų764.4 Ų64.45%0.04530%0.296CS..Hα-helixtrans-55.6-43.5174.1-30.739.5000114.1L97 L99 R155 I161 R162 W189L97-P158 HydrophobicContact CD1-CG 3.56Å; L97-P158 HydrophobicContact CG-CG 4.21Å; L99-P158 HydrophobicContact CD2-CB 4.43Å; L99-P158 HydrophobicContact CD2-CG 4Å; R155-P158 WeakPolarHBondContact O-CD 3.46Å; P158-I161 PolarHBondContact O-N 3.13Å; P158-R162 WeakPolarHBondContact O-CG 3.22Å; P158-R162 PolarHBondContact O-N 3.21Å; P158-W189 VanDerWaalsContact CA-CH2 3.42Å; P158-W189 HydrophobicContact CB-CD2 4.22Å; P158-W189 HydrophobicContact CB-CE3 4.44Å; P158-W189 HydrophobicContact CB-CH2 3.78Å; P158-W189 HydrophobicContact CB-CZ2 3.48Å; P158-W189 VanDerWaalsContact CB-CZ2 3.48Å; P158-W189 HydrophobicContact CB-CZ3 4.24Å; P158-W189 HydrophobicContact CG-CD2 4.43Å; P158-W189 WeakPolarHBondContact O-CH2 3.29Å
159A94.1Very high89.7Confident45 Ų4564.7 Ų64.737%0.37230%0.302SS..Hα-helixtrans-66.2-45.8178.300000110.8E156 L157 I161 R162 E163E156-A159 PolarHBondContact O-N 3.29Å; E156-A159 VanDerWaalsContact O-N 3.14Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.1Å; A159-I161 VanDerWaalsContact C-N 3.3Å; A159-I161 PolarHBondContact O-N 3.34Å; A159-R162 PolarHBondContact O-N 3.06Å; A159-R162 VanDerWaalsContact O-N 3.07Å; A159-E163 WeakPolarHBondContact O-CG 3.34Å; A159-E163 PolarHBondContact O-N 2.7Å
160W94.6Very high89.5Confident24 Ų2472.6 Ų72.69%0.09134%0.344CS..Hα-helixtrans-58.1-40.4177-175.288000112.4I147 P149 I151 E156 L157 E163 N164 F168I147-W160 HydrophobicContact CG2-CH2 3.62Å; I147-W160 HydrophobicContact CG2-CZ2 4.33Å; I147-W160 HydrophobicContact CG2-CZ3 4.45Å; P149-W160 HydrophobicContact CB-CD2 3.79Å; P149-W160 HydrophobicContact CB-CE3 3.83Å; P149-W160 HydrophobicContact CB-CG 4.33Å; P149-W160 HydrophobicContact CB-CH2 4.36Å; P149-W160 HydrophobicContact CB-CZ2 4.31Å; P149-W160 HydrophobicContact CB-CZ3 4.12Å; P149-W160 HydrophobicContact CG-CE3 4.23Å; P149-W160 HydrophobicContact CG-CH2 4.45Å; P149-W160 HydrophobicContact CG-CZ3 4.13Å; I151-W160 HydrophobicContact CG2-CB 3.87Å; I151-W160 HydrophobicContact CG2-CG 4.11Å; E156-W160 PolarHBondContact O-N 3.46Å; L157-W160 HydrophobicContact CD1-CE3 4.11Å; L157-W160 PolarHBondContact O-N 3.35Å; W160-E163 PolarHBondContact O-N 2.9Å; W160-N164 HydrophobicContact CH2-CB 4.41Å; W160-N164 HydrophobicContact CZ2-CB 4.42Å; W160-N164 PolarHBondContact NE1-ND2 2.99Å; W160-N164 WeakPolarHBondContact O-CB 3.33Å; W160-N164 PolarHBondContact O-N 3.13Å; W160-N164 PolarHBondContact O-ND2 2.83Å; W160-F168 HydrophobicContact CH2-CE2 4.44Å; W160-F168 AromaticContact CH2-CZ 3.66Å; W160-F168 HydrophobicContact CH2-CZ 3.66Å; W160-F168 HydrophobicContact CZ3-CE2 4.01Å; W160-F168 AromaticContact CZ3-CZ 3.58Å; W160-F168 HydrophobicContact CZ3-CZ 3.58Å
161I94.5Very high89.4Confident1 Ų170 Ų701%0.00533%0.33CS..Hα-helixtrans-63.4-42.5175.4-68.1-70.6000111.8I130 L157 P158 A159 E163 N164 K165 F168 F186 W189 L190 F195I130-I161 HydrophobicContact CD1-CD1 3.64Å; L157-I161 HydrophobicContact CD1-CG1 4.34Å; L157-I161 HydrophobicContact CG-CG1 4.48Å; L157-I161 VanDerWaalsContact O-CG1 3.32Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3.03Å; P158-I161 PolarHBondContact O-N 3.13Å; A159-I161 VanDerWaalsContact C-N 3.3Å; A159-I161 PolarHBondContact O-N 3.34Å; I161-E163 VanDerWaalsContact C-N 3.33Å; I161-E163 PolarHBondContact O-N 2.94Å; I161-N164 CarbonylContact O-C 3.42Å; I161-N164 PolarHBondContact O-N 3.24Å; I161-K165 VanDerWaalsContact O-CA 3.26Å; I161-K165 WeakPolarHBondContact O-CA 3.31Å; I161-K165 PolarHBondContact O-N 3.12Å; I161-F168 HydrophobicContact CD1-CD2 4.26Å; I161-F168 HydrophobicContact CD1-CE2 3.82Å; I161-F168 HydrophobicContact CD1-CZ 4.44Å; I161-F168 HydrophobicContact CG2-CD2 4.49Å; I161-F186 HydrophobicContact CD1-CZ 3.92Å; I161-F186 HydrophobicContact CG1-CE2 3.95Å; I161-F186 HydrophobicContact CG1-CZ 3.65Å; I161-W189 HydrophobicContact CB-CH2 3.88Å; I161-W189 HydrophobicContact CB-CZ3 3.83Å; I161-W189 HydrophobicContact CG1-CZ3 4.12Å; I161-W189 HydrophobicContact CG2-CH2 3.93Å; I161-W189 HydrophobicContact CG2-CZ3 3.79Å; I161-L190 HydrophobicContact CG1-CD2 4.41Å; I161-L190 HydrophobicContact CG2-CD2 3.87Å; I161-F195 HydrophobicContact CG2-CE2 3.75Å; I161-F195 HydrophobicContact CG2-CZ 3.89Å
162R93.2Very high89.7Confident132 Ų13272.4 Ų72.450%0.49834%0.341SS..Hα-helixtrans-63.8-41178.8-71.5176.1-178.5147.7-0.8111.6P158 A159 N164 K165 W189 E193P158-R162 WeakPolarHBondContact O-CG 3.22Å; P158-R162 PolarHBondContact O-N 3.21Å; A159-R162 PolarHBondContact O-N 3.06Å; A159-R162 VanDerWaalsContact O-N 3.07Å; R162-N164 VanDerWaalsContact C-N 3.29Å; R162-N164 PolarHBondContact O-N 3.07Å; R162-K165 WeakPolarHBondContact O-CB 3.48Å; R162-K165 PolarHBondContact O-N 3.37Å; R162-W189 HydrophobicContact CG-CH2 4.27Å; R162-W189 HydrophobicContact CG-CZ2 4.34Å; R162-E193 IonicContact CZ-OE1 3.46Å; R162-E193 IonicContact CZ-OE2 3.45Å; R162-E193 IonicContact NE-OE1 3.14Å; R162-E193 IonicContact NE-OE2 3.21Å; R162-E193 PolarHBondContact NE-OE2 3.43Å; R162-E193 IonicContact NH2-OE1 3.85Å; R162-E193 PolarHBondContact NH2-OE1 2.9Å; R162-E193 IonicContact NH2-OE2 3.45Å
163E93Very high90.1Very high154 Ų15468 Ų6872%0.7232%0.321SS*.Hα-helixtrans-67-30.6177.2-69.9168.8-172.200112.7A159 W160 I161A159-E163 WeakPolarHBondContact O-CG 3.34Å; A159-E163 PolarHBondContact O-N 2.7Å; W160-E163 PolarHBondContact O-N 2.9Å; I161-E163 VanDerWaalsContact C-N 3.33Å; I161-E163 PolarHBondContact O-N 2.94Å
164N90.6Very high90.7Very high36 Ų3664.9 Ų64.919%0.19330%0.304CS..THydrogen-bonded Turntrans-105.914.6-178.4-66.3-86.6000113.1W160 I161 R162 E166 Q167 F168W160-N164 HydrophobicContact CH2-CB 4.41Å; W160-N164 HydrophobicContact CZ2-CB 4.42Å; W160-N164 PolarHBondContact NE1-ND2 2.99Å; W160-N164 WeakPolarHBondContact O-CB 3.33Å; W160-N164 PolarHBondContact O-N 3.13Å; W160-N164 PolarHBondContact O-ND2 2.83Å; I161-N164 CarbonylContact O-C 3.42Å; I161-N164 PolarHBondContact O-N 3.24Å; R162-N164 VanDerWaalsContact C-N 3.29Å; R162-N164 PolarHBondContact O-N 3.07Å; N164-E166 PolarHBondContact O-N 3.13Å; N164-E166 VanDerWaalsContact O-N 3.08Å; N164-Q167 WeakPolarHBondContact O-CB 3.31Å; N164-Q167 PolarHBondContact O-N 2.77Å; N164-Q167 PolarHBondContact OD1-NE2 3.23Å; N164-F168 HydrophobicContact CB-CE2 3.76Å; N164-F168 HydrophobicContact CB-CZ 3.96Å; N164-F168 WeakPolarHBondContact O-CD2 3.43Å; N164-F168 VanDerWaalsContact O-CE2 3.26Å; N164-F168 WeakPolarHBondContact O-CE2 3.5Å
165K88.4Confident90.9Very high76 Ų7664.3 Ų64.333%0.3330%0.301SS..G310 helixtrans-52.4-40.3-168.4-178.5166.5-174.9165.70113.3I161 R162 Q167 F168 M169 E193 F195I161-K165 VanDerWaalsContact O-CA 3.26Å; I161-K165 WeakPolarHBondContact O-CA 3.31Å; I161-K165 PolarHBondContact O-N 3.12Å; R162-K165 WeakPolarHBondContact O-CB 3.48Å; R162-K165 PolarHBondContact O-N 3.37Å; K165-Q167 PolarHBondContact O-N 3.08Å; K165-Q167 VanDerWaalsContact O-N 3.14Å; K165-F168 PolarHBondContact O-N 2.88Å; K165-M169 HydrophobicContact CD-SD 4.26Å; K165-M169 VanDerWaalsContact CE-SD 3.51Å; K165-M169 HydrophobicContact CG-CG 4.26Å; K165-M169 HydrophobicContact CG-SD 3.81Å; K165-M169 WeakPolarHBondContact O-CG 3.29Å; K165-M169 PolarHBondContact O-N 3.34Å; K165-E193 PolarHBondContact NZ-O 3.29Å; K165-F195 HydrophobicContact CG-CE1 4.43Å; K165-F195 HydrophobicContact CG-CZ 4.03Å
166E84.4Confident91.2Very high185 Ų18558.5 Ų58.586%0.86428%0.279SS*.G310 helixtrans-57.3-27.5-179.4-61-173.8174.800113.5N164 F168N164-E166 PolarHBondContact O-N 3.13Å; N164-E166 VanDerWaalsContact O-N 3.08Å; E166-F168 PolarHBondContact O-N 2.61Å
167Q82Confident91.4Very high104 Ų10455.4 Ų55.449%0.48627%0.265SS..G310 helixtrans-72.4-17.7179.3-60.3179.63700113.2N164 K165N164-Q167 WeakPolarHBondContact O-CB 3.31Å; N164-Q167 PolarHBondContact O-N 2.77Å; N164-Q167 PolarHBondContact OD1-NE2 3.23Å; K165-Q167 PolarHBondContact O-N 3.08Å; K165-Q167 VanDerWaalsContact O-N 3.14Å
168F86.3Confident91.5Very high0 Ų056.1 Ų56.10%027%0.269CS..THydrogen-bonded Turntrans-118.1-8.6-170.8-40.4-52.7000113.2V128 I130 I147 W160 I161 N164 K165 E166 D170 K171 I173 F195V128-F168 HydrophobicContact CG1-CD1 3.9Å; V128-F168 HydrophobicContact CG1-CE1 4.13Å; V128-F168 HydrophobicContact CG2-CD1 4.47Å; I130-F168 HydrophobicContact CD1-CD1 4.41Å; I130-F168 HydrophobicContact CD1-CE1 4.33Å; I130-F168 HydrophobicContact CD1-CZ 4.47Å; I147-F168 HydrophobicContact CD1-CD1 4.46Å; I147-F168 HydrophobicContact CD1-CE1 3.67Å; W160-F168 HydrophobicContact CH2-CE2 4.44Å; W160-F168 AromaticContact CH2-CZ 3.66Å; W160-F168 HydrophobicContact CH2-CZ 3.66Å; W160-F168 HydrophobicContact CZ3-CE2 4.01Å; W160-F168 AromaticContact CZ3-CZ 3.58Å; W160-F168 HydrophobicContact CZ3-CZ 3.58Å; I161-F168 HydrophobicContact CD1-CD2 4.26Å; I161-F168 HydrophobicContact CD1-CE2 3.82Å; I161-F168 HydrophobicContact CD1-CZ 4.44Å; I161-F168 HydrophobicContact CG2-CD2 4.49Å; N164-F168 HydrophobicContact CB-CE2 3.76Å; N164-F168 HydrophobicContact CB-CZ 3.96Å; N164-F168 WeakPolarHBondContact O-CD2 3.43Å; N164-F168 VanDerWaalsContact O-CE2 3.26Å; N164-F168 WeakPolarHBondContact O-CE2 3.5Å; K165-F168 PolarHBondContact O-N 2.88Å; E166-F168 PolarHBondContact O-N 2.61Å; F168-D170 PolarHBondContact O-N 3.5Å; F168-K171 PolarHBondContact O-N 3.39Å; F168-I173 HydrophobicContact CB-CD1 3.73Å; F168-I173 HydrophobicContact CB-CG1 4.23Å; F168-I173 HydrophobicContact CG-CD1 4.45Å; F168-F195 HydrophobicContact CB-CE1 3.87Å; F168-F195 HydrophobicContact CB-CZ 4.47Å
169M77.8Confident91.5Very high89 Ų8956 Ų5644%0.43827%0.27SS..THydrogen-bonded Turntrans-58.8138.1175.9-67-58.8-63.500109.9K165 K171 F195K165-M169 HydrophobicContact CD-SD 4.26Å; K165-M169 VanDerWaalsContact CE-SD 3.51Å; K165-M169 HydrophobicContact CG-CG 4.26Å; K165-M169 HydrophobicContact CG-SD 3.81Å; K165-M169 WeakPolarHBondContact O-CG 3.29Å; K165-M169 PolarHBondContact O-N 3.34Å; M169-K171 PolarHBondContact O-N 2.75Å; M169-K171 VanDerWaalsContact O-N 3.14Å; M169-F195 HydrophobicContact SD-CE1 4.35Å
170D84Confident91.5Very high169 Ų16954 Ų5490%0.90425%0.253SS*.THydrogen-bonded Turntrans64.37179.8-48.4-41.4000116.4F168F168-D170 PolarHBondContact O-N 3.5Å
171K88.8Confident91.6Very high89 Ų8953.6 Ų53.639%0.38725%0.252SS..SBendtrans-107.6155.3176-65.2-165.3175.6-160.20112V128 F168 M169 I173V128-K171 HydrophobicContact CG2-CB 4Å; V128-K171 HydrophobicContact CG2-CD 3.42Å; V128-K171 VanDerWaalsContact CG2-CD 3.42Å; V128-K171 HydrophobicContact CG2-CG 4.36Å; F168-K171 PolarHBondContact O-N 3.39Å; M169-K171 PolarHBondContact O-N 2.75Å; M169-K171 VanDerWaalsContact O-N 3.14Å; K171-I173 PolarHBondContact O-N 3.03Å
172K94.1Very high91.7Very high52 Ų5254.6 Ų54.623%0.22626%0.256CS..EExtended strand (participates in β ladder)trans-71.6127.3167.6177.9173.7-171.1175.60109.9D126 T127 V128 V174 D197D126-K172 PolarHBondContact O-N 2.82Å; D126-K172 VanDerWaalsContact O-N 3.15Å; T127-K172 WeakPolarHBondContact CA-O 3.26Å; T127-K172 HydrophobicContact CG2-CG 4.43Å; V128-K172 PolarHBondContact N-O 3.28Å; K172-V174 HydrophobicContact CD-CG2 4.37Å; K172-V174 HydrophobicContact CG-CG2 4.12Å; K172-D197 CarbonylContact C-O 3.46Å; K172-D197 WeakPolarHBondContact CA-O 3.21Å; K172-D197 HydrophobicContact CB-CB 4.27Å; K172-D197 WeakPolarHBondContact CD-OD2 3.37Å; K172-D197 HydrophobicContact CG-CB 4.28Å; K172-D197 WeakPolarHBondContact CG-OD2 3.38Å
173I95.5Very high91.8Very high0 Ų048.3 Ų48.30%023%0.232CC..EExtended strand (participates in β ladder)trans-102.9119.5177.3-56.6178.2000109.4V128 I130 F168 K171 T175 L190 F195 D197 V198 A199V128-I173 WeakPolarHBondContact O-CA 3.34Å; I130-I173 HydrophobicContact CD1-CG2 3.6Å; I130-I173 HydrophobicContact CG1-CG2 4.1Å; F168-I173 HydrophobicContact CB-CD1 3.73Å; F168-I173 HydrophobicContact CB-CG1 4.23Å; F168-I173 HydrophobicContact CG-CD1 4.45Å; K171-I173 PolarHBondContact O-N 3.03Å; I173-T175 HydrophobicContact CG2-CG2 4.12Å; I173-L190 HydrophobicContact CD1-CD2 4.48Å; I173-L190 HydrophobicContact CG2-CD1 3.8Å; I173-F195 HydrophobicContact CD1-CB 4.14Å; I173-F195 HydrophobicContact CD1-CD1 3.32Å; I173-F195 HydrophobicContact CD1-CD2 4.21Å; I173-F195 HydrophobicContact CD1-CE1 3.63Å; I173-F195 HydrophobicContact CD1-CE2 4.47Å; I173-F195 HydrophobicContact CD1-CG 3.63Å; I173-F195 HydrophobicContact CD1-CZ 4.19Å; I173-D197 PolarHBondContact N-O 2.74Å; I173-V198 CarbonylContact O-C 3.55Å; I173-V198 WeakPolarHBondContact O-CA 3.32Å; I173-A199 PolarHBondContact O-N 2.9Å
174V96.9Very high92Very high0 Ų041.3 Ų41.30%020%0.2CC..EExtended strand (participates in β ladder)trans-114.2124.3175.4-1740000109.6L113 F118 A121 T127 V128 V129 I130 K172 A199L113-V174 HydrophobicContact CD1-CG1 3.79Å; L113-V174 HydrophobicContact CD1-CG2 3.92Å; F118-V174 HydrophobicContact CD2-CG1 3.57Å; F118-V174 HydrophobicContact CE2-CG1 3.57Å; A121-V174 HydrophobicContact CB-CG2 4.24Å; T127-V174 HydrophobicContact CG2-CB 4.29Å; T127-V174 HydrophobicContact CG2-CG2 3.54Å; V128-V174 PolarHBondContact O-N 3.03Å; V129-V174 CarbonylContact C-O 3.5Å; V129-V174 VanDerWaalsContact CA-O 3.25Å; V129-V174 WeakPolarHBondContact CA-O 3.2Å; V129-V174 HydrophobicContact CG2-CB 4.29Å; I130-V174 PolarHBondContact N-O 2.69Å; K172-V174 HydrophobicContact CD-CG2 4.37Å; K172-V174 HydrophobicContact CG-CG2 4.12Å; V174-A199 CarbonylContact C-O 3.1Å; V174-A199 VanDerWaalsContact CA-O 3.32Å; V174-A199 WeakPolarHBondContact CA-O 3.3Å; V174-A199 HydrophobicContact CG2-CB 4.26Å
175T97.4Very high92.2Very high0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-108.2148.7-178.569.30000111.4I130 I173 C183 F186 L190 A199 Q200 L201I130-T175 WeakPolarHBondContact O-CA 3.17Å; I173-T175 HydrophobicContact CG2-CG2 4.12Å; T175-C183 WeakPolarHBondContact OG1-CB 3.4Å; T175-F186 HydrophobicContact CG2-CD1 3.63Å; T175-F186 HydrophobicContact CG2-CE1 3.51Å; T175-L190 HydrophobicContact CG2-CD1 3.76Å; T175-A199 PolarHBondContact N-O 3.45Å; T175-Q200 CarbonylContact O-C 3.57Å; T175-Q200 VanDerWaalsContact O-CA 3.24Å; T175-Q200 WeakPolarHBondContact O-CA 3.38Å; T175-L201 PolarHBondContact O-N 3.06Å
176Y98.2Very high92.6Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-142.7159.1172.772.3-84.2000111.9F118 V129 I130 D131 A132 F143 A146 C183 I205 W219F118-Y176 HydrophobicContact CE2-CD1 4.48Å; F118-Y176 HydrophobicContact CZ-CD1 4.05Å; F118-Y176 HydrophobicContact CZ-CG 4.21Å; V129-Y176 HydrophobicContact CG1-CD1 3.6Å; V129-Y176 HydrophobicContact CG1-CE1 3.72Å; I130-Y176 WeakPolarHBondContact O-CD1 3.41Å; I130-Y176 PolarHBondContact O-N 3.47Å; D131-Y176 HydrophobicContact CB-CE1 3.84Å; D131-Y176 HydrophobicContact CB-CE2 4.19Å; D131-Y176 WeakPolarHBondContact CB-OH 3.38Å; D131-Y176 VanDerWaalsContact CG-CZ 3.43Å; D131-Y176 WeakPolarHBondContact OD2-CE2 3.29Å; D131-Y176 PolarHBondContact OD2-OH 3.13Å; A132-Y176 WeakPolarHBondContact CB-O 3.49Å; A132-Y176 PolarHBondContact N-O 3.04Å; F143-Y176 HydrophobicContact CD2-CD1 4.06Å; F143-Y176 AromaticContact CD2-CD2 3.71Å; F143-Y176 HydrophobicContact CD2-CD2 3.71Å; F143-Y176 AromaticContact CD2-CE1 3.91Å; F143-Y176 HydrophobicContact CD2-CE1 3.91Å; F143-Y176 AromaticContact CD2-CE2 3.55Å; F143-Y176 HydrophobicContact CD2-CE2 3.55Å; F143-Y176 AromaticContact CD2-CG 3.94Å; F143-Y176 HydrophobicContact CD2-CG 3.94Å; F143-Y176 AromaticContact CD2-CZ 3.62Å; F143-Y176 AromaticContact CE2-CD2 3.78Å; F143-Y176 HydrophobicContact CE2-CD2 3.78Å; F143-Y176 HydrophobicContact CE2-CE2 4.01Å; F143-Y176 HydrophobicContact CE2-CG 4.08Å; F143-Y176 PolarHBondContact N-OH 2.74Å; A146-Y176 HydrophobicContact CB-CE1 3.62Å; A146-Y176 VanDerWaalsContact CB-OH 3.26Å; A146-Y176 WeakPolarHBondContact CB-OH 3.38Å; Y176-C183 WeakPolarHBondContact CA-SG 3.44Å; Y176-I205 HydrophobicContact CD2-CD1 3.76Å; Y176-I205 HydrophobicContact CD2-CG1 3.69Å; Y176-I205 HydrophobicContact CE2-CD1 3.9Å; Y176-I205 HydrophobicContact CE2-CG1 4.15Å; Y176-W219 AromaticContact CE2-CZ3 3.97Å; Y176-W219 HydrophobicContact CE2-CZ3 3.97Å
177C96.9Very high93.2Very high1 Ų127.1 Ų27.11%0.00713%0.134CC..  trans-151.8-173.116970.40000109.6R133 G179 G180 R182 C183 G204 I205R133-C177 HydrophobicContact CG-CB 3.85Å; C177-G179 PolarHBondContact O-N 2.96Å; C177-G180 VanDerWaalsContact SG-CA 3.56Å; C177-G180 PolarHBondContact SG-N 3.2Å; C177-R182 HydrophobicContact CB-CB 4.1Å; C177-C183 PolarHBondContact N-SG 2.89Å; C177-C183 VanDerWaalsContact N-SG 3.44Å; C177-G204 VanDerWaalsContact O-CA 3.31Å; C177-G204 WeakPolarHBondContact O-CA 3.45Å; C177-I205 WeakPolarHBondContact O-CG1 3.5Å; C177-I205 PolarHBondContact O-N 3.3Å
178T95.8Very high93.9Very high14 Ų1422.2 Ų22.29%0.08611%0.11CC..SBendtrans-51.4-50.2-176.9-380000113.2E137 R182 I205 A206 M223E137-T178 PolarHBondContact OE1-OG1 3.13Å; T178-R182 PolarHBondContact OG1-NH2 2.99Å; T178-I205 PolarHBondContact O-N 2.81Å; T178-A206 WeakPolarHBondContact O-CB 3.46Å; T178-A206 PolarHBondContact O-N 2.92Å; T178-A206 VanDerWaalsContact O-N 3.08Å; T178-M223 HydrophobicContact CG2-CE 3.73Å; T178-M223 HydrophobicContact CG2-CG 4.18Å; T178-M223 HydrophobicContact CG2-SD 3.59Å; T178-M223 VanDerWaalsContact CG2-SD 3.59Å
179G94.1Very high94.3Very high6 Ų622.4 Ų22.46%0.06211%0.111CC..SBendtrans-134.35.1-170.200000115.5Y9 K74 C177 G203Y9-G179 WeakPolarHBondContact CE1-O 3.18Å; K74-G179 PolarHBondContact NZ-O 3.11Å; C177-G179 PolarHBondContact O-N 2.96Å; G179-G203 CarbonylContact C-O 3.36Å
180G95.2Very high95.2Very high1 Ų118.2 Ų18.21%0.019%0.09CC..SBendtrans102-38.3178.800000115C177 R182 C183 E184C177-G180 VanDerWaalsContact SG-CA 3.56Å; C177-G180 PolarHBondContact SG-N 3.2Å; G180-R182 VanDerWaalsContact C-N 3.33Å; G180-R182 PolarHBondContact O-N 2.8Å; G180-C183 WeakPolarHBondContact O-CA 2.98Å; G180-C183 VanDerWaalsContact O-CB 3.29Å; G180-C183 WeakPolarHBondContact O-CB 3.23Å; G180-C183 PolarHBondContact O-N 3.31Å; G180-E184 PolarHBondContact O-N 3.3Å
181I96.3Very high95.7Very high16 Ų1612.9 Ų12.98%0.0826%0.062CC..Hα-helixtrans-53.4-37.2-168.4-167.6175.2000116.3Y9 Y11 N45 L94 V95 C183 E184Y9-I181 HydrophobicContact CD1-CB 3.76Å; Y9-I181 HydrophobicContact CD1-CG1 4.39Å; Y9-I181 HydrophobicContact CD2-CB 4.2Å; Y9-I181 HydrophobicContact CD2-CD1 4.42Å; Y9-I181 HydrophobicContact CD2-CG1 4.03Å; Y9-I181 HydrophobicContact CE1-CB 4.12Å; Y9-I181 HydrophobicContact CG-CB 3.81Å; Y9-I181 HydrophobicContact CG-CD1 4.03Å; Y9-I181 HydrophobicContact CG-CG1 3.91Å; Y11-I181 HydrophobicContact CE2-CG1 4.07Å; Y11-I181 WeakPolarHBondContact OH-CG1 2.75Å; Y11-I181 PolarHBondContact OH-O 3.21Å; N45-I181 HydrophobicContact CB-CD1 3.56Å; N45-I181 WeakPolarHBondContact ND2-CD1 3.31Å; L94-I181 HydrophobicContact CB-CD1 3.9Å; L94-I181 HydrophobicContact CD1-CD1 4.39Å; V95-I181 HydrophobicContact CG1-CB 4.45Å; V95-I181 HydrophobicContact CG1-CD1 3.97Å; V95-I181 HydrophobicContact CG1-CG1 3.94Å; V95-I181 HydrophobicContact CG1-CG2 3.83Å; V95-I181 HydrophobicContact CG2-CG1 4.39Å; I181-C183 VanDerWaalsContact C-N 3.33Å; I181-E184 WeakPolarHBondContact O-CB 3.02Å; I181-E184 PolarHBondContact O-N 2.71Å
182R96.2Very high96Very high22 Ų2213.7 Ų13.78%0.0836%0.062CC..Hα-helixtrans-66.9-38.5177.9-76.4179.3-83.7-162-7.8111.7V95 A132 R133 E137 F154 C177 T178 G180 E184 F186V95-R182 HydrophobicContact CG1-CG 3.98Å; A132-R182 WeakPolarHBondContact O-CD 3.07Å; R133-R182 VanDerWaalsContact CA-NH1 3.33Å; E137-R182 IonicContact OE1-CZ 3.38Å; E137-R182 IonicContact OE1-NH1 2.78Å; E137-R182 IonicContact OE1-NH2 2.75Å; E137-R182 PolarHBondContact OE1-NH2 3.2Å; E137-R182 IonicContact OE2-CZ 2.9Å; E137-R182 IonicContact OE2-NH1 2.7Å; E137-R182 PolarHBondContact OE2-NH1 3.15Å; E137-R182 IonicContact OE2-NH2 3.84Å; E137-R182 PolarHBondContact OE2-NH2 2.85Å; F154-R182 HydrophobicContact CD1-CG 3.98Å; F154-R182 HydrophobicContact CD2-CB 4.27Å; F154-R182 HydrophobicContact CD2-CG 4.19Å; F154-R182 HydrophobicContact CE1-CB 4.05Å; F154-R182 HydrophobicContact CE1-CG 3.85Å; F154-R182 HydrophobicContact CE2-CB 3.75Å; F154-R182 HydrophobicContact CE2-CG 4.11Å; F154-R182 HydrophobicContact CG-CG 4.14Å; F154-R182 HydrophobicContact CZ-CB 3.62Å; F154-R182 HydrophobicContact CZ-CG 3.93Å; F154-R182 WeakPolarHBondContact CZ-O 2.94Å; C177-R182 HydrophobicContact CB-CB 4.1Å; T178-R182 PolarHBondContact OG1-NH2 2.99Å; G180-R182 VanDerWaalsContact C-N 3.33Å; G180-R182 PolarHBondContact O-N 2.8Å; R182-E184 PolarHBondContact O-N 3.04Å; R182-F186 VanDerWaalsContact O-CB 3.24Å; R182-F186 WeakPolarHBondContact O-CB 3.38Å; R182-F186 PolarHBondContact O-N 3.14Å; R182-F186 VanDerWaalsContact O-N 3.08Å
183C97Very high95.9Very high0 Ų013.7 Ų13.70%06%0.063CC..Hα-helixtrans-66.8-29-178.4-58.90000111.8T175 Y176 C177 G180 I181 F186 S187 Q200T175-C183 WeakPolarHBondContact OG1-CB 3.4Å; Y176-C183 WeakPolarHBondContact CA-SG 3.44Å; C177-C183 PolarHBondContact N-SG 2.89Å; C177-C183 VanDerWaalsContact N-SG 3.44Å; G180-C183 WeakPolarHBondContact O-CA 2.98Å; G180-C183 VanDerWaalsContact O-CB 3.29Å; G180-C183 WeakPolarHBondContact O-CB 3.23Å; G180-C183 PolarHBondContact O-N 3.31Å; I181-C183 VanDerWaalsContact C-N 3.33Å; C183-F186 PolarHBondContact O-N 3.21Å; C183-S187 WeakPolarHBondContact O-CB 3.38Å; C183-S187 PolarHBondContact O-N 2.85Å; C183-S187 PolarHBondContact O-OG 3.33Å; C183-Q200 HydrophobicContact CB-CB 3.85Å; C183-Q200 PolarHBondContact O-OE1 2.9Å
184E96.2Very high95.8Very high7 Ų716.2 Ų16.23%0.0339%0.089CC..Hα-helixtrans-57.1-56.2178.7-63.8-73.6-169.500111.7Y9 Y11 P105 T109 Y112 G180 I181 R182 S187 G188Y9-E184 HydrophobicContact CE2-CG 3.75Å; Y9-E184 WeakPolarHBondContact CE2-OE1 3.34Å; Y9-E184 PolarHBondContact OH-OE1 2.99Å; Y11-E184 HydrophobicContact CE2-CB 3.72Å; Y11-E184 HydrophobicContact CE2-CG 3.9Å; P105-E184 HydrophobicContact CB-CB 3.83Å; P105-E184 HydrophobicContact CG-CB 4.01Å; T109-E184 PolarHBondContact OG1-O 2.98Å; T109-E184 PolarHBondContact OG1-OE2 3.38Å; Y112-E184 PolarHBondContact OH-OE1 3.09Å; Y112-E184 PolarHBondContact OH-OE2 3.35Å; G180-E184 PolarHBondContact O-N 3.3Å; I181-E184 WeakPolarHBondContact O-CB 3.02Å; I181-E184 PolarHBondContact O-N 2.71Å; R182-E184 PolarHBondContact O-N 3.04Å; E184-S187 PolarHBondContact O-OG 3.5Å; E184-G188 PolarHBondContact O-N 3.37Å
185K94.9Very high95.6Very high0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-69.9-43.2175.5-72.8-161.2177-161.20112.4E42 E93 V95 L97 D102 P105 G188 W189E42-K185 WeakPolarHBondContact OE1-CE 3.22Å; E42-K185 IonicContact OE1-NZ 3.51Å; E42-K185 PolarHBondContact OE1-NZ 3.47Å; E42-K185 WeakPolarHBondContact OE2-CE 3.15Å; E42-K185 IonicContact OE2-NZ 3.59Å; E42-K185 PolarHBondContact OE2-NZ 3.01Å; E93-K185 IonicContact OE1-NZ 3.9Å; E93-K185 PolarHBondContact OE1-NZ 3.27Å; V95-K185 HydrophobicContact CG2-CD 4.02Å; V95-K185 HydrophobicContact CG2-CG 4.33Å; L97-K185 HydrophobicContact CD2-CB 3.96Å; D102-K185 IonicContact OD1-NZ 3.33Å; D102-K185 PolarHBondContact OD1-NZ 3.42Å; D102-K185 IonicContact OD2-NZ 2.95Å; D102-K185 PolarHBondContact OD2-NZ 3.25Å; P105-K185 HydrophobicContact CG-CG 3.8Å; K185-G188 PolarHBondContact O-N 2.87Å; K185-W189 PolarHBondContact O-N 2.85Å
186F96.5Very high95.3Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-67.6-41.4-172.3178.9-121.6000112.8A132 F154 L157 I161 T175 R182 C183 W189 L190A132-F186 HydrophobicContact CB-CD1 4.1Å; F154-F186 HydrophobicContact CE2-CB 4.08Å; F154-F186 HydrophobicContact CE2-CG 4.4Å; F154-F186 HydrophobicContact CZ-CB 3.97Å; L157-F186 HydrophobicContact CB-CE2 4.4Å; L157-F186 HydrophobicContact CD1-CZ 4.16Å; L157-F186 HydrophobicContact CD2-CD1 3.81Å; L157-F186 HydrophobicContact CD2-CD2 3.83Å; L157-F186 HydrophobicContact CD2-CE1 3.55Å; L157-F186 HydrophobicContact CD2-CE2 3.58Å; L157-F186 HydrophobicContact CD2-CG 3.95Å; L157-F186 HydrophobicContact CD2-CZ 3.43Å; L157-F186 VanDerWaalsContact CD2-CZ 3.43Å; L157-F186 HydrophobicContact CG-CD2 4.16Å; L157-F186 HydrophobicContact CG-CE1 4.17Å; L157-F186 HydrophobicContact CG-CE2 3.52Å; L157-F186 HydrophobicContact CG-CZ 3.53Å; I161-F186 HydrophobicContact CD1-CZ 3.92Å; I161-F186 HydrophobicContact CG1-CE2 3.95Å; I161-F186 HydrophobicContact CG1-CZ 3.65Å; T175-F186 HydrophobicContact CG2-CD1 3.63Å; T175-F186 HydrophobicContact CG2-CE1 3.51Å; R182-F186 VanDerWaalsContact O-CB 3.24Å; R182-F186 WeakPolarHBondContact O-CB 3.38Å; R182-F186 PolarHBondContact O-N 3.14Å; R182-F186 VanDerWaalsContact O-N 3.08Å; C183-F186 PolarHBondContact O-N 3.21Å; F186-W189 AromaticContact CD2-CE3 3.92Å; F186-W189 HydrophobicContact CD2-CE3 3.92Å; F186-W189 HydrophobicContact CD2-CZ3 4.47Å; F186-W189 AromaticContact CE2-CE3 3.68Å; F186-W189 HydrophobicContact CE2-CE3 3.68Å; F186-W189 AromaticContact CE2-CZ3 3.79Å; F186-W189 HydrophobicContact CE2-CZ3 3.79Å; F186-W189 WeakPolarHBondContact O-CB 3.12Å; F186-W189 PolarHBondContact O-N 3.42Å; F186-L190 HydrophobicContact CD1-CD1 4.21Å; F186-L190 HydrophobicContact CE1-CD1 3.8Å; F186-L190 HydrophobicContact CE1-CG 4.34Å; F186-L190 HydrophobicContact CE2-CD2 4.3Å; F186-L190 HydrophobicContact CE2-CG 4.24Å; F186-L190 HydrophobicContact CZ-CD1 3.99Å; F186-L190 HydrophobicContact CZ-CD2 4.07Å; F186-L190 HydrophobicContact CZ-CG 4.08Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 2.65Å
187S96.9Very high95.1Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-66.8-39176.263.90000112T109 G110 C183 E184 W189 L190 I191 Q200T109-S187 PolarHBondContact OG1-OG 3.25Å; G110-S187 PolarHBondContact N-OG 2.89Å; C183-S187 WeakPolarHBondContact O-CB 3.38Å; C183-S187 PolarHBondContact O-N 2.85Å; C183-S187 PolarHBondContact O-OG 3.33Å; E184-S187 PolarHBondContact O-OG 3.5Å; S187-W189 VanDerWaalsContact C-N 3.31Å; S187-W189 PolarHBondContact O-N 2.9Å; S187-L190 PolarHBondContact O-N 2.93Å; S187-I191 WeakPolarHBondContact O-CG1 3.4Å; S187-I191 PolarHBondContact O-N 3.17Å; S187-I191 VanDerWaalsContact O-N 3.11Å; S187-Q200 PolarHBondContact OG-NE2 2.81Å
188G96.3Very high95.1Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-61.1-40.3170.900000112.4L108 E184 K185 I191 R192L108-G188 WeakPolarHBondContact CD2-O 3.15Å; E184-G188 PolarHBondContact O-N 3.37Å; K185-G188 PolarHBondContact O-N 2.87Å; G188-I191 PolarHBondContact O-N 3.03Å; G188-R192 PolarHBondContact O-N 3.15Å; G188-R192 VanDerWaalsContact O-N 3.11Å
189W96.3Very high95.2Very high5 Ų529 Ų292%0.01915%0.151CC..Hα-helixtrans-63.1-42.8174.5176.181.1000112.2L99 I103 P158 I161 R162 K185 F186 S187 I191 R192 E193L99-W189 HydrophobicContact CD1-CB 4.13Å; L99-W189 HydrophobicContact CD1-CG 4.15Å; L99-W189 HydrophobicContact CD2-CG 4.19Å; I103-W189 HydrophobicContact CD1-CB 4.49Å; I103-W189 HydrophobicContact CG1-CB 4.15Å; P158-W189 VanDerWaalsContact CA-CH2 3.42Å; P158-W189 HydrophobicContact CB-CD2 4.22Å; P158-W189 HydrophobicContact CB-CE3 4.44Å; P158-W189 HydrophobicContact CB-CH2 3.78Å; P158-W189 HydrophobicContact CB-CZ2 3.48Å; P158-W189 VanDerWaalsContact CB-CZ2 3.48Å; P158-W189 HydrophobicContact CB-CZ3 4.24Å; P158-W189 HydrophobicContact CG-CD2 4.43Å; P158-W189 WeakPolarHBondContact O-CH2 3.29Å; I161-W189 HydrophobicContact CB-CH2 3.88Å; I161-W189 HydrophobicContact CB-CZ3 3.83Å; I161-W189 HydrophobicContact CG1-CZ3 4.12Å; I161-W189 HydrophobicContact CG2-CH2 3.93Å; I161-W189 HydrophobicContact CG2-CZ3 3.79Å; R162-W189 HydrophobicContact CG-CH2 4.27Å; R162-W189 HydrophobicContact CG-CZ2 4.34Å; K185-W189 PolarHBondContact O-N 2.85Å; F186-W189 AromaticContact CD2-CE3 3.92Å; F186-W189 HydrophobicContact CD2-CE3 3.92Å; F186-W189 HydrophobicContact CD2-CZ3 4.47Å; F186-W189 AromaticContact CE2-CE3 3.68Å; F186-W189 HydrophobicContact CE2-CE3 3.68Å; F186-W189 AromaticContact CE2-CZ3 3.79Å; F186-W189 HydrophobicContact CE2-CZ3 3.79Å; F186-W189 WeakPolarHBondContact O-CB 3.12Å; F186-W189 PolarHBondContact O-N 3.42Å; S187-W189 VanDerWaalsContact C-N 3.31Å; S187-W189 PolarHBondContact O-N 2.9Å; W189-I191 VanDerWaalsContact C-N 3.34Å; W189-I191 PolarHBondContact O-N 3.38Å; W189-R192 WeakPolarHBondContact O-CB 3.28Å; W189-R192 PolarHBondContact O-N 3.47Å; W189-R192 VanDerWaalsContact O-N 3.1Å; W189-E193 HydrophobicContact CD2-CG 3.84Å; W189-E193 HydrophobicContact CE3-CG 4.21Å; W189-E193 HydrophobicContact CG-CG 4.49Å; W189-E193 HydrophobicContact CH2-CG 3.72Å; W189-E193 HydrophobicContact CZ2-CG 3.31Å; W189-E193 HydrophobicContact CZ3-CG 4.15Å; W189-E193 PolarHBondContact NE1-OE1 3.5Å; W189-E193 WeakPolarHBondContact O-CG 3.06Å; W189-E193 PolarHBondContact O-N 3.29Å
190L95.8Very high95.4Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-57.9-44.8175.3-72.2170.1000111.9I161 I173 T175 F186 S187 R192 E193 G194 F195 V198I161-L190 HydrophobicContact CG1-CD2 4.41Å; I161-L190 HydrophobicContact CG2-CD2 3.87Å; I173-L190 HydrophobicContact CD1-CD2 4.48Å; I173-L190 HydrophobicContact CG2-CD1 3.8Å; T175-L190 HydrophobicContact CG2-CD1 3.76Å; F186-L190 HydrophobicContact CD1-CD1 4.21Å; F186-L190 HydrophobicContact CE1-CD1 3.8Å; F186-L190 HydrophobicContact CE1-CG 4.34Å; F186-L190 HydrophobicContact CE2-CD2 4.3Å; F186-L190 HydrophobicContact CE2-CG 4.24Å; F186-L190 HydrophobicContact CZ-CD1 3.99Å; F186-L190 HydrophobicContact CZ-CD2 4.07Å; F186-L190 HydrophobicContact CZ-CG 4.08Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 2.65Å; S187-L190 PolarHBondContact O-N 2.93Å; L190-R192 VanDerWaalsContact C-N 3.28Å; L190-R192 PolarHBondContact O-N 2.84Å; L190-E193 PolarHBondContact O-N 3.27Å; L190-E193 VanDerWaalsContact O-N 3.16Å; L190-G194 PolarHBondContact O-N 3.22Å; L190-F195 HydrophobicContact CB-CB 4.46Å; L190-F195 HydrophobicContact CB-CD2 4.02Å; L190-F195 HydrophobicContact CD2-CD2 3.61Å; L190-F195 HydrophobicContact CD2-CE2 3.67Å; L190-F195 HydrophobicContact CD2-CG 4.49Å; L190-F195 HydrophobicContact CG-CD2 4.44Å; L190-F195 VanDerWaalsContact O-CD2 3.31Å; L190-F195 WeakPolarHBondContact O-CD2 3.26Å; L190-F195 PolarHBondContact O-N 3.19Å; L190-F195 VanDerWaalsContact O-N 3.17Å; L190-V198 HydrophobicContact CB-CG1 4.01Å; L190-V198 HydrophobicContact CB-CG2 3.86Å; L190-V198 HydrophobicContact CD1-CG1 3.88Å
191I95.3Very high95.6Very high58 Ų5828.8 Ų28.830%0.29715%0.148SC..Hα-helixtrans-59.9-42.3176.5-63.9165.1000110.4L108 S187 G188 W189 E193 G194 V198L108-I191 HydrophobicContact CD1-CB 4.25Å; L108-I191 HydrophobicContact CD1-CD1 4.19Å; L108-I191 HydrophobicContact CD1-CG2 3.88Å; S187-I191 WeakPolarHBondContact O-CG1 3.4Å; S187-I191 PolarHBondContact O-N 3.17Å; S187-I191 VanDerWaalsContact O-N 3.11Å; G188-I191 PolarHBondContact O-N 3.03Å; W189-I191 VanDerWaalsContact C-N 3.34Å; W189-I191 PolarHBondContact O-N 3.38Å; I191-E193 VanDerWaalsContact C-N 3.33Å; I191-E193 PolarHBondContact O-N 3.03Å; I191-G194 PolarHBondContact O-N 3.41Å; I191-G194 VanDerWaalsContact O-N 3.13Å; I191-V198 HydrophobicContact CD1-CB 4.41Å; I191-V198 HydrophobicContact CG1-CB 3.85Å; I191-V198 HydrophobicContact CG1-CG1 4.45Å; I191-V198 HydrophobicContact CG1-CG2 3.93Å
192R94Very high95.6Very high105 Ų10531 Ų3140%0.39616%0.157SC..Hα-helixtrans-63.9-35.2177.4-170-172.6-71.2167.6-6.3112.8E101 D102 I103 L108 G188 W189 L190 G194E101-R192 PolarHBondContact O-NH1 3.38Å; D102-R192 PolarHBondContact O-NH2 2.92Å; I103-R192 HydrophobicContact CD1-CB 4.42Å; L108-R192 HydrophobicContact CD2-CB 4.37Å; G188-R192 PolarHBondContact O-N 3.15Å; G188-R192 VanDerWaalsContact O-N 3.11Å; W189-R192 WeakPolarHBondContact O-CB 3.28Å; W189-R192 PolarHBondContact O-N 3.47Å; W189-R192 VanDerWaalsContact O-N 3.1Å; L190-R192 VanDerWaalsContact C-N 3.28Å; L190-R192 PolarHBondContact O-N 2.84Å; R192-G194 PolarHBondContact O-N 3.02Å
193E92.7Very high95.5Very high52 Ų5230 Ų3024%0.24315%0.154CC..THydrogen-bonded Turntrans-74.4-3.1176.4-66.2-76.1134.800113.8R162 K165 W189 L190 I191 F195R162-E193 IonicContact CZ-OE1 3.46Å; R162-E193 IonicContact CZ-OE2 3.45Å; R162-E193 IonicContact NE-OE1 3.14Å; R162-E193 IonicContact NE-OE2 3.21Å; R162-E193 PolarHBondContact NE-OE2 3.43Å; R162-E193 IonicContact NH2-OE1 3.85Å; R162-E193 PolarHBondContact NH2-OE1 2.9Å; R162-E193 IonicContact NH2-OE2 3.45Å; K165-E193 PolarHBondContact NZ-O 3.29Å; W189-E193 HydrophobicContact CD2-CG 3.84Å; W189-E193 HydrophobicContact CE3-CG 4.21Å; W189-E193 HydrophobicContact CG-CG 4.49Å; W189-E193 HydrophobicContact CH2-CG 3.72Å; W189-E193 HydrophobicContact CZ2-CG 3.31Å; W189-E193 HydrophobicContact CZ3-CG 4.15Å; W189-E193 PolarHBondContact NE1-OE1 3.5Å; W189-E193 WeakPolarHBondContact O-CG 3.06Å; W189-E193 PolarHBondContact O-N 3.29Å; L190-E193 PolarHBondContact O-N 3.27Å; L190-E193 VanDerWaalsContact O-N 3.16Å; I191-E193 VanDerWaalsContact C-N 3.33Å; I191-E193 PolarHBondContact O-N 3.03Å; E193-F195 HydrophobicContact CB-CD2 4.25Å; E193-F195 HydrophobicContact CB-CE2 4.27Å
194G92.6Very high95.6Very high54 Ų5430 Ų3056%0.55715%0.154SC*.THydrogen-bonded Turntrans98.117.4173.300000115.1L190 I191 R192L190-G194 PolarHBondContact O-N 3.22Å; I191-G194 PolarHBondContact O-N 3.41Å; I191-G194 VanDerWaalsContact O-N 3.13Å; R192-G194 PolarHBondContact O-N 3.02Å
195F93.8Very high95.6Very high12 Ų1229.7 Ų29.75%0.05315%0.152CC..  trans-78.5126.7169.8-65.2-76.7000110.2I161 K165 F168 M169 I173 L190 E193 V198I161-F195 HydrophobicContact CG2-CE2 3.75Å; I161-F195 HydrophobicContact CG2-CZ 3.89Å; K165-F195 HydrophobicContact CG-CE1 4.43Å; K165-F195 HydrophobicContact CG-CZ 4.03Å; F168-F195 HydrophobicContact CB-CE1 3.87Å; F168-F195 HydrophobicContact CB-CZ 4.47Å; M169-F195 HydrophobicContact SD-CE1 4.35Å; I173-F195 HydrophobicContact CD1-CB 4.14Å; I173-F195 HydrophobicContact CD1-CD1 3.32Å; I173-F195 HydrophobicContact CD1-CD2 4.21Å; I173-F195 HydrophobicContact CD1-CE1 3.63Å; I173-F195 HydrophobicContact CD1-CE2 4.47Å; I173-F195 HydrophobicContact CD1-CG 3.63Å; I173-F195 HydrophobicContact CD1-CZ 4.19Å; L190-F195 HydrophobicContact CB-CB 4.46Å; L190-F195 HydrophobicContact CB-CD2 4.02Å; L190-F195 HydrophobicContact CD2-CD2 3.61Å; L190-F195 HydrophobicContact CD2-CE2 3.67Å; L190-F195 HydrophobicContact CD2-CG 4.49Å; L190-F195 HydrophobicContact CG-CD2 4.44Å; L190-F195 VanDerWaalsContact O-CD2 3.31Å; L190-F195 WeakPolarHBondContact O-CD2 3.26Å; L190-F195 PolarHBondContact O-N 3.19Å; L190-F195 VanDerWaalsContact O-N 3.17Å; E193-F195 HydrophobicContact CB-CD2 4.25Å; E193-F195 HydrophobicContact CB-CE2 4.27Å; F195-V198 HydrophobicContact CB-CG2 3.61Å
196E89.9Confident95.6Very high198 Ų19830 Ų3093%0.92516%0.155SC*.SBendtrans-82.1-47-170.2-61.9-171.1169.300113.7
197D94.4Very high95.6Very high70 Ų7030.6 Ų30.637%0.37416%0.16SC..SBendtrans-107.790.9-179.8-168.8-3.4000110.6K172 I173K172-D197 CarbonylContact C-O 3.46Å; K172-D197 WeakPolarHBondContact CA-O 3.21Å; K172-D197 HydrophobicContact CB-CB 4.27Å; K172-D197 WeakPolarHBondContact CD-OD2 3.37Å; K172-D197 HydrophobicContact CG-CB 4.28Å; K172-D197 WeakPolarHBondContact CG-OD2 3.38Å; I173-D197 PolarHBondContact N-O 2.74Å
198V97.2Very high95.6Very high3 Ų330.6 Ų30.62%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-115.4127.8179.2-175.60000110.2N111 I173 L190 I191 F195N111-V198 PolarHBondContact N-O 3.07Å; I173-V198 CarbonylContact O-C 3.55Å; I173-V198 WeakPolarHBondContact O-CA 3.32Å; L190-V198 HydrophobicContact CB-CG1 4.01Å; L190-V198 HydrophobicContact CB-CG2 3.86Å; L190-V198 HydrophobicContact CD1-CG1 3.88Å; I191-V198 HydrophobicContact CD1-CB 4.41Å; I191-V198 HydrophobicContact CG1-CB 3.85Å; I191-V198 HydrophobicContact CG1-CG1 4.45Å; I191-V198 HydrophobicContact CG1-CG2 3.93Å; F195-V198 HydrophobicContact CB-CG2 3.61Å
199A97.9Very high95.6Very high1 Ų130.8 Ų30.81%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-134.8170.6175.900000112.2N111 L113 I173 V174 T175N111-A199 HydrophobicContact CB-CB 4.13Å; N111-A199 CarbonylContact O-C 3.49Å; N111-A199 WeakPolarHBondContact O-CA 3.08Å; N111-A199 VanDerWaalsContact O-CB 3.3Å; N111-A199 WeakPolarHBondContact O-CB 3.25Å; L113-A199 HydrophobicContact CD1-CB 4.02Å; L113-A199 HydrophobicContact CD2-CB 4.19Å; L113-A199 HydrophobicContact CG-CB 3.82Å; I173-A199 PolarHBondContact O-N 2.9Å; V174-A199 CarbonylContact C-O 3.1Å; V174-A199 VanDerWaalsContact CA-O 3.32Å; V174-A199 WeakPolarHBondContact CA-O 3.3Å; V174-A199 HydrophobicContact CG2-CB 4.26Å; T175-A199 PolarHBondContact N-O 3.45Å
200Q98.3Very high95.5Very high1 Ų135 Ų351%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-147.2150.4-18062.1-175.4-47.300112.1T109 G110 N111 Y112 L113 T175 C183 S187 H202T109-Q200 PolarHBondContact OG1-NE2 3.48Å; G110-Q200 PolarHBondContact O-NE2 3.38Å; G110-Q200 VanDerWaalsContact O-NE2 3.07Å; N111-Q200 PolarHBondContact O-N 3.32Å; Y112-Q200 HydrophobicContact CD1-CG 4Å; Y112-Q200 HydrophobicContact CE1-CG 4.29Å; L113-Q200 PolarHBondContact N-O 2.92Å; T175-Q200 CarbonylContact O-C 3.57Å; T175-Q200 VanDerWaalsContact O-CA 3.24Å; T175-Q200 WeakPolarHBondContact O-CA 3.38Å; C183-Q200 HydrophobicContact CB-CB 3.85Å; C183-Q200 PolarHBondContact O-OE1 2.9Å; S187-Q200 PolarHBondContact OG-NE2 2.81Å; Q200-H202 PolarHBondContact O-N 3.45Å
201L98.2Very high95.5Very high1 Ų137.3 Ų37.31%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-69.5112.2174.7174.656.9000110.9F118 F143 T175 G203 G204 Y208F118-L201 HydrophobicContact CB-CD1 3.71Å; F118-L201 HydrophobicContact CD1-CD1 4.01Å; F118-L201 HydrophobicContact CD1-CD2 4.12Å; F118-L201 HydrophobicContact CD1-CG 4.49Å; F118-L201 HydrophobicContact CD2-CB 3.71Å; F118-L201 HydrophobicContact CD2-CD1 4.16Å; F118-L201 HydrophobicContact CD2-CG 4.33Å; F118-L201 HydrophobicContact CE1-CD2 4Å; F118-L201 HydrophobicContact CE2-CB 3.87Å; F118-L201 HydrophobicContact CE2-CD2 4.44Å; F118-L201 HydrophobicContact CG-CB 4.15Å; F118-L201 HydrophobicContact CG-CD1 3.7Å; F118-L201 HydrophobicContact CG-CD2 4.37Å; F118-L201 HydrophobicContact CG-CG 4.27Å; F118-L201 HydrophobicContact CZ-CB 4.41Å; F118-L201 HydrophobicContact CZ-CD2 4.18Å; F143-L201 HydrophobicContact CE2-CD2 3.97Å; F143-L201 HydrophobicContact CZ-CD2 4.15Å; T175-L201 PolarHBondContact O-N 3.06Å; L201-G203 PolarHBondContact O-N 3.15Å; L201-G204 PolarHBondContact O-N 3.45Å; L201-Y208 HydrophobicContact CD1-CD2 4.1Å; L201-Y208 HydrophobicContact CD2-CD2 4.46Å; L201-Y208 HydrophobicContact CD2-CG 4.49Å
202H97Very high95.5Very high62 Ų6243.1 Ų43.129%0.28722%0.218SC..THydrogen-bonded Turntrans-64.1124.5178.3-171-149.6000110.7Y112 L113 E114 Q200 G204Y112-H202 HydrophobicContact CD1-CB 4.14Å; Y112-H202 AromaticContact CD1-CD2 3.73Å; L113-H202 WeakPolarHBondContact O-CB 3.41Å; L113-H202 PolarHBondContact O-N 2.9Å; E114-H202 IonicContact OE1-CE1 3.93Å; E114-H202 IonicContact OE1-CG 2.74Å; E114-H202 IonicContact OE1-ND1 3.62Å; E114-H202 PolarHBondContact OE1-ND1 3.46Å; E114-H202 IonicContact OE2-ND1 2.67Å; Q200-H202 PolarHBondContact O-N 3.45Å; H202-G204 PolarHBondContact O-N 3.37Å
203G95.3Very high95.5Very high1 Ų142.7 Ų42.71%0.0123%0.228CC..THydrogen-bonded Turntrans75.2-2.3-176.300000115.6K74 G179 L201K74-G203 VanDerWaalsContact CE-CA 3.44Å; K74-G203 WeakPolarHBondContact CE-O 3.29Å; G179-G203 CarbonylContact C-O 3.36Å; L201-G203 PolarHBondContact O-N 3.15Å
204G97.1Very high95.6Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans66.1-167.8178.800000114.4C177 L201 H202 A206 A207 Y208C177-G204 VanDerWaalsContact O-CA 3.31Å; C177-G204 WeakPolarHBondContact O-CA 3.45Å; L201-G204 PolarHBondContact O-N 3.45Å; H202-G204 PolarHBondContact O-N 3.37Å; G204-A206 PolarHBondContact O-N 3.43Å; G204-A207 PolarHBondContact O-N 3.23Å; G204-A207 VanDerWaalsContact O-N 3.11Å; G204-Y208 PolarHBondContact O-N 3.21Å; G204-Y208 VanDerWaalsContact O-N 3.12Å
205I97.7Very high95.7Very high0 Ų043.2 Ų43.20%021%0.211CC..Hα-helixtrans-56.3-37.8-177.3-58.2154000111.4F143 Y176 C177 T178 A207 Y208 G209 W219 M223 I234F143-I205 HydrophobicContact CE2-CG1 3.8Å; F143-I205 HydrophobicContact CZ-CG1 4.32Å; Y176-I205 HydrophobicContact CD2-CD1 3.76Å; Y176-I205 HydrophobicContact CD2-CG1 3.69Å; Y176-I205 HydrophobicContact CE2-CD1 3.9Å; Y176-I205 HydrophobicContact CE2-CG1 4.15Å; C177-I205 WeakPolarHBondContact O-CG1 3.5Å; C177-I205 PolarHBondContact O-N 3.3Å; T178-I205 PolarHBondContact O-N 2.81Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.37Å; I205-Y208 PolarHBondContact O-N 3.21Å; I205-G209 PolarHBondContact O-N 3.14Å; I205-W219 HydrophobicContact CB-CZ3 4.29Å; I205-W219 HydrophobicContact CD1-CE3 4.47Å; I205-W219 HydrophobicContact CD1-CH2 3.36Å; I205-W219 HydrophobicContact CD1-CZ2 4.46Å; I205-W219 HydrophobicContact CD1-CZ3 3.38Å; I205-W219 HydrophobicContact CG1-CE3 4.23Å; I205-W219 HydrophobicContact CG1-CH2 4Å; I205-W219 HydrophobicContact CG1-CZ3 3.53Å; I205-W219 HydrophobicContact CG2-CD2 4.12Å; I205-W219 HydrophobicContact CG2-CE3 3.77Å; I205-W219 HydrophobicContact CG2-CH2 3.97Å; I205-W219 HydrophobicContact CG2-CZ2 4.31Å; I205-W219 HydrophobicContact CG2-CZ3 3.7Å; I205-M223 HydrophobicContact CB-SD 3.48Å; I205-M223 WeakPolarHBondContact CB-SD 3.5Å; I205-M223 HydrophobicContact CD1-CG 4.26Å; I205-M223 HydrophobicContact CD1-SD 4.07Å; I205-M223 HydrophobicContact CG1-SD 4.41Å; I205-M223 HydrophobicContact CG2-CB 4.34Å; I205-M223 HydrophobicContact CG2-CG 4.16Å; I205-M223 HydrophobicContact CG2-SD 3.41Å; I205-M223 WeakPolarHBondContact CG2-SD 3.11Å; I205-I234 HydrophobicContact CG2-CB 4.44Å; I205-I234 HydrophobicContact CG2-CD1 3.96Å; I205-I234 HydrophobicContact CG2-CG1 3.78Å; I205-I234 HydrophobicContact CG2-CG2 3.87Å
206A95.3Very high95.8Very high7 Ų742.6 Ų42.66%0.05821%0.208CC..Hα-helixtrans-60.9-37.2179.500000113.5L7 K74 T178 G204 M223L7-A206 HydrophobicContact CD2-CB 4.23Å; K74-A206 HydrophobicContact CD-CB 4.34Å; T178-A206 WeakPolarHBondContact O-CB 3.46Å; T178-A206 PolarHBondContact O-N 2.92Å; T178-A206 VanDerWaalsContact O-N 3.08Å; G204-A206 PolarHBondContact O-N 3.43Å; A206-M223 HydrophobicContact CB-CE 4.38Å
207A96.1Very high96Very high12 Ų1235.4 Ų35.410%0.09917%0.174CC..Hα-helixtrans-76.7-39.3175.100000111.2G204 I205 G209 K210 N211G204-A207 PolarHBondContact O-N 3.23Å; G204-A207 VanDerWaalsContact O-N 3.11Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.37Å; A207-G209 PolarHBondContact O-N 3.11Å; A207-K210 PolarHBondContact O-N 3.43Å; A207-N211 PolarHBondContact O-N 2.92Å; A207-N211 VanDerWaalsContact O-N 3.11Å
208Y97.3Very high95.9Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-59.6-44.6177.4-173.6-83.7000112.8P115 F118 R119 F143 L201 G204 I205 K210 N211 T214 E217P115-Y208 HydrophobicContact CB-CD2 3.84Å; P115-Y208 HydrophobicContact CB-CE2 4.43Å; P115-Y208 VanDerWaalsContact O-CE2 3.32Å; P115-Y208 WeakPolarHBondContact O-CE2 3.24Å; F118-Y208 AromaticContact CD1-CD2 3.78Å; F118-Y208 HydrophobicContact CD1-CD2 3.78Å; F118-Y208 AromaticContact CD1-CE2 3.65Å; F118-Y208 HydrophobicContact CD1-CE2 3.65Å; F118-Y208 HydrophobicContact CE1-CD2 4.46Å; F118-Y208 HydrophobicContact CE1-CE2 4.39Å; R119-Y208 HydrophobicContact CB-CE2 4.18Å; F143-Y208 AromaticContact CE1-CD1 3.57Å; F143-Y208 HydrophobicContact CE1-CD1 3.57Å; F143-Y208 HydrophobicContact CE1-CD2 4.49Å; F143-Y208 AromaticContact CE1-CE1 3.51Å; F143-Y208 HydrophobicContact CE1-CE1 3.51Å; F143-Y208 HydrophobicContact CE1-CE2 4.42Å; F143-Y208 HydrophobicContact CE1-CG 4.1Å; F143-Y208 AromaticContact CE1-CZ 3.95Å; F143-Y208 AromaticContact CZ-CD1 3.68Å; F143-Y208 HydrophobicContact CZ-CD1 3.68Å; F143-Y208 HydrophobicContact CZ-CD2 4.28Å; F143-Y208 HydrophobicContact CZ-CE1 4.09Å; F143-Y208 AromaticContact CZ-CG 3.8Å; F143-Y208 HydrophobicContact CZ-CG 3.8Å; L201-Y208 HydrophobicContact CD1-CD2 4.1Å; L201-Y208 HydrophobicContact CD2-CD2 4.46Å; L201-Y208 HydrophobicContact CD2-CG 4.49Å; G204-Y208 PolarHBondContact O-N 3.21Å; G204-Y208 VanDerWaalsContact O-N 3.12Å; I205-Y208 PolarHBondContact O-N 3.21Å; Y208-K210 PolarHBondContact O-N 3.43Å; Y208-N211 PolarHBondContact O-N 3.26Å; Y208-T214 HydrophobicContact CD2-CG2 4.37Å; Y208-T214 HydrophobicContact CE2-CG2 3.76Å; Y208-T214 PolarHBondContact O-OG1 2.69Å; Y208-E217 VanDerWaalsContact CE1-O 3.23Å; Y208-E217 WeakPolarHBondContact CE1-O 3.32Å; Y208-E217 PolarHBondContact OH-O 3.06Å
209G95.7Very high95.8Very high4 Ų432.9 Ų32.94%0.04116%0.161CC..THydrogen-bonded Turntrans-64.4-23.3178.300000114.8I205 A207 Q236I205-G209 PolarHBondContact O-N 3.14Å; A207-G209 PolarHBondContact O-N 3.11Å; G209-Q236 PolarHBondContact O-NE2 2.88Å
210K94Very high95.6Very high95 Ų9533.7 Ų33.741%0.41317%0.165SC..THydrogen-bonded Turntrans-98.9-10.8-177.8-69.5179-174.7166.10114.1M75 D76 A207 Y208 E212M75-K210 VanDerWaalsContact C-NZ 3.26Å; M75-K210 PolarHBondContact O-NZ 2.94Å; D76-K210 WeakPolarHBondContact OD1-CE 3.47Å; D76-K210 IonicContact OD1-NZ 2.75Å; D76-K210 PolarHBondContact OD1-NZ 2.83Å; A207-K210 PolarHBondContact O-N 3.43Å; Y208-K210 PolarHBondContact O-N 3.43Å; K210-E212 PolarHBondContact O-N 2.79Å
211N96Very high95.3Very high47 Ų4733.8 Ų33.825%0.25117%0.166SC..  trans-65.1133.9178.3179.4-84.6000110P115 A207 Y208 T213 T214 R215P115-N211 HydrophobicContact CB-CB 3.74Å; P115-N211 HydrophobicContact CG-CB 3.92Å; A207-N211 PolarHBondContact O-N 2.92Å; A207-N211 VanDerWaalsContact O-N 3.11Å; Y208-N211 PolarHBondContact O-N 3.26Å; N211-T213 PolarHBondContact O-N 2.99Å; N211-T213 WeakPolarHBondContact OD1-CA 3.33Å; N211-T213 WeakPolarHBondContact OD1-CB 3.26Å; N211-T213 PolarHBondContact OD1-N 3.31Å; N211-T214 WeakPolarHBondContact CB-OG1 3.45Å; N211-T214 PolarHBondContact OD1-N 3.03Å; N211-T214 VanDerWaalsContact OD1-N 3.12Å; N211-R215 WeakPolarHBondContact O-CA 3.35Å; N211-R215 PolarHBondContact O-N 3.23Å
212E94.7Very high95Very high180 Ų18035.8 Ų35.884%0.84118%0.175SC*.THydrogen-bonded Turntrans-63.5-27.9-174.7-63.6-176.9171.900113.3K210 R215K210-E212 PolarHBondContact O-N 2.79Å; E212-R215 WeakPolarHBondContact O-CD 3.29Å; E212-R215 VanDerWaalsContact O-CG 3.23Å; E212-R215 WeakPolarHBondContact O-CG 3.4Å
213T94.2Very high94.9Very high97 Ų9733 Ų3360%0.59516%0.162SC*.THydrogen-bonded Turntrans-86.2-51.4-178-49.90000111.3N211N211-T213 PolarHBondContact O-N 2.99Å; N211-T213 WeakPolarHBondContact OD1-CA 3.33Å; N211-T213 WeakPolarHBondContact OD1-CB 3.26Å; N211-T213 PolarHBondContact OD1-N 3.31Å
214T94.3Very high94.6Very high0 Ų034.2 Ų34.20%017%0.167CC..THydrogen-bonded Turntrans-79.9-36.4-175.363.60000112.3P115 R119 Y208 N211 G216 E217P115-T214 HydrophobicContact CB-CG2 3.97Å; P115-T214 WeakPolarHBondContact O-CG2 3.27Å; R119-T214 HydrophobicContact CB-CG2 4.12Å; Y208-T214 HydrophobicContact CD2-CG2 4.37Å; Y208-T214 HydrophobicContact CE2-CG2 3.76Å; Y208-T214 PolarHBondContact O-OG1 2.69Å; N211-T214 WeakPolarHBondContact CB-OG1 3.45Å; N211-T214 PolarHBondContact OD1-N 3.03Å; N211-T214 VanDerWaalsContact OD1-N 3.12Å; T214-G216 PolarHBondContact O-N 2.73Å; T214-E217 VanDerWaalsContact O-CB 3.24Å; T214-E217 WeakPolarHBondContact O-CB 3.43Å; T214-E217 PolarHBondContact O-N 3.15Å
215R95.6Very high94.3Very high116 Ų11634.6 Ų34.644%0.43817%0.169SC..THydrogen-bonded Turntrans49.130.6178.1-58.2177.260.1-166.9-5.8113.8N211 E212 E217 Q236 V237N211-R215 WeakPolarHBondContact O-CA 3.35Å; N211-R215 PolarHBondContact O-N 3.23Å; E212-R215 WeakPolarHBondContact O-CD 3.29Å; E212-R215 VanDerWaalsContact O-CG 3.23Å; E212-R215 WeakPolarHBondContact O-CG 3.4Å; R215-E217 VanDerWaalsContact C-N 3.35Å; R215-Q236 HydrophobicContact CB-CB 4.44Å; R215-Q236 PolarHBondContact O-N 2.9Å; R215-V237 HydrophobicContact CB-CG2 3.68Å
216G94.7Very high93.8Very high0 Ų038.6 Ų38.60%019%0.186CC..THydrogen-bonded Turntrans73.614.2-176.800000116.1T214 W219 N235T214-G216 PolarHBondContact O-N 2.73Å; G216-W219 VanDerWaalsContact O-CB 3.29Å; G216-W219 WeakPolarHBondContact O-CB 3.44Å; G216-W219 PolarHBondContact O-N 3.03Å; G216-N235 WeakPolarHBondContact O-CA 3.36Å; G216-N235 WeakPolarHBondContact O-CB 3.46Å; G216-N235 PolarHBondContact O-ND2 2.82Å; G216-N235 PolarHBondContact O-OD1 2.96Å
217E94.1Very high93.4Very high47 Ų4739.1 Ų39.122%0.2219%0.188CC..THydrogen-bonded Turntrans-50.4148.4173-166.9-174.2-16900111.3R119 Y208 T214 R215 W219 V237R119-E217 IonicContact CZ-OE2 3.66Å; R119-E217 VanDerWaalsContact CZ-OE2 3.24Å; R119-E217 IonicContact NE-OE2 3.2Å; R119-E217 PolarHBondContact NE-OE2 2.87Å; R119-E217 IonicContact NH2-OE1 3.18Å; R119-E217 PolarHBondContact NH2-OE1 3.47Å; R119-E217 IonicContact NH2-OE2 3.62Å; R119-E217 PolarHBondContact NH2-OE2 3.03Å; Y208-E217 VanDerWaalsContact CE1-O 3.23Å; Y208-E217 WeakPolarHBondContact CE1-O 3.32Å; Y208-E217 PolarHBondContact OH-O 3.06Å; T214-E217 VanDerWaalsContact O-CB 3.24Å; T214-E217 WeakPolarHBondContact O-CB 3.43Å; T214-E217 PolarHBondContact O-N 3.15Å; R215-E217 VanDerWaalsContact C-N 3.35Å; E217-W219 PolarHBondContact O-N 3.48Å; E217-W219 VanDerWaalsContact O-N 3.09Å; E217-V237 HydrophobicContact CB-CB 4.44Å; E217-V237 HydrophobicContact CB-CG2 4.37Å; E217-V237 HydrophobicContact CG-CG1 4.49Å
218L92.9Very high93Very high19 Ų1943.3 Ų43.310%0.09921%0.206CC..THydrogen-bonded Turntrans66.6-2.3-176.7-50.3176.8000115.8R119 L122 L123 F143 R144R119-L218 HydrophobicContact CG-CD1 4.21Å; L122-L218 HydrophobicContact CB-CD1 4.09Å; L122-L218 HydrophobicContact CD1-CB 4.31Å; L122-L218 HydrophobicContact CD1-CD1 3.98Å; L123-L218 HydrophobicContact CD2-CD1 4.03Å; L123-L218 HydrophobicContact CG-CD1 4.27Å; F143-L218 WeakPolarHBondContact CA-O 3.49Å; R144-L218 PolarHBondContact N-O 2.94Å
219W96.4Very high92.5Very high0 Ų046.4 Ų46.40%022%0.217CC..EExtended strand (participates in β ladder)trans-84.6124.4167.8179.8-83.8000110.4G141 F143 Y176 I205 G216 E217 G221 M223 I234 N235G141-W219 VanDerWaalsContact O-CH2 3.25Å; G141-W219 WeakPolarHBondContact O-CH2 3.04Å; G141-W219 VanDerWaalsContact O-CZ2 3.26Å; G141-W219 WeakPolarHBondContact O-CZ2 3.29Å; F143-W219 HydrophobicContact CD1-CB 4.17Å; F143-W219 AromaticContact CD1-CE3 3.86Å; F143-W219 HydrophobicContact CD1-CE3 3.86Å; F143-W219 AromaticContact CD2-CE3 3.84Å; F143-W219 HydrophobicContact CD2-CE3 3.84Å; F143-W219 AromaticContact CD2-CZ3 3.91Å; F143-W219 HydrophobicContact CD2-CZ3 3.91Å; F143-W219 HydrophobicContact CE1-CB 4.04Å; F143-W219 AromaticContact CE1-CE3 3.82Å; F143-W219 HydrophobicContact CE1-CE3 3.82Å; F143-W219 AromaticContact CE2-CE3 3.8Å; F143-W219 HydrophobicContact CE2-CE3 3.8Å; F143-W219 AromaticContact CE2-CZ3 3.93Å; F143-W219 HydrophobicContact CE2-CZ3 3.93Å; F143-W219 AromaticContact CG-CE3 3.86Å; F143-W219 HydrophobicContact CG-CE3 3.86Å; F143-W219 HydrophobicContact CG-CZ3 4.31Å; F143-W219 AromaticContact CZ-CE3 3.78Å; F143-W219 HydrophobicContact CZ-CE3 3.78Å; F143-W219 HydrophobicContact CZ-CZ3 4.35Å; Y176-W219 AromaticContact CE2-CZ3 3.97Å; Y176-W219 HydrophobicContact CE2-CZ3 3.97Å; I205-W219 HydrophobicContact CB-CZ3 4.29Å; I205-W219 HydrophobicContact CD1-CE3 4.47Å; I205-W219 HydrophobicContact CD1-CH2 3.36Å; I205-W219 HydrophobicContact CD1-CZ2 4.46Å; I205-W219 HydrophobicContact CD1-CZ3 3.38Å; I205-W219 HydrophobicContact CG1-CE3 4.23Å; I205-W219 HydrophobicContact CG1-CH2 4Å; I205-W219 HydrophobicContact CG1-CZ3 3.53Å; I205-W219 HydrophobicContact CG2-CD2 4.12Å; I205-W219 HydrophobicContact CG2-CE3 3.77Å; I205-W219 HydrophobicContact CG2-CH2 3.97Å; I205-W219 HydrophobicContact CG2-CZ2 4.31Å; I205-W219 HydrophobicContact CG2-CZ3 3.7Å; G216-W219 VanDerWaalsContact O-CB 3.29Å; G216-W219 WeakPolarHBondContact O-CB 3.44Å; G216-W219 PolarHBondContact O-N 3.03Å; E217-W219 PolarHBondContact O-N 3.48Å; E217-W219 VanDerWaalsContact O-N 3.09Å; W219-G221 VanDerWaalsContact CD1-O 3.29Å; W219-G221 PolarHBondContact NE1-O 2.95Å; W219-M223 HydrophobicContact CH2-CB 4.46Å; W219-M223 HydrophobicContact CZ2-CB 3.81Å; W219-M223 HydrophobicContact CZ2-CG 4.36Å; W219-I234 HydrophobicContact CB-CG2 3.99Å; W219-I234 HydrophobicContact CD2-CB 4.33Å; W219-I234 HydrophobicContact CD2-CG2 4.19Å; W219-I234 HydrophobicContact CG-CB 3.88Å; W219-I234 HydrophobicContact CG-CG2 3.76Å; W219-N235 HydrophobicContact CB-CB 4.25Å; W219-N235 VanDerWaalsContact O-CB 3.3Å; W219-N235 WeakPolarHBondContact O-CB 3.39Å; W219-N235 PolarHBondContact O-ND2 3.02Å
220D92Very high91.9Very high18 Ų1848.7 Ų48.710%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-106.4143.3175.5-69.3-21.2000110.7G141 H142 R144 Q240 I242G141-D220 CarbonylContact C-O 3.54Å; G141-D220 WeakPolarHBondContact CA-O 3.34Å; H142-D220 PolarHBondContact N-O 2.86Å; H142-D220 PolarHBondContact O-N 2.91Å; R144-D220 WeakPolarHBondContact CG-OD2 3.38Å; R144-D220 IonicContact CZ-OD1 3.24Å; R144-D220 VanDerWaalsContact CZ-OD1 3.24Å; R144-D220 IonicContact CZ-OD2 3.94Å; R144-D220 VanDerWaalsContact NE-CG 3.29Å; R144-D220 IonicContact NE-OD1 2.9Å; R144-D220 PolarHBondContact NE-OD1 3.11Å; R144-D220 IonicContact NE-OD2 2.94Å; R144-D220 PolarHBondContact NE-OD2 2.81Å; R144-D220 IonicContact NH2-OD1 2.9Å; R144-D220 PolarHBondContact NH2-OD1 2.77Å; D220-Q240 HydrophobicContact CB-CB 4.14Å; D220-Q240 WeakPolarHBondContact OD1-CB 3.45Å; D220-Q240 VanDerWaalsContact OD1-CG 3.29Å; D220-Q240 WeakPolarHBondContact OD1-CG 3.39Å; D220-I242 HydrophobicContact CB-CD1 4.07Å; D220-I242 HydrophobicContact CB-CG1 4.44Å; D220-I242 HydrophobicContact CB-CG2 3.61Å
221G92.5Very high91.6Very high4 Ų445.3 Ų45.34%0.04122%0.217CC..EExtended strand (participates in β ladder)trans73-156.1-177.200000114.4W219 Q240W219-G221 VanDerWaalsContact CD1-O 3.29Å; W219-G221 PolarHBondContact NE1-O 2.95Å; G221-Q240 WeakPolarHBondContact CA-O 3.35Å; G221-Q240 PolarHBondContact N-O 3.28Å
222K92.6Very high91.4Very high43 Ų4344.4 Ų44.419%0.18721%0.213CC..  trans-110.5151.6179.3-69.6-172.1176.4148.70111.7L140 G141 E233 E253L140-K222 CarbonylContact C-O 3.56Å; L140-K222 VanDerWaalsContact C-O 3.31Å; L140-K222 HydrophobicContact CD1-CB 4.41Å; L140-K222 HydrophobicContact CG-CB 4.22Å; L140-K222 WeakPolarHBondContact CG-O 3.46Å; L140-K222 PolarHBondContact O-N 3.31Å; G141-K222 VanDerWaalsContact CA-O 3.29Å; G141-K222 WeakPolarHBondContact CA-O 3Å; G141-K222 PolarHBondContact N-O 2.95Å; K222-E233 WeakPolarHBondContact CE-OE2 3.36Å; K222-E253 HydrophobicContact CD-CB 3.97Å; K222-E253 VanDerWaalsContact CE-CD 3.44Å; K222-E253 WeakPolarHBondContact CE-OE2 3.49Å; K222-E253 HydrophobicContact CG-CB 4.39Å; K222-E253 IonicContact NZ-OE2 2.78Å; K222-E253 PolarHBondContact NZ-OE2 2.63Å
223M94.4Very high91.4Very high4 Ų439.3 Ų39.32%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-86.7124.7173.7-178.2-176.575.900109.9T178 I205 A206 W219 V225 S231 V232 I234T178-M223 HydrophobicContact CG2-CE 3.73Å; T178-M223 HydrophobicContact CG2-CG 4.18Å; T178-M223 HydrophobicContact CG2-SD 3.59Å; T178-M223 VanDerWaalsContact CG2-SD 3.59Å; I205-M223 HydrophobicContact CB-SD 3.48Å; I205-M223 WeakPolarHBondContact CB-SD 3.5Å; I205-M223 HydrophobicContact CD1-CG 4.26Å; I205-M223 HydrophobicContact CD1-SD 4.07Å; I205-M223 HydrophobicContact CG1-SD 4.41Å; I205-M223 HydrophobicContact CG2-CB 4.34Å; I205-M223 HydrophobicContact CG2-CG 4.16Å; I205-M223 HydrophobicContact CG2-SD 3.41Å; I205-M223 WeakPolarHBondContact CG2-SD 3.11Å; A206-M223 HydrophobicContact CB-CE 4.38Å; W219-M223 HydrophobicContact CH2-CB 4.46Å; W219-M223 HydrophobicContact CZ2-CB 3.81Å; W219-M223 HydrophobicContact CZ2-CG 4.36Å; M223-V225 HydrophobicContact CE-CG1 3.77Å; M223-S231 CarbonylContact O-C 3.55Å; M223-S231 WeakPolarHBondContact O-CA 3.24Å; M223-V232 HydrophobicContact CB-CG2 4.23Å; M223-V232 HydrophobicContact CE-CG2 3.59Å; M223-V232 PolarHBondContact N-O 2.98Å; M223-V232 PolarHBondContact O-N 2.75Å; M223-I234 HydrophobicContact CB-CD1 3.88Å; M223-I234 HydrophobicContact CB-CG1 3.48Å; M223-I234 VanDerWaalsContact CB-CG1 3.48Å; M223-I234 HydrophobicContact CE-CD1 3.88Å; M223-I234 HydrophobicContact CG-CG1 4.49Å; M223-I234 HydrophobicContact SD-CD1 3.95Å; M223-I234 HydrophobicContact SD-CG1 4.39Å
224Y89.8Confident91.4Very high26 Ų2635.2 Ų35.210%0.10216%0.163CC..EExtended strand (participates in β ladder)trans-63136.4171.3-174.5-90.9000111.3Y136 E137 L140 F226 I230 Y255Y136-Y224 HydrophobicContact CD2-CD1 4.41Å; Y136-Y224 HydrophobicContact CD2-CD2 4.34Å; Y136-Y224 HydrophobicContact CD2-CE1 4.41Å; Y136-Y224 HydrophobicContact CD2-CE2 4.33Å; Y136-Y224 HydrophobicContact CD2-CG 4.37Å; Y136-Y224 AromaticContact CE2-CD1 3.95Å; Y136-Y224 HydrophobicContact CE2-CD1 3.95Å; Y136-Y224 AromaticContact CE2-CE1 3.75Å; Y136-Y224 HydrophobicContact CE2-CE1 3.75Å; Y136-Y224 HydrophobicContact CE2-CE2 4.4Å; Y136-Y224 HydrophobicContact CE2-CG 4.36Å; Y136-Y224 AromaticContact CE2-CZ 3.99Å; E137-Y224 HydrophobicContact CG-CD1 3.95Å; E137-Y224 HydrophobicContact CG-CG 4.16Å; L140-Y224 HydrophobicContact CD2-CD2 4.05Å; L140-Y224 HydrophobicContact CD2-CG 4.46Å; Y224-F226 HydrophobicContact CD1-CD1 4.49Å; Y224-F226 HydrophobicContact CD1-CD2 4.33Å; Y224-F226 HydrophobicContact CD1-CE1 4.26Å; Y224-F226 HydrophobicContact CD1-CE2 4.07Å; Y224-F226 HydrophobicContact CD1-CZ 4.04Å; Y224-F226 AromaticContact CE1-CD1 3.72Å; Y224-F226 HydrophobicContact CE1-CD1 3.72Å; Y224-F226 HydrophobicContact CE1-CD2 4.27Å; Y224-F226 AromaticContact CE1-CE1 3.69Å; Y224-F226 HydrophobicContact CE1-CE1 3.69Å; Y224-F226 HydrophobicContact CE1-CE2 4.23Å; Y224-F226 HydrophobicContact CE1-CG 4.01Å; Y224-F226 AromaticContact CE1-CZ 3.95Å; Y224-F226 HydrophobicContact CE1-CZ 3.95Å; Y224-I230 CarbonylContact C-O 3.52Å; Y224-I230 WeakPolarHBondContact CA-O 3.44Å; Y224-I230 HydrophobicContact CD2-CG2 4.27Å; Y224-I230 WeakPolarHBondContact CD2-O 3.39Å; Y224-I230 HydrophobicContact CE2-CG2 3.94Å; Y224-Y255 AromaticContact CD2-CD1 3.88Å; Y224-Y255 HydrophobicContact CD2-CD1 3.88Å; Y224-Y255 HydrophobicContact CD2-CE1 4.03Å; Y224-Y255 AromaticContact CE2-CD1 3.7Å; Y224-Y255 HydrophobicContact CE2-CD1 3.7Å; Y224-Y255 AromaticContact CE2-CE1 3.75Å; Y224-Y255 HydrophobicContact CE2-CE1 3.75Å
225V90.3Very high91.4Very high8 Ų835.3 Ų35.35%0.04816%0.164CC..  trans-127.9142.9174.8-65.90000110.8M223 D227 R229 I230 V232M223-V225 HydrophobicContact CE-CG1 3.77Å; V225-D227 PolarHBondContact O-N 2.96Å; V225-R229 HydrophobicContact CG2-CB 3.87Å; V225-I230 PolarHBondContact N-O 2.76Å; V225-V232 HydrophobicContact CG1-CG1 4.06Å; V225-V232 HydrophobicContact CG1-CG2 3.77Å; V225-V232 HydrophobicContact CG2-CG1 4.01Å
226F86.5Confident91.3Very high83 Ų8335 Ų3536%0.36417%0.167SC..SBendtrans-8543.5-172.7-64-92.7000113Y136 E137 Y224Y136-F226 HydrophobicContact CE2-CE1 4.5Å; E137-F226 HydrophobicContact CG-CZ 4.5Å; E137-F226 WeakPolarHBondContact OE1-CE2 3.46Å; Y224-F226 HydrophobicContact CD1-CD1 4.49Å; Y224-F226 HydrophobicContact CD1-CD2 4.33Å; Y224-F226 HydrophobicContact CD1-CE1 4.26Å; Y224-F226 HydrophobicContact CD1-CE2 4.07Å; Y224-F226 HydrophobicContact CD1-CZ 4.04Å; Y224-F226 AromaticContact CE1-CD1 3.72Å; Y224-F226 HydrophobicContact CE1-CD1 3.72Å; Y224-F226 HydrophobicContact CE1-CD2 4.27Å; Y224-F226 AromaticContact CE1-CE1 3.69Å; Y224-F226 HydrophobicContact CE1-CE1 3.69Å; Y224-F226 HydrophobicContact CE1-CE2 4.23Å; Y224-F226 HydrophobicContact CE1-CG 4.01Å; Y224-F226 AromaticContact CE1-CZ 3.95Å; Y224-F226 HydrophobicContact CE1-CZ 3.95Å
227D88.1Confident91.1Very high18 Ų1838.7 Ų38.710%0.09619%0.19CC..SBendtrans-145.8-178.4-178.466.957.8000111.2A82 F83 V225 R229 I230A82-D227 HydrophobicContact CB-CB 4.19Å; A82-D227 WeakPolarHBondContact O-CB 3.42Å; F83-D227 HydrophobicContact CD1-CB 4.13Å; F83-D227 HydrophobicContact CD2-CB 4.34Å; F83-D227 HydrophobicContact CE1-CB 3.6Å; F83-D227 HydrophobicContact CE2-CB 3.85Å; F83-D227 HydrophobicContact CG-CB 4.47Å; F83-D227 HydrophobicContact CZ-CB 3.44Å; F83-D227 VanDerWaalsContact CZ-CB 3.44Å; V225-D227 PolarHBondContact O-N 2.96Å; D227-R229 PolarHBondContact O-N 3.47Å; D227-R229 VanDerWaalsContact O-N 3.08Å; D227-R229 WeakPolarHBondContact OD1-CB 3.3Å; D227-R229 WeakPolarHBondContact OD1-CG 3.38Å; D227-R229 IonicContact OD1-CZ 3.9Å; D227-R229 PolarHBondContact OD1-N 3.32Å; D227-R229 IonicContact OD1-NE 3.59Å; D227-R229 PolarHBondContact OD1-NE 2.79Å; D227-R229 IonicContact OD1-NH2 3.85Å; D227-R229 IonicContact OD2-CZ 2.63Å; D227-R229 IonicContact OD2-NE 3.73Å; D227-R229 PolarHBondContact OD2-NE 2.74Å; D227-R229 IonicContact OD2-NH2 3.13Å; D227-R229 PolarHBondContact OD2-NH2 3.28Å; D227-I230 PolarHBondContact O-N 2.81Å
228E86.4Confident90.7Very high100 Ų10038.5 Ų38.547%0.46719%0.19SC..THydrogen-bonded Turntrans-64.9-13.4-173.5-62-73.615000113.5A82 K84 I230A82-E228 VanDerWaalsContact O-CB 3.25Å; A82-E228 WeakPolarHBondContact O-CB 3.33Å; A82-E228 VanDerWaalsContact O-CG 3.24Å; A82-E228 WeakPolarHBondContact O-CG 3.42Å; A82-E228 PolarHBondContact O-N 3.17Å; K84-E228 VanDerWaalsContact CD-OE1 3.29Å; K84-E228 WeakPolarHBondContact CD-OE1 3.46Å; K84-E228 VanDerWaalsContact CE-OE2 3.28Å; K84-E228 WeakPolarHBondContact CE-OE2 3.21Å; K84-E228 HydrophobicContact CG-CG 4.23Å; K84-E228 WeakPolarHBondContact CG-OE1 3.48Å; K84-E228 VanDerWaalsContact NZ-CD 3.29Å; K84-E228 IonicContact NZ-OE1 2.67Å; K84-E228 PolarHBondContact NZ-OE1 3.25Å; K84-E228 VanDerWaalsContact NZ-OE1 3.15Å; K84-E228 IonicContact NZ-OE2 3.13Å; K84-E228 PolarHBondContact NZ-OE2 3.32Å; E228-I230 VanDerWaalsContact C-N 3.26Å; E228-I230 PolarHBondContact O-N 2.96Å
229R87Confident90.5Very high65 Ų6543.2 Ų43.225%0.24521%0.21CC..THydrogen-bonded Turntrans-70-26.2173.5-58.6173.3-69.1170.33.4111.7D76 A82 V225 D227 S231 V232D76-R229 IonicContact OD2-NH1 2.91Å; D76-R229 PolarHBondContact OD2-NH1 3.33Å; D76-R229 IonicContact OD2-NH2 3.29Å; A82-R229 HydrophobicContact CB-CG 4.43Å; V225-R229 HydrophobicContact CG2-CB 3.87Å; D227-R229 PolarHBondContact O-N 3.47Å; D227-R229 VanDerWaalsContact O-N 3.08Å; D227-R229 WeakPolarHBondContact OD1-CB 3.3Å; D227-R229 WeakPolarHBondContact OD1-CG 3.38Å; D227-R229 IonicContact OD1-CZ 3.9Å; D227-R229 PolarHBondContact OD1-N 3.32Å; D227-R229 IonicContact OD1-NE 3.59Å; D227-R229 PolarHBondContact OD1-NE 2.79Å; D227-R229 IonicContact OD1-NH2 3.85Å; D227-R229 IonicContact OD2-CZ 2.63Å; D227-R229 IonicContact OD2-NE 3.73Å; D227-R229 PolarHBondContact OD2-NE 2.74Å; D227-R229 IonicContact OD2-NH2 3.13Å; D227-R229 PolarHBondContact OD2-NH2 3.28Å; R229-S231 PolarHBondContact O-N 2.97Å; R229-V232 HydrophobicContact CB-CG1 4.42Å
230I82.4Confident90.1Very high52 Ų5248 Ų4827%0.26723%0.232SC..  trans62.1-45.4-175.2-52.4179.6000114.1Y224 V225 D227 E228 Y255Y224-I230 CarbonylContact C-O 3.52Å; Y224-I230 WeakPolarHBondContact CA-O 3.44Å; Y224-I230 HydrophobicContact CD2-CG2 4.27Å; Y224-I230 WeakPolarHBondContact CD2-O 3.39Å; Y224-I230 HydrophobicContact CE2-CG2 3.94Å; V225-I230 PolarHBondContact N-O 2.76Å; D227-I230 PolarHBondContact O-N 2.81Å; E228-I230 VanDerWaalsContact C-N 3.26Å; E228-I230 PolarHBondContact O-N 2.96Å; I230-Y255 WeakPolarHBondContact CD1-O 3.44Å; I230-Y255 HydrophobicContact CG2-CD1 3.83Å; I230-Y255 HydrophobicContact CG2-CG 4.31Å
231S89Confident89.9Confident25 Ų2550.4 Ų50.418%0.17525%0.247CC..EExtended strand (participates in β ladder)trans-146146.3-17868.60000111M223 R229M223-S231 CarbonylContact O-C 3.55Å; M223-S231 WeakPolarHBondContact O-CA 3.24Å; R229-S231 PolarHBondContact O-N 2.97Å
232V92.3Very high89.5Confident27 Ų2752.5 Ų52.516%0.16426%0.257CS..EExtended strand (participates in β ladder)trans-128.6152.7174.7-60.50000111.4M223 V225 R229 I234M223-V232 HydrophobicContact CB-CG2 4.23Å; M223-V232 HydrophobicContact CE-CG2 3.59Å; M223-V232 PolarHBondContact N-O 2.98Å; M223-V232 PolarHBondContact O-N 2.75Å; V225-V232 HydrophobicContact CG1-CG1 4.06Å; V225-V232 HydrophobicContact CG1-CG2 3.77Å; V225-V232 HydrophobicContact CG2-CG1 4.01Å; R229-V232 HydrophobicContact CB-CG1 4.42Å; V232-I234 HydrophobicContact CG2-CD1 4.13Å
233E93.6Very high88.7Confident74 Ų7450.7 Ų50.735%0.34625%0.251SS..  trans-74.2135.6174.6-163.478.6-175.300110.6K222 K239K222-E233 WeakPolarHBondContact CE-OE2 3.36Å; E233-K239 VanDerWaalsContact CD-NZ 3.26Å; E233-K239 VanDerWaalsContact CG-NZ 3.34Å; E233-K239 VanDerWaalsContact OE1-CD 3.25Å; E233-K239 WeakPolarHBondContact OE1-CD 3.15Å; E233-K239 VanDerWaalsContact OE1-CE 3.32Å; E233-K239 WeakPolarHBondContact OE1-CE 3.39Å; E233-K239 IonicContact OE1-NZ 2.76Å; E233-K239 PolarHBondContact OE1-NZ 3.33Å
234I94.8Very high87.6Confident11 Ų1157.4 Ų57.46%0.05628%0.28CS..  trans-115.3-52.5177.7-62.3-58.4000111.2I205 W219 M223 V232I205-I234 HydrophobicContact CG2-CB 4.44Å; I205-I234 HydrophobicContact CG2-CD1 3.96Å; I205-I234 HydrophobicContact CG2-CG1 3.78Å; I205-I234 HydrophobicContact CG2-CG2 3.87Å; W219-I234 HydrophobicContact CB-CG2 3.99Å; W219-I234 HydrophobicContact CD2-CB 4.33Å; W219-I234 HydrophobicContact CD2-CG2 4.19Å; W219-I234 HydrophobicContact CG-CB 3.88Å; W219-I234 HydrophobicContact CG-CG2 3.76Å; M223-I234 HydrophobicContact CB-CD1 3.88Å; M223-I234 HydrophobicContact CB-CG1 3.48Å; M223-I234 VanDerWaalsContact CB-CG1 3.48Å; M223-I234 HydrophobicContact CE-CD1 3.88Å; M223-I234 HydrophobicContact CG-CG1 4.49Å; M223-I234 HydrophobicContact SD-CD1 3.95Å; M223-I234 HydrophobicContact SD-CG1 4.39Å; V232-I234 HydrophobicContact CG2-CD1 4.13Å
235N94Very high86.6Confident2 Ų257 Ų571%0.01128%0.279CS..  trans-75.7125.2-175.2-167.6-24.8000111.1G216 W219 V237 D238 K239G216-N235 WeakPolarHBondContact O-CA 3.36Å; G216-N235 WeakPolarHBondContact O-CB 3.46Å; G216-N235 PolarHBondContact O-ND2 2.82Å; G216-N235 PolarHBondContact O-OD1 2.96Å; W219-N235 HydrophobicContact CB-CB 4.25Å; W219-N235 VanDerWaalsContact O-CB 3.3Å; W219-N235 WeakPolarHBondContact O-CB 3.39Å; W219-N235 PolarHBondContact O-ND2 3.02Å; N235-V237 PolarHBondContact OD1-N 3.29Å; N235-D238 PolarHBondContact ND2-O 2.91Å; N235-D238 PolarHBondContact ND2-OD1 3.4Å; N235-D238 PolarHBondContact OD1-N 3.32Å; N235-D238 PolarHBondContact OD1-OD1 3.37Å; N235-K239 HydrophobicContact CB-CG 4.46Å; N235-K239 WeakPolarHBondContact O-CE 2.95Å; N235-K239 VanDerWaalsContact O-CG 3.24Å; N235-K239 WeakPolarHBondContact O-CG 3.38Å
236Q92.9Very high85.2Confident108 Ų10862.4 Ų62.451%0.50530%0.298SS..SBendtrans-112.43.2176.8-54.1178.530.200113.2G209 R215G209-Q236 PolarHBondContact O-NE2 2.88Å; R215-Q236 HydrophobicContact CB-CB 4.44Å; R215-Q236 PolarHBondContact O-N 2.9Å
237V90.6Very high83.6Confident78 Ų7863.1 Ų63.147%0.47330%0.301SS..SBendtrans-109.4-59.9-173.2-1760000110.5R215 E217 N235R215-V237 HydrophobicContact CB-CG2 3.68Å; E217-V237 HydrophobicContact CB-CB 4.44Å; E217-V237 HydrophobicContact CB-CG2 4.37Å; E217-V237 HydrophobicContact CG-CG1 4.49Å; N235-V237 PolarHBondContact OD1-N 3.29Å
238D86.7Confident82.9Confident43 Ų4367 Ų6723%0.2332%0.322CS..SBendtrans-138.754.6-16870.2-37.7000112.4R144 N235 Q240R144-D238 IonicContact CZ-OD2 3.16Å; R144-D238 IonicContact NH1-OD2 2.7Å; R144-D238 PolarHBondContact NH1-OD2 2.8Å; R144-D238 PolarHBondContact NH2-O 3.07Å; R144-D238 IonicContact NH2-OD2 3.2Å; R144-D238 PolarHBondContact NH2-OD2 2.8Å; N235-D238 PolarHBondContact ND2-O 2.91Å; N235-D238 PolarHBondContact ND2-OD1 3.4Å; N235-D238 PolarHBondContact OD1-N 3.32Å; N235-D238 PolarHBondContact OD1-OD1 3.37Å; D238-Q240 PolarHBondContact O-N 3.21Å
239K87.9Confident82.1Confident119 Ų11964.1 Ų64.152%0.51732%0.319SS..  trans-48.8125.6-178.1-61.7172.2179.7-124.20112.8E233 N235E233-K239 VanDerWaalsContact CD-NZ 3.26Å; E233-K239 VanDerWaalsContact CG-NZ 3.34Å; E233-K239 VanDerWaalsContact OE1-CD 3.25Å; E233-K239 WeakPolarHBondContact OE1-CD 3.15Å; E233-K239 VanDerWaalsContact OE1-CE 3.32Å; E233-K239 WeakPolarHBondContact OE1-CE 3.39Å; E233-K239 IonicContact OE1-NZ 2.76Å; E233-K239 PolarHBondContact OE1-NZ 3.33Å; N235-K239 HydrophobicContact CB-CG 4.46Å; N235-K239 WeakPolarHBondContact O-CE 2.95Å; N235-K239 VanDerWaalsContact O-CG 3.24Å; N235-K239 WeakPolarHBondContact O-CG 3.38Å
240Q88.1Confident81.8Confident101 Ų10163.3 Ų63.347%0.47232%0.322SS..  trans-120137.2171.1-61.6-63.5-30.100110R144 D220 G221 D238 I242R144-Q240 VanDerWaalsContact NH2-CG 3.32Å; D220-Q240 HydrophobicContact CB-CB 4.14Å; D220-Q240 WeakPolarHBondContact OD1-CB 3.45Å; D220-Q240 VanDerWaalsContact OD1-CG 3.29Å; D220-Q240 WeakPolarHBondContact OD1-CG 3.39Å; G221-Q240 WeakPolarHBondContact CA-O 3.35Å; G221-Q240 PolarHBondContact N-O 3.28Å; D238-Q240 PolarHBondContact O-N 3.21Å; Q240-I242 HydrophobicContact CB-CG2 4.47Å
241V87.3Confident81.9Confident67 Ų6765.7 Ų65.741%0.40634%0.341SS..  trans-92.5108.9170179.10000108P251 E253V241-P251 HydrophobicContact CB-CB 4.27Å; V241-P251 HydrophobicContact CG1-CB 3.7Å; V241-E253 HydrophobicContact CB-CG 4.3Å; V241-E253 HydrophobicContact CG1-CG 3.62Å; V241-E253 HydrophobicContact CG2-CG 3.94Å
242I85.7Confident81.4Confident49 Ų4965.4 Ų65.425%0.25134%0.338SS..  trans-102.5-23.3177.761170.4000113.3H142 D220 Q240H142-I242 WeakPolarHBondContact CE1-CD1 3.29Å; H142-I242 VanDerWaalsContact ND1-CD1 3.34Å; H142-I242 WeakPolarHBondContact ND1-CD1 3.4Å; D220-I242 HydrophobicContact CB-CD1 4.07Å; D220-I242 HydrophobicContact CB-CG1 4.44Å; D220-I242 HydrophobicContact CB-CG2 3.61Å; Q240-I242 HydrophobicContact CB-CG2 4.47Å
243G75.4Confident80.7Confident5 Ų566.2 Ų66.25%0.05234%0.34CS..  trans-62.8143.6174.900000110P251 C252G243-P251 CarbonylContact O-C 3.44Å; G243-P251 WeakPolarHBondContact O-CA 3.39Å; G243-C252 CarbonylContact C-O 3.58Å; G243-C252 WeakPolarHBondContact CA-O 3.02Å; G243-C252 PolarHBondContact O-N 2.92Å; G243-C252 VanDerWaalsContact O-O 3.13Å
244K71.5Confident79.7Confident145 Ų14567.3 Ų67.363%0.6334%0.341SS*.BIsolated β-bridgetrans-120.8139.2176.5-65179.2-174.81740108.8T250K244-T250 CarbonylContact C-O 3.54Å; K244-T250 WeakPolarHBondContact CA-O 2.91Å
245E68.6Low78.5Confident16 Ų1667.8 Ų67.88%0.07534%0.343CS..  trans-61.3135.7168-152.3-59.3119.600107.9F247 D248 G249 T250 C252E245-F247 PolarHBondContact O-N 2.67Å; E245-F247 WeakPolarHBondContact OE1-CD2 3.26Å; E245-F247 WeakPolarHBondContact OE2-CA 3.48Å; E245-F247 VanDerWaalsContact OE2-CB 3.23Å; E245-F247 WeakPolarHBondContact OE2-CB 3.26Å; E245-F247 WeakPolarHBondContact OE2-CD2 3.25Å; E245-F247 PolarHBondContact OE2-N 3.49Å; E245-D248 WeakPolarHBondContact CB-OD1 3.18Å; E245-D248 PolarHBondContact OE2-N 3.3Å; E245-G249 WeakPolarHBondContact O-CA 3.16Å; E245-G249 PolarHBondContact O-N 3.35Å; E245-T250 WeakPolarHBondContact CB-O 3.42Å; E245-T250 PolarHBondContact N-O 2.9Å; E245-C252 HydrophobicContact CB-CB 3.9Å; E245-C252 HydrophobicContact CG-CB 4.42Å
246W59.6Low77Confident122 Ų12270 Ų7046%0.46235%0.354SS..THydrogen-bonded Turntrans-70.4-34.9-167-176.2-76.6000112.4H473W246-H473 AromaticContact CD1-CE1 3.93Å; W246-H473 AromaticContact CD1-NE2 3.94Å; W246-H473 AromaticContact NE1-CE1 3.16Å; W246-H473 PolarHBondContact NE1-CE1 3.49Å; W246-H473 AromaticContact NE1-NE2 3.21Å; W246-H473 PolarHBondContact NE1-NE2 3.11Å
247F53.4Low75.2Confident98 Ų9868.1 Ų68.143%0.4335%0.347SS..THydrogen-bonded Turntrans-83.9-39.9-174.7-60.7-82.8000113.6E245 Q477 R485E245-F247 PolarHBondContact O-N 2.67Å; E245-F247 WeakPolarHBondContact OE1-CD2 3.26Å; E245-F247 WeakPolarHBondContact OE2-CA 3.48Å; E245-F247 VanDerWaalsContact OE2-CB 3.23Å; E245-F247 WeakPolarHBondContact OE2-CB 3.26Å; E245-F247 WeakPolarHBondContact OE2-CD2 3.25Å; E245-F247 PolarHBondContact OE2-N 3.49Å; F247-Q477 VanDerWaalsContact CE1-NE2 3.27Å; F247-R485 HydrophobicContact CE2-CG 4.45Å; F247-R485 VanDerWaalsContact CZ-CZ 3.45Å; F247-R485 VanDerWaalsContact CZ-NE 3.35Å
248D72.8Confident73.2Confident99 Ų9966 Ų6653%0.52934%0.335SS..THydrogen-bonded Turntrans-115.6-3.5-17370.315.6000114E245 T250E245-D248 WeakPolarHBondContact CB-OD1 3.18Å; E245-D248 PolarHBondContact OE2-N 3.3Å; D248-T250 HydrophobicContact CB-CG2 4.37Å; D248-T250 VanDerWaalsContact CG-CG2 3.49Å; D248-T250 PolarHBondContact O-N 3Å; D248-T250 WeakPolarHBondContact OD1-CB 3.25Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.49Å; D248-T250 PolarHBondContact OD1-N 2.77Å; D248-T250 PolarHBondContact OD1-OG1 3.15Å; D248-T250 PolarHBondContact OD2-OG1 3.29Å
249G71.3Confident71.2Confident40 Ų4065.7 Ų65.741%0.41234%0.337SS..  trans69.74.9-179.900000114.3E245E245-G249 WeakPolarHBondContact O-CA 3.16Å; E245-G249 PolarHBondContact O-N 3.35Å
250T80.3Confident68.9Low48 Ų4863.2 Ų63.229%0.29433%0.329SS..  trans-68.6146.6-178.561.20000111.2K244 E245 D248 C252K244-T250 CarbonylContact C-O 3.54Å; K244-T250 WeakPolarHBondContact CA-O 2.91Å; E245-T250 WeakPolarHBondContact CB-O 3.42Å; E245-T250 PolarHBondContact N-O 2.9Å; D248-T250 HydrophobicContact CB-CG2 4.37Å; D248-T250 VanDerWaalsContact CG-CG2 3.49Å; D248-T250 PolarHBondContact O-N 3Å; D248-T250 WeakPolarHBondContact OD1-CB 3.25Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.49Å; D248-T250 PolarHBondContact OD1-N 2.77Å; D248-T250 PolarHBondContact OD1-OG1 3.15Å; D248-T250 PolarHBondContact OD2-OG1 3.29Å; T250-C252 PolarHBondContact O-N 3.28Å
251P83.6Confident66.7Low102 Ų10263.1 Ų63.166%0.66234%0.337SS*.BIsolated β-bridgetrans-55.2125.5178.2-27.135.1000112.3V241 G243V241-P251 HydrophobicContact CB-CB 4.27Å; V241-P251 HydrophobicContact CG1-CB 3.7Å; G243-P251 CarbonylContact O-C 3.44Å; G243-P251 WeakPolarHBondContact O-CA 3.39Å
252C79.3Confident64.7Low19 Ų1966.8 Ų66.813%0.12835%0.35CS..  trans-151.1141.1-176.2-1640000112.4G243 E245 T250 F486G243-C252 CarbonylContact C-O 3.58Å; G243-C252 WeakPolarHBondContact CA-O 3.02Å; G243-C252 PolarHBondContact O-N 2.92Å; G243-C252 VanDerWaalsContact O-O 3.13Å; E245-C252 HydrophobicContact CB-CB 3.9Å; E245-C252 HydrophobicContact CG-CB 4.42Å; T250-C252 PolarHBondContact O-N 3.28Å; C252-F486 HydrophobicContact CB-CB 4.11Å; C252-F486 HydrophobicContact CB-CD1 4.07Å; C252-F486 HydrophobicContact CB-CG 4.35Å; C252-F486 WeakPolarHBondContact O-CD1 3.08Å; C252-F486 WeakPolarHBondContact O-CE1 3.42Å; C252-F486 VanDerWaalsContact SG-CB 3.57Å
253E78Confident62.8Low44 Ų4469.5 Ų69.521%0.20636%0.361CS..  trans-119.7-5.4-177.8-57.4-177.6118.100114.1K222 V241 Y255 F486K222-E253 HydrophobicContact CD-CB 3.97Å; K222-E253 VanDerWaalsContact CE-CD 3.44Å; K222-E253 WeakPolarHBondContact CE-OE2 3.49Å; K222-E253 HydrophobicContact CG-CB 4.39Å; K222-E253 IonicContact NZ-OE2 2.78Å; K222-E253 PolarHBondContact NZ-OE2 2.63Å; V241-E253 HydrophobicContact CB-CG 4.3Å; V241-E253 HydrophobicContact CG1-CG 3.62Å; V241-E253 HydrophobicContact CG2-CG 3.94Å; E253-Y255 PolarHBondContact O-N 3.13Å; E253-F486 VanDerWaalsContact C-CD1 3.43Å
254R71.9Confident61.6Low97 Ų9774.2 Ų74.237%0.36638%0.383SS..  trans-74.5100.5175.2177.1166.760.8155.5125.4112.3I256 F486 R487 K488R254-I256 HydrophobicContact CG-CD1 4.11Å; R254-I256 HydrophobicContact CG-CG1 3.85Å; R254-I256 VanDerWaalsContact NH2-CD1 3.27Å; R254-F486 VanDerWaalsContact C-CE1 3.43Å; R254-F486 HydrophobicContact CB-CD1 4.49Å; R254-F486 WeakPolarHBondContact O-CA 3.28Å; R254-F486 WeakPolarHBondContact O-CB 3.49Å; R254-F486 WeakPolarHBondContact O-CD1 3.25Å; R254-F486 WeakPolarHBondContact O-CG 3.32Å; R254-R487 VanDerWaalsContact NE-C 3.34Å; R254-R487 PolarHBondContact NE-O 2.95Å; R254-R487 PolarHBondContact NH1-O 3.04Å; R254-R487 VanDerWaalsContact NH2-CB 3.34Å; R254-K488 PolarHBondContact NH1-O 3.01Å
255Y69.9Low60.9Low21 Ų2169 Ų698%0.08237%0.371CS..  trans-84.1137.3171.4-157.6-113.1000112Y136 L140 Y224 I230 E253 Y484 F486Y136-Y255 WeakPolarHBondContact CB-OH 3.33Å; L140-Y255 HydrophobicContact CD1-CD2 4.38Å; L140-Y255 HydrophobicContact CD1-CG 4.47Å; L140-Y255 HydrophobicContact CD2-CG 4.34Å; Y224-Y255 AromaticContact CD2-CD1 3.88Å; Y224-Y255 HydrophobicContact CD2-CD1 3.88Å; Y224-Y255 HydrophobicContact CD2-CE1 4.03Å; Y224-Y255 AromaticContact CE2-CD1 3.7Å; Y224-Y255 HydrophobicContact CE2-CD1 3.7Å; Y224-Y255 AromaticContact CE2-CE1 3.75Å; Y224-Y255 HydrophobicContact CE2-CE1 3.75Å; I230-Y255 WeakPolarHBondContact CD1-O 3.44Å; I230-Y255 HydrophobicContact CG2-CD1 3.83Å; I230-Y255 HydrophobicContact CG2-CG 4.31Å; E253-Y255 PolarHBondContact O-N 3.13Å; Y255-Y484 AromaticContact CD1-CD1 3.76Å; Y255-Y484 HydrophobicContact CD1-CD1 3.76Å; Y255-Y484 HydrophobicContact CD1-CE1 4.47Å; Y255-Y484 HydrophobicContact CD1-CG 4.16Å; Y255-Y484 VanDerWaalsContact CE1-CB 3.44Å; Y255-Y484 AromaticContact CE1-CD1 3.09Å; Y255-Y484 HydrophobicContact CE1-CD1 3.09Å; Y255-Y484 AromaticContact CE1-CD2 3.91Å; Y255-Y484 HydrophobicContact CE1-CD2 3.91Å; Y255-Y484 AromaticContact CE1-CE1 3.72Å; Y255-Y484 HydrophobicContact CE1-CE1 3.72Å; Y255-Y484 HydrophobicContact CE1-CE2 4.41Å; Y255-Y484 AromaticContact CE1-CG 3.23Å; Y255-Y484 HydrophobicContact CE1-CG 3.23Å; Y255-Y484 HydrophobicContact CE2-CG 4.24Å; Y255-Y484 AromaticContact CZ-CD1 3.71Å; Y255-Y484 AromaticContact CZ-CD2 3.71Å; Y255-Y484 AromaticContact CZ-CG 3.26Å; Y255-Y484 WeakPolarHBondContact OH-CB 3.26Å; Y255-Y484 WeakPolarHBondContact OH-CD2 3.39Å; Y255-F486 HydrophobicContact CD2-CD2 4.21Å; Y255-F486 HydrophobicContact CD2-CE1 4.24Å; Y255-F486 AromaticContact CD2-CE2 3.44Å; Y255-F486 HydrophobicContact CD2-CE2 3.44Å; Y255-F486 VanDerWaalsContact CD2-CE2 3.44Å; Y255-F486 AromaticContact CD2-CZ 3.45Å; Y255-F486 HydrophobicContact CD2-CZ 3.45Å; Y255-F486 VanDerWaalsContact CD2-CZ 3.45Å; Y255-F486 AromaticContact CE2-CE2 3.96Å; Y255-F486 HydrophobicContact CE2-CE2 3.96Å; Y255-F486 HydrophobicContact CE2-CZ 4.26Å; Y255-F486 HydrophobicContact CG-CZ 4.34Å
256I62.6Low60.6Low50 Ų5072.8 Ų72.826%0.25639%0.391SS..EExtended strand (participates in β ladder)trans-139.2133.5179.7-48.6171.1000108.5R254 C258 Y484 R485 R487R254-I256 HydrophobicContact CG-CD1 4.11Å; R254-I256 HydrophobicContact CG-CG1 3.85Å; R254-I256 VanDerWaalsContact NH2-CD1 3.27Å; I256-C258 PolarHBondContact O-N 2.91Å; I256-Y484 CarbonylContact O-C 3.53Å; I256-Y484 WeakPolarHBondContact O-CA 3.44Å; I256-Y484 WeakPolarHBondContact O-CB 3.38Å; I256-R485 VanDerWaalsContact CA-O 3.29Å; I256-R485 WeakPolarHBondContact CA-O 3.26Å; I256-R485 WeakPolarHBondContact CB-O 3.38Å; I256-R485 VanDerWaalsContact CG1-O 3.28Å; I256-R485 WeakPolarHBondContact CG1-O 3.4Å; I256-R485 PolarHBondContact N-O 3Å; I256-R485 PolarHBondContact O-N 2.67Å; I256-R487 HydrophobicContact CD1-CB 3.82Å
257N55.2Low60.7Low67 Ų6770.9 Ų70.936%0.35839%0.389SS..EExtended strand (participates in β ladder)trans-76.8110.6170.1-166.9-22.7000110.7S259 Y484N257-S259 PolarHBondContact O-N 3.18Å; N257-S259 WeakPolarHBondContact OD1-CB 2.93Å; N257-S259 PolarHBondContact OD1-N 2.81Å; N257-S259 PolarHBondContact OD1-OG 2.98Å; N257-Y484 HydrophobicContact CB-CD1 3.45Å; N257-Y484 VanDerWaalsContact CB-CD1 3.45Å; N257-Y484 HydrophobicContact CB-CE1 3.55Å; N257-Y484 HydrophobicContact CB-CG 4.41Å; N257-Y484 VanDerWaalsContact CG-CE1 3.5Å; N257-Y484 WeakPolarHBondContact ND2-CE1 3.29Å
258C48.9Very low61Low33 Ų3368.1 Ų68.122%0.22338%0.378CS..SBendtrans-76.2-4.2178.9-54.40000114.3I256 N260 G483 R485I256-C258 PolarHBondContact O-N 2.91Å; C258-N260 PolarHBondContact O-N 3.34Å; C258-G483 WeakPolarHBondContact CB-O 3.08Å; C258-G483 PolarHBondContact SG-O 2.91Å; C258-R485 WeakPolarHBondContact SG-CB 3.49Å; C258-R485 WeakPolarHBondContact SG-CD 3.37Å; C258-R485 WeakPolarHBondContact SG-CG 3.47Å; C258-R485 PolarHBondContact SG-N 3.19Å
259S43.6Very low60.7Low38 Ų3865.6 Ų65.627%0.26637%0.371SS..  trans-73.920.5175.4-38.10000112.2N257 P261N257-S259 PolarHBondContact O-N 3.18Å; N257-S259 WeakPolarHBondContact OD1-CB 2.93Å; N257-S259 PolarHBondContact OD1-N 2.81Å; N257-S259 PolarHBondContact OD1-OG 2.98Å; S259-P261 VanDerWaalsContact O-CD 3.25Å; S259-P261 WeakPolarHBondContact O-CD 3.15Å
260N40.9Very low60.8Low66 Ų6667.6 Ų67.635%0.35337%0.371SS..  trans-72.4116.8-178.7-171-4.4000108.8C258 E262 F263C258-N260 PolarHBondContact O-N 3.34Å; N260-E262 PolarHBondContact ND2-OE2 3.5Å; N260-E262 PolarHBondContact O-N 2.84Å; N260-E262 WeakPolarHBondContact OD1-CG 3.06Å; N260-E262 PolarHBondContact OD1-N 2.82Å; N260-F263 PolarHBondContact O-N 3.29Å
261P42Very low60.2Low99 Ų9966.7 Ų66.764%0.64337%0.368SS*.Hα-helixtrans-55.5-17.4176.420.9-32.5000113.1S259 F263 G265S259-P261 VanDerWaalsContact O-CD 3.25Å; S259-P261 WeakPolarHBondContact O-CD 3.15Å; P261-F263 VanDerWaalsContact C-N 3.34Å; P261-F263 PolarHBondContact O-N 2.98Å; P261-G265 VanDerWaalsContact O-CA 3.32Å; P261-G265 WeakPolarHBondContact O-CA 3.44Å; P261-G265 PolarHBondContact O-N 3.05Å
262E44Very low59.4Low144 Ų14464.2 Ų64.267%0.67335%0.348SS*.Hα-helixtrans-63.3-35.1172.7-66.3173.1173.900113.3N260 L266N260-E262 PolarHBondContact ND2-OE2 3.5Å; N260-E262 PolarHBondContact O-N 2.84Å; N260-E262 WeakPolarHBondContact OD1-CG 3.06Å; N260-E262 PolarHBondContact OD1-N 2.82Å; E262-L266 WeakPolarHBondContact O-CB 3.17Å; E262-L266 PolarHBondContact O-N 3.21Å
263F46.3Very low59Low107 Ų10768.7 Ų68.747%0.46937%0.368SS..Hα-helixtrans-77.8-45.4-179.7-175.3-102.2000111.7N260 P261 G265 L266 I267N260-F263 PolarHBondContact O-N 3.29Å; P261-F263 VanDerWaalsContact C-N 3.34Å; P261-F263 PolarHBondContact O-N 2.98Å; F263-G265 VanDerWaalsContact C-N 3.27Å; F263-G265 PolarHBondContact O-N 2.95Å; F263-L266 WeakPolarHBondContact O-CB 3.32Å; F263-L266 PolarHBondContact O-N 2.79Å; F263-L266 VanDerWaalsContact O-N 3.15Å; F263-I267 HydrophobicContact CD1-CD1 4.09Å; F263-I267 HydrophobicContact CE1-CD1 3.54Å; F263-I267 HydrophobicContact CE1-CG1 4.34Å; F263-I267 HydrophobicContact CZ-CD1 4.01Å; F263-I267 HydrophobicContact CZ-CG1 4.49Å; F263-I267 PolarHBondContact O-N 2.88Å
264I50.2Low58.9Low104 Ų10471.6 Ų71.653%0.53338%0.384SS..Hα-helixtrans-61.2-42.1171.9-65.8173000109.6L266 I267 H268I264-L266 VanDerWaalsContact C-N 3.29Å; I264-L266 PolarHBondContact O-N 3.18Å; I264-I267 PolarHBondContact O-N 2.75Å; I264-H268 WeakPolarHBondContact O-CB 3.29Å; I264-H268 PolarHBondContact O-N 3.48Å
265G55.7Low58.7Low36 Ų3669.3 Ų69.337%0.37138%0.381SS..Hα-helixtrans-62.3-32.8174.700000113.2P261 F263 A269P261-G265 VanDerWaalsContact O-CA 3.32Å; P261-G265 WeakPolarHBondContact O-CA 3.44Å; P261-G265 PolarHBondContact O-N 3.05Å; F263-G265 VanDerWaalsContact C-N 3.27Å; F263-G265 PolarHBondContact O-N 2.95Å; G265-A269 WeakPolarHBondContact O-CB 3.25Å; G265-A269 PolarHBondContact O-N 3.38Å
266L63.8Low58.5Low94 Ų9471.2 Ų71.249%0.49239%0.394SS..Hα-helixtrans-69.5-44.8173-177.766.1000111.7E262 F263 I264 H268 A269 I270E262-L266 WeakPolarHBondContact O-CB 3.17Å; E262-L266 PolarHBondContact O-N 3.21Å; F263-L266 WeakPolarHBondContact O-CB 3.32Å; F263-L266 PolarHBondContact O-N 2.79Å; F263-L266 VanDerWaalsContact O-N 3.15Å; I264-L266 VanDerWaalsContact C-N 3.29Å; I264-L266 PolarHBondContact O-N 3.18Å; L266-H268 VanDerWaalsContact C-N 3.34Å; L266-A269 PolarHBondContact O-N 3.13Å; L266-I270 HydrophobicContact CD1-CD1 4.23Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 3.97Å; L266-I270 WeakPolarHBondContact O-CB 3.36Å; L266-I270 VanDerWaalsContact O-CG1 3.24Å; L266-I270 WeakPolarHBondContact O-CG1 3.31Å; L266-I270 PolarHBondContact O-N 2.82Å
267I61.1Low58.9Low83 Ų8370.5 Ų70.543%0.42639%0.394SS..Hα-helixtrans-60.6-47.5175.6-67.9175.1000110F263 I264 A269 I270 A271F263-I267 HydrophobicContact CD1-CD1 4.09Å; F263-I267 HydrophobicContact CE1-CD1 3.54Å; F263-I267 HydrophobicContact CE1-CG1 4.34Å; F263-I267 HydrophobicContact CZ-CD1 4.01Å; F263-I267 HydrophobicContact CZ-CG1 4.49Å; F263-I267 PolarHBondContact O-N 2.88Å; I264-I267 PolarHBondContact O-N 2.75Å; I267-A269 PolarHBondContact O-N 3.14Å; I267-I270 PolarHBondContact O-N 2.74Å; I267-A271 PolarHBondContact O-N 3.05Å
268H60.4Low59.6Low40 Ų4069.1 Ų69.119%0.18539%0.392CS..Hα-helixtrans-54.5-53.2174.9-171.7102000111.1I264 L266 I270 A271 E272 H309 D313I264-H268 WeakPolarHBondContact O-CB 3.29Å; I264-H268 PolarHBondContact O-N 3.48Å; L266-H268 VanDerWaalsContact C-N 3.34Å; H268-I270 VanDerWaalsContact C-N 3.31Å; H268-I270 PolarHBondContact O-N 2.95Å; H268-A271 PolarHBondContact O-N 3.31Å; H268-A271 VanDerWaalsContact O-N 3.17Å; H268-E272 IonicContact CD2-OE1 3.89Å; H268-E272 PolarHBondContact CD2-OE1 2.96Å; H268-E272 IonicContact CD2-OE2 2.71Å; H268-E272 PolarHBondContact CD2-OE2 2.96Å; H268-E272 IonicContact NE2-OE1 3.3Å; H268-E272 PolarHBondContact NE2-OE1 3Å; H268-E272 IonicContact NE2-OE2 2.99Å; H268-E272 WeakPolarHBondContact O-CG 3.48Å; H268-E272 PolarHBondContact O-N 3.25Å; H268-H309 AromaticContact CE1-CE1 3.43Å; H268-H309 PolarHBondContact CE1-CE1 2.98Å; H268-H309 VanDerWaalsContact CE1-CE1 3.43Å; H268-H309 AromaticContact CE1-ND1 3.77Å; H268-H309 AromaticContact CE1-NE2 3.87Å; H268-H309 AromaticContact NE2-CE1 3.06Å; H268-H309 PolarHBondContact NE2-CE1 2.89Å; H268-H309 AromaticContact NE2-CG 3.98Å; H268-H309 AromaticContact NE2-ND1 3.15Å; H268-H309 PolarHBondContact NE2-ND1 2.99Å; H268-H309 VanDerWaalsContact NE2-ND1 3.15Å; H268-H309 AromaticContact NE2-NE2 3.92Å; H268-D313 IonicContact CE1-OD1 3.89Å; H268-D313 PolarHBondContact CE1-OD1 3.27Å; H268-D313 IonicContact CE1-OD2 3.83Å; H268-D313 IonicContact ND1-OD1 4Å; H268-D313 PolarHBondContact ND1-OD1 3.39Å
269A65.6Low60.4Low46 Ų4671.8 Ų71.838%0.3840%0.4SS..Hα-helixtrans-61.4-36.8179.700000112.7G265 L266 I267 M273G265-A269 WeakPolarHBondContact O-CB 3.25Å; G265-A269 PolarHBondContact O-N 3.38Å; L266-A269 PolarHBondContact O-N 3.13Å; I267-A269 PolarHBondContact O-N 3.14Å; A269-M273 WeakPolarHBondContact O-CB 3.32Å; A269-M273 PolarHBondContact O-N 3.17Å
270I72.9Confident61.3Low82 Ų8275.6 Ų75.642%0.42141%0.409SS..Hα-helixtrans-66.2-46.4175.2-70.9166.3000110.4L266 I267 H268 M273 I274L266-I270 HydrophobicContact CD1-CD1 4.23Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 3.97Å; L266-I270 WeakPolarHBondContact O-CB 3.36Å; L266-I270 VanDerWaalsContact O-CG1 3.24Å; L266-I270 WeakPolarHBondContact O-CG1 3.31Å; L266-I270 PolarHBondContact O-N 2.82Å; I267-I270 PolarHBondContact O-N 2.74Å; H268-I270 VanDerWaalsContact C-N 3.31Å; H268-I270 PolarHBondContact O-N 2.95Å; I270-M273 PolarHBondContact O-N 3.3Å; I270-I274 HydrophobicContact CG2-CD1 3.86Å; I270-I274 HydrophobicContact CG2-CG1 4.48Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.18Å; I270-I274 PolarHBondContact O-N 2.81Å
271A68.1Low62.6Low28 Ų2880.6 Ų80.623%0.23143%0.428CS..Hα-helixtrans-61.3-46.9178.900000111.5I267 H268 M273 I274 V275 V312I267-A271 PolarHBondContact O-N 3.05Å; H268-A271 PolarHBondContact O-N 3.31Å; H268-A271 VanDerWaalsContact O-N 3.17Å; A271-M273 VanDerWaalsContact C-N 3.35Å; A271-M273 PolarHBondContact O-N 3.28Å; A271-I274 PolarHBondContact O-N 3.5Å; A271-V275 WeakPolarHBondContact O-CG2 3.47Å; A271-V275 PolarHBondContact O-N 2.57Å; A271-V312 HydrophobicContact CB-CG1 4.21Å
272E66.6Low63.7Low51 Ų5182.4 Ų82.424%0.23843%0.43CS..Hα-helixtrans-58.4-46.1172.9-72.2-175.6142.800112.2H268 I274 V275 V276 H309H268-E272 IonicContact CD2-OE1 3.89Å; H268-E272 PolarHBondContact CD2-OE1 2.96Å; H268-E272 IonicContact CD2-OE2 2.71Å; H268-E272 PolarHBondContact CD2-OE2 2.96Å; H268-E272 IonicContact NE2-OE1 3.3Å; H268-E272 PolarHBondContact NE2-OE1 3Å; H268-E272 IonicContact NE2-OE2 2.99Å; H268-E272 WeakPolarHBondContact O-CG 3.48Å; H268-E272 PolarHBondContact O-N 3.25Å; E272-I274 VanDerWaalsContact C-N 3.29Å; E272-I274 PolarHBondContact O-N 3.37Å; E272-V275 PolarHBondContact O-N 3.25Å; E272-V276 WeakPolarHBondContact O-CB 3.31Å; E272-V276 VanDerWaalsContact O-CG2 3.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.18Å; E272-V276 PolarHBondContact O-N 2.79Å; E272-H309 IonicContact OE1-CE1 3.11Å; E272-H309 IonicContact OE1-CG 2.79Å; E272-H309 IonicContact OE1-ND1 3.25Å; E272-H309 PolarHBondContact OE1-ND1 3.43Å
273M71.6Confident64.4Low112 Ų11278.5 Ų78.555%0.55243%0.428SS*.Hα-helixtrans-64-36.3-178.7-165.6-87.1-66.700111.1A269 I270 A271 S277A269-M273 WeakPolarHBondContact O-CB 3.32Å; A269-M273 PolarHBondContact O-N 3.17Å; I270-M273 PolarHBondContact O-N 3.3Å; A271-M273 VanDerWaalsContact C-N 3.35Å; A271-M273 PolarHBondContact O-N 3.28Å; M273-S277 WeakPolarHBondContact O-CA 3.23Å; M273-S277 WeakPolarHBondContact O-CB 3.29Å; M273-S277 PolarHBondContact O-N 2.89Å; M273-S277 PolarHBondContact O-OG 2.98Å; M273-S277 PolarHBondContact SD-OG 2.78Å
274I74.5Confident65Low105 Ų10579 Ų7954%0.53844%0.435SS..Hα-helixtrans-63.5-49.1172.7-69.9166.2000111I270 A271 E272 S277 A278I270-I274 HydrophobicContact CG2-CD1 3.86Å; I270-I274 HydrophobicContact CG2-CG1 4.48Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.18Å; I270-I274 PolarHBondContact O-N 2.81Å; A271-I274 PolarHBondContact O-N 3.5Å; E272-I274 VanDerWaalsContact C-N 3.29Å; E272-I274 PolarHBondContact O-N 3.37Å; I274-S277 PolarHBondContact O-N 2.72Å; I274-A278 PolarHBondContact O-N 3.21Å
275V69.2Low65.4Low50 Ų5075.8 Ų75.830%0.30342%0.418SS..Hα-helixtrans-66.6-44.9-178-1790000111.4A271 E272 S277 A278 F279 V308 V312A271-V275 WeakPolarHBondContact O-CG2 3.47Å; A271-V275 PolarHBondContact O-N 2.57Å; E272-V275 PolarHBondContact O-N 3.25Å; V275-S277 VanDerWaalsContact C-N 3.35Å; V275-A278 PolarHBondContact O-N 2.95Å; V275-F279 HydrophobicContact CG1-CD2 4.45Å; V275-F279 PolarHBondContact O-N 3.35Å; V275-F279 VanDerWaalsContact O-N 3.15Å; V275-V308 HydrophobicContact CB-CG1 3.73Å; V275-V308 HydrophobicContact CG1-CB 4.33Å; V275-V308 HydrophobicContact CG1-CG1 3.35Å; V275-V308 HydrophobicContact CG1-CG2 3.98Å; V275-V308 HydrophobicContact CG2-CG1 4.48Å; V275-V312 HydrophobicContact CG2-CG2 4.14Å
276V65.7Low65.7Low60 Ų6077.8 Ų77.836%0.36443%0.425SS..Hα-helixtrans-65.3-39.1176.9174.90000110.8E272 F279 Y280E272-V276 WeakPolarHBondContact O-CB 3.31Å; E272-V276 VanDerWaalsContact O-CG2 3.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.18Å; E272-V276 PolarHBondContact O-N 2.79Å; V276-F279 WeakPolarHBondContact O-CB 3.49Å; V276-F279 PolarHBondContact O-N 2.86Å; V276-Y280 PolarHBondContact O-N 2.77Å
277S69.8Low65.6Low35 Ų3580.4 Ų80.425%0.24544%0.439CS..Hα-helixtrans-63.6-41175-67.10000111.7M273 I274 V275 F279 Y280 F281M273-S277 WeakPolarHBondContact O-CA 3.23Å; M273-S277 WeakPolarHBondContact O-CB 3.29Å; M273-S277 PolarHBondContact O-N 2.89Å; M273-S277 PolarHBondContact O-OG 2.98Å; M273-S277 PolarHBondContact SD-OG 2.78Å; I274-S277 PolarHBondContact O-N 2.72Å; V275-S277 VanDerWaalsContact C-N 3.35Å; S277-F279 VanDerWaalsContact C-N 3.3Å; S277-F279 PolarHBondContact O-N 3.29Å; S277-Y280 PolarHBondContact O-N 3.06Å; S277-Y280 VanDerWaalsContact O-N 3.1Å; S277-F281 WeakPolarHBondContact O-CB 3.21Å; S277-F281 WeakPolarHBondContact O-CD2 3.3Å; S277-F281 PolarHBondContact O-N 3.44Å
278A70.1Confident65.6Low39 Ų3980.2 Ų80.232%0.32244%0.442SS..Hα-helixtrans-59.6-41.6174.700000111.4I274 V275 Y280 M282I274-A278 PolarHBondContact O-N 3.21Å; V275-A278 PolarHBondContact O-N 2.95Å; A278-Y280 VanDerWaalsContact C-N 3.32Å; A278-Y280 PolarHBondContact O-N 3.23Å; A278-M282 HydrophobicContact CB-SD 4.13Å; A278-M282 WeakPolarHBondContact O-CB 3.49Å; A278-M282 VanDerWaalsContact O-CG 3.24Å; A278-M282 WeakPolarHBondContact O-CG 3.4Å; A278-M282 PolarHBondContact O-N 2.82Å
279F65.2Low65.5Low89 Ų8979.2 Ų79.239%0.3944%0.437SS..Hα-helixtrans-61.9-36.9173.7-96.9-86.9000113.3V275 V276 S277 V308V275-F279 HydrophobicContact CG1-CD2 4.45Å; V275-F279 PolarHBondContact O-N 3.35Å; V275-F279 VanDerWaalsContact O-N 3.15Å; V276-F279 WeakPolarHBondContact O-CB 3.49Å; V276-F279 PolarHBondContact O-N 2.86Å; S277-F279 VanDerWaalsContact C-N 3.3Å; S277-F279 PolarHBondContact O-N 3.29Å; F279-V308 HydrophobicContact CE2-CG2 4.36Å
280Y63.6Low65.3Low118 Ų11883.1 Ų83.146%0.46344%0.443SS..Hα-helixtrans-76.9-42.4-179.6-146.7-90.1000112.6V276 S277 A278V276-Y280 PolarHBondContact O-N 2.77Å; S277-Y280 PolarHBondContact O-N 3.06Å; S277-Y280 VanDerWaalsContact O-N 3.1Å; A278-Y280 VanDerWaalsContact C-N 3.32Å; A278-Y280 PolarHBondContact O-N 3.23Å
281F68.7Low64.8Low170 Ų17083.5 Ų83.575%0.74645%0.453SS*.Hα-helixtrans-92.4-22.8-172.6-70.3-68.4000114.7S277 G283S277-F281 WeakPolarHBondContact O-CB 3.21Å; S277-F281 WeakPolarHBondContact O-CD2 3.3Å; S277-F281 PolarHBondContact O-N 3.44Å; F281-G283 PolarHBondContact O-N 2.85Å
282M64.2Low64.4Low138 Ų13887.7 Ų87.768%0.6847%0.468SS*.SBendtrans-79.62.6177.4-66-178.3125.600113.5A278 N284A278-M282 HydrophobicContact CB-SD 4.13Å; A278-M282 WeakPolarHBondContact O-CB 3.49Å; A278-M282 VanDerWaalsContact O-CG 3.24Å; A278-M282 WeakPolarHBondContact O-CG 3.4Å; A278-M282 PolarHBondContact O-N 2.82Å; M282-N284 PolarHBondContact O-N 2.99Å
283G58.8Low64.1Low61 Ų6187 Ų8763%0.62948%0.475SS*.  trans67.219.2172.700000114.5F281 M285F281-G283 PolarHBondContact O-N 2.85Å; G283-M285 PolarHBondContact O-N 3.07Å
284N58.8Low63.8Low118 Ų11890.7 Ų90.763%0.63148%0.484SS*.  trans-76.13.4179.2-79-15.4000113.7M282M282-N284 PolarHBondContact O-N 2.99Å
285M59.9Low63.2Low36 Ų3691.2 Ų91.218%0.17749%0.486CS..SBendtrans-94.6126.9176.3-74.6-66.6-156.400110.5G283 F289 L301G283-M285 PolarHBondContact O-N 3.07Å; M285-F289 HydrophobicContact CB-CB 3.99Å; M285-F289 HydrophobicContact CB-CD1 4.03Å; M285-F289 HydrophobicContact CB-CG 3.92Å; M285-F289 HydrophobicContact CE-CD1 4.13Å; M285-F289 HydrophobicContact CE-CD2 3.87Å; M285-F289 HydrophobicContact CE-CE1 3.52Å; M285-F289 HydrophobicContact CE-CE2 3.23Å; M285-F289 HydrophobicContact CE-CG 4.29Å; M285-F289 HydrophobicContact CE-CZ 3.05Å; M285-F289 HydrophobicContact CG-CD1 3.92Å; M285-F289 HydrophobicContact CG-CD2 4.32Å; M285-F289 HydrophobicContact CG-CE1 4.14Å; M285-F289 HydrophobicContact CG-CG 4.02Å; M285-F289 HydrophobicContact CG-CZ 4.48Å; M285-F289 HydrophobicContact SD-CD1 3.99Å; M285-F289 HydrophobicContact SD-CD2 3.38Å; M285-F289 WeakPolarHBondContact SD-CD2 3.17Å; M285-F289 HydrophobicContact SD-CE1 4Å; M285-F289 HydrophobicContact SD-CE2 3.42Å; M285-F289 WeakPolarHBondContact SD-CE2 3.25Å; M285-F289 HydrophobicContact SD-CG 3.7Å; M285-F289 HydrophobicContact SD-CZ 3.76Å; M285-L301 HydrophobicContact CE-CD2 4.48Å
286P61.4Low62.9Low79 Ų7996 Ų9651%0.51350%0.5SS..  trans-56.2147.8174.9-21.230.9000111.1T288 F289P286-T288 WeakPolarHBondContact CB-OG1 3.31Å; P286-T288 PolarHBondContact O-N 2.66Å; P286-F289 WeakPolarHBondContact O-CA 3.34Å; P286-F289 WeakPolarHBondContact O-CB 3.32Å; P286-F289 PolarHBondContact O-N 2.74Å
287D62.5Low62.8Low148 Ų14894.3 Ų94.379%0.79149%0.49SS*.THydrogen-bonded Turntrans-53.9-25.6176.9-70-33.7000113.1F289 Y290D287-F289 PolarHBondContact O-N 3.37Å; D287-Y290 PolarHBondContact O-N 2.85Å
288T60.4Low62.6Low79 Ų7995 Ų9549%0.48549%0.493SS..Hα-helixtrans-61.1-26174.555.90000113P286 Y290 S291 Q292P286-T288 WeakPolarHBondContact CB-OG1 3.31Å; P286-T288 PolarHBondContact O-N 2.66Å; T288-Y290 VanDerWaalsContact C-N 3.28Å; T288-Y290 PolarHBondContact O-N 2.82Å; T288-S291 WeakPolarHBondContact CA-OG 3.27Å; T288-S291 PolarHBondContact O-N 2.67Å; T288-S291 PolarHBondContact O-OG 2.73Å; T288-Q292 PolarHBondContact O-N 2.9Å
289F57.8Low62.2Low19 Ų19100 Ų1008%0.08351%0.508CS..Hα-helixtrans-59.7-35.1-179.7-161.4-100.6000113.3M285 P286 D287 T297 I300 L301M285-F289 HydrophobicContact CB-CB 3.99Å; M285-F289 HydrophobicContact CB-CD1 4.03Å; M285-F289 HydrophobicContact CB-CG 3.92Å; M285-F289 HydrophobicContact CE-CD1 4.13Å; M285-F289 HydrophobicContact CE-CD2 3.87Å; M285-F289 HydrophobicContact CE-CE1 3.52Å; M285-F289 HydrophobicContact CE-CE2 3.23Å; M285-F289 HydrophobicContact CE-CG 4.29Å; M285-F289 HydrophobicContact CE-CZ 3.05Å; M285-F289 HydrophobicContact CG-CD1 3.92Å; M285-F289 HydrophobicContact CG-CD2 4.32Å; M285-F289 HydrophobicContact CG-CE1 4.14Å; M285-F289 HydrophobicContact CG-CG 4.02Å; M285-F289 HydrophobicContact CG-CZ 4.48Å; M285-F289 HydrophobicContact SD-CD1 3.99Å; M285-F289 HydrophobicContact SD-CD2 3.38Å; M285-F289 WeakPolarHBondContact SD-CD2 3.17Å; M285-F289 HydrophobicContact SD-CE1 4Å; M285-F289 HydrophobicContact SD-CE2 3.42Å; M285-F289 WeakPolarHBondContact SD-CE2 3.25Å; M285-F289 HydrophobicContact SD-CG 3.7Å; M285-F289 HydrophobicContact SD-CZ 3.76Å; P286-F289 WeakPolarHBondContact O-CA 3.34Å; P286-F289 WeakPolarHBondContact O-CB 3.32Å; P286-F289 PolarHBondContact O-N 2.74Å; D287-F289 PolarHBondContact O-N 3.37Å; F289-T297 HydrophobicContact CD1-CG2 4.16Å; F289-T297 HydrophobicContact CE1-CG2 3.52Å; F289-T297 HydrophobicContact CZ-CG2 3.9Å; F289-T297 PolarHBondContact O-OG1 3.09Å; F289-I300 HydrophobicContact CE2-CB 4.23Å; F289-I300 HydrophobicContact CE2-CD1 4.43Å; F289-I300 HydrophobicContact CE2-CG2 3.78Å; F289-I300 HydrophobicContact CZ-CG2 4.36Å; F289-L301 HydrophobicContact CZ-CD2 4.24Å; F289-L301 HydrophobicContact CZ-CG 4.16Å
290Y60.8Low62.1Low128 Ų12899 Ų9950%0.50251%0.506SS..Hα-helixtrans-84.4-20.2177.7-65.3-75.6000112.7D287 T288D287-Y290 PolarHBondContact O-N 2.85Å; T288-Y290 VanDerWaalsContact C-N 3.28Å; T288-Y290 PolarHBondContact O-N 2.82Å
291S62.4Low62.1Low91 Ų9196.2 Ų96.264%0.63650%0.498SS*.Hα-helixtrans-90.2-21.6-174.669.90000115.4T288 G293T288-S291 WeakPolarHBondContact CA-OG 3.27Å; T288-S291 PolarHBondContact O-N 2.67Å; T288-S291 PolarHBondContact O-OG 2.73Å; S291-G293 VanDerWaalsContact C-N 3.29Å; S291-G293 PolarHBondContact O-N 2.93Å
292Q59.5Low61.9Low115 Ų11594.5 Ų94.554%0.53749%0.494SS..SBendtrans-84.79.2-170.4-74.8-171.1-800115.8T288T288-Q292 PolarHBondContact O-N 2.9Å
293G62.3Low62Low37 Ų3790.2 Ų90.238%0.38149%0.486SS..  trans88.3144.5174.500000113.6S291 I295 Y296 T297S291-G293 VanDerWaalsContact C-N 3.29Å; S291-G293 PolarHBondContact O-N 2.93Å; G293-I295 VanDerWaalsContact C-N 3.26Å; G293-I295 PolarHBondContact O-N 2.96Å; G293-I295 VanDerWaalsContact O-N 3.09Å; G293-Y296 PolarHBondContact O-N 3.47Å; G293-Y296 VanDerWaalsContact O-N 3.09Å; G293-T297 PolarHBondContact O-N 2.84Å; G293-T297 PolarHBondContact O-OG1 3.1Å
294Y64.3Low62.4Low189 Ų18989.5 Ų89.574%0.74147%0.469SS*.Hα-helixtrans-48.7-40.5-172.7178.6-99.4000114.4T297 V298Y294-T297 WeakPolarHBondContact O-CB 3.09Å; Y294-T297 PolarHBondContact O-N 3.23Å; Y294-V298 HydrophobicContact CD1-CG2 4.16Å; Y294-V298 HydrophobicContact CD2-CG2 4.43Å; Y294-V298 HydrophobicContact CE1-CG2 3.78Å; Y294-V298 HydrophobicContact CE2-CG2 4.08Å; Y294-V298 HydrophobicContact CG-CG2 4.46Å; Y294-V298 VanDerWaalsContact O-CG2 3.29Å; Y294-V298 WeakPolarHBondContact O-CG2 3.3Å; Y294-V298 PolarHBondContact O-N 3.45Å
295I63Low62.6Low116 Ų11685 Ų8560%0.59545%0.45SS*.Hα-helixtrans-65.6-44.2-177.7-67.5175.2000111.6G293 T297 V298 F299G293-I295 VanDerWaalsContact C-N 3.26Å; G293-I295 PolarHBondContact O-N 2.96Å; G293-I295 VanDerWaalsContact O-N 3.09Å; I295-T297 VanDerWaalsContact C-N 3.34Å; I295-V298 PolarHBondContact O-N 3.34Å; I295-F299 HydrophobicContact CG2-CD2 3.66Å; I295-F299 HydrophobicContact CG2-CE2 3.64Å; I295-F299 VanDerWaalsContact O-CD2 3.3Å; I295-F299 WeakPolarHBondContact O-CD2 3.21Å; I295-F299 PolarHBondContact O-N 2.94Å
296Y62.2Low62.8Low150 Ų15085 Ų8559%0.58846%0.459SS*.Hα-helixtrans-63.9-43.4177.7-105.8-83.5000110.9G293 V298 F299 I300G293-Y296 PolarHBondContact O-N 3.47Å; G293-Y296 VanDerWaalsContact O-N 3.09Å; Y296-V298 VanDerWaalsContact C-N 3.34Å; Y296-V298 PolarHBondContact O-N 2.94Å; Y296-F299 PolarHBondContact O-N 2.74Å; Y296-I300 HydrophobicContact CD1-CD1 4.36Å; Y296-I300 WeakPolarHBondContact O-CB 3.39Å; Y296-I300 VanDerWaalsContact O-CG1 3.3Å; Y296-I300 WeakPolarHBondContact O-CG1 3.29Å; Y296-I300 PolarHBondContact O-N 2.87Å
297T63.6Low62.8Low25 Ų2586.4 Ų86.415%0.15346%0.462CS..Hα-helixtrans-57-46.5174.4-48.80000111.2F289 G293 Y294 I295 L301F289-T297 HydrophobicContact CD1-CG2 4.16Å; F289-T297 HydrophobicContact CE1-CG2 3.52Å; F289-T297 HydrophobicContact CZ-CG2 3.9Å; F289-T297 PolarHBondContact O-OG1 3.09Å; G293-T297 PolarHBondContact O-N 2.84Å; G293-T297 PolarHBondContact O-OG1 3.1Å; Y294-T297 WeakPolarHBondContact O-CB 3.09Å; Y294-T297 PolarHBondContact O-N 3.23Å; I295-T297 VanDerWaalsContact C-N 3.34Å; T297-L301 HydrophobicContact CG2-CD1 3.93Å; T297-L301 HydrophobicContact CG2-CG 4.48Å; T297-L301 VanDerWaalsContact O-CB 3.29Å; T297-L301 WeakPolarHBondContact O-CB 3.24Å; T297-L301 WeakPolarHBondContact O-CG 3.23Å; T297-L301 PolarHBondContact O-N 2.99Å
298V64.9Low63Low50 Ų5079.9 Ų79.930%0.30343%0.427SS..Hα-helixtrans-64.6-45.6178.8170.80000112.2Y294 I295 Y296 I300 L301 M302Y294-V298 HydrophobicContact CD1-CG2 4.16Å; Y294-V298 HydrophobicContact CD2-CG2 4.43Å; Y294-V298 HydrophobicContact CE1-CG2 3.78Å; Y294-V298 HydrophobicContact CE2-CG2 4.08Å; Y294-V298 HydrophobicContact CG-CG2 4.46Å; Y294-V298 VanDerWaalsContact O-CG2 3.29Å; Y294-V298 WeakPolarHBondContact O-CG2 3.3Å; Y294-V298 PolarHBondContact O-N 3.45Å; I295-V298 PolarHBondContact O-N 3.34Å; Y296-V298 VanDerWaalsContact C-N 3.34Å; Y296-V298 PolarHBondContact O-N 2.94Å; V298-I300 PolarHBondContact O-N 2.95Å; V298-L301 PolarHBondContact O-N 3.25Å; V298-M302 HydrophobicContact CG1-CG 4.4Å; V298-M302 HydrophobicContact CG1-SD 4.24Å; V298-M302 WeakPolarHBondContact O-CG 3.38Å; V298-M302 PolarHBondContact O-N 3.38Å
299F62.5Low63.1Low145 Ų14579.3 Ų79.364%0.63642%0.419SS*.Hα-helixtrans-64.5-41.2178.9-85.6-71.7000112.5I295 Y296 M302 G303I295-F299 HydrophobicContact CG2-CD2 3.66Å; I295-F299 HydrophobicContact CG2-CE2 3.64Å; I295-F299 VanDerWaalsContact O-CD2 3.3Å; I295-F299 WeakPolarHBondContact O-CD2 3.21Å; I295-F299 PolarHBondContact O-N 2.94Å; Y296-F299 PolarHBondContact O-N 2.74Å; F299-M302 PolarHBondContact O-N 2.78Å; F299-G303 PolarHBondContact O-N 2.92Å
300I63.1Low63.3Low68 Ų6880.5 Ų80.535%0.34943%0.43SS..Hα-helixtrans-66.1-41.2175.6-64.5168000110.1F289 Y296 V298 M302 G303 V304F289-I300 HydrophobicContact CE2-CB 4.23Å; F289-I300 HydrophobicContact CE2-CD1 4.43Å; F289-I300 HydrophobicContact CE2-CG2 3.78Å; F289-I300 HydrophobicContact CZ-CG2 4.36Å; Y296-I300 HydrophobicContact CD1-CD1 4.36Å; Y296-I300 WeakPolarHBondContact O-CB 3.39Å; Y296-I300 VanDerWaalsContact O-CG1 3.3Å; Y296-I300 WeakPolarHBondContact O-CG1 3.29Å; Y296-I300 PolarHBondContact O-N 2.87Å; V298-I300 PolarHBondContact O-N 2.95Å; I300-M302 PolarHBondContact O-N 3.44Å; I300-G303 PolarHBondContact O-N 2.82Å; I300-V304 HydrophobicContact CG2-CG2 4Å; I300-V304 WeakPolarHBondContact O-CB 3.32Å; I300-V304 WeakPolarHBondContact O-CG2 3.41Å; I300-V304 PolarHBondContact O-N 2.83Å
301L63.9Low63.4Low59 Ų5978.6 Ų78.631%0.30943%0.427SS..Hα-helixtrans-65.2-35.9175.3-75.2171.4000112.9M285 F289 T297 V298 G305M285-L301 HydrophobicContact CE-CD2 4.48Å; F289-L301 HydrophobicContact CZ-CD2 4.24Å; F289-L301 HydrophobicContact CZ-CG 4.16Å; T297-L301 HydrophobicContact CG2-CD1 3.93Å; T297-L301 HydrophobicContact CG2-CG 4.48Å; T297-L301 VanDerWaalsContact O-CB 3.29Å; T297-L301 WeakPolarHBondContact O-CB 3.24Å; T297-L301 WeakPolarHBondContact O-CG 3.23Å; T297-L301 PolarHBondContact O-N 2.99Å; V298-L301 PolarHBondContact O-N 3.25Å; L301-G305 WeakPolarHBondContact O-CA 3.24Å; L301-G305 PolarHBondContact O-N 2.86Å
302M63.6Low63.5Low134 Ų13475.2 Ų75.266%0.6640%0.403SS*.Hα-helixtrans-67.4-37.8172.5-74.4-175.869.300111.4V298 F299 I300 G306V298-M302 HydrophobicContact CG1-CG 4.4Å; V298-M302 HydrophobicContact CG1-SD 4.24Å; V298-M302 WeakPolarHBondContact O-CG 3.38Å; V298-M302 PolarHBondContact O-N 3.38Å; F299-M302 PolarHBondContact O-N 2.78Å; I300-M302 PolarHBondContact O-N 3.44Å; M302-G306 PolarHBondContact O-N 2.7Å
303G66.7Low63.5Low48 Ų4871 Ų7150%0.49538%0.384SS..Hα-helixtrans-68.3-52.5175.800000112.9F299 I300 G305 G306 L307F299-G303 PolarHBondContact O-N 2.92Å; I300-G303 PolarHBondContact O-N 2.82Å; G303-G305 VanDerWaalsContact C-N 3.33Å; G303-G306 PolarHBondContact O-N 3.08Å; G303-L307 PolarHBondContact O-N 3.11Å
304V66.7Low63.5Low46 Ų4669.9 Ų69.928%0.27937%0.369SS..Hα-helixtrans-63.7-40.5175.9175.20000110.4I300 L307 V308I300-V304 HydrophobicContact CG2-CG2 4Å; I300-V304 WeakPolarHBondContact O-CB 3.32Å; I300-V304 WeakPolarHBondContact O-CG2 3.41Å; I300-V304 PolarHBondContact O-N 2.83Å; V304-L307 WeakPolarHBondContact O-CB 3.41Å; V304-L307 PolarHBondContact O-N 3.28Å; V304-V308 HydrophobicContact CG1-CG2 4.35Å; V304-V308 WeakPolarHBondContact O-CB 3.4Å; V304-V308 VanDerWaalsContact O-CG2 3.29Å; V304-V308 WeakPolarHBondContact O-CG2 3.49Å; V304-V308 PolarHBondContact O-N 3.23Å
305G63.3Low63.4Low22 Ų2265.2 Ų65.223%0.22736%0.357CS..Hα-helixtrans-63.7-42176.300000112.2L301 G303 V308 H309L301-G305 WeakPolarHBondContact O-CA 3.24Å; L301-G305 PolarHBondContact O-N 2.86Å; G303-G305 VanDerWaalsContact C-N 3.33Å; G305-V308 PolarHBondContact O-N 3.18Å; G305-H309 WeakPolarHBondContact O-CB 3.22Å; G305-H309 PolarHBondContact O-N 3.29Å
306G63.4Low63.1Low36 Ų3663.8 Ų63.837%0.37135%0.35SS..Hα-helixtrans-62.4-41.8172.200000112.4M302 G303 H309 S310M302-G306 PolarHBondContact O-N 2.7Å; G303-G306 PolarHBondContact O-N 3.08Å; G306-H309 WeakPolarHBondContact O-CB 3.48Å; G306-H309 PolarHBondContact O-N 2.92Å; G306-S310 WeakPolarHBondContact O-CB 3.38Å; G306-S310 PolarHBondContact O-N 3.37Å; G306-S310 PolarHBondContact O-OG 3.1Å
307L62.8Low62.8Low110 Ų11058 Ų5858%0.57633%0.333SS*.Hα-helixtrans-63.1-42.7174.4-17670.6000111.7G303 V304 L311G303-L307 PolarHBondContact O-N 3.11Å; V304-L307 WeakPolarHBondContact O-CB 3.41Å; V304-L307 PolarHBondContact O-N 3.28Å; L307-L311 HydrophobicContact CG-CD1 4.13Å; L307-L311 WeakPolarHBondContact O-CB 3.34Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 3.46Å
308V65.1Low62.4Low11 Ų1159.4 Ų59.47%0.06734%0.335CS..Hα-helixtrans-64.4-45177164.10000111.2V275 F279 V304 G305 L311 V312V275-V308 HydrophobicContact CB-CG1 3.73Å; V275-V308 HydrophobicContact CG1-CB 4.33Å; V275-V308 HydrophobicContact CG1-CG1 3.35Å; V275-V308 HydrophobicContact CG1-CG2 3.98Å; V275-V308 HydrophobicContact CG2-CG1 4.48Å; F279-V308 HydrophobicContact CE2-CG2 4.36Å; V304-V308 HydrophobicContact CG1-CG2 4.35Å; V304-V308 WeakPolarHBondContact O-CB 3.4Å; V304-V308 VanDerWaalsContact O-CG2 3.29Å; V304-V308 WeakPolarHBondContact O-CG2 3.49Å; V304-V308 PolarHBondContact O-N 3.23Å; G305-V308 PolarHBondContact O-N 3.18Å; V308-L311 PolarHBondContact O-N 3.22Å; V308-V312 HydrophobicContact CG1-CG2 4.33Å; V308-V312 WeakPolarHBondContact O-CG2 3.48Å; V308-V312 PolarHBondContact O-N 3.41Å
309H62.4Low62.1Low67 Ų6763.1 Ų63.131%0.3135%0.348SS..Hα-helixtrans-53.5-55.4174.9-176.7107.1000110.6H268 E272 G305 G306 L311 V312 D313H268-H309 AromaticContact CE1-CE1 3.43Å; H268-H309 PolarHBondContact CE1-CE1 2.98Å; H268-H309 VanDerWaalsContact CE1-CE1 3.43Å; H268-H309 AromaticContact CE1-ND1 3.77Å; H268-H309 AromaticContact CE1-NE2 3.87Å; H268-H309 AromaticContact NE2-CE1 3.06Å; H268-H309 PolarHBondContact NE2-CE1 2.89Å; H268-H309 AromaticContact NE2-CG 3.98Å; H268-H309 AromaticContact NE2-ND1 3.15Å; H268-H309 PolarHBondContact NE2-ND1 2.99Å; H268-H309 VanDerWaalsContact NE2-ND1 3.15Å; H268-H309 AromaticContact NE2-NE2 3.92Å; E272-H309 IonicContact OE1-CE1 3.11Å; E272-H309 IonicContact OE1-CG 2.79Å; E272-H309 IonicContact OE1-ND1 3.25Å; E272-H309 PolarHBondContact OE1-ND1 3.43Å; G305-H309 WeakPolarHBondContact O-CB 3.22Å; G305-H309 PolarHBondContact O-N 3.29Å; G306-H309 WeakPolarHBondContact O-CB 3.48Å; G306-H309 PolarHBondContact O-N 2.92Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 3.16Å; H309-V312 PolarHBondContact O-N 3.39Å; H309-V312 VanDerWaalsContact O-N 3.15Å; H309-D313 IonicContact CD2-OD2 2.68Å; H309-D313 PolarHBondContact CD2-OD2 3.09Å; H309-D313 IonicContact NE2-OD2 3.92Å; H309-D313 PolarHBondContact NE2-OD2 2.92Å; H309-D313 PolarHBondContact O-N 2.95Å
310S62Low61.5Low44 Ų4458.4 Ų58.431%0.30833%0.331SS..Hα-helixtrans-56-44.4175.5-74.70000112.8G306 V312 D313 F314 E343G306-S310 WeakPolarHBondContact O-CB 3.38Å; G306-S310 PolarHBondContact O-N 3.37Å; G306-S310 PolarHBondContact O-OG 3.1Å; S310-V312 PolarHBondContact O-N 3.33Å; S310-D313 PolarHBondContact O-N 3.42Å; S310-F314 VanDerWaalsContact O-CB 3.22Å; S310-F314 WeakPolarHBondContact O-CB 3.37Å; S310-F314 PolarHBondContact O-N 3.44Å; S310-E343 WeakPolarHBondContact CB-OE1 3.47Å; S310-E343 VanDerWaalsContact O-OE1 3.09Å
311L64.3Low60.8Low87 Ų8755.8 Ų55.846%0.45532%0.319SS..Hα-helixtrans-65.1-39.3177.3-74.5170.2000112.7L307 V308 H309 N315L307-L311 HydrophobicContact CG-CD1 4.13Å; L307-L311 WeakPolarHBondContact O-CB 3.34Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 3.46Å; V308-L311 PolarHBondContact O-N 3.22Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 3.16Å; L311-N315 WeakPolarHBondContact O-CB 3.32Å; L311-N315 PolarHBondContact O-N 3.11Å; L311-N315 PolarHBondContact O-ND2 3.27Å
312V63.1Low60.1Low21 Ų2154.3 Ų54.313%0.12731%0.312CS..Hα-helixtrans-65.3-48.2176.8170.20000109.7A271 V275 V308 H309 S310 F314 N315 I316A271-V312 HydrophobicContact CB-CG1 4.21Å; V275-V312 HydrophobicContact CG2-CG2 4.14Å; V308-V312 HydrophobicContact CG1-CG2 4.33Å; V308-V312 WeakPolarHBondContact O-CG2 3.48Å; V308-V312 PolarHBondContact O-N 3.41Å; H309-V312 PolarHBondContact O-N 3.39Å; H309-V312 VanDerWaalsContact O-N 3.15Å; S310-V312 PolarHBondContact O-N 3.33Å; V312-F314 PolarHBondContact O-N 3.13Å; V312-N315 PolarHBondContact O-N 3.29Å; V312-I316 HydrophobicContact CG1-CD1 3.66Å; V312-I316 HydrophobicContact CG1-CG1 4.43Å; V312-I316 WeakPolarHBondContact O-CB 3.24Å; V312-I316 VanDerWaalsContact O-CG1 3.28Å; V312-I316 WeakPolarHBondContact O-CG1 3.3Å; V312-I316 PolarHBondContact O-N 3.49Å
313D60.8Low59.4Low25 Ų2552.2 Ų52.213%0.13430%0.304CS..Hα-helixtrans-59.3-47.4176.7-74-20.6000112H268 H309 S310 N315 I316 A317H268-D313 IonicContact CE1-OD1 3.89Å; H268-D313 PolarHBondContact CE1-OD1 3.27Å; H268-D313 IonicContact CE1-OD2 3.83Å; H268-D313 IonicContact ND1-OD1 4Å; H268-D313 PolarHBondContact ND1-OD1 3.39Å; H309-D313 IonicContact CD2-OD2 2.68Å; H309-D313 PolarHBondContact CD2-OD2 3.09Å; H309-D313 IonicContact NE2-OD2 3.92Å; H309-D313 PolarHBondContact NE2-OD2 2.92Å; H309-D313 PolarHBondContact O-N 2.95Å; S310-D313 PolarHBondContact O-N 3.42Å; D313-N315 PolarHBondContact O-N 3.43Å; D313-I316 PolarHBondContact O-N 3.38Å; D313-A317 WeakPolarHBondContact O-CB 3.43Å; D313-A317 PolarHBondContact O-N 3.09Å
314F62.6Low58.6Low15 Ų1552.1 Ų52.17%0.06629%0.291CS..Hα-helixtrans-57-48.1175.7174.1-84.7000111.9S310 V312 A317 Y318 E343 L346 M347S310-F314 VanDerWaalsContact O-CB 3.22Å; S310-F314 WeakPolarHBondContact O-CB 3.37Å; S310-F314 PolarHBondContact O-N 3.44Å; V312-F314 PolarHBondContact O-N 3.13Å; F314-A317 PolarHBondContact O-N 3.36Å; F314-Y318 WeakPolarHBondContact O-CB 3.39Å; F314-Y318 PolarHBondContact O-N 3.29Å; F314-E343 HydrophobicContact CD2-CB 4.03Å; F314-E343 HydrophobicContact CD2-CG 4.12Å; F314-L346 HydrophobicContact CE2-CB 4.01Å; F314-L346 HydrophobicContact CZ-CB 4.47Å; F314-M347 HydrophobicContact CD2-CG 3.72Å; F314-M347 HydrophobicContact CD2-SD 4.14Å; F314-M347 HydrophobicContact CE2-CB 4.37Å; F314-M347 HydrophobicContact CE2-CG 3.2Å; F314-M347 HydrophobicContact CE2-SD 4.21Å; F314-M347 HydrophobicContact CZ-CG 3.88Å
315N60.6Low57.8Low90 Ų9053.5 Ų53.548%0.48129%0.293SS..Hα-helixtrans-69.2-39.7-176.5-81.6-73.6000111.6L311 V312 D313 F319L311-N315 WeakPolarHBondContact O-CB 3.32Å; L311-N315 PolarHBondContact O-N 3.11Å; L311-N315 PolarHBondContact O-ND2 3.27Å; V312-N315 PolarHBondContact O-N 3.29Å; D313-N315 PolarHBondContact O-N 3.43Å; N315-F319 WeakPolarHBondContact O-CB 3.47Å; N315-F319 PolarHBondContact O-N 3.4Å
316I58.1Low57.3Low87 Ų8755.5 Ų55.545%0.44630%0.302SS..Hα-helixtrans-62.5-49.7174.3-67.6170000109.6V312 D313 Y318 F319 V320V312-I316 HydrophobicContact CG1-CD1 3.66Å; V312-I316 HydrophobicContact CG1-CG1 4.43Å; V312-I316 WeakPolarHBondContact O-CB 3.24Å; V312-I316 VanDerWaalsContact O-CG1 3.28Å; V312-I316 WeakPolarHBondContact O-CG1 3.3Å; V312-I316 PolarHBondContact O-N 3.49Å; D313-I316 PolarHBondContact O-N 3.38Å; I316-Y318 PolarHBondContact O-N 3Å; I316-F319 PolarHBondContact O-N 3.12Å; I316-V320 WeakPolarHBondContact O-CB 3.41Å; I316-V320 VanDerWaalsContact O-CG2 3.23Å; I316-V320 WeakPolarHBondContact O-CG2 3.31Å; I316-V320 PolarHBondContact O-N 2.91Å
317A55Low56.9Low28 Ų2856.2 Ų56.223%0.23130%0.297CS..Hα-helixtrans-61-45.5179.700000112.3D313 F314 V320 A321 I339 M347D313-A317 WeakPolarHBondContact O-CB 3.43Å; D313-A317 PolarHBondContact O-N 3.09Å; F314-A317 PolarHBondContact O-N 3.36Å; A317-V320 PolarHBondContact O-N 3.49Å; A317-A321 WeakPolarHBondContact O-CB 3.24Å; A317-A321 PolarHBondContact O-N 3.25Å; A317-I339 HydrophobicContact CB-CD1 3.75Å; A317-M347 HydrophobicContact CB-CE 4.25Å
318Y56Low56.6Low54 Ų5452.4 Ų52.421%0.21228%0.277CS..Hα-helixtrans-64.5-46.6178.3176.1-100.5000112.4F314 I316 V320 A321 V322 K350 N354F314-Y318 WeakPolarHBondContact O-CB 3.39Å; F314-Y318 PolarHBondContact O-N 3.29Å; I316-Y318 PolarHBondContact O-N 3Å; Y318-V320 VanDerWaalsContact C-N 3.3Å; Y318-V320 PolarHBondContact O-N 3.25Å; Y318-A321 PolarHBondContact O-N 3.2Å; Y318-V322 HydrophobicContact CD1-CG2 4.46Å; Y318-V322 HydrophobicContact CD2-CG2 3.89Å; Y318-V322 HydrophobicContact CE1-CG2 4.07Å; Y318-V322 HydrophobicContact CE2-CG2 3.43Å; Y318-V322 VanDerWaalsContact CE2-CG2 3.43Å; Y318-V322 HydrophobicContact CG-CG2 4.39Å; Y318-V322 WeakPolarHBondContact O-CG2 3.44Å; Y318-V322 PolarHBondContact O-N 2.92Å; Y318-K350 HydrophobicContact CD2-CB 4.42Å; Y318-K350 HydrophobicContact CD2-CD 4.47Å; Y318-K350 HydrophobicContact CE2-CB 3.5Å; Y318-K350 HydrophobicContact CE2-CD 3.91Å; Y318-K350 HydrophobicContact CE2-CG 4.38Å; Y318-N354 PolarHBondContact OH-ND2 2.84Å
319F57.6Low56.5Low128 Ų12856.6 Ų56.656%0.56130%0.298SS*.Hα-helixtrans-60.5-42.9178.7-178.8-92.3000111.3N315 I316 N323N315-F319 WeakPolarHBondContact O-CB 3.47Å; N315-F319 PolarHBondContact O-N 3.4Å; I316-F319 PolarHBondContact O-N 3.12Å; F319-N323 VanDerWaalsContact CD2-ND2 3.31Å; F319-N323 WeakPolarHBondContact CD2-ND2 3.38Å; F319-N323 VanDerWaalsContact CE2-ND2 3.26Å; F319-N323 WeakPolarHBondContact CE2-ND2 3.44Å; F319-N323 WeakPolarHBondContact O-CB 3.44Å; F319-N323 PolarHBondContact O-N 2.92Å; F319-N323 PolarHBondContact O-ND2 3.46Å
320V50.8Low56.5Low47 Ų4754.3 Ų54.329%0.28529%0.288SS..Hα-helixtrans-65.7-45.2176.91700000111I316 A317 Y318 H324 F325I316-V320 WeakPolarHBondContact O-CB 3.41Å; I316-V320 VanDerWaalsContact O-CG2 3.23Å; I316-V320 WeakPolarHBondContact O-CG2 3.31Å; I316-V320 PolarHBondContact O-N 2.91Å; A317-V320 PolarHBondContact O-N 3.49Å; Y318-V320 VanDerWaalsContact C-N 3.3Å; Y318-V320 PolarHBondContact O-N 3.25Å; V320-H324 WeakPolarHBondContact O-CB 3.42Å; V320-H324 PolarHBondContact O-N 3.22Å; V320-F325 HydrophobicContact CG1-CD2 4.27Å; V320-F325 HydrophobicContact CG1-CE2 3.68Å; V320-F325 WeakPolarHBondContact O-CD2 3.36Å
321A47.1Very low56.3Low13 Ų1353.5 Ų53.511%0.10729%0.287CS..Hα-helixtrans-62.6-48.1-179.200000112.8A317 Y318 F325 I328 L351A317-A321 WeakPolarHBondContact O-CB 3.24Å; A317-A321 PolarHBondContact O-N 3.25Å; Y318-A321 PolarHBondContact O-N 3.2Å; A321-F325 PolarHBondContact O-N 3.12Å; A321-I328 HydrophobicContact CB-CD1 3.92Å; A321-L351 HydrophobicContact CB-CD2 3.78Å
322V50.6Low55.7Low27 Ų2752.7 Ų52.716%0.16428%0.281CS..Hα-helixtrans-69.2-41.8-176.1172.10000112.3Y318 L351 N354 Q356Y318-V322 HydrophobicContact CD1-CG2 4.46Å; Y318-V322 HydrophobicContact CD2-CG2 3.89Å; Y318-V322 HydrophobicContact CE1-CG2 4.07Å; Y318-V322 HydrophobicContact CE2-CG2 3.43Å; Y318-V322 VanDerWaalsContact CE2-CG2 3.43Å; Y318-V322 HydrophobicContact CG-CG2 4.39Å; Y318-V322 WeakPolarHBondContact O-CG2 3.44Å; Y318-V322 PolarHBondContact O-N 2.92Å; V322-L351 HydrophobicContact CG2-CD2 3.81Å; V322-N354 HydrophobicContact CG1-CB 4.1Å; V322-N354 HydrophobicContact CG2-CB 4.47Å; V322-Q356 PolarHBondContact O-NE2 3.4Å
323N48.3Very low54.7Low91 Ų9157.6 Ų57.649%0.48731%0.31SS..Hα-helixtrans-85.4-20.6-171.4-68.2-59.4000114.3F319F319-N323 VanDerWaalsContact CD2-ND2 3.31Å; F319-N323 WeakPolarHBondContact CD2-ND2 3.38Å; F319-N323 VanDerWaalsContact CE2-ND2 3.26Å; F319-N323 WeakPolarHBondContact CE2-ND2 3.44Å; F319-N323 WeakPolarHBondContact O-CB 3.44Å; F319-N323 PolarHBondContact O-N 2.92Å; F319-N323 PolarHBondContact O-ND2 3.46Å
324H50.6Low53.8Low45 Ų4558.6 Ų58.621%0.20832%0.316CS..Hα-helixtrans-122.7-18-170-58.2-54.8000114.9V320 I479V320-H324 WeakPolarHBondContact O-CB 3.42Å; V320-H324 PolarHBondContact O-N 3.22Å; H324-I479 VanDerWaalsContact CE1-CD1 3.45Å; H324-I479 WeakPolarHBondContact CE1-CD1 3.41Å; H324-I479 WeakPolarHBondContact NE2-CD1 3.36Å
325F49.7Very low52.2Low75 Ų7563 Ų6333%0.32935%0.348SS..  trans-127.499.5-170.9-60.8-73.1000111.9V320 A321 I327 I328 Q356V320-F325 HydrophobicContact CG1-CD2 4.27Å; V320-F325 HydrophobicContact CG1-CE2 3.68Å; V320-F325 WeakPolarHBondContact O-CD2 3.36Å; A321-F325 PolarHBondContact O-N 3.12Å; F325-I327 PolarHBondContact O-N 2.91Å; F325-I328 HydrophobicContact CB-CG1 4.13Å; F325-Q356 WeakPolarHBondContact O-CG 3.13Å
326P52.4Low50.9Low65 Ų6562 Ų6242%0.42235%0.348SS..SBendtrans-69.2-21.5173.927.6-33.4000112.7Q356 N357 Y403P326-Q356 WeakPolarHBondContact O-CA 3.29Å; P326-N357 PolarHBondContact O-N 3.37Å; P326-Y403 HydrophobicContact CB-CE1 4.18Å; P326-Y403 HydrophobicContact CB-CE2 4.23Å; P326-Y403 PolarHBondContact O-OH 3.42Å; P326-Y403 VanDerWaalsContact O-OH 3.05Å
327I54.6Low49.8Very low51 Ų5169.5 Ų69.526%0.26237%0.373SS..EExtended strand (participates in β ladder)trans-125.1130.1176.7-51.7-174.3000108.6F325 N357 L359 L396 V399F325-I327 PolarHBondContact O-N 2.91Å; I327-N357 CarbonylContact C-O 3.58Å; I327-N357 VanDerWaalsContact CA-O 3.28Å; I327-N357 WeakPolarHBondContact CA-O 3.38Å; I327-L359 HydrophobicContact CG2-CD1 4.04Å; I327-L359 HydrophobicContact CG2-CG 4.29Å; I327-L396 HydrophobicContact CD1-CD2 3.54Å; I327-L396 HydrophobicContact CG2-CD2 4.34Å; I327-V399 HydrophobicContact CD1-CB 4.13Å; I327-V399 HydrophobicContact CD1-CG1 3.8Å; I327-V399 HydrophobicContact CG1-CG1 3.88Å
328I57.1Low49.1Very low30 Ų3070.4 Ų70.415%0.15438%0.38CS..EExtended strand (participates in β ladder)trans-125118.5-178.7-60.9171.1000108.2A321 F325 I330 L351 Q356 N357 I358 L359A321-I328 HydrophobicContact CB-CD1 3.92Å; F325-I328 HydrophobicContact CB-CG1 4.13Å; I328-I330 HydrophobicContact CG2-CD1 4.48Å; I328-I330 HydrophobicContact CG2-CG1 3.99Å; I328-L351 HydrophobicContact CD1-CD1 3.7Å; I328-L351 HydrophobicContact CD1-CD2 3.69Å; I328-L351 HydrophobicContact CD1-CG 4.2Å; I328-Q356 HydrophobicContact CD1-CB 4.11Å; I328-Q356 HydrophobicContact CD1-CG 4.08Å; I328-N357 PolarHBondContact N-O 2.93Å; I328-I358 CarbonylContact O-C 3.46Å; I328-I358 VanDerWaalsContact O-CA 3.31Å; I328-I358 WeakPolarHBondContact O-CA 3.49Å; I328-L359 PolarHBondContact O-N 2.8Å
329I62.2Low48.6Very low99 Ų9969.2 Ų69.251%0.50838%0.377SS..EExtended strand (participates in β ladder)trans-100.3127.5175.1-49.1-174.8000108.9L359 E361I329-L359 CarbonylContact C-O 3.55Å; I329-L359 WeakPolarHBondContact CA-O 3.44Å; I329-L359 HydrophobicContact CD1-CD1 4.4Å; I329-L359 HydrophobicContact CG1-CB 4.18Å; I329-L359 HydrophobicContact CG1-CD1 4.26Å; I329-L359 HydrophobicContact CG2-CB 4.44Å; I329-E361 HydrophobicContact CG2-CB 4.22Å
330I63.3Low48.2Very low18 Ų1865.7 Ų65.79%0.09237%0.368CS..EExtended strand (participates in β ladder)trans-116.2121.7-175-56.6176.7000109.3I328 I334 M344 L348 I358 L359 R360 E361I328-I330 HydrophobicContact CG2-CD1 4.48Å; I328-I330 HydrophobicContact CG2-CG1 3.99Å; I330-I334 HydrophobicContact CG2-CD1 3.09Å; I330-I334 HydrophobicContact CG2-CG1 3.56Å; I330-M344 HydrophobicContact CD1-CE 3.59Å; I330-M344 HydrophobicContact CG1-CE 4.48Å; I330-M344 HydrophobicContact CG2-CE 4.4Å; I330-L348 HydrophobicContact CD1-CD2 3.61Å; I330-I358 HydrophobicContact CD1-CG2 3.31Å; I330-I358 HydrophobicContact CG1-CG2 4Å; I330-L359 PolarHBondContact N-O 3.19Å; I330-R360 CarbonylContact O-C 3.53Å; I330-R360 WeakPolarHBondContact O-CA 3.3Å; I330-E361 PolarHBondContact O-N 2.93Å
331G58Low48.5Very low28 Ų2867.6 Ų67.629%0.28938%0.384SS..  trans-72.2159.9176.900000114.2T333 I334G331-T333 PolarHBondContact O-N 3Å; G331-I334 WeakPolarHBondContact O-CG1 3.34Å
332E51.2Low49.1Very low70 Ų7074.1 Ų74.133%0.32741%0.407SS..SBendtrans-57.9-30.8176.3-102.8180-155.400113.5E361 V362 D363 H364E332-E361 PolarHBondContact N-O 3.05Å; E332-V362 HydrophobicContact CG-CG1 4.32Å; E332-V362 VanDerWaalsContact OE1-CA 3.31Å; E332-V362 WeakPolarHBondContact OE1-CA 3.46Å; E332-V362 WeakPolarHBondContact OE1-CB 3.23Å; E332-D363 PolarHBondContact OE1-N 3.21Å; E332-H364 IonicContact OE1-CE1 3.42Å; E332-H364 PolarHBondContact OE1-CE1 3.28Å; E332-H364 IonicContact OE1-ND1 2.84Å; E332-H364 PolarHBondContact OE1-ND1 3.08Å
333T42.9Very low49.5Very low123 Ų12373.7 Ų73.776%0.75540%0.403SS*.  trans-103.573.2-177.627.80000112.1G331 S335G331-T333 PolarHBondContact O-N 3Å; T333-S335 PolarHBondContact O-N 3.11Å
334I40.5Very low50.1Low47 Ų4770.3 Ų70.324%0.24139%0.385CS..  trans-83.554.1164-33.4168.2000110.1I330 G331 M344I330-I334 HydrophobicContact CG2-CD1 3.09Å; I330-I334 HydrophobicContact CG2-CG1 3.56Å; G331-I334 WeakPolarHBondContact O-CG1 3.34Å; I334-M344 HydrophobicContact CD1-CE 3.87Å; I334-M344 HydrophobicContact CD1-CG 3.8Å; I334-M344 HydrophobicContact CD1-SD 4.13Å; I334-M344 HydrophobicContact CG2-CG 3.86Å; I334-M344 HydrophobicContact CG2-SD 4.2Å
335S29.4Very low50.8Low106 Ų10674.2 Ų74.274%0.74140%0.403SS*.  trans-117.647.8159.488.10000108.6T333T333-S335 PolarHBondContact O-N 3.11Å
336S33.5Very low51.6Low71 Ų7174.2 Ų74.250%0.49741%0.406SS..SBendtrans-81.1146.5161.169.70000107.5A338S336-A338 PolarHBondContact O-N 3.06Å
337Y35.6Very low52.2Low243 Ų24371.5 Ų71.595%0.95339%0.387SS*.THydrogen-bonded Turntrans-55.8-0.7-176.4-75.9-95.1000115.5
338A39.5Very low52.9Low48 Ų4869.8 Ų69.840%0.39738%0.379SS..THydrogen-bonded Turntrans-103-26.9-17000000115S336S336-A338 PolarHBondContact O-N 3.06Å
339I45.4Very low53.4Low29 Ų2971.4 Ų71.415%0.14939%0.391CS..  trans-146.6117-178.9-51.5178.7000109.1A317 E343 M344 M347A317-I339 HydrophobicContact CB-CD1 3.75Å; I339-E343 HydrophobicContact CG2-CB 3.46Å; I339-E343 VanDerWaalsContact CG2-CB 3.46Å; I339-M344 HydrophobicContact CG2-CG 3.84Å; I339-M344 HydrophobicContact CG2-SD 3.82Å; I339-M347 HydrophobicContact CD1-SD 4.05Å; I339-M347 HydrophobicContact CG2-SD 4.32Å
340S50.6Low53.8Low53 Ų5370.7 Ų70.737%0.37139%0.385SS..  trans-69.4157.8173.967.20000112Y342 E343 M344S340-Y342 PolarHBondContact O-N 3.25Å; S340-Y342 VanDerWaalsContact O-N 3.15Å; S340-E343 VanDerWaalsContact CB-OE2 3.3Å; S340-E343 WeakPolarHBondContact CB-OE2 3.48Å; S340-E343 PolarHBondContact N-OE2 3.49Å; S340-E343 PolarHBondContact O-N 2.91Å; S340-E343 WeakPolarHBondContact OG-CG 3.43Å; S340-E343 PolarHBondContact OG-N 2.98Å; S340-E343 PolarHBondContact OG-OE2 3.02Å; S340-M344 PolarHBondContact O-N 3.28Å
341S55.4Low53.9Low87 Ų8770 Ų7061%0.60838%0.381SS*.Hα-helixtrans-56.5-31.7174.9-48.30000112.7M344 E345S341-M344 PolarHBondContact O-N 2.91Å; S341-E345 WeakPolarHBondContact O-CG 3.13Å; S341-E345 PolarHBondContact O-N 2.87Å; S341-E345 VanDerWaalsContact O-N 3.1Å
342Y60.1Low54.5Low151 Ų15175.9 Ų75.959%0.59240%0.395SS*.Hα-helixtrans-68.5-41.7175178.5-106.7000112.6S340 M344 E345 L346S340-Y342 PolarHBondContact O-N 3.25Å; S340-Y342 VanDerWaalsContact O-N 3.15Å; Y342-M344 VanDerWaalsContact C-N 3.31Å; Y342-M344 PolarHBondContact O-N 3.08Å; Y342-E345 WeakPolarHBondContact O-CB 3.22Å; Y342-E345 PolarHBondContact O-N 3.22Å; Y342-L346 HydrophobicContact CD1-CD1 3.98Å; Y342-L346 HydrophobicContact CE1-CD1 3.44Å; Y342-L346 VanDerWaalsContact CE1-CD1 3.44Å; Y342-L346 HydrophobicContact CE1-CG 4.33Å; Y342-L346 PolarHBondContact O-N 2.98Å; Y342-L346 VanDerWaalsContact O-N 3.12Å
343E58.4Low55.6Low17 Ų1780.2 Ų80.28%0.07942%0.415CS..Hα-helixtrans-64.7-37.6175.5-76.1160.7139.700111.4S310 F314 I339 S340 L346 M347S310-E343 WeakPolarHBondContact CB-OE1 3.47Å; S310-E343 VanDerWaalsContact O-OE1 3.09Å; F314-E343 HydrophobicContact CD2-CB 4.03Å; F314-E343 HydrophobicContact CD2-CG 4.12Å; I339-E343 HydrophobicContact CG2-CB 3.46Å; I339-E343 VanDerWaalsContact CG2-CB 3.46Å; S340-E343 VanDerWaalsContact CB-OE2 3.3Å; S340-E343 WeakPolarHBondContact CB-OE2 3.48Å; S340-E343 PolarHBondContact N-OE2 3.49Å; S340-E343 PolarHBondContact O-N 2.91Å; S340-E343 WeakPolarHBondContact OG-CG 3.43Å; S340-E343 PolarHBondContact OG-N 2.98Å; S340-E343 PolarHBondContact OG-OE2 3.02Å; E343-L346 CarbonylContact O-C 3.46Å; E343-L346 WeakPolarHBondContact O-CB 3.48Å; E343-L346 PolarHBondContact O-N 2.82Å; E343-L346 VanDerWaalsContact O-N 3.14Å; E343-M347 VanDerWaalsContact O-CG 3.31Å; E343-M347 WeakPolarHBondContact O-CG 3.49Å; E343-M347 PolarHBondContact O-N 2.69Å
344M62.7Low56.8Low21 Ų2177.8 Ų77.810%0.10340%0.397CS..Hα-helixtrans-61.5-43.7172.1-71.8-59.5-51.900112.4I330 I334 I339 S340 S341 Y342 L346 M347 L348I330-M344 HydrophobicContact CD1-CE 3.59Å; I330-M344 HydrophobicContact CG1-CE 4.48Å; I330-M344 HydrophobicContact CG2-CE 4.4Å; I334-M344 HydrophobicContact CD1-CE 3.87Å; I334-M344 HydrophobicContact CD1-CG 3.8Å; I334-M344 HydrophobicContact CD1-SD 4.13Å; I334-M344 HydrophobicContact CG2-CG 3.86Å; I334-M344 HydrophobicContact CG2-SD 4.2Å; I339-M344 HydrophobicContact CG2-CG 3.84Å; I339-M344 HydrophobicContact CG2-SD 3.82Å; S340-M344 PolarHBondContact O-N 3.28Å; S341-M344 PolarHBondContact O-N 2.91Å; Y342-M344 VanDerWaalsContact C-N 3.31Å; Y342-M344 PolarHBondContact O-N 3.08Å; M344-L346 PolarHBondContact O-N 2.99Å; M344-M347 PolarHBondContact O-N 3.21Å; M344-M347 VanDerWaalsContact O-N 3.11Å; M344-L348 HydrophobicContact CE-CD2 4.01Å; M344-L348 HydrophobicContact CE-CG 4.15Å; M344-L348 VanDerWaalsContact O-CG 3.29Å; M344-L348 WeakPolarHBondContact O-CG 3.47Å; M344-L348 PolarHBondContact O-N 3.38Å
345E64.6Low58.3Low127 Ų12776.4 Ų76.459%0.59340%0.395SS*.Hα-helixtrans-59.6-29.6174.6-75.2178.9177.100112.6S341 Y342 P349S341-E345 WeakPolarHBondContact O-CG 3.13Å; S341-E345 PolarHBondContact O-N 2.87Å; S341-E345 VanDerWaalsContact O-N 3.1Å; Y342-E345 WeakPolarHBondContact O-CB 3.22Å; Y342-E345 PolarHBondContact O-N 3.22Å; E345-P349 WeakPolarHBondContact O-CD 3.28Å; E345-P349 WeakPolarHBondContact O-CG 3.49Å
346L65.3Low59.9Low74 Ų7471.9 Ų71.939%0.38736%0.362SS..Hα-helixtrans-81.7-31.9173.7-70.2170.9000113.6F314 Y342 E343 M344F314-L346 HydrophobicContact CE2-CB 4.01Å; F314-L346 HydrophobicContact CZ-CB 4.47Å; Y342-L346 HydrophobicContact CD1-CD1 3.98Å; Y342-L346 HydrophobicContact CE1-CD1 3.44Å; Y342-L346 VanDerWaalsContact CE1-CD1 3.44Å; Y342-L346 HydrophobicContact CE1-CG 4.33Å; Y342-L346 PolarHBondContact O-N 2.98Å; Y342-L346 VanDerWaalsContact O-N 3.12Å; E343-L346 CarbonylContact O-C 3.46Å; E343-L346 WeakPolarHBondContact O-CB 3.48Å; E343-L346 PolarHBondContact O-N 2.82Å; E343-L346 VanDerWaalsContact O-N 3.14Å; M344-L346 PolarHBondContact O-N 2.99Å
347M66.1Low61.5Low8 Ų868.9 Ų68.94%0.03934%0.34CS..Hα-helixtrans-77.2-45.6-179.2-73.2-175.167.900112.4F314 A317 I339 E343 M344 K350 L351F314-M347 HydrophobicContact CD2-CG 3.72Å; F314-M347 HydrophobicContact CD2-SD 4.14Å; F314-M347 HydrophobicContact CE2-CB 4.37Å; F314-M347 HydrophobicContact CE2-CG 3.2Å; F314-M347 HydrophobicContact CE2-SD 4.21Å; F314-M347 HydrophobicContact CZ-CG 3.88Å; A317-M347 HydrophobicContact CB-CE 4.25Å; I339-M347 HydrophobicContact CD1-SD 4.05Å; I339-M347 HydrophobicContact CG2-SD 4.32Å; E343-M347 VanDerWaalsContact O-CG 3.31Å; E343-M347 WeakPolarHBondContact O-CG 3.49Å; E343-M347 PolarHBondContact O-N 2.69Å; M344-M347 PolarHBondContact O-N 3.21Å; M344-M347 VanDerWaalsContact O-N 3.11Å; M347-K350 PolarHBondContact O-N 3.3Å; M347-L351 HydrophobicContact CB-CD1 4.37Å; M347-L351 HydrophobicContact CE-CD1 4.47Å; M347-L351 WeakPolarHBondContact O-CG 3.47Å; M347-L351 PolarHBondContact O-N 3Å
348L68.3Low63.1Low16 Ų1657.3 Ų57.38%0.08430%0.295CS..Hα-helixtrans-55-45.9-171.6-71173.3000113.3I330 M344 K350 L351 R352 I358I330-L348 HydrophobicContact CD1-CD2 3.61Å; M344-L348 HydrophobicContact CE-CD2 4.01Å; M344-L348 HydrophobicContact CE-CG 4.15Å; M344-L348 VanDerWaalsContact O-CG 3.29Å; M344-L348 WeakPolarHBondContact O-CG 3.47Å; M344-L348 PolarHBondContact O-N 3.38Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.28Å; L348-L351 PolarHBondContact O-N 3.47Å; L348-R352 WeakPolarHBondContact O-CB 3.24Å; L348-R352 PolarHBondContact O-N 3.38Å; L348-I358 HydrophobicContact CD2-CD1 3.57Å; L348-I358 HydrophobicContact CD2-CG2 3.9Å
349P69.2Low64.4Low64 Ų6455.3 Ų55.342%0.41628%0.277SS..Hα-helixtrans-62.1-40.2176.1-22.834.7000112.8E345 R352 E353E345-P349 WeakPolarHBondContact O-CD 3.28Å; E345-P349 WeakPolarHBondContact O-CG 3.49Å; P349-R352 WeakPolarHBondContact O-CB 3.31Å; P349-R352 PolarHBondContact O-N 3.46Å; P349-E353 WeakPolarHBondContact O-CG 3.25Å; P349-E353 PolarHBondContact O-N 2.8Å
350K69.9Low65.5Low84 Ų8457 Ų5737%0.36528%0.282SS..Hα-helixtrans-69.3-38.4-179.7-63.7-178.1177.6-178.30112.4Y318 M347 L348 R352 E353 N354Y318-K350 HydrophobicContact CD2-CB 4.42Å; Y318-K350 HydrophobicContact CD2-CD 4.47Å; Y318-K350 HydrophobicContact CE2-CB 3.5Å; Y318-K350 HydrophobicContact CE2-CD 3.91Å; Y318-K350 HydrophobicContact CE2-CG 4.38Å; M347-K350 PolarHBondContact O-N 3.3Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.28Å; K350-R352 VanDerWaalsContact C-N 3.35Å; K350-E353 PolarHBondContact O-N 3.07Å; K350-N354 PolarHBondContact O-N 2.82Å; K350-N354 PolarHBondContact O-ND2 3.05Å
351L65.1Low66.2Low4 Ų457.7 Ų57.72%0.02128%0.279CS..Hα-helixtrans-63.4-43.9173.4-68.7173.1000110.2A321 V322 I328 M347 L348 E353 N354 G355 Q356 I358A321-L351 HydrophobicContact CB-CD2 3.78Å; V322-L351 HydrophobicContact CG2-CD2 3.81Å; I328-L351 HydrophobicContact CD1-CD1 3.7Å; I328-L351 HydrophobicContact CD1-CD2 3.69Å; I328-L351 HydrophobicContact CD1-CG 4.2Å; M347-L351 HydrophobicContact CB-CD1 4.37Å; M347-L351 HydrophobicContact CE-CD1 4.47Å; M347-L351 WeakPolarHBondContact O-CG 3.47Å; M347-L351 PolarHBondContact O-N 3Å; L348-L351 PolarHBondContact O-N 3.47Å; L351-E353 PolarHBondContact O-N 3.15Å; L351-N354 PolarHBondContact O-N 2.9Å; L351-G355 PolarHBondContact O-N 3.35Å; L351-G355 VanDerWaalsContact O-N 3.15Å; L351-Q356 HydrophobicContact CB-CB 4.26Å; L351-Q356 HydrophobicContact CD2-CG 4.42Å; L351-Q356 PolarHBondContact O-N 3.39Å; L351-Q356 PolarHBondContact O-OE1 2.63Å; L351-I358 HydrophobicContact CB-CD1 3.75Å; L351-I358 HydrophobicContact CD1-CD1 4.19Å
352R69.8Low66.8Low151 Ų15153.6 Ų53.657%0.5725%0.251SS*.Hα-helixtrans-60.8-43.4174.7-176-176.3175.9-176.22.4112.5L348 P349 K350 N354 G355L348-R352 WeakPolarHBondContact O-CB 3.24Å; L348-R352 PolarHBondContact O-N 3.38Å; P349-R352 WeakPolarHBondContact O-CB 3.31Å; P349-R352 PolarHBondContact O-N 3.46Å; K350-R352 VanDerWaalsContact C-N 3.35Å; R352-N354 VanDerWaalsContact C-N 3.31Å; R352-N354 PolarHBondContact O-N 3.08Å; R352-G355 WeakPolarHBondContact O-CA 3.29Å; R352-G355 PolarHBondContact O-N 3.47Å
353E74.9Confident67.2Low160 Ų16051.9 Ų51.975%0.74825%0.252SS*.Hα-helixtrans-63.2-35.4178-77.3173.8-176.800112.7P349 K350 L351 G355P349-E353 WeakPolarHBondContact O-CG 3.25Å; P349-E353 PolarHBondContact O-N 2.8Å; K350-E353 PolarHBondContact O-N 3.07Å; L351-E353 PolarHBondContact O-N 3.15Å; E353-G355 PolarHBondContact O-N 3.38Å
354N68.9Low67.8Low73 Ų7355.3 Ų55.339%0.3927%0.268SS..THydrogen-bonded Turntrans-80.7-0.1174.4-73.6-68.3000113.3Y318 V322 K350 L351 R352 Q356Y318-N354 PolarHBondContact OH-ND2 2.84Å; V322-N354 HydrophobicContact CG1-CB 4.1Å; V322-N354 HydrophobicContact CG2-CB 4.47Å; K350-N354 PolarHBondContact O-N 2.82Å; K350-N354 PolarHBondContact O-ND2 3.05Å; L351-N354 PolarHBondContact O-N 2.9Å; R352-N354 VanDerWaalsContact C-N 3.31Å; R352-N354 PolarHBondContact O-N 3.08Å; N354-Q356 VanDerWaalsContact C-OE1 3.29Å
355G71.1Confident68.2Low18 Ų1859 Ų5919%0.18630%0.296CS..THydrogen-bonded Turntrans92.5-0.5171.500000115.1L351 R352 E353 Y403L351-G355 PolarHBondContact O-N 3.35Å; L351-G355 VanDerWaalsContact O-N 3.15Å; R352-G355 WeakPolarHBondContact O-CA 3.29Å; R352-G355 PolarHBondContact O-N 3.47Å; E353-G355 PolarHBondContact O-N 3.38Å; G355-Y403 VanDerWaalsContact C-OH 3.3Å; G355-Y403 PolarHBondContact O-OH 2.84Å
356Q64.3Low68.4Low10 Ų1054.1 Ų54.15%0.04727%0.273CS..  trans-59.9142178.6-73.773.923.100111.3V322 F325 P326 I328 L351 N354 Y403V322-Q356 PolarHBondContact O-NE2 3.4Å; F325-Q356 WeakPolarHBondContact O-CG 3.13Å; P326-Q356 WeakPolarHBondContact O-CA 3.29Å; I328-Q356 HydrophobicContact CD1-CB 4.11Å; I328-Q356 HydrophobicContact CD1-CG 4.08Å; L351-Q356 HydrophobicContact CB-CB 4.26Å; L351-Q356 HydrophobicContact CD2-CG 4.42Å; L351-Q356 PolarHBondContact O-N 3.39Å; L351-Q356 PolarHBondContact O-OE1 2.63Å; N354-Q356 VanDerWaalsContact C-OE1 3.29Å; Q356-Y403 WeakPolarHBondContact CA-OH 3.39Å
357N67.1Low69Low9 Ų953.3 Ų53.35%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-100.1118.7178-158.5-63.7000109.6P326 I327 I328 N380 V399P326-N357 PolarHBondContact O-N 3.37Å; I327-N357 CarbonylContact C-O 3.58Å; I327-N357 VanDerWaalsContact CA-O 3.28Å; I327-N357 WeakPolarHBondContact CA-O 3.38Å; I328-N357 PolarHBondContact N-O 2.93Å; N357-N380 WeakPolarHBondContact CA-OD1 3.29Å; N357-N380 WeakPolarHBondContact OD1-CB 3.43Å; N357-V399 HydrophobicContact CB-CB 4.32Å; N357-V399 HydrophobicContact CB-CG1 3.35Å; N357-V399 HydrophobicContact CB-CG2 4.02Å; N357-V399 WeakPolarHBondContact ND2-CG1 3.13Å; N357-V399 WeakPolarHBondContact ND2-CG2 3.36Å; N357-V399 WeakPolarHBondContact OD1-CG2 3.39Å
358I67.5Low69.6Low0 Ų061.3 Ų61.30%031%0.311CS..EExtended strand (participates in β ladder)trans-107.8116.1-167.8-51.7178.6000109I328 I330 L348 L351 I379 N380 G381I328-I358 CarbonylContact O-C 3.46Å; I328-I358 VanDerWaalsContact O-CA 3.31Å; I328-I358 WeakPolarHBondContact O-CA 3.49Å; I330-I358 HydrophobicContact CD1-CG2 3.31Å; I330-I358 HydrophobicContact CG1-CG2 4Å; L348-I358 HydrophobicContact CD2-CD1 3.57Å; L348-I358 HydrophobicContact CD2-CG2 3.9Å; L351-I358 HydrophobicContact CB-CD1 3.75Å; L351-I358 HydrophobicContact CD1-CD1 4.19Å; I358-I379 CarbonylContact O-C 3.6Å; I358-I379 VanDerWaalsContact O-CG2 3.31Å; I358-I379 WeakPolarHBondContact O-CG2 3.49Å; I358-N380 PolarHBondContact N-OD1 3.43Å; I358-N380 PolarHBondContact O-N 3.44Å; I358-G381 PolarHBondContact O-N 2.85Å
359L68Low70Confident5 Ų568.9 Ų68.93%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-103.8144.7176.4-54.2178.1000109.9I327 I328 I329 I330 G381 V383 L396I327-L359 HydrophobicContact CG2-CD1 4.04Å; I327-L359 HydrophobicContact CG2-CG 4.29Å; I328-L359 PolarHBondContact O-N 2.8Å; I329-L359 CarbonylContact C-O 3.55Å; I329-L359 WeakPolarHBondContact CA-O 3.44Å; I329-L359 HydrophobicContact CD1-CD1 4.4Å; I329-L359 HydrophobicContact CG1-CB 4.18Å; I329-L359 HydrophobicContact CG1-CD1 4.26Å; I329-L359 HydrophobicContact CG2-CB 4.44Å; I330-L359 PolarHBondContact N-O 3.19Å; L359-G381 CarbonylContact C-O 3.59Å; L359-G381 WeakPolarHBondContact CA-O 3.33Å; L359-G381 VanDerWaalsContact CD2-CA 3.48Å; L359-V383 HydrophobicContact CB-CG2 4.1Å; L359-V383 HydrophobicContact CD1-CG2 4Å; L359-L396 HydrophobicContact CD1-CD2 4.3Å
360R68.5Low70.3Confident64 Ų6469.8 Ų69.824%0.24234%0.342CS..EExtended strand (participates in β ladder)trans-108.9121.7173.7-169.6166.3-178.2151.5-0.6110.8I330 V362 I379 G381 I382 V383I330-R360 CarbonylContact O-C 3.53Å; I330-R360 WeakPolarHBondContact O-CA 3.3Å; R360-V362 HydrophobicContact CG-CG1 3.99Å; R360-I379 HydrophobicContact CB-CD1 3.87Å; R360-I379 HydrophobicContact CB-CG2 3.77Å; R360-I379 HydrophobicContact CG-CD1 4.25Å; R360-G381 PolarHBondContact N-O 3.39Å; R360-I382 WeakPolarHBondContact O-CA 3.49Å; R360-V383 PolarHBondContact O-N 3.08Å
361E65.9Low70.4Confident69 Ų6971.2 Ų71.232%0.32235%0.345SS..EExtended strand (participates in β ladder)trans-76.1126.4169.4-173.3-175.417900108.9I329 I330 E332 V383I329-E361 HydrophobicContact CG2-CB 4.22Å; I330-E361 PolarHBondContact O-N 2.93Å; E332-E361 PolarHBondContact N-O 3.05Å; E361-V383 CarbonylContact C-O 3.42Å; E361-V383 VanDerWaalsContact CA-O 3.24Å; E361-V383 WeakPolarHBondContact CA-O 3.13Å
362V67.7Low70.9Confident1 Ų173.6 Ų73.61%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-132.4139.6177.4-61.20000111.1E332 R360 H364 L366 I382 V383 Q384E332-V362 HydrophobicContact CG-CG1 4.32Å; E332-V362 VanDerWaalsContact OE1-CA 3.31Å; E332-V362 WeakPolarHBondContact OE1-CA 3.46Å; E332-V362 WeakPolarHBondContact OE1-CB 3.23Å; R360-V362 HydrophobicContact CG-CG1 3.99Å; V362-H364 VanDerWaalsContact C-N 3.29Å; V362-H364 WeakPolarHBondContact CG2-O 3.41Å; V362-L366 HydrophobicContact CG1-CD1 3.96Å; V362-L366 HydrophobicContact CG1-CD2 4.41Å; V362-L366 HydrophobicContact CG1-CG 4.37Å; V362-L366 HydrophobicContact CG2-CD1 4.14Å; V362-L366 HydrophobicContact CG2-CG 4.28Å; V362-I382 HydrophobicContact CG1-CG2 4.48Å; V362-I382 HydrophobicContact CG2-CG2 3.35Å; V362-V383 PolarHBondContact N-O 2.93Å; V362-Q384 HydrophobicContact CG2-CG 3.85Å; V362-Q384 WeakPolarHBondContact O-CA 3.4Å
363D67.9Low71.1Confident115 Ų11571.5 Ų71.562%0.61536%0.362SS*.SBendtrans-88.2-0.3-178.7-73.6-33.1000112.7E332 N385E332-D363 PolarHBondContact OE1-N 3.21Å; D363-N385 PolarHBondContact OD1-ND2 2.77Å
364H71.3Confident71Confident89 Ų8964.5 Ų64.541%0.41233%0.329SS..SBendtrans-142.6160.5-173.965.2-76.3000112.4E332 V362 L366 Q384E332-H364 IonicContact OE1-CE1 3.42Å; E332-H364 PolarHBondContact OE1-CE1 3.28Å; E332-H364 IonicContact OE1-ND1 2.84Å; E332-H364 PolarHBondContact OE1-ND1 3.08Å; V362-H364 VanDerWaalsContact C-N 3.29Å; V362-H364 WeakPolarHBondContact CG2-O 3.41Å; H364-L366 PolarHBondContact O-N 3.37Å; H364-Q384 PolarHBondContact O-NE2 2.94Å
365S71.5Confident71.2Confident99 Ų9967.3 Ų67.369%0.69234%0.34SS*.PPolyproline II helixtrans-69.1121171.9490000111.3
366L68.7Low71.5Confident23 Ų2372.2 Ų72.212%0.1237%0.366CS..PPolyproline II helixtrans-81.9135.3176-65.9167.6000111.1V362 H364 E370 R371 L374 I382V362-L366 HydrophobicContact CG1-CD1 3.96Å; V362-L366 HydrophobicContact CG1-CD2 4.41Å; V362-L366 HydrophobicContact CG1-CG 4.37Å; V362-L366 HydrophobicContact CG2-CD1 4.14Å; V362-L366 HydrophobicContact CG2-CG 4.28Å; H364-L366 PolarHBondContact O-N 3.37Å; L366-E370 HydrophobicContact CB-CB 4.14Å; L366-E370 HydrophobicContact CD2-CB 3.88Å; L366-R371 HydrophobicContact CB-CG 3.84Å; L366-R371 HydrophobicContact CD1-CG 4.44Å; L366-L374 HydrophobicContact CD1-CD1 3.5Å; L366-L374 VanDerWaalsContact CD1-CD1 3.5Å; L366-I382 HydrophobicContact CD1-CD1 3.5Å; L366-I382 HydrophobicContact CD1-CG1 3.89Å; L366-I382 HydrophobicContact CD1-CG2 4.02Å
367S76.8Confident71.7Confident57 Ų5775.3 Ų75.340%0.39938%0.381SS..PPolyproline II helixtrans-64.5157.516767.60000111.5K369 E370 R371S367-K369 PolarHBondContact O-N 2.86Å; S367-K369 VanDerWaalsContact O-N 3.17Å; S367-E370 VanDerWaalsContact CB-OE2 3.27Å; S367-E370 WeakPolarHBondContact CB-OE2 3.44Å; S367-E370 PolarHBondContact N-OE2 3.25Å; S367-E370 PolarHBondContact O-N 2.71Å; S367-E370 VanDerWaalsContact OG-CD 3.26Å; S367-E370 WeakPolarHBondContact OG-CG 3.36Å; S367-E370 PolarHBondContact OG-N 2.96Å; S367-E370 PolarHBondContact OG-OE2 3.11Å; S367-R371 PolarHBondContact O-N 3.38Å
368E78.9Confident71.8Confident177 Ų17775.1 Ų75.183%0.82738%0.381SS*.Hα-helixtrans-57.4-32177.8-162.9173.3-16500112.4S372E368-S372 WeakPolarHBondContact O-CB 2.96Å; E368-S372 PolarHBondContact O-N 3.47Å; E368-S372 PolarHBondContact O-OG 2.94Å
369K77.6Confident72Confident175 Ų17575.6 Ų75.676%0.76138%0.383SS*.Hα-helixtrans-68.6-37.8174-170.5-179177.6-173.20112.5S367 S372 L373S367-K369 PolarHBondContact O-N 2.86Å; S367-K369 VanDerWaalsContact O-N 3.17Å; K369-S372 WeakPolarHBondContact CA-OG 3.12Å; K369-S372 PolarHBondContact O-OG 2.88Å; K369-L373 PolarHBondContact O-N 2.66Å
370E74Confident72.2Confident82 Ų8279.1 Ų79.138%0.38340%0.402SS..Hα-helixtrans-72.1-43.3176.9-72.3158.9144.200110.8L366 S367 S372 L373 L374L366-E370 HydrophobicContact CB-CB 4.14Å; L366-E370 HydrophobicContact CD2-CB 3.88Å; S367-E370 VanDerWaalsContact CB-OE2 3.27Å; S367-E370 WeakPolarHBondContact CB-OE2 3.44Å; S367-E370 PolarHBondContact N-OE2 3.25Å; S367-E370 PolarHBondContact O-N 2.71Å; S367-E370 VanDerWaalsContact OG-CD 3.26Å; S367-E370 WeakPolarHBondContact OG-CG 3.36Å; S367-E370 PolarHBondContact OG-N 2.96Å; S367-E370 PolarHBondContact OG-OE2 3.11Å; E370-S372 PolarHBondContact O-N 2.61Å; E370-L373 WeakPolarHBondContact O-CB 3.46Å; E370-L373 PolarHBondContact O-N 2.67Å; E370-L373 VanDerWaalsContact O-N 3.12Å; E370-L374 WeakPolarHBondContact O-CG 3.35Å; E370-L374 PolarHBondContact O-N 3.18Å
371R72.8Confident72.3Confident114 Ų11476.8 Ų76.843%0.4340%0.398SS..Hα-helixtrans-56.8-48.5175.5-66.6-170.1176.5-134.9-3.2112L366 S367 L373 L374 E375 I382L366-R371 HydrophobicContact CB-CG 3.84Å; L366-R371 HydrophobicContact CD1-CG 4.44Å; S367-R371 PolarHBondContact O-N 3.38Å; R371-L373 VanDerWaalsContact C-N 3.28Å; R371-L373 PolarHBondContact O-N 3.47Å; R371-L374 PolarHBondContact O-N 3.2Å; R371-L374 VanDerWaalsContact O-N 3.13Å; R371-E375 PolarHBondContact O-N 2.78Å; R371-I382 HydrophobicContact CB-CD1 4.43Å; R371-I382 HydrophobicContact CG-CD1 3.72Å
372S75.7Confident72.6Confident55 Ų5574.5 Ų74.539%0.38539%0.388SS..Hα-helixtrans-62.3-33.2176.951.10000113.2E368 K369 E370 V376E368-S372 WeakPolarHBondContact O-CB 2.96Å; E368-S372 PolarHBondContact O-N 3.47Å; E368-S372 PolarHBondContact O-OG 2.94Å; K369-S372 WeakPolarHBondContact CA-OG 3.12Å; K369-S372 PolarHBondContact O-OG 2.88Å; E370-S372 PolarHBondContact O-N 2.61Å; S372-V376 VanDerWaalsContact O-CG2 3.26Å; S372-V376 WeakPolarHBondContact O-CG2 3.49Å; S372-V376 PolarHBondContact O-N 3.15Å; S372-V376 VanDerWaalsContact O-N 3.15Å
373L74.4Confident72.5Confident106 Ų10675.3 Ų75.356%0.55539%0.393SS*.Hα-helixtrans-65.8-42.4173.6-163.783.2000111.7K369 E370 R371 V376 Q377K369-L373 PolarHBondContact O-N 2.66Å; E370-L373 WeakPolarHBondContact O-CB 3.46Å; E370-L373 PolarHBondContact O-N 2.67Å; E370-L373 VanDerWaalsContact O-N 3.12Å; R371-L373 VanDerWaalsContact C-N 3.28Å; R371-L373 PolarHBondContact O-N 3.47Å; L373-V376 PolarHBondContact O-N 2.68Å; L373-Q377 WeakPolarHBondContact O-CG 3.32Å; L373-Q377 PolarHBondContact O-N 2.7Å; L373-Q377 VanDerWaalsContact O-N 3.1Å
374L72.4Confident72.5Confident13 Ų1371.3 Ų71.37%0.06837%0.37CS..Hα-helixtrans-66.7-40.1178.7-63.4-179.6000112.1L366 E370 R371 V376 Q377 G378 I379 I382L366-L374 HydrophobicContact CD1-CD1 3.5Å; L366-L374 VanDerWaalsContact CD1-CD1 3.5Å; E370-L374 WeakPolarHBondContact O-CG 3.35Å; E370-L374 PolarHBondContact O-N 3.18Å; R371-L374 PolarHBondContact O-N 3.2Å; R371-L374 VanDerWaalsContact O-N 3.13Å; L374-V376 VanDerWaalsContact C-N 3.32Å; L374-V376 PolarHBondContact O-N 2.9Å; L374-Q377 CarbonylContact O-C 3.58Å; L374-Q377 WeakPolarHBondContact O-CA 3.32Å; L374-Q377 WeakPolarHBondContact O-CB 3.27Å; L374-Q377 PolarHBondContact O-N 2.57Å; L374-G378 PolarHBondContact O-N 2.95Å; L374-I379 HydrophobicContact CB-CB 4.17Å; L374-I379 HydrophobicContact CB-CD1 4.18Å; L374-I379 HydrophobicContact CB-CG1 4.46Å; L374-I379 HydrophobicContact CD2-CD1 3.85Å; L374-I379 HydrophobicContact CG-CD1 4.46Å; L374-I379 WeakPolarHBondContact O-CB 3.38Å; L374-I379 PolarHBondContact O-N 2.85Å; L374-I382 HydrophobicContact CD1-CD1 4.42Å; L374-I382 HydrophobicContact CD1-CG1 4.33Å
375E74.1Confident72Confident132 Ų13272.6 Ų72.662%0.61738%0.38SS*.Hα-helixtrans-61-41.3174.2-74.8176.1-17600111.6R371 Q377 G378R371-E375 PolarHBondContact O-N 2.78Å; E375-Q377 PolarHBondContact O-N 3.44Å; E375-G378 PolarHBondContact O-N 3.26Å
376V76.2Confident71.4Confident122 Ų12272.6 Ų72.674%0.73938%0.38SS*.Hα-helixtrans-63.3-32174.2171.60000111.5S372 L373 L374 G378S372-V376 VanDerWaalsContact O-CG2 3.26Å; S372-V376 WeakPolarHBondContact O-CG2 3.49Å; S372-V376 PolarHBondContact O-N 3.15Å; S372-V376 VanDerWaalsContact O-N 3.15Å; L373-V376 PolarHBondContact O-N 2.68Å; L374-V376 VanDerWaalsContact C-N 3.32Å; L374-V376 PolarHBondContact O-N 2.9Å; V376-G378 PolarHBondContact O-N 3.35Å
377Q68.5Low71.1Confident75 Ų7573 Ų7335%0.3538%0.382SS..THydrogen-bonded Turntrans-76.3-1.8174.2-70178.6-21.400113.9L373 L374 E375L373-Q377 WeakPolarHBondContact O-CG 3.32Å; L373-Q377 PolarHBondContact O-N 2.7Å; L373-Q377 VanDerWaalsContact O-N 3.1Å; L374-Q377 CarbonylContact O-C 3.58Å; L374-Q377 WeakPolarHBondContact O-CA 3.32Å; L374-Q377 WeakPolarHBondContact O-CB 3.27Å; L374-Q377 PolarHBondContact O-N 2.57Å; E375-Q377 PolarHBondContact O-N 3.44Å
378G70.1Confident70Confident4 Ų473.2 Ų73.24%0.04138%0.384CS..THydrogen-bonded Turntrans87.615.4178.100000114.5L374 E375 V376L374-G378 PolarHBondContact O-N 2.95Å; E375-G378 PolarHBondContact O-N 3.26Å; V376-G378 PolarHBondContact O-N 3.35Å
379I72.3Confident68.6Low10 Ų1068.9 Ų68.95%0.05137%0.369CS..  trans-82.2123.4173.4-53.3-169000108.5I358 R360 L374 G381I358-I379 CarbonylContact O-C 3.6Å; I358-I379 VanDerWaalsContact O-CG2 3.31Å; I358-I379 WeakPolarHBondContact O-CG2 3.49Å; R360-I379 HydrophobicContact CB-CD1 3.87Å; R360-I379 HydrophobicContact CB-CG2 3.77Å; R360-I379 HydrophobicContact CG-CD1 4.25Å; L374-I379 HydrophobicContact CB-CB 4.17Å; L374-I379 HydrophobicContact CB-CD1 4.18Å; L374-I379 HydrophobicContact CB-CG1 4.46Å; L374-I379 HydrophobicContact CD2-CD1 3.85Å; L374-I379 HydrophobicContact CG-CD1 4.46Å; L374-I379 WeakPolarHBondContact O-CB 3.38Å; L374-I379 PolarHBondContact O-N 2.85Å; I379-G381 WeakPolarHBondContact CG2-O 3.34Å
380N71.1Confident67.5Low80 Ų8065.8 Ų65.843%0.42836%0.358SS..  trans-86.2-19.9-175.5-63.3100000113.8N357 I358N357-N380 WeakPolarHBondContact CA-OD1 3.29Å; N357-N380 WeakPolarHBondContact OD1-CB 3.43Å; I358-N380 PolarHBondContact N-OD1 3.43Å; I358-N380 PolarHBondContact O-N 3.44Å
381G71.3Confident66.7Low15 Ų1565 Ų6516%0.15536%0.356CS..EExtended strand (participates in β ladder)trans-165.9170.3-17900000113.5I358 L359 R360 I379I358-G381 PolarHBondContact O-N 2.85Å; L359-G381 CarbonylContact C-O 3.59Å; L359-G381 WeakPolarHBondContact CA-O 3.33Å; L359-G381 VanDerWaalsContact CD2-CA 3.48Å; R360-G381 PolarHBondContact N-O 3.39Å; I379-G381 WeakPolarHBondContact CG2-O 3.34Å
382I71.1Confident65.8Low20 Ų2061.9 Ų61.910%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-126.7132-175.9-65.6154.1000107.7R360 V362 L366 R371 L374 Q384 Q395R360-I382 WeakPolarHBondContact O-CA 3.49Å; V362-I382 HydrophobicContact CG1-CG2 4.48Å; V362-I382 HydrophobicContact CG2-CG2 3.35Å; L366-I382 HydrophobicContact CD1-CD1 3.5Å; L366-I382 HydrophobicContact CD1-CG1 3.89Å; L366-I382 HydrophobicContact CD1-CG2 4.02Å; R371-I382 HydrophobicContact CB-CD1 4.43Å; R371-I382 HydrophobicContact CG-CD1 3.72Å; L374-I382 HydrophobicContact CD1-CD1 4.42Å; L374-I382 HydrophobicContact CD1-CG1 4.33Å; I382-Q384 HydrophobicContact CG2-CG 4.2Å; I382-Q395 PolarHBondContact O-NE2 3.4Å; I382-Q395 PolarHBondContact O-OE1 3.03Å
383V66.9Low64.7Low19 Ų1965.5 Ų65.512%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-114.2118.2177171.70000107.8L359 R360 E361 V362 L392L359-V383 HydrophobicContact CB-CG2 4.1Å; L359-V383 HydrophobicContact CD1-CG2 4Å; R360-V383 PolarHBondContact O-N 3.08Å; E361-V383 CarbonylContact C-O 3.42Å; E361-V383 VanDerWaalsContact CA-O 3.24Å; E361-V383 WeakPolarHBondContact CA-O 3.13Å; V362-V383 PolarHBondContact N-O 2.93Å; V383-L392 HydrophobicContact CB-CD2 4.12Å; V383-L392 HydrophobicContact CG1-CD2 3.68Å; V383-L392 HydrophobicContact CG2-CD2 3.75Å
384Q66.8Low64.1Low30 Ų3066.8 Ų66.814%0.1436%0.356CS..EExtended strand (participates in β ladder)trans-103.8144.8172.9-48.6-164.1-43.400110V362 H364 I382 S386 D387V362-Q384 HydrophobicContact CG2-CG 3.85Å; V362-Q384 WeakPolarHBondContact O-CA 3.4Å; H364-Q384 PolarHBondContact O-NE2 2.94Å; I382-Q384 HydrophobicContact CG2-CG 4.2Å; Q384-S386 PolarHBondContact O-N 3.01Å; Q384-D387 PolarHBondContact N-OD2 2.73Å; Q384-D387 WeakPolarHBondContact O-CB 2.91Å; Q384-D387 PolarHBondContact O-N 2.73Å
385N61.3Low63.3Low116 Ų11668.4 Ų68.462%0.6236%0.363SS*.THydrogen-bonded Turntrans-59.5-17.7173-82.6-42.7000113.3D363D363-N385 PolarHBondContact OD1-ND2 2.77Å
386S59.6Low62.3Low99 Ų9964.7 Ų64.769%0.69235%0.347SS*.THydrogen-bonded Turntrans-91.3-6.7174.754.10000115Q384Q384-S386 PolarHBondContact O-N 3.01Å
387D62.3Low61.4Low32 Ų3261.2 Ų61.217%0.17133%0.331CS..  trans-67.8139.4-177.5-70.9-21.6000110.5Q384 L391 L392Q384-D387 PolarHBondContact N-OD2 2.73Å; Q384-D387 WeakPolarHBondContact O-CB 2.91Å; Q384-D387 PolarHBondContact O-N 2.73Å; D387-L391 HydrophobicContact CB-CD2 4.04Å; D387-L392 HydrophobicContact CB-CD2 4.3Å; D387-L392 HydrophobicContact CB-CG 4.2Å
388S52.4Low60.8Low61 Ų6164.4 Ų64.443%0.42735%0.346SS..  trans-67.9152.5173.6740000110.1E390 L391 L392S388-E390 WeakPolarHBondContact CB-OE2 3.42Å; S388-E390 PolarHBondContact O-N 3.42Å; S388-E390 PolarHBondContact OG-OE2 3.48Å; S388-L391 PolarHBondContact O-N 3.47Å; S388-L391 PolarHBondContact OG-N 2.93Å; S388-L392 PolarHBondContact O-N 2.75Å
389V48.8Very low59.8Low87 Ų8764.5 Ų64.553%0.52735%0.346SS..Hα-helixtrans-56.6-34.9175.5177.50000110.4L392 R393V389-L392 PolarHBondContact O-N 3.38Å; V389-R393 HydrophobicContact CG1-CG 4.42Å; V389-R393 WeakPolarHBondContact O-CB 3.27Å; V389-R393 VanDerWaalsContact O-CG 3.23Å; V389-R393 WeakPolarHBondContact O-CG 3.49Å; V389-R393 PolarHBondContact O-N 2.96Å
390E54.8Low58.5Low109 Ų10966.6 Ų66.651%0.50937%0.365SS..Hα-helixtrans-61.5-43.6175.5-65.867.7-146.600112.5S388 R393 E394S388-E390 WeakPolarHBondContact CB-OE2 3.42Å; S388-E390 PolarHBondContact O-N 3.42Å; S388-E390 PolarHBondContact OG-OE2 3.48Å; E390-R393 WeakPolarHBondContact O-CB 3.28Å; E390-R393 PolarHBondContact O-N 2.89Å; E390-R393 IonicContact OE1-NH1 3.97Å; E390-E394 PolarHBondContact O-N 3.22Å
391L58.5Low57.8Low67 Ų6766.8 Ų66.835%0.35137%0.369SS..Hα-helixtrans-65.9-41.3179.1-174.166.3000111.3D387 S388 R393 E394 Q395D387-L391 HydrophobicContact CB-CD2 4.04Å; S388-L391 PolarHBondContact O-N 3.47Å; S388-L391 PolarHBondContact OG-N 2.93Å; L391-R393 VanDerWaalsContact C-N 3.3Å; L391-R393 PolarHBondContact O-N 2.78Å; L391-E394 PolarHBondContact O-N 2.88Å; L391-Q395 WeakPolarHBondContact O-CG 3.4Å; L391-Q395 PolarHBondContact O-N 2.89Å; L391-Q395 VanDerWaalsContact O-N 3.09Å
392L54.3Low56.9Low48 Ų4871.7 Ų71.725%0.25139%0.388SS..Hα-helixtrans-63.5-38174.1-65.7171.8000111.5V383 D387 S388 V389 L396V383-L392 HydrophobicContact CB-CD2 4.12Å; V383-L392 HydrophobicContact CG1-CD2 3.68Å; V383-L392 HydrophobicContact CG2-CD2 3.75Å; D387-L392 HydrophobicContact CB-CD2 4.3Å; D387-L392 HydrophobicContact CB-CG 4.2Å; S388-L392 PolarHBondContact O-N 2.75Å; V389-L392 PolarHBondContact O-N 3.38Å; L392-L396 WeakPolarHBondContact O-CB 3.41Å; L392-L396 WeakPolarHBondContact O-CG 3.1Å; L392-L396 PolarHBondContact O-N 3Å
393R51.6Low55.9Low131 Ų13172.8 Ų72.849%0.49439%0.391SS..Hα-helixtrans-64.3-43.6175.1-74.9176.8174151.1-2112.3V389 E390 L391 L396 A397 I452V389-R393 HydrophobicContact CG1-CG 4.42Å; V389-R393 WeakPolarHBondContact O-CB 3.27Å; V389-R393 VanDerWaalsContact O-CG 3.23Å; V389-R393 WeakPolarHBondContact O-CG 3.49Å; V389-R393 PolarHBondContact O-N 2.96Å; E390-R393 WeakPolarHBondContact O-CB 3.28Å; E390-R393 PolarHBondContact O-N 2.89Å; E390-R393 IonicContact OE1-NH1 3.97Å; L391-R393 VanDerWaalsContact C-N 3.3Å; L391-R393 PolarHBondContact O-N 2.78Å; R393-L396 PolarHBondContact O-N 3.22Å; R393-A397 VanDerWaalsContact O-CB 3.27Å; R393-A397 WeakPolarHBondContact O-CB 3.42Å; R393-A397 PolarHBondContact O-N 3.11Å; R393-I452 HydrophobicContact CB-CD1 4.08Å; R393-I452 HydrophobicContact CG-CD1 3.69Å
394E61.7Low54.8Low133 Ų13379.1 Ų79.162%0.62142%0.419SS*.Hα-helixtrans-61.2-46.2177.2-75.8-178.7171.300111.3E390 L391 L396 A397 E398E390-E394 PolarHBondContact O-N 3.22Å; L391-E394 PolarHBondContact O-N 2.88Å; E394-L396 PolarHBondContact O-N 3.01Å; E394-A397 PolarHBondContact O-N 2.7Å; E394-E398 PolarHBondContact O-N 2.99Å; E394-E398 VanDerWaalsContact O-N 3.1Å
395Q55.7Low53.7Low47 Ų4785.3 Ų85.322%0.2245%0.453CS..Hα-helixtrans-59.1-47.7175.2-71.9-178.7-15.300111.6I382 L391 A397 E398 V399I382-Q395 PolarHBondContact O-NE2 3.4Å; I382-Q395 PolarHBondContact O-OE1 3.03Å; L391-Q395 WeakPolarHBondContact O-CG 3.4Å; L391-Q395 PolarHBondContact O-N 2.89Å; L391-Q395 VanDerWaalsContact O-N 3.09Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-A397 PolarHBondContact O-N 2.94Å; Q395-E398 PolarHBondContact O-N 3.41Å; Q395-V399 WeakPolarHBondContact O-CG2 3.28Å; Q395-V399 PolarHBondContact O-N 2.79Å
396L54.1Low52.8Low53 Ų5385.3 Ų85.328%0.27745%0.448SS..Hα-helixtrans-66.2-34179.3-70.4170.1000112.8I327 L359 L392 R393 E394 V399 A400I327-L396 HydrophobicContact CD1-CD2 3.54Å; I327-L396 HydrophobicContact CG2-CD2 4.34Å; L359-L396 HydrophobicContact CD1-CD2 4.3Å; L392-L396 WeakPolarHBondContact O-CB 3.41Å; L392-L396 WeakPolarHBondContact O-CG 3.1Å; L392-L396 PolarHBondContact O-N 3Å; R393-L396 PolarHBondContact O-N 3.22Å; E394-L396 PolarHBondContact O-N 3.01Å; L396-V399 WeakPolarHBondContact O-CB 3.28Å; L396-V399 PolarHBondContact O-N 2.79Å; L396-A400 PolarHBondContact O-N 2.87Å
397A56.1Low51.5Low50 Ų5085.8 Ų85.841%0.41345%0.451SS..Hα-helixtrans-66.9-42.7177.300000111.7R393 E394 Q395 V399 A400 T401R393-A397 VanDerWaalsContact O-CB 3.27Å; R393-A397 WeakPolarHBondContact O-CB 3.42Å; R393-A397 PolarHBondContact O-N 3.11Å; E394-A397 PolarHBondContact O-N 2.7Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-A397 PolarHBondContact O-N 2.94Å; A397-V399 PolarHBondContact O-N 2.91Å; A397-A400 PolarHBondContact O-N 2.85Å; A397-T401 WeakPolarHBondContact O-CG2 3.39Å; A397-T401 PolarHBondContact O-N 2.8Å; A397-T401 VanDerWaalsContact O-N 3.12Å
398E56Low50.3Low142 Ų14292 Ų9266%0.66448%0.477SS*.Hα-helixtrans-57.2-40.5172.8-78-170.8158.700111.4E394 Q395 T401E394-E398 PolarHBondContact O-N 2.99Å; E394-E398 VanDerWaalsContact O-N 3.1Å; Q395-E398 PolarHBondContact O-N 3.41Å; E398-T401 PolarHBondContact O-OG1 2.76Å
399V50Low49.1Very low6 Ų697.5 Ų97.54%0.03650%0.496CS..Hα-helixtrans-63.6-48.6174.8-176.10000111.7I327 N357 Q395 L396 A397 T401 Q402 Y403I327-V399 HydrophobicContact CD1-CB 4.13Å; I327-V399 HydrophobicContact CD1-CG1 3.8Å; I327-V399 HydrophobicContact CG1-CG1 3.88Å; N357-V399 HydrophobicContact CB-CB 4.32Å; N357-V399 HydrophobicContact CB-CG1 3.35Å; N357-V399 HydrophobicContact CB-CG2 4.02Å; N357-V399 WeakPolarHBondContact ND2-CG1 3.13Å; N357-V399 WeakPolarHBondContact ND2-CG2 3.36Å; N357-V399 WeakPolarHBondContact OD1-CG2 3.39Å; Q395-V399 WeakPolarHBondContact O-CG2 3.28Å; Q395-V399 PolarHBondContact O-N 2.79Å; L396-V399 WeakPolarHBondContact O-CB 3.28Å; L396-V399 PolarHBondContact O-N 2.79Å; A397-V399 PolarHBondContact O-N 2.91Å; V399-T401 PolarHBondContact O-N 2.91Å; V399-Q402 WeakPolarHBondContact O-CB 3.21Å; V399-Q402 PolarHBondContact O-N 2.91Å; V399-Y403 HydrophobicContact CG1-CD2 4.26Å; V399-Y403 HydrophobicContact CG1-CE2 3.86Å; V399-Y403 WeakPolarHBondContact O-CD2 3.25Å
400A45.1Very low48.2Very low54 Ų5499.3 Ų99.345%0.44651%0.51SS..Hα-helixtrans-59.4-35.5-176.400000112.4L396 A397 Q402 Y403 Q404L396-A400 PolarHBondContact O-N 2.87Å; A397-A400 PolarHBondContact O-N 2.85Å; A400-Q402 PolarHBondContact O-N 2.96Å; A400-Y403 PolarHBondContact O-N 2.95Å; A400-Y403 VanDerWaalsContact O-N 3.1Å; A400-Q404 PolarHBondContact O-N 3.2Å
401T54.8Low47.1Very low84 Ų84100.7 Ų100.752%0.51553%0.525SS..Hα-helixtrans-61.5-29.7177.162.30000113.5A397 E398 V399 Y403A397-T401 WeakPolarHBondContact O-CG2 3.39Å; A397-T401 PolarHBondContact O-N 2.8Å; A397-T401 VanDerWaalsContact O-N 3.12Å; E398-T401 PolarHBondContact O-OG1 2.76Å; V399-T401 PolarHBondContact O-N 2.91Å; T401-Y403 PolarHBondContact O-N 2.93Å
402Q52.8Low45.7Very low118 Ų118103.8 Ų103.855%0.55155%0.547SS*.Hα-helixtrans-71.5-17.2178-62-178.1-2.100113.3V399 A400V399-Q402 WeakPolarHBondContact O-CB 3.21Å; V399-Q402 PolarHBondContact O-N 2.91Å; A400-Q402 PolarHBondContact O-N 2.96Å
403Y50.8Low44.6Very low43 Ų43107.5 Ų107.517%0.16957%0.571CS.*Hα-helixtrans-103.3-10.7-179-70.8-84.1000114P326 G355 Q356 V399 A400 T401 N405 K406P326-Y403 HydrophobicContact CB-CE1 4.18Å; P326-Y403 HydrophobicContact CB-CE2 4.23Å; P326-Y403 PolarHBondContact O-OH 3.42Å; P326-Y403 VanDerWaalsContact O-OH 3.05Å; G355-Y403 VanDerWaalsContact C-OH 3.3Å; G355-Y403 PolarHBondContact O-OH 2.84Å; Q356-Y403 WeakPolarHBondContact CA-OH 3.39Å; V399-Y403 HydrophobicContact CG1-CD2 4.26Å; V399-Y403 HydrophobicContact CG1-CE2 3.86Å; V399-Y403 WeakPolarHBondContact O-CD2 3.25Å; A400-Y403 PolarHBondContact O-N 2.95Å; A400-Y403 VanDerWaalsContact O-N 3.1Å; T401-Y403 PolarHBondContact O-N 2.93Å; Y403-N405 PolarHBondContact O-N 3.05Å; Y403-K406 HydrophobicContact CD1-CD 4.37Å; Y403-K406 PolarHBondContact O-N 2.78Å
404Q43.1Very low43.6Very low152 Ų152109.8 Ų109.871%0.7159%0.587SS**THydrogen-bonded Turntrans-58.9-18.8-179.8-81.4-176.1-18.800114.1A400A400-Q404 PolarHBondContact O-N 3.2Å
405N44Very low42Very low160 Ų160112.4 Ų112.486%0.85660%0.597SS**THydrogen-bonded Turntrans-119.113.2-178.4-69.8-33.8000114.7Y403Y403-N405 PolarHBondContact O-N 3.05Å
406K42.3Very low40.7Very low115 Ų115121.9 Ų121.950%0.563%0.631SS.*  trans-103.3112.7178-75.1-174.2177.5179.40111.1Y403Y403-K406 HydrophobicContact CD1-CD 4.37Å; Y403-K406 PolarHBondContact O-N 2.78Å
407S33.3Very low39.5Very low109 Ų109128.3 Ų128.376%0.76266%0.659SS**  trans-82.6129.7164.1570000109.8
408F35.6Very low38.2Very low162 Ų162134.4 Ų134.471%0.71168%0.679SS**  trans-92112.9169.7-72.8-94.1000108.6
409E28.5Very low37Very low178 Ų178134.9 Ų134.983%0.83269%0.691SS**  trans-81128.8170.1-76.1-164.9169.200110.2
410P29.1Very low36Very low125 Ų125139.9 Ų139.981%0.81272%0.722SS**  trans-75.2132.1172.728.8-29.7000110.8V412P410-V412 PolarHBondContact O-N 3.04Å
411V31.7Very low35.4Very low138 Ų138145.5 Ų145.584%0.83674%0.739SS**  trans-78.1103.2178.8178.90000110.7
412V29.1Very low34.4Very low132 Ų132150 Ų15080%0.875%0.754SS**  trans60.4129.9145.1-171.70000120.6P410P410-V412 PolarHBondContact O-N 3.04Å
413T30.6Very low33.3Very low125 Ų125151.8 Ų151.877%0.76777%0.767SS**  trans-84.4154.8-176.4240000115.7
414E30.9Very low32.3Very low179 Ų179157.9 Ų157.984%0.83680%0.802SS**  trans-133.7108.4142.1-83.2-156.914200112.8
415K27.4Very low31.9Very low189 Ų189157.8 Ų157.882%0.82281%0.806SS**  trans51.9106.5144.5-66.3176.8179.81670121
416R28.8Very low31.4Very low246 Ų246157.5 Ų157.593%0.92880%0.804SS**  -146.4152.1127-121.6175.8-174.1-1742.3111.6
417Q30.2Very low31.3Very low187 Ų187154.8 Ų154.887%0.87480%0.799SS**  trans-67157.1-150.7-74.4161.4-59.800117.8
418E28.2Very low31.5Very low179 Ų179153.2 Ų153.284%0.83679%0.793SS**  trans-55.4135.8-177-62.4162.8153.200115.6
419V29.8Very low31.6Very low151 Ų151152.5 Ų152.592%0.91579%0.794SS**  trans-130.9132.9141.6-178.90000106.6
420V29.4Very low32.1Very low111 Ų111147.5 Ų147.567%0.67378%0.776SS**  trans-99.1163-164.2170.10000111.1
421E32.9Very low32.7Very low172 Ų172146.2 Ų146.280%0.80476%0.761SS**  trans82.1138.9171.4-83161.4-159.600116.7
422E33.5Very low33.3Very low180 Ų180145 Ų14584%0.84175%0.754SS**  cis-174.6154-29.4-121-178.1179.600103.5
423D29.8Very low34Very low154 Ų154145.6 Ų145.682%0.82475%0.753SS**  trans-28.6137.6-177.6-79.1-40.3000117.3
424L29.8Very low34.6Very low171 Ų171142.1 Ų142.190%0.89573%0.729SS**  trans-173.6137.1135.2-96.7144.2000111.9
425D34.6Very low35.9Very low150 Ų150136.1 Ų136.180%0.80271%0.707SS**  trans-16.7136169.8-91.5-38.4000116.6S427D425-S427 VanDerWaalsContact C-N 3.29Å; D425-S427 PolarHBondContact O-N 2.95Å
426L34Very low37.2Very low154 Ų154131.7 Ų131.781%0.80670%0.7SS**  trans-5589.7170.9-99.1134.3000110.7T430L426-T430 HydrophobicContact CD2-CG2 3.72Å
427S39.4Very low38.2Very low58 Ų58125.2 Ų125.241%0.40668%0.683SS.*  trans-74.5160.9178.975.40000111.2D425 M429 T430D425-S427 VanDerWaalsContact C-N 3.29Å; D425-S427 PolarHBondContact O-N 2.95Å; S427-M429 PolarHBondContact O-N 3.08Å; S427-T430 PolarHBondContact O-N 2.97Å; S427-T430 PolarHBondContact O-OG1 2.78Å
428A39.1Very low39.2Very low77 Ų77120.8 Ų120.864%0.63666%0.662SS**THydrogen-bonded Turntrans-51.5-12.9176.800000115V432A428-V432 WeakPolarHBondContact O-CG2 3.41Å
429M35.9Very low40.8Very low146 Ų146115.3 Ų115.372%0.71964%0.639SS**THydrogen-bonded Turntrans-69.5-27.1173.3-86-173-79.500114.2S427 L431 V432S427-M429 PolarHBondContact O-N 3.08Å; M429-L431 VanDerWaalsContact C-N 3.33Å; M429-L431 PolarHBondContact O-N 2.96Å; M429-V432 PolarHBondContact O-N 2.75Å
430T40.5Very low42.1Very low74 Ų74114 Ų11445%0.45462%0.623SS.*G310 helixtrans-74.9-25.7-179.2-39.90000112.3L426 S427 V432L426-T430 HydrophobicContact CD2-CG2 3.72Å; S427-T430 PolarHBondContact O-N 2.97Å; S427-T430 PolarHBondContact O-OG1 2.78Å; T430-V432 VanDerWaalsContact C-N 3.27Å; T430-V432 PolarHBondContact O-N 2.9Å
431L40.8Very low43Very low97 Ų97112.7 Ų112.751%0.50861%0.611SS.*G310 helixtrans-70.4-21.9173-72.3166000112.9M429 N433 L434 L442M429-L431 VanDerWaalsContact C-N 3.33Å; M429-L431 PolarHBondContact O-N 2.96Å; L431-N433 VanDerWaalsContact C-N 3.33Å; L431-L434 HydrophobicContact CD2-CD1 4.06Å; L431-L442 HydrophobicContact CD2-CD2 4.28Å
432V44.6Very low44Very low113 Ų113108.1 Ų108.169%0.68559%0.592SS**G310 helixtrans-79.2-17.9-174.8-178.10000112.4A428 M429 T430A428-V432 WeakPolarHBondContact O-CG2 3.41Å; M429-V432 PolarHBondContact O-N 2.75Å; T430-V432 VanDerWaalsContact C-N 3.27Å; T430-V432 PolarHBondContact O-N 2.9Å
433N44.2Very low45.3Very low145 Ų145105.9 Ų105.978%0.77558%0.581SS**G310 helixtrans-97.10.4179.9-74.8-19.1000114.2L431L431-N433 VanDerWaalsContact C-N 3.33Å
434L42.2Very low46.4Very low51 Ų51104.4 Ų104.427%0.26757%0.567SS.*  trans-77.1131.2176.2-64.4173.8000109.8L431 E438 L439L431-L434 HydrophobicContact CD2-CD1 4.06Å; L434-E438 HydrophobicContact CB-CB 4.05Å; L434-E438 HydrophobicContact CD2-CB 3.95Å; L434-L439 HydrophobicContact CB-CD1 4.33Å; L434-L439 HydrophobicContact CB-CD2 4.35Å; L434-L439 HydrophobicContact CB-CG 3.8Å; L434-L439 HydrophobicContact CD1-CD2 4.03Å; L434-L439 HydrophobicContact CD1-CG 4.29Å
435S59.7Low47.2Very low54 Ų54101.7 Ų101.738%0.37855%0.553SS.*  trans-59.6159.7165.966.30000110.8L437 E438 L439S435-L437 PolarHBondContact O-N 2.95Å; S435-E438 VanDerWaalsContact CB-OE2 3.28Å; S435-E438 WeakPolarHBondContact CB-OE2 3.14Å; S435-E438 PolarHBondContact N-OE2 3.37Å; S435-E438 PolarHBondContact O-N 2.7Å; S435-E438 VanDerWaalsContact O-N 3.09Å; S435-E438 VanDerWaalsContact OG-CD 3.3Å; S435-E438 VanDerWaalsContact OG-CG 3.28Å; S435-E438 WeakPolarHBondContact OG-CG 3.45Å; S435-E438 PolarHBondContact OG-N 3.26Å; S435-E438 PolarHBondContact OG-OE2 3.35Å; S435-L439 PolarHBondContact O-N 3.21Å
436S54.7Low48Very low96 Ų96104.6 Ų104.667%0.67155%0.553SS**Hα-helixtrans-55.8-34.4176.337.70000112.8Q440S436-Q440 WeakPolarHBondContact O-CB 3.26Å; S436-Q440 VanDerWaalsContact O-CG 3.32Å; S436-Q440 WeakPolarHBondContact O-CG 3.15Å; S436-Q440 PolarHBondContact O-N 3.05Å; S436-Q440 VanDerWaalsContact O-N 3.08Å
437L48.9Very low48.8Very low110 Ų110100.9 Ų100.958%0.57654%0.54SS*.Hα-helixtrans-68.7-43176.4-17171.4000111.8S435 Q440 L441S435-L437 PolarHBondContact O-N 2.95Å; L437-Q440 PolarHBondContact O-N 2.94Å; L437-L441 HydrophobicContact CG-CD1 4.28Å; L437-L441 WeakPolarHBondContact O-CB 3.31Å; L437-L441 PolarHBondContact O-N 2.66Å
438E52Low49Very low93 Ų93102.7 Ų102.744%0.43555%0.545SS..Hα-helixtrans-66.6-38.8178.5-71.1164.1130.100111.7L434 S435 L441 L442L434-E438 HydrophobicContact CB-CB 4.05Å; L434-E438 HydrophobicContact CD2-CB 3.95Å; S435-E438 VanDerWaalsContact CB-OE2 3.28Å; S435-E438 WeakPolarHBondContact CB-OE2 3.14Å; S435-E438 PolarHBondContact N-OE2 3.37Å; S435-E438 PolarHBondContact O-N 2.7Å; S435-E438 VanDerWaalsContact O-N 3.09Å; S435-E438 VanDerWaalsContact OG-CD 3.3Å; S435-E438 VanDerWaalsContact OG-CG 3.28Å; S435-E438 WeakPolarHBondContact OG-CG 3.45Å; S435-E438 PolarHBondContact OG-N 3.26Å; S435-E438 PolarHBondContact OG-OE2 3.35Å; E438-L441 PolarHBondContact O-N 3.1Å; E438-L442 VanDerWaalsContact O-CB 3.28Å; E438-L442 WeakPolarHBondContact O-CB 3.27Å; E438-L442 PolarHBondContact O-N 3.22Å
439L61.6Low48.9Very low65 Ų65104.9 Ų104.934%0.3455%0.553SS.*Hα-helixtrans-62.5-44.7172.9-80.9161.6000111.8L434 S435 L442 E443L434-L439 HydrophobicContact CB-CD1 4.33Å; L434-L439 HydrophobicContact CB-CD2 4.35Å; L434-L439 HydrophobicContact CB-CG 3.8Å; L434-L439 HydrophobicContact CD1-CD2 4.03Å; L434-L439 HydrophobicContact CD1-CG 4.29Å; S435-L439 PolarHBondContact O-N 3.21Å; L439-L442 PolarHBondContact O-N 2.69Å; L439-E443 WeakPolarHBondContact O-CB 3.43Å; L439-E443 WeakPolarHBondContact O-CG 3.47Å; L439-E443 PolarHBondContact O-N 2.94Å
440Q57.6Low49Very low124 Ų124101.2 Ų101.258%0.57955%0.552SS**Hα-helixtrans-63.9-40177-77.8178.2-1800112.6S436 L437 E443 K444S436-Q440 WeakPolarHBondContact O-CB 3.26Å; S436-Q440 VanDerWaalsContact O-CG 3.32Å; S436-Q440 WeakPolarHBondContact O-CG 3.15Å; S436-Q440 PolarHBondContact O-N 3.05Å; S436-Q440 VanDerWaalsContact O-N 3.08Å; L437-Q440 PolarHBondContact O-N 2.94Å; Q440-E443 PolarHBondContact O-N 3.45Å; Q440-K444 WeakPolarHBondContact O-CB 3.39Å; Q440-K444 PolarHBondContact O-N 2.67Å
441L47.9Very low49Very low83 Ų83103.2 Ų103.244%0.43556%0.557SS.*Hα-helixtrans-66.4-42.4174.4-98.7153000111.9L437 E438 E443 K444 L445L437-L441 HydrophobicContact CG-CD1 4.28Å; L437-L441 WeakPolarHBondContact O-CB 3.31Å; L437-L441 PolarHBondContact O-N 2.66Å; E438-L441 PolarHBondContact O-N 3.1Å; L441-E443 VanDerWaalsContact C-N 3.32Å; L441-E443 PolarHBondContact O-N 3.44Å; L441-K444 PolarHBondContact O-N 3.36Å; L441-L445 WeakPolarHBondContact O-CB 3.45Å; L441-L445 VanDerWaalsContact O-CG 3.26Å; L441-L445 WeakPolarHBondContact O-CG 3.22Å; L441-L445 PolarHBondContact O-N 3.08Å
442L53.7Low48.9Very low76 Ų76103.1 Ų103.140%0.39856%0.556SS.*Hα-helixtrans-63.7-39.3176.7-156.196.4000111.2L431 E438 L439 R446L431-L442 HydrophobicContact CD2-CD2 4.28Å; E438-L442 VanDerWaalsContact O-CB 3.28Å; E438-L442 WeakPolarHBondContact O-CB 3.27Å; E438-L442 PolarHBondContact O-N 3.22Å; L439-L442 PolarHBondContact O-N 2.69Å; L442-R446 VanDerWaalsContact O-CB 3.32Å; L442-R446 WeakPolarHBondContact O-CB 3.36Å; L442-R446 WeakPolarHBondContact O-CG 3.44Å; L442-R446 PolarHBondContact O-N 2.96Å
443E60.2Low48.7Very low132 Ų132100.8 Ų100.862%0.61754%0.538SS*.Hα-helixtrans-67.9-40.6173.8-77.5-176.3161.100112.3L439 Q440 L441 R446 S447L439-E443 WeakPolarHBondContact O-CB 3.43Å; L439-E443 WeakPolarHBondContact O-CG 3.47Å; L439-E443 PolarHBondContact O-N 2.94Å; Q440-E443 PolarHBondContact O-N 3.45Å; L441-E443 VanDerWaalsContact C-N 3.32Å; L441-E443 PolarHBondContact O-N 3.44Å; E443-R446 PolarHBondContact O-N 2.79Å; E443-S447 VanDerWaalsContact O-CB 3.3Å; E443-S447 WeakPolarHBondContact O-CB 3.48Å; E443-S447 PolarHBondContact O-N 3.43Å; E443-S447 PolarHBondContact O-OG 2.99Å
444K53.7Low48.4Very low123 Ų12396.8 Ų96.854%0.53552%0.522SS..Hα-helixtrans-62.8-46.5173.2-89.9-169.3172-168.80112.3Q440 L441 R446 S447 N448Q440-K444 WeakPolarHBondContact O-CB 3.39Å; Q440-K444 PolarHBondContact O-N 2.67Å; L441-K444 PolarHBondContact O-N 3.36Å; K444-R446 PolarHBondContact O-N 2.64Å; K444-S447 WeakPolarHBondContact CA-OG 3.29Å; K444-S447 PolarHBondContact O-N 2.64Å; K444-S447 PolarHBondContact O-OG 3.24Å; K444-S447 VanDerWaalsContact O-OG 3.12Å; K444-N448 PolarHBondContact O-N 3.16Å
445L46Very low48.1Very low114 Ų114103.2 Ų103.260%0.59754%0.543SS*.Hα-helixtrans-66.9-34.5178.5-70.6170.5000112.4L441L441-L445 WeakPolarHBondContact O-CB 3.45Å; L441-L445 VanDerWaalsContact O-CG 3.26Å; L441-L445 WeakPolarHBondContact O-CG 3.22Å; L441-L445 PolarHBondContact O-N 3.08Å
446R51.2Low47.3Very low212 Ų212103.6 Ų103.680%0.854%0.541SS*.Hα-helixtrans-71.5-32.2173.2-84.8-176.868.6-170.60.6113.1L442 E443 K444L442-R446 VanDerWaalsContact O-CB 3.32Å; L442-R446 WeakPolarHBondContact O-CB 3.36Å; L442-R446 WeakPolarHBondContact O-CG 3.44Å; L442-R446 PolarHBondContact O-N 2.96Å; E443-R446 PolarHBondContact O-N 2.79Å; K444-R446 PolarHBondContact O-N 2.64Å
447S50Low46.8Very low75 Ų75104 Ų10452%0.52453%0.532SS..Hα-helixtrans-87.2-27.3-176.353.20000113.5E443 K444E443-S447 VanDerWaalsContact O-CB 3.3Å; E443-S447 WeakPolarHBondContact O-CB 3.48Å; E443-S447 PolarHBondContact O-N 3.43Å; E443-S447 PolarHBondContact O-OG 2.99Å; K444-S447 WeakPolarHBondContact CA-OG 3.29Å; K444-S447 PolarHBondContact O-N 2.64Å; K444-S447 PolarHBondContact O-OG 3.24Å; K444-S447 VanDerWaalsContact O-OG 3.12Å
448N44.7Very low46.4Very low97 Ų97102.4 Ų102.452%0.51952%0.524SS..  trans-130.975.6-178.9-71.3-33.6000112.6K444 G450K444-N448 PolarHBondContact O-N 3.16Å; N448-G450 PolarHBondContact O-N 3.38Å
449P36Very low45.9Very low122 Ų122100.1 Ų100.179%0.79251%0.514SS*.THydrogen-bonded Turntrans-67.391.6170.527.4-31.4000109.8
450G38Very low45.3Very low69 Ų69103.6 Ų103.671%0.71153%0.527SS*.THydrogen-bonded Turntrans148.111.3178.300000117.6N448 I452N448-G450 PolarHBondContact O-N 3.38Å; G450-I452 PolarHBondContact O-N 2.96Å; G450-I452 VanDerWaalsContact O-N 3.16Å
451E40.6Very low44.7Very low117 Ų117100.3 Ų100.355%0.54751%0.513SS..  trans-67.6112.5179.2-151.7167.4-153.800110.6I453E451-I453 PolarHBondContact O-N 3.49Å
452I38.8Very low44.5Very low95 Ų9598.4 Ų98.449%0.48750%0.503SS..  trans-75.1108.7174.4-67.8166.9000107.6R393 G450R393-I452 HydrophobicContact CB-CD1 4.08Å; R393-I452 HydrophobicContact CG-CD1 3.69Å; G450-I452 PolarHBondContact O-N 2.96Å; G450-I452 VanDerWaalsContact O-N 3.16Å
453I40.2Very low44.2Very low63 Ų6397.8 Ų97.832%0.32350%0.497SS..  trans-75.4128.9177.2-54.1164.1000108E451 E457 L458E451-I453 PolarHBondContact O-N 3.49Å; I453-E457 HydrophobicContact CG2-CB 3.34Å; I453-E457 HydrophobicContact CG2-CG 3.45Å; I453-E457 VanDerWaalsContact CG2-CG 3.45Å; I453-E457 WeakPolarHBondContact CG2-O 3.36Å; I453-L458 HydrophobicContact CB-CB 4.4Å; I453-L458 HydrophobicContact CD1-CD1 4.47Å; I453-L458 HydrophobicContact CG2-CB 4.09Å
454S39.2Very low43.7Very low62 Ų6295.6 Ų95.643%0.43449%0.489SS..  trans-56158.5175.671.20000111.1D456 E457 L458S454-D456 PolarHBondContact O-N 3.48Å; S454-D456 VanDerWaalsContact O-N 3.13Å; S454-E457 CarbonylContact O-C 3.59Å; S454-E457 PolarHBondContact O-N 3.4Å; S454-E457 WeakPolarHBondContact OG-CB 3.24Å; S454-E457 PolarHBondContact OG-N 3.06Å; S454-E457 VanDerWaalsContact OG-N 3.1Å; S454-L458 VanDerWaalsContact O-CB 3.32Å; S454-L458 WeakPolarHBondContact O-CB 3.24Å; S454-L458 PolarHBondContact O-N 2.9Å
455R36.6Very low43.2Very low185 Ų18596.7 Ų96.770%0.69849%0.494SS*.Hα-helixtrans-50.1-44.7177.4-172.6-165.473.1-168.2-3.4110.9L458 L459R455-L458 PolarHBondContact O-N 3.12Å; R455-L459 HydrophobicContact CG-CD1 3.96Å; R455-L459 HydrophobicContact CG-CG 4.43Å; R455-L459 VanDerWaalsContact O-CB 3.32Å; R455-L459 WeakPolarHBondContact O-CB 3.38Å; R455-L459 WeakPolarHBondContact O-CD1 3.26Å; R455-L459 WeakPolarHBondContact O-CG 3.36Å; R455-L459 PolarHBondContact O-N 3.15Å
456D42.8Very low43.1Very low63 Ų6392.8 Ų92.834%0.33747%0.473SS..Hα-helixtrans-72.1-34.5-176.1-60.4-24.6000111.3H152 S454 K460H152-D456 IonicContact CD2-OD2 2.89Å; S454-D456 PolarHBondContact O-N 3.48Å; S454-D456 VanDerWaalsContact O-N 3.13Å; D456-K460 WeakPolarHBondContact O-CB 3.26Å; D456-K460 PolarHBondContact O-N 3.27Å
457E43.4Very low42.9Very low103 Ų10386.4 Ų86.448%0.48145%0.452SS..Hα-helixtrans-77.2-27.8175.1-164.6176.3-171.700112.4I453 S454 K460 N461I453-E457 HydrophobicContact CG2-CB 3.34Å; I453-E457 HydrophobicContact CG2-CG 3.45Å; I453-E457 VanDerWaalsContact CG2-CG 3.45Å; I453-E457 WeakPolarHBondContact CG2-O 3.36Å; S454-E457 CarbonylContact O-C 3.59Å; S454-E457 PolarHBondContact O-N 3.4Å; S454-E457 WeakPolarHBondContact OG-CB 3.24Å; S454-E457 PolarHBondContact OG-N 3.06Å; S454-E457 VanDerWaalsContact OG-N 3.1Å; E457-K460 WeakPolarHBondContact O-CB 3.44Å; E457-K460 PolarHBondContact O-N 2.92Å; E457-N461 VanDerWaalsContact O-CB 3.28Å; E457-N461 WeakPolarHBondContact O-CB 3.38Å; E457-N461 PolarHBondContact O-N 3.42Å; E457-N461 PolarHBondContact O-ND2 2.91Å
458L39.3Very low43.1Very low78 Ų7888.7 Ų88.741%0.40846%0.458SS..Hα-helixtrans-70.6-44172.8-178.174000108.5I453 S454 R455 K460 N461 I462I453-L458 HydrophobicContact CB-CB 4.4Å; I453-L458 HydrophobicContact CD1-CD1 4.47Å; I453-L458 HydrophobicContact CG2-CB 4.09Å; S454-L458 VanDerWaalsContact O-CB 3.32Å; S454-L458 WeakPolarHBondContact O-CB 3.24Å; S454-L458 PolarHBondContact O-N 2.9Å; R455-L458 PolarHBondContact O-N 3.12Å; L458-K460 VanDerWaalsContact C-N 3.31Å; L458-K460 PolarHBondContact O-N 3.42Å; L458-N461 PolarHBondContact O-N 3.3Å; L458-I462 HydrophobicContact CD1-CD1 4.39Å; L458-I462 HydrophobicContact CD2-CD1 4.37Å; L458-I462 HydrophobicContact CG-CD1 3.87Å; L458-I462 HydrophobicContact CG-CG1 4.47Å; L458-I462 WeakPolarHBondContact O-CB 3.35Å; L458-I462 WeakPolarHBondContact O-CG1 3.49Å; L458-I462 PolarHBondContact O-N 3.11Å
459L43.5Very low43Very low45 Ų4590.5 Ų90.524%0.23647%0.465CS..Hα-helixtrans-59.5-42.3171.4-72168.4000111.1R455 K463 W480R455-L459 HydrophobicContact CG-CD1 3.96Å; R455-L459 HydrophobicContact CG-CG 4.43Å; R455-L459 VanDerWaalsContact O-CB 3.32Å; R455-L459 WeakPolarHBondContact O-CB 3.38Å; R455-L459 WeakPolarHBondContact O-CD1 3.26Å; R455-L459 WeakPolarHBondContact O-CG 3.36Å; R455-L459 PolarHBondContact O-N 3.15Å; L459-K463 WeakPolarHBondContact O-CB 3.27Å; L459-K463 PolarHBondContact O-N 3.17Å; L459-W480 HydrophobicContact CD2-CG 4.13Å; L459-W480 VanDerWaalsContact CD2-NE1 3.27Å
460K49Very low43.7Very low138 Ų13893.3 Ų93.360%0.647%0.467SS*.Hα-helixtrans-62.9-44.2175.7-157.6177.2-176.8-1760111.4D456 E457 L458 K463 L464D456-K460 WeakPolarHBondContact O-CB 3.26Å; D456-K460 PolarHBondContact O-N 3.27Å; E457-K460 WeakPolarHBondContact O-CB 3.44Å; E457-K460 PolarHBondContact O-N 2.92Å; L458-K460 VanDerWaalsContact C-N 3.31Å; L458-K460 PolarHBondContact O-N 3.42Å; K460-K463 PolarHBondContact O-N 3.02Å; K460-L464 VanDerWaalsContact O-CB 3.3Å; K460-L464 WeakPolarHBondContact O-CB 3.21Å; K460-L464 PolarHBondContact O-N 2.83Å
461N44.5Very low43.8Very low55 Ų5592 Ų9229%0.29445%0.445SS..Hα-helixtrans-72.2-35.4179.6-72.9-24.5000113.2E457 L458 K465E457-N461 VanDerWaalsContact O-CB 3.28Å; E457-N461 WeakPolarHBondContact O-CB 3.38Å; E457-N461 PolarHBondContact O-N 3.42Å; E457-N461 PolarHBondContact O-ND2 2.91Å; L458-N461 PolarHBondContact O-N 3.3Å; N461-K465 WeakPolarHBondContact O-CB 3.49Å; N461-K465 WeakPolarHBondContact O-CG 3.48Å; N461-K465 PolarHBondContact O-N 3.07Å
462I42.1Very low44.2Very low43 Ų4390.8 Ų90.822%0.22144%0.442CS..Hα-helixtrans-66.9-47.2172.9-70.9166.9000109.6L458 L464 K465 L466 W480L458-I462 HydrophobicContact CD1-CD1 4.39Å; L458-I462 HydrophobicContact CD2-CD1 4.37Å; L458-I462 HydrophobicContact CG-CD1 3.87Å; L458-I462 HydrophobicContact CG-CG1 4.47Å; L458-I462 WeakPolarHBondContact O-CB 3.35Å; L458-I462 WeakPolarHBondContact O-CG1 3.49Å; L458-I462 PolarHBondContact O-N 3.11Å; I462-L464 PolarHBondContact O-N 3.29Å; I462-K465 PolarHBondContact O-N 2.91Å; I462-L466 HydrophobicContact CG2-CD1 3.66Å; I462-L466 HydrophobicContact CG2-CG 4.43Å; I462-L466 WeakPolarHBondContact O-CD1 3.23Å; I462-L466 VanDerWaalsContact O-CG 3.23Å; I462-L466 WeakPolarHBondContact O-CG 3.4Å; I462-L466 PolarHBondContact O-N 3.44Å; I462-W480 HydrophobicContact CB-CZ2 4.47Å; I462-W480 HydrophobicContact CG2-CH2 3.6Å; I462-W480 HydrophobicContact CG2-CZ2 3.29Å; I462-W480 HydrophobicContact CG2-CZ3 4.4Å
463K47.8Very low44.6Very low62 Ų6289 Ų8927%0.2743%0.432SS..Hα-helixtrans-57.8-48.3175.3-177.6179.2177.3-178.10111.3L459 K460 K465 L466 E467 I476L459-K463 WeakPolarHBondContact O-CB 3.27Å; L459-K463 PolarHBondContact O-N 3.17Å; K460-K463 PolarHBondContact O-N 3.02Å; K463-K465 PolarHBondContact O-N 3.32Å; K463-L466 PolarHBondContact O-N 3.42Å; K463-L466 VanDerWaalsContact O-N 3.14Å; K463-E467 WeakPolarHBondContact CE-OE1 3.38Å; K463-E467 HydrophobicContact CG-CG 4.48Å; K463-E467 WeakPolarHBondContact CG-OE1 3.42Å; K463-E467 WeakPolarHBondContact O-CB 3.42Å; K463-E467 WeakPolarHBondContact O-CG 3.23Å; K463-E467 PolarHBondContact O-N 2.9Å; K463-I476 HydrophobicContact CG-CG2 4.03Å
464L49.4Very low44.9Very low86 Ų8692.5 Ų92.545%0.4545%0.447SS..Hα-helixtrans-59.1-44.4176.8-17274.6000111.7K460 I462 L466 E467 I468K460-L464 VanDerWaalsContact O-CB 3.3Å; K460-L464 WeakPolarHBondContact O-CB 3.21Å; K460-L464 PolarHBondContact O-N 2.83Å; I462-L464 PolarHBondContact O-N 3.29Å; L464-L466 VanDerWaalsContact C-N 3.32Å; L464-L466 PolarHBondContact O-N 3.49Å; L464-E467 PolarHBondContact O-N 3.08Å; L464-I468 HydrophobicContact CD2-CD1 4.47Å; L464-I468 HydrophobicContact CG-CD1 3.99Å; L464-I468 WeakPolarHBondContact O-CB 3.5Å; L464-I468 WeakPolarHBondContact O-CD1 3.28Å; L464-I468 WeakPolarHBondContact O-CG1 3.42Å; L464-I468 PolarHBondContact O-N 3.23Å
465K43.7Very low45Very low147 Ų14793.9 Ų93.964%0.63945%0.448SS*.Hα-helixtrans-61.1-39.9175.4-85.9-174.9175.1-176.70112.5N461 I462 K463 I468 M469N461-K465 WeakPolarHBondContact O-CB 3.49Å; N461-K465 WeakPolarHBondContact O-CG 3.48Å; N461-K465 PolarHBondContact O-N 3.07Å; I462-K465 PolarHBondContact O-N 2.91Å; K463-K465 PolarHBondContact O-N 3.32Å; K465-I468 PolarHBondContact O-N 3.34Å; K465-M469 WeakPolarHBondContact O-CB 3.39Å; K465-M469 WeakPolarHBondContact O-CG 3.15Å; K465-M469 PolarHBondContact O-N 3.01Å
466L43.8Very low45.2Very low31 Ų3185.2 Ų85.216%0.16242%0.416CS..Hα-helixtrans-74-34.8-179.4-66.7162.9000112.1I462 K463 L464 M469 E470 V471 I476 W480I462-L466 HydrophobicContact CG2-CD1 3.66Å; I462-L466 HydrophobicContact CG2-CG 4.43Å; I462-L466 WeakPolarHBondContact O-CD1 3.23Å; I462-L466 VanDerWaalsContact O-CG 3.23Å; I462-L466 WeakPolarHBondContact O-CG 3.4Å; I462-L466 PolarHBondContact O-N 3.44Å; K463-L466 PolarHBondContact O-N 3.42Å; K463-L466 VanDerWaalsContact O-N 3.14Å; L464-L466 VanDerWaalsContact C-N 3.32Å; L464-L466 PolarHBondContact O-N 3.49Å; L466-M469 PolarHBondContact O-N 3.15Å; L466-E470 PolarHBondContact O-N 3.23Å; L466-V471 HydrophobicContact CB-CB 4.16Å; L466-V471 HydrophobicContact CB-CG2 4.34Å; L466-V471 HydrophobicContact CD2-CB 4.22Å; L466-V471 HydrophobicContact CD2-CG1 4.39Å; L466-V471 HydrophobicContact CD2-CG2 3.72Å; L466-V471 WeakPolarHBondContact O-CB 3.45Å; L466-V471 PolarHBondContact O-N 3.49Å; L466-I476 HydrophobicContact CB-CD1 3.46Å; L466-I476 VanDerWaalsContact CB-CD1 3.46Å; L466-I476 HydrophobicContact CB-CG1 3.7Å; L466-I476 HydrophobicContact CD1-CG1 4.35Å; L466-W480 HydrophobicContact CD1-CE3 4.37Å; L466-W480 HydrophobicContact CD1-CH2 2.92Å; L466-W480 HydrophobicContact CD1-CZ2 4Å; L466-W480 HydrophobicContact CD1-CZ3 3.12Å; L466-W480 HydrophobicContact CG-CH2 4.4Å
467E48.6Very low45.2Very low78 Ų7883.8 Ų83.836%0.36441%0.407SS..Hα-helixtrans-62.6-42.4169.4-72.5171179.300110.7K463 L464 M469 E470 I476K463-E467 WeakPolarHBondContact CE-OE1 3.38Å; K463-E467 HydrophobicContact CG-CG 4.48Å; K463-E467 WeakPolarHBondContact CG-OE1 3.42Å; K463-E467 WeakPolarHBondContact O-CB 3.42Å; K463-E467 WeakPolarHBondContact O-CG 3.23Å; K463-E467 PolarHBondContact O-N 2.9Å; L464-E467 PolarHBondContact O-N 3.08Å; E467-M469 VanDerWaalsContact C-N 3.32Å; E467-M469 PolarHBondContact O-N 3.41Å; E467-E470 PolarHBondContact O-N 2.82Å; E467-I476 HydrophobicContact CG-CD1 4.06Å
468I52.9Low45.2Very low124 Ų12484 Ų8464%0.63642%0.416SS*.Hα-helixtrans-65.1-34174.1-70.1165.2000112.1L464 K465 E470L464-I468 HydrophobicContact CD2-CD1 4.47Å; L464-I468 HydrophobicContact CG-CD1 3.99Å; L464-I468 WeakPolarHBondContact O-CB 3.5Å; L464-I468 WeakPolarHBondContact O-CD1 3.28Å; L464-I468 WeakPolarHBondContact O-CG1 3.42Å; L464-I468 PolarHBondContact O-N 3.23Å; K465-I468 PolarHBondContact O-N 3.34Å; I468-E470 PolarHBondContact O-N 3.46Å
469M43Very low44.9Very low135 Ų13582 Ų8267%0.66541%0.405SS*.THydrogen-bonded Turntrans-79.95.7177.9-72.9176.569.500113.6K465 L466 E467 V471K465-M469 WeakPolarHBondContact O-CB 3.39Å; K465-M469 WeakPolarHBondContact O-CG 3.15Å; K465-M469 PolarHBondContact O-N 3.01Å; L466-M469 PolarHBondContact O-N 3.15Å; E467-M469 VanDerWaalsContact C-N 3.32Å; E467-M469 PolarHBondContact O-N 3.41Å; M469-V471 HydrophobicContact CB-CG2 3.9Å; M469-V471 PolarHBondContact O-N 3.07Å; M469-V471 VanDerWaalsContact O-N 3.11Å
470E49.9Very low45Very low181 Ų18182.3 Ų82.385%0.84640%0.403SS*.THydrogen-bonded Turntrans52.929.4-174.8-56.3-172.8152.400112.9L466 E467 I468 D472L466-E470 PolarHBondContact O-N 3.23Å; E467-E470 PolarHBondContact O-N 2.82Å; I468-E470 PolarHBondContact O-N 3.46Å; E470-D472 PolarHBondContact O-N 3.04Å
471V39.8Very low44.4Very low41 Ų4177.9 Ų77.925%0.24840%0.396CS..  trans-65.5131.7175175.90000107.9L466 M469 H473 I475 I476L466-V471 HydrophobicContact CB-CB 4.16Å; L466-V471 HydrophobicContact CB-CG2 4.34Å; L466-V471 HydrophobicContact CD2-CB 4.22Å; L466-V471 HydrophobicContact CD2-CG1 4.39Å; L466-V471 HydrophobicContact CD2-CG2 3.72Å; L466-V471 WeakPolarHBondContact O-CB 3.45Å; L466-V471 PolarHBondContact O-N 3.49Å; M469-V471 HydrophobicContact CB-CG2 3.9Å; M469-V471 PolarHBondContact O-N 3.07Å; M469-V471 VanDerWaalsContact O-N 3.11Å; V471-H473 PolarHBondContact O-N 3.09Å; V471-H473 VanDerWaalsContact O-N 3.14Å; V471-I475 HydrophobicContact CG1-CB 4.14Å; V471-I475 HydrophobicContact CG1-CG2 4.06Å; V471-I476 HydrophobicContact CB-CD1 4.15Å; V471-I476 HydrophobicContact CB-CG1 4.13Å; V471-I476 HydrophobicContact CG1-CD1 4.47Å; V471-I476 HydrophobicContact CG1-CG1 3.92Å; V471-I476 WeakPolarHBondContact O-CD1 3.21Å
472D49Very low43.6Very low92 Ų9283.9 Ų83.949%0.49242%0.42SS..  trans-46.9125.3-177.3-168.5-52.3000110.3E470 E474 I475 I476E470-D472 PolarHBondContact O-N 3.04Å; D472-E474 PolarHBondContact O-N 3.16Å; D472-E474 VanDerWaalsContact O-N 3.13Å; D472-E474 WeakPolarHBondContact OD1-CB 3.37Å; D472-E474 PolarHBondContact OD1-N 3.2Å; D472-I475 HydrophobicContact CB-CB 4.42Å; D472-I475 HydrophobicContact CB-CD1 3.9Å; D472-I475 HydrophobicContact CB-CG1 4.01Å; D472-I475 WeakPolarHBondContact O-CA 3.11Å; D472-I475 WeakPolarHBondContact O-CB 3.33Å; D472-I475 PolarHBondContact O-N 3.37Å; D472-I476 PolarHBondContact O-N 3.32Å; D472-I476 VanDerWaalsContact O-N 3.1Å
473H48.6Very low43.1Very low57 Ų5783.7 Ų83.726%0.26443%0.429SS..Hα-helixtrans-61.6-25.7-173.7-154.4-31.2000111.5W246 V471 Q477W246-H473 AromaticContact CD1-CE1 3.93Å; W246-H473 AromaticContact CD1-NE2 3.94Å; W246-H473 AromaticContact NE1-CE1 3.16Å; W246-H473 PolarHBondContact NE1-CE1 3.49Å; W246-H473 AromaticContact NE1-NE2 3.21Å; W246-H473 PolarHBondContact NE1-NE2 3.11Å; V471-H473 PolarHBondContact O-N 3.09Å; V471-H473 VanDerWaalsContact O-N 3.14Å; H473-Q477 PolarHBondContact CE1-NE2 3.23Å; H473-Q477 PolarHBondContact ND1-NE2 3.31Å; H473-Q477 WeakPolarHBondContact O-CB 3.35Å; H473-Q477 WeakPolarHBondContact O-CG 3.33Å; H473-Q477 PolarHBondContact O-N 2.99Å
474E46.2Very low42.4Very low136 Ų13684.2 Ų84.264%0.63643%0.429SS*.Hα-helixtrans-65.1-39.1170.3-72.3-165.8144.100111.9D472 Q477 T478D472-E474 PolarHBondContact O-N 3.16Å; D472-E474 VanDerWaalsContact O-N 3.13Å; D472-E474 WeakPolarHBondContact OD1-CB 3.37Å; D472-E474 PolarHBondContact OD1-N 3.2Å; E474-Q477 PolarHBondContact O-N 2.94Å; E474-T478 WeakPolarHBondContact O-CB 3.38Å; E474-T478 PolarHBondContact O-N 3.19Å; E474-T478 PolarHBondContact O-OG1 3.02Å
475I40Very low41.8Very low91 Ų9183.5 Ų83.547%0.46742%0.42SS..Hα-helixtrans-67.6-47.6178.3-63.6175.6000109.8V471 D472 Q477 T478 I479V471-I475 HydrophobicContact CG1-CB 4.14Å; V471-I475 HydrophobicContact CG1-CG2 4.06Å; D472-I475 HydrophobicContact CB-CB 4.42Å; D472-I475 HydrophobicContact CB-CD1 3.9Å; D472-I475 HydrophobicContact CB-CG1 4.01Å; D472-I475 WeakPolarHBondContact O-CA 3.11Å; D472-I475 WeakPolarHBondContact O-CB 3.33Å; D472-I475 PolarHBondContact O-N 3.37Å; I475-Q477 VanDerWaalsContact C-N 3.25Å; I475-Q477 PolarHBondContact O-N 2.78Å; I475-T478 PolarHBondContact O-N 3.45Å; I475-T478 VanDerWaalsContact O-N 3.12Å; I475-I479 HydrophobicContact CG2-CD1 3.86Å; I475-I479 WeakPolarHBondContact O-CD1 3.45Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.25Å; I475-I479 PolarHBondContact O-N 3.22Å; I475-I479 VanDerWaalsContact O-N 3.16Å
476I41.8Very low41.3Very low4 Ų477.4 Ų77.42%0.02139%0.394CS..Hα-helixtrans-56-43.9175.6-62177.5000110.4K463 L466 E467 V471 D472 I479 W480K463-I476 HydrophobicContact CG-CG2 4.03Å; L466-I476 HydrophobicContact CB-CD1 3.46Å; L466-I476 VanDerWaalsContact CB-CD1 3.46Å; L466-I476 HydrophobicContact CB-CG1 3.7Å; L466-I476 HydrophobicContact CD1-CG1 4.35Å; E467-I476 HydrophobicContact CG-CD1 4.06Å; V471-I476 HydrophobicContact CB-CD1 4.15Å; V471-I476 HydrophobicContact CB-CG1 4.13Å; V471-I476 HydrophobicContact CG1-CD1 4.47Å; V471-I476 HydrophobicContact CG1-CG1 3.92Å; V471-I476 WeakPolarHBondContact O-CD1 3.21Å; D472-I476 PolarHBondContact O-N 3.32Å; D472-I476 VanDerWaalsContact O-N 3.1Å; I476-I479 PolarHBondContact O-N 3.09Å; I476-W480 HydrophobicContact CB-CE3 4.43Å; I476-W480 HydrophobicContact CB-CZ3 4.13Å; I476-W480 HydrophobicContact CG1-CZ3 4.47Å; I476-W480 HydrophobicContact CG2-CE3 3.68Å; I476-W480 HydrophobicContact CG2-CZ3 3.69Å; I476-W480 PolarHBondContact O-N 2.86Å
477Q43.9Very low40.8Very low33 Ų3384.4 Ų84.415%0.15442%0.418CS..Hα-helixtrans-73.8-26.8-179.6-741774.800114F247 H473 E474 I475 I479 G481F247-Q477 VanDerWaalsContact CE1-NE2 3.27Å; H473-Q477 PolarHBondContact CE1-NE2 3.23Å; H473-Q477 PolarHBondContact ND1-NE2 3.31Å; H473-Q477 WeakPolarHBondContact O-CB 3.35Å; H473-Q477 WeakPolarHBondContact O-CG 3.33Å; H473-Q477 PolarHBondContact O-N 2.99Å; E474-Q477 PolarHBondContact O-N 2.94Å; I475-Q477 VanDerWaalsContact C-N 3.25Å; I475-Q477 PolarHBondContact O-N 2.78Å; Q477-I479 VanDerWaalsContact C-N 3.3Å; Q477-G481 PolarHBondContact O-N 2.84Å
478T41.8Very low40Very low108 Ų10888.4 Ų88.466%0.66343%0.434SS*.Hα-helixtrans-67.9-34.7174.1-56.60000110.8E474 I475E474-T478 WeakPolarHBondContact O-CB 3.38Å; E474-T478 PolarHBondContact O-N 3.19Å; E474-T478 PolarHBondContact O-OG1 3.02Å; I475-T478 PolarHBondContact O-N 3.45Å; I475-T478 VanDerWaalsContact O-N 3.12Å
479I34.2Very low39.3Very low35 Ų3587.5 Ų87.518%0.17944%0.439CS..Hα-helixtrans-77.8-31.3-176.7-58.4158000112.3H324 I475 I476 Q477H324-I479 VanDerWaalsContact CE1-CD1 3.45Å; H324-I479 WeakPolarHBondContact CE1-CD1 3.41Å; H324-I479 WeakPolarHBondContact NE2-CD1 3.36Å; I475-I479 HydrophobicContact CG2-CD1 3.86Å; I475-I479 WeakPolarHBondContact O-CD1 3.45Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.25Å; I475-I479 PolarHBondContact O-N 3.22Å; I475-I479 VanDerWaalsContact O-N 3.16Å; I476-I479 PolarHBondContact O-N 3.09Å; Q477-I479 VanDerWaalsContact C-N 3.3Å
480W45.5Very low38.8Very low52 Ų5285.2 Ų85.220%0.19744%0.442CS..Hα-helixtrans-123.321.4-170.7-63.8-60.4000116.4L459 I462 L466 I476 K482L459-W480 HydrophobicContact CD2-CG 4.13Å; L459-W480 VanDerWaalsContact CD2-NE1 3.27Å; I462-W480 HydrophobicContact CB-CZ2 4.47Å; I462-W480 HydrophobicContact CG2-CH2 3.6Å; I462-W480 HydrophobicContact CG2-CZ2 3.29Å; I462-W480 HydrophobicContact CG2-CZ3 4.4Å; L466-W480 HydrophobicContact CD1-CE3 4.37Å; L466-W480 HydrophobicContact CD1-CH2 2.92Å; L466-W480 HydrophobicContact CD1-CZ2 4Å; L466-W480 HydrophobicContact CD1-CZ3 3.12Å; L466-W480 HydrophobicContact CG-CH2 4.4Å; I476-W480 HydrophobicContact CB-CE3 4.43Å; I476-W480 HydrophobicContact CB-CZ3 4.13Å; I476-W480 HydrophobicContact CG1-CZ3 4.47Å; I476-W480 HydrophobicContact CG2-CE3 3.68Å; I476-W480 HydrophobicContact CG2-CZ3 3.69Å; I476-W480 PolarHBondContact O-N 2.86Å; W480-K482 VanDerWaalsContact C-N 3.33Å; W480-K482 PolarHBondContact O-N 2.96Å
481G34.9Very low37.7Very low44 Ų4481.1 Ų81.145%0.45444%0.439SS..  trans-62.774.4-174.100000117.3Q477Q477-G481 PolarHBondContact O-N 2.84Å
482K28.8Very low37.1Very low182 Ų18286.9 Ų86.979%0.79147%0.467SS*.  trans-134.688.8145.7-77.7-170.1-179.8174.70107.8W480W480-K482 VanDerWaalsContact C-N 3.33Å; W480-K482 PolarHBondContact O-N 2.96Å
483G32.1Very low35.9Very low39 Ų3986.3 Ų86.340%0.40247%0.47SS..SBendtrans-164134.317800000109.2C258C258-G483 WeakPolarHBondContact CB-O 3.08Å; C258-G483 PolarHBondContact SG-O 2.91Å
484Y32.9Very low34.8Very low73 Ų7393.7 Ų93.729%0.28650%0.497SS..EExtended strand (participates in β ladder)trans-66.3139.3-177.8-56.4-104.8000110.6Y136 Y255 I256 N257Y136-Y484 HydrophobicContact CG-CE2 4.5Å; Y255-Y484 AromaticContact CD1-CD1 3.76Å; Y255-Y484 HydrophobicContact CD1-CD1 3.76Å; Y255-Y484 HydrophobicContact CD1-CE1 4.47Å; Y255-Y484 HydrophobicContact CD1-CG 4.16Å; Y255-Y484 VanDerWaalsContact CE1-CB 3.44Å; Y255-Y484 AromaticContact CE1-CD1 3.09Å; Y255-Y484 HydrophobicContact CE1-CD1 3.09Å; Y255-Y484 AromaticContact CE1-CD2 3.91Å; Y255-Y484 HydrophobicContact CE1-CD2 3.91Å; Y255-Y484 AromaticContact CE1-CE1 3.72Å; Y255-Y484 HydrophobicContact CE1-CE1 3.72Å; Y255-Y484 HydrophobicContact CE1-CE2 4.41Å; Y255-Y484 AromaticContact CE1-CG 3.23Å; Y255-Y484 HydrophobicContact CE1-CG 3.23Å; Y255-Y484 HydrophobicContact CE2-CG 4.24Å; Y255-Y484 AromaticContact CZ-CD1 3.71Å; Y255-Y484 AromaticContact CZ-CD2 3.71Å; Y255-Y484 AromaticContact CZ-CG 3.26Å; Y255-Y484 WeakPolarHBondContact OH-CB 3.26Å; Y255-Y484 WeakPolarHBondContact OH-CD2 3.39Å; I256-Y484 CarbonylContact O-C 3.53Å; I256-Y484 WeakPolarHBondContact O-CA 3.44Å; I256-Y484 WeakPolarHBondContact O-CB 3.38Å; N257-Y484 HydrophobicContact CB-CD1 3.45Å; N257-Y484 VanDerWaalsContact CB-CD1 3.45Å; N257-Y484 HydrophobicContact CB-CE1 3.55Å; N257-Y484 HydrophobicContact CB-CG 4.41Å; N257-Y484 VanDerWaalsContact CG-CE1 3.5Å; N257-Y484 WeakPolarHBondContact ND2-CE1 3.29Å
485R36.4Very low33.9Very low70 Ų70100.6 Ų100.626%0.26453%0.525SS..EExtended strand (participates in β ladder)trans-112.1154.4174.2-82.9171.8-176.2166.8-0.3111F247 I256 C258F247-R485 HydrophobicContact CE2-CG 4.45Å; F247-R485 VanDerWaalsContact CZ-CZ 3.45Å; F247-R485 VanDerWaalsContact CZ-NE 3.35Å; I256-R485 VanDerWaalsContact CA-O 3.29Å; I256-R485 WeakPolarHBondContact CA-O 3.26Å; I256-R485 WeakPolarHBondContact CB-O 3.38Å; I256-R485 VanDerWaalsContact CG1-O 3.28Å; I256-R485 WeakPolarHBondContact CG1-O 3.4Å; I256-R485 PolarHBondContact N-O 3Å; I256-R485 PolarHBondContact O-N 2.67Å; C258-R485 WeakPolarHBondContact SG-CB 3.49Å; C258-R485 WeakPolarHBondContact SG-CD 3.37Å; C258-R485 WeakPolarHBondContact SG-CG 3.47Å; C258-R485 PolarHBondContact SG-N 3.19Å
486F32.6Very low33.6Very low19 Ų19101.1 Ų101.18%0.08353%0.528CS..  trans-93156.1155.1-59.6-113.7000110.4L140 C252 E253 R254 Y255L140-F486 HydrophobicContact CD1-CE1 3.63Å; L140-F486 HydrophobicContact CD1-CZ 3.56Å; C252-F486 HydrophobicContact CB-CB 4.11Å; C252-F486 HydrophobicContact CB-CD1 4.07Å; C252-F486 HydrophobicContact CB-CG 4.35Å; C252-F486 WeakPolarHBondContact O-CD1 3.08Å; C252-F486 WeakPolarHBondContact O-CE1 3.42Å; C252-F486 VanDerWaalsContact SG-CB 3.57Å; E253-F486 VanDerWaalsContact C-CD1 3.43Å; R254-F486 VanDerWaalsContact C-CE1 3.43Å; R254-F486 HydrophobicContact CB-CD1 4.49Å; R254-F486 WeakPolarHBondContact O-CA 3.28Å; R254-F486 WeakPolarHBondContact O-CB 3.49Å; R254-F486 WeakPolarHBondContact O-CD1 3.25Å; R254-F486 WeakPolarHBondContact O-CG 3.32Å; Y255-F486 HydrophobicContact CD2-CD2 4.21Å; Y255-F486 HydrophobicContact CD2-CE1 4.24Å; Y255-F486 AromaticContact CD2-CE2 3.44Å; Y255-F486 HydrophobicContact CD2-CE2 3.44Å; Y255-F486 VanDerWaalsContact CD2-CE2 3.44Å; Y255-F486 AromaticContact CD2-CZ 3.45Å; Y255-F486 HydrophobicContact CD2-CZ 3.45Å; Y255-F486 VanDerWaalsContact CD2-CZ 3.45Å; Y255-F486 AromaticContact CE2-CE2 3.96Å; Y255-F486 HydrophobicContact CE2-CE2 3.96Å; Y255-F486 HydrophobicContact CE2-CZ 4.26Å; Y255-F486 HydrophobicContact CG-CZ 4.34Å
487R33.5Very low33.2Very low178 Ų178106.2 Ų106.267%0.67256%0.555SS**  trans-143.6159.2174.8-175.3-173-150.1-159.57.8108.2R254 I256R254-R487 VanDerWaalsContact NE-C 3.34Å; R254-R487 PolarHBondContact NE-O 2.95Å; R254-R487 PolarHBondContact NH1-O 3.04Å; R254-R487 VanDerWaalsContact NH2-CB 3.34Å; I256-R487 HydrophobicContact CD1-CB 3.82Å
488K32.6Very low32.6Very low162 Ų162110.3 Ų110.370%0.70458%0.577SS**  trans-100.3145170.8-136.7169.5-174.6167.80109.6R254 A490R254-K488 PolarHBondContact NH1-O 3.01Å; K488-A490 PolarHBondContact O-N 3.37Å; K488-A490 VanDerWaalsContact O-N 3.13Å
489S36.8Very low32Very low106 Ų106110.4 Ų110.474%0.74157%0.572SS**  trans-66112.7178.842.90000108.9A491S489-A491 PolarHBondContact O-N 2.99Å
490A33Very low31.9Very low86 Ų86115.1 Ų115.171%0.71160%0.596SS**  trans-67.3112.7152.100000105.7K488 I492K488-A490 PolarHBondContact O-N 3.37Å; K488-A490 VanDerWaalsContact O-N 3.13Å; A490-I492 PolarHBondContact O-N 3.44Å
491A26.8Very low31Very low96 Ų96119.3 Ų119.379%0.79362%0.623SS**  trans-54.7106.7164.600000108S489S489-A491 PolarHBondContact O-N 2.99Å
492I28.5Very low30.7Very low162 Ų162124.7 Ų124.783%0.83164%0.635SS**  trans-102.186.6155.7-56.5178.5000104.8A490A490-I492 PolarHBondContact O-N 3.44Å
493S22.2Very low30.9Very low80 Ų80120.3 Ų120.356%0.55962%0.623SS**  trans-77.1134.5149.468.30000106.7
494Y25.4Very low30.8Very low212 Ų212127.1 Ų127.183%0.83164%0.642SS**  173.6103.8124.8-91.3-69.3000108.9
495K28.7Very low30.6Very low281 Ų281132 Ų132100%1.22267%0.674SS**  trans65.10163.6-72.4-172.9175.9-179.30119.9

Retrieved 495 of 495 residues in 601.7 ms (Link to these results)

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