A0A3Q0KQR2_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KQR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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
1M58.1Low81.2Confident87 Ų8764.3 Ų64.343%0.42932%0.316SS..  0800-77.3172.9178.800108.6F3 I4 I267 G268M1-F3 PolarHBondContact O-N 2.96Å; M1-F3 VanDerWaalsContact O-N 3.08Å; M1-I4 HydrophobicContact CB-CD1 4.1Å; M1-I4 HydrophobicContact CB-CG1 4.43Å; M1-I4 HydrophobicContact CG-CD1 4.4Å; M1-I4 HydrophobicContact SD-CD1 3.58Å; M1-I4 VanDerWaalsContact SD-CD1 3.58Å; M1-I267 VanDerWaalsContact CE-C 3.46Å; M1-I267 VanDerWaalsContact CE-O 3.25Å; M1-I267 WeakPolarHBondContact CE-O 3.28Å; M1-G268 VanDerWaalsContact CE-CA 3.47Å
2N58.3Low82.3Confident118 Ų11860.5 Ų60.563%0.63130%0.298SS*.THydrogen-bonded Turntrans-79.213.4-175.2-62.9-0.7000113.1
3F72.4Confident83Confident59 Ų5958.2 Ų58.226%0.25929%0.29SS..THydrogen-bonded Turntrans-114.61.3-172.9-53.5-63.2000112.8M1 K84 M151 Y152M1-F3 PolarHBondContact O-N 2.96Å; M1-F3 VanDerWaalsContact O-N 3.08Å; F3-K84 HydrophobicContact CD1-CD 3.71Å; F3-K84 HydrophobicContact CE1-CD 3.82Å; F3-M151 HydrophobicContact CD1-SD 4.49Å; F3-M151 HydrophobicContact CD2-CG 3.99Å; F3-M151 HydrophobicContact CE2-CG 4.06Å; F3-M151 HydrophobicContact CG-CG 4.31Å; F3-M151 HydrophobicContact CZ-CG 4.44Å; F3-Y152 HydrophobicContact CB-CD1 4.31Å; F3-Y152 HydrophobicContact CB-CE1 3.47Å; F3-Y152 VanDerWaalsContact CB-CE1 3.47Å; F3-Y152 PolarHBondContact O-OH 3.5Å
4I78.8Confident83.5Confident41 Ų4154.1 Ų54.121%0.2127%0.27CS..  trans-105.3125.7176.1-59.2176000107.1M1 F109 C129 Y152M1-I4 HydrophobicContact CB-CD1 4.1Å; M1-I4 HydrophobicContact CB-CG1 4.43Å; M1-I4 HydrophobicContact CG-CD1 4.4Å; M1-I4 HydrophobicContact SD-CD1 3.58Å; M1-I4 VanDerWaalsContact SD-CD1 3.58Å; I4-F109 HydrophobicContact CG1-CZ 4.26Å; I4-C129 HydrophobicContact CD1-CB 4.24Å; I4-C129 VanDerWaalsContact CG2-SG 3.55Å; I4-Y152 HydrophobicContact CG1-CD1 4.48Å; I4-Y152 HydrophobicContact CG1-CE1 4.23Å
5Y85.2Confident83.7Confident9 Ų958.9 Ų58.94%0.03529%0.288CS..PPolyproline II helixtrans-93.2156.8175.746.3-92.4000110.6L7 Q78 T79 R80 F94 L97 F109 R111Y5-L7 HydrophobicContact CD2-CD2 4.14Å; Y5-L7 HydrophobicContact CE2-CD2 3.78Å; Y5-L7 HydrophobicContact CE2-CG 4.47Å; Y5-Q78 WeakPolarHBondContact CE2-O 3.21Å; Y5-T79 WeakPolarHBondContact OH-CA 3.3Å; Y5-T79 PolarHBondContact OH-O 3.1Å; Y5-R80 PolarHBondContact OH-N 2.66Å; Y5-R80 PolarHBondContact OH-O 3.49Å; Y5-F94 HydrophobicContact CD2-CD2 4.23Å; Y5-F94 HydrophobicContact CE2-CD2 4.46Å; Y5-L97 HydrophobicContact CD1-CD1 4.01Å; Y5-L97 HydrophobicContact CD1-CD2 4.09Å; Y5-L97 HydrophobicContact CD2-CD1 3.71Å; Y5-L97 HydrophobicContact CE1-CD1 3.71Å; Y5-L97 HydrophobicContact CE1-CD2 3.71Å; Y5-L97 HydrophobicContact CE1-CG 4.32Å; Y5-L97 HydrophobicContact CE2-CD1 3.37Å; Y5-L97 HydrophobicContact CG-CD1 4.01Å; Y5-F109 HydrophobicContact CE1-CD2 4.08Å; Y5-F109 AromaticContact CE1-CE2 3.9Å; Y5-F109 HydrophobicContact CE1-CE2 3.9Å; Y5-F109 AromaticContact CZ-CD2 3.93Å; Y5-R111 PolarHBondContact O-NH2 3.11Å
6D86.6Confident83.4Confident116 Ų11655.8 Ų55.862%0.6227%0.274SS*.PPolyproline II helixtrans-77.6146.1171-58.9-32.7000110.4F94D6-F94 WeakPolarHBondContact O-CB 3.39Å
7L89.6Confident83.2Confident13 Ų1358.2 Ų58.27%0.06828%0.283CS..PPolyproline II helixtrans-98.2147.1172.8-77.8-176.8000110.8Y5 L11 L12 Q78 T79 F94 R111Y5-L7 HydrophobicContact CD2-CD2 4.14Å; Y5-L7 HydrophobicContact CE2-CD2 3.78Å; Y5-L7 HydrophobicContact CE2-CG 4.47Å; L7-L11 HydrophobicContact CB-CB 4.29Å; L7-L11 HydrophobicContact CD1-CB 3.99Å; L7-L11 HydrophobicContact CD2-CD1 3.95Å; L7-L11 HydrophobicContact CG-CB 4.48Å; L7-L12 HydrophobicContact CB-CD1 4.34Å; L7-L12 HydrophobicContact CB-CD2 3.98Å; L7-L12 HydrophobicContact CB-CG 3.94Å; L7-L12 HydrophobicContact CD1-CD2 4.22Å; L7-Q78 WeakPolarHBondContact CD2-O 3.3Å; L7-T79 HydrophobicContact CD1-CG2 4.08Å; L7-T79 HydrophobicContact CD2-CG2 4.35Å; L7-F94 HydrophobicContact CD2-CD2 3.59Å; L7-F94 HydrophobicContact CD2-CE2 3.43Å; L7-F94 VanDerWaalsContact CD2-CE2 3.43Å; L7-R111 VanDerWaalsContact CG-CZ 3.46Å; L7-R111 VanDerWaalsContact CG-NE 3.33Å
8P90.5Very high83.2Confident42 Ų4255.9 Ų55.927%0.27327%0.271SS..PPolyproline II helixtrans-64.3150.5167.729.4-35.7000110.8R10 L11 F94P8-R10 HydrophobicContact CB-CG 4.28Å; P8-R10 HydrophobicContact CG-CG 4.1Å; P8-R10 PolarHBondContact O-N 3.22Å; P8-L11 HydrophobicContact CG-CD1 4.02Å; P8-L11 HydrophobicContact CG-CG 4.11Å; P8-L11 PolarHBondContact O-N 2.74Å; P8-F94 VanDerWaalsContact CD-CZ 3.44Å; P8-F94 HydrophobicContact CG-CD1 4.32Å; P8-F94 HydrophobicContact CG-CE1 3.66Å; P8-F94 HydrophobicContact CG-CE2 4.18Å; P8-F94 HydrophobicContact CG-CZ 3.58Å
9E90.2Very high82.7Confident131 Ų13158.8 Ų58.861%0.61230%0.295SS*.G310 helixtrans-52.7-32.4-177.3-173.9177.7-171.400113.5L11 L12 T13 R124E9-L11 PolarHBondContact O-N 2.95Å; E9-L11 VanDerWaalsContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.14Å; E9-T13 HydrophobicContact CG-CG2 4Å; E9-T13 PolarHBondContact O-N 3.36Å; E9-T13 VanDerWaalsContact O-N 3.15Å; E9-T13 PolarHBondContact O-OG1 3.33Å; E9-R124 IonicContact OE1-NH1 2.81Å
10R92Very high82.6Confident91 Ų9157.7 Ų57.734%0.34329%0.291SS..G310 helixtrans-59.6-22.8176.576.9178.9-179164.8-1113.9P8 N59 E60P8-R10 HydrophobicContact CB-CG 4.28Å; P8-R10 HydrophobicContact CG-CG 4.1Å; P8-R10 PolarHBondContact O-N 3.22Å; R10-N59 WeakPolarHBondContact CB-OD1 3.26Å; R10-N59 PolarHBondContact NH1-O 2.59Å; R10-N59 PolarHBondContact NH2-O 2.67Å; R10-N59 PolarHBondContact O-OD1 2.91Å; R10-E60 IonicContact CZ-OE2 3.66Å; R10-E60 IonicContact NH1-OE2 2.82Å; R10-E60 PolarHBondContact NH1-OE2 3.24Å; R10-E60 IonicContact NH2-OE2 3.34Å
11L91.9Very high82.5Confident0 Ų055.9 Ų55.90%028%0.282CS..G310 helixtrans-103.5-0.2176.2-59-178.2000112.9L7 P8 E9 N59 L61 Q78 F94 W313L7-L11 HydrophobicContact CB-CB 4.29Å; L7-L11 HydrophobicContact CD1-CB 3.99Å; L7-L11 HydrophobicContact CD2-CD1 3.95Å; L7-L11 HydrophobicContact CG-CB 4.48Å; P8-L11 HydrophobicContact CG-CD1 4.02Å; P8-L11 HydrophobicContact CG-CG 4.11Å; P8-L11 PolarHBondContact O-N 2.74Å; E9-L11 PolarHBondContact O-N 2.95Å; E9-L11 VanDerWaalsContact O-N 3.13Å; L11-N59 HydrophobicContact CD2-CB 3.88Å; L11-L61 HydrophobicContact CD2-CD2 3.78Å; L11-Q78 HydrophobicContact CD1-CB 3.79Å; L11-Q78 HydrophobicContact CD1-CG 4.3Å; L11-F94 HydrophobicContact CD1-CE2 3.79Å; L11-F94 HydrophobicContact CD1-CZ 3.76Å; L11-W313 PolarHBondContact O-NE1 3.44Å
12L93.5Very high83.7Confident19 Ų1954.7 Ų54.710%0.09928%0.276CS..THydrogen-bonded Turntrans-108.6-1.9176.6-65.8176.1000112.5L7 E9 R111 R124 A125 M309L7-L12 HydrophobicContact CB-CD1 4.34Å; L7-L12 HydrophobicContact CB-CD2 3.98Å; L7-L12 HydrophobicContact CB-CG 3.94Å; L7-L12 HydrophobicContact CD1-CD2 4.22Å; E9-L12 PolarHBondContact O-N 3.14Å; L12-R111 VanDerWaalsContact CD2-CD 3.44Å; L12-R124 CarbonylContact O-C 3.52Å; L12-R124 WeakPolarHBondContact O-CA 3.4Å; L12-A125 HydrophobicContact CD2-CB 4.35Å; L12-A125 PolarHBondContact O-N 3.01Å; L12-M309 WeakPolarHBondContact O-CE 3.12Å
13T92.3Very high84.6Confident30 Ų3049.7 Ų49.718%0.18425%0.25CC..EExtended strand (participates in β ladder)trans-135141.1-176.860.30000111.8E9 L123 R124E9-T13 HydrophobicContact CG-CG2 4Å; E9-T13 PolarHBondContact O-N 3.36Å; E9-T13 VanDerWaalsContact O-N 3.15Å; E9-T13 PolarHBondContact O-OG1 3.33Å; T13-L123 WeakPolarHBondContact CA-O 3.36Å; T13-R124 HydrophobicContact CG2-CG 4.26Å
14V90.2Very high84.9Confident2 Ų249.8 Ų49.81%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-133.6122.4171.71710000108.8S16 L123 L308 M309 L312V14-S16 PolarHBondContact O-N 3.19Å; V14-L123 PolarHBondContact N-O 3.02Å; V14-L123 PolarHBondContact O-N 3.5Å; V14-L308 HydrophobicContact CG1-CB 4.02Å; V14-L308 HydrophobicContact CG1-CD1 4.21Å; V14-M309 HydrophobicContact CB-CB 4.48Å; V14-M309 HydrophobicContact CB-CE 4.2Å; V14-M309 HydrophobicContact CG2-CB 3.92Å; V14-M309 HydrophobicContact CG2-CE 4.03Å; V14-M309 HydrophobicContact CG2-CG 4.32Å; V14-L312 HydrophobicContact CG2-CD1 3.28Å; V14-L312 HydrophobicContact CG2-CG 4.1Å
15K86.1Confident85.1Confident126 Ų12652.8 Ų52.855%0.54827%0.269SS..EExtended strand (participates in β ladder)trans-69.4122.5168.5-170175.8-178.8177.50109.1F17 T121K15-F17 WeakPolarHBondContact O-CD2 3.31Å; K15-F17 WeakPolarHBondContact O-CE2 3.48Å; K15-F17 PolarHBondContact O-N 3.48Å; K15-T121 CarbonylContact C-O 3.53Å; K15-T121 WeakPolarHBondContact CA-O 3.39Å
16S78.3Confident84.8Confident9 Ų952.3 Ų52.36%0.06327%0.268CS..  trans-62.1113.1170-165.20000109.6V14 F18 T121 S305V14-S16 PolarHBondContact O-N 3.19Å; S16-F18 PolarHBondContact OG-N 3.15Å; S16-F18 PolarHBondContact OG-O 3.33Å; S16-T121 WeakPolarHBondContact CB-O 3.45Å; S16-T121 PolarHBondContact N-O 2.94Å; S16-S305 WeakPolarHBondContact CA-OG 3.46Å; S16-S305 VanDerWaalsContact CB-OG 3.31Å; S16-S305 WeakPolarHBondContact CB-OG 3.26Å; S16-S305 PolarHBondContact OG-OG 3.12Å
17F81.1Confident84.2Confident96 Ų9650.9 Ų50.942%0.42126%0.256SS..  trans-86-2.3167.5-57.2-79.4000112K15 K51 L308K15-F17 WeakPolarHBondContact O-CD2 3.31Å; K15-F17 WeakPolarHBondContact O-CE2 3.48Å; K15-F17 PolarHBondContact O-N 3.48Å; F17-K51 HydrophobicContact CD2-CD 4.3Å; F17-K51 HydrophobicContact CD2-CG 4.3Å; F17-K51 HydrophobicContact CE2-CD 4.41Å; F17-K51 HydrophobicContact CG-CD 4.37Å; F17-L308 HydrophobicContact CD2-CD1 3.89Å; F17-L308 HydrophobicContact CE2-CD1 4.41Å
18F82.1Confident83.8Confident18 Ų1855 Ų558%0.07928%0.275CS..SBendtrans-117148.6-170.7-57.6-83.1000111S16 V20 Q44 T47 I48 P304 L308S16-F18 PolarHBondContact OG-N 3.15Å; S16-F18 PolarHBondContact OG-O 3.33Å; F18-V20 PolarHBondContact O-N 2.98Å; F18-Q44 HydrophobicContact CD1-CG 3.84Å; F18-Q44 HydrophobicContact CE1-CG 3.8Å; F18-T47 HydrophobicContact CE1-CG2 3.73Å; F18-T47 HydrophobicContact CZ-CG2 3.76Å; F18-I48 HydrophobicContact CE1-CG1 4.17Å; F18-I48 HydrophobicContact CE2-CG1 3.76Å; F18-I48 HydrophobicContact CZ-CB 4.39Å; F18-I48 HydrophobicContact CZ-CG1 3.42Å; F18-I48 VanDerWaalsContact CZ-CG1 3.42Å; F18-P304 HydrophobicContact CB-CB 3.73Å; F18-P304 HydrophobicContact CB-CG 3.76Å; F18-P304 HydrophobicContact CD1-CB 3.95Å; F18-P304 HydrophobicContact CD1-CG 4.21Å; F18-P304 HydrophobicContact CD2-CB 3.2Å; F18-P304 HydrophobicContact CD2-CG 4.16Å; F18-P304 HydrophobicContact CE1-CB 4.37Å; F18-P304 HydrophobicContact CE2-CB 3.68Å; F18-P304 HydrophobicContact CG-CB 3.34Å; F18-P304 HydrophobicContact CG-CG 3.78Å; F18-P304 HydrophobicContact CZ-CB 4.25Å; F18-L308 HydrophobicContact CD2-CD1 4.29Å; F18-L308 HydrophobicContact CE2-CD1 3.63Å; F18-L308 HydrophobicContact CE2-CG 4.27Å
19P74.3Confident83.3Confident111 Ų11154.1 Ų54.172%0.72127%0.266SS*.  trans-56.5128.3170.2-22.633.1000110.5
20V80.7Confident82.5Confident35 Ų3549.5 Ų49.521%0.21225%0.245CC..  trans-74144.4172.1-58.60000109.8F18 Q22 W300F18-V20 PolarHBondContact O-N 2.98Å; V20-Q22 HydrophobicContact CG2-CG 4.38Å; V20-Q22 PolarHBondContact O-N 3.32Å; V20-W300 HydrophobicContact CB-CB 4.29Å; V20-W300 HydrophobicContact CB-CD2 4.16Å; V20-W300 HydrophobicContact CB-CE3 3.72Å; V20-W300 HydrophobicContact CB-CG 4.45Å; V20-W300 HydrophobicContact CB-CZ3 4.35Å; V20-W300 HydrophobicContact CG1-CD2 4.14Å; V20-W300 HydrophobicContact CG1-CE3 3.54Å; V20-W300 HydrophobicContact CG1-CH2 4.3Å; V20-W300 HydrophobicContact CG1-CZ3 3.67Å; V20-W300 HydrophobicContact CG2-CB 4.3Å
21I80.8Confident81.6Confident21 Ų2149 Ų4911%0.10825%0.249CC..EExtended strand (participates in β ladder)trans-88.599.5174.5-56.2160000106.9F26 Y29 W300 I301 F331I21-F26 HydrophobicContact CG2-CD1 3.71Å; I21-F26 HydrophobicContact CG2-CE1 3.89Å; I21-Y29 HydrophobicContact CD1-CD1 4.46Å; I21-Y29 HydrophobicContact CD1-CD2 3.52Å; I21-Y29 HydrophobicContact CD1-CE1 4.24Å; I21-Y29 HydrophobicContact CD1-CE2 3.24Å; I21-Y29 HydrophobicContact CD1-CG 4.12Å; I21-Y29 HydrophobicContact CG1-CD2 3.97Å; I21-Y29 HydrophobicContact CG1-CE2 4.15Å; I21-Y29 HydrophobicContact CG2-CD2 4.23Å; I21-Y29 HydrophobicContact CG2-CG 3.97Å; I21-W300 CarbonylContact O-C 3.59Å; I21-W300 WeakPolarHBondContact O-CA 3.5Å; I21-I301 WeakPolarHBondContact CB-O 3.23Å; I21-I301 PolarHBondContact N-O 3.45Å; I21-I301 PolarHBondContact O-N 3.43Å; I21-F331 HydrophobicContact CD1-CD1 4.33Å; I21-F331 HydrophobicContact CD1-CE1 3.71Å
22Q82.1Confident80.9Confident62 Ų6250.4 Ų50.429%0.2926%0.257SS..EExtended strand (participates in β ladder)trans-67.3146.3172.9-70.9178.2-32.200110.7V20 S24 K25 F26 D119V20-Q22 HydrophobicContact CG2-CG 4.38Å; V20-Q22 PolarHBondContact O-N 3.32Å; Q22-S24 PolarHBondContact O-N 2.84Å; Q22-K25 CarbonylContact O-C 3.45Å; Q22-K25 WeakPolarHBondContact O-CA 3.49Å; Q22-K25 WeakPolarHBondContact O-CB 3.35Å; Q22-K25 PolarHBondContact O-N 3.44Å; Q22-F26 WeakPolarHBondContact O-CD1 3.43Å; Q22-F26 PolarHBondContact O-N 2.72Å; Q22-D119 PolarHBondContact NE2-OD2 3.13Å
23S78.3Confident79.8Confident13 Ų1350.9 Ų50.99%0.09126%0.262CS..G310 helixtrans-57.1-30.9177.153.60000113.3K25 F26 H299S23-K25 PolarHBondContact O-N 3.5Å; S23-F26 WeakPolarHBondContact O-CG 3.38Å; S23-F26 PolarHBondContact O-N 3.18Å; S23-H299 WeakPolarHBondContact CB-O 3.45Å; S23-H299 PolarHBondContact N-O 2.7Å; S23-H299 PolarHBondContact OG-O 3.15Å
24S78.4Confident78.4Confident61 Ų6155.7 Ų55.743%0.42729%0.285SS..G310 helixtrans-63-23.5171.454.90000113.7Q22 N348Q22-S24 PolarHBondContact O-N 2.84Å; S24-N348 WeakPolarHBondContact CA-ND2 3.31Å; S24-N348 PolarHBondContact O-ND2 3Å; S24-N348 VanDerWaalsContact O-ND2 3.15Å
25K81.9Confident77.3Confident103 Ų10360.1 Ų60.145%0.44831%0.313SS..G310 helixtrans-104.36.9-179.6-61-172.9-179179.10113.1Q22 S23 K27 Q28 Y29Q22-K25 CarbonylContact O-C 3.45Å; Q22-K25 WeakPolarHBondContact O-CA 3.49Å; Q22-K25 WeakPolarHBondContact O-CB 3.35Å; Q22-K25 PolarHBondContact O-N 3.44Å; S23-K25 PolarHBondContact O-N 3.5Å; K25-K27 VanDerWaalsContact C-N 3.26Å; K25-K27 PolarHBondContact O-N 3.38Å; K25-Q28 PolarHBondContact O-N 3.01Å; K25-Y29 WeakPolarHBondContact O-CB 3.35Å; K25-Y29 PolarHBondContact O-N 3.05Å
26F79.1Confident76.2Confident0 Ų060.8 Ų60.80%032%0.322CS..Hα-helixtrans-58.3-38.1-179.8-74.9-7.7000113I21 Q22 S23 Y29 L30 L294 F331 L335 I345I21-F26 HydrophobicContact CG2-CD1 3.71Å; I21-F26 HydrophobicContact CG2-CE1 3.89Å; Q22-F26 WeakPolarHBondContact O-CD1 3.43Å; Q22-F26 PolarHBondContact O-N 2.72Å; S23-F26 WeakPolarHBondContact O-CG 3.38Å; S23-F26 PolarHBondContact O-N 3.18Å; F26-Y29 PolarHBondContact O-N 2.95Å; F26-L30 WeakPolarHBondContact O-CB 3.41Å; F26-L30 PolarHBondContact O-N 3.13Å; F26-L294 HydrophobicContact CE2-CD2 3.81Å; F26-L294 HydrophobicContact CZ-CD2 3.81Å; F26-F331 HydrophobicContact CE1-CZ 4.26Å; F26-L335 HydrophobicContact CB-CD1 4.24Å; F26-L335 HydrophobicContact CB-CD2 4.13Å; F26-L335 HydrophobicContact CD1-CD1 4.47Å; F26-L335 HydrophobicContact CD1-CD2 4.23Å; F26-L335 HydrophobicContact CD2-CD2 3.37Å; F26-L335 HydrophobicContact CE1-CD2 4.5Å; F26-L335 HydrophobicContact CE2-CD2 3.69Å; F26-L335 HydrophobicContact CG-CD1 4.28Å; F26-L335 HydrophobicContact CG-CD2 3.67Å; F26-L335 HydrophobicContact CZ-CD2 4.25Å; F26-I345 HydrophobicContact CB-CG1 4.36Å
27K74.6Confident75.9Confident85 Ų8565.5 Ų65.537%0.3734%0.339SS..Hα-helixtrans-64.7-49.2174.8-173.2179.5-176-179.80111.9K25 Y29 L30 D31 I345 N348K25-K27 VanDerWaalsContact C-N 3.26Å; K25-K27 PolarHBondContact O-N 3.38Å; K27-Y29 VanDerWaalsContact C-N 3.29Å; K27-Y29 PolarHBondContact O-N 3.33Å; K27-L30 VanDerWaalsContact O-CB 3.31Å; K27-L30 WeakPolarHBondContact O-CB 3.4Å; K27-L30 PolarHBondContact O-N 3.14Å; K27-L30 VanDerWaalsContact O-N 3.14Å; K27-D31 VanDerWaalsContact O-CG 3.32Å; K27-D31 PolarHBondContact O-N 3.32Å; K27-I345 HydrophobicContact CB-CG2 4.36Å; K27-I345 HydrophobicContact CG-CG2 4.38Å; K27-N348 WeakPolarHBondContact CD-OXT 3.24Å; K27-N348 PolarHBondContact NZ-OXT 3.23Å
28Q81.3Confident75.9Confident100 Ų10066.3 Ų66.347%0.46734%0.342SS..Hα-helixtrans-58.7-42.8175.4-178.2177.926.700111.6K25 L30 D31 D32K25-Q28 PolarHBondContact O-N 3.01Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-L30 PolarHBondContact O-N 3.01Å; Q28-D31 PolarHBondContact O-N 2.98Å; Q28-D32 VanDerWaalsContact O-CB 3.23Å; Q28-D32 WeakPolarHBondContact O-CB 3.24Å; Q28-D32 PolarHBondContact O-N 3.29Å
29Y80.1Confident76.1Confident24 Ų2471 Ų719%0.09436%0.364CS..Hα-helixtrans-62.9-40.4176.8175.5-98.4000112I21 K25 F26 K27 D32 C33 H328 F331 L335I21-Y29 HydrophobicContact CD1-CD1 4.46Å; I21-Y29 HydrophobicContact CD1-CD2 3.52Å; I21-Y29 HydrophobicContact CD1-CE1 4.24Å; I21-Y29 HydrophobicContact CD1-CE2 3.24Å; I21-Y29 HydrophobicContact CD1-CG 4.12Å; I21-Y29 HydrophobicContact CG1-CD2 3.97Å; I21-Y29 HydrophobicContact CG1-CE2 4.15Å; I21-Y29 HydrophobicContact CG2-CD2 4.23Å; I21-Y29 HydrophobicContact CG2-CG 3.97Å; K25-Y29 WeakPolarHBondContact O-CB 3.35Å; K25-Y29 PolarHBondContact O-N 3.05Å; F26-Y29 PolarHBondContact O-N 2.95Å; K27-Y29 VanDerWaalsContact C-N 3.29Å; K27-Y29 PolarHBondContact O-N 3.33Å; Y29-D32 PolarHBondContact O-N 3.44Å; Y29-C33 VanDerWaalsContact CZ-SG 3.54Å; Y29-C33 WeakPolarHBondContact O-CB 3.48Å; Y29-C33 PolarHBondContact O-N 3.03Å; Y29-C33 PolarHBondContact O-SG 3.31Å; Y29-H328 AromaticContact CE2-ND1 3.63Å; Y29-H328 AromaticContact CZ-ND1 3.57Å; Y29-H328 VanDerWaalsContact OH-CG 3.31Å; Y29-H328 PolarHBondContact OH-ND1 2.82Å; Y29-F331 HydrophobicContact CD1-CD1 4.42Å; Y29-F331 HydrophobicContact CD1-CE1 4.38Å; Y29-F331 HydrophobicContact CE1-CB 4.4Å; Y29-F331 AromaticContact CE1-CD1 3.44Å; Y29-F331 HydrophobicContact CE1-CD1 3.44Å; Y29-F331 VanDerWaalsContact CE1-CD1 3.44Å; Y29-F331 AromaticContact CE1-CE1 3.78Å; Y29-F331 HydrophobicContact CE1-CE1 3.78Å; Y29-F331 AromaticContact CE1-CG 3.98Å; Y29-F331 HydrophobicContact CE1-CG 3.98Å; Y29-F331 AromaticContact CZ-CD1 3.64Å; Y29-F331 VanDerWaalsContact OH-CD1 3.31Å; Y29-F331 WeakPolarHBondContact OH-CD1 3.39Å; Y29-L335 HydrophobicContact CD1-CD1 3.85Å; Y29-L335 HydrophobicContact CE1-CD1 4.26Å
30L73.4Confident76.8Confident34 Ų3470.3 Ų70.318%0.17835%0.354CS..Hα-helixtrans-58.6-51.7173.4-171.880.7000110.5F26 K27 Q28 D32 C33 L34 A332F26-L30 WeakPolarHBondContact O-CB 3.41Å; F26-L30 PolarHBondContact O-N 3.13Å; K27-L30 VanDerWaalsContact O-CB 3.31Å; K27-L30 WeakPolarHBondContact O-CB 3.4Å; K27-L30 PolarHBondContact O-N 3.14Å; K27-L30 VanDerWaalsContact O-N 3.14Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-L30 PolarHBondContact O-N 3.01Å; L30-D32 VanDerWaalsContact C-N 3.33Å; L30-D32 PolarHBondContact O-N 3.41Å; L30-C33 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CG-CD1 4.26Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.26Å; L30-A332 HydrophobicContact CD1-CB 3.71Å; L30-A332 WeakPolarHBondContact CD1-O 3.3Å
31D73.3Confident77.2Confident80 Ų8069.9 Ų69.943%0.42835%0.35SS..Hα-helixtrans-61.2-43.9-180-63.5-24.9000110.9K27 Q28 C33 L34 T35K27-D31 VanDerWaalsContact O-CG 3.32Å; K27-D31 PolarHBondContact O-N 3.32Å; Q28-D31 PolarHBondContact O-N 2.98Å; D31-C33 PolarHBondContact O-N 3.03Å; D31-L34 PolarHBondContact O-N 2.9Å; D31-L34 VanDerWaalsContact O-N 3.15Å; D31-T35 VanDerWaalsContact O-CB 3.3Å; D31-T35 WeakPolarHBondContact O-CB 3.14Å; D31-T35 WeakPolarHBondContact O-CG2 3.43Å; D31-T35 PolarHBondContact O-N 3.42Å; D31-T35 PolarHBondContact O-OG1 3.13Å
32D77.5Confident77.7Confident29 Ų2970.3 Ų70.316%0.15535%0.354CS..Hα-helixtrans-62.9-39.7179.6-77.1-18.6000112.8Q28 Y29 L30 L34 T35 R37Q28-D32 VanDerWaalsContact O-CB 3.23Å; Q28-D32 WeakPolarHBondContact O-CB 3.24Å; Q28-D32 PolarHBondContact O-N 3.29Å; Y29-D32 PolarHBondContact O-N 3.44Å; L30-D32 VanDerWaalsContact C-N 3.33Å; L30-D32 PolarHBondContact O-N 3.41Å; D32-L34 VanDerWaalsContact C-N 3.28Å; D32-L34 PolarHBondContact O-N 3.15Å; D32-T35 PolarHBondContact O-N 2.81Å; D32-R37 VanDerWaalsContact CG-NH1 3.31Å; D32-R37 IonicContact OD1-CZ 3.26Å; D32-R37 IonicContact OD1-NE 3.03Å; D32-R37 PolarHBondContact OD1-NE 2.96Å; D32-R37 IonicContact OD1-NH1 3.72Å; D32-R37 IonicContact OD1-NH2 2.79Å; D32-R37 PolarHBondContact OD1-NH2 2.61Å; D32-R37 IonicContact OD2-CZ 3.86Å; D32-R37 IonicContact OD2-NE 3.76Å; D32-R37 IonicContact OD2-NH1 3.46Å; D32-R37 PolarHBondContact OD2-NH1 3.34Å; D32-R37 IonicContact OD2-NH2 3.77Å; D32-R37 PolarHBondContact OD2-NH2 3.33Å
33C69.6Low78.2Confident30 Ų3071.3 Ų71.320%0.20336%0.359CS..Hα-helixtrans-66.7-31.9175.9-690000111.8Y29 L30 D31 A332Y29-C33 VanDerWaalsContact CZ-SG 3.54Å; Y29-C33 WeakPolarHBondContact O-CB 3.48Å; Y29-C33 PolarHBondContact O-N 3.03Å; Y29-C33 PolarHBondContact O-SG 3.31Å; L30-C33 PolarHBondContact O-N 3.48Å; D31-C33 PolarHBondContact O-N 3.03Å; C33-A332 HydrophobicContact CB-CB 4.28Å
34L63.5Low78.9Confident130 Ų13072.5 Ų72.568%0.68136%0.363SS*.Hα-helixtrans-85.1-19.9-179.8-64.3173.3000113.7L30 D31 D32L30-L34 HydrophobicContact CG-CD1 4.26Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.26Å; D31-L34 PolarHBondContact O-N 2.9Å; D31-L34 VanDerWaalsContact O-N 3.15Å; D32-L34 VanDerWaalsContact C-N 3.28Å; D32-L34 PolarHBondContact O-N 3.15Å
35T65.9Low79.7Confident96 Ų9670 Ų7059%0.58934%0.344SS*.THydrogen-bonded Turntrans-110.329.1-167.256.60000115.3D31 D32D31-T35 VanDerWaalsContact O-CB 3.3Å; D31-T35 WeakPolarHBondContact O-CB 3.14Å; D31-T35 WeakPolarHBondContact O-CG2 3.43Å; D31-T35 PolarHBondContact O-N 3.42Å; D31-T35 PolarHBondContact O-OG1 3.13Å; D32-T35 PolarHBondContact O-N 2.81Å
36N63.6Low80.3Confident140 Ų14070.7 Ų70.775%0.74935%0.349SS*.THydrogen-bonded Turntrans89.726.4164.8-141.716.7000117.1K38N36-K38 PolarHBondContact O-N 3.28Å
37R72.8Confident81.1Confident108 Ų10873.5 Ų73.541%0.40837%0.366SS..  trans-81.222.3172.4-68.1-163.3-175.91759.1115.4D32 Q39 L40 L41D32-R37 VanDerWaalsContact CG-NH1 3.31Å; D32-R37 IonicContact OD1-CZ 3.26Å; D32-R37 IonicContact OD1-NE 3.03Å; D32-R37 PolarHBondContact OD1-NE 2.96Å; D32-R37 IonicContact OD1-NH1 3.72Å; D32-R37 IonicContact OD1-NH2 2.79Å; D32-R37 PolarHBondContact OD1-NH2 2.61Å; D32-R37 IonicContact OD2-CZ 3.86Å; D32-R37 IonicContact OD2-NE 3.76Å; D32-R37 IonicContact OD2-NH1 3.46Å; D32-R37 PolarHBondContact OD2-NH1 3.34Å; D32-R37 IonicContact OD2-NH2 3.77Å; D32-R37 PolarHBondContact OD2-NH2 3.33Å; R37-Q39 PolarHBondContact O-N 2.9Å; R37-L40 HydrophobicContact CB-CD1 4.34Å; R37-L40 HydrophobicContact CG-CD1 4.18Å; R37-L40 PolarHBondContact O-N 3.23Å; R37-L40 VanDerWaalsContact O-N 3.14Å; R37-L41 PolarHBondContact O-N 2.96Å
38K81.4Confident82Confident112 Ų11269.5 Ų69.549%0.48735%0.349SS..Hα-helixtrans-53.9-42.3-177-69.1-169.5174.5-167.80111.9N36 L40 L41 V42 E329N36-K38 PolarHBondContact O-N 3.28Å; K38-L40 PolarHBondContact O-N 3.37Å; K38-L41 WeakPolarHBondContact O-CB 3.45Å; K38-L41 PolarHBondContact O-N 3.45Å; K38-L41 VanDerWaalsContact O-N 3.13Å; K38-V42 WeakPolarHBondContact O-CG2 3.18Å; K38-V42 PolarHBondContact O-N 3.28Å; K38-E329 IonicContact NZ-OE1 3.26Å
39Q86.3Confident82.7Confident118 Ų11866.7 Ų66.755%0.55134%0.34SS*.Hα-helixtrans-58.2-44.1179.8-175.557.931.400113.6R37 L41 V42 E43R37-Q39 PolarHBondContact O-N 2.9Å; Q39-L41 VanDerWaalsContact C-N 3.29Å; Q39-L41 PolarHBondContact O-N 2.81Å; Q39-V42 WeakPolarHBondContact O-CB 3.42Å; Q39-V42 PolarHBondContact O-N 3.23Å; Q39-E43 PolarHBondContact NE2-OE1 3.18Å; Q39-E43 WeakPolarHBondContact O-CG 3.38Å; Q39-E43 PolarHBondContact O-N 3.44Å
40L87.6Confident83.4Confident95 Ų9571 Ų7150%0.49736%0.359SS..Hα-helixtrans-65.1-34.8178.1-69.7168.9000111.9R37 K38 E43 Q44R37-L40 HydrophobicContact CB-CD1 4.34Å; R37-L40 HydrophobicContact CG-CD1 4.18Å; R37-L40 PolarHBondContact O-N 3.23Å; R37-L40 VanDerWaalsContact O-N 3.14Å; K38-L40 PolarHBondContact O-N 3.37Å; L40-E43 PolarHBondContact O-N 3.31Å; L40-Q44 WeakPolarHBondContact O-CB 3.39Å; L40-Q44 PolarHBondContact O-N 3.39Å
41L90.1Very high84.4Confident26 Ų2671.7 Ų71.714%0.13636%0.361CS..Hα-helixtrans-71.9-34.2176.1-61.9-177.6000112R37 K38 Q39 Q44 F45 L325 H328R37-L41 PolarHBondContact O-N 2.96Å; K38-L41 WeakPolarHBondContact O-CB 3.45Å; K38-L41 PolarHBondContact O-N 3.45Å; K38-L41 VanDerWaalsContact O-N 3.13Å; Q39-L41 VanDerWaalsContact C-N 3.29Å; Q39-L41 PolarHBondContact O-N 2.81Å; L41-Q44 PolarHBondContact O-N 2.78Å; L41-F45 PolarHBondContact O-N 3.42Å; L41-L325 HydrophobicContact CB-CD2 3.39Å; L41-L325 HydrophobicContact CD1-CD2 3.93Å; L41-L325 HydrophobicContact CG-CD2 4.31Å; L41-H328 HydrophobicContact CD1-CB 3.97Å; L41-H328 WeakPolarHBondContact CD2-CE1 3.09Å; L41-H328 WeakPolarHBondContact CD2-ND1 3.22Å
42V91.9Very high85.4Confident30 Ų3068.2 Ų68.218%0.18234%0.343CS..Hα-helixtrans-62.1-47.8171.2175.90000110.5K38 Q39 Q44 F45 Q46 T321 L325K38-V42 WeakPolarHBondContact O-CG2 3.18Å; K38-V42 PolarHBondContact O-N 3.28Å; Q39-V42 WeakPolarHBondContact O-CB 3.42Å; Q39-V42 PolarHBondContact O-N 3.23Å; V42-Q44 VanDerWaalsContact C-N 3.32Å; V42-Q44 PolarHBondContact O-N 3.05Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-Q46 WeakPolarHBondContact O-CG 3.49Å; V42-Q46 PolarHBondContact O-N 3.32Å; V42-T321 HydrophobicContact CB-CG2 4.24Å; V42-T321 HydrophobicContact CG1-CG2 4.11Å; V42-T321 HydrophobicContact CG2-CG2 3.68Å; V42-L325 HydrophobicContact CG2-CD1 4.42Å
43E92.4Very high86.1Confident84 Ų8472.7 Ų72.739%0.39336%0.358SS..Hα-helixtrans-62.9-38.1177.2-71.7167-162.800112.2Q39 L40 Q46 T47Q39-E43 PolarHBondContact NE2-OE1 3.18Å; Q39-E43 WeakPolarHBondContact O-CG 3.38Å; Q39-E43 PolarHBondContact O-N 3.44Å; L40-E43 PolarHBondContact O-N 3.31Å; E43-Q46 PolarHBondContact O-N 3.16Å; E43-T47 PolarHBondContact O-N 3.42Å; E43-T47 PolarHBondContact O-OG1 3.08Å
44Q92.2Very high87.3Confident38 Ų3874.7 Ų74.718%0.17837%0.365CS..Hα-helixtrans-61-45.6172.8-178.5173.778.800111.3F18 L40 L41 V42 T47 I48 P304 Y324 H328F18-Q44 HydrophobicContact CD1-CG 3.84Å; F18-Q44 HydrophobicContact CE1-CG 3.8Å; L40-Q44 WeakPolarHBondContact O-CB 3.39Å; L40-Q44 PolarHBondContact O-N 3.39Å; L41-Q44 PolarHBondContact O-N 2.78Å; V42-Q44 VanDerWaalsContact C-N 3.32Å; V42-Q44 PolarHBondContact O-N 3.05Å; Q44-T47 WeakPolarHBondContact O-CB 3.43Å; Q44-T47 PolarHBondContact O-N 3.4Å; Q44-I48 HydrophobicContact CG-CD1 4.43Å; Q44-I48 WeakPolarHBondContact O-CG1 3.47Å; Q44-I48 PolarHBondContact O-N 3.36Å; Q44-P304 HydrophobicContact CG-CG 4.1Å; Q44-Y324 VanDerWaalsContact CD-OH 3.29Å; Q44-Y324 HydrophobicContact CG-CE1 4.35Å; Q44-Y324 PolarHBondContact OE1-OH 3.43Å; Q44-H328 PolarHBondContact OE1-CE1 3.26Å; Q44-H328 PolarHBondContact OE1-NE2 2.71Å
45F94.8Very high88.6Confident8 Ų869.7 Ų69.74%0.03534%0.339CS..Hα-helixtrans-64.7-40.6177.8-173.2-116.7000112.7L41 V42 T47 I48 C49 V318 T321 Y324L41-F45 PolarHBondContact O-N 3.42Å; V42-F45 PolarHBondContact O-N 2.91Å; F45-T47 VanDerWaalsContact C-N 3.26Å; F45-T47 PolarHBondContact O-N 3.08Å; F45-I48 HydrophobicContact CD2-CD1 4.47Å; F45-I48 WeakPolarHBondContact O-CB 3.46Å; F45-I48 PolarHBondContact O-N 2.87Å; F45-I48 VanDerWaalsContact O-N 3.13Å; F45-C49 PolarHBondContact O-N 3.48Å; F45-C49 PolarHBondContact O-SG 3.41Å; F45-C49 VanDerWaalsContact O-SG 3.41Å; F45-V318 HydrophobicContact CE2-CG1 4.14Å; F45-V318 WeakPolarHBondContact CE2-O 3.29Å; F45-V318 VanDerWaalsContact CZ-O 3.26Å; F45-V318 WeakPolarHBondContact CZ-O 3.48Å; F45-T321 HydrophobicContact CD1-CG2 4.39Å; F45-T321 WeakPolarHBondContact CD1-OG1 3.43Å; F45-Y324 HydrophobicContact CB-CD1 3.7Å; F45-Y324 HydrophobicContact CB-CE1 4.2Å; F45-Y324 HydrophobicContact CB-CG 3.96Å; F45-Y324 VanDerWaalsContact CD2-CB 3.48Å; F45-Y324 HydrophobicContact CD2-CD1 4.05Å; F45-Y324 AromaticContact CD2-CD2 3.53Å; F45-Y324 HydrophobicContact CD2-CD2 3.53Å; F45-Y324 HydrophobicContact CD2-CE2 4.27Å; F45-Y324 AromaticContact CD2-CG 3.4Å; F45-Y324 HydrophobicContact CD2-CG 3.4Å; F45-Y324 HydrophobicContact CE2-CD2 4.1Å; F45-Y324 HydrophobicContact CE2-CG 4.14Å; F45-Y324 HydrophobicContact CG-CD1 4.16Å; F45-Y324 HydrophobicContact CG-CD2 4.43Å; F45-Y324 AromaticContact CG-CG 3.89Å; F45-Y324 HydrophobicContact CG-CG 3.89Å
46Q95.2Very high89.9Confident117 Ų11766 Ų6655%0.54731%0.314SS..Hα-helixtrans-58.4-41.2172.2-70.3172.5-10.900111.6V42 E43 C49 F50V42-Q46 WeakPolarHBondContact O-CG 3.49Å; V42-Q46 PolarHBondContact O-N 3.32Å; E43-Q46 PolarHBondContact O-N 3.16Å; Q46-C49 PolarHBondContact O-N 3.42Å; Q46-F50 PolarHBondContact O-N 2.86Å
47T94.8Very high91.3Very high60 Ų6065.4 Ų65.437%0.36831%0.305SS..Hα-helixtrans-64.6-40.3175.7-55.20000111.6F18 E43 Q44 F45 F50 K51F18-T47 HydrophobicContact CE1-CG2 3.73Å; F18-T47 HydrophobicContact CZ-CG2 3.76Å; E43-T47 PolarHBondContact O-N 3.42Å; E43-T47 PolarHBondContact O-OG1 3.08Å; Q44-T47 WeakPolarHBondContact O-CB 3.43Å; Q44-T47 PolarHBondContact O-N 3.4Å; F45-T47 VanDerWaalsContact C-N 3.26Å; F45-T47 PolarHBondContact O-N 3.08Å; T47-F50 PolarHBondContact O-N 3.35Å; T47-K51 HydrophobicContact CG2-CG 4.21Å; T47-K51 WeakPolarHBondContact O-CB 3.35Å; T47-K51 VanDerWaalsContact O-CG 3.31Å; T47-K51 WeakPolarHBondContact O-CG 3.4Å; T47-K51 PolarHBondContact O-N 3.24Å
48I95Very high92.2Very high0 Ų065.2 Ų65.20%032%0.317CS..Hα-helixtrans-59-48.1174.3-68.9167.4000110.3F18 Q44 F45 F50 K51 S52 P304 V307 L308 Y324F18-I48 HydrophobicContact CE1-CG1 4.17Å; F18-I48 HydrophobicContact CE2-CG1 3.76Å; F18-I48 HydrophobicContact CZ-CB 4.39Å; F18-I48 HydrophobicContact CZ-CG1 3.42Å; F18-I48 VanDerWaalsContact CZ-CG1 3.42Å; Q44-I48 HydrophobicContact CG-CD1 4.43Å; Q44-I48 WeakPolarHBondContact O-CG1 3.47Å; Q44-I48 PolarHBondContact O-N 3.36Å; F45-I48 HydrophobicContact CD2-CD1 4.47Å; F45-I48 WeakPolarHBondContact O-CB 3.46Å; F45-I48 PolarHBondContact O-N 2.87Å; F45-I48 VanDerWaalsContact O-N 3.13Å; I48-F50 VanDerWaalsContact C-N 3.34Å; I48-F50 PolarHBondContact O-N 3.09Å; I48-K51 PolarHBondContact O-N 3.39Å; I48-S52 WeakPolarHBondContact O-CB 3.48Å; I48-S52 PolarHBondContact O-N 3.21Å; I48-S52 PolarHBondContact O-OG 2.95Å; I48-P304 HydrophobicContact CD1-CB 3.8Å; I48-P304 HydrophobicContact CG1-CB 4.16Å; I48-V307 HydrophobicContact CG2-CB 4.42Å; I48-V307 HydrophobicContact CG2-CG1 3.84Å; I48-L308 HydrophobicContact CB-CD2 4.43Å; I48-L308 HydrophobicContact CG2-CD2 3.86Å; I48-L308 HydrophobicContact CG2-CG 4.16Å; I48-L308 WeakPolarHBondContact O-CD2 3.4Å; I48-Y324 HydrophobicContact CD1-CD2 4.18Å; I48-Y324 HydrophobicContact CD1-CE1 4.43Å; I48-Y324 HydrophobicContact CD1-CE2 3.32Å; I48-Y324 VanDerWaalsContact CD1-CZ 3.49Å; I48-Y324 WeakPolarHBondContact CD1-OH 3.49Å
49C95.2Very high92.7Very high41 Ų4160.5 Ų60.528%0.27730%0.297SS..Hα-helixtrans-60.8-41.3178.7-68.70000112.4F45 Q46 S52 Y53F45-C49 PolarHBondContact O-N 3.48Å; F45-C49 PolarHBondContact O-SG 3.41Å; F45-C49 VanDerWaalsContact O-SG 3.41Å; Q46-C49 PolarHBondContact O-N 3.42Å; C49-S52 PolarHBondContact O-OG 2.98Å; C49-Y53 PolarHBondContact O-N 3.39Å
50F95.1Very high93Very high116 Ų11661 Ų6151%0.50930%0.299SS..Hα-helixtrans-66.4-46.7175.8179-99.1000111.8Q46 T47 I48 S52 Y53 E54Q46-F50 PolarHBondContact O-N 2.86Å; T47-F50 PolarHBondContact O-N 3.35Å; I48-F50 VanDerWaalsContact C-N 3.34Å; I48-F50 PolarHBondContact O-N 3.09Å; F50-S52 PolarHBondContact O-N 3.18Å; F50-Y53 PolarHBondContact O-N 2.93Å; F50-E54 HydrophobicContact CD1-CG 4.45Å; F50-E54 VanDerWaalsContact CE1-CD 3.4Å; F50-E54 HydrophobicContact CE1-CG 3.99Å; F50-E54 WeakPolarHBondContact CE1-OE1 3.36Å; F50-E54 HydrophobicContact CZ-CG 4.22Å; F50-E54 WeakPolarHBondContact CZ-OE1 3.46Å; F50-E54 PolarHBondContact O-N 3.49Å; F50-E54 VanDerWaalsContact O-N 3.14Å
51K94.5Very high93.3Very high47 Ų4757.3 Ų57.320%0.20428%0.279CS..Hα-helixtrans-66.4-33.7179.6-72.3-62177.7-168.90113.1F17 T47 I48 Y53 E54 L55 L308F17-K51 HydrophobicContact CD2-CD 4.3Å; F17-K51 HydrophobicContact CD2-CG 4.3Å; F17-K51 HydrophobicContact CE2-CD 4.41Å; F17-K51 HydrophobicContact CG-CD 4.37Å; T47-K51 HydrophobicContact CG2-CG 4.21Å; T47-K51 WeakPolarHBondContact O-CB 3.35Å; T47-K51 VanDerWaalsContact O-CG 3.31Å; T47-K51 WeakPolarHBondContact O-CG 3.4Å; T47-K51 PolarHBondContact O-N 3.24Å; I48-K51 PolarHBondContact O-N 3.39Å; K51-Y53 VanDerWaalsContact C-N 3.3Å; K51-Y53 PolarHBondContact O-N 3.42Å; K51-E54 WeakPolarHBondContact CD-OE2 3.37Å; K51-E54 WeakPolarHBondContact CE-OE2 3.45Å; K51-E54 IonicContact NZ-OE2 2.67Å; K51-E54 PolarHBondContact NZ-OE2 2.95Å; K51-E54 PolarHBondContact O-N 2.95Å; K51-L55 WeakPolarHBondContact O-CB 3.42Å; K51-L55 WeakPolarHBondContact O-CG 3.25Å; K51-L55 PolarHBondContact O-N 2.95Å; K51-L308 HydrophobicContact CB-CD1 4.39Å; K51-L308 HydrophobicContact CB-CD2 3.9Å
52S93.8Very high93.3Very high7 Ų757.5 Ų57.55%0.04928%0.282CS..Hα-helixtrans-62.3-40.6174.766.20000111.3I48 C49 F50 L55 E56I48-S52 WeakPolarHBondContact O-CB 3.48Å; I48-S52 PolarHBondContact O-N 3.21Å; I48-S52 PolarHBondContact O-OG 2.95Å; C49-S52 PolarHBondContact O-OG 2.98Å; F50-S52 PolarHBondContact O-N 3.18Å; S52-L55 PolarHBondContact O-N 3.44Å; S52-E56 WeakPolarHBondContact O-CG 3.4Å; S52-E56 PolarHBondContact O-N 2.86Å
53Y92.9Very high93.2Very high123 Ų12358.5 Ų58.548%0.48228%0.283SS..Hα-helixtrans-68.4-36.3176.9-176.9-111.7000113.2C49 F50 K51 K57C49-Y53 PolarHBondContact O-N 3.39Å; F50-Y53 PolarHBondContact O-N 2.93Å; K51-Y53 VanDerWaalsContact C-N 3.3Å; K51-Y53 PolarHBondContact O-N 3.42Å; Y53-K57 HydrophobicContact CE1-CD 4.32Å; Y53-K57 PolarHBondContact O-N 3.45Å; Y53-K57 WeakPolarHBondContact OH-CE 3.26Å; Y53-K57 PolarHBondContact OH-NZ 3.18Å; Y53-K57 VanDerWaalsContact OH-NZ 3.15Å
54E93.9Very high93Very high72 Ų7259.8 Ų59.834%0.33629%0.288SS..Hα-helixtrans-62-45.2170.5-70.2-171.5149.300111.3F50 K51 E56 K57 T58F50-E54 HydrophobicContact CD1-CG 4.45Å; F50-E54 VanDerWaalsContact CE1-CD 3.4Å; F50-E54 HydrophobicContact CE1-CG 3.99Å; F50-E54 WeakPolarHBondContact CE1-OE1 3.36Å; F50-E54 HydrophobicContact CZ-CG 4.22Å; F50-E54 WeakPolarHBondContact CZ-OE1 3.46Å; F50-E54 PolarHBondContact O-N 3.49Å; F50-E54 VanDerWaalsContact O-N 3.14Å; K51-E54 WeakPolarHBondContact CD-OE2 3.37Å; K51-E54 WeakPolarHBondContact CE-OE2 3.45Å; K51-E54 IonicContact NZ-OE2 2.67Å; K51-E54 PolarHBondContact NZ-OE2 2.95Å; K51-E54 PolarHBondContact O-N 2.95Å; E54-E56 PolarHBondContact O-N 3.34Å; E54-K57 WeakPolarHBondContact O-CB 3.35Å; E54-K57 PolarHBondContact O-N 2.69Å; E54-T58 PolarHBondContact O-N 3.21Å; E54-T58 PolarHBondContact O-OG1 2.89Å; E54-T58 VanDerWaalsContact O-OG1 3.12Å
55L92.2Very high92.6Very high26 Ų2658.3 Ų58.314%0.13628%0.283CS..Hα-helixtrans-64.5-36.5178.9-75.6173.5000112.9K51 S52 K57 T58 N59 L308 L312K51-L55 WeakPolarHBondContact O-CB 3.42Å; K51-L55 WeakPolarHBondContact O-CG 3.25Å; K51-L55 PolarHBondContact O-N 2.95Å; S52-L55 PolarHBondContact O-N 3.44Å; L55-K57 VanDerWaalsContact C-N 3.29Å; L55-K57 PolarHBondContact O-N 3.5Å; L55-T58 PolarHBondContact O-N 3.28Å; L55-N59 VanDerWaalsContact O-CB 3.24Å; L55-N59 WeakPolarHBondContact O-CB 3.39Å; L55-N59 PolarHBondContact O-N 3.1Å; L55-N59 PolarHBondContact O-ND2 2.81Å; L55-L308 HydrophobicContact CD1-CD2 4.3Å; L55-L312 HydrophobicContact CB-CD2 3.65Å; L55-L312 HydrophobicContact CD1-CD2 4.09Å; L55-L312 HydrophobicContact CD1-CG 4.43Å; L55-L312 HydrophobicContact CG-CD2 4.35Å
56E92.4Very high92.2Very high17 Ų1757.9 Ų57.98%0.07928%0.281CS..Hα-helixtrans-56.8-45172.5-77.5169.7-137.800111S52 E54 E60 L61 Y63 Y315S52-E56 WeakPolarHBondContact O-CG 3.4Å; S52-E56 PolarHBondContact O-N 2.86Å; E54-E56 PolarHBondContact O-N 3.34Å; E56-E60 PolarHBondContact O-N 3.49Å; E56-E60 VanDerWaalsContact O-N 3.12Å; E56-L61 HydrophobicContact CB-CB 4.41Å; E56-L61 HydrophobicContact CB-CD1 4.46Å; E56-L61 HydrophobicContact CG-CD1 4.04Å; E56-L61 PolarHBondContact O-N 3.33Å; E56-Y63 VanDerWaalsContact CD-OH 3.26Å; E56-Y63 PolarHBondContact OE2-OH 3.29Å; E56-Y315 WeakPolarHBondContact OE1-CE2 3.31Å
57K92.6Very high91.6Very high128 Ų12858 Ų5856%0.55729%0.289SS*.Hα-helixtrans-68.3-48.3177.3-67.6-179.9179.7178.80112.2Y53 E54 L55 N59 E60Y53-K57 HydrophobicContact CE1-CD 4.32Å; Y53-K57 PolarHBondContact O-N 3.45Å; Y53-K57 WeakPolarHBondContact OH-CE 3.26Å; Y53-K57 PolarHBondContact OH-NZ 3.18Å; Y53-K57 VanDerWaalsContact OH-NZ 3.15Å; E54-K57 WeakPolarHBondContact O-CB 3.35Å; E54-K57 PolarHBondContact O-N 2.69Å; L55-K57 VanDerWaalsContact C-N 3.29Å; L55-K57 PolarHBondContact O-N 3.5Å; K57-N59 VanDerWaalsContact C-N 3.25Å; K57-N59 PolarHBondContact O-N 3.05Å; K57-E60 PolarHBondContact O-N 3.01Å; K57-E60 VanDerWaalsContact O-N 3.15Å
58T93Very high91Very high105 Ų10558.7 Ų58.764%0.64429%0.288SS*.Hα-helixtrans-63.2-33.4-178.4-59.30000112.2E54 L55E54-T58 PolarHBondContact O-N 3.21Å; E54-T58 PolarHBondContact O-OG1 2.89Å; E54-T58 VanDerWaalsContact O-OG1 3.12Å; L55-T58 PolarHBondContact O-N 3.28Å
59N91.9Very high90.4Very high13 Ų1364.5 Ų64.57%0.0733%0.326CS..THydrogen-bonded Turntrans-93.14.7178.1-69.2-55.3000114.1R10 L11 L55 K57 L61R10-N59 WeakPolarHBondContact CB-OD1 3.26Å; R10-N59 PolarHBondContact NH1-O 2.59Å; R10-N59 PolarHBondContact NH2-O 2.67Å; R10-N59 PolarHBondContact O-OD1 2.91Å; L11-N59 HydrophobicContact CD2-CB 3.88Å; L55-N59 VanDerWaalsContact O-CB 3.24Å; L55-N59 WeakPolarHBondContact O-CB 3.39Å; L55-N59 PolarHBondContact O-N 3.1Å; L55-N59 PolarHBondContact O-ND2 2.81Å; K57-N59 VanDerWaalsContact C-N 3.25Å; K57-N59 PolarHBondContact O-N 3.05Å; N59-L61 VanDerWaalsContact C-N 3.25Å; N59-L61 HydrophobicContact CB-CD2 4.2Å; N59-L61 HydrophobicContact CB-CG 4.06Å; N59-L61 PolarHBondContact O-N 3.38Å
60E92.4Very high89.9Confident128 Ų12867.7 Ų67.760%0.59834%0.337SS*.THydrogen-bonded Turntrans5343.8178.8-55.1163.2152.100112R10 E56 K57 Q78R10-E60 IonicContact CZ-OE2 3.66Å; R10-E60 IonicContact NH1-OE2 2.82Å; R10-E60 PolarHBondContact NH1-OE2 3.24Å; R10-E60 IonicContact NH2-OE2 3.34Å; E56-E60 PolarHBondContact O-N 3.49Å; E56-E60 VanDerWaalsContact O-N 3.12Å; K57-E60 PolarHBondContact O-N 3.01Å; K57-E60 VanDerWaalsContact O-N 3.15Å; E60-Q78 PolarHBondContact O-NE2 2.82Å
61L92.1Very high89.4Confident17 Ų1763.2 Ų63.29%0.08932%0.318CS..  trans-71.2138.5178.3-60.7-174.2000110.3L11 E56 N59 Q78 L312L11-L61 HydrophobicContact CD2-CD2 3.78Å; E56-L61 HydrophobicContact CB-CB 4.41Å; E56-L61 HydrophobicContact CB-CD1 4.46Å; E56-L61 HydrophobicContact CG-CD1 4.04Å; E56-L61 PolarHBondContact O-N 3.33Å; N59-L61 VanDerWaalsContact C-N 3.25Å; N59-L61 HydrophobicContact CB-CD2 4.2Å; N59-L61 HydrophobicContact CB-CG 4.06Å; N59-L61 PolarHBondContact O-N 3.38Å; L61-Q78 HydrophobicContact CD2-CB 4.05Å; L61-Q78 HydrophobicContact CD2-CG 3.86Å; L61-L312 HydrophobicContact CD1-CD2 4.37Å; L61-L312 WeakPolarHBondContact CD1-O 3.48Å
62T91.1Very high88.6Confident31 Ų3165.7 Ų65.719%0.1933%0.327CS..  trans-129.4168.1-175.3610000111.2H76 D77 Q78T62-H76 CarbonylContact O-C 3.56Å; T62-H76 WeakPolarHBondContact O-CA 3.32Å; T62-D77 VanDerWaalsContact C-OD2 3.22Å; T62-D77 VanDerWaalsContact CB-OD2 3.3Å; T62-D77 WeakPolarHBondContact CB-OD2 3.23Å; T62-D77 PolarHBondContact O-N 3.41Å; T62-D77 PolarHBondContact OG1-OD2 3.02Å; T62-Q78 PolarHBondContact OG1-NE2 3.33Å
63Y90.1Very high88.1Confident50 Ų5068.4 Ų68.420%0.19634%0.337CS..  trans-136.623.4-174.8-56.1-87.6000112.4E56 A65 A66 L74 N75 H76 D77 Y315E56-Y63 VanDerWaalsContact CD-OH 3.26Å; E56-Y63 PolarHBondContact OE2-OH 3.29Å; Y63-A65 VanDerWaalsContact C-N 3.3Å; Y63-A65 PolarHBondContact O-N 3.42Å; Y63-A66 PolarHBondContact O-N 3.41Å; Y63-A66 VanDerWaalsContact O-N 3.08Å; Y63-L74 HydrophobicContact CD1-CB 3.39Å; Y63-L74 HydrophobicContact CD1-CD1 4.41Å; Y63-L74 HydrophobicContact CE1-CB 4.12Å; Y63-L74 HydrophobicContact CG-CB 3.86Å; Y63-L74 HydrophobicContact CG-CD1 4.09Å; Y63-N75 WeakPolarHBondContact CD1-O 3.39Å; Y63-H76 AromaticContact CD1-CD2 3.95Å; Y63-H76 AromaticContact CE1-CD2 3.16Å; Y63-H76 WeakPolarHBondContact CE1-CD2 3.14Å; Y63-H76 AromaticContact CE1-NE2 3.6Å; Y63-H76 AromaticContact CZ-CD2 3.43Å; Y63-H76 VanDerWaalsContact CZ-CD2 3.43Å; Y63-H76 AromaticContact CZ-NE2 3.54Å; Y63-H76 PolarHBondContact OH-CD2 3.3Å; Y63-H76 PolarHBondContact OH-NE2 2.86Å; Y63-D77 PolarHBondContact N-OD2 2.88Å; Y63-Y315 HydrophobicContact CE1-CD2 4.16Å; Y63-Y315 HydrophobicContact CE1-CG 4.28Å; Y63-Y315 WeakPolarHBondContact OH-CD2 3.32Å; Y63-Y315 WeakPolarHBondContact OH-CE2 3.25Å
64H87.5Confident87.6Confident111 Ų11166.6 Ų66.651%0.51434%0.335SS..THydrogen-bonded Turntrans-63.4-31.8-169-62-51.3000113.4A66 V67 D77 L101H64-A66 VanDerWaalsContact C-N 3.33Å; H64-V67 WeakPolarHBondContact O-CG1 3.16Å; H64-D77 WeakPolarHBondContact CB-OD2 3.31Å; H64-D77 IonicContact CD2-OD2 3.75Å; H64-D77 IonicContact CG-OD2 3.53Å; H64-D77 VanDerWaalsContact N-CG 3.35Å; H64-D77 PolarHBondContact N-OD1 3.34Å; H64-D77 PolarHBondContact N-OD2 2.68Å; H64-L101 HydrophobicContact CB-CD2 4.26Å
65A84.5Confident87.2Confident7 Ų763.1 Ų63.16%0.05832%0.319CS..THydrogen-bonded Turntrans-77.7-21.6177.100000112.5Y63 V67 D77 L101 Y104Y63-A65 VanDerWaalsContact C-N 3.3Å; Y63-A65 PolarHBondContact O-N 3.42Å; A65-V67 PolarHBondContact O-N 3.02Å; A65-D77 WeakPolarHBondContact CB-OD1 3.34Å; A65-D77 PolarHBondContact N-OD1 3Å; A65-L101 HydrophobicContact CB-CD2 4.1Å; A65-Y104 HydrophobicContact CB-CD2 3.84Å; A65-Y104 HydrophobicContact CB-CE2 4.19Å; A65-Y104 VanDerWaalsContact O-CD2 3.3Å; A65-Y104 WeakPolarHBondContact O-CD2 3.39Å; A65-Y104 WeakPolarHBondContact O-CE2 3.37Å
66A86.4Confident87.1Confident0 Ų061.9 Ų61.90%031%0.312CS..  trans-82.830.3-168.300000115.2Y63 H64 H68 N71 L74 N75 Y104Y63-A66 PolarHBondContact O-N 3.41Å; Y63-A66 VanDerWaalsContact O-N 3.08Å; H64-A66 VanDerWaalsContact C-N 3.33Å; A66-H68 VanDerWaalsContact C-N 3.32Å; A66-H68 PolarHBondContact O-N 3.02Å; A66-N71 PolarHBondContact O-ND2 3.32Å; A66-N71 VanDerWaalsContact O-ND2 3.11Å; A66-L74 HydrophobicContact CB-CB 3.9Å; A66-L74 HydrophobicContact CB-CD2 3.88Å; A66-L74 HydrophobicContact CB-CG 4.5Å; A66-L74 WeakPolarHBondContact O-CD2 3.47Å; A66-N75 WeakPolarHBondContact CB-OD1 3.36Å; A66-Y104 WeakPolarHBondContact CA-OH 3.5Å; A66-Y104 HydrophobicContact CB-CE2 4.2Å
67V81.5Confident87.1Confident118 Ų11861.1 Ų61.172%0.71531%0.308SS*.  trans-79.7-1.8-166.4-66.20000115.8H64 A65H64-V67 WeakPolarHBondContact O-CG1 3.16Å; A65-V67 PolarHBondContact O-N 3.02Å
68H82.5Confident87Confident76 Ų7655.5 Ų55.535%0.35228%0.284SS..  trans-68.3126-176.8-169.8-82.1000110.9A66 Q70 N71 Q140A66-H68 VanDerWaalsContact C-N 3.32Å; A66-H68 PolarHBondContact O-N 3.02Å; H68-Q70 PolarHBondContact ND1-N 3.49Å; H68-Q70 PolarHBondContact O-N 3.21Å; H68-Q70 VanDerWaalsContact O-N 3.12Å; H68-N71 VanDerWaalsContact O-CB 3.23Å; H68-N71 WeakPolarHBondContact O-CB 3.34Å; H68-N71 PolarHBondContact O-N 2.9Å; H68-N71 PolarHBondContact O-ND2 2.99Å; H68-Q140 PolarHBondContact CE1-NE2 2.92Å
69P83.4Confident87Confident122 Ų12250.6 Ų50.679%0.79225%0.254SS*.THydrogen-bonded Turntrans-67.8-18.4-170.325.6-35.5000114.5
70Q83.8Confident87Confident108 Ų10850 Ų5051%0.50525%0.251SS..THydrogen-bonded Turntrans-92.53.5175.9-57.5179.1-25.200113.4H68 Y72 L138H68-Q70 PolarHBondContact ND1-N 3.49Å; H68-Q70 PolarHBondContact O-N 3.21Å; H68-Q70 VanDerWaalsContact O-N 3.12Å; Q70-Y72 PolarHBondContact O-N 2.81Å; Q70-L138 HydrophobicContact CB-CD1 3.72Å
71N84.6Confident87Confident22 Ų2243.9 Ų43.912%0.11822%0.222CC..  trans-65.5126.6169.1-74.8-21.1000108.9A66 H68 Y73 Y104 N106A66-N71 PolarHBondContact O-ND2 3.32Å; A66-N71 VanDerWaalsContact O-ND2 3.11Å; H68-N71 VanDerWaalsContact O-CB 3.23Å; H68-N71 WeakPolarHBondContact O-CB 3.34Å; H68-N71 PolarHBondContact O-N 2.9Å; H68-N71 PolarHBondContact O-ND2 2.99Å; N71-Y73 VanDerWaalsContact C-N 3.3Å; N71-Y73 PolarHBondContact O-N 2.93Å; N71-Y104 PolarHBondContact ND2-OH 3.31Å; N71-N106 WeakPolarHBondContact CB-ND2 3.33Å; N71-N106 VanDerWaalsContact CG-ND2 3.29Å; N71-N106 PolarHBondContact OD1-ND2 3.34Å
72Y78.6Confident87Confident98 Ų9843.4 Ų43.438%0.38422%0.22SC..SBendtrans-61.3-41.6174.8-81-84.5000111.9Q70 I170 S275 A276Q70-Y72 PolarHBondContact O-N 2.81Å; Y72-I170 WeakPolarHBondContact OH-CA 3.32Å; Y72-S275 WeakPolarHBondContact CE2-OG 3.12Å; Y72-S275 PolarHBondContact OH-OG 3.11Å; Y72-A276 HydrophobicContact CG-CB 4.25Å
73Y81.8Confident86.9Confident64 Ų6442.5 Ų42.525%0.25121%0.214SC..SBendtrans-137.7155.5172.8-69.3-85.2000110.1N71 N106 A276 V278 Y315 E319N71-Y73 VanDerWaalsContact C-N 3.3Å; N71-Y73 PolarHBondContact O-N 2.93Å; Y73-N106 PolarHBondContact O-ND2 3.03Å; Y73-A276 HydrophobicContact CD2-CB 3.52Å; Y73-A276 HydrophobicContact CE2-CB 3.53Å; Y73-V278 HydrophobicContact CD2-CG1 4.21Å; Y73-V278 HydrophobicContact CD2-CG2 3.87Å; Y73-V278 HydrophobicContact CE2-CG2 3.66Å; Y73-Y315 AromaticContact CD1-CD1 3.69Å; Y73-Y315 HydrophobicContact CD1-CD1 3.69Å; Y73-Y315 AromaticContact CD1-CE1 3.81Å; Y73-Y315 HydrophobicContact CD1-CE1 3.81Å; Y73-Y315 HydrophobicContact CE1-CD1 4.45Å; Y73-Y315 HydrophobicContact CE1-CE1 4.27Å; Y73-Y315 HydrophobicContact CG-CD1 4.31Å; Y73-E319 PolarHBondContact OH-OE1 2.87Å
74L84Confident86.7Confident85 Ų8540.5 Ų40.545%0.44521%0.206SC..PPolyproline II helixtrans-71.3142166-52.1179.5000109.6Y63 A66Y63-L74 HydrophobicContact CD1-CB 3.39Å; Y63-L74 HydrophobicContact CD1-CD1 4.41Å; Y63-L74 HydrophobicContact CE1-CB 4.12Å; Y63-L74 HydrophobicContact CG-CB 3.86Å; Y63-L74 HydrophobicContact CG-CD1 4.09Å; A66-L74 HydrophobicContact CB-CB 3.9Å; A66-L74 HydrophobicContact CB-CD2 3.88Å; A66-L74 HydrophobicContact CB-CG 4.5Å; A66-L74 WeakPolarHBondContact O-CD2 3.47Å
75N85.6Confident86.2Confident0 Ų038.9 Ų38.90%020%0.201CC..PPolyproline II helixtrans-101.2147.517255-37.3000111.7Y63 A66 D77 Y104 I105 A107 N108Y63-N75 WeakPolarHBondContact CD1-O 3.39Å; A66-N75 WeakPolarHBondContact CB-OD1 3.36Å; N75-D77 PolarHBondContact O-N 2.79Å; N75-Y104 VanDerWaalsContact OD1-CE2 3.28Å; N75-Y104 WeakPolarHBondContact OD1-CE2 3.45Å; N75-Y104 PolarHBondContact OD1-OH 3.19Å; N75-I105 PolarHBondContact ND2-O 2.92Å; N75-A107 PolarHBondContact ND2-O 3.26Å; N75-N108 WeakPolarHBondContact CB-OD1 3.3Å
76H90.3Very high85.3Confident0 Ų041.6 Ų41.60%022%0.217CC..PPolyproline II helixtrans-62.7129.5175-61.9159.9000110.5T62 Y63 Q78 R80 N108 R311 L312 Y315T62-H76 CarbonylContact O-C 3.56Å; T62-H76 WeakPolarHBondContact O-CA 3.32Å; Y63-H76 AromaticContact CD1-CD2 3.95Å; Y63-H76 AromaticContact CE1-CD2 3.16Å; Y63-H76 WeakPolarHBondContact CE1-CD2 3.14Å; Y63-H76 AromaticContact CE1-NE2 3.6Å; Y63-H76 AromaticContact CZ-CD2 3.43Å; Y63-H76 VanDerWaalsContact CZ-CD2 3.43Å; Y63-H76 AromaticContact CZ-NE2 3.54Å; Y63-H76 PolarHBondContact OH-CD2 3.3Å; Y63-H76 PolarHBondContact OH-NE2 2.86Å; H76-Q78 VanDerWaalsContact C-N 3.3Å; H76-Q78 PolarHBondContact O-N 2.76Å; H76-R80 PolarHBondContact O-N 3.19Å; H76-N108 PolarHBondContact O-ND2 2.88Å; H76-R311 PolarHBondContact CE1-O 3.29Å; H76-L312 PolarHBondContact CE1-O 3.27Å; H76-L312 PolarHBondContact ND1-O 3.15Å; H76-Y315 AromaticContact NE2-CD2 3.96Å
77D90.4Very high84.5Confident0 Ų048.5 Ų48.50%026%0.255CS..G310 helixtrans-64.8-38179.8-63.3-38.4000111.2T62 Y63 H64 A65 N75 T79 R80 L97T62-D77 VanDerWaalsContact C-OD2 3.22Å; T62-D77 VanDerWaalsContact CB-OD2 3.3Å; T62-D77 WeakPolarHBondContact CB-OD2 3.23Å; T62-D77 PolarHBondContact O-N 3.41Å; T62-D77 PolarHBondContact OG1-OD2 3.02Å; Y63-D77 PolarHBondContact N-OD2 2.88Å; H64-D77 WeakPolarHBondContact CB-OD2 3.31Å; H64-D77 IonicContact CD2-OD2 3.75Å; H64-D77 IonicContact CG-OD2 3.53Å; H64-D77 VanDerWaalsContact N-CG 3.35Å; H64-D77 PolarHBondContact N-OD1 3.34Å; H64-D77 PolarHBondContact N-OD2 2.68Å; A65-D77 WeakPolarHBondContact CB-OD1 3.34Å; A65-D77 PolarHBondContact N-OD1 3Å; N75-D77 PolarHBondContact O-N 2.79Å; D77-T79 PolarHBondContact O-N 3.11Å; D77-T79 VanDerWaalsContact O-N 3.11Å; D77-R80 WeakPolarHBondContact O-CB 3.4Å; D77-R80 WeakPolarHBondContact O-CG 3.42Å; D77-R80 PolarHBondContact O-N 3.44Å; D77-R80 VanDerWaalsContact O-N 3.12Å; D77-L97 WeakPolarHBondContact O-CB 3.49Å
78Q91.9Very high84Confident11 Ų1146 Ų465%0.05124%0.237CC..G310 helixtrans-64.1-19.9-172.8-68.872.320.500113.7Y5 L7 L11 E60 L61 T62 H76 F94 L97Y5-Q78 WeakPolarHBondContact CE2-O 3.21Å; L7-Q78 WeakPolarHBondContact CD2-O 3.3Å; L11-Q78 HydrophobicContact CD1-CB 3.79Å; L11-Q78 HydrophobicContact CD1-CG 4.3Å; E60-Q78 PolarHBondContact O-NE2 2.82Å; L61-Q78 HydrophobicContact CD2-CB 4.05Å; L61-Q78 HydrophobicContact CD2-CG 3.86Å; T62-Q78 PolarHBondContact OG1-NE2 3.33Å; H76-Q78 VanDerWaalsContact C-N 3.3Å; H76-Q78 PolarHBondContact O-N 2.76Å; Q78-F94 HydrophobicContact CB-CE2 3.88Å; Q78-F94 HydrophobicContact CB-CZ 4.12Å; Q78-F94 HydrophobicContact CG-CE2 4.28Å; Q78-F94 HydrophobicContact CG-CZ 4.02Å; Q78-F94 WeakPolarHBondContact O-CE2 3.45Å; Q78-L97 WeakPolarHBondContact O-CD1 3.45Å
79T92.1Very high83.4Confident1 Ų149.2 Ų49.21%0.00625%0.252CS..G310 helixtrans-125.211.6179.855.30000111.9Y5 L7 D77 N108 F109 W313Y5-T79 WeakPolarHBondContact OH-CA 3.3Å; Y5-T79 PolarHBondContact OH-O 3.1Å; L7-T79 HydrophobicContact CD1-CG2 4.08Å; L7-T79 HydrophobicContact CD2-CG2 4.35Å; D77-T79 PolarHBondContact O-N 3.11Å; D77-T79 VanDerWaalsContact O-N 3.11Å; T79-N108 CarbonylContact O-C 3.56Å; T79-N108 WeakPolarHBondContact O-CA 3.29Å; T79-N108 WeakPolarHBondContact O-CB 3.42Å; T79-N108 PolarHBondContact O-ND2 3.4Å; T79-N108 PolarHBondContact OG1-ND2 3.39Å; T79-F109 PolarHBondContact O-N 3.39Å; T79-W313 WeakPolarHBondContact CB-O 3.19Å; T79-W313 HydrophobicContact CG2-CB 4.12Å; T79-W313 HydrophobicContact CG2-CG 4.19Å; T79-W313 PolarHBondContact OG1-O 3.43Å
80R92.8Very high83Confident0 Ų049.2 Ų49.20%025%0.246CC..EExtended strand (participates in β ladder)trans-67.5158.9-177.281.6-174.2-179.988.14111.6Y5 H76 D77 V82 L97 N100 T102 A107 N108Y5-R80 PolarHBondContact OH-N 2.66Å; Y5-R80 PolarHBondContact OH-O 3.49Å; H76-R80 PolarHBondContact O-N 3.19Å; D77-R80 WeakPolarHBondContact O-CB 3.4Å; D77-R80 WeakPolarHBondContact O-CG 3.42Å; D77-R80 PolarHBondContact O-N 3.44Å; D77-R80 VanDerWaalsContact O-N 3.12Å; R80-V82 HydrophobicContact CG-CG2 4.21Å; R80-V82 VanDerWaalsContact CZ-CG2 3.48Å; R80-L97 HydrophobicContact CG-CD2 4.26Å; R80-L97 PolarHBondContact NE-O 2.89Å; R80-N100 PolarHBondContact NH2-O 3.16Å; R80-T102 PolarHBondContact NH1-O 2.79Å; R80-A107 WeakPolarHBondContact CA-O 3.35Å; R80-N108 PolarHBondContact N-ND2 3.05Å
81I92.9Very high82.6Confident0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-89.4141.5167.5-65.1-174.5000109.8I105 A107 F109 I132 M148 Y152I81-I105 HydrophobicContact CB-CG2 3.84Å; I81-I105 HydrophobicContact CG2-CG2 3.72Å; I81-A107 HydrophobicContact CB-CB 4.24Å; I81-A107 HydrophobicContact CD1-CB 3.76Å; I81-A107 HydrophobicContact CG1-CB 4.15Å; I81-A107 PolarHBondContact N-O 3.48Å; I81-A107 VanDerWaalsContact N-O 3.13Å; I81-F109 HydrophobicContact CD1-CD1 4.33Å; I81-F109 HydrophobicContact CD1-CE1 4.11Å; I81-F109 HydrophobicContact CD1-CZ 4.32Å; I81-F109 HydrophobicContact CG1-CD1 4.42Å; I81-F109 HydrophobicContact CG1-CD2 4.14Å; I81-F109 HydrophobicContact CG1-CE1 4.24Å; I81-F109 HydrophobicContact CG1-CE2 3.95Å; I81-F109 HydrophobicContact CG1-CG 4.39Å; I81-F109 HydrophobicContact CG1-CZ 4.01Å; I81-I132 HydrophobicContact CD1-CB 4.06Å; I81-I132 HydrophobicContact CD1-CD1 3.58Å; I81-I132 HydrophobicContact CD1-CG1 3.6Å; I81-I132 HydrophobicContact CD1-CG2 3.36Å; I81-M148 HydrophobicContact CD1-CG 4.16Å; I81-M148 HydrophobicContact CD1-SD 3.58Å; I81-M148 VanDerWaalsContact CD1-SD 3.58Å; I81-M148 HydrophobicContact CG2-CG 4.14Å; I81-M148 HydrophobicContact CG2-SD 4.31Å; I81-Y152 HydrophobicContact CD1-CE2 4.49Å; I81-Y152 HydrophobicContact CG2-CD2 4.49Å; I81-Y152 HydrophobicContact CG2-CE2 3.5Å; I81-Y152 VanDerWaalsContact CG2-CE2 3.5Å
82V90.8Very high82.4Confident7 Ų747.6 Ų47.64%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-121.1111.8177.1-168.80000108.8R80 V92 L97 M151R80-V82 HydrophobicContact CG-CG2 4.21Å; R80-V82 VanDerWaalsContact CZ-CG2 3.48Å; V82-V92 HydrophobicContact CB-CG2 4.37Å; V82-V92 HydrophobicContact CG1-CG2 4.23Å; V82-V92 HydrophobicContact CG2-CG1 4.19Å; V82-L97 HydrophobicContact CG2-CD2 3.63Å; V82-M151 WeakPolarHBondContact O-CE 3.47Å
83L90.4Very high82.7Confident13 Ų1345.6 Ų45.67%0.06824%0.243CC..  trans-71.3134.2171.4-59.5-177.6000109.7G103 I105 D144 M148 M151L83-G103 PolarHBondContact N-O 3.14Å; L83-G103 VanDerWaalsContact O-CA 3.28Å; L83-G103 WeakPolarHBondContact O-CA 3.4Å; L83-I105 HydrophobicContact CD1-CB 4.16Å; L83-I105 HydrophobicContact CD1-CG2 4.4Å; L83-I105 HydrophobicContact CD2-CG2 4.24Å; L83-I105 HydrophobicContact CG-CB 4.33Å; L83-I105 HydrophobicContact CG-CG2 4.04Å; L83-D144 HydrophobicContact CD1-CB 3.59Å; L83-M148 HydrophobicContact CD2-CB 3.87Å; L83-M151 HydrophobicContact CD2-CE 4.1Å
84K84.8Confident82.9Confident7 Ų745 Ų453%0.0324%0.242CC..  trans-112.5153.7-179.9-64.1-165.6-170.5-175.80110.9F3 D88 N90 H147 M151 F190F3-K84 HydrophobicContact CD1-CD 3.71Å; F3-K84 HydrophobicContact CE1-CD 3.82Å; K84-D88 HydrophobicContact CB-CB 4.34Å; K84-N90 PolarHBondContact NZ-O 3.13Å; K84-H147 PolarHBondContact O-CE1 2.87Å; K84-H147 PolarHBondContact O-NE2 2.9Å; K84-H147 VanDerWaalsContact O-NE2 3.14Å; K84-M151 HydrophobicContact CB-SD 4.23Å; K84-F190 WeakPolarHBondContact O-CE2 3.28Å
85N76.7Confident82.9Confident77 Ų7745.2 Ų45.241%0.41225%0.25SS..  trans-81159.4171.7-66.9-33.8000110.8N87 D88 T188N85-N87 PolarHBondContact O-N 2.63Å; N85-D88 PolarHBondContact O-N 3.31Å; N85-T188 PolarHBondContact OD1-O 3.38Å
86T66.8Low82.8Confident64 Ų6449.1 Ų49.139%0.39327%0.269SS..THydrogen-bonded Turntrans-57.7-26.9-176.351.20000112.9F190 M214T86-F190 HydrophobicContact CG2-CD1 4.27Å; T86-F190 HydrophobicContact CG2-CD2 4.01Å; T86-F190 HydrophobicContact CG2-CE1 3.74Å; T86-F190 HydrophobicContact CG2-CE2 3.48Å; T86-F190 VanDerWaalsContact CG2-CE2 3.48Å; T86-F190 HydrophobicContact CG2-CG 4.39Å; T86-F190 HydrophobicContact CG2-CZ 3.32Å; T86-M214 HydrophobicContact CG2-CE 3.77Å
87N68Low82.5Confident146 Ų14649.1 Ų49.178%0.78127%0.269SS*.THydrogen-bonded Turntrans-88.3-11.5-178-58.1-14.6000112.7N85 Q89N85-N87 PolarHBondContact O-N 2.63Å; N87-Q89 PolarHBondContact O-N 2.94Å
88D71.7Confident81.8Confident64 Ų6451.2 Ų51.234%0.34228%0.284SS..  trans-92.394-178.2-172.37.8000110.6K84 N85 N90K84-D88 HydrophobicContact CB-CB 4.34Å; N85-D88 PolarHBondContact O-N 3.31Å; D88-N90 PolarHBondContact OD1-N 3.15Å
89Q69.1Low81.2Confident145 Ų14555.6 Ų55.668%0.67831%0.311SS*.  trans-88-12.9179.2-64.9-74.5-27.800112.4N87N87-Q89 PolarHBondContact O-N 2.94Å
90N76Confident80.6Confident122 Ų12257.8 Ų57.865%0.65232%0.323SS*.SBendtrans-75.4130.6-172.7-72.1-26.1000109.7K84 D88K84-N90 PolarHBondContact NZ-O 3.13Å; D88-N90 PolarHBondContact OD1-N 3.15Å
91P76.4Confident80Confident81 Ų8162.7 Ų62.753%0.52635%0.349SS..PPolyproline II helixtrans-59.6145.517426.2-33.1000110.3
92V80Confident79.5Confident14 Ų1467.2 Ų67.29%0.08538%0.376CS..PPolyproline II helixtrans-86.1128.3172.1165.30000105.9V82 E96 L97V82-V92 HydrophobicContact CB-CG2 4.37Å; V82-V92 HydrophobicContact CG1-CG2 4.23Å; V82-V92 HydrophobicContact CG2-CG1 4.19Å; V92-E96 HydrophobicContact CG1-CB 4.45Å; V92-L97 HydrophobicContact CG1-CD2 3.65Å; V92-L97 HydrophobicContact CG1-CG 4.33Å
93T84.6Confident79.3Confident57 Ų5768.1 Ų68.135%0.3539%0.387SS..PPolyproline II helixtrans-89.2154.7177.364.20000110.4S95 E96T93-S95 PolarHBondContact O-N 3.18Å; T93-S95 PolarHBondContact OG1-OG 2.98Å; T93-E96 PolarHBondContact N-OE2 3.41Å; T93-E96 PolarHBondContact O-N 2.92Å; T93-E96 VanDerWaalsContact OG1-CG 3.24Å; T93-E96 WeakPolarHBondContact OG1-CG 3.38Å; T93-E96 PolarHBondContact OG1-OE2 3.01Å
94F85.1Confident79.3Confident52 Ų5269.7 Ų69.723%0.22839%0.392CS..G310 helixtrans-54.5-39.4176.5178.5-100.5000112.7Y5 D6 L7 P8 L11 Q78 E96 L97Y5-F94 HydrophobicContact CD2-CD2 4.23Å; Y5-F94 HydrophobicContact CE2-CD2 4.46Å; D6-F94 WeakPolarHBondContact O-CB 3.39Å; L7-F94 HydrophobicContact CD2-CD2 3.59Å; L7-F94 HydrophobicContact CD2-CE2 3.43Å; L7-F94 VanDerWaalsContact CD2-CE2 3.43Å; P8-F94 VanDerWaalsContact CD-CZ 3.44Å; P8-F94 HydrophobicContact CG-CD1 4.32Å; P8-F94 HydrophobicContact CG-CE1 3.66Å; P8-F94 HydrophobicContact CG-CE2 4.18Å; P8-F94 HydrophobicContact CG-CZ 3.58Å; L11-F94 HydrophobicContact CD1-CE2 3.79Å; L11-F94 HydrophobicContact CD1-CZ 3.76Å; Q78-F94 HydrophobicContact CB-CE2 3.88Å; Q78-F94 HydrophobicContact CB-CZ 4.12Å; Q78-F94 HydrophobicContact CG-CE2 4.28Å; Q78-F94 HydrophobicContact CG-CZ 4.02Å; Q78-F94 WeakPolarHBondContact O-CE2 3.45Å; F94-E96 PolarHBondContact O-N 3.36Å; F94-L97 HydrophobicContact CD2-CD1 3.84Å; F94-L97 HydrophobicContact CE2-CD1 4.43Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 PolarHBondContact O-N 2.87Å
95S84.8Confident79.7Confident88 Ų8869.9 Ų69.962%0.61539%0.393SS*.G310 helixtrans-62.2-23.7178.540.60000114.2T93T93-S95 PolarHBondContact O-N 3.18Å; T93-S95 PolarHBondContact OG1-OG 2.98Å
96E83.9Confident80.6Confident82 Ų8266.4 Ų66.438%0.38338%0.375SS..G310 helixtrans-86.6-15.8-179.5-70.3163.1151.500112.4V92 T93 F94 S98 T99 N100V92-E96 HydrophobicContact CG1-CB 4.45Å; T93-E96 PolarHBondContact N-OE2 3.41Å; T93-E96 PolarHBondContact O-N 2.92Å; T93-E96 VanDerWaalsContact OG1-CG 3.24Å; T93-E96 WeakPolarHBondContact OG1-CG 3.38Å; T93-E96 PolarHBondContact OG1-OE2 3.01Å; F94-E96 PolarHBondContact O-N 3.36Å; E96-S98 PolarHBondContact O-N 3.01Å; E96-T99 PolarHBondContact O-N 3.28Å; E96-T99 PolarHBondContact O-OG1 2.98Å; E96-N100 WeakPolarHBondContact O-CB 3.31Å; E96-N100 PolarHBondContact O-N 2.91Å
97L83.5Confident82.1Confident1 Ų163.3 Ų63.31%0.00536%0.356CS..THydrogen-bonded Turntrans-64.3-38.4-170.1-68.1172.1000113.7Y5 D77 Q78 R80 V82 V92 F94Y5-L97 HydrophobicContact CD1-CD1 4.01Å; Y5-L97 HydrophobicContact CD1-CD2 4.09Å; Y5-L97 HydrophobicContact CD2-CD1 3.71Å; Y5-L97 HydrophobicContact CE1-CD1 3.71Å; Y5-L97 HydrophobicContact CE1-CD2 3.71Å; Y5-L97 HydrophobicContact CE1-CG 4.32Å; Y5-L97 HydrophobicContact CE2-CD1 3.37Å; Y5-L97 HydrophobicContact CG-CD1 4.01Å; D77-L97 WeakPolarHBondContact O-CB 3.49Å; Q78-L97 WeakPolarHBondContact O-CD1 3.45Å; R80-L97 HydrophobicContact CG-CD2 4.26Å; R80-L97 PolarHBondContact NE-O 2.89Å; V82-L97 HydrophobicContact CG2-CD2 3.63Å; V92-L97 HydrophobicContact CG1-CD2 3.65Å; V92-L97 HydrophobicContact CG1-CG 4.33Å; F94-L97 HydrophobicContact CD2-CD1 3.84Å; F94-L97 HydrophobicContact CE2-CD1 4.43Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 PolarHBondContact O-N 2.87Å
98S75.3Confident83.4Confident44 Ų4456.4 Ų56.431%0.30832%0.319SS..THydrogen-bonded Turntrans-80.8-14.8-178.858.90000113.9E96E96-S98 PolarHBondContact O-N 3.01Å
99T79.1Confident84.6Confident103 Ų10353.5 Ų53.563%0.63230%0.303SS*.THydrogen-bonded Turntrans-113.5-28.8-174.954.30000113E96E96-T99 PolarHBondContact O-N 3.28Å; E96-T99 PolarHBondContact O-OG1 2.98Å
100N80.5Confident86Confident46 Ų4646.6 Ų46.625%0.24627%0.271CS..  trans-78.2121.2172.2-173.5-19000109R80 E96 T102R80-N100 PolarHBondContact NH2-O 3.16Å; E96-N100 WeakPolarHBondContact O-CB 3.31Å; E96-N100 PolarHBondContact O-N 2.91Å; N100-T102 PolarHBondContact OD1-N 3.39Å; N100-T102 PolarHBondContact OD1-OG1 3.5Å
101L80.7Confident87Confident104 Ų10440.9 Ų40.955%0.54524%0.24SC..  trans-107.35.4179.3-55.5179.1000112.8H64 A65H64-L101 HydrophobicContact CB-CD2 4.26Å; A65-L101 HydrophobicContact CB-CD2 4.1Å
102T82.4Confident87.9Confident95 Ų9537.4 Ų37.458%0.58322%0.218SC*.SBendtrans-90.6164.7179.269.60000111.5R80 N100 Y104R80-T102 PolarHBondContact NH1-O 2.79Å; N100-T102 PolarHBondContact OD1-N 3.39Å; N100-T102 PolarHBondContact OD1-OG1 3.5Å; T102-Y104 VanDerWaalsContact C-N 3.28Å; T102-Y104 PolarHBondContact O-N 3.39Å
103G85.6Confident88.6Confident26 Ų2636.9 Ų36.927%0.26822%0.215SC..SBendtrans64.231.8177.400000113.5L83L83-G103 PolarHBondContact N-O 3.14Å; L83-G103 VanDerWaalsContact O-CA 3.28Å; L83-G103 WeakPolarHBondContact O-CA 3.4Å
104Y90.6Very high89Confident46 Ų4637.9 Ų37.918%0.1822%0.216CC..EExtended strand (participates in β ladder)trans-71.6133.4-174179.5-99.3000112.1A65 A66 N71 N75 T102 N106A65-Y104 HydrophobicContact CB-CD2 3.84Å; A65-Y104 HydrophobicContact CB-CE2 4.19Å; A65-Y104 VanDerWaalsContact O-CD2 3.3Å; A65-Y104 WeakPolarHBondContact O-CD2 3.39Å; A65-Y104 WeakPolarHBondContact O-CE2 3.37Å; A66-Y104 WeakPolarHBondContact CA-OH 3.5Å; A66-Y104 HydrophobicContact CB-CE2 4.2Å; N71-Y104 PolarHBondContact ND2-OH 3.31Å; N75-Y104 VanDerWaalsContact OD1-CE2 3.28Å; N75-Y104 WeakPolarHBondContact OD1-CE2 3.45Å; N75-Y104 PolarHBondContact OD1-OH 3.19Å; T102-Y104 VanDerWaalsContact C-N 3.28Å; T102-Y104 PolarHBondContact O-N 3.39Å; Y104-N106 HydrophobicContact CE1-CB 4.2Å; Y104-N106 WeakPolarHBondContact OH-CB 3.46Å
105I93.8Very high89.1Confident10 Ų1038.2 Ų38.25%0.05122%0.222CC..EExtended strand (participates in β ladder)trans-138.6143.4159.8-176.3167.2000107.9N75 I81 L83 A107 D144 M148N75-I105 PolarHBondContact ND2-O 2.92Å; I81-I105 HydrophobicContact CB-CG2 3.84Å; I81-I105 HydrophobicContact CG2-CG2 3.72Å; L83-I105 HydrophobicContact CD1-CB 4.16Å; L83-I105 HydrophobicContact CD1-CG2 4.4Å; L83-I105 HydrophobicContact CD2-CG2 4.24Å; L83-I105 HydrophobicContact CG-CB 4.33Å; L83-I105 HydrophobicContact CG-CG2 4.04Å; I105-A107 HydrophobicContact CG1-CB 4.48Å; I105-A107 HydrophobicContact CG2-CB 4.23Å; I105-A107 PolarHBondContact O-N 2.79Å; I105-D144 HydrophobicContact CD1-CB 4.24Å; I105-D144 WeakPolarHBondContact CD1-O 3.44Å; I105-M148 HydrophobicContact CD1-CB 4.02Å; I105-M148 HydrophobicContact CD1-CE 4.29Å; I105-M148 HydrophobicContact CD1-SD 3.84Å; I105-M148 HydrophobicContact CG2-SD 4.33Å
106N95.3Very high89.1Confident4 Ų434.9 Ų34.92%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-77.373.5178.5-169.1-25.5000111.4N71 Y73 Y104 T134 Q135 R314N71-N106 WeakPolarHBondContact CB-ND2 3.33Å; N71-N106 VanDerWaalsContact CG-ND2 3.29Å; N71-N106 PolarHBondContact OD1-ND2 3.34Å; Y73-N106 PolarHBondContact O-ND2 3.03Å; Y104-N106 HydrophobicContact CE1-CB 4.2Å; Y104-N106 WeakPolarHBondContact OH-CB 3.46Å; N106-T134 WeakPolarHBondContact O-CA 3.36Å; N106-T134 PolarHBondContact O-OG1 2.88Å; N106-Q135 HydrophobicContact CB-CG 3.93Å; N106-Q135 PolarHBondContact ND2-OE1 3.42Å; N106-Q135 PolarHBondContact O-N 3.32Å; N106-R314 PolarHBondContact OD1-NH1 3.33Å; N106-R314 PolarHBondContact OD1-NH2 3.01Å; N106-R314 VanDerWaalsContact OD1-NH2 3.08Å
107A96.7Very high88.7Confident0 Ų036.8 Ų36.80%022%0.22CC..EExtended strand (participates in β ladder)trans-145.9151.8-179.800000110.9N75 R80 I81 I105 I132 A133 M148N75-A107 PolarHBondContact ND2-O 3.26Å; R80-A107 WeakPolarHBondContact CA-O 3.35Å; I81-A107 HydrophobicContact CB-CB 4.24Å; I81-A107 HydrophobicContact CD1-CB 3.76Å; I81-A107 HydrophobicContact CG1-CB 4.15Å; I81-A107 PolarHBondContact N-O 3.48Å; I81-A107 VanDerWaalsContact N-O 3.13Å; I105-A107 HydrophobicContact CG1-CB 4.48Å; I105-A107 HydrophobicContact CG2-CB 4.23Å; I105-A107 PolarHBondContact O-N 2.79Å; A107-I132 HydrophobicContact CB-CG2 3.91Å; A107-A133 CarbonylContact C-O 3.54Å; A107-A133 VanDerWaalsContact CA-O 3.29Å; A107-A133 WeakPolarHBondContact CA-O 3.44Å; A107-M148 HydrophobicContact CB-SD 3.75Å
108N97Very high88.3Confident0 Ų039.2 Ų39.20%024%0.237CC..EExtended strand (participates in β ladder)trans-129.9147172.2-61.696000110.9N75 H76 T79 R80 I132 A133 W313 R314N75-N108 WeakPolarHBondContact CB-OD1 3.3Å; H76-N108 PolarHBondContact O-ND2 2.88Å; T79-N108 CarbonylContact O-C 3.56Å; T79-N108 WeakPolarHBondContact O-CA 3.29Å; T79-N108 WeakPolarHBondContact O-CB 3.42Å; T79-N108 PolarHBondContact O-ND2 3.4Å; T79-N108 PolarHBondContact OG1-ND2 3.39Å; R80-N108 PolarHBondContact N-ND2 3.05Å; N108-I132 WeakPolarHBondContact O-CA 3.39Å; N108-A133 PolarHBondContact N-O 2.72Å; N108-A133 PolarHBondContact O-N 2.81Å; N108-W313 VanDerWaalsContact CB-O 3.26Å; N108-W313 WeakPolarHBondContact CB-O 3.25Å; N108-W313 VanDerWaalsContact CG-O 3.27Å; N108-W313 PolarHBondContact ND2-O 3.19Å; N108-R314 HydrophobicContact CB-CB 4.07Å; N108-R314 HydrophobicContact CB-CG 4.43Å; N108-R314 WeakPolarHBondContact OD1-CG 3.3Å; N108-R314 PolarHBondContact OD1-NH1 2.9Å
109F97Very high87.8Confident3 Ų341.1 Ų41.11%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-69.6139164.1-69-63.7000111I4 Y5 T79 I81 C129 I132 Y152I4-F109 HydrophobicContact CG1-CZ 4.26Å; Y5-F109 HydrophobicContact CE1-CD2 4.08Å; Y5-F109 AromaticContact CE1-CE2 3.9Å; Y5-F109 HydrophobicContact CE1-CE2 3.9Å; Y5-F109 AromaticContact CZ-CD2 3.93Å; T79-F109 PolarHBondContact O-N 3.39Å; I81-F109 HydrophobicContact CD1-CD1 4.33Å; I81-F109 HydrophobicContact CD1-CE1 4.11Å; I81-F109 HydrophobicContact CD1-CZ 4.32Å; I81-F109 HydrophobicContact CG1-CD1 4.42Å; I81-F109 HydrophobicContact CG1-CD2 4.14Å; I81-F109 HydrophobicContact CG1-CE1 4.24Å; I81-F109 HydrophobicContact CG1-CE2 3.95Å; I81-F109 HydrophobicContact CG1-CG 4.39Å; I81-F109 HydrophobicContact CG1-CZ 4.01Å; F109-C129 HydrophobicContact CB-CB 4.36Å; F109-C129 HydrophobicContact CD1-CB 3.67Å; F109-C129 HydrophobicContact CE1-CB 4.24Å; F109-C129 HydrophobicContact CG-CB 4.22Å; F109-I132 HydrophobicContact CD1-CG1 4Å; F109-I132 HydrophobicContact CE1-CD1 4.26Å; F109-I132 HydrophobicContact CE1-CG1 4.09Å; F109-Y152 HydrophobicContact CE1-CD1 4.2Å; F109-Y152 HydrophobicContact CE1-CE1 4.01Å; F109-Y152 HydrophobicContact CE2-CE1 4.48Å; F109-Y152 HydrophobicContact CZ-CD1 4.07Å; F109-Y152 AromaticContact CZ-CE1 3.41Å; F109-Y152 HydrophobicContact CZ-CE1 3.41Å; F109-Y152 VanDerWaalsContact CZ-CE1 3.41Å; F109-Y152 HydrophobicContact CZ-CE2 4.09Å; F109-Y152 AromaticContact CZ-CZ 3.41Å; F109-Y152 VanDerWaalsContact CZ-CZ 3.41Å
110I97.4Very high87.3Confident0 Ų039.1 Ų39.10%023%0.229CC..EExtended strand (participates in β ladder)trans-114.9120.3168.6-55.5-58000106.6E130 F131 A133 I285 L310 W313 R314 M317I110-E130 PolarHBondContact O-N 3.49Å; I110-F131 HydrophobicContact CB-CB 4.03Å; I110-F131 HydrophobicContact CB-CD2 4.4Å; I110-F131 HydrophobicContact CG1-CB 4.47Å; I110-F131 HydrophobicContact CG2-CD2 4.08Å; I110-F131 PolarHBondContact N-O 2.94Å; I110-F131 PolarHBondContact O-N 3.26Å; I110-F131 VanDerWaalsContact O-N 3.12Å; I110-A133 HydrophobicContact CD1-CB 4.07Å; I110-A133 HydrophobicContact CG1-CB 3.76Å; I110-I285 HydrophobicContact CG1-CD1 4.18Å; I110-I285 HydrophobicContact CG2-CG2 4.12Å; I110-L310 HydrophobicContact CG2-CD2 3.5Å; I110-W313 HydrophobicContact CB-CE3 4.31Å; I110-W313 HydrophobicContact CD1-CB 3.87Å; I110-W313 HydrophobicContact CD1-CE3 4.33Å; I110-W313 HydrophobicContact CG2-CE3 3.76Å; I110-W313 HydrophobicContact CG2-CZ3 3.87Å; I110-R314 HydrophobicContact CD1-CB 4.16Å; I110-M317 HydrophobicContact CD1-CE 4.22Å
111R96.2Very high87.2Confident2 Ų240.5 Ų40.51%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-85.8158.6-177-61.4-172.1-177.5-116.4-22.2111.9Y5 L7 L12 I113 A125 N126 D127 H128 W313Y5-R111 PolarHBondContact O-NH2 3.11Å; L7-R111 VanDerWaalsContact CG-CZ 3.46Å; L7-R111 VanDerWaalsContact CG-NE 3.33Å; L12-R111 VanDerWaalsContact CD2-CD 3.44Å; R111-I113 PolarHBondContact O-N 2.82Å; R111-A125 HydrophobicContact CB-CB 4.29Å; R111-N126 WeakPolarHBondContact CB-O 3.37Å; R111-N126 WeakPolarHBondContact CD-O 3.47Å; R111-D127 IonicContact CZ-OD1 3.54Å; R111-D127 VanDerWaalsContact NH1-CA 3.26Å; R111-D127 PolarHBondContact NH1-O 3.49Å; R111-D127 IonicContact NH1-OD1 3.64Å; R111-D127 PolarHBondContact NH1-OD1 2.79Å; R111-H128 CarbonylContact C-O 3.48Å; R111-H128 VanDerWaalsContact CA-O 3.29Å; R111-H128 WeakPolarHBondContact CA-O 3.31Å; R111-W313 HydrophobicContact CB-CH2 3.63Å; R111-W313 HydrophobicContact CB-CZ2 3.7Å; R111-W313 HydrophobicContact CB-CZ3 4.16Å; R111-W313 HydrophobicContact CG-CZ2 4.36Å; R111-W313 VanDerWaalsContact N-CZ3 3.32Å; R111-W313 VanDerWaalsContact O-CH2 3.28Å; R111-W313 WeakPolarHBondContact O-CH2 3.4Å; R111-W313 WeakPolarHBondContact O-CZ3 3.36Å
112S95.7Very high87.5Confident9 Ų937.7 Ų37.76%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-69.1114.5176.1169.80000109.5E114 A125 N126 H128 E130 K292S112-E114 PolarHBondContact O-N 2.8Å; S112-A125 VanDerWaalsContact O-CA 3.31Å; S112-A125 WeakPolarHBondContact O-CA 3.1Å; S112-A125 WeakPolarHBondContact O-CB 3.28Å; S112-N126 WeakPolarHBondContact CB-OD1 3.43Å; S112-N126 PolarHBondContact O-N 3.45Å; S112-N126 VanDerWaalsContact O-N 3.08Å; S112-H128 PolarHBondContact N-O 3.28Å; S112-E130 WeakPolarHBondContact CA-OE2 3.02Å; S112-E130 WeakPolarHBondContact CB-OE2 3.11Å; S112-E130 PolarHBondContact OG-OE2 2.94Å; S112-K292 PolarHBondContact OG-NZ 2.96Å
113I95.2Very high87.9Confident2 Ų233.3 Ų33.31%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-71.1122.6170.1-56.2-170.4000108.5R111 L123 I289 H293 I306 M309 W313R111-I113 PolarHBondContact O-N 2.82Å; I113-L123 HydrophobicContact CD1-CD2 4.21Å; I113-L123 HydrophobicContact CG2-CD1 3.62Å; I113-L123 HydrophobicContact CG2-CD2 3.81Å; I113-L123 HydrophobicContact CG2-CG 3.67Å; I113-I289 HydrophobicContact CB-CG2 4.26Å; I113-I289 HydrophobicContact CD1-CD1 3.88Å; I113-I289 HydrophobicContact CD1-CG2 4.48Å; I113-I289 HydrophobicContact CG1-CD1 4.18Å; I113-H293 PolarHBondContact O-NE2 3.01Å; I113-H293 VanDerWaalsContact O-NE2 3.12Å; I113-I306 HydrophobicContact CD1-CB 4.4Å; I113-I306 HydrophobicContact CD1-CG1 4.35Å; I113-I306 HydrophobicContact CD1-CG2 4.02Å; I113-M309 HydrophobicContact CB-SD 4.44Å; I113-M309 HydrophobicContact CD1-CB 4.08Å; I113-M309 HydrophobicContact CD1-CG 3.97Å; I113-M309 HydrophobicContact CD1-SD 3.72Å; I113-M309 HydrophobicContact CG1-CG 4.35Å; I113-M309 HydrophobicContact CG1-SD 3.69Å; I113-M309 HydrophobicContact CG2-SD 4.15Å; I113-W313 HydrophobicContact CD1-CZ3 4.44Å; I113-W313 HydrophobicContact CG1-CH2 3.89Å; I113-W313 HydrophobicContact CG1-CZ3 4.04Å
114E92.6Very high88.2Confident79 Ų7936.6 Ų36.637%0.36920%0.202SC..PPolyproline II helixtrans-65.3145.9-179.6-63.2-177.3167.300110.7S112 P116 R124 N126 H293S112-E114 PolarHBondContact O-N 2.8Å; E114-P116 WeakPolarHBondContact O-CD 3.48Å; E114-R124 PolarHBondContact N-O 2.9Å; E114-N126 HydrophobicContact CG-CB 4.27Å; E114-H293 PolarHBondContact O-CE1 3.09Å
115V88.1Confident88.4Confident58 Ų5834.8 Ų34.835%0.35220%0.197SC..PPolyproline II helixtrans-67.2122.8168.7177.70000106.9S117 S296 C298V115-S117 PolarHBondContact O-N 3.26Å; V115-S296 WeakPolarHBondContact CG1-OG 3.5Å; V115-S296 VanDerWaalsContact CG2-OG 3.3Å; V115-S296 WeakPolarHBondContact CG2-OG 3.31Å; V115-C298 HydrophobicContact CG1-CB 3.76Å
116P83.5Confident88.3Confident19 Ų1936.8 Ų36.812%0.12321%0.207CC..PPolyproline II helixtrans-61.9132.3-178.6-23.333.2000112.7E114 L123 W300E114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-L123 HydrophobicContact CG-CD1 4.2Å; P116-W300 HydrophobicContact CB-CD2 4.03Å; P116-W300 HydrophobicContact CB-CH2 3.78Å; P116-W300 HydrophobicContact CB-CZ2 3.11Å; P116-W300 HydrophobicContact CB-CZ3 4.44Å; P116-W300 HydrophobicContact CG-CD2 4.11Å; P116-W300 HydrophobicContact CG-CE3 4.21Å; P116-W300 HydrophobicContact CG-CH2 3.58Å; P116-W300 HydrophobicContact CG-CZ2 3.48Å; P116-W300 VanDerWaalsContact CG-CZ2 3.48Å; P116-W300 HydrophobicContact CG-CZ3 3.93Å
117S76.9Confident88Confident121 Ų12139.9 Ų39.985%0.84622%0.224SC*.SBendtrans-93.5-18.7-178.659.20000113.5V115V115-S117 PolarHBondContact O-N 3.26Å
118S73.6Confident87.8Confident52 Ų5243.6 Ų43.636%0.36424%0.241SC..SBendtrans-143.3157178.676.60000110.1D120 W300S118-D120 PolarHBondContact O-N 3.43Å; S118-D120 WeakPolarHBondContact OG-CB 3.5Å; S118-D120 VanDerWaalsContact OG-CG 3.29Å; S118-D120 PolarHBondContact OG-N 3.39Å; S118-D120 PolarHBondContact OG-OD2 3.33Å; S118-W300 VanDerWaalsContact C-NE1 3.33Å; S118-W300 WeakPolarHBondContact O-CZ2 3.47Å; S118-W300 PolarHBondContact O-NE1 2.94Å
119D66.6Low87.7Confident84 Ų8443.8 Ų43.845%0.44924%0.242SC..SBendtrans-6825.1174.9-76.116.2000112.8Q22Q22-D119 PolarHBondContact NE2-OD2 3.13Å
120D68.8Low87.6Confident61 Ų6144.7 Ų44.733%0.32625%0.247SC..  trans-66.1150172.971.317.3000110.2S118 L122 W300S118-D120 PolarHBondContact O-N 3.43Å; S118-D120 WeakPolarHBondContact OG-CB 3.5Å; S118-D120 VanDerWaalsContact OG-CG 3.29Å; S118-D120 PolarHBondContact OG-N 3.39Å; S118-D120 PolarHBondContact OG-OD2 3.33Å; D120-L122 PolarHBondContact O-N 3.34Å; D120-L122 PolarHBondContact OD1-N 3.12Å; D120-W300 VanDerWaalsContact O-CZ2 3.29Å; D120-W300 WeakPolarHBondContact O-CZ2 3.37Å
121T77.5Confident87.6Confident75 Ų7544.8 Ų44.846%0.4625%0.247SC..SBendtrans-76.825.3178.553.10000110.9K15 S16K15-T121 CarbonylContact C-O 3.53Å; K15-T121 WeakPolarHBondContact CA-O 3.39Å; S16-T121 WeakPolarHBondContact CB-O 3.45Å; S16-T121 PolarHBondContact N-O 2.94Å
122L86.7Confident87.7Confident46 Ų4644.7 Ų44.724%0.24125%0.247CC..EExtended strand (participates in β ladder)trans-124107.2-170.6-17164000110.9D120 R124D120-L122 PolarHBondContact O-N 3.34Å; D120-L122 PolarHBondContact OD1-N 3.12Å; L122-R124 VanDerWaalsContact CD2-CZ 3.46Å; L122-R124 HydrophobicContact CG-CG 4.38Å
123L90.5Very high87.9Confident3 Ų344.2 Ų44.22%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-80.6133.1171.6-165.467000109.2T13 V14 I113 P116 W300 S305 I306 M309T13-L123 WeakPolarHBondContact CA-O 3.36Å; V14-L123 PolarHBondContact N-O 3.02Å; V14-L123 PolarHBondContact O-N 3.5Å; I113-L123 HydrophobicContact CD1-CD2 4.21Å; I113-L123 HydrophobicContact CG2-CD1 3.62Å; I113-L123 HydrophobicContact CG2-CD2 3.81Å; I113-L123 HydrophobicContact CG2-CG 3.67Å; P116-L123 HydrophobicContact CG-CD1 4.2Å; L123-W300 HydrophobicContact CD1-CH2 4.46Å; L123-S305 WeakPolarHBondContact CD2-O 3.4Å; L123-I306 HydrophobicContact CD2-CG1 4.05Å; L123-M309 HydrophobicContact CB-CE 4.44Å; L123-M309 HydrophobicContact CD2-CB 4.17Å; L123-M309 HydrophobicContact CD2-SD 3.95Å; L123-M309 HydrophobicContact CG-CE 4.4Å; L123-M309 HydrophobicContact CG-SD 4.08Å; L123-M309 WeakPolarHBondContact O-CE 3.36Å
124R93.2Very high88Confident95 Ų9544.2 Ų44.236%0.35824%0.244SC..EExtended strand (participates in β ladder)trans-119.6151.1-179.3-60.5-175.7177.6-905.3110.9E9 L12 T13 E114 L122E9-R124 IonicContact OE1-NH1 2.81Å; L12-R124 CarbonylContact O-C 3.52Å; L12-R124 WeakPolarHBondContact O-CA 3.4Å; T13-R124 HydrophobicContact CG2-CG 4.26Å; E114-R124 PolarHBondContact N-O 2.9Å; L122-R124 VanDerWaalsContact CD2-CZ 3.46Å; L122-R124 HydrophobicContact CG-CG 4.38Å
125A94.4Very high88.2Confident7 Ų740.8 Ų40.86%0.05823%0.228CC..EExtended strand (participates in β ladder)trans-126.5149.7168.900000109.5L12 R111 S112 M309 W313L12-A125 HydrophobicContact CD2-CB 4.35Å; L12-A125 PolarHBondContact O-N 3.01Å; R111-A125 HydrophobicContact CB-CB 4.29Å; S112-A125 VanDerWaalsContact O-CA 3.31Å; S112-A125 WeakPolarHBondContact O-CA 3.1Å; S112-A125 WeakPolarHBondContact O-CB 3.28Å; A125-M309 HydrophobicContact CB-CE 4.26Å; A125-M309 HydrophobicContact CB-SD 3.93Å; A125-W313 HydrophobicContact CB-CH2 3.43Å; A125-W313 VanDerWaalsContact CB-CH2 3.43Å; A125-W313 HydrophobicContact CB-CZ2 3.4Å; A125-W313 VanDerWaalsContact CB-CZ2 3.4Å
126N91.5Very high88.7Confident52 Ų5238 Ų3828%0.27821%0.211SC..EExtended strand (participates in β ladder)trans-93.9177.6172.663.641.5000110.8R111 S112 E114 H128R111-N126 WeakPolarHBondContact CB-O 3.37Å; R111-N126 WeakPolarHBondContact CD-O 3.47Å; S112-N126 WeakPolarHBondContact CB-OD1 3.43Å; S112-N126 PolarHBondContact O-N 3.45Å; S112-N126 VanDerWaalsContact O-N 3.08Å; E114-N126 HydrophobicContact CG-CB 4.27Å; N126-H128 PolarHBondContact O-N 3.39Å; N126-H128 WeakPolarHBondContact OD1-CB 3.48Å; N126-H128 PolarHBondContact OD1-N 3.44Å
127D89.1Confident89.3Confident70 Ų7037.2 Ų37.237%0.37421%0.206SC..EExtended strand (participates in β ladder)trans-77.4-3.1-178.1-69.5-50.5000115.2R111 C129R111-D127 IonicContact CZ-OD1 3.54Å; R111-D127 VanDerWaalsContact NH1-CA 3.26Å; R111-D127 PolarHBondContact NH1-O 3.49Å; R111-D127 IonicContact NH1-OD1 3.64Å; R111-D127 PolarHBondContact NH1-OD1 2.79Å; D127-C129 PolarHBondContact O-N 3.02Å
128H92Very high90.2Very high78 Ų7832.3 Ų32.336%0.36117%0.17SC..EExtended strand (participates in β ladder)trans-72.6117.5177.6175.664000110.7R111 S112 N126 E130R111-H128 CarbonylContact C-O 3.48Å; R111-H128 VanDerWaalsContact CA-O 3.29Å; R111-H128 WeakPolarHBondContact CA-O 3.31Å; S112-H128 PolarHBondContact N-O 3.28Å; N126-H128 PolarHBondContact O-N 3.39Å; N126-H128 WeakPolarHBondContact OD1-CB 3.48Å; N126-H128 PolarHBondContact OD1-N 3.44Å; H128-E130 PolarHBondContact O-N 3.23Å
129C94.4Very high91.2Very high3 Ų337.6 Ų37.62%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-75.4102.5169.7-59.60000110I4 F109 D127 P269I4-C129 HydrophobicContact CD1-CB 4.24Å; I4-C129 VanDerWaalsContact CG2-SG 3.55Å; F109-C129 HydrophobicContact CB-CB 4.36Å; F109-C129 HydrophobicContact CD1-CB 3.67Å; F109-C129 HydrophobicContact CE1-CB 4.24Å; F109-C129 HydrophobicContact CG-CB 4.22Å; D127-C129 PolarHBondContact O-N 3.02Å; C129-P269 WeakPolarHBondContact O-CB 3.32Å
130E95.7Very high92.5Very high23 Ų2338.2 Ų38.211%0.10719%0.186CC..EExtended strand (participates in β ladder)trans-82.4-34.8-178.9-167.6169.4-169.200111.3I110 S112 H128 T270 K292I110-E130 PolarHBondContact O-N 3.49Å; S112-E130 WeakPolarHBondContact CA-OE2 3.02Å; S112-E130 WeakPolarHBondContact CB-OE2 3.11Å; S112-E130 PolarHBondContact OG-OE2 2.94Å; H128-E130 PolarHBondContact O-N 3.23Å; E130-T270 PolarHBondContact O-N 2.57Å; E130-K292 IonicContact OE1-NZ 3.63Å; E130-K292 PolarHBondContact OE1-NZ 3.08Å; E130-K292 IonicContact OE2-NZ 3.94Å; E130-K292 PolarHBondContact OE2-NZ 2.77Å
131F98.3Very high93.7Very high1 Ų136.6 Ų36.60%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-133.7159.8179.2-44.4-89.1000113.1I110 T270 V272 I285 L288I110-F131 HydrophobicContact CB-CB 4.03Å; I110-F131 HydrophobicContact CB-CD2 4.4Å; I110-F131 HydrophobicContact CG1-CB 4.47Å; I110-F131 HydrophobicContact CG2-CD2 4.08Å; I110-F131 PolarHBondContact N-O 2.94Å; I110-F131 PolarHBondContact O-N 3.26Å; I110-F131 VanDerWaalsContact O-N 3.12Å; F131-T270 CarbonylContact C-O 3.56Å; F131-T270 WeakPolarHBondContact CA-O 3.43Å; F131-T270 WeakPolarHBondContact CB-O 3.33Å; F131-T270 HydrophobicContact CD1-CG2 4.14Å; F131-V272 HydrophobicContact CB-CG2 4.39Å; F131-V272 HydrophobicContact CD1-CG2 3.84Å; F131-V272 HydrophobicContact CG-CG2 4.47Å; F131-I285 HydrophobicContact CB-CD1 4.05Å; F131-I285 HydrophobicContact CD1-CG1 4.39Å; F131-I285 HydrophobicContact CD2-CD1 4.43Å; F131-I285 HydrophobicContact CD2-CG1 4.33Å; F131-I285 HydrophobicContact CD2-CG2 4.06Å; F131-I285 HydrophobicContact CE2-CG2 4.11Å; F131-I285 HydrophobicContact CG-CD1 4.16Å; F131-I285 HydrophobicContact CG-CG1 4.19Å; F131-L288 HydrophobicContact CE1-CD1 3.59Å; F131-L288 HydrophobicContact CZ-CB 4.44Å; F131-L288 HydrophobicContact CZ-CD1 3.71Å
132I98.5Very high94.7Very high0 Ų034 Ų340%016%0.162CC..EExtended strand (participates in β ladder)trans-113.3116.2161.1-67.1173.5000107.1I81 A107 N108 F109 M148 Y152 P269 T270 V271 V272I81-I132 HydrophobicContact CD1-CB 4.06Å; I81-I132 HydrophobicContact CD1-CD1 3.58Å; I81-I132 HydrophobicContact CD1-CG1 3.6Å; I81-I132 HydrophobicContact CD1-CG2 3.36Å; A107-I132 HydrophobicContact CB-CG2 3.91Å; N108-I132 WeakPolarHBondContact O-CA 3.39Å; F109-I132 HydrophobicContact CD1-CG1 4Å; F109-I132 HydrophobicContact CE1-CD1 4.26Å; F109-I132 HydrophobicContact CE1-CG1 4.09Å; I132-M148 HydrophobicContact CD1-CG 4.17Å; I132-M148 HydrophobicContact CD1-SD 4.25Å; I132-M148 HydrophobicContact CG2-CE 3.86Å; I132-M148 HydrophobicContact CG2-SD 3.7Å; I132-Y152 HydrophobicContact CD1-CD2 4.12Å; I132-Y152 HydrophobicContact CD1-CG 4.35Å; I132-P269 HydrophobicContact CD1-CB 4.28Å; I132-P269 HydrophobicContact CD1-CG 3.47Å; I132-P269 VanDerWaalsContact CD1-CG 3.47Å; I132-P269 HydrophobicContact CG1-CB 3.9Å; I132-P269 HydrophobicContact CG1-CG 3.62Å; I132-T270 PolarHBondContact N-O 3.41Å; I132-V271 HydrophobicContact CB-CG2 4.24Å; I132-V271 HydrophobicContact CD1-CG2 4.29Å; I132-V271 CarbonylContact O-C 3.48Å; I132-V272 PolarHBondContact O-N 3.12Å
133A98.6Very high95.1Very high0 Ų032.1 Ų32.10%015%0.153CC..EExtended strand (participates in β ladder)trans-93119.817100000109.1A107 N108 I110 V272 T281 I285 R314 M317A107-A133 CarbonylContact C-O 3.54Å; A107-A133 VanDerWaalsContact CA-O 3.29Å; A107-A133 WeakPolarHBondContact CA-O 3.44Å; N108-A133 PolarHBondContact N-O 2.72Å; N108-A133 PolarHBondContact O-N 2.81Å; I110-A133 HydrophobicContact CD1-CB 4.07Å; I110-A133 HydrophobicContact CG1-CB 3.76Å; A133-V272 WeakPolarHBondContact CA-O 3.46Å; A133-T281 HydrophobicContact CB-CG2 3.71Å; A133-I285 HydrophobicContact CB-CD1 4.38Å; A133-R314 PolarHBondContact O-NH1 3.27Å; A133-M317 HydrophobicContact CB-CE 4.13Å; A133-M317 HydrophobicContact CB-SD 4.44Å
134T98.3Very high95.4Very high2 Ų233.4 Ų33.41%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-137.2157.2-173.9-172.50000111.6N106 F145 M148 V271 V272 H273 G277N106-T134 WeakPolarHBondContact O-CA 3.36Å; N106-T134 PolarHBondContact O-OG1 2.88Å; T134-F145 HydrophobicContact CG2-CD2 4.32Å; T134-F145 HydrophobicContact CG2-CE2 3.9Å; T134-M148 HydrophobicContact CG2-CE 4.21Å; T134-V271 HydrophobicContact CG2-CG1 3.68Å; T134-V272 PolarHBondContact N-O 3.03Å; T134-V272 VanDerWaalsContact N-O 3.15Å; T134-H273 HydrophobicContact CG2-CB 3.65Å; T134-H273 WeakPolarHBondContact O-CA 3.29Å; T134-H273 WeakPolarHBondContact O-CB 3.41Å; T134-G277 WeakPolarHBondContact O-CA 3.47Å
135Q96.7Very high95.6Very high6 Ų629 Ų293%0.02814%0.144CC..PPolyproline II helixtrans-68.1159.5170.174.5178.724.300111.2N106 S275N106-Q135 HydrophobicContact CB-CG 3.93Å; N106-Q135 PolarHBondContact ND2-OE1 3.42Å; N106-Q135 PolarHBondContact O-N 3.32Å; Q135-S275 CarbonylContact C-O 3.58Å; Q135-S275 WeakPolarHBondContact CA-O 3.48Å; Q135-S275 WeakPolarHBondContact CB-O 3.36Å
136G97.2Very high95.8Very high0 Ų028.7 Ų28.70%014%0.141CC..PPolyproline II helixtrans-58.1130.2165.800000109.6L138 C274 S275G136-L138 PolarHBondContact O-N 3.01Å; G136-C274 VanDerWaalsContact CA-O 3.23Å; G136-C274 WeakPolarHBondContact CA-O 3.32Å; G136-C274 PolarHBondContact N-O 3.43Å; G136-C274 VanDerWaalsContact N-O 3.16Å; G136-S275 PolarHBondContact N-O 2.9Å
137P97Very high95.9Very high2 Ų226.3 Ų26.31%0.01313%0.128CC..PPolyproline II helixtrans-53.8135.7-179.4-30.238000112I142 F145 D172 Y174P137-I142 HydrophobicContact CB-CG1 4.09Å; P137-F145 HydrophobicContact CB-CB 4.38Å; P137-F145 HydrophobicContact CG-CB 3.94Å; P137-F145 HydrophobicContact CG-CD1 4.09Å; P137-F145 HydrophobicContact CG-CD2 3.53Å; P137-F145 HydrophobicContact CG-CE1 4.49Å; P137-F145 HydrophobicContact CG-CE2 3.96Å; P137-F145 HydrophobicContact CG-CG 3.58Å; P137-F145 HydrophobicContact CG-CZ 4.43Å; P137-D172 WeakPolarHBondContact O-CB 3.29Å; P137-D172 PolarHBondContact O-N 2.77Å; P137-Y174 HydrophobicContact CB-CD1 4.25Å; P137-Y174 HydrophobicContact CB-CG 4.4Å; P137-Y174 HydrophobicContact CG-CD1 3.65Å; P137-Y174 HydrophobicContact CG-CE1 4.21Å; P137-Y174 HydrophobicContact CG-CG 3.88Å
138L95.3Very high96.3Very high18 Ų1823 Ų239%0.09411%0.111CC..PPolyproline II helixtrans-89.2155.8166.2-55176.6000108.2Q70 G136 Q140 T141 I142 D172Q70-L138 HydrophobicContact CB-CD1 3.72Å; G136-L138 PolarHBondContact O-N 3.01Å; L138-Q140 PolarHBondContact O-N 3.34Å; L138-T141 HydrophobicContact CB-CG2 4.31Å; L138-T141 PolarHBondContact N-OG1 3.5Å; L138-T141 CarbonylContact O-C 3.54Å; L138-T141 WeakPolarHBondContact O-CA 3.33Å; L138-T141 PolarHBondContact O-N 3.5Å; L138-T141 PolarHBondContact O-OG1 2.95Å; L138-I142 WeakPolarHBondContact O-CG1 3.13Å; L138-I142 PolarHBondContact O-N 3.29Å; L138-I142 VanDerWaalsContact O-N 3.14Å; L138-D172 WeakPolarHBondContact CA-OD2 3.5Å
139K94.9Very high96.5Very high163 Ų16319.2 Ų19.271%0.7099%0.093SC*.G310 helixtrans-44.8-43.9178.9-175.3174-178.5175.70113.7D172K139-D172 VanDerWaalsContact N-CG 3.32Å; K139-D172 PolarHBondContact N-OD2 2.72Å
140Q93.5Very high96.5Very high97 Ų9720.4 Ų20.445%0.45310%0.098SC..G310 helixtrans-80.8-11.8-18072.6-80.36.600114.8H68 L138H68-Q140 PolarHBondContact CE1-NE2 2.92Å; L138-Q140 PolarHBondContact O-N 3.34Å
141T95Very high96.3Very high28 Ų2820.3 Ų20.317%0.17210%0.097CC..G310 helixtrans-110.76.1-178.672.80000113.1L138 G143 D144 F145L138-T141 HydrophobicContact CB-CG2 4.31Å; L138-T141 PolarHBondContact N-OG1 3.5Å; L138-T141 CarbonylContact O-C 3.54Å; L138-T141 WeakPolarHBondContact O-CA 3.33Å; L138-T141 PolarHBondContact O-N 3.5Å; L138-T141 PolarHBondContact O-OG1 2.95Å; T141-G143 VanDerWaalsContact C-N 3.3Å; T141-G143 PolarHBondContact O-N 3.02Å; T141-D144 PolarHBondContact O-N 2.8Å; T141-F145 PolarHBondContact O-N 3.35Å
142I97.4Very high96Very high20 Ų2020.5 Ų20.510%0.10310%0.098CC..Hα-helixtrans-59.7-42.7177.6-68.2169.9000110.8P137 L138 F145 W146 D172 L173 Y185P137-I142 HydrophobicContact CB-CG1 4.09Å; L138-I142 WeakPolarHBondContact O-CG1 3.13Å; L138-I142 PolarHBondContact O-N 3.29Å; L138-I142 VanDerWaalsContact O-N 3.14Å; I142-F145 WeakPolarHBondContact O-CB 3.43Å; I142-F145 PolarHBondContact O-N 2.77Å; I142-W146 PolarHBondContact O-N 3.27Å; I142-W146 VanDerWaalsContact O-N 3.09Å; I142-D172 HydrophobicContact CD1-CB 4.18Å; I142-L173 WeakPolarHBondContact CD1-O 3.29Å; I142-Y185 HydrophobicContact CB-CD1 4.48Å; I142-Y185 HydrophobicContact CG2-CD1 3.36Å; I142-Y185 HydrophobicContact CG2-CE1 3.69Å; I142-Y185 HydrophobicContact CG2-CG 3.84Å
143G96.6Very high95.8Very high6 Ų626.6 Ų26.66%0.06213%0.125CC..Hα-helixtrans-64.3-42.417700000113T141 F145 W146 H147 K186T141-G143 VanDerWaalsContact C-N 3.3Å; T141-G143 PolarHBondContact O-N 3.02Å; G143-F145 VanDerWaalsContact C-N 3.3Å; G143-F145 PolarHBondContact O-N 3.24Å; G143-W146 PolarHBondContact O-N 2.88Å; G143-H147 VanDerWaalsContact O-CB 3.27Å; G143-H147 WeakPolarHBondContact O-CB 3.47Å; G143-H147 PolarHBondContact O-N 3.22Å; G143-K186 WeakPolarHBondContact CA-O 3.29Å
144D95.8Very high95.7Very high31 Ų3126.6 Ų26.617%0.16613%0.125CC..Hα-helixtrans-62.4-38.3175.5-66.6-25.1000111.8L83 I105 T141 H147 M148 S187L83-D144 HydrophobicContact CD1-CB 3.59Å; I105-D144 HydrophobicContact CD1-CB 4.24Å; I105-D144 WeakPolarHBondContact CD1-O 3.44Å; T141-D144 PolarHBondContact O-N 2.8Å; D144-H147 PolarHBondContact O-N 3.33Å; D144-M148 WeakPolarHBondContact O-CB 3.45Å; D144-M148 PolarHBondContact O-N 3.34Å; D144-S187 VanDerWaalsContact OD1-CB 3.3Å; D144-S187 WeakPolarHBondContact OD1-CB 3.49Å; D144-S187 PolarHBondContact OD1-OG 3.4Å
145F98Very high95.6Very high3 Ų327.1 Ų27.11%0.01313%0.128CC..Hα-helixtrans-61.6-49.7174.6178-90.1000112T134 P137 T141 I142 G143 H147 M148 V149 I157 Y174 V271T134-F145 HydrophobicContact CG2-CD2 4.32Å; T134-F145 HydrophobicContact CG2-CE2 3.9Å; P137-F145 HydrophobicContact CB-CB 4.38Å; P137-F145 HydrophobicContact CG-CB 3.94Å; P137-F145 HydrophobicContact CG-CD1 4.09Å; P137-F145 HydrophobicContact CG-CD2 3.53Å; P137-F145 HydrophobicContact CG-CE1 4.49Å; P137-F145 HydrophobicContact CG-CE2 3.96Å; P137-F145 HydrophobicContact CG-CG 3.58Å; P137-F145 HydrophobicContact CG-CZ 4.43Å; T141-F145 PolarHBondContact O-N 3.35Å; I142-F145 WeakPolarHBondContact O-CB 3.43Å; I142-F145 PolarHBondContact O-N 2.77Å; G143-F145 VanDerWaalsContact C-N 3.3Å; G143-F145 PolarHBondContact O-N 3.24Å; F145-H147 VanDerWaalsContact C-N 3.33Å; F145-H147 PolarHBondContact O-N 3.22Å; F145-M148 HydrophobicContact CD2-CE 4.09Å; F145-M148 HydrophobicContact CE2-CE 4.27Å; F145-M148 WeakPolarHBondContact O-CB 3.33Å; F145-M148 PolarHBondContact O-N 3Å; F145-V149 HydrophobicContact CD1-CG2 4.18Å; F145-V149 HydrophobicContact CE1-CG2 3.85Å; F145-V149 HydrophobicContact CZ-CG2 4.18Å; F145-V149 VanDerWaalsContact O-CG2 3.31Å; F145-V149 WeakPolarHBondContact O-CG2 3.47Å; F145-V149 PolarHBondContact O-N 3.3Å; F145-I157 HydrophobicContact CE1-CD1 3.95Å; F145-I157 HydrophobicContact CZ-CD1 4.09Å; F145-I157 HydrophobicContact CZ-CG1 4.48Å; F145-I157 HydrophobicContact CZ-CG2 4.17Å; F145-Y174 HydrophobicContact CD1-CD2 4.11Å; F145-Y174 HydrophobicContact CD1-CE2 4.47Å; F145-Y174 AromaticContact CE1-CD2 3.71Å; F145-Y174 HydrophobicContact CE1-CD2 3.71Å; F145-Y174 AromaticContact CE1-CE2 3.63Å; F145-Y174 HydrophobicContact CE1-CE2 3.63Å; F145-Y174 HydrophobicContact CE1-CG 4.47Å; F145-Y174 HydrophobicContact CZ-CD2 4.42Å; F145-Y174 HydrophobicContact CZ-CE2 4.01Å; F145-V271 HydrophobicContact CE2-CG1 3.85Å; F145-V271 HydrophobicContact CZ-CG1 4.06Å
146W97.7Very high95.7Very high0 Ų027.2 Ų27.20%013%0.128CC..Hα-helixtrans-68.5-33.2177.5-76.7114.3000113.2I142 G143 M148 V149 Y150 I157 Y174 W175 Y185 I192 V194 F210 I212I142-W146 PolarHBondContact O-N 3.27Å; I142-W146 VanDerWaalsContact O-N 3.09Å; G143-W146 PolarHBondContact O-N 2.88Å; W146-M148 VanDerWaalsContact C-N 3.34Å; W146-V149 HydrophobicContact CE3-CB 4.09Å; W146-V149 HydrophobicContact CE3-CG1 4.03Å; W146-V149 HydrophobicContact CE3-CG2 4.34Å; W146-V149 HydrophobicContact CZ3-CG1 4.04Å; W146-V149 PolarHBondContact O-N 3.49Å; W146-Y150 WeakPolarHBondContact O-CB 3.38Å; W146-Y150 PolarHBondContact O-N 3.45Å; W146-I157 HydrophobicContact CH2-CD1 3.98Å; W146-I157 HydrophobicContact CZ3-CD1 4.02Å; W146-Y174 VanDerWaalsContact CE2-O 3.3Å; W146-Y174 AromaticContact CZ2-CD2 3.91Å; W146-Y174 HydrophobicContact CZ2-CD2 3.91Å; W146-Y174 HydrophobicContact CZ2-CE2 4.33Å; W146-Y174 WeakPolarHBondContact CZ2-O 3.36Å; W146-Y174 PolarHBondContact NE1-O 2.73Å; W146-W175 HydrophobicContact CZ2-CB 4.4Å; W146-Y185 AromaticContact CD1-CD2 3.24Å; W146-Y185 AromaticContact CD1-CE2 3.74Å; W146-Y185 AromaticContact CD1-CG 3.68Å; W146-Y185 HydrophobicContact CG-CD2 4.01Å; W146-Y185 AromaticContact NE1-CD2 3.51Å; W146-Y185 AromaticContact NE1-CE2 3.47Å; W146-I192 HydrophobicContact CB-CB 4.12Å; W146-I192 HydrophobicContact CB-CG1 4.31Å; W146-I192 HydrophobicContact CB-CG2 4.19Å; W146-V194 HydrophobicContact CB-CG2 4.45Å; W146-V194 HydrophobicContact CD2-CG1 4.48Å; W146-V194 HydrophobicContact CD2-CG2 3.56Å; W146-V194 HydrophobicContact CE3-CG2 3.89Å; W146-V194 HydrophobicContact CG-CG2 3.82Å; W146-V194 HydrophobicContact CH2-CG1 3.82Å; W146-V194 HydrophobicContact CZ2-CG1 3.74Å; W146-V194 HydrophobicContact CZ2-CG2 4.3Å; W146-V194 HydrophobicContact CZ3-CG1 4.22Å; W146-V194 HydrophobicContact CZ3-CG2 4.37Å; W146-F210 AromaticContact CH2-CD2 3.99Å; W146-F210 HydrophobicContact CH2-CD2 3.99Å; W146-F210 HydrophobicContact CH2-CE2 4.31Å; W146-F210 HydrophobicContact CH2-CG 4.22Å; W146-I212 HydrophobicContact CE3-CG2 3.99Å; W146-I212 HydrophobicContact CZ3-CG2 3.78Å
147H95Very high95.8Very high1 Ų127.2 Ų27.21%0.00513%0.128CC..Hα-helixtrans-60.2-45.9171.8-178.6-172.7000110.6K84 G143 D144 F145 V149 Y150 M151 S187 F190K84-H147 PolarHBondContact O-CE1 2.87Å; K84-H147 PolarHBondContact O-NE2 2.9Å; K84-H147 VanDerWaalsContact O-NE2 3.14Å; G143-H147 VanDerWaalsContact O-CB 3.27Å; G143-H147 WeakPolarHBondContact O-CB 3.47Å; G143-H147 PolarHBondContact O-N 3.22Å; D144-H147 PolarHBondContact O-N 3.33Å; F145-H147 VanDerWaalsContact C-N 3.33Å; F145-H147 PolarHBondContact O-N 3.22Å; H147-V149 PolarHBondContact O-N 3.46Å; H147-Y150 PolarHBondContact O-N 2.86Å; H147-M151 WeakPolarHBondContact O-CB 3.22Å; H147-M151 PolarHBondContact O-N 2.71Å; H147-S187 PolarHBondContact ND1-OG 2.64Å; H147-F190 AromaticContact CD2-CD1 3.8Å; H147-F190 AromaticContact CD2-CG 3.85Å; H147-F190 AromaticContact CE1-CD2 3.24Å; H147-F190 WeakPolarHBondContact CE1-CD2 3.35Å; H147-F190 AromaticContact CE1-CE2 3.65Å; H147-F190 AromaticContact CE1-CG 3.55Å; H147-F190 AromaticContact ND1-CG 3.93Å; H147-F190 AromaticContact NE2-CD1 3.74Å; H147-F190 AromaticContact NE2-CD2 3.35Å; H147-F190 WeakPolarHBondContact NE2-CD2 3.09Å; H147-F190 AromaticContact NE2-CE1 3.82Å; H147-F190 AromaticContact NE2-CE2 3.37Å; H147-F190 WeakPolarHBondContact NE2-CE2 3.49Å; H147-F190 AromaticContact NE2-CG 3.52Å; H147-F190 AromaticContact NE2-CZ 3.64Å
148M95.9Very high95.9Very high0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-57.1-50.5173.1-177.2-176.170.200112.3I81 L83 I105 A107 I132 T134 D144 F145 W146 Y150 M151 Y152 V271I81-M148 HydrophobicContact CD1-CG 4.16Å; I81-M148 HydrophobicContact CD1-SD 3.58Å; I81-M148 VanDerWaalsContact CD1-SD 3.58Å; I81-M148 HydrophobicContact CG2-CG 4.14Å; I81-M148 HydrophobicContact CG2-SD 4.31Å; L83-M148 HydrophobicContact CD2-CB 3.87Å; I105-M148 HydrophobicContact CD1-CB 4.02Å; I105-M148 HydrophobicContact CD1-CE 4.29Å; I105-M148 HydrophobicContact CD1-SD 3.84Å; I105-M148 HydrophobicContact CG2-SD 4.33Å; A107-M148 HydrophobicContact CB-SD 3.75Å; I132-M148 HydrophobicContact CD1-CG 4.17Å; I132-M148 HydrophobicContact CD1-SD 4.25Å; I132-M148 HydrophobicContact CG2-CE 3.86Å; I132-M148 HydrophobicContact CG2-SD 3.7Å; T134-M148 HydrophobicContact CG2-CE 4.21Å; D144-M148 WeakPolarHBondContact O-CB 3.45Å; D144-M148 PolarHBondContact O-N 3.34Å; F145-M148 HydrophobicContact CD2-CE 4.09Å; F145-M148 HydrophobicContact CE2-CE 4.27Å; F145-M148 WeakPolarHBondContact O-CB 3.33Å; F145-M148 PolarHBondContact O-N 3Å; W146-M148 VanDerWaalsContact C-N 3.34Å; M148-Y150 VanDerWaalsContact C-N 3.3Å; M148-Y150 PolarHBondContact O-N 3.33Å; M148-M151 PolarHBondContact O-N 2.84Å; M148-Y152 HydrophobicContact CG-CD2 3.98Å; M148-Y152 HydrophobicContact CG-CE2 4.32Å; M148-Y152 WeakPolarHBondContact O-CD2 3.26Å; M148-Y152 PolarHBondContact O-N 2.82Å; M148-Y152 VanDerWaalsContact O-N 3.11Å; M148-V271 HydrophobicContact CE-CG1 4.09Å; M148-V271 HydrophobicContact CE-CG2 4.1Å
149V96.9Very high96Very high0 Ų026.3 Ų26.30%012%0.123CC..Hα-helixtrans-58.3-43.5-180173.90000111F145 W146 H147 K153 C154 I157 I212 V224 V271F145-V149 HydrophobicContact CD1-CG2 4.18Å; F145-V149 HydrophobicContact CE1-CG2 3.85Å; F145-V149 HydrophobicContact CZ-CG2 4.18Å; F145-V149 VanDerWaalsContact O-CG2 3.31Å; F145-V149 WeakPolarHBondContact O-CG2 3.47Å; F145-V149 PolarHBondContact O-N 3.3Å; W146-V149 HydrophobicContact CE3-CB 4.09Å; W146-V149 HydrophobicContact CE3-CG1 4.03Å; W146-V149 HydrophobicContact CE3-CG2 4.34Å; W146-V149 HydrophobicContact CZ3-CG1 4.04Å; W146-V149 PolarHBondContact O-N 3.49Å; H147-V149 PolarHBondContact O-N 3.46Å; V149-K153 PolarHBondContact O-N 3.19Å; V149-C154 HydrophobicContact CG1-CB 4.07Å; V149-C154 PolarHBondContact O-N 3.33Å; V149-I157 HydrophobicContact CG1-CD1 4.47Å; V149-I157 HydrophobicContact CG2-CD1 4.18Å; V149-I212 HydrophobicContact CB-CD1 4.48Å; V149-I212 HydrophobicContact CG1-CD1 3.75Å; V149-V224 HydrophobicContact CG1-CG1 4.12Å; V149-V224 HydrophobicContact CG1-CG2 3.89Å; V149-V271 HydrophobicContact CG2-CG2 4.13Å
150Y94.4Very high96.2Very high28 Ų2818.5 Ų18.511%0.119%0.09CC..Hα-helixtrans-65.6-54.3177.6-179.3-94.7000111.9W146 H147 M148 Y152 K153 I192 I212 M214 E220W146-Y150 WeakPolarHBondContact O-CB 3.38Å; W146-Y150 PolarHBondContact O-N 3.45Å; H147-Y150 PolarHBondContact O-N 2.86Å; M148-Y150 VanDerWaalsContact C-N 3.3Å; M148-Y150 PolarHBondContact O-N 3.33Å; Y150-Y152 VanDerWaalsContact C-N 3.31Å; Y150-Y152 PolarHBondContact O-N 3.43Å; Y150-K153 PolarHBondContact O-N 2.82Å; Y150-I192 HydrophobicContact CD1-CD1 3.98Å; Y150-I192 HydrophobicContact CD2-CD1 4.35Å; Y150-I192 HydrophobicContact CG-CD1 3.77Å; Y150-I212 HydrophobicContact CD2-CD1 4.17Å; Y150-I212 HydrophobicContact CD2-CG1 4.23Å; Y150-M214 HydrophobicContact CD1-CG 4.36Å; Y150-M214 HydrophobicContact CD1-SD 4.3Å; Y150-M214 HydrophobicContact CE1-CG 3.56Å; Y150-M214 HydrophobicContact CE1-SD 3.97Å; Y150-M214 HydrophobicContact CE2-CG 4.15Å; Y150-M214 VanDerWaalsContact CZ-CG 3.44Å; Y150-M214 WeakPolarHBondContact OH-CG 3.31Å; Y150-E220 PolarHBondContact OH-O 3.16Å
151M91.4Very high96.3Very high20 Ų2013.9 Ų13.910%0.0997%0.068CC..Hα-helixtrans-60.1-39-173.3-175.2177.671.300112.6F3 V82 L83 K84 H147 M148 K153F3-M151 HydrophobicContact CD1-SD 4.49Å; F3-M151 HydrophobicContact CD2-CG 3.99Å; F3-M151 HydrophobicContact CE2-CG 4.06Å; F3-M151 HydrophobicContact CG-CG 4.31Å; F3-M151 HydrophobicContact CZ-CG 4.44Å; V82-M151 WeakPolarHBondContact O-CE 3.47Å; L83-M151 HydrophobicContact CD2-CE 4.1Å; K84-M151 HydrophobicContact CB-SD 4.23Å; H147-M151 WeakPolarHBondContact O-CB 3.22Å; H147-M151 PolarHBondContact O-N 2.71Å; M148-M151 PolarHBondContact O-N 2.84Å; M151-K153 VanDerWaalsContact C-N 3.33Å
152Y92.5Very high96.3Very high6 Ų614.1 Ų14.12%0.0248%0.076CC..THydrogen-bonded Turntrans-904.5178-69.9-69.6000114.1F3 I4 I81 F109 I132 M148 Y150 C154 G268F3-Y152 HydrophobicContact CB-CD1 4.31Å; F3-Y152 HydrophobicContact CB-CE1 3.47Å; F3-Y152 VanDerWaalsContact CB-CE1 3.47Å; F3-Y152 PolarHBondContact O-OH 3.5Å; I4-Y152 HydrophobicContact CG1-CD1 4.48Å; I4-Y152 HydrophobicContact CG1-CE1 4.23Å; I81-Y152 HydrophobicContact CD1-CE2 4.49Å; I81-Y152 HydrophobicContact CG2-CD2 4.49Å; I81-Y152 HydrophobicContact CG2-CE2 3.5Å; I81-Y152 VanDerWaalsContact CG2-CE2 3.5Å; F109-Y152 HydrophobicContact CE1-CD1 4.2Å; F109-Y152 HydrophobicContact CE1-CE1 4.01Å; F109-Y152 HydrophobicContact CE2-CE1 4.48Å; F109-Y152 HydrophobicContact CZ-CD1 4.07Å; F109-Y152 AromaticContact CZ-CE1 3.41Å; F109-Y152 HydrophobicContact CZ-CE1 3.41Å; F109-Y152 VanDerWaalsContact CZ-CE1 3.41Å; F109-Y152 HydrophobicContact CZ-CE2 4.09Å; F109-Y152 AromaticContact CZ-CZ 3.41Å; F109-Y152 VanDerWaalsContact CZ-CZ 3.41Å; I132-Y152 HydrophobicContact CD1-CD2 4.12Å; I132-Y152 HydrophobicContact CD1-CG 4.35Å; M148-Y152 HydrophobicContact CG-CD2 3.98Å; M148-Y152 HydrophobicContact CG-CE2 4.32Å; M148-Y152 WeakPolarHBondContact O-CD2 3.26Å; M148-Y152 PolarHBondContact O-N 2.82Å; M148-Y152 VanDerWaalsContact O-N 3.11Å; Y150-Y152 VanDerWaalsContact C-N 3.31Å; Y150-Y152 PolarHBondContact O-N 3.43Å; Y152-C154 PolarHBondContact O-N 3.3Å; Y152-G268 VanDerWaalsContact O-CA 3.26Å; Y152-G268 WeakPolarHBondContact O-CA 3.48Å
153K93.5Very high96.2Very high128 Ų12815.8 Ų15.856%0.5579%0.085SC*.THydrogen-bonded Turntrans51.342.5-178.2-57.4-171.4176.8-167.80111.9V149 Y150 M151 P155V149-K153 PolarHBondContact O-N 3.19Å; Y150-K153 PolarHBondContact O-N 2.82Å; M151-K153 VanDerWaalsContact C-N 3.33Å; K153-P155 WeakPolarHBondContact O-CD 3.41Å
154C96.6Very high96.1Very high0 Ų022 Ų220%011%0.112CC..  trans-66124.1-175.9-59.10000109.6V149 Y152 H222 V224 P269 V271V149-C154 HydrophobicContact CG1-CB 4.07Å; V149-C154 PolarHBondContact O-N 3.33Å; Y152-C154 PolarHBondContact O-N 3.3Å; C154-H222 PolarHBondContact O-NE2 3.43Å; C154-V224 WeakPolarHBondContact O-CG2 3.42Å; C154-P269 VanDerWaalsContact CB-O 3.3Å; C154-P269 WeakPolarHBondContact CB-O 3.34Å; C154-P269 PolarHBondContact SG-O 3.32Å; C154-P269 VanDerWaalsContact SG-O 3.37Å; C154-V271 HydrophobicContact CB-CG2 3.94Å
155P96.9Very high95.8Very high13 Ų1324 Ų248%0.08412%0.118CC..  trans-85-24.2-179.532.6-35.8000113K153 V224 T225 L257 I267 G268K153-P155 WeakPolarHBondContact O-CD 3.41Å; P155-V224 WeakPolarHBondContact O-CA 3.32Å; P155-T225 PolarHBondContact O-N 3.34Å; P155-L257 HydrophobicContact CB-CD2 3.51Å; P155-L257 HydrophobicContact CG-CD2 3.71Å; P155-I267 HydrophobicContact CG-CG2 3.99Å; P155-G268 WeakPolarHBondContact CD-O 3.5Å
156F98.6Very high95.5Very high8 Ų830.2 Ų30.24%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-131.3143.4-171.7-60.1-62.1000111.9T225 M227 Y250 N253 Y254 L257 T270 V271F156-T225 CarbonylContact C-O 3.5Å; F156-T225 VanDerWaalsContact CA-O 3.29Å; F156-T225 WeakPolarHBondContact CA-O 3.44Å; F156-T225 HydrophobicContact CD1-CG2 4.39Å; F156-M227 HydrophobicContact CB-CE 4.36Å; F156-M227 HydrophobicContact CD1-CE 3.82Å; F156-M227 HydrophobicContact CG-CE 4.25Å; F156-Y250 HydrophobicContact CD2-CE2 4.27Å; F156-Y250 HydrophobicContact CG-CE2 4.5Å; F156-N253 HydrophobicContact CE1-CB 3.76Å; F156-N253 HydrophobicContact CZ-CB 3.96Å; F156-Y254 HydrophobicContact CD2-CD2 4.01Å; F156-Y254 AromaticContact CE2-CD2 3.7Å; F156-Y254 HydrophobicContact CE2-CD2 3.7Å; F156-Y254 HydrophobicContact CE2-CG 4.33Å; F156-L257 HydrophobicContact CE2-CB 4.39Å; F156-L257 HydrophobicContact CE2-CD2 3.67Å; F156-L257 HydrophobicContact CZ-CB 4.12Å; F156-L257 HydrophobicContact CZ-CD2 3.99Å; F156-T270 HydrophobicContact CB-CG2 3.86Å; F156-V271 PolarHBondContact O-N 2.81Å
157I98.8Very high95.1Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-123.8120.9166.5-59.4167.3000107.9F145 W146 V149 Y174 V224 T225 Q226 M227 V271F145-I157 HydrophobicContact CE1-CD1 3.95Å; F145-I157 HydrophobicContact CZ-CD1 4.09Å; F145-I157 HydrophobicContact CZ-CG1 4.48Å; F145-I157 HydrophobicContact CZ-CG2 4.17Å; W146-I157 HydrophobicContact CH2-CD1 3.98Å; W146-I157 HydrophobicContact CZ3-CD1 4.02Å; V149-I157 HydrophobicContact CG1-CD1 4.47Å; V149-I157 HydrophobicContact CG2-CD1 4.18Å; I157-Y174 WeakPolarHBondContact CG2-OH 3.48Å; I157-V224 HydrophobicContact CD1-CG1 3.72Å; I157-V224 HydrophobicContact CG1-CG1 3.81Å; I157-T225 PolarHBondContact N-O 3.46Å; I157-Q226 HydrophobicContact CB-CB 4.15Å; I157-Q226 HydrophobicContact CB-CG 4.13Å; I157-Q226 HydrophobicContact CG2-CG 4.12Å; I157-Q226 CarbonylContact O-C 3.57Å; I157-Q226 WeakPolarHBondContact O-CA 3.08Å; I157-M227 PolarHBondContact O-N 3.43Å; I157-V271 CarbonylContact C-O 3.53Å; I157-V271 VanDerWaalsContact CA-O 3.3Å; I157-V271 WeakPolarHBondContact CA-O 3.37Å; I157-V271 HydrophobicContact CG1-CB 4.18Å
158V98.7Very high95Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-103.4108.4171.4-175.80000108.1L160 M227 L246 Y250 T270 V271 V272 H273 F284V158-L160 HydrophobicContact CG1-CD2 3.73Å; V158-L160 HydrophobicContact CG1-CG 4Å; V158-M227 HydrophobicContact CG2-CE 4.36Å; V158-L246 HydrophobicContact CG1-CD2 4.4Å; V158-Y250 HydrophobicContact CG2-CD2 4.17Å; V158-T270 HydrophobicContact CG2-CG2 3.99Å; V158-V271 PolarHBondContact N-O 3.43Å; V158-V272 HydrophobicContact CB-CG1 4.26Å; V158-V272 HydrophobicContact CB-CG2 4.34Å; V158-V272 WeakPolarHBondContact O-CA 3.31Å; V158-H273 PolarHBondContact O-N 2.87Å; V158-F284 HydrophobicContact CB-CE1 4.09Å; V158-F284 HydrophobicContact CB-CZ 4.48Å; V158-F284 HydrophobicContact CG1-CD1 4.13Å; V158-F284 HydrophobicContact CG1-CE1 3.8Å; V158-F284 HydrophobicContact CG1-CE2 4.33Å; V158-F284 HydrophobicContact CG1-CZ 3.9Å; V158-F284 HydrophobicContact CG2-CE1 3.87Å; V158-F284 HydrophobicContact CG2-CZ 4.05Å
159M98.5Very high94.9Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-100112.8179.7172.9171.417900109T161 L163 Y174 W175 M227 H228 F229 H273M159-T161 HydrophobicContact CE-CG2 4.34Å; M159-T161 WeakPolarHBondContact CE-O 3.37Å; M159-L163 HydrophobicContact CE-CD2 3.92Å; M159-Y174 HydrophobicContact CE-CE1 4.44Å; M159-Y174 HydrophobicContact SD-CE1 3.8Å; M159-W175 HydrophobicContact CE-CH2 3.81Å; M159-W175 HydrophobicContact CE-CZ3 3.81Å; M159-W175 HydrophobicContact SD-CH2 3.9Å; M159-W175 HydrophobicContact SD-CZ3 3.56Å; M159-W175 VanDerWaalsContact SD-CZ3 3.56Å; M159-M227 PolarHBondContact N-O 2.67Å; M159-H228 HydrophobicContact CB-CB 4.22Å; M159-H228 HydrophobicContact CG-CB 4.44Å; M159-H228 CarbonylContact O-C 3.46Å; M159-H228 WeakPolarHBondContact O-CA 3.13Å; M159-H228 HydrophobicContact SD-CB 4.38Å; M159-F229 PolarHBondContact O-N 2.94Å; M159-H273 VanDerWaalsContact CB-NE2 3.34Å; M159-H273 WeakPolarHBondContact CB-NE2 3.34Å; M159-H273 VanDerWaalsContact CG-CE1 3.47Å; M159-H273 WeakPolarHBondContact CG-CE1 3.47Å; M159-H273 WeakPolarHBondContact CG-NE2 3.18Å
160L98Very high94.8Very high0 Ų044.1 Ų44.10%024%0.24CC..  trans-104.825.6-172-60167.6000112.6V158 F229 W232 L246 V272 H273 C274 R280 F284V158-L160 HydrophobicContact CG1-CD2 3.73Å; V158-L160 HydrophobicContact CG1-CG 4Å; L160-F229 HydrophobicContact CD2-CB 4.07Å; L160-F229 HydrophobicContact CD2-CD1 4.37Å; L160-W232 HydrophobicContact CD2-CE3 4.33Å; L160-W232 HydrophobicContact CD2-CZ3 4.32Å; L160-L246 HydrophobicContact CD2-CD2 3.68Å; L160-V272 HydrophobicContact CD1-CG1 3.79Å; L160-H273 PolarHBondContact N-O 3.43Å; L160-C274 HydrophobicContact CB-CB 4.15Å; L160-R280 HydrophobicContact CB-CB 4.07Å; L160-R280 HydrophobicContact CD1-CB 4.24Å; L160-R280 WeakPolarHBondContact CD1-O 3.23Å; L160-R280 WeakPolarHBondContact O-CD 3.11Å; L160-R280 PolarHBondContact O-NH1 2.93Å; L160-F284 HydrophobicContact CD1-CB 3.56Å; L160-F284 HydrophobicContact CD1-CD1 4.49Å; L160-F284 HydrophobicContact CD1-CG 4.1Å; L160-F284 HydrophobicContact CD2-CB 4.36Å; L160-F284 HydrophobicContact CD2-CD2 4.41Å; L160-F284 HydrophobicContact CD2-CG 4.35Å
161T96Very high94.9Very high0 Ų042.9 Ų42.90%024%0.235CC..SBendtrans-149.8151.4-176.1-1710000111.5M159 I170 C171 H228 C274M159-T161 HydrophobicContact CE-CG2 4.34Å; M159-T161 WeakPolarHBondContact CE-O 3.37Å; T161-I170 WeakPolarHBondContact OG1-CD1 3.47Å; T161-C171 HydrophobicContact CG2-CB 3.98Å; T161-H228 PolarHBondContact O-CD2 3Å; T161-H228 PolarHBondContact O-NE2 3.04Å; T161-C274 WeakPolarHBondContact CG2-O 3.22Å
162G94.7Very high95.2Very high33 Ų3344 Ų4434%0.3424%0.242SC..  trans-73.5176.8160.200000112.1I170G162-I170 WeakPolarHBondContact O-CG1 3.32Å
163L95.8Very high95.4Very high55 Ų5546.5 Ų46.529%0.28826%0.255SS..SBendtrans-78.7-32-179.9-61.2175.5000112.9M159 I170 C171 L173 W175M159-L163 HydrophobicContact CE-CD2 3.92Å; L163-I170 PolarHBondContact O-N 3.35Å; L163-C171 WeakPolarHBondContact CA-O 3.41Å; L163-C171 HydrophobicContact CD2-CB 4.49Å; L163-C171 VanDerWaalsContact CD2-O 3.26Å; L163-C171 WeakPolarHBondContact CD2-O 3.35Å; L163-C171 PolarHBondContact O-N 3.14Å; L163-L173 HydrophobicContact CD1-CB 4.05Å; L163-L173 HydrophobicContact CD1-CD1 4.05Å; L163-L173 HydrophobicContact CD2-CB 4.3Å; L163-W175 HydrophobicContact CD1-CH2 4.43Å; L163-W175 HydrophobicContact CD2-CH2 3.77Å; L163-W175 HydrophobicContact CD2-CZ3 4.14Å; L163-W175 HydrophobicContact CG-CH2 4.36Å
164Q94Very high95.7Very high135 Ų13540.4 Ų40.463%0.63123%0.228SC*.EExtended strand (participates in β ladder)trans-128.6150.3-176.7-66.1-177.7-1100111.6Q168Q164-Q168 CarbonylContact C-O 3.59Å; Q164-Q168 WeakPolarHBondContact CA-O 3.35Å
165Y90.4Very high95.8Very high75 Ų7540.8 Ų40.829%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-142.8127.5169.8177.1-105.6000109.3G167 Q168 N234 F235Y165-G167 PolarHBondContact O-N 3.43Å; Y165-G167 VanDerWaalsContact O-N 3.15Å; Y165-Q168 PolarHBondContact N-O 3.25Å; Y165-Q168 PolarHBondContact O-N 2.68Å; Y165-N234 HydrophobicContact CD1-CB 3.92Å; Y165-N234 HydrophobicContact CD2-CB 3.49Å; Y165-N234 VanDerWaalsContact CD2-CB 3.49Å; Y165-N234 HydrophobicContact CE1-CB 4Å; Y165-N234 HydrophobicContact CE2-CB 3.59Å; Y165-N234 HydrophobicContact CG-CB 3.66Å; Y165-F235 HydrophobicContact CD1-CE2 4.41Å; Y165-F235 AromaticContact CE1-CD2 4Å; Y165-F235 HydrophobicContact CE1-CD2 4Å; Y165-F235 AromaticContact CE1-CE2 3.85Å; Y165-F235 HydrophobicContact CE1-CE2 3.85Å
166N90.8Very high95.8Very high132 Ų13240.2 Ų40.271%0.70623%0.226SC*.THydrogen-bonded Turntrans48.140.6-175.8-65.7-11.7000113.6Q168N166-Q168 PolarHBondContact O-N 2.82Å
167G90.9Very high95.8Very high69 Ų6946.5 Ų46.571%0.71126%0.256SS*.THydrogen-bonded Turntrans77.2-1.6-179.900000115.6Y165Y165-G167 PolarHBondContact O-N 3.43Å; Y165-G167 VanDerWaalsContact O-N 3.15Å
168Q92.1Very high95.7Very high143 Ų14353.4 Ų53.467%0.66829%0.286SS*.EExtended strand (participates in β ladder)trans-98.6137.3176.5-62-177.4-800110.7Q164 Y165 N166 I170Q164-Q168 CarbonylContact C-O 3.59Å; Q164-Q168 WeakPolarHBondContact CA-O 3.35Å; Y165-Q168 PolarHBondContact N-O 3.25Å; Y165-Q168 PolarHBondContact O-N 2.68Å; N166-Q168 PolarHBondContact O-N 2.82Å; Q168-I170 PolarHBondContact O-N 2.78Å
169T94.2Very high95.7Very high72 Ų7258.1 Ų58.144%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-68.9118.5171.6-58.90000109.7
170I93.8Very high95.7Very high10 Ų1063.6 Ų63.65%0.05134%0.34CS..SBendtrans-108.7-12.8178.559.6165.4000113.3Y72 T161 G162 L163 Q168 S275Y72-I170 WeakPolarHBondContact OH-CA 3.32Å; T161-I170 WeakPolarHBondContact OG1-CD1 3.47Å; G162-I170 WeakPolarHBondContact O-CG1 3.32Å; L163-I170 PolarHBondContact O-N 3.35Å; Q168-I170 PolarHBondContact O-N 2.78Å; I170-S275 WeakPolarHBondContact O-CB 3.48Å; I170-S275 PolarHBondContact O-OG 2.88Å
171C96.5Very high95.6Very high1 Ų167 Ų671%0.00736%0.36CS..SBendtrans-156.5125.3170.9-178.90000107.1T161 L163T161-C171 HydrophobicContact CG2-CB 3.98Å; L163-C171 WeakPolarHBondContact CA-O 3.41Å; L163-C171 HydrophobicContact CD2-CB 4.49Å; L163-C171 VanDerWaalsContact CD2-O 3.26Å; L163-C171 WeakPolarHBondContact CD2-O 3.35Å; L163-C171 PolarHBondContact O-N 3.14Å
172D97.6Very high95.6Very high44 Ų4470 Ų7024%0.23538%0.379CS..  trans-71.9150.7172.7-76.5-81.9000110.3P137 L138 K139 I142 Y174P137-D172 WeakPolarHBondContact O-CB 3.29Å; P137-D172 PolarHBondContact O-N 2.77Å; L138-D172 WeakPolarHBondContact CA-OD2 3.5Å; K139-D172 VanDerWaalsContact N-CG 3.32Å; K139-D172 PolarHBondContact N-OD2 2.72Å; I142-D172 HydrophobicContact CD1-CB 4.18Å; D172-Y174 WeakPolarHBondContact O-CD1 3.42Å; D172-Y174 PolarHBondContact O-N 3.35Å; D172-Y174 VanDerWaalsContact O-N 3.13Å
173L98.1Very high95.8Very high58 Ų5871.8 Ų71.830%0.30438%0.379SS..  trans-67.5111.9173.2179.5134.4000108.3I142 L163 W175 E177I142-L173 WeakPolarHBondContact CD1-O 3.29Å; L163-L173 HydrophobicContact CD1-CB 4.05Å; L163-L173 HydrophobicContact CD1-CD1 4.05Å; L163-L173 HydrophobicContact CD2-CB 4.3Å; L173-W175 HydrophobicContact CD1-CZ2 3.86Å; L173-W175 WeakPolarHBondContact CD2-O 3.36Å; L173-W175 HydrophobicContact CG-CD2 4.29Å; L173-W175 HydrophobicContact CG-CZ2 4.25Å; L173-E177 HydrophobicContact CD1-CG 4.02Å; L173-E177 HydrophobicContact CD2-CG 4.22Å
174Y98.5Very high95.8Very high0 Ų074 Ų740%039%0.388CS..  trans-10713.1-173.462.2-98.5000112.9P137 F145 W146 I157 M159 D172 Q226 H273P137-Y174 HydrophobicContact CB-CD1 4.25Å; P137-Y174 HydrophobicContact CB-CG 4.4Å; P137-Y174 HydrophobicContact CG-CD1 3.65Å; P137-Y174 HydrophobicContact CG-CE1 4.21Å; P137-Y174 HydrophobicContact CG-CG 3.88Å; F145-Y174 HydrophobicContact CD1-CD2 4.11Å; F145-Y174 HydrophobicContact CD1-CE2 4.47Å; F145-Y174 AromaticContact CE1-CD2 3.71Å; F145-Y174 HydrophobicContact CE1-CD2 3.71Å; F145-Y174 AromaticContact CE1-CE2 3.63Å; F145-Y174 HydrophobicContact CE1-CE2 3.63Å; F145-Y174 HydrophobicContact CE1-CG 4.47Å; F145-Y174 HydrophobicContact CZ-CD2 4.42Å; F145-Y174 HydrophobicContact CZ-CE2 4.01Å; W146-Y174 VanDerWaalsContact CE2-O 3.3Å; W146-Y174 AromaticContact CZ2-CD2 3.91Å; W146-Y174 HydrophobicContact CZ2-CD2 3.91Å; W146-Y174 HydrophobicContact CZ2-CE2 4.33Å; W146-Y174 WeakPolarHBondContact CZ2-O 3.36Å; W146-Y174 PolarHBondContact NE1-O 2.73Å; I157-Y174 WeakPolarHBondContact CG2-OH 3.48Å; M159-Y174 HydrophobicContact CE-CE1 4.44Å; M159-Y174 HydrophobicContact SD-CE1 3.8Å; D172-Y174 WeakPolarHBondContact O-CD1 3.42Å; D172-Y174 PolarHBondContact O-N 3.35Å; D172-Y174 VanDerWaalsContact O-N 3.13Å; Y174-Q226 PolarHBondContact OH-NE2 3Å; Y174-H273 AromaticContact CE1-CE1 3.62Å; Y174-H273 AromaticContact CE1-NE2 3.45Å; Y174-H273 WeakPolarHBondContact CE1-NE2 3.37Å; Y174-H273 AromaticContact CZ-NE2 3.41Å; Y174-H273 PolarHBondContact OH-NE2 3.2Å
175W98.5Very high95.9Very high9 Ų968.9 Ų68.93%0.03436%0.363CS..SBendtrans-133.5153.6-175.963.282.3000112W146 M159 L163 L173 Y185 F210W146-W175 HydrophobicContact CZ2-CB 4.4Å; M159-W175 HydrophobicContact CE-CH2 3.81Å; M159-W175 HydrophobicContact CE-CZ3 3.81Å; M159-W175 HydrophobicContact SD-CH2 3.9Å; M159-W175 HydrophobicContact SD-CZ3 3.56Å; M159-W175 VanDerWaalsContact SD-CZ3 3.56Å; L163-W175 HydrophobicContact CD1-CH2 4.43Å; L163-W175 HydrophobicContact CD2-CH2 3.77Å; L163-W175 HydrophobicContact CD2-CZ3 4.14Å; L163-W175 HydrophobicContact CG-CH2 4.36Å; L173-W175 HydrophobicContact CD1-CZ2 3.86Å; L173-W175 WeakPolarHBondContact CD2-O 3.36Å; L173-W175 HydrophobicContact CG-CD2 4.29Å; L173-W175 HydrophobicContact CG-CZ2 4.25Å; W175-Y185 VanDerWaalsContact C-OH 3.25Å; W175-F210 HydrophobicContact CB-CE1 3.69Å; W175-F210 HydrophobicContact CB-CZ 3.55Å; W175-F210 HydrophobicContact CG-CE1 4.32Å; W175-F210 AromaticContact CG-CZ 3.97Å; W175-F210 HydrophobicContact CG-CZ 3.97Å
176P98.1Very high96.1Very high0 Ų072.8 Ų72.80%038%0.381CS..  trans-67.2136.4173.626.1-34.5000111.6E183 V194 L196 F210P176-E183 WeakPolarHBondContact CA-OE1 3.17Å; P176-E183 HydrophobicContact CB-CB 4.07Å; P176-E183 HydrophobicContact CB-CG 3.8Å; P176-V194 HydrophobicContact CG-CB 4.48Å; P176-V194 HydrophobicContact CG-CG1 4.01Å; P176-L196 HydrophobicContact CG-CB 4.03Å; P176-F210 HydrophobicContact CG-CD1 4.36Å; P176-F210 HydrophobicContact CG-CE1 4.33Å
177E97Very high96.2Very high140 Ų14067.2 Ų67.265%0.65435%0.353SS*.  trans-91.3-20.7179.1-63.6-171108.500113.2L173L173-E177 HydrophobicContact CD1-CG 4.02Å; L173-E177 HydrophobicContact CD2-CG 4.22Å
178K98.2Very high95.9Very high145 Ų14569 Ų6963%0.6335%0.35SS*.SBendtrans-91.1127.4-178.5-68179-177.2174.40110.9N180 V181K178-N180 PolarHBondContact O-N 2.92Å; K178-V181 HydrophobicContact CB-CB 3.89Å; K178-V181 HydrophobicContact CB-CG2 3.91Å
179L98.2Very high95.6Very high100 Ų10065 Ų6552%0.52435%0.348SS..BIsolated β-bridgetrans-60.8134.4174-69.1170.8000111.1V181 L196L179-V181 PolarHBondContact O-N 3.35Å; L179-V181 VanDerWaalsContact O-N 3.14Å; L179-L196 WeakPolarHBondContact CA-O 3.3Å; L179-L196 HydrophobicContact CD2-CD2 3.92Å; L179-L196 HydrophobicContact CD2-CG 3.91Å; L179-L196 HydrophobicContact CG-CD2 4.49Å
180N97.9Very high95.2Very high115 Ų11562.9 Ų62.962%0.61533%0.332SS*.THydrogen-bonded Turntrans58.221.5175.6-54.4-53.8000115K178 L196K178-N180 PolarHBondContact O-N 2.92Å; N180-L196 PolarHBondContact N-O 2.76Å
181V97.4Very high95.2Very high70 Ų7064.9 Ų64.942%0.42434%0.341SS..  trans-113.5115.4172.8-179.30000108.2K178 L179K178-V181 HydrophobicContact CB-CB 3.89Å; K178-V181 HydrophobicContact CB-CG2 3.91Å; L179-V181 PolarHBondContact O-N 3.35Å; L179-V181 VanDerWaalsContact O-N 3.14Å
182P95.7Very high95.2Very high63 Ų6364.9 Ų64.941%0.40934%0.341SS..EExtended strand (participates in β ladder)trans-68.7137.617826.8-32.6000111S193 V194P182-S193 WeakPolarHBondContact CB-OG 3.34Å; P182-V194 WeakPolarHBondContact CA-O 3.42Å
183E97.4Very high95.1Very high71 Ų7163.4 Ų63.433%0.33233%0.334SS..EExtended strand (participates in β ladder)trans-111.8146.7162.9-73.6-176.7-156.100109.8P176 Y185 V194P176-E183 WeakPolarHBondContact CA-OE1 3.17Å; P176-E183 HydrophobicContact CB-CB 4.07Å; P176-E183 HydrophobicContact CB-CG 3.8Å; E183-Y185 HydrophobicContact CB-CE2 4.21Å; E183-Y185 PolarHBondContact OE2-OH 3.3Å; E183-V194 PolarHBondContact N-O 3Å; E183-V194 PolarHBondContact O-N 2.85Å
184H96.8Very high95.1Very high101 Ų10160.7 Ų60.747%0.46832%0.32SS..EExtended strand (participates in β ladder)trans-111.6124.7-175.8-60.4-74.2000110.8E191 I192H184-E191 HydrophobicContact CB-CG 4.1Å; H184-I192 WeakPolarHBondContact CA-O 3.46Å
185Y96.7Very high95.1Very high28 Ų2861.8 Ų61.811%0.1133%0.327CS..EExtended strand (participates in β ladder)trans-115.5123.9178.7-54.9-72.2000110.6I142 W146 W175 E183 E191 I192 V194I142-Y185 HydrophobicContact CB-CD1 4.48Å; I142-Y185 HydrophobicContact CG2-CD1 3.36Å; I142-Y185 HydrophobicContact CG2-CE1 3.69Å; I142-Y185 HydrophobicContact CG2-CG 3.84Å; W146-Y185 AromaticContact CD1-CD2 3.24Å; W146-Y185 AromaticContact CD1-CE2 3.74Å; W146-Y185 AromaticContact CD1-CG 3.68Å; W146-Y185 HydrophobicContact CG-CD2 4.01Å; W146-Y185 AromaticContact NE1-CD2 3.51Å; W146-Y185 AromaticContact NE1-CE2 3.47Å; W175-Y185 VanDerWaalsContact C-OH 3.25Å; E183-Y185 HydrophobicContact CB-CE2 4.21Å; E183-Y185 PolarHBondContact OE2-OH 3.3Å; Y185-E191 WeakPolarHBondContact O-CA 3.29Å; Y185-I192 PolarHBondContact N-O 3.38Å; Y185-I192 PolarHBondContact O-N 3.42Å; Y185-V194 HydrophobicContact CD2-CB 4.15Å; Y185-V194 HydrophobicContact CD2-CG2 3.63Å; Y185-V194 HydrophobicContact CE2-CB 3.84Å; Y185-V194 HydrophobicContact CE2-CG1 4.49Å; Y185-V194 HydrophobicContact CE2-CG2 3.8Å
186K94.8Very high95.1Very high157 Ų15761.6 Ų61.668%0.68333%0.327SS*.EExtended strand (participates in β ladder)trans-96.1128.1-174.8-66.9-179.7176.91790111.6G143 F190 E191G143-K186 WeakPolarHBondContact CA-O 3.29Å; K186-F190 WeakPolarHBondContact CA-O 3.34Å; K186-E191 WeakPolarHBondContact CE-OE2 3.43Å; K186-E191 HydrophobicContact CG-CB 4.35Å; K186-E191 HydrophobicContact CG-CG 4.03Å; K186-E191 IonicContact NZ-OE2 3.88Å
187S91.3Very high95.1Very high16 Ų1664.8 Ų64.811%0.11234%0.343CS..EExtended strand (participates in β ladder)trans-113.4175.3165.7179.70000108.8D144 H147 G189 F190D144-S187 VanDerWaalsContact OD1-CB 3.3Å; D144-S187 WeakPolarHBondContact OD1-CB 3.49Å; D144-S187 PolarHBondContact OD1-OG 3.4Å; H147-S187 PolarHBondContact ND1-OG 2.64Å; S187-G189 PolarHBondContact O-N 2.94Å; S187-F190 PolarHBondContact N-O 3.1Å; S187-F190 PolarHBondContact O-N 2.94Å
188T85.9Confident95.2Very high106 Ų10662.2 Ų62.265%0.6533%0.331SS*.THydrogen-bonded Turntrans-59.8112.9177.2-59.50000109.8N85 F190N85-T188 PolarHBondContact OD1-O 3.38Å; T188-F190 PolarHBondContact O-N 2.82Å
189G84.4Confident95.2Very high60 Ų6058.4 Ų58.462%0.61932%0.32SS*.THydrogen-bonded Turntrans699.6179.800000115.6S187S187-G189 PolarHBondContact O-N 2.94Å
190F87.3Confident95.1Very high27 Ų2757.1 Ų57.112%0.11831%0.314CS..EExtended strand (participates in β ladder)trans-137.3143.7-175.1-95.6-95.1000111.3K84 T86 H147 K186 S187 T188 I192 M214K84-F190 WeakPolarHBondContact O-CE2 3.28Å; T86-F190 HydrophobicContact CG2-CD1 4.27Å; T86-F190 HydrophobicContact CG2-CD2 4.01Å; T86-F190 HydrophobicContact CG2-CE1 3.74Å; T86-F190 HydrophobicContact CG2-CE2 3.48Å; T86-F190 VanDerWaalsContact CG2-CE2 3.48Å; T86-F190 HydrophobicContact CG2-CG 4.39Å; T86-F190 HydrophobicContact CG2-CZ 3.32Å; H147-F190 AromaticContact CD2-CD1 3.8Å; H147-F190 AromaticContact CD2-CG 3.85Å; H147-F190 AromaticContact CE1-CD2 3.24Å; H147-F190 WeakPolarHBondContact CE1-CD2 3.35Å; H147-F190 AromaticContact CE1-CE2 3.65Å; H147-F190 AromaticContact CE1-CG 3.55Å; H147-F190 AromaticContact ND1-CG 3.93Å; H147-F190 AromaticContact NE2-CD1 3.74Å; H147-F190 AromaticContact NE2-CD2 3.35Å; H147-F190 WeakPolarHBondContact NE2-CD2 3.09Å; H147-F190 AromaticContact NE2-CE1 3.82Å; H147-F190 AromaticContact NE2-CE2 3.37Å; H147-F190 WeakPolarHBondContact NE2-CE2 3.49Å; H147-F190 AromaticContact NE2-CG 3.52Å; H147-F190 AromaticContact NE2-CZ 3.64Å; K186-F190 WeakPolarHBondContact CA-O 3.34Å; S187-F190 PolarHBondContact N-O 3.1Å; S187-F190 PolarHBondContact O-N 2.94Å; T188-F190 PolarHBondContact O-N 2.82Å; F190-I192 HydrophobicContact CD1-CD1 4.18Å; F190-M214 HydrophobicContact CD1-CE 3.43Å; F190-M214 VanDerWaalsContact CD1-CE 3.43Å; F190-M214 HydrophobicContact CD1-SD 3.27Å; F190-M214 WeakPolarHBondContact CD1-SD 3.36Å; F190-M214 HydrophobicContact CE1-CE 3.42Å; F190-M214 VanDerWaalsContact CE1-CE 3.42Å; F190-M214 HydrophobicContact CE1-SD 3.36Å; F190-M214 WeakPolarHBondContact CE1-SD 3.4Å; F190-M214 HydrophobicContact CG-CE 4.36Å; F190-M214 HydrophobicContact CZ-CE 4.37Å
191E93.3Very high94.9Very high52 Ų5259.4 Ų59.424%0.24332%0.321CS..EExtended strand (participates in β ladder)trans-138119.8170.3-178.1-179.664.300109.1H184 Y185 K186 S215H184-E191 HydrophobicContact CB-CG 4.1Å; Y185-E191 WeakPolarHBondContact O-CA 3.29Å; K186-E191 WeakPolarHBondContact CE-OE2 3.43Å; K186-E191 HydrophobicContact CG-CB 4.35Å; K186-E191 HydrophobicContact CG-CG 4.03Å; K186-E191 IonicContact NZ-OE2 3.88Å; E191-S215 WeakPolarHBondContact CB-OG 3.19Å; E191-S215 PolarHBondContact O-N 2.98Å; E191-S215 PolarHBondContact O-OG 3.29Å; E191-S215 VanDerWaalsContact OE1-CB 3.22Å; E191-S215 WeakPolarHBondContact OE1-CB 3.26Å; E191-S215 PolarHBondContact OE1-OG 3.3Å
192I95.2Very high94.6Very high1 Ų157.9 Ų57.91%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-103.1127.5-178-52.7-55.4000108.2W146 Y150 H184 Y185 F190 V194 I212 M214W146-I192 HydrophobicContact CB-CB 4.12Å; W146-I192 HydrophobicContact CB-CG1 4.31Å; W146-I192 HydrophobicContact CB-CG2 4.19Å; Y150-I192 HydrophobicContact CD1-CD1 3.98Å; Y150-I192 HydrophobicContact CD2-CD1 4.35Å; Y150-I192 HydrophobicContact CG-CD1 3.77Å; H184-I192 WeakPolarHBondContact CA-O 3.46Å; Y185-I192 PolarHBondContact N-O 3.38Å; Y185-I192 PolarHBondContact O-N 3.42Å; F190-I192 HydrophobicContact CD1-CD1 4.18Å; I192-V194 HydrophobicContact CG2-CG2 4.01Å; I192-I212 HydrophobicContact CG2-CB 4.26Å; I192-M214 HydrophobicContact CD1-SD 3.59Å; I192-M214 VanDerWaalsContact CD1-SD 3.59Å
193S97Very high94.4Very high13 Ų1359 Ų599%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-86.5126.8167.7-174.70000108.7P182 I212 S213P182-S193 WeakPolarHBondContact CB-OG 3.34Å; S193-I212 VanDerWaalsContact O-CA 3.31Å; S193-I212 WeakPolarHBondContact O-CA 3.45Å; S193-S213 PolarHBondContact N-O 2.92Å; S193-S213 PolarHBondContact O-N 3.37Å
194V98.1Very high94.2Very high0 Ų055.6 Ų55.60%030%0.3CS..EExtended strand (participates in β ladder)trans-123.3126.6178.6-177.50000108W146 P176 P182 E183 Y185 I192 F210 I212W146-V194 HydrophobicContact CB-CG2 4.45Å; W146-V194 HydrophobicContact CD2-CG1 4.48Å; W146-V194 HydrophobicContact CD2-CG2 3.56Å; W146-V194 HydrophobicContact CE3-CG2 3.89Å; W146-V194 HydrophobicContact CG-CG2 3.82Å; W146-V194 HydrophobicContact CH2-CG1 3.82Å; W146-V194 HydrophobicContact CZ2-CG1 3.74Å; W146-V194 HydrophobicContact CZ2-CG2 4.3Å; W146-V194 HydrophobicContact CZ3-CG1 4.22Å; W146-V194 HydrophobicContact CZ3-CG2 4.37Å; P176-V194 HydrophobicContact CG-CB 4.48Å; P176-V194 HydrophobicContact CG-CG1 4.01Å; P182-V194 WeakPolarHBondContact CA-O 3.42Å; E183-V194 PolarHBondContact N-O 3Å; E183-V194 PolarHBondContact O-N 2.85Å; Y185-V194 HydrophobicContact CD2-CB 4.15Å; Y185-V194 HydrophobicContact CD2-CG2 3.63Å; Y185-V194 HydrophobicContact CE2-CB 3.84Å; Y185-V194 HydrophobicContact CE2-CG1 4.49Å; Y185-V194 HydrophobicContact CE2-CG2 3.8Å; I192-V194 HydrophobicContact CG2-CG2 4.01Å; V194-F210 HydrophobicContact CG1-CB 4.19Å; V194-F210 HydrophobicContact CG1-CD1 3.97Å; V194-F210 HydrophobicContact CG1-CG 4.24Å; V194-I212 HydrophobicContact CB-CG2 4.32Å; V194-I212 HydrophobicContact CG1-CG2 4.05Å; V194-I212 HydrophobicContact CG2-CG2 3.95Å
195T98.1Very high94.1Very high24 Ų2451.7 Ų51.715%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-124123.4-179.5-520000109.6L197 F210 N211T195-L197 HydrophobicContact CG2-CD2 4.15Å; T195-L197 PolarHBondContact O-N 3.49Å; T195-F210 CarbonylContact O-C 3.56Å; T195-F210 WeakPolarHBondContact O-CA 3.47Å; T195-N211 PolarHBondContact N-O 2.84Å; T195-N211 PolarHBondContact O-N 2.82Å
196L98.8Very high94.1Very high5 Ų551.6 Ų51.63%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-73.6118.6171.5-179.868.9000109.5P176 L179 N180 E198 R208 F210P176-L196 HydrophobicContact CG-CB 4.03Å; L179-L196 WeakPolarHBondContact CA-O 3.3Å; L179-L196 HydrophobicContact CD2-CD2 3.92Å; L179-L196 HydrophobicContact CD2-CG 3.91Å; L179-L196 HydrophobicContact CG-CD2 4.49Å; N180-L196 PolarHBondContact N-O 2.76Å; L196-E198 WeakPolarHBondContact CD1-O 3.36Å; L196-R208 HydrophobicContact CD1-CB 3.85Å; L196-R208 HydrophobicContact CD1-CG 4.26Å; L196-F210 HydrophobicContact CB-CD1 4.18Å; L196-F210 HydrophobicContact CB-CE1 4.12Å; L196-F210 HydrophobicContact CD1-CD1 3.89Å; L196-F210 HydrophobicContact CD1-CE1 3.45Å; L196-F210 VanDerWaalsContact CD1-CE1 3.45Å; L196-F210 HydrophobicContact CD1-CZ 4.1Å; L196-F210 HydrophobicContact CG-CE1 4.37Å
197L98.5Very high94.3Very high66 Ų6645.8 Ų45.835%0.34626%0.257SS..EExtended strand (participates in β ladder)trans-95.2-41.4178.7-55.6-174.2000112.1T195 I209 N211T195-L197 HydrophobicContact CG2-CD2 4.15Å; T195-L197 PolarHBondContact O-N 3.49Å; L197-I209 WeakPolarHBondContact CB-O 3.45Å; L197-I209 HydrophobicContact CD1-CG2 4.29Å; L197-I209 PolarHBondContact N-O 2.86Å; L197-N211 HydrophobicContact CD1-CB 4.03Å; L197-N211 HydrophobicContact CD2-CB 4.17Å; L197-N211 HydrophobicContact CG-CB 4.22Å
198E98.2Very high94.6Very high87 Ų8746.2 Ų46.241%0.40726%0.257SS..EExtended strand (participates in β ladder)trans-149.2146-170.8-167.4176.4166.800110.9L196 N200 R208 I209L196-E198 WeakPolarHBondContact CD1-O 3.36Å; E198-N200 VanDerWaalsContact CD-ND2 3.34Å; E198-N200 PolarHBondContact OE1-ND2 3.31Å; E198-R208 WeakPolarHBondContact O-CA 3.43Å; E198-I209 HydrophobicContact CB-CB 4.12Å; E198-I209 HydrophobicContact CB-CD1 4.34Å; E198-I209 HydrophobicContact CB-CG1 4.29Å; E198-I209 PolarHBondContact N-O 2.88Å; E198-I209 PolarHBondContact O-N 2.9Å; E198-I209 WeakPolarHBondContact OE2-CD1 3.49Å
199T98.1Very high95.2Very high64 Ų6442.7 Ų42.739%0.39323%0.233SC..EExtended strand (participates in β ladder)trans-136.1122.7170.1-64.30000109.5I206 K207 R208T199-I206 HydrophobicContact CG2-CG2 3.76Å; T199-K207 CarbonylContact C-O 3.54Å; T199-K207 WeakPolarHBondContact CA-O 3.48Å; T199-R208 HydrophobicContact CG2-CG 4.33Å
200N96.8Very high95.9Very high73 Ų7339.8 Ų39.839%0.3920%0.204SC..EExtended strand (participates in β ladder)trans-121.4127.7174.8-64.7-62.9000109.3E198 K207E198-N200 VanDerWaalsContact CD-ND2 3.34Å; E198-N200 PolarHBondContact OE1-ND2 3.31Å; N200-K207 HydrophobicContact CB-CB 4.42Å; N200-K207 PolarHBondContact N-O 2.75Å; N200-K207 PolarHBondContact O-N 2.89Å
201Q93.9Very high96.4Very high163 Ų16340.4 Ų40.476%0.76221%0.208SC*.EExtended strand (participates in β ladder)trans-102.6128.9177.7-178.3167.8-31.100110I206Q201-I206 HydrophobicContact CG-CG1 4.25Å
202S90.6Very high96.6Very high38 Ų3838 Ų3827%0.26620%0.197SC..  trans-101-171.3167.679.90000110.3C204 F205S202-C204 VanDerWaalsContact C-N 3.31Å; S202-C204 PolarHBondContact OG-N 3.42Å; S202-F205 PolarHBondContact N-O 2.95Å; S202-F205 WeakPolarHBondContact OG-CD1 3.34Å; S202-F205 WeakPolarHBondContact OG-CD2 3.5Å; S202-F205 WeakPolarHBondContact OG-CE1 3.41Å; S202-F205 WeakPolarHBondContact OG-CE2 3.45Å; S202-F205 VanDerWaalsContact OG-CG 3.29Å; S202-F205 WeakPolarHBondContact OG-CG 3.38Å; S202-F205 WeakPolarHBondContact OG-CZ 3.23Å; S202-F205 PolarHBondContact OG-N 2.99Å; S202-F205 PolarHBondContact OG-O 3.12Å
203D91.3Very high96.6Very high87 Ų8738.5 Ų38.547%0.46520%0.201SC..SBendtrans-74.9-18.4175.765.1-29.2000113.8K245D203-K245 IonicContact OD1-NZ 3.03Å; D203-K245 IonicContact OD2-NZ 3.32Å; D203-K245 PolarHBondContact OD2-NZ 2.85Å
204C93.5Very high96.3Very high0 Ų039.2 Ų39.20%020%0.203CC..SBendtrans-136.5-3.9-175.656.50000115.8S202 F229 T230 E231 Y242S202-C204 VanDerWaalsContact C-N 3.31Å; S202-C204 PolarHBondContact OG-N 3.42Å; C204-F229 HydrophobicContact CB-CE2 4.08Å; C204-F229 WeakPolarHBondContact O-CD2 3.36Å; C204-T230 PolarHBondContact O-N 3.14Å; C204-T230 PolarHBondContact O-OG1 3.13Å; C204-E231 HydrophobicContact CB-CB 4.35Å; C204-E231 HydrophobicContact CB-CG 3.56Å; C204-Y242 HydrophobicContact CB-CD1 3.58Å; C204-Y242 HydrophobicContact CB-CD2 4.49Å; C204-Y242 HydrophobicContact CB-CE1 4.01Å; C204-Y242 HydrophobicContact CB-CG 3.86Å
205F94.1Very high95.5Very high18 Ų1840.9 Ų40.98%0.07922%0.215CC..EExtended strand (participates in β ladder)trans-152.4158.3174.354-97.1000112.5S202 H228 F229 L246 E249S202-F205 PolarHBondContact N-O 2.95Å; S202-F205 WeakPolarHBondContact OG-CD1 3.34Å; S202-F205 WeakPolarHBondContact OG-CD2 3.5Å; S202-F205 WeakPolarHBondContact OG-CE1 3.41Å; S202-F205 WeakPolarHBondContact OG-CE2 3.45Å; S202-F205 VanDerWaalsContact OG-CG 3.29Å; S202-F205 WeakPolarHBondContact OG-CG 3.38Å; S202-F205 WeakPolarHBondContact OG-CZ 3.23Å; S202-F205 PolarHBondContact OG-N 2.99Å; S202-F205 PolarHBondContact OG-O 3.12Å; F205-H228 CarbonylContact C-O 3.58Å; F205-H228 WeakPolarHBondContact CA-O 3.38Å; F205-H228 VanDerWaalsContact CB-O 3.28Å; F205-H228 WeakPolarHBondContact CB-O 3.44Å; F205-F229 HydrophobicContact CB-CD2 4.37Å; F205-L246 HydrophobicContact CD1-CD1 4.43Å; F205-E249 HydrophobicContact CE1-CB 4.25Å; F205-E249 HydrophobicContact CE1-CG 4.41Å; F205-E249 HydrophobicContact CE2-CG 3.85Å; F205-E249 HydrophobicContact CZ-CB 3.87Å; F205-E249 HydrophobicContact CZ-CG 3.62Å
206I97.2Very high94.6Very high27 Ų2747.2 Ų47.214%0.13825%0.248CC..EExtended strand (participates in β ladder)trans-107.6123.1169.8-57.6167.3000107.5T199 Q201 R208 H228 T230T199-I206 HydrophobicContact CG2-CG2 3.76Å; Q201-I206 HydrophobicContact CG-CG1 4.25Å; I206-R208 HydrophobicContact CG2-CG 4.13Å; I206-H228 HydrophobicContact CB-CB 4.36Å; I206-H228 PolarHBondContact N-O 2.71Å; I206-H228 WeakPolarHBondContact O-CB 3.4Å; I206-H228 PolarHBondContact O-N 2.84Å; I206-T230 HydrophobicContact CD1-CG2 4.07Å; I206-T230 HydrophobicContact CG1-CG2 4.14Å
207K98Very high93.5Very high34 Ų3450.2 Ų50.215%0.14826%0.264CS..EExtended strand (participates in β ladder)trans-98.5123.7175.2-172.8178.2-173.3171.40109.6T199 N200 T225 Q226 E249 N253T199-K207 CarbonylContact C-O 3.54Å; T199-K207 WeakPolarHBondContact CA-O 3.48Å; N200-K207 HydrophobicContact CB-CB 4.42Å; N200-K207 PolarHBondContact N-O 2.75Å; N200-K207 PolarHBondContact O-N 2.89Å; K207-T225 HydrophobicContact CD-CG2 4.34Å; K207-T225 HydrophobicContact CG-CG2 3.89Å; K207-Q226 CarbonylContact C-O 3.57Å; K207-Q226 VanDerWaalsContact CA-O 3.29Å; K207-Q226 WeakPolarHBondContact CA-O 3.41Å; K207-E249 IonicContact NZ-OE1 3.81Å; K207-E249 PolarHBondContact NZ-OE1 2.9Å; K207-N253 WeakPolarHBondContact CE-OD1 3Å; K207-N253 PolarHBondContact NZ-ND2 3.46Å; K207-N253 PolarHBondContact NZ-OD1 3.22Å
208R98.5Very high92.4Very high25 Ų2551.1 Ų51.19%0.09428%0.276CS..EExtended strand (participates in β ladder)trans-119.3138.6175.7-56.6-170.6-176.291.2-4.6110L196 E198 T199 I206 F210 T225 Q226L196-R208 HydrophobicContact CD1-CB 3.85Å; L196-R208 HydrophobicContact CD1-CG 4.26Å; E198-R208 WeakPolarHBondContact O-CA 3.43Å; T199-R208 HydrophobicContact CG2-CG 4.33Å; I206-R208 HydrophobicContact CG2-CG 4.13Å; R208-F210 HydrophobicContact CB-CE1 4.29Å; R208-F210 HydrophobicContact CB-CE2 3.71Å; R208-F210 HydrophobicContact CB-CZ 3.57Å; R208-F210 HydrophobicContact CG-CZ 4.3Å; R208-T225 CarbonylContact O-C 3.54Å; R208-T225 WeakPolarHBondContact O-CA 3.19Å; R208-Q226 HydrophobicContact CB-CB 4.36Å; R208-Q226 VanDerWaalsContact CD-OE1 3.31Å; R208-Q226 PolarHBondContact N-O 2.93Å; R208-Q226 PolarHBondContact O-N 2.71Å
209I98.4Very high91.3Very high32 Ų3253.9 Ų53.916%0.16429%0.293CS..EExtended strand (participates in β ladder)trans-111124.8172.2-54.9-177000107.9L197 E198 N223L197-I209 WeakPolarHBondContact CB-O 3.45Å; L197-I209 HydrophobicContact CD1-CG2 4.29Å; L197-I209 PolarHBondContact N-O 2.86Å; E198-I209 HydrophobicContact CB-CB 4.12Å; E198-I209 HydrophobicContact CB-CD1 4.34Å; E198-I209 HydrophobicContact CB-CG1 4.29Å; E198-I209 PolarHBondContact N-O 2.88Å; E198-I209 PolarHBondContact O-N 2.9Å; E198-I209 WeakPolarHBondContact OE2-CD1 3.49Å; I209-N223 HydrophobicContact CG2-CB 4.44Å
210F98.6Very high90.7Very high0 Ų056.2 Ų56.20%030%0.3CS..EExtended strand (participates in β ladder)trans-112146.2176.5-54.5-75.5000110.2W146 W175 P176 V194 T195 L196 R208 I212 N223 V224 Q226W146-F210 AromaticContact CH2-CD2 3.99Å; W146-F210 HydrophobicContact CH2-CD2 3.99Å; W146-F210 HydrophobicContact CH2-CE2 4.31Å; W146-F210 HydrophobicContact CH2-CG 4.22Å; W175-F210 HydrophobicContact CB-CE1 3.69Å; W175-F210 HydrophobicContact CB-CZ 3.55Å; W175-F210 HydrophobicContact CG-CE1 4.32Å; W175-F210 AromaticContact CG-CZ 3.97Å; W175-F210 HydrophobicContact CG-CZ 3.97Å; P176-F210 HydrophobicContact CG-CD1 4.36Å; P176-F210 HydrophobicContact CG-CE1 4.33Å; V194-F210 HydrophobicContact CG1-CB 4.19Å; V194-F210 HydrophobicContact CG1-CD1 3.97Å; V194-F210 HydrophobicContact CG1-CG 4.24Å; T195-F210 CarbonylContact O-C 3.56Å; T195-F210 WeakPolarHBondContact O-CA 3.47Å; L196-F210 HydrophobicContact CB-CD1 4.18Å; L196-F210 HydrophobicContact CB-CE1 4.12Å; L196-F210 HydrophobicContact CD1-CD1 3.89Å; L196-F210 HydrophobicContact CD1-CE1 3.45Å; L196-F210 VanDerWaalsContact CD1-CE1 3.45Å; L196-F210 HydrophobicContact CD1-CZ 4.1Å; L196-F210 HydrophobicContact CG-CE1 4.37Å; R208-F210 HydrophobicContact CB-CE1 4.29Å; R208-F210 HydrophobicContact CB-CE2 3.71Å; R208-F210 HydrophobicContact CB-CZ 3.57Å; R208-F210 HydrophobicContact CG-CZ 4.3Å; F210-I212 HydrophobicContact CB-CG2 4.39Å; F210-N223 CarbonylContact O-C 3.59Å; F210-N223 WeakPolarHBondContact O-CA 3.38Å; F210-V224 HydrophobicContact CB-CB 4.48Å; F210-V224 PolarHBondContact N-O 2.9Å; F210-V224 PolarHBondContact O-N 3.02Å; F210-Q226 HydrophobicContact CD2-CB 4.34Å; F210-Q226 HydrophobicContact CE2-CB 3.61Å; F210-Q226 HydrophobicContact CE2-CG 4.49Å
211N97.8Very high90.4Very high40 Ų4055.6 Ų55.621%0.21430%0.301CS..EExtended strand (participates in β ladder)trans-99.2133.3156.2-177-101000108.4T195 L197 S221 N223T195-N211 PolarHBondContact N-O 2.84Å; T195-N211 PolarHBondContact O-N 2.82Å; L197-N211 HydrophobicContact CD1-CB 4.03Å; L197-N211 HydrophobicContact CD2-CB 4.17Å; L197-N211 HydrophobicContact CG-CB 4.22Å; N211-S221 PolarHBondContact ND2-OG 3.12Å; N211-N223 PolarHBondContact ND2-OD1 3.22Å
212I97.1Very high90.4Very high0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-122.5141.4175.569.8171.2000111.4W146 V149 Y150 I192 S193 V194 F210 S221 H222 V224W146-I212 HydrophobicContact CE3-CG2 3.99Å; W146-I212 HydrophobicContact CZ3-CG2 3.78Å; V149-I212 HydrophobicContact CB-CD1 4.48Å; V149-I212 HydrophobicContact CG1-CD1 3.75Å; Y150-I212 HydrophobicContact CD2-CD1 4.17Å; Y150-I212 HydrophobicContact CD2-CG1 4.23Å; I192-I212 HydrophobicContact CG2-CB 4.26Å; S193-I212 VanDerWaalsContact O-CA 3.31Å; S193-I212 WeakPolarHBondContact O-CA 3.45Å; V194-I212 HydrophobicContact CB-CG2 4.32Å; V194-I212 HydrophobicContact CG1-CG2 4.05Å; V194-I212 HydrophobicContact CG2-CG2 3.95Å; F210-I212 HydrophobicContact CB-CG2 4.39Å; I212-S221 WeakPolarHBondContact O-CA 3.14Å; I212-S221 WeakPolarHBondContact O-CB 3.31Å; I212-H222 VanDerWaalsContact CD1-CE1 3.48Å; I212-H222 WeakPolarHBondContact CD1-CE1 3.39Å; I212-H222 PolarHBondContact N-O 3.23Å; I212-H222 PolarHBondContact O-N 2.82Å; I212-H222 VanDerWaalsContact O-N 3.13Å; I212-V224 HydrophobicContact CD1-CG2 3.7Å; I212-V224 HydrophobicContact CG1-CG2 3.9Å; I212-V224 HydrophobicContact CG2-CG2 4.22Å
213S95Very high90.6Very high12 Ų1252.2 Ų52.28%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-149.5162.2176.374.90000111.2S193S193-S213 PolarHBondContact N-O 2.92Å; S193-S213 PolarHBondContact O-N 3.37Å
214M91Very high91Very high28 Ų2848 Ų4814%0.13826%0.261CS..EExtended strand (participates in β ladder)trans-64.6135.2163.5-74.7-70-76.400109.6T86 Y150 F190 I192 N216 N217T86-M214 HydrophobicContact CG2-CE 3.77Å; Y150-M214 HydrophobicContact CD1-CG 4.36Å; Y150-M214 HydrophobicContact CD1-SD 4.3Å; Y150-M214 HydrophobicContact CE1-CG 3.56Å; Y150-M214 HydrophobicContact CE1-SD 3.97Å; Y150-M214 HydrophobicContact CE2-CG 4.15Å; Y150-M214 VanDerWaalsContact CZ-CG 3.44Å; Y150-M214 WeakPolarHBondContact OH-CG 3.31Å; F190-M214 HydrophobicContact CD1-CE 3.43Å; F190-M214 VanDerWaalsContact CD1-CE 3.43Å; F190-M214 HydrophobicContact CD1-SD 3.27Å; F190-M214 WeakPolarHBondContact CD1-SD 3.36Å; F190-M214 HydrophobicContact CE1-CE 3.42Å; F190-M214 VanDerWaalsContact CE1-CE 3.42Å; F190-M214 HydrophobicContact CE1-SD 3.36Å; F190-M214 WeakPolarHBondContact CE1-SD 3.4Å; F190-M214 HydrophobicContact CG-CE 4.36Å; F190-M214 HydrophobicContact CZ-CE 4.37Å; I192-M214 HydrophobicContact CD1-SD 3.59Å; I192-M214 VanDerWaalsContact CD1-SD 3.59Å; M214-N216 PolarHBondContact O-N 3.19Å; M214-N217 HydrophobicContact CB-CB 4.18Å; M214-N217 CarbonylContact O-C 3.27Å; M214-N217 VanDerWaalsContact O-C 3.27Å; M214-N217 PolarHBondContact O-N 3.44Å
215S81.1Confident91.2Very high36 Ų3648.9 Ų48.925%0.25227%0.266SS..THydrogen-bonded Turntrans-59.5-33.9-178.4620000112.8E191E191-S215 WeakPolarHBondContact CB-OG 3.19Å; E191-S215 PolarHBondContact O-N 2.98Å; E191-S215 PolarHBondContact O-OG 3.29Å; E191-S215 VanDerWaalsContact OE1-CB 3.22Å; E191-S215 WeakPolarHBondContact OE1-CB 3.26Å; E191-S215 PolarHBondContact OE1-OG 3.3Å
216N79.1Confident91.4Very high157 Ų15748 Ų4884%0.8426%0.263SS*.THydrogen-bonded Turntrans-91.9-0.7179.1-63.2-19.6000114.1M214M214-N216 PolarHBondContact O-N 3.19Å
217N76.6Confident91.5Very high67 Ų6746.7 Ų46.736%0.35826%0.256SS..EExtended strand (participates in β ladder)trans-151.491.6179.8-1744.4000111M214 N219M214-N217 HydrophobicContact CB-CB 4.18Å; M214-N217 CarbonylContact O-C 3.27Å; M214-N217 VanDerWaalsContact O-C 3.27Å; M214-N217 PolarHBondContact O-N 3.44Å; N217-N219 PolarHBondContact O-N 2.9Å; N217-N219 VanDerWaalsContact OD1-CB 3.31Å; N217-N219 WeakPolarHBondContact OD1-CB 3.16Å; N217-N219 PolarHBondContact OD1-N 2.97Å; N217-N219 VanDerWaalsContact OD1-N 3.1Å
218S74.5Confident91.5Very high85 Ų8545.9 Ų45.959%0.59425%0.253SS*.EExtended strand (participates in β ladder)trans-74.1-9.5176.557.90000113.9E220S218-E220 VanDerWaalsContact C-N 3.27Å; S218-E220 PolarHBondContact O-N 2.77Å
219N75.9Confident91.4Very high146 Ų14644.7 Ų44.778%0.78125%0.248SC*.EExtended strand (participates in β ladder)trans-72.4-23.9-176.9-64.4-22.7000112.2N217N217-N219 PolarHBondContact O-N 2.9Å; N217-N219 VanDerWaalsContact OD1-CB 3.31Å; N217-N219 WeakPolarHBondContact OD1-CB 3.16Å; N217-N219 PolarHBondContact OD1-N 2.97Å; N217-N219 VanDerWaalsContact OD1-N 3.1Å
220E84.8Confident91.1Very high113 Ų11346 Ų4653%0.52826%0.257SS..EExtended strand (participates in β ladder)trans-105.594.1170.2-67.7-169-169.800109Y150 S218Y150-E220 PolarHBondContact OH-O 3.16Å; S218-E220 VanDerWaalsContact C-N 3.27Å; S218-E220 PolarHBondContact O-N 2.77Å
221S91.6Very high90.7Very high59 Ų5949.8 Ų49.841%0.41328%0.275SS..EExtended strand (participates in β ladder)trans-127.9155171.869.50000110.9N211 I212N211-S221 PolarHBondContact ND2-OG 3.12Å; I212-S221 WeakPolarHBondContact O-CA 3.14Å; I212-S221 WeakPolarHBondContact O-CB 3.31Å
222H93Very high90.2Very high41 Ų4148.3 Ų48.319%0.1927%0.267CS..EExtended strand (participates in β ladder)trans-145.5159.5168.570.2-87.7000111.1C154 I212C154-H222 PolarHBondContact O-NE2 3.43Å; I212-H222 VanDerWaalsContact CD1-CE1 3.48Å; I212-H222 WeakPolarHBondContact CD1-CE1 3.39Å; I212-H222 PolarHBondContact N-O 3.23Å; I212-H222 PolarHBondContact O-N 2.82Å; I212-H222 VanDerWaalsContact O-N 3.13Å
223N96.2Very high89.4Confident89 Ų8955.4 Ų55.448%0.47630%0.3SS..EExtended strand (participates in β ladder)trans-86.5139.5177.9-69.7-6.5000110.8I209 F210 N211I209-N223 HydrophobicContact CG2-CB 4.44Å; F210-N223 CarbonylContact O-C 3.59Å; F210-N223 WeakPolarHBondContact O-CA 3.38Å; N211-N223 PolarHBondContact ND2-OD1 3.22Å
224V98.2Very high88.5Confident0 Ų056 Ų560%030%0.302CS..EExtended strand (participates in β ladder)trans-122.5125.2176.1-174.10000108.8V149 C154 P155 I157 F210 I212V149-V224 HydrophobicContact CG1-CG1 4.12Å; V149-V224 HydrophobicContact CG1-CG2 3.89Å; C154-V224 WeakPolarHBondContact O-CG2 3.42Å; P155-V224 WeakPolarHBondContact O-CA 3.32Å; I157-V224 HydrophobicContact CD1-CG1 3.72Å; I157-V224 HydrophobicContact CG1-CG1 3.81Å; F210-V224 HydrophobicContact CB-CB 4.48Å; F210-V224 PolarHBondContact N-O 2.9Å; F210-V224 PolarHBondContact O-N 3.02Å; I212-V224 HydrophobicContact CD1-CG2 3.7Å; I212-V224 HydrophobicContact CG1-CG2 3.9Å; I212-V224 HydrophobicContact CG2-CG2 4.22Å
225T98.3Very high87.6Confident17 Ų1760.1 Ų60.110%0.10432%0.319CS..EExtended strand (participates in β ladder)trans-99.8116.3175.7-61.70000109.9P155 F156 I157 K207 R208P155-T225 PolarHBondContact O-N 3.34Å; F156-T225 CarbonylContact C-O 3.5Å; F156-T225 VanDerWaalsContact CA-O 3.29Å; F156-T225 WeakPolarHBondContact CA-O 3.44Å; F156-T225 HydrophobicContact CD1-CG2 4.39Å; I157-T225 PolarHBondContact N-O 3.46Å; K207-T225 HydrophobicContact CD-CG2 4.34Å; K207-T225 HydrophobicContact CG-CG2 3.89Å; R208-T225 CarbonylContact O-C 3.54Å; R208-T225 WeakPolarHBondContact O-CA 3.19Å
226Q98.7Very high87.9Confident0 Ų060.1 Ų60.10%032%0.319CS..EExtended strand (participates in β ladder)trans-93.3127.3170.9-178.2-15749.900110.3I157 Y174 K207 R208 F210I157-Q226 HydrophobicContact CB-CB 4.15Å; I157-Q226 HydrophobicContact CB-CG 4.13Å; I157-Q226 HydrophobicContact CG2-CG 4.12Å; I157-Q226 CarbonylContact O-C 3.57Å; I157-Q226 WeakPolarHBondContact O-CA 3.08Å; Y174-Q226 PolarHBondContact OH-NE2 3Å; K207-Q226 CarbonylContact C-O 3.57Å; K207-Q226 VanDerWaalsContact CA-O 3.29Å; K207-Q226 WeakPolarHBondContact CA-O 3.41Å; R208-Q226 HydrophobicContact CB-CB 4.36Å; R208-Q226 VanDerWaalsContact CD-OE1 3.31Å; R208-Q226 PolarHBondContact N-O 2.93Å; R208-Q226 PolarHBondContact O-N 2.71Å; F210-Q226 HydrophobicContact CD2-CB 4.34Å; F210-Q226 HydrophobicContact CE2-CB 3.61Å; F210-Q226 HydrophobicContact CE2-CG 4.49Å
227M98.3Very high88.5Confident0 Ų055.1 Ų55.10%030%0.295CS..EExtended strand (participates in β ladder)trans-106.299.8169.3-70.8170.8-92.800108.1F156 I157 V158 M159 L246 E249 Y250F156-M227 HydrophobicContact CB-CE 4.36Å; F156-M227 HydrophobicContact CD1-CE 3.82Å; F156-M227 HydrophobicContact CG-CE 4.25Å; I157-M227 PolarHBondContact O-N 3.43Å; V158-M227 HydrophobicContact CG2-CE 4.36Å; M159-M227 PolarHBondContact N-O 2.67Å; M227-L246 HydrophobicContact CB-CD1 4.25Å; M227-E249 HydrophobicContact SD-CG 4.04Å; M227-Y250 HydrophobicContact CE-CD2 3.76Å
228H98Very high89.3Confident16 Ų1652.3 Ų52.37%0.07428%0.28CS..EExtended strand (participates in β ladder)trans-93.5101179.1174.3-154.1000110.1M159 T161 F205 I206 T230M159-H228 HydrophobicContact CB-CB 4.22Å; M159-H228 HydrophobicContact CG-CB 4.44Å; M159-H228 CarbonylContact O-C 3.46Å; M159-H228 WeakPolarHBondContact O-CA 3.13Å; M159-H228 HydrophobicContact SD-CB 4.38Å; T161-H228 PolarHBondContact O-CD2 3Å; T161-H228 PolarHBondContact O-NE2 3.04Å; F205-H228 CarbonylContact C-O 3.58Å; F205-H228 WeakPolarHBondContact CA-O 3.38Å; F205-H228 VanDerWaalsContact CB-O 3.28Å; F205-H228 WeakPolarHBondContact CB-O 3.44Å; I206-H228 HydrophobicContact CB-CB 4.36Å; I206-H228 PolarHBondContact N-O 2.71Å; I206-H228 WeakPolarHBondContact O-CB 3.4Å; I206-H228 PolarHBondContact O-N 2.84Å; H228-T230 PolarHBondContact O-N 3.34Å
229F96.8Very high90.3Very high1 Ų151.6 Ų51.60%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-76.9118.6179.1-169.3-119.4000111M159 L160 C204 F205 E231 W232 P238 L246M159-F229 PolarHBondContact O-N 2.94Å; L160-F229 HydrophobicContact CD2-CB 4.07Å; L160-F229 HydrophobicContact CD2-CD1 4.37Å; C204-F229 HydrophobicContact CB-CE2 4.08Å; C204-F229 WeakPolarHBondContact O-CD2 3.36Å; F205-F229 HydrophobicContact CB-CD2 4.37Å; F229-E231 HydrophobicContact CZ-CB 4.28Å; F229-W232 HydrophobicContact CD1-CB 3.79Å; F229-W232 AromaticContact CD1-CE3 3.87Å; F229-W232 HydrophobicContact CD1-CE3 3.87Å; F229-W232 HydrophobicContact CE1-CB 3.78Å; F229-W232 HydrophobicContact CE1-CD2 4.37Å; F229-W232 AromaticContact CE1-CE3 3.81Å; F229-W232 HydrophobicContact CE1-CE3 3.81Å; F229-W232 HydrophobicContact CE1-CG 4.42Å; F229-P238 HydrophobicContact CE1-CB 3.78Å; F229-P238 HydrophobicContact CE1-CG 4.37Å; F229-P238 HydrophobicContact CZ-CB 4.01Å; F229-L246 HydrophobicContact CB-CD1 4.36Å; F229-L246 HydrophobicContact CB-CD2 3.92Å; F229-L246 HydrophobicContact CD1-CD2 4.24Å; F229-L246 HydrophobicContact CD2-CB 3.99Å; F229-L246 HydrophobicContact CD2-CD1 4.2Å; F229-L246 HydrophobicContact CD2-CD2 3.82Å; F229-L246 HydrophobicContact CD2-CG 4.21Å; F229-L246 HydrophobicContact CE2-CB 4.04Å; F229-L246 HydrophobicContact CE2-CD2 4.35Å; F229-L246 HydrophobicContact CG-CD2 3.75Å
230T92.9Very high91.1Very high58 Ų5846.8 Ų46.836%0.35625%0.246SC..  trans-97.5-18.2-170.755.70000113.5C204 I206 H228 W232C204-T230 PolarHBondContact O-N 3.14Å; C204-T230 PolarHBondContact O-OG1 3.13Å; I206-T230 HydrophobicContact CD1-CG2 4.07Å; I206-T230 HydrophobicContact CG1-CG2 4.14Å; H228-T230 PolarHBondContact O-N 3.34Å; T230-W232 VanDerWaalsContact C-N 3.34Å; T230-W232 PolarHBondContact O-N 3.46Å
231E89.1Confident91.6Very high81 Ų8145 Ų4538%0.37924%0.243SC..SBendtrans-96.235.6-171-53.8-54.112200113.5C204 F229 Y242C204-E231 HydrophobicContact CB-CB 4.35Å; C204-E231 HydrophobicContact CB-CG 3.56Å; F229-E231 HydrophobicContact CZ-CB 4.28Å; E231-Y242 HydrophobicContact CB-CD2 3.59Å; E231-Y242 HydrophobicContact CB-CE2 4Å; E231-Y242 HydrophobicContact CB-CG 4.28Å; E231-Y242 HydrophobicContact CG-CD2 3.88Å; E231-Y242 HydrophobicContact CG-CE2 3.91Å; E231-Y242 HydrophobicContact CG-CG 4.42Å
232W88Confident91.8Very high8 Ų845.4 Ų45.43%0.0324%0.236CC..  trans-133.4101.3177.2-157.6-20.5000110.3L160 F229 T230 S236 P238 M243 R280 T283L160-W232 HydrophobicContact CD2-CE3 4.33Å; L160-W232 HydrophobicContact CD2-CZ3 4.32Å; F229-W232 HydrophobicContact CD1-CB 3.79Å; F229-W232 AromaticContact CD1-CE3 3.87Å; F229-W232 HydrophobicContact CD1-CE3 3.87Å; F229-W232 HydrophobicContact CE1-CB 3.78Å; F229-W232 HydrophobicContact CE1-CD2 4.37Å; F229-W232 AromaticContact CE1-CE3 3.81Å; F229-W232 HydrophobicContact CE1-CE3 3.81Å; F229-W232 HydrophobicContact CE1-CG 4.42Å; T230-W232 VanDerWaalsContact C-N 3.34Å; T230-W232 PolarHBondContact O-N 3.46Å; W232-S236 PolarHBondContact NE1-O 3.46Å; W232-P238 HydrophobicContact CD2-CB 4.23Å; W232-P238 HydrophobicContact CD2-CG 3.94Å; W232-P238 VanDerWaalsContact CE2-CD 3.47Å; W232-P238 HydrophobicContact CE3-CB 4.43Å; W232-P238 HydrophobicContact CE3-CG 3.96Å; W232-P238 HydrophobicContact CG-CB 4.32Å; W232-P238 HydrophobicContact CH2-CG 4.23Å; W232-P238 HydrophobicContact CZ2-CG 4.25Å; W232-P238 HydrophobicContact CZ3-CG 4.12Å; W232-M243 HydrophobicContact CE3-CE 4.42Å; W232-M243 HydrophobicContact CH2-CE 3.5Å; W232-M243 HydrophobicContact CZ3-CE 3.39Å; W232-R280 HydrophobicContact CD2-CB 4.17Å; W232-R280 HydrophobicContact CD2-CG 3.98Å; W232-R280 HydrophobicContact CE3-CB 4.16Å; W232-R280 HydrophobicContact CE3-CG 4.48Å; W232-R280 HydrophobicContact CG-CG 4.44Å; W232-R280 HydrophobicContact CH2-CB 3.86Å; W232-R280 HydrophobicContact CH2-CG 4.38Å; W232-R280 HydrophobicContact CZ2-CB 3.83Å; W232-R280 HydrophobicContact CZ2-CG 3.83Å; W232-R280 HydrophobicContact CZ3-CB 4Å; W232-R280 PolarHBondContact O-NH1 3.38Å; W232-T283 HydrophobicContact CH2-CG2 3.63Å; W232-T283 HydrophobicContact CZ2-CG2 4.08Å
233E80.6Confident91.9Very high149 Ų14943.5 Ų43.570%0.69623%0.227SC*.  trans-68.9162.6174.1-64.6-171.2158.100112S236E233-S236 WeakPolarHBondContact CB-OG 3.46Å; E233-S236 PolarHBondContact N-OG 3.32Å; E233-S236 PolarHBondContact O-OG 3.33Å; E233-S236 VanDerWaalsContact O-OG 3.08Å
234N75.2Confident91.9Very high26 Ų2639.5 Ų39.514%0.13921%0.206CC..THydrogen-bonded Turntrans-71.7138.2177.5-149.821000111.7Y165 S236 R280Y165-N234 HydrophobicContact CD1-CB 3.92Å; Y165-N234 HydrophobicContact CD2-CB 3.49Å; Y165-N234 VanDerWaalsContact CD2-CB 3.49Å; Y165-N234 HydrophobicContact CE1-CB 4Å; Y165-N234 HydrophobicContact CE2-CB 3.59Å; Y165-N234 HydrophobicContact CG-CB 3.66Å; N234-S236 PolarHBondContact O-N 2.79Å; N234-R280 PolarHBondContact OD1-NH2 3.12Å
235F72.2Confident91.8Very high113 Ų11343.2 Ų43.250%0.49622%0.222SC..THydrogen-bonded Turntrans60.819.1-176.8-45.3-75.8000115.4Y165 L320Y165-F235 HydrophobicContact CD1-CE2 4.41Å; Y165-F235 AromaticContact CE1-CD2 4Å; Y165-F235 HydrophobicContact CE1-CD2 4Å; Y165-F235 AromaticContact CE1-CE2 3.85Å; Y165-F235 HydrophobicContact CE1-CE2 3.85Å; F235-L320 HydrophobicContact CB-CD1 4.07Å; F235-L320 HydrophobicContact CD1-CD1 4.24Å
236S87.9Confident91.7Very high36 Ų3642.4 Ų42.425%0.25222%0.217SC..SBendtrans-114-170.7172.776.50000111.9W232 E233 N234W232-S236 PolarHBondContact NE1-O 3.46Å; E233-S236 WeakPolarHBondContact CB-OG 3.46Å; E233-S236 PolarHBondContact N-OG 3.32Å; E233-S236 PolarHBondContact O-OG 3.33Å; E233-S236 VanDerWaalsContact O-OG 3.08Å; N234-S236 PolarHBondContact O-N 2.79Å
237V91.6Very high91.6Very high52 Ų5242.4 Ų42.432%0.31522%0.217SC..  trans-125.3149.6171.4-63.30000109.2E322 Q323 F326V237-E322 HydrophobicContact CG1-CB 4.08Å; V237-E322 WeakPolarHBondContact CG1-O 3.47Å; V237-Q323 HydrophobicContact CG1-CG 4.23Å; V237-F326 HydrophobicContact CB-CB 3.97Å; V237-F326 HydrophobicContact CB-CD2 3.96Å; V237-F326 HydrophobicContact CB-CG 3.97Å; V237-F326 HydrophobicContact CG1-CB 3.75Å; V237-F326 HydrophobicContact CG1-CG 4.21Å; V237-F326 HydrophobicContact CG2-CB 4.4Å; V237-F326 HydrophobicContact CG2-CD2 4.21Å
238P94.1Very high91.4Very high8 Ų845.7 Ų45.75%0.05223%0.231CC..  trans-79171.9179.135.1-30.5000109.8F229 W232 M243 F326F229-P238 HydrophobicContact CE1-CB 3.78Å; F229-P238 HydrophobicContact CE1-CG 4.37Å; F229-P238 HydrophobicContact CZ-CB 4.01Å; W232-P238 HydrophobicContact CD2-CB 4.23Å; W232-P238 HydrophobicContact CD2-CG 3.94Å; W232-P238 VanDerWaalsContact CE2-CD 3.47Å; W232-P238 HydrophobicContact CE3-CB 4.43Å; W232-P238 HydrophobicContact CE3-CG 3.96Å; W232-P238 HydrophobicContact CG-CB 4.32Å; W232-P238 HydrophobicContact CH2-CG 4.23Å; W232-P238 HydrophobicContact CZ2-CG 4.25Å; W232-P238 HydrophobicContact CZ3-CG 4.12Å; P238-M243 HydrophobicContact CG-CB 4.17Å; P238-M243 HydrophobicContact CG-CE 4Å; P238-F326 HydrophobicContact CG-CE1 4.12Å; P238-F326 HydrophobicContact CG-CE2 4.13Å; P238-F326 HydrophobicContact CG-CZ 3.71Å; P238-F326 WeakPolarHBondContact O-CE2 3.38Å
239T94.3Very high91.3Very high71 Ų7147 Ų4744%0.43624%0.237SC..  trans-68.5147.7165.873.10000109.9T241 Y242 M243T239-T241 PolarHBondContact O-N 2.89Å; T239-Y242 HydrophobicContact CG2-CD2 4.14Å; T239-Y242 HydrophobicContact CG2-CE2 4.42Å; T239-Y242 PolarHBondContact O-N 2.94Å; T239-Y242 WeakPolarHBondContact OG1-CB 3.21Å; T239-Y242 WeakPolarHBondContact OG1-CD2 3.32Å; T239-Y242 VanDerWaalsContact OG1-CG 3.24Å; T239-Y242 PolarHBondContact OG1-N 3.46Å; T239-Y242 VanDerWaalsContact OG1-N 3.13Å; T239-M243 PolarHBondContact O-N 2.69Å
240I94Very high91.4Very high45 Ų4547.5 Ų47.523%0.23124%0.239CC..Hα-helixtrans-55.4-41175.3-67.5174.6000110.7M243 D244 F326 E329 Y330 Y333I240-M243 PolarHBondContact O-N 2.95Å; I240-D244 WeakPolarHBondContact O-CB 3.42Å; I240-D244 PolarHBondContact O-N 3.47Å; I240-F326 HydrophobicContact CG1-CE2 3.95Å; I240-E329 HydrophobicContact CD1-CB 4.01Å; I240-Y330 HydrophobicContact CG2-CD2 4.26Å; I240-Y333 HydrophobicContact CG2-CD1 3.44Å; I240-Y333 VanDerWaalsContact CG2-CD1 3.44Å; I240-Y333 HydrophobicContact CG2-CD2 3.64Å; I240-Y333 HydrophobicContact CG2-CE1 3.98Å; I240-Y333 HydrophobicContact CG2-CE2 4.14Å; I240-Y333 HydrophobicContact CG2-CG 3.24Å
241T94.8Very high91.5Very high75 Ų7545.9 Ų45.946%0.4623%0.228SC..Hα-helixtrans-62.3-44.6179.3-54.30000112.4T239 D244 K245T239-T241 PolarHBondContact O-N 2.89Å; T241-D244 PolarHBondContact O-N 3.26Å; T241-K245 WeakPolarHBondContact O-CG 3.41Å; T241-K245 PolarHBondContact O-N 2.95Å
242Y95.9Very high91.8Very high68 Ų6847.7 Ų47.727%0.26724%0.236SC..Hα-helixtrans-70.5-37.8178.5-66.3-32.6000112.3C204 E231 T239 K245 L246C204-Y242 HydrophobicContact CB-CD1 3.58Å; C204-Y242 HydrophobicContact CB-CD2 4.49Å; C204-Y242 HydrophobicContact CB-CE1 4.01Å; C204-Y242 HydrophobicContact CB-CG 3.86Å; E231-Y242 HydrophobicContact CB-CD2 3.59Å; E231-Y242 HydrophobicContact CB-CE2 4Å; E231-Y242 HydrophobicContact CB-CG 4.28Å; E231-Y242 HydrophobicContact CG-CD2 3.88Å; E231-Y242 HydrophobicContact CG-CE2 3.91Å; E231-Y242 HydrophobicContact CG-CG 4.42Å; T239-Y242 HydrophobicContact CG2-CD2 4.14Å; T239-Y242 HydrophobicContact CG2-CE2 4.42Å; T239-Y242 PolarHBondContact O-N 2.94Å; T239-Y242 WeakPolarHBondContact OG1-CB 3.21Å; T239-Y242 WeakPolarHBondContact OG1-CD2 3.32Å; T239-Y242 VanDerWaalsContact OG1-CG 3.24Å; T239-Y242 PolarHBondContact OG1-N 3.46Å; T239-Y242 VanDerWaalsContact OG1-N 3.13Å; Y242-K245 HydrophobicContact CD1-CD 4.34Å; Y242-K245 PolarHBondContact O-N 3.37Å; Y242-L246 PolarHBondContact O-N 3.15Å
243M95.8Very high92.1Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-61.1-46.6172.5-18062.893.300111.8W232 P238 T239 I240 K245 L246 V247 T283 F284 F326 Y330W232-M243 HydrophobicContact CE3-CE 4.42Å; W232-M243 HydrophobicContact CH2-CE 3.5Å; W232-M243 HydrophobicContact CZ3-CE 3.39Å; P238-M243 HydrophobicContact CG-CB 4.17Å; P238-M243 HydrophobicContact CG-CE 4Å; T239-M243 PolarHBondContact O-N 2.69Å; I240-M243 PolarHBondContact O-N 2.95Å; M243-K245 VanDerWaalsContact C-N 3.32Å; M243-K245 PolarHBondContact O-N 2.88Å; M243-L246 PolarHBondContact O-N 2.8Å; M243-V247 HydrophobicContact CG-CG2 4.4Å; M243-V247 WeakPolarHBondContact O-CB 3.36Å; M243-V247 WeakPolarHBondContact O-CG2 3.2Å; M243-V247 PolarHBondContact O-N 2.91Å; M243-V247 HydrophobicContact SD-CG2 4.13Å; M243-T283 HydrophobicContact CE-CG2 4.15Å; M243-F284 HydrophobicContact SD-CD2 4.08Å; M243-F326 HydrophobicContact CB-CE1 4.33Å; M243-F326 HydrophobicContact CB-CZ 3.73Å; M243-F326 HydrophobicContact CE-CE1 3.67Å; M243-F326 HydrophobicContact CE-CZ 4.25Å; M243-F326 HydrophobicContact CG-CE1 4.06Å; M243-F326 HydrophobicContact CG-CZ 3.94Å; M243-Y330 HydrophobicContact CB-CD2 4.24Å; M243-Y330 HydrophobicContact CB-CE2 4.19Å; M243-Y330 HydrophobicContact CG-CD2 3.83Å; M243-Y330 HydrophobicContact CG-CE2 3.69Å; M243-Y330 HydrophobicContact CG-CG 4.5Å
244D95.5Very high92.8Very high6 Ų644.1 Ų44.13%0.03222%0.219CC..Hα-helixtrans-63.5-37.1178.7-177.257.3000112I240 T241 K248 R291 Y330 Y333I240-D244 WeakPolarHBondContact O-CB 3.42Å; I240-D244 PolarHBondContact O-N 3.47Å; T241-D244 PolarHBondContact O-N 3.26Å; D244-K248 VanDerWaalsContact O-CB 3.3Å; D244-K248 WeakPolarHBondContact O-CB 3.29Å; D244-K248 VanDerWaalsContact O-CG 3.25Å; D244-K248 WeakPolarHBondContact O-CG 3.42Å; D244-K248 PolarHBondContact O-N 3.01Å; D244-K248 VanDerWaalsContact OD1-CE 3.26Å; D244-K248 WeakPolarHBondContact OD1-CE 3.38Å; D244-K248 IonicContact OD1-NZ 3.66Å; D244-K248 VanDerWaalsContact OD2-CE 3.25Å; D244-K248 WeakPolarHBondContact OD2-CE 3.18Å; D244-K248 IonicContact OD2-NZ 2.7Å; D244-K248 PolarHBondContact OD2-NZ 2.78Å; D244-R291 IonicContact OD1-CZ 3.86Å; D244-R291 IonicContact OD1-NH1 2.88Å; D244-R291 PolarHBondContact OD1-NH1 3.37Å; D244-R291 IonicContact OD1-NH2 3.48Å; D244-Y330 HydrophobicContact CB-CE2 4.03Å; D244-Y333 HydrophobicContact CB-CE1 3.7Å; D244-Y333 VanDerWaalsContact CG-CE1 3.48Å; D244-Y333 PolarHBondContact OD2-OH 2.98Å
245K95.6Very high93.6Very high78 Ų7848.6 Ų48.634%0.33924%0.239SC..Hα-helixtrans-60.9-50172.1-78.4177.7176.9176.60111.9D203 T241 Y242 M243 V247 K248 E249D203-K245 IonicContact OD1-NZ 3.03Å; D203-K245 IonicContact OD2-NZ 3.32Å; D203-K245 PolarHBondContact OD2-NZ 2.85Å; T241-K245 WeakPolarHBondContact O-CG 3.41Å; T241-K245 PolarHBondContact O-N 2.95Å; Y242-K245 HydrophobicContact CD1-CD 4.34Å; Y242-K245 PolarHBondContact O-N 3.37Å; M243-K245 VanDerWaalsContact C-N 3.32Å; M243-K245 PolarHBondContact O-N 2.88Å; K245-V247 PolarHBondContact O-N 3.4Å; K245-K248 PolarHBondContact O-N 3.27Å; K245-E249 WeakPolarHBondContact O-CB 3.33Å; K245-E249 PolarHBondContact O-N 2.93Å
246L96.2Very high94.7Very high0 Ų046.1 Ų46.10%024%0.235CC..Hα-helixtrans-60.4-46.2178.1177.467.8000111.6V158 L160 F205 M227 F229 Y242 M243 E249 Y250 F284V158-L246 HydrophobicContact CG1-CD2 4.4Å; L160-L246 HydrophobicContact CD2-CD2 3.68Å; F205-L246 HydrophobicContact CD1-CD1 4.43Å; M227-L246 HydrophobicContact CB-CD1 4.25Å; F229-L246 HydrophobicContact CB-CD1 4.36Å; F229-L246 HydrophobicContact CB-CD2 3.92Å; F229-L246 HydrophobicContact CD1-CD2 4.24Å; F229-L246 HydrophobicContact CD2-CB 3.99Å; F229-L246 HydrophobicContact CD2-CD1 4.2Å; F229-L246 HydrophobicContact CD2-CD2 3.82Å; F229-L246 HydrophobicContact CD2-CG 4.21Å; F229-L246 HydrophobicContact CE2-CB 4.04Å; F229-L246 HydrophobicContact CE2-CD2 4.35Å; F229-L246 HydrophobicContact CG-CD2 3.75Å; Y242-L246 PolarHBondContact O-N 3.15Å; M243-L246 PolarHBondContact O-N 2.8Å; L246-E249 PolarHBondContact O-N 3.37Å; L246-Y250 WeakPolarHBondContact O-CB 3.49Å; L246-Y250 PolarHBondContact O-N 3.49Å; L246-F284 HydrophobicContact CD2-CD2 3.78Å; L246-F284 HydrophobicContact CD2-CE2 3.65Å; L246-F284 HydrophobicContact CG-CD2 4.44Å; L246-F284 HydrophobicContact CG-CE2 3.84Å
247V96.3Very high94.9Very high0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-61.6-46179.1163.70000111M243 K245 Y250 E251 F284 L288 Y330M243-V247 HydrophobicContact CG-CG2 4.4Å; M243-V247 WeakPolarHBondContact O-CB 3.36Å; M243-V247 WeakPolarHBondContact O-CG2 3.2Å; M243-V247 PolarHBondContact O-N 2.91Å; M243-V247 HydrophobicContact SD-CG2 4.13Å; K245-V247 PolarHBondContact O-N 3.4Å; V247-Y250 PolarHBondContact O-N 3.2Å; V247-E251 HydrophobicContact CG1-CG 4.47Å; V247-E251 WeakPolarHBondContact O-CG 3.3Å; V247-E251 PolarHBondContact O-N 2.86Å; V247-F284 HydrophobicContact CG2-CD2 4.32Å; V247-F284 HydrophobicContact CG2-CE2 3.95Å; V247-L288 HydrophobicContact CB-CD2 4.31Å; V247-L288 HydrophobicContact CG1-CD2 3.76Å; V247-L288 HydrophobicContact CG2-CD2 4.09Å; V247-Y330 WeakPolarHBondContact CG1-OH 3.48Å
248K95.2Very high94.9Very high69 Ų6947.6 Ų47.630%0.324%0.241SC..Hα-helixtrans-64.5-41.9177.5-76.4170.5173.9167.20112.3D244 K245 E251 Q252 R291D244-K248 VanDerWaalsContact O-CB 3.3Å; D244-K248 WeakPolarHBondContact O-CB 3.29Å; D244-K248 VanDerWaalsContact O-CG 3.25Å; D244-K248 WeakPolarHBondContact O-CG 3.42Å; D244-K248 PolarHBondContact O-N 3.01Å; D244-K248 VanDerWaalsContact OD1-CE 3.26Å; D244-K248 WeakPolarHBondContact OD1-CE 3.38Å; D244-K248 IonicContact OD1-NZ 3.66Å; D244-K248 VanDerWaalsContact OD2-CE 3.25Å; D244-K248 WeakPolarHBondContact OD2-CE 3.18Å; D244-K248 IonicContact OD2-NZ 2.7Å; D244-K248 PolarHBondContact OD2-NZ 2.78Å; K245-K248 PolarHBondContact O-N 3.27Å; K248-E251 PolarHBondContact O-N 3.4Å; K248-Q252 WeakPolarHBondContact O-CB 3.19Å; K248-Q252 VanDerWaalsContact O-CG 3.22Å; K248-Q252 WeakPolarHBondContact O-CG 3.39Å; K248-Q252 PolarHBondContact O-N 3.13Å; K248-R291 VanDerWaalsContact CE-NH2 3.33Å
249E95.9Very high94.8Very high43 Ų4356.5 Ų56.520%0.20128%0.275CS..Hα-helixtrans-59.2-49.4174.6179.868.9-155.400110F205 K207 M227 K245 L246 E251 Q252 N253F205-E249 HydrophobicContact CE1-CB 4.25Å; F205-E249 HydrophobicContact CE1-CG 4.41Å; F205-E249 HydrophobicContact CE2-CG 3.85Å; F205-E249 HydrophobicContact CZ-CB 3.87Å; F205-E249 HydrophobicContact CZ-CG 3.62Å; K207-E249 IonicContact NZ-OE1 3.81Å; K207-E249 PolarHBondContact NZ-OE1 2.9Å; M227-E249 HydrophobicContact SD-CG 4.04Å; K245-E249 WeakPolarHBondContact O-CB 3.33Å; K245-E249 PolarHBondContact O-N 2.93Å; L246-E249 PolarHBondContact O-N 3.37Å; E249-E251 PolarHBondContact O-N 3.34Å; E249-Q252 PolarHBondContact O-N 2.81Å; E249-N253 PolarHBondContact O-N 2.75Å; E249-N253 PolarHBondContact O-ND2 2.94Å; E249-N253 PolarHBondContact OE1-ND2 2.84Å
250Y97.4Very high94.5Very high11 Ų1159.7 Ų59.74%0.04329%0.285CS..Hα-helixtrans-55.3-51.1176.3169.7-95.8000111.9F156 V158 M227 L246 V247 Q252 N253 Y254 T270 F284 L288F156-Y250 HydrophobicContact CD2-CE2 4.27Å; F156-Y250 HydrophobicContact CG-CE2 4.5Å; V158-Y250 HydrophobicContact CG2-CD2 4.17Å; M227-Y250 HydrophobicContact CE-CD2 3.76Å; L246-Y250 WeakPolarHBondContact O-CB 3.49Å; L246-Y250 PolarHBondContact O-N 3.49Å; V247-Y250 PolarHBondContact O-N 3.2Å; Y250-Q252 VanDerWaalsContact C-N 3.34Å; Y250-Q252 PolarHBondContact O-N 3.15Å; Y250-N253 PolarHBondContact O-N 2.93Å; Y250-Y254 WeakPolarHBondContact O-CB 3.47Å; Y250-Y254 PolarHBondContact O-N 2.91Å; Y250-T270 HydrophobicContact CE2-CG2 3.68Å; Y250-T270 WeakPolarHBondContact CE2-OG1 3.47Å; Y250-T270 PolarHBondContact OH-OG1 3.45Å; Y250-F284 HydrophobicContact CG-CZ 4.26Å; Y250-L288 HydrophobicContact CD1-CD1 3.78Å; Y250-L288 HydrophobicContact CD1-CD2 3.53Å; Y250-L288 HydrophobicContact CD1-CG 4.34Å; Y250-L288 HydrophobicContact CE1-CD1 3.62Å; Y250-L288 HydrophobicContact CE1-CD2 3.98Å; Y250-L288 HydrophobicContact CE1-CG 4.46Å; Y250-L288 HydrophobicContact CG-CD1 4.47Å; Y250-L288 HydrophobicContact CG-CD2 4.43Å
251E95.4Very high94Very high25 Ų2559.7 Ų59.712%0.11728%0.284CS..Hα-helixtrans-60.5-42.1-179.3-72.7178.3133.500112.1V247 K248 E249 Y254 Q255 R291 R295V247-E251 HydrophobicContact CG1-CG 4.47Å; V247-E251 WeakPolarHBondContact O-CG 3.3Å; V247-E251 PolarHBondContact O-N 2.86Å; K248-E251 PolarHBondContact O-N 3.4Å; E249-E251 PolarHBondContact O-N 3.34Å; E251-Y254 PolarHBondContact O-N 3.36Å; E251-Q255 VanDerWaalsContact O-CB 3.32Å; E251-Q255 WeakPolarHBondContact O-CB 3.46Å; E251-Q255 WeakPolarHBondContact O-CG 3.5Å; E251-Q255 PolarHBondContact O-N 3.01Å; E251-R291 VanDerWaalsContact OE1-CD 3.32Å; E251-R291 WeakPolarHBondContact OE1-CD 3.48Å; E251-R291 IonicContact OE1-NE 2.59Å; E251-R291 PolarHBondContact OE1-NE 3.21Å; E251-R291 IonicContact OE2-CZ 3.97Å; E251-R291 IonicContact OE2-NE 3.76Å; E251-R291 PolarHBondContact OE2-NE 3.03Å; E251-R295 IonicContact OE1-CZ 2.97Å; E251-R295 IonicContact OE1-NH1 3.57Å; E251-R295 PolarHBondContact OE1-NH1 3.3Å; E251-R295 IonicContact OE2-CZ 3.05Å; E251-R295 IonicContact OE2-NH1 2.69Å; E251-R295 PolarHBondContact OE2-NH1 3.33Å; E251-R295 IonicContact OE2-NH2 2.72Å
252Q95.1Very high93.4Very high119 Ų11960.2 Ų60.256%0.55629%0.289SS*.Hα-helixtrans-64.1-43.3177.9-74.1171-2.400111.8K248 E249 Y250 S256K248-Q252 WeakPolarHBondContact O-CB 3.19Å; K248-Q252 VanDerWaalsContact O-CG 3.22Å; K248-Q252 WeakPolarHBondContact O-CG 3.39Å; K248-Q252 PolarHBondContact O-N 3.13Å; E249-Q252 PolarHBondContact O-N 2.81Å; Y250-Q252 VanDerWaalsContact C-N 3.34Å; Y250-Q252 PolarHBondContact O-N 3.15Å; Q252-S256 WeakPolarHBondContact O-CB 3.49Å; Q252-S256 PolarHBondContact O-N 2.79Å
253N94.9Very high92.3Very high27 Ų2764.2 Ų64.214%0.14432%0.32CS..Hα-helixtrans-65.6-42.6176.4-77.1-87.1000111.5F156 K207 E249 Y250 S256 L257F156-N253 HydrophobicContact CE1-CB 3.76Å; F156-N253 HydrophobicContact CZ-CB 3.96Å; K207-N253 WeakPolarHBondContact CE-OD1 3Å; K207-N253 PolarHBondContact NZ-ND2 3.46Å; K207-N253 PolarHBondContact NZ-OD1 3.22Å; E249-N253 PolarHBondContact O-N 2.75Å; E249-N253 PolarHBondContact O-ND2 2.94Å; E249-N253 PolarHBondContact OE1-ND2 2.84Å; Y250-N253 PolarHBondContact O-N 2.93Å; N253-S256 PolarHBondContact O-N 3.44Å; N253-L257 PolarHBondContact O-N 3.43Å
254Y95Very high91.1Very high54 Ų5470.5 Ų70.521%0.21236%0.359CS..Hα-helixtrans-64.6-44.5177.8-167.2-85.2000111.6F156 Y250 E251 S256 L257 V258 I267F156-Y254 HydrophobicContact CD2-CD2 4.01Å; F156-Y254 AromaticContact CE2-CD2 3.7Å; F156-Y254 HydrophobicContact CE2-CD2 3.7Å; F156-Y254 HydrophobicContact CE2-CG 4.33Å; Y250-Y254 WeakPolarHBondContact O-CB 3.47Å; Y250-Y254 PolarHBondContact O-N 2.91Å; E251-Y254 PolarHBondContact O-N 3.36Å; Y254-S256 VanDerWaalsContact C-N 3.34Å; Y254-S256 PolarHBondContact O-N 2.9Å; Y254-L257 WeakPolarHBondContact O-CB 3.43Å; Y254-L257 PolarHBondContact O-N 3.38Å; Y254-V258 HydrophobicContact CD1-CG2 3.8Å; Y254-V258 HydrophobicContact CE1-CG2 3.51Å; Y254-V258 VanDerWaalsContact O-CG2 3.31Å; Y254-V258 WeakPolarHBondContact O-CG2 3.46Å; Y254-V258 PolarHBondContact O-N 2.78Å; Y254-I267 HydrophobicContact CE2-CG2 4.1Å
255Q93.4Very high90.3Very high121 Ų12172.4 Ų72.457%0.56538%0.375SS*.Hα-helixtrans-61.1-42.5175.2-76174-2.800112E251 V258 Y259E251-Q255 VanDerWaalsContact O-CB 3.32Å; E251-Q255 WeakPolarHBondContact O-CB 3.46Å; E251-Q255 WeakPolarHBondContact O-CG 3.5Å; E251-Q255 PolarHBondContact O-N 3.01Å; Q255-V258 PolarHBondContact O-N 3.21Å; Q255-Y259 WeakPolarHBondContact O-CB 3.1Å; Q255-Y259 PolarHBondContact O-N 3.03Å
256S94.2Very high89.6Confident60 Ų6072.2 Ų72.242%0.4238%0.384SS..Hα-helixtrans-61.2-44.1175.4-174.90000111.5Q252 N253 Y254 Y259 H260Q252-S256 WeakPolarHBondContact O-CB 3.49Å; Q252-S256 PolarHBondContact O-N 2.79Å; N253-S256 PolarHBondContact O-N 3.44Å; Y254-S256 VanDerWaalsContact C-N 3.34Å; Y254-S256 PolarHBondContact O-N 2.9Å; S256-Y259 PolarHBondContact O-N 2.89Å; S256-H260 PolarHBondContact O-N 3.08Å; S256-H260 VanDerWaalsContact O-N 3.14Å; S256-H260 PolarHBondContact O-ND1 3Å
257L93.1Very high89.3Confident47 Ų4773.6 Ų73.625%0.24639%0.391CS..Hα-helixtrans-58.6-51.7175.3177.967.5000111.2P155 F156 N253 Y254 Y259 H260 Q261 I267P155-L257 HydrophobicContact CB-CD2 3.51Å; P155-L257 HydrophobicContact CG-CD2 3.71Å; F156-L257 HydrophobicContact CE2-CB 4.39Å; F156-L257 HydrophobicContact CE2-CD2 3.67Å; F156-L257 HydrophobicContact CZ-CB 4.12Å; F156-L257 HydrophobicContact CZ-CD2 3.99Å; N253-L257 PolarHBondContact O-N 3.43Å; Y254-L257 WeakPolarHBondContact O-CB 3.43Å; Y254-L257 PolarHBondContact O-N 3.38Å; L257-Y259 VanDerWaalsContact C-N 3.27Å; L257-Y259 PolarHBondContact O-N 3.18Å; L257-H260 PolarHBondContact O-N 2.76Å; L257-Q261 WeakPolarHBondContact O-CB 3.1Å; L257-Q261 PolarHBondContact O-N 3.21Å; L257-I267 HydrophobicContact CD2-CD1 4.39Å; L257-I267 HydrophobicContact CD2-CG1 4.4Å; L257-I267 HydrophobicContact CD2-CG2 3.92Å; L257-I267 HydrophobicContact CG-CD1 4.45Å
258V90.8Very high89.2Confident73 Ų7373.8 Ų73.844%0.44239%0.393SS..Hα-helixtrans-57.5-41.1179.2172.90000111.6Y254 Q255 I267Y254-V258 HydrophobicContact CD1-CG2 3.8Å; Y254-V258 HydrophobicContact CE1-CG2 3.51Å; Y254-V258 VanDerWaalsContact O-CG2 3.31Å; Y254-V258 WeakPolarHBondContact O-CG2 3.46Å; Y254-V258 PolarHBondContact O-N 2.78Å; Q255-V258 PolarHBondContact O-N 3.21Å; V258-I267 HydrophobicContact CB-CD1 4.38Å; V258-I267 HydrophobicContact CG2-CD1 3.5Å; V258-I267 VanDerWaalsContact CG2-CD1 3.5Å
259Y91.2Very high89.3Confident194 Ų19470.6 Ų70.676%0.76138%0.379SS*.Hα-helixtrans-67.1-37.1-178.7-176.9-96.5000113.3Q255 S256 L257Q255-Y259 WeakPolarHBondContact O-CB 3.1Å; Q255-Y259 PolarHBondContact O-N 3.03Å; S256-Y259 PolarHBondContact O-N 2.89Å; L257-Y259 VanDerWaalsContact C-N 3.27Å; L257-Y259 PolarHBondContact O-N 3.18Å
260H88.8Confident89.4Confident138 Ų13868.5 Ų68.564%0.63937%0.369SS*.Hα-helixtrans-93-8.6-177-63.693.4000113.7S256 L257S256-H260 PolarHBondContact O-N 3.08Å; S256-H260 VanDerWaalsContact O-N 3.14Å; S256-H260 PolarHBondContact O-ND1 3Å; L257-H260 PolarHBondContact O-N 2.76Å
261Q83Confident89.5Confident45 Ų4568 Ų6821%0.2137%0.367CS..SBendtrans-81.6136.3-177.4-176.3151.8-18.400111.7L257 T263 A265 S266 I267L257-Q261 WeakPolarHBondContact O-CB 3.1Å; L257-Q261 PolarHBondContact O-N 3.21Å; Q261-T263 PolarHBondContact O-N 2.96Å; Q261-A265 HydrophobicContact CG-CB 3.79Å; Q261-A265 VanDerWaalsContact NE2-C 3.34Å; Q261-A265 PolarHBondContact NE2-O 3.08Å; Q261-S266 PolarHBondContact NE2-O 3.18Å; Q261-I267 VanDerWaalsContact CD-CG1 3.4Å; Q261-I267 VanDerWaalsContact NE2-CG1 3.34Å
262P81.8Confident89.6Confident87 Ų8766.8 Ų66.857%0.56536%0.362SS*.  trans-55.7138.4171.3-24.633.8000110.8T264 A265P262-T264 PolarHBondContact O-N 2.81Å; P262-A265 HydrophobicContact CB-CB 4.49Å; P262-A265 PolarHBondContact O-N 2.86Å
263T74.1Confident89.8Confident151 Ų15161.1 Ų61.193%0.92634%0.335SS*.THydrogen-bonded Turntrans-57.4-20.1-177.950.70000114.1Q261Q261-T263 PolarHBondContact O-N 2.96Å
264T70.8Confident89.8Confident132 Ų13260.1 Ų60.181%0.8133%0.33SS*.THydrogen-bonded Turntrans-88.1-13.9178.8560000113.9P262P262-T264 PolarHBondContact O-N 2.81Å
265A77.6Confident89.8Confident47 Ų4757.9 Ų57.939%0.38832%0.323SS..SBendtrans-89124.5-17700000110.6Q261 P262Q261-A265 HydrophobicContact CG-CB 3.79Å; Q261-A265 VanDerWaalsContact NE2-C 3.34Å; Q261-A265 PolarHBondContact NE2-O 3.08Å; P262-A265 HydrophobicContact CB-CB 4.49Å; P262-A265 PolarHBondContact O-N 2.86Å
266S81.7Confident89.9Confident74 Ų7452.6 Ų52.652%0.51730%0.299SS..PPolyproline II helixtrans-75.7137.7172.2520000111.3Q261Q261-S266 PolarHBondContact NE2-O 3.18Å
267I89.6Confident90Very high29 Ų2949.7 Ų49.715%0.14928%0.279CS..PPolyproline II helixtrans-87.9122.6175.9-66.7170000108.9M1 P155 Y254 L257 V258 Q261M1-I267 VanDerWaalsContact CE-C 3.46Å; M1-I267 VanDerWaalsContact CE-O 3.25Å; M1-I267 WeakPolarHBondContact CE-O 3.28Å; P155-I267 HydrophobicContact CG-CG2 3.99Å; Y254-I267 HydrophobicContact CE2-CG2 4.1Å; L257-I267 HydrophobicContact CD2-CD1 4.39Å; L257-I267 HydrophobicContact CD2-CG1 4.4Å; L257-I267 HydrophobicContact CD2-CG2 3.92Å; L257-I267 HydrophobicContact CG-CD1 4.45Å; V258-I267 HydrophobicContact CB-CD1 4.38Å; V258-I267 HydrophobicContact CG2-CD1 3.5Å; V258-I267 VanDerWaalsContact CG2-CD1 3.5Å; Q261-I267 VanDerWaalsContact CD-CG1 3.4Å; Q261-I267 VanDerWaalsContact NE2-CG1 3.34Å
268G93.8Very high90.2Very high3 Ų347.5 Ų47.53%0.03127%0.268CS..PPolyproline II helixtrans-61.9158.3173.400000113.2M1 Y152 P155M1-G268 VanDerWaalsContact CE-CA 3.47Å; Y152-G268 VanDerWaalsContact O-CA 3.26Å; Y152-G268 WeakPolarHBondContact O-CA 3.48Å; P155-G268 WeakPolarHBondContact CD-O 3.5Å
269P96.9Very high90.4Very high2 Ų244.1 Ų44.11%0.01325%0.247CC..PPolyproline II helixtrans-63.9151.317828-35.3000111.9C129 I132 C154C129-P269 WeakPolarHBondContact O-CB 3.32Å; I132-P269 HydrophobicContact CD1-CB 4.28Å; I132-P269 HydrophobicContact CD1-CG 3.47Å; I132-P269 VanDerWaalsContact CD1-CG 3.47Å; I132-P269 HydrophobicContact CG1-CB 3.9Å; I132-P269 HydrophobicContact CG1-CG 3.62Å; C154-P269 VanDerWaalsContact CB-O 3.3Å; C154-P269 WeakPolarHBondContact CB-O 3.34Å; C154-P269 PolarHBondContact SG-O 3.32Å; C154-P269 VanDerWaalsContact SG-O 3.37Å
270T98.4Very high90.7Very high0 Ų035.2 Ų35.20%021%0.212CC..EExtended strand (participates in β ladder)trans-76.7125.9169.5-690000109.7E130 F131 I132 F156 V158 Y250 V272E130-T270 PolarHBondContact O-N 2.57Å; F131-T270 CarbonylContact C-O 3.56Å; F131-T270 WeakPolarHBondContact CA-O 3.43Å; F131-T270 WeakPolarHBondContact CB-O 3.33Å; F131-T270 HydrophobicContact CD1-CG2 4.14Å; I132-T270 PolarHBondContact N-O 3.41Å; F156-T270 HydrophobicContact CB-CG2 3.86Å; V158-T270 HydrophobicContact CG2-CG2 3.99Å; Y250-T270 HydrophobicContact CE2-CG2 3.68Å; Y250-T270 WeakPolarHBondContact CE2-OG1 3.47Å; Y250-T270 PolarHBondContact OH-OG1 3.45Å; T270-V272 HydrophobicContact CG2-CG2 3.93Å
271V98.8Very high91.1Very high0 Ų028.6 Ų28.60%018%0.182CC..EExtended strand (participates in β ladder)trans-77.9128.7171.7-179.90000108.9I132 T134 F145 M148 V149 C154 F156 I157 V158I132-V271 HydrophobicContact CB-CG2 4.24Å; I132-V271 HydrophobicContact CD1-CG2 4.29Å; I132-V271 CarbonylContact O-C 3.48Å; T134-V271 HydrophobicContact CG2-CG1 3.68Å; F145-V271 HydrophobicContact CE2-CG1 3.85Å; F145-V271 HydrophobicContact CZ-CG1 4.06Å; M148-V271 HydrophobicContact CE-CG1 4.09Å; M148-V271 HydrophobicContact CE-CG2 4.1Å; V149-V271 HydrophobicContact CG2-CG2 4.13Å; C154-V271 HydrophobicContact CB-CG2 3.94Å; F156-V271 PolarHBondContact O-N 2.81Å; I157-V271 CarbonylContact C-O 3.53Å; I157-V271 VanDerWaalsContact CA-O 3.3Å; I157-V271 WeakPolarHBondContact CA-O 3.37Å; I157-V271 HydrophobicContact CG1-CB 4.18Å; V158-V271 PolarHBondContact N-O 3.43Å
272V98.8Very high91.9Very high0 Ų026.5 Ų26.50%017%0.172CC..EExtended strand (participates in β ladder)trans-126.6124.8176.1-171.20000108.4F131 I132 A133 T134 V158 L160 T270 T281 F284 I285F131-V272 HydrophobicContact CB-CG2 4.39Å; F131-V272 HydrophobicContact CD1-CG2 3.84Å; F131-V272 HydrophobicContact CG-CG2 4.47Å; I132-V272 PolarHBondContact O-N 3.12Å; A133-V272 WeakPolarHBondContact CA-O 3.46Å; T134-V272 PolarHBondContact N-O 3.03Å; T134-V272 VanDerWaalsContact N-O 3.15Å; V158-V272 HydrophobicContact CB-CG1 4.26Å; V158-V272 HydrophobicContact CB-CG2 4.34Å; V158-V272 WeakPolarHBondContact O-CA 3.31Å; L160-V272 HydrophobicContact CD1-CG1 3.79Å; T270-V272 HydrophobicContact CG2-CG2 3.93Å; V272-T281 HydrophobicContact CB-CG2 3.99Å; V272-T281 HydrophobicContact CG1-CG2 3.75Å; V272-T281 WeakPolarHBondContact O-CG2 3.16Å; V272-F284 HydrophobicContact CG1-CD1 3.78Å; V272-F284 HydrophobicContact CG1-CE1 4.45Å; V272-F284 HydrophobicContact CG2-CD1 4.27Å; V272-F284 HydrophobicContact CG2-CE1 4.3Å; V272-I285 HydrophobicContact CB-CD1 4.23Å; V272-I285 HydrophobicContact CB-CG1 4.45Å; V272-I285 HydrophobicContact CG1-CG1 4.41Å; V272-I285 HydrophobicContact CG2-CD1 4.24Å; V272-I285 HydrophobicContact CG2-CG1 4.17Å
273H98.4Very high92.6Very high0 Ų022.3 Ų22.30%015%0.145CC..EExtended strand (participates in β ladder)trans-141.8156.4178.882.392000112.1T134 V158 M159 L160 Y174 T281T134-H273 HydrophobicContact CG2-CB 3.65Å; T134-H273 WeakPolarHBondContact O-CA 3.29Å; T134-H273 WeakPolarHBondContact O-CB 3.41Å; V158-H273 PolarHBondContact O-N 2.87Å; M159-H273 VanDerWaalsContact CB-NE2 3.34Å; M159-H273 WeakPolarHBondContact CB-NE2 3.34Å; M159-H273 VanDerWaalsContact CG-CE1 3.47Å; M159-H273 WeakPolarHBondContact CG-CE1 3.47Å; M159-H273 WeakPolarHBondContact CG-NE2 3.18Å; L160-H273 PolarHBondContact N-O 3.43Å; Y174-H273 AromaticContact CE1-CE1 3.62Å; Y174-H273 AromaticContact CE1-NE2 3.45Å; Y174-H273 WeakPolarHBondContact CE1-NE2 3.37Å; Y174-H273 AromaticContact CZ-NE2 3.41Å; Y174-H273 PolarHBondContact OH-NE2 3.2Å; H273-T281 VanDerWaalsContact C-OG1 3.3Å; H273-T281 WeakPolarHBondContact CA-OG1 3.41Å
274C95.9Very high93.8Very high6 Ų615.1 Ų15.14%0.04110%0.101CC..  trans-125.7-128.8164.260.20000107.4G136 L160 T161 G277 R280 T281G136-C274 VanDerWaalsContact CA-O 3.23Å; G136-C274 WeakPolarHBondContact CA-O 3.32Å; G136-C274 PolarHBondContact N-O 3.43Å; G136-C274 VanDerWaalsContact N-O 3.16Å; L160-C274 HydrophobicContact CB-CB 4.15Å; T161-C274 WeakPolarHBondContact CG2-O 3.22Å; C274-G277 PolarHBondContact SG-N 2.99Å; C274-R280 HydrophobicContact CB-CB 3.96Å; C274-R280 HydrophobicContact CB-CG 4.35Å; C274-T281 PolarHBondContact N-OG1 3.12Å
275S95Very high95.1Very high7 Ų78.9 Ų8.95%0.0496%0.062CC..SBendtrans-83.8-63.8168.2177.30000110.7Y72 Q135 G136 I170Y72-S275 WeakPolarHBondContact CE2-OG 3.12Å; Y72-S275 PolarHBondContact OH-OG 3.11Å; Q135-S275 CarbonylContact C-O 3.58Å; Q135-S275 WeakPolarHBondContact CA-O 3.48Å; Q135-S275 WeakPolarHBondContact CB-O 3.36Å; G136-S275 PolarHBondContact N-O 2.9Å; I170-S275 WeakPolarHBondContact O-CB 3.48Å; I170-S275 PolarHBondContact O-OG 2.88Å
276A94.7Very high96.1Very high9 Ų96.6 Ų6.67%0.0744%0.044CC..SBendtrans-78.5-21.2176.800000114.8Y72 Y73 V278 R314Y72-A276 HydrophobicContact CG-CB 4.25Å; Y73-A276 HydrophobicContact CD2-CB 3.52Å; Y73-A276 HydrophobicContact CE2-CB 3.53Å; A276-V278 HydrophobicContact CB-CG2 3.83Å; A276-R314 PolarHBondContact O-NH2 2.99Å
277G96.8Very high96.8Very high0 Ų03.1 Ų3.10%02%0.019CC..SBendtrans7623-173.400000114.8T134 C274 T281 R314T134-G277 WeakPolarHBondContact O-CA 3.47Å; C274-G277 PolarHBondContact SG-N 2.99Å; G277-T281 WeakPolarHBondContact CA-OG1 3.24Å; G277-R314 WeakPolarHBondContact O-CD 3.44Å; G277-R314 PolarHBondContact O-NE 3.43Å
278V96.3Very high97.2Very high1 Ų12.2 Ų2.21%0.0062%0.015CC..SBendtrans-125.9-59.3-174.2-55.30000113Y73 A276 G282 R314 Y315 C316 V318 E319Y73-V278 HydrophobicContact CD2-CG1 4.21Å; Y73-V278 HydrophobicContact CD2-CG2 3.87Å; Y73-V278 HydrophobicContact CE2-CG2 3.66Å; A276-V278 HydrophobicContact CB-CG2 3.83Å; V278-G282 WeakPolarHBondContact O-CA 3.5Å; V278-G282 PolarHBondContact O-N 2.9Å; V278-R314 HydrophobicContact CG1-CG 4.34Å; V278-Y315 WeakPolarHBondContact CG1-O 3.39Å; V278-C316 HydrophobicContact CG2-CB 4.49Å; V278-V318 PolarHBondContact O-N 2.87Å; V278-E319 HydrophobicContact CG2-CB 4.38Å; V278-E319 HydrophobicContact CG2-CG 4.49Å
279G96.1Very high97.3Very high1 Ų12.1 Ų2.11%0.011%0.014CC..Hα-helixtrans-65-81.2-174.800000113.1T281 G282 T283G279-T281 VanDerWaalsContact C-N 3.26Å; G279-T281 PolarHBondContact O-N 3.47Å; G279-G282 PolarHBondContact O-N 3.42Å; G279-G282 VanDerWaalsContact O-N 3.12Å; G279-T283 PolarHBondContact O-N 2.76Å; G279-T283 PolarHBondContact O-OG1 2.94Å
280R97.1Very high97.1Very high7 Ų72.2 Ų2.23%0.0261%0.014CC..Hα-helixtrans-57.3-39.3179-48.3-178.4-153.1177.87.9112.4L160 W232 N234 C274 T283 F284L160-R280 HydrophobicContact CB-CB 4.07Å; L160-R280 HydrophobicContact CD1-CB 4.24Å; L160-R280 WeakPolarHBondContact CD1-O 3.23Å; L160-R280 WeakPolarHBondContact O-CD 3.11Å; L160-R280 PolarHBondContact O-NH1 2.93Å; W232-R280 HydrophobicContact CD2-CB 4.17Å; W232-R280 HydrophobicContact CD2-CG 3.98Å; W232-R280 HydrophobicContact CE3-CB 4.16Å; W232-R280 HydrophobicContact CE3-CG 4.48Å; W232-R280 HydrophobicContact CG-CG 4.44Å; W232-R280 HydrophobicContact CH2-CB 3.86Å; W232-R280 HydrophobicContact CH2-CG 4.38Å; W232-R280 HydrophobicContact CZ2-CB 3.83Å; W232-R280 HydrophobicContact CZ2-CG 3.83Å; W232-R280 HydrophobicContact CZ3-CB 4Å; W232-R280 PolarHBondContact O-NH1 3.38Å; N234-R280 PolarHBondContact OD1-NH2 3.12Å; C274-R280 HydrophobicContact CB-CB 3.96Å; C274-R280 HydrophobicContact CB-CG 4.35Å; R280-T283 PolarHBondContact O-N 3.45Å; R280-F284 WeakPolarHBondContact O-CB 3.47Å; R280-F284 PolarHBondContact O-N 3.18Å
281T98.1Very high96.8Very high0 Ų02.3 Ų2.30%01%0.014CC..Hα-helixtrans-56.3-51.3174.4-65.10000111.9A133 V272 H273 C274 G277 G279 T283 F284 I285 M317A133-T281 HydrophobicContact CB-CG2 3.71Å; V272-T281 HydrophobicContact CB-CG2 3.99Å; V272-T281 HydrophobicContact CG1-CG2 3.75Å; V272-T281 WeakPolarHBondContact O-CG2 3.16Å; H273-T281 VanDerWaalsContact C-OG1 3.3Å; H273-T281 WeakPolarHBondContact CA-OG1 3.41Å; C274-T281 PolarHBondContact N-OG1 3.12Å; G277-T281 WeakPolarHBondContact CA-OG1 3.24Å; G279-T281 VanDerWaalsContact C-N 3.26Å; G279-T281 PolarHBondContact O-N 3.47Å; T281-T283 PolarHBondContact O-N 3Å; T281-F284 PolarHBondContact O-N 3.26Å; T281-I285 HydrophobicContact CG2-CD1 4.01Å; T281-I285 WeakPolarHBondContact O-CB 3.31Å; T281-I285 WeakPolarHBondContact O-CG1 3.21Å; T281-I285 PolarHBondContact O-N 3.33Å; T281-M317 HydrophobicContact CG2-CE 4.23Å
282G98.2Very high96.5Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-66.2-36.2177.900000113.2V278 G279 T286V278-G282 WeakPolarHBondContact O-CA 3.5Å; V278-G282 PolarHBondContact O-N 2.9Å; G279-G282 PolarHBondContact O-N 3.42Å; G279-G282 VanDerWaalsContact O-N 3.12Å; G282-T286 WeakPolarHBondContact O-CB 3.2Å; G282-T286 PolarHBondContact O-N 3.12Å; G282-T286 PolarHBondContact O-OG1 2.91Å
283T98.1Very high96.1Very high0 Ų05.9 Ų5.90%03%0.03CC..Hα-helixtrans-62.8-49.4174.2-54.90000111.4W232 M243 G279 R280 T281 I285 T286 A287 Q323 F326 L327W232-T283 HydrophobicContact CH2-CG2 3.63Å; W232-T283 HydrophobicContact CZ2-CG2 4.08Å; M243-T283 HydrophobicContact CE-CG2 4.15Å; G279-T283 PolarHBondContact O-N 2.76Å; G279-T283 PolarHBondContact O-OG1 2.94Å; R280-T283 PolarHBondContact O-N 3.45Å; T281-T283 PolarHBondContact O-N 3Å; T283-I285 PolarHBondContact O-N 3.25Å; T283-T286 PolarHBondContact O-N 3.31Å; T283-A287 WeakPolarHBondContact O-CB 3.42Å; T283-A287 PolarHBondContact O-N 2.95Å; T283-Q323 WeakPolarHBondContact OG1-CB 3.48Å; T283-F326 HydrophobicContact CG2-CD1 3.89Å; T283-F326 HydrophobicContact CG2-CE1 4.26Å; T283-L327 HydrophobicContact CG2-CD2 3.83Å; T283-L327 HydrophobicContact CG2-CG 3.99Å; T283-L327 WeakPolarHBondContact O-CD2 3.39Å
284F98.3Very high95.6Very high0 Ų05.9 Ų5.90%03%0.03CC..Hα-helixtrans-61.4-46.4177.8175.4-102.4000112.1V158 L160 M243 L246 V247 Y250 V272 R280 T281 T286 A287 L288V158-F284 HydrophobicContact CB-CE1 4.09Å; V158-F284 HydrophobicContact CB-CZ 4.48Å; V158-F284 HydrophobicContact CG1-CD1 4.13Å; V158-F284 HydrophobicContact CG1-CE1 3.8Å; V158-F284 HydrophobicContact CG1-CE2 4.33Å; V158-F284 HydrophobicContact CG1-CZ 3.9Å; V158-F284 HydrophobicContact CG2-CE1 3.87Å; V158-F284 HydrophobicContact CG2-CZ 4.05Å; L160-F284 HydrophobicContact CD1-CB 3.56Å; L160-F284 HydrophobicContact CD1-CD1 4.49Å; L160-F284 HydrophobicContact CD1-CG 4.1Å; L160-F284 HydrophobicContact CD2-CB 4.36Å; L160-F284 HydrophobicContact CD2-CD2 4.41Å; L160-F284 HydrophobicContact CD2-CG 4.35Å; M243-F284 HydrophobicContact SD-CD2 4.08Å; L246-F284 HydrophobicContact CD2-CD2 3.78Å; L246-F284 HydrophobicContact CD2-CE2 3.65Å; L246-F284 HydrophobicContact CG-CD2 4.44Å; L246-F284 HydrophobicContact CG-CE2 3.84Å; V247-F284 HydrophobicContact CG2-CD2 4.32Å; V247-F284 HydrophobicContact CG2-CE2 3.95Å; Y250-F284 HydrophobicContact CG-CZ 4.26Å; V272-F284 HydrophobicContact CG1-CD1 3.78Å; V272-F284 HydrophobicContact CG1-CE1 4.45Å; V272-F284 HydrophobicContact CG2-CD1 4.27Å; V272-F284 HydrophobicContact CG2-CE1 4.3Å; R280-F284 WeakPolarHBondContact O-CB 3.47Å; R280-F284 PolarHBondContact O-N 3.18Å; T281-F284 PolarHBondContact O-N 3.26Å; F284-T286 VanDerWaalsContact C-N 3.33Å; F284-T286 PolarHBondContact O-N 3.14Å; F284-A287 WeakPolarHBondContact O-CB 3.4Å; F284-A287 PolarHBondContact O-N 2.84Å; F284-L288 HydrophobicContact CD1-CD1 4.03Å; F284-L288 HydrophobicContact CE1-CD1 3.34Å; F284-L288 HydrophobicContact CE1-CG 4.09Å; F284-L288 HydrophobicContact CE2-CD1 4.37Å; F284-L288 HydrophobicContact CE2-CG 4.32Å; F284-L288 HydrophobicContact CZ-CD1 3.55Å; F284-L288 HydrophobicContact CZ-CD2 4.26Å; F284-L288 HydrophobicContact CZ-CG 3.97Å; F284-L288 PolarHBondContact O-N 3.48Å
285I98.6Very high95.2Very high0 Ų010.5 Ų10.50%05%0.047CC..Hα-helixtrans-61.1-42.9178.2-71.2174000110.8I110 F131 A133 V272 T281 T283 A287 L288 I289 L310 M317I110-I285 HydrophobicContact CG1-CD1 4.18Å; I110-I285 HydrophobicContact CG2-CG2 4.12Å; F131-I285 HydrophobicContact CB-CD1 4.05Å; F131-I285 HydrophobicContact CD1-CG1 4.39Å; F131-I285 HydrophobicContact CD2-CD1 4.43Å; F131-I285 HydrophobicContact CD2-CG1 4.33Å; F131-I285 HydrophobicContact CD2-CG2 4.06Å; F131-I285 HydrophobicContact CE2-CG2 4.11Å; F131-I285 HydrophobicContact CG-CD1 4.16Å; F131-I285 HydrophobicContact CG-CG1 4.19Å; A133-I285 HydrophobicContact CB-CD1 4.38Å; V272-I285 HydrophobicContact CB-CD1 4.23Å; V272-I285 HydrophobicContact CB-CG1 4.45Å; V272-I285 HydrophobicContact CG1-CG1 4.41Å; V272-I285 HydrophobicContact CG2-CD1 4.24Å; V272-I285 HydrophobicContact CG2-CG1 4.17Å; T281-I285 HydrophobicContact CG2-CD1 4.01Å; T281-I285 WeakPolarHBondContact O-CB 3.31Å; T281-I285 WeakPolarHBondContact O-CG1 3.21Å; T281-I285 PolarHBondContact O-N 3.33Å; T283-I285 PolarHBondContact O-N 3.25Å; I285-A287 PolarHBondContact O-N 3.14Å; I285-L288 PolarHBondContact O-N 2.81Å; I285-I289 HydrophobicContact CG2-CD1 3.72Å; I285-I289 HydrophobicContact CG2-CG1 4.42Å; I285-I289 VanDerWaalsContact O-CG1 3.29Å; I285-I289 WeakPolarHBondContact O-CG1 3.44Å; I285-I289 PolarHBondContact O-N 2.82Å; I285-L310 HydrophobicContact CB-CD1 4.43Å; I285-L310 HydrophobicContact CG2-CD1 3.92Å; I285-L310 HydrophobicContact CG2-CD2 3.79Å; I285-M317 HydrophobicContact CD1-CE 3.98Å
286T98Very high94.8Very high0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-64.2-42.2177.5-58.50000111.2G282 T283 F284 L288 I289 V290 L303 I306 V307 L310 L327G282-T286 WeakPolarHBondContact O-CB 3.2Å; G282-T286 PolarHBondContact O-N 3.12Å; G282-T286 PolarHBondContact O-OG1 2.91Å; T283-T286 PolarHBondContact O-N 3.31Å; F284-T286 VanDerWaalsContact C-N 3.33Å; F284-T286 PolarHBondContact O-N 3.14Å; T286-L288 VanDerWaalsContact C-N 3.3Å; T286-L288 PolarHBondContact O-N 3.4Å; T286-I289 PolarHBondContact O-N 2.94Å; T286-V290 HydrophobicContact CG2-CG2 4.18Å; T286-V290 VanDerWaalsContact O-CG2 3.31Å; T286-V290 WeakPolarHBondContact O-CG2 3.18Å; T286-V290 PolarHBondContact O-N 3.38Å; T286-L303 HydrophobicContact CG2-CG 4.37Å; T286-I306 HydrophobicContact CG2-CG2 3.85Å; T286-V307 HydrophobicContact CG2-CG2 4.25Å; T286-L310 WeakPolarHBondContact OG1-CD1 3.44Å; T286-L327 HydrophobicContact CG2-CD1 3.76Å; T286-L327 HydrophobicContact CG2-CD2 3.91Å; T286-L327 HydrophobicContact CG2-CG 4.39Å
287A97.3Very high94.3Very high1 Ų113.7 Ų13.71%0.0087%0.071CC..Hα-helixtrans-58.9-40.617600000112.3T283 F284 I285 R291 L327 Y330T283-A287 WeakPolarHBondContact O-CB 3.42Å; T283-A287 PolarHBondContact O-N 2.95Å; F284-A287 WeakPolarHBondContact O-CB 3.4Å; F284-A287 PolarHBondContact O-N 2.84Å; I285-A287 PolarHBondContact O-N 3.14Å; A287-R291 WeakPolarHBondContact O-CB 3.3Å; A287-R291 PolarHBondContact O-N 3.37Å; A287-R291 VanDerWaalsContact O-N 3.13Å; A287-L327 HydrophobicContact CB-CD2 4.25Å; A287-Y330 HydrophobicContact CB-CD1 3.87Å; A287-Y330 HydrophobicContact CB-CE1 3.64Å
288L97Very high93.6Very high9 Ų914 Ų145%0.0477%0.073CC..Hα-helixtrans-64.6-48174.1-73.6179.5000112.4F131 V247 Y250 F284 I285 T286 V290 R291 K292F131-L288 HydrophobicContact CE1-CD1 3.59Å; F131-L288 HydrophobicContact CZ-CB 4.44Å; F131-L288 HydrophobicContact CZ-CD1 3.71Å; V247-L288 HydrophobicContact CB-CD2 4.31Å; V247-L288 HydrophobicContact CG1-CD2 3.76Å; V247-L288 HydrophobicContact CG2-CD2 4.09Å; Y250-L288 HydrophobicContact CD1-CD1 3.78Å; Y250-L288 HydrophobicContact CD1-CD2 3.53Å; Y250-L288 HydrophobicContact CD1-CG 4.34Å; Y250-L288 HydrophobicContact CE1-CD1 3.62Å; Y250-L288 HydrophobicContact CE1-CD2 3.98Å; Y250-L288 HydrophobicContact CE1-CG 4.46Å; Y250-L288 HydrophobicContact CG-CD1 4.47Å; Y250-L288 HydrophobicContact CG-CD2 4.43Å; F284-L288 HydrophobicContact CD1-CD1 4.03Å; F284-L288 HydrophobicContact CE1-CD1 3.34Å; F284-L288 HydrophobicContact CE1-CG 4.09Å; F284-L288 HydrophobicContact CE2-CD1 4.37Å; F284-L288 HydrophobicContact CE2-CG 4.32Å; F284-L288 HydrophobicContact CZ-CD1 3.55Å; F284-L288 HydrophobicContact CZ-CD2 4.26Å; F284-L288 HydrophobicContact CZ-CG 3.97Å; F284-L288 PolarHBondContact O-N 3.48Å; I285-L288 PolarHBondContact O-N 2.81Å; T286-L288 VanDerWaalsContact C-N 3.3Å; T286-L288 PolarHBondContact O-N 3.4Å; L288-V290 PolarHBondContact O-N 2.92Å; L288-R291 PolarHBondContact O-N 3.03Å; L288-K292 VanDerWaalsContact O-CB 3.29Å; L288-K292 WeakPolarHBondContact O-CB 3.19Å; L288-K292 PolarHBondContact O-N 2.83Å
289I95.7Very high92.8Very high2 Ų219 Ų191%0.0110%0.096CC..Hα-helixtrans-60.6-48.5-179-67.1166.6000110.3I113 I285 T286 R291 K292 H293 I306 L310I113-I289 HydrophobicContact CB-CG2 4.26Å; I113-I289 HydrophobicContact CD1-CD1 3.88Å; I113-I289 HydrophobicContact CD1-CG2 4.48Å; I113-I289 HydrophobicContact CG1-CD1 4.18Å; I285-I289 HydrophobicContact CG2-CD1 3.72Å; I285-I289 HydrophobicContact CG2-CG1 4.42Å; I285-I289 VanDerWaalsContact O-CG1 3.29Å; I285-I289 WeakPolarHBondContact O-CG1 3.44Å; I285-I289 PolarHBondContact O-N 2.82Å; T286-I289 PolarHBondContact O-N 2.94Å; I289-R291 PolarHBondContact O-N 3.12Å; I289-K292 PolarHBondContact O-N 2.84Å; I289-H293 WeakPolarHBondContact O-CB 3.48Å; I289-H293 PolarHBondContact O-CD2 3.34Å; I289-H293 PolarHBondContact O-N 2.64Å; I289-I306 HydrophobicContact CB-CG2 4.4Å; I289-I306 HydrophobicContact CD1-CG2 4.09Å; I289-I306 HydrophobicContact CG2-CD1 3.84Å; I289-I306 HydrophobicContact CG2-CG1 4.14Å; I289-I306 HydrophobicContact CG2-CG2 4.15Å; I289-L310 HydrophobicContact CD1-CD2 4.15Å
290V93Very high92.2Very high3 Ų319.1 Ų19.12%0.01810%0.096CC..Hα-helixtrans-60-46.2179.2175.30000110.6T286 L288 H293 L294 I301 I306 F331 I334T286-V290 HydrophobicContact CG2-CG2 4.18Å; T286-V290 VanDerWaalsContact O-CG2 3.31Å; T286-V290 WeakPolarHBondContact O-CG2 3.18Å; T286-V290 PolarHBondContact O-N 3.38Å; L288-V290 PolarHBondContact O-N 2.92Å; V290-H293 PolarHBondContact O-N 2.85Å; V290-L294 HydrophobicContact CG1-CD1 4.32Å; V290-L294 WeakPolarHBondContact O-CG 3.29Å; V290-L294 PolarHBondContact O-N 3.25Å; V290-I301 HydrophobicContact CG1-CD1 4.11Å; V290-I301 HydrophobicContact CG1-CG2 4.43Å; V290-I301 HydrophobicContact CG2-CG2 4.39Å; V290-I306 HydrophobicContact CG2-CD1 3.89Å; V290-F331 HydrophobicContact CG1-CB 4.35Å; V290-F331 HydrophobicContact CG1-CD1 4.31Å; V290-F331 HydrophobicContact CG1-CD2 3.55Å; V290-F331 HydrophobicContact CG1-CE2 3.93Å; V290-F331 HydrophobicContact CG1-CG 3.82Å; V290-F331 HydrophobicContact CG1-CZ 4.45Å; V290-I334 HydrophobicContact CG1-CD1 3.8Å
291R93.2Very high91.7Very high3 Ų318.8 Ų18.81%0.01110%0.095CC..Hα-helixtrans-63.1-43.5178.6-172.3-179.7-176.285.116.2112.4D244 K248 E251 A287 L288 I289 L294 R295 I334 E338D244-R291 IonicContact OD1-CZ 3.86Å; D244-R291 IonicContact OD1-NH1 2.88Å; D244-R291 PolarHBondContact OD1-NH1 3.37Å; D244-R291 IonicContact OD1-NH2 3.48Å; K248-R291 VanDerWaalsContact CE-NH2 3.33Å; E251-R291 VanDerWaalsContact OE1-CD 3.32Å; E251-R291 WeakPolarHBondContact OE1-CD 3.48Å; E251-R291 IonicContact OE1-NE 2.59Å; E251-R291 PolarHBondContact OE1-NE 3.21Å; E251-R291 IonicContact OE2-CZ 3.97Å; E251-R291 IonicContact OE2-NE 3.76Å; E251-R291 PolarHBondContact OE2-NE 3.03Å; A287-R291 WeakPolarHBondContact O-CB 3.3Å; A287-R291 PolarHBondContact O-N 3.37Å; A287-R291 VanDerWaalsContact O-N 3.13Å; L288-R291 PolarHBondContact O-N 3.03Å; I289-R291 PolarHBondContact O-N 3.12Å; R291-L294 PolarHBondContact O-N 3.48Å; R291-R295 WeakPolarHBondContact O-CB 3.46Å; R291-R295 WeakPolarHBondContact O-CG 3.2Å; R291-R295 PolarHBondContact O-N 3.33Å; R291-I334 HydrophobicContact CB-CD1 4.31Å; R291-E338 IonicContact CZ-OE1 2.82Å; R291-E338 VanDerWaalsContact CZ-OE1 3.26Å; R291-E338 IonicContact NE-OE1 3.77Å; R291-E338 IonicContact NH1-OE1 2.93Å; R291-E338 IonicContact NH2-OE1 2.78Å; R291-E338 PolarHBondContact NH2-OE1 2.54Å
292K92.2Very high91.3Very high72 Ų7218.9 Ų18.931%0.31310%0.096SC..Hα-helixtrans-58.8-46175176.5-178.4176.3-179.60111.3S112 E130 L288 I289 R295 S296S112-K292 PolarHBondContact OG-NZ 2.96Å; E130-K292 IonicContact OE1-NZ 3.63Å; E130-K292 PolarHBondContact OE1-NZ 3.08Å; E130-K292 IonicContact OE2-NZ 3.94Å; E130-K292 PolarHBondContact OE2-NZ 2.77Å; L288-K292 VanDerWaalsContact O-CB 3.29Å; L288-K292 WeakPolarHBondContact O-CB 3.19Å; L288-K292 PolarHBondContact O-N 2.83Å; I289-K292 PolarHBondContact O-N 2.84Å; K292-R295 PolarHBondContact O-N 2.94Å; K292-S296 PolarHBondContact O-N 3.22Å; K292-S296 VanDerWaalsContact O-N 3.1Å
293H90.8Very high91Very high2 Ų219 Ų191%0.00910%0.096CC..Hα-helixtrans-64.7-43.7178.2-75.9-146.8000111.7I113 E114 I289 V290 R295 S296 C298 I301I113-H293 PolarHBondContact O-NE2 3.01Å; I113-H293 VanDerWaalsContact O-NE2 3.12Å; E114-H293 PolarHBondContact O-CE1 3.09Å; I289-H293 WeakPolarHBondContact O-CB 3.48Å; I289-H293 PolarHBondContact O-CD2 3.34Å; I289-H293 PolarHBondContact O-N 2.64Å; V290-H293 PolarHBondContact O-N 2.85Å; H293-R295 VanDerWaalsContact C-N 3.32Å; H293-R295 PolarHBondContact O-N 3.44Å; H293-S296 PolarHBondContact O-N 3.13Å; H293-S296 PolarHBondContact O-OG 2.95Å; H293-C298 WeakPolarHBondContact O-CB 3.31Å; H293-C298 PolarHBondContact O-N 3.18Å; H293-C298 PolarHBondContact O-SG 3.36Å; H293-I301 HydrophobicContact CB-CD1 4Å; H293-I301 HydrophobicContact CB-CG1 4.38Å
294L87.5Confident90.7Very high1 Ų119.1 Ų19.11%0.00510%0.097CC..Hα-helixtrans-61-41.8175.8-72.3174.4000112.7F26 V290 R291 S296 G297 I301 F331 I334 L335F26-L294 HydrophobicContact CE2-CD2 3.81Å; F26-L294 HydrophobicContact CZ-CD2 3.81Å; V290-L294 HydrophobicContact CG1-CD1 4.32Å; V290-L294 WeakPolarHBondContact O-CG 3.29Å; V290-L294 PolarHBondContact O-N 3.25Å; R291-L294 PolarHBondContact O-N 3.48Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 2.87Å; L294-G297 PolarHBondContact O-N 2.86Å; L294-G297 VanDerWaalsContact O-N 3.11Å; L294-I301 HydrophobicContact CD1-CD1 4.49Å; L294-I301 HydrophobicContact CD2-CD1 3.34Å; L294-I301 HydrophobicContact CD2-CG1 4.4Å; L294-I301 HydrophobicContact CG-CD1 3.46Å; L294-I301 VanDerWaalsContact CG-CD1 3.46Å; L294-F331 HydrophobicContact CD1-CD2 3.84Å; L294-F331 HydrophobicContact CD1-CE2 3.53Å; L294-F331 HydrophobicContact CD2-CE2 3.76Å; L294-F331 HydrophobicContact CD2-CZ 4.29Å; L294-F331 HydrophobicContact CG-CE2 3.98Å; L294-I334 HydrophobicContact CD1-CB 4.46Å; L294-I334 HydrophobicContact CD1-CD1 3.45Å; L294-I334 VanDerWaalsContact CD1-CD1 3.45Å; L294-I334 HydrophobicContact CD1-CG1 3.56Å; L294-L335 HydrophobicContact CD1-CD2 4.15Å; L294-L335 HydrophobicContact CD1-CG 4.46Å; L294-L335 HydrophobicContact CD2-CD2 3.77Å
295R87.8Confident90.5Very high103 Ų10319.1 Ų19.139%0.38910%0.097SC..Hα-helixtrans-70.7-24.2-179.2-76.1175163.6-170.3-11.4113.8E251 R291 K292 H293 G297 E338E251-R295 IonicContact OE1-CZ 2.97Å; E251-R295 IonicContact OE1-NH1 3.57Å; E251-R295 PolarHBondContact OE1-NH1 3.3Å; E251-R295 IonicContact OE2-CZ 3.05Å; E251-R295 IonicContact OE2-NH1 2.69Å; E251-R295 PolarHBondContact OE2-NH1 3.33Å; E251-R295 IonicContact OE2-NH2 2.72Å; R291-R295 WeakPolarHBondContact O-CB 3.46Å; R291-R295 WeakPolarHBondContact O-CG 3.2Å; R291-R295 PolarHBondContact O-N 3.33Å; K292-R295 PolarHBondContact O-N 2.94Å; H293-R295 VanDerWaalsContact C-N 3.32Å; H293-R295 PolarHBondContact O-N 3.44Å; R295-G297 PolarHBondContact O-N 3.44Å; R295-E338 IonicContact CZ-OE1 2.68Å; R295-E338 IonicContact NE-OE1 2.64Å; R295-E338 PolarHBondContact NE-OE1 3Å; R295-E338 IonicContact NE-OE2 3.74Å; R295-E338 PolarHBondContact NE-OE2 3.14Å; R295-E338 IonicContact NH2-OE1 2.88Å; R295-E338 PolarHBondContact NH2-OE1 3.02Å
296S87.2Confident90.3Very high67 Ų6719.2 Ų19.247%0.46910%0.097SC..THydrogen-bonded Turntrans-75.5-6.317269.20000113V115 K292 H293 L294V115-S296 WeakPolarHBondContact CG1-OG 3.5Å; V115-S296 VanDerWaalsContact CG2-OG 3.3Å; V115-S296 WeakPolarHBondContact CG2-OG 3.31Å; K292-S296 PolarHBondContact O-N 3.22Å; K292-S296 VanDerWaalsContact O-N 3.1Å; H293-S296 PolarHBondContact O-N 3.13Å; H293-S296 PolarHBondContact O-OG 2.95Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 2.87Å
297G83.2Confident90.2Very high16 Ų1619.2 Ų19.217%0.16510%0.097CC..THydrogen-bonded Turntrans83.718.9-179.800000114L294 R295 Y340L294-G297 PolarHBondContact O-N 2.86Å; L294-G297 VanDerWaalsContact O-N 3.11Å; R295-G297 PolarHBondContact O-N 3.44Å; G297-Y340 VanDerWaalsContact CA-CE1 3.4Å; G297-Y340 PolarHBondContact O-OH 3.19Å
298C82.5Confident90.1Very high6 Ų619.1 Ų19.14%0.04110%0.097CC..  trans-49.9143.7-176.371.20000112.8V115 H293 W300 I301V115-C298 HydrophobicContact CG1-CB 3.76Å; H293-C298 WeakPolarHBondContact O-CB 3.31Å; H293-C298 PolarHBondContact O-N 3.18Å; H293-C298 PolarHBondContact O-SG 3.36Å; C298-W300 PolarHBondContact SG-O 2.78Å; C298-I301 WeakPolarHBondContact SG-CG1 3.35Å
299H79.1Confident90Very high107 Ų10718.7 Ų18.750%0.49510%0.095SC..SBendtrans-79.9-19.9-179.4-70-66.4000113.6S23S23-H299 WeakPolarHBondContact CB-O 3.45Å; S23-H299 PolarHBondContact N-O 2.7Å; S23-H299 PolarHBondContact OG-O 3.15Å
300W83.4Confident90.1Very high2 Ų218.6 Ų18.61%0.0089%0.094CC..EExtended strand (participates in β ladder)trans-152.1158.2177.664.6-89.4000111.8V20 I21 P116 S118 D120 L123 C298V20-W300 HydrophobicContact CB-CB 4.29Å; V20-W300 HydrophobicContact CB-CD2 4.16Å; V20-W300 HydrophobicContact CB-CE3 3.72Å; V20-W300 HydrophobicContact CB-CG 4.45Å; V20-W300 HydrophobicContact CB-CZ3 4.35Å; V20-W300 HydrophobicContact CG1-CD2 4.14Å; V20-W300 HydrophobicContact CG1-CE3 3.54Å; V20-W300 HydrophobicContact CG1-CH2 4.3Å; V20-W300 HydrophobicContact CG1-CZ3 3.67Å; V20-W300 HydrophobicContact CG2-CB 4.3Å; I21-W300 CarbonylContact O-C 3.59Å; I21-W300 WeakPolarHBondContact O-CA 3.5Å; P116-W300 HydrophobicContact CB-CD2 4.03Å; P116-W300 HydrophobicContact CB-CH2 3.78Å; P116-W300 HydrophobicContact CB-CZ2 3.11Å; P116-W300 HydrophobicContact CB-CZ3 4.44Å; P116-W300 HydrophobicContact CG-CD2 4.11Å; P116-W300 HydrophobicContact CG-CE3 4.21Å; P116-W300 HydrophobicContact CG-CH2 3.58Å; P116-W300 HydrophobicContact CG-CZ2 3.48Å; P116-W300 VanDerWaalsContact CG-CZ2 3.48Å; P116-W300 HydrophobicContact CG-CZ3 3.93Å; S118-W300 VanDerWaalsContact C-NE1 3.33Å; S118-W300 WeakPolarHBondContact O-CZ2 3.47Å; S118-W300 PolarHBondContact O-NE1 2.94Å; D120-W300 VanDerWaalsContact O-CZ2 3.29Å; D120-W300 WeakPolarHBondContact O-CZ2 3.37Å; L123-W300 HydrophobicContact CD1-CH2 4.46Å; C298-W300 PolarHBondContact SG-O 2.78Å
301I87.3Confident90.3Very high1 Ų119 Ų191%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-135.4140.1172.8-63.5-172.1000109.5I21 V290 H293 L294 C298 I306 F331I21-I301 WeakPolarHBondContact CB-O 3.23Å; I21-I301 PolarHBondContact N-O 3.45Å; I21-I301 PolarHBondContact O-N 3.43Å; V290-I301 HydrophobicContact CG1-CD1 4.11Å; V290-I301 HydrophobicContact CG1-CG2 4.43Å; V290-I301 HydrophobicContact CG2-CG2 4.39Å; H293-I301 HydrophobicContact CB-CD1 4Å; H293-I301 HydrophobicContact CB-CG1 4.38Å; L294-I301 HydrophobicContact CD1-CD1 4.49Å; L294-I301 HydrophobicContact CD2-CD1 3.34Å; L294-I301 HydrophobicContact CD2-CG1 4.4Å; L294-I301 HydrophobicContact CG-CD1 3.46Å; L294-I301 VanDerWaalsContact CG-CD1 3.46Å; C298-I301 WeakPolarHBondContact SG-CG1 3.35Å; I301-I306 HydrophobicContact CG2-CD1 4.21Å; I301-F331 HydrophobicContact CB-CE1 4.31Å; I301-F331 HydrophobicContact CB-CZ 4.1Å; I301-F331 HydrophobicContact CD1-CE2 4.15Å; I301-F331 HydrophobicContact CD1-CZ 3.94Å; I301-F331 HydrophobicContact CG1-CZ 4.45Å; I301-F331 HydrophobicContact CG2-CE1 4.16Å; I301-F331 HydrophobicContact CG2-CZ 4.27Å
302S89.1Confident90.3Very high2 Ų218.9 Ų18.91%0.01410%0.095CC..  trans-122.595.2168.1-177.70000110.4P304 S305 I306S302-P304 VanDerWaalsContact C-CD 3.5Å; S302-S305 WeakPolarHBondContact CB-OG 3.37Å; S302-S305 PolarHBondContact O-N 3.13Å; S302-S305 WeakPolarHBondContact OG-CB 3.47Å; S302-S305 PolarHBondContact OG-N 2.84Å; S302-S305 PolarHBondContact OG-OG 3.45Å; S302-I306 WeakPolarHBondContact O-CG1 3.48Å; S302-I306 PolarHBondContact O-N 2.96Å
303L91.7Very high90.5Very high1 Ų115.5 Ų15.51%0.0058%0.08CC..Hα-helixtrans-55.4-44.5172.1-167.7165.7000111.7T286 S305 I306 V307 Y324 L327 F331T286-L303 HydrophobicContact CG2-CG 4.37Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 2.7Å; L303-I306 PolarHBondContact O-N 3.46Å; L303-V307 HydrophobicContact CD2-CG2 4.04Å; L303-V307 WeakPolarHBondContact O-CG2 3.49Å; L303-V307 PolarHBondContact O-N 2.89Å; L303-Y324 HydrophobicContact CD2-CD2 3.91Å; L303-Y324 HydrophobicContact CD2-CE2 3.22Å; L303-L327 HydrophobicContact CD1-CB 3.81Å; L303-L327 HydrophobicContact CD2-CB 4.2Å; L303-L327 HydrophobicContact CD2-CD1 4.29Å; L303-L327 HydrophobicContact CG-CB 4.38Å; L303-F331 HydrophobicContact CD1-CD1 4.39Å
304P92.6Very high90.8Very high3 Ų315.5 Ų15.52%0.0198%0.08CC..Hα-helixtrans-56.5-43.1174.2-23.128.9000114.2F18 Q44 I48 S302 V307 L308 Y324F18-P304 HydrophobicContact CB-CB 3.73Å; F18-P304 HydrophobicContact CB-CG 3.76Å; F18-P304 HydrophobicContact CD1-CB 3.95Å; F18-P304 HydrophobicContact CD1-CG 4.21Å; F18-P304 HydrophobicContact CD2-CB 3.2Å; F18-P304 HydrophobicContact CD2-CG 4.16Å; F18-P304 HydrophobicContact CE1-CB 4.37Å; F18-P304 HydrophobicContact CE2-CB 3.68Å; F18-P304 HydrophobicContact CG-CB 3.34Å; F18-P304 HydrophobicContact CG-CG 3.78Å; F18-P304 HydrophobicContact CZ-CB 4.25Å; Q44-P304 HydrophobicContact CG-CG 4.1Å; I48-P304 HydrophobicContact CD1-CB 3.8Å; I48-P304 HydrophobicContact CG1-CB 4.16Å; S302-P304 VanDerWaalsContact C-CD 3.5Å; P304-V307 PolarHBondContact O-N 2.9Å; P304-L308 PolarHBondContact O-N 3.26Å; P304-Y324 VanDerWaalsContact CG-OH 3.31Å; P304-Y324 WeakPolarHBondContact CG-OH 3.22Å
305S92.7Very high91Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-71.7-35.5-177.7-54.90000111.6S16 L123 S302 L303 L308 M309S16-S305 WeakPolarHBondContact CA-OG 3.46Å; S16-S305 VanDerWaalsContact CB-OG 3.31Å; S16-S305 WeakPolarHBondContact CB-OG 3.26Å; S16-S305 PolarHBondContact OG-OG 3.12Å; L123-S305 WeakPolarHBondContact CD2-O 3.4Å; S302-S305 WeakPolarHBondContact CB-OG 3.37Å; S302-S305 PolarHBondContact O-N 3.13Å; S302-S305 WeakPolarHBondContact OG-CB 3.47Å; S302-S305 PolarHBondContact OG-N 2.84Å; S302-S305 PolarHBondContact OG-OG 3.45Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 2.7Å; S305-L308 PolarHBondContact O-N 3.26Å; S305-M309 WeakPolarHBondContact O-CB 3.45Å; S305-M309 PolarHBondContact O-N 3.02Å
306I95.2Very high91.4Very high2 Ų214.9 Ų14.91%0.018%0.081CC..Hα-helixtrans-59.2-50.2171.1-69.4163000109.4I113 L123 T286 I289 V290 I301 S302 L303 L308 M309 L310I113-I306 HydrophobicContact CD1-CB 4.4Å; I113-I306 HydrophobicContact CD1-CG1 4.35Å; I113-I306 HydrophobicContact CD1-CG2 4.02Å; L123-I306 HydrophobicContact CD2-CG1 4.05Å; T286-I306 HydrophobicContact CG2-CG2 3.85Å; I289-I306 HydrophobicContact CB-CG2 4.4Å; I289-I306 HydrophobicContact CD1-CG2 4.09Å; I289-I306 HydrophobicContact CG2-CD1 3.84Å; I289-I306 HydrophobicContact CG2-CG1 4.14Å; I289-I306 HydrophobicContact CG2-CG2 4.15Å; V290-I306 HydrophobicContact CG2-CD1 3.89Å; I301-I306 HydrophobicContact CG2-CD1 4.21Å; S302-I306 WeakPolarHBondContact O-CG1 3.48Å; S302-I306 PolarHBondContact O-N 2.96Å; L303-I306 PolarHBondContact O-N 3.46Å; I306-L308 PolarHBondContact O-N 3.43Å; I306-M309 PolarHBondContact O-N 3.11Å; I306-L310 HydrophobicContact CG2-CD1 4.39Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 3.31Å
307V96.5Very high91.9Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-62.9-41.5179.5177.70000111.7I48 T286 L303 P304 M309 L310 R311 V318 Y324 L327I48-V307 HydrophobicContact CG2-CB 4.42Å; I48-V307 HydrophobicContact CG2-CG1 3.84Å; T286-V307 HydrophobicContact CG2-CG2 4.25Å; L303-V307 HydrophobicContact CD2-CG2 4.04Å; L303-V307 WeakPolarHBondContact O-CG2 3.49Å; L303-V307 PolarHBondContact O-N 2.89Å; P304-V307 PolarHBondContact O-N 2.9Å; V307-M309 VanDerWaalsContact C-N 3.34Å; V307-M309 PolarHBondContact O-N 2.96Å; V307-L310 PolarHBondContact O-N 3.42Å; V307-R311 WeakPolarHBondContact O-CB 3.18Å; V307-R311 WeakPolarHBondContact O-CG 3.49Å; V307-R311 PolarHBondContact O-N 2.94Å; V307-V318 HydrophobicContact CG1-CB 4.02Å; V307-V318 HydrophobicContact CG1-CG2 4.14Å; V307-V318 HydrophobicContact CG2-CG2 3.97Å; V307-Y324 HydrophobicContact CG2-CD2 4.3Å; V307-Y324 HydrophobicContact CG2-CE2 4.11Å; V307-L327 HydrophobicContact CG2-CD1 4.41Å
308L95.2Very high92.5Very high0 Ų011 Ų110%05%0.051CC..Hα-helixtrans-59.4-43.4173.7-81.3-178.3000112.5V14 F17 F18 I48 K51 L55 P304 S305 I306 R311 L312V14-L308 HydrophobicContact CG1-CB 4.02Å; V14-L308 HydrophobicContact CG1-CD1 4.21Å; F17-L308 HydrophobicContact CD2-CD1 3.89Å; F17-L308 HydrophobicContact CE2-CD1 4.41Å; F18-L308 HydrophobicContact CD2-CD1 4.29Å; F18-L308 HydrophobicContact CE2-CD1 3.63Å; F18-L308 HydrophobicContact CE2-CG 4.27Å; I48-L308 HydrophobicContact CB-CD2 4.43Å; I48-L308 HydrophobicContact CG2-CD2 3.86Å; I48-L308 HydrophobicContact CG2-CG 4.16Å; I48-L308 WeakPolarHBondContact O-CD2 3.4Å; K51-L308 HydrophobicContact CB-CD1 4.39Å; K51-L308 HydrophobicContact CB-CD2 3.9Å; L55-L308 HydrophobicContact CD1-CD2 4.3Å; P304-L308 PolarHBondContact O-N 3.26Å; S305-L308 PolarHBondContact O-N 3.26Å; I306-L308 PolarHBondContact O-N 3.43Å; L308-R311 CarbonylContact O-C 3.44Å; L308-R311 PolarHBondContact O-N 3.25Å; L308-L312 PolarHBondContact O-N 3.08Å
309M95.3Very high93.1Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-66.5-40.2178.3-176.5165.8-95.900111.8L12 V14 I113 L123 A125 S305 I306 V307 R311 L312 W313L12-M309 WeakPolarHBondContact O-CE 3.12Å; V14-M309 HydrophobicContact CB-CB 4.48Å; V14-M309 HydrophobicContact CB-CE 4.2Å; V14-M309 HydrophobicContact CG2-CB 3.92Å; V14-M309 HydrophobicContact CG2-CE 4.03Å; V14-M309 HydrophobicContact CG2-CG 4.32Å; I113-M309 HydrophobicContact CB-SD 4.44Å; I113-M309 HydrophobicContact CD1-CB 4.08Å; I113-M309 HydrophobicContact CD1-CG 3.97Å; I113-M309 HydrophobicContact CD1-SD 3.72Å; I113-M309 HydrophobicContact CG1-CG 4.35Å; I113-M309 HydrophobicContact CG1-SD 3.69Å; I113-M309 HydrophobicContact CG2-SD 4.15Å; L123-M309 HydrophobicContact CB-CE 4.44Å; L123-M309 HydrophobicContact CD2-CB 4.17Å; L123-M309 HydrophobicContact CD2-SD 3.95Å; L123-M309 HydrophobicContact CG-CE 4.4Å; L123-M309 HydrophobicContact CG-SD 4.08Å; L123-M309 WeakPolarHBondContact O-CE 3.36Å; A125-M309 HydrophobicContact CB-CE 4.26Å; A125-M309 HydrophobicContact CB-SD 3.93Å; S305-M309 WeakPolarHBondContact O-CB 3.45Å; S305-M309 PolarHBondContact O-N 3.02Å; I306-M309 PolarHBondContact O-N 3.11Å; V307-M309 VanDerWaalsContact C-N 3.34Å; V307-M309 PolarHBondContact O-N 2.96Å; M309-R311 VanDerWaalsContact C-N 3.3Å; M309-R311 PolarHBondContact O-N 2.61Å; M309-L312 WeakPolarHBondContact O-CB 3.28Å; M309-L312 PolarHBondContact O-N 3.21Å; M309-W313 HydrophobicContact CG-CE3 4.49Å; M309-W313 HydrophobicContact CG-CH2 3.64Å; M309-W313 HydrophobicContact CG-CZ2 3.74Å; M309-W313 HydrophobicContact CG-CZ3 4.03Å; M309-W313 PolarHBondContact O-N 3.26Å; M309-W313 HydrophobicContact SD-CH2 3.82Å; M309-W313 HydrophobicContact SD-CZ2 4.04Å
310L97.3Very high93.9Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-61.3-40.8171.4-64.9-177.3000111.7I110 I285 T286 I289 I306 V307 L312 W313 R314 M317I110-L310 HydrophobicContact CG2-CD2 3.5Å; I285-L310 HydrophobicContact CB-CD1 4.43Å; I285-L310 HydrophobicContact CG2-CD1 3.92Å; I285-L310 HydrophobicContact CG2-CD2 3.79Å; T286-L310 WeakPolarHBondContact OG1-CD1 3.44Å; I289-L310 HydrophobicContact CD1-CD2 4.15Å; I306-L310 HydrophobicContact CG2-CD1 4.39Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 3.31Å; V307-L310 PolarHBondContact O-N 3.42Å; L310-L312 VanDerWaalsContact C-N 3.27Å; L310-L312 PolarHBondContact O-N 2.85Å; L310-W313 HydrophobicContact CD2-CE3 4.19Å; L310-W313 HydrophobicContact CD2-CZ3 4.21Å; L310-W313 PolarHBondContact O-N 3.36Å; L310-W313 VanDerWaalsContact O-N 3.08Å; L310-R314 PolarHBondContact O-N 2.89Å; L310-M317 HydrophobicContact CB-CB 3.77Å; L310-M317 HydrophobicContact CB-CE 4.46Å; L310-M317 HydrophobicContact CB-CG 4.1Å; L310-M317 HydrophobicContact CD1-CE 4.46Å
311R96Very high94.4Very high10 Ų1011.4 Ų11.44%0.0386%0.057CC..Hα-helixtrans-65.8-24.2176.5-76.2-178.9170.4-118.31.4113.5H76 V307 L308 M309 R314 M317 V318H76-R311 PolarHBondContact CE1-O 3.29Å; V307-R311 WeakPolarHBondContact O-CB 3.18Å; V307-R311 WeakPolarHBondContact O-CG 3.49Å; V307-R311 PolarHBondContact O-N 2.94Å; L308-R311 CarbonylContact O-C 3.44Å; L308-R311 PolarHBondContact O-N 3.25Å; M309-R311 VanDerWaalsContact C-N 3.3Å; M309-R311 PolarHBondContact O-N 2.61Å; R311-R314 VanDerWaalsContact CA-O 3.31Å; R311-R314 WeakPolarHBondContact CA-O 3.01Å; R311-M317 HydrophobicContact CG-CB 4.07Å; R311-M317 WeakPolarHBondContact CG-O 3.49Å; R311-M317 PolarHBondContact NE-O 2.92Å; R311-V318 PolarHBondContact NH2-O 3.39Å
312L94.4Very high94.8Very high2 Ų216.4 Ų16.41%0.018%0.08CC..Hα-helixtrans-67.1-37.7168.8-74.9-175.9000112.3V14 L55 L61 H76 L308 M309 L310V14-L312 HydrophobicContact CG2-CD1 3.28Å; V14-L312 HydrophobicContact CG2-CG 4.1Å; L55-L312 HydrophobicContact CB-CD2 3.65Å; L55-L312 HydrophobicContact CD1-CD2 4.09Å; L55-L312 HydrophobicContact CD1-CG 4.43Å; L55-L312 HydrophobicContact CG-CD2 4.35Å; L61-L312 HydrophobicContact CD1-CD2 4.37Å; L61-L312 WeakPolarHBondContact CD1-O 3.48Å; H76-L312 PolarHBondContact CE1-O 3.27Å; H76-L312 PolarHBondContact ND1-O 3.15Å; L308-L312 PolarHBondContact O-N 3.08Å; M309-L312 WeakPolarHBondContact O-CB 3.28Å; M309-L312 PolarHBondContact O-N 3.21Å; L310-L312 VanDerWaalsContact C-N 3.27Å; L310-L312 PolarHBondContact O-N 2.85Å
313W95.8Very high95.1Very high0 Ų016.5 Ų16.50%08%0.08CC..Hα-helixtrans-90-28.2-175.3-60.5-31.3000113.7L11 T79 N108 I110 R111 I113 A125 M309 L310L11-W313 PolarHBondContact O-NE1 3.44Å; T79-W313 WeakPolarHBondContact CB-O 3.19Å; T79-W313 HydrophobicContact CG2-CB 4.12Å; T79-W313 HydrophobicContact CG2-CG 4.19Å; T79-W313 PolarHBondContact OG1-O 3.43Å; N108-W313 VanDerWaalsContact CB-O 3.26Å; N108-W313 WeakPolarHBondContact CB-O 3.25Å; N108-W313 VanDerWaalsContact CG-O 3.27Å; N108-W313 PolarHBondContact ND2-O 3.19Å; I110-W313 HydrophobicContact CB-CE3 4.31Å; I110-W313 HydrophobicContact CD1-CB 3.87Å; I110-W313 HydrophobicContact CD1-CE3 4.33Å; I110-W313 HydrophobicContact CG2-CE3 3.76Å; I110-W313 HydrophobicContact CG2-CZ3 3.87Å; R111-W313 HydrophobicContact CB-CH2 3.63Å; R111-W313 HydrophobicContact CB-CZ2 3.7Å; R111-W313 HydrophobicContact CB-CZ3 4.16Å; R111-W313 HydrophobicContact CG-CZ2 4.36Å; R111-W313 VanDerWaalsContact N-CZ3 3.32Å; R111-W313 VanDerWaalsContact O-CH2 3.28Å; R111-W313 WeakPolarHBondContact O-CH2 3.4Å; R111-W313 WeakPolarHBondContact O-CZ3 3.36Å; I113-W313 HydrophobicContact CD1-CZ3 4.44Å; I113-W313 HydrophobicContact CG1-CH2 3.89Å; I113-W313 HydrophobicContact CG1-CZ3 4.04Å; A125-W313 HydrophobicContact CB-CH2 3.43Å; A125-W313 VanDerWaalsContact CB-CH2 3.43Å; A125-W313 HydrophobicContact CB-CZ2 3.4Å; A125-W313 VanDerWaalsContact CB-CZ2 3.4Å; M309-W313 HydrophobicContact CG-CE3 4.49Å; M309-W313 HydrophobicContact CG-CH2 3.64Å; M309-W313 HydrophobicContact CG-CZ2 3.74Å; M309-W313 HydrophobicContact CG-CZ3 4.03Å; M309-W313 PolarHBondContact O-N 3.26Å; M309-W313 HydrophobicContact SD-CH2 3.82Å; M309-W313 HydrophobicContact SD-CZ2 4.04Å; L310-W313 HydrophobicContact CD2-CE3 4.19Å; L310-W313 HydrophobicContact CD2-CZ3 4.21Å; L310-W313 PolarHBondContact O-N 3.36Å; L310-W313 VanDerWaalsContact O-N 3.08Å
314R96.3Very high95.3Very high2 Ų216.5 Ų16.51%0.0088%0.08CC..SBendtrans-144.4135.8172.7-175.8166.6179.982.4-1.1109.8N106 N108 I110 A133 A276 G277 V278 L310 R311 M317N106-R314 PolarHBondContact OD1-NH1 3.33Å; N106-R314 PolarHBondContact OD1-NH2 3.01Å; N106-R314 VanDerWaalsContact OD1-NH2 3.08Å; N108-R314 HydrophobicContact CB-CB 4.07Å; N108-R314 HydrophobicContact CB-CG 4.43Å; N108-R314 WeakPolarHBondContact OD1-CG 3.3Å; N108-R314 PolarHBondContact OD1-NH1 2.9Å; I110-R314 HydrophobicContact CD1-CB 4.16Å; A133-R314 PolarHBondContact O-NH1 3.27Å; A276-R314 PolarHBondContact O-NH2 2.99Å; G277-R314 WeakPolarHBondContact O-CD 3.44Å; G277-R314 PolarHBondContact O-NE 3.43Å; V278-R314 HydrophobicContact CG1-CG 4.34Å; L310-R314 PolarHBondContact O-N 2.89Å; R311-R314 VanDerWaalsContact CA-O 3.31Å; R311-R314 WeakPolarHBondContact CA-O 3.01Å; R314-M317 HydrophobicContact CB-CG 3.78Å; R314-M317 HydrophobicContact CB-SD 3.96Å; R314-M317 HydrophobicContact CG-CG 4.28Å; R314-M317 HydrophobicContact CG-SD 4.04Å; R314-M317 WeakPolarHBondContact O-CG 3.48Å
315Y93.3Very high95.3Very high71 Ų7117.6 Ų17.628%0.2789%0.086SC..THydrogen-bonded Turntrans-55.4140.7-178.3-170-113.5000112.3E56 Y63 Y73 H76 V278 M317E56-Y315 WeakPolarHBondContact OE1-CE2 3.31Å; Y63-Y315 HydrophobicContact CE1-CD2 4.16Å; Y63-Y315 HydrophobicContact CE1-CG 4.28Å; Y63-Y315 WeakPolarHBondContact OH-CD2 3.32Å; Y63-Y315 WeakPolarHBondContact OH-CE2 3.25Å; Y73-Y315 AromaticContact CD1-CD1 3.69Å; Y73-Y315 HydrophobicContact CD1-CD1 3.69Å; Y73-Y315 AromaticContact CD1-CE1 3.81Å; Y73-Y315 HydrophobicContact CD1-CE1 3.81Å; Y73-Y315 HydrophobicContact CE1-CD1 4.45Å; Y73-Y315 HydrophobicContact CE1-CE1 4.27Å; Y73-Y315 HydrophobicContact CG-CD1 4.31Å; H76-Y315 AromaticContact NE2-CD2 3.96Å; V278-Y315 WeakPolarHBondContact CG1-O 3.39Å; Y315-M317 PolarHBondContact O-N 3.19Å
316C94.3Very high95.4Very high21 Ų2117.7 Ų17.714%0.1429%0.086CC..THydrogen-bonded Turntrans53.625171.3-78.20000117.6V278 V318 E319V278-C316 HydrophobicContact CG2-CB 4.49Å; C316-V318 CarbonylContact O-C 3.5Å; C316-V318 PolarHBondContact O-N 3.04Å; C316-E319 WeakPolarHBondContact O-CA 3.33Å; C316-E319 PolarHBondContact O-N 3.35Å
317M97.8Very high95.4Very high0 Ų017.8 Ų17.80%09%0.087CC..SBendtrans-54.2131.4173.9-67.9-68.8-82.900111.4I110 A133 T281 I285 L310 R311 R314 Y315I110-M317 HydrophobicContact CD1-CE 4.22Å; A133-M317 HydrophobicContact CB-CE 4.13Å; A133-M317 HydrophobicContact CB-SD 4.44Å; T281-M317 HydrophobicContact CG2-CE 4.23Å; I285-M317 HydrophobicContact CD1-CE 3.98Å; L310-M317 HydrophobicContact CB-CB 3.77Å; L310-M317 HydrophobicContact CB-CE 4.46Å; L310-M317 HydrophobicContact CB-CG 4.1Å; L310-M317 HydrophobicContact CD1-CE 4.46Å; R311-M317 HydrophobicContact CG-CB 4.07Å; R311-M317 WeakPolarHBondContact CG-O 3.49Å; R311-M317 PolarHBondContact NE-O 2.92Å; R314-M317 HydrophobicContact CB-CG 3.78Å; R314-M317 HydrophobicContact CB-SD 3.96Å; R314-M317 HydrophobicContact CG-CG 4.28Å; R314-M317 HydrophobicContact CG-SD 4.04Å; R314-M317 WeakPolarHBondContact O-CG 3.48Å; Y315-M317 PolarHBondContact O-N 3.19Å
318V97Very high95.2Very high0 Ų018 Ų180%09%0.088CC..SBendtrans57.688.4-163.5-1720000109.5F45 V278 V307 R311 C316 Q323 Y324 L327F45-V318 HydrophobicContact CE2-CG1 4.14Å; F45-V318 WeakPolarHBondContact CE2-O 3.29Å; F45-V318 VanDerWaalsContact CZ-O 3.26Å; F45-V318 WeakPolarHBondContact CZ-O 3.48Å; V278-V318 PolarHBondContact O-N 2.87Å; V307-V318 HydrophobicContact CG1-CB 4.02Å; V307-V318 HydrophobicContact CG1-CG2 4.14Å; V307-V318 HydrophobicContact CG2-CG2 3.97Å; R311-V318 PolarHBondContact NH2-O 3.39Å; C316-V318 CarbonylContact O-C 3.5Å; C316-V318 PolarHBondContact O-N 3.04Å; V318-Q323 HydrophobicContact CG1-CB 3.95Å; V318-Y324 HydrophobicContact CG1-CD2 4.38Å; V318-L327 HydrophobicContact CG1-CD1 4.01Å; V318-L327 HydrophobicContact CG2-CD1 3.82Å
319E95.5Very high95Very high50 Ų5021.6 Ų21.623%0.23411%0.105CC..  trans-83.2-40.3-163.2-175.1-172.1163.600112Y73 V278 C316Y73-E319 PolarHBondContact OH-OE1 2.87Å; V278-E319 HydrophobicContact CG2-CB 4.38Å; V278-E319 HydrophobicContact CG2-CG 4.49Å; C316-E319 WeakPolarHBondContact O-CA 3.33Å; C316-E319 PolarHBondContact O-N 3.35Å
320L95.3Very high94.9Very high36 Ų3621.7 Ų21.719%0.18811%0.105CC..SBendtrans-105.9150.4-171.7-56.8179.4000112.1F235 E322 Q323 Y324F235-L320 HydrophobicContact CB-CD1 4.07Å; F235-L320 HydrophobicContact CD1-CD1 4.24Å; L320-E322 PolarHBondContact O-N 2.98Å; L320-Q323 HydrophobicContact CB-CB 4.37Å; L320-Q323 HydrophobicContact CB-CG 4.07Å; L320-Q323 VanDerWaalsContact N-OE1 3.15Å; L320-Q323 WeakPolarHBondContact O-CB 3.38Å; L320-Q323 PolarHBondContact O-N 2.97Å; L320-Q323 VanDerWaalsContact O-N 3.16Å; L320-Y324 PolarHBondContact O-N 2.98Å; L320-Y324 VanDerWaalsContact O-N 3.14Å
321T94.9Very high94.6Very high39 Ų3921.7 Ų21.724%0.23911%0.105CC..Hα-helixtrans-58.2-41.2173.3-570000110.9V42 F45 Q323 Y324 L325V42-T321 HydrophobicContact CB-CG2 4.24Å; V42-T321 HydrophobicContact CG1-CG2 4.11Å; V42-T321 HydrophobicContact CG2-CG2 3.68Å; F45-T321 HydrophobicContact CD1-CG2 4.39Å; F45-T321 WeakPolarHBondContact CD1-OG1 3.43Å; T321-Q323 VanDerWaalsContact C-N 3.3Å; T321-Q323 PolarHBondContact O-N 3.32Å; T321-Y324 WeakPolarHBondContact O-CB 3.26Å; T321-Y324 PolarHBondContact O-N 3.27Å; T321-Y324 VanDerWaalsContact O-N 3.09Å; T321-L325 HydrophobicContact CG2-CD1 4.26Å; T321-L325 HydrophobicContact CG2-CG 4.35Å; T321-L325 WeakPolarHBondContact O-CG 3.5Å; T321-L325 PolarHBondContact O-N 3.33Å
322E94.4Very high94.3Very high106 Ų10621.4 Ų21.450%0.49511%0.105SC..Hα-helixtrans-60.2-40.9178.4-65.672.5-162.100111.3V237 L320 Y324 L325 F326V237-E322 HydrophobicContact CG1-CB 4.08Å; V237-E322 WeakPolarHBondContact CG1-O 3.47Å; L320-E322 PolarHBondContact O-N 2.98Å; E322-Y324 VanDerWaalsContact C-N 3.32Å; E322-Y324 PolarHBondContact O-N 3.27Å; E322-L325 PolarHBondContact O-N 3.3Å; E322-F326 VanDerWaalsContact O-CB 3.29Å; E322-F326 WeakPolarHBondContact O-CB 3.27Å; E322-F326 PolarHBondContact O-N 2.92Å
323Q96.1Very high94Very high4 Ų424.1 Ų24.12%0.01912%0.115CC..Hα-helixtrans-64.5-38.6175.7-71.6166.22.600111.6V237 T283 V318 L320 T321 L327V237-Q323 HydrophobicContact CG1-CG 4.23Å; T283-Q323 WeakPolarHBondContact OG1-CB 3.48Å; V318-Q323 HydrophobicContact CG1-CB 3.95Å; L320-Q323 HydrophobicContact CB-CB 4.37Å; L320-Q323 HydrophobicContact CB-CG 4.07Å; L320-Q323 VanDerWaalsContact N-OE1 3.15Å; L320-Q323 WeakPolarHBondContact O-CB 3.38Å; L320-Q323 PolarHBondContact O-N 2.97Å; L320-Q323 VanDerWaalsContact O-N 3.16Å; T321-Q323 VanDerWaalsContact C-N 3.3Å; T321-Q323 PolarHBondContact O-N 3.32Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.85Å; Q323-L327 VanDerWaalsContact O-N 3.1Å
324Y95.4Very high93.8Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-67.4-46.3175.8-172-99.6000112Q44 F45 I48 L303 P304 V307 V318 L320 T321 E322 F326 L327 H328Q44-Y324 VanDerWaalsContact CD-OH 3.29Å; Q44-Y324 HydrophobicContact CG-CE1 4.35Å; Q44-Y324 PolarHBondContact OE1-OH 3.43Å; F45-Y324 HydrophobicContact CB-CD1 3.7Å; F45-Y324 HydrophobicContact CB-CE1 4.2Å; F45-Y324 HydrophobicContact CB-CG 3.96Å; F45-Y324 VanDerWaalsContact CD2-CB 3.48Å; F45-Y324 HydrophobicContact CD2-CD1 4.05Å; F45-Y324 AromaticContact CD2-CD2 3.53Å; F45-Y324 HydrophobicContact CD2-CD2 3.53Å; F45-Y324 HydrophobicContact CD2-CE2 4.27Å; F45-Y324 AromaticContact CD2-CG 3.4Å; F45-Y324 HydrophobicContact CD2-CG 3.4Å; F45-Y324 HydrophobicContact CE2-CD2 4.1Å; F45-Y324 HydrophobicContact CE2-CG 4.14Å; F45-Y324 HydrophobicContact CG-CD1 4.16Å; F45-Y324 HydrophobicContact CG-CD2 4.43Å; F45-Y324 AromaticContact CG-CG 3.89Å; F45-Y324 HydrophobicContact CG-CG 3.89Å; I48-Y324 HydrophobicContact CD1-CD2 4.18Å; I48-Y324 HydrophobicContact CD1-CE1 4.43Å; I48-Y324 HydrophobicContact CD1-CE2 3.32Å; I48-Y324 VanDerWaalsContact CD1-CZ 3.49Å; I48-Y324 WeakPolarHBondContact CD1-OH 3.49Å; L303-Y324 HydrophobicContact CD2-CD2 3.91Å; L303-Y324 HydrophobicContact CD2-CE2 3.22Å; P304-Y324 VanDerWaalsContact CG-OH 3.31Å; P304-Y324 WeakPolarHBondContact CG-OH 3.22Å; V307-Y324 HydrophobicContact CG2-CD2 4.3Å; V307-Y324 HydrophobicContact CG2-CE2 4.11Å; V318-Y324 HydrophobicContact CG1-CD2 4.38Å; L320-Y324 PolarHBondContact O-N 2.98Å; L320-Y324 VanDerWaalsContact O-N 3.14Å; T321-Y324 WeakPolarHBondContact O-CB 3.26Å; T321-Y324 PolarHBondContact O-N 3.27Å; T321-Y324 VanDerWaalsContact O-N 3.09Å; E322-Y324 VanDerWaalsContact C-N 3.32Å; E322-Y324 PolarHBondContact O-N 3.27Å; Y324-F326 VanDerWaalsContact C-N 3.29Å; Y324-F326 PolarHBondContact O-N 3.11Å; Y324-L327 WeakPolarHBondContact O-CB 3.08Å; Y324-L327 PolarHBondContact O-N 3.31Å; Y324-L327 VanDerWaalsContact O-N 3.11Å; Y324-H328 AromaticContact CE1-CD2 3.67Å; Y324-H328 AromaticContact CE1-NE2 3.28Å; Y324-H328 VanDerWaalsContact CE1-NE2 3.28Å; Y324-H328 WeakPolarHBondContact CE1-NE2 3.47Å; Y324-H328 AromaticContact CZ-CD2 3.96Å; Y324-H328 AromaticContact CZ-NE2 3.32Å; Y324-H328 VanDerWaalsContact CZ-NE2 3.32Å; Y324-H328 PolarHBondContact O-CD2 2.87Å; Y324-H328 PolarHBondContact O-N 2.69Å; Y324-H328 PolarHBondContact OH-NE2 2.86Å
325L93.2Very high93.3Very high26 Ų2624 Ų2414%0.13612%0.115CC..Hα-helixtrans-58.7-43.1174.2-65.6178000111.3L41 V42 T321 E322 L327 H328 E329L41-L325 HydrophobicContact CB-CD2 3.39Å; L41-L325 HydrophobicContact CD1-CD2 3.93Å; L41-L325 HydrophobicContact CG-CD2 4.31Å; V42-L325 HydrophobicContact CG2-CD1 4.42Å; T321-L325 HydrophobicContact CG2-CD1 4.26Å; T321-L325 HydrophobicContact CG2-CG 4.35Å; T321-L325 WeakPolarHBondContact O-CG 3.5Å; T321-L325 PolarHBondContact O-N 3.33Å; E322-L325 PolarHBondContact O-N 3.3Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.49Å; L325-H328 WeakPolarHBondContact O-CB 3.41Å; L325-H328 PolarHBondContact O-N 3.4Å; L325-H328 VanDerWaalsContact O-N 3.08Å; L325-E329 PolarHBondContact O-N 3.02Å
326F94.3Very high92.8Very high3 Ų322.7 Ų22.71%0.01312%0.116CC..Hα-helixtrans-59.1-37.6175.3172.2-92.9000112.6V237 P238 I240 M243 T283 E322 Y324 H328 E329 Y330V237-F326 HydrophobicContact CB-CB 3.97Å; V237-F326 HydrophobicContact CB-CD2 3.96Å; V237-F326 HydrophobicContact CB-CG 3.97Å; V237-F326 HydrophobicContact CG1-CB 3.75Å; V237-F326 HydrophobicContact CG1-CG 4.21Å; V237-F326 HydrophobicContact CG2-CB 4.4Å; V237-F326 HydrophobicContact CG2-CD2 4.21Å; P238-F326 HydrophobicContact CG-CE1 4.12Å; P238-F326 HydrophobicContact CG-CE2 4.13Å; P238-F326 HydrophobicContact CG-CZ 3.71Å; P238-F326 WeakPolarHBondContact O-CE2 3.38Å; I240-F326 HydrophobicContact CG1-CE2 3.95Å; M243-F326 HydrophobicContact CB-CE1 4.33Å; M243-F326 HydrophobicContact CB-CZ 3.73Å; M243-F326 HydrophobicContact CE-CE1 3.67Å; M243-F326 HydrophobicContact CE-CZ 4.25Å; M243-F326 HydrophobicContact CG-CE1 4.06Å; M243-F326 HydrophobicContact CG-CZ 3.94Å; T283-F326 HydrophobicContact CG2-CD1 3.89Å; T283-F326 HydrophobicContact CG2-CE1 4.26Å; E322-F326 VanDerWaalsContact O-CB 3.29Å; E322-F326 WeakPolarHBondContact O-CB 3.27Å; E322-F326 PolarHBondContact O-N 2.92Å; Y324-F326 VanDerWaalsContact C-N 3.29Å; Y324-F326 PolarHBondContact O-N 3.11Å; F326-H328 VanDerWaalsContact C-N 3.29Å; F326-H328 PolarHBondContact O-N 2.91Å; F326-E329 PolarHBondContact O-N 3.34Å; F326-Y330 WeakPolarHBondContact O-CB 3.36Å; F326-Y330 PolarHBondContact O-N 2.97Å
327L94.9Very high92.2Very high4 Ų426.1 Ų26.12%0.02113%0.13CC..Hα-helixtrans-62.8-36.7175.6-72.1167.1000112.3T283 T286 A287 L303 V307 V318 Q323 Y324 L325 F331T283-L327 HydrophobicContact CG2-CD2 3.83Å; T283-L327 HydrophobicContact CG2-CG 3.99Å; T283-L327 WeakPolarHBondContact O-CD2 3.39Å; T286-L327 HydrophobicContact CG2-CD1 3.76Å; T286-L327 HydrophobicContact CG2-CD2 3.91Å; T286-L327 HydrophobicContact CG2-CG 4.39Å; A287-L327 HydrophobicContact CB-CD2 4.25Å; L303-L327 HydrophobicContact CD1-CB 3.81Å; L303-L327 HydrophobicContact CD2-CB 4.2Å; L303-L327 HydrophobicContact CD2-CD1 4.29Å; L303-L327 HydrophobicContact CG-CB 4.38Å; V307-L327 HydrophobicContact CG2-CD1 4.41Å; V318-L327 HydrophobicContact CG1-CD1 4.01Å; V318-L327 HydrophobicContact CG2-CD1 3.82Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.85Å; Q323-L327 VanDerWaalsContact O-N 3.1Å; Y324-L327 WeakPolarHBondContact O-CB 3.08Å; Y324-L327 PolarHBondContact O-N 3.31Å; Y324-L327 VanDerWaalsContact O-N 3.11Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.49Å; L327-F331 VanDerWaalsContact O-CB 3.23Å; L327-F331 WeakPolarHBondContact O-CB 3.49Å; L327-F331 PolarHBondContact O-N 2.74Å
328H92.4Very high91.3Very high4 Ų427.4 Ų27.42%0.01914%0.136CC..Hα-helixtrans-66.9-43.2173.8-79.1-107.3000111.4Y29 L41 Q44 Y324 L325 F326 F331 A332Y29-H328 AromaticContact CE2-ND1 3.63Å; Y29-H328 AromaticContact CZ-ND1 3.57Å; Y29-H328 VanDerWaalsContact OH-CG 3.31Å; Y29-H328 PolarHBondContact OH-ND1 2.82Å; L41-H328 HydrophobicContact CD1-CB 3.97Å; L41-H328 WeakPolarHBondContact CD2-CE1 3.09Å; L41-H328 WeakPolarHBondContact CD2-ND1 3.22Å; Q44-H328 PolarHBondContact OE1-CE1 3.26Å; Q44-H328 PolarHBondContact OE1-NE2 2.71Å; Y324-H328 AromaticContact CE1-CD2 3.67Å; Y324-H328 AromaticContact CE1-NE2 3.28Å; Y324-H328 VanDerWaalsContact CE1-NE2 3.28Å; Y324-H328 WeakPolarHBondContact CE1-NE2 3.47Å; Y324-H328 AromaticContact CZ-CD2 3.96Å; Y324-H328 AromaticContact CZ-NE2 3.32Å; Y324-H328 VanDerWaalsContact CZ-NE2 3.32Å; Y324-H328 PolarHBondContact O-CD2 2.87Å; Y324-H328 PolarHBondContact O-N 2.69Å; Y324-H328 PolarHBondContact OH-NE2 2.86Å; L325-H328 WeakPolarHBondContact O-CB 3.41Å; L325-H328 PolarHBondContact O-N 3.4Å; L325-H328 VanDerWaalsContact O-N 3.08Å; F326-H328 VanDerWaalsContact C-N 3.29Å; F326-H328 PolarHBondContact O-N 2.91Å; H328-F331 PolarHBondContact O-N 2.69Å; H328-A332 WeakPolarHBondContact O-CB 3.47Å; H328-A332 PolarHBondContact O-N 3.19Å
329E90.9Very high90.1Very high76 Ų7637.6 Ų37.636%0.35517%0.174SC..Hα-helixtrans-63.6-43.3175.9-66178.9178.300111.9K38 I240 L325 F326 A332 Y333K38-E329 IonicContact NZ-OE1 3.26Å; I240-E329 HydrophobicContact CD1-CB 4.01Å; L325-E329 PolarHBondContact O-N 3.02Å; F326-E329 PolarHBondContact O-N 3.34Å; E329-A332 WeakPolarHBondContact O-CB 3.48Å; E329-A332 PolarHBondContact O-N 3.42Å; E329-Y333 PolarHBondContact O-N 3.34Å
330Y93.2Very high88.8Confident1 Ų138.5 Ų38.50%0.00418%0.176CC..Hα-helixtrans-63.9-41.2174.4-179.2-99.8000111.6I240 M243 D244 V247 A287 F326 Y333 I334I240-Y330 HydrophobicContact CG2-CD2 4.26Å; M243-Y330 HydrophobicContact CB-CD2 4.24Å; M243-Y330 HydrophobicContact CB-CE2 4.19Å; M243-Y330 HydrophobicContact CG-CD2 3.83Å; M243-Y330 HydrophobicContact CG-CE2 3.69Å; M243-Y330 HydrophobicContact CG-CG 4.5Å; D244-Y330 HydrophobicContact CB-CE2 4.03Å; V247-Y330 WeakPolarHBondContact CG1-OH 3.48Å; A287-Y330 HydrophobicContact CB-CD1 3.87Å; A287-Y330 HydrophobicContact CB-CE1 3.64Å; F326-Y330 WeakPolarHBondContact O-CB 3.36Å; F326-Y330 PolarHBondContact O-N 2.97Å; Y330-Y333 WeakPolarHBondContact O-CB 3.2Å; Y330-Y333 PolarHBondContact O-N 2.82Å; Y330-I334 HydrophobicContact CD1-CD1 4.3Å; Y330-I334 HydrophobicContact CD1-CG2 4.28Å; Y330-I334 HydrophobicContact CE1-CD1 4.04Å; Y330-I334 HydrophobicContact CE1-CG2 3.75Å; Y330-I334 HydrophobicContact CE2-CG2 4.06Å; Y330-I334 WeakPolarHBondContact O-CG1 2.81Å; Y330-I334 PolarHBondContact O-N 3.05Å
331F91.4Very high87.5Confident0 Ų036.8 Ų36.80%017%0.167CC..Hα-helixtrans-62.5-46.4176.2-176.3-163.2000111.4I21 F26 Y29 V290 L294 I301 L303 L327 H328 Y333 I334 L335I21-F331 HydrophobicContact CD1-CD1 4.33Å; I21-F331 HydrophobicContact CD1-CE1 3.71Å; F26-F331 HydrophobicContact CE1-CZ 4.26Å; Y29-F331 HydrophobicContact CD1-CD1 4.42Å; Y29-F331 HydrophobicContact CD1-CE1 4.38Å; Y29-F331 HydrophobicContact CE1-CB 4.4Å; Y29-F331 AromaticContact CE1-CD1 3.44Å; Y29-F331 HydrophobicContact CE1-CD1 3.44Å; Y29-F331 VanDerWaalsContact CE1-CD1 3.44Å; Y29-F331 AromaticContact CE1-CE1 3.78Å; Y29-F331 HydrophobicContact CE1-CE1 3.78Å; Y29-F331 AromaticContact CE1-CG 3.98Å; Y29-F331 HydrophobicContact CE1-CG 3.98Å; Y29-F331 AromaticContact CZ-CD1 3.64Å; Y29-F331 VanDerWaalsContact OH-CD1 3.31Å; Y29-F331 WeakPolarHBondContact OH-CD1 3.39Å; V290-F331 HydrophobicContact CG1-CB 4.35Å; V290-F331 HydrophobicContact CG1-CD1 4.31Å; V290-F331 HydrophobicContact CG1-CD2 3.55Å; V290-F331 HydrophobicContact CG1-CE2 3.93Å; V290-F331 HydrophobicContact CG1-CG 3.82Å; V290-F331 HydrophobicContact CG1-CZ 4.45Å; L294-F331 HydrophobicContact CD1-CD2 3.84Å; L294-F331 HydrophobicContact CD1-CE2 3.53Å; L294-F331 HydrophobicContact CD2-CE2 3.76Å; L294-F331 HydrophobicContact CD2-CZ 4.29Å; L294-F331 HydrophobicContact CG-CE2 3.98Å; I301-F331 HydrophobicContact CB-CE1 4.31Å; I301-F331 HydrophobicContact CB-CZ 4.1Å; I301-F331 HydrophobicContact CD1-CE2 4.15Å; I301-F331 HydrophobicContact CD1-CZ 3.94Å; I301-F331 HydrophobicContact CG1-CZ 4.45Å; I301-F331 HydrophobicContact CG2-CE1 4.16Å; I301-F331 HydrophobicContact CG2-CZ 4.27Å; L303-F331 HydrophobicContact CD1-CD1 4.39Å; L327-F331 VanDerWaalsContact O-CB 3.23Å; L327-F331 WeakPolarHBondContact O-CB 3.49Å; L327-F331 PolarHBondContact O-N 2.74Å; H328-F331 PolarHBondContact O-N 2.69Å; F331-Y333 VanDerWaalsContact C-N 3.29Å; F331-Y333 PolarHBondContact O-N 2.92Å; F331-I334 HydrophobicContact CD2-CD1 4.02Å; F331-I334 HydrophobicContact CD2-CG1 4.01Å; F331-I334 WeakPolarHBondContact O-CG1 3.22Å; F331-I334 PolarHBondContact O-N 3.21Å; F331-L335 HydrophobicContact CD2-CD1 3.95Å; F331-L335 HydrophobicContact CD2-CD2 4.43Å; F331-L335 HydrophobicContact CD2-CG 3.77Å; F331-L335 HydrophobicContact CE2-CD1 3.59Å; F331-L335 HydrophobicContact CE2-CD2 3.64Å; F331-L335 HydrophobicContact CE2-CG 3.43Å; F331-L335 VanDerWaalsContact CE2-CG 3.43Å; F331-L335 HydrophobicContact CZ-CD1 3.97Å; F331-L335 HydrophobicContact CZ-CD2 4.3Å; F331-L335 HydrophobicContact CZ-CG 4.25Å; F331-L335 WeakPolarHBondContact O-CG 3.27Å; F331-L335 PolarHBondContact O-N 2.84Å
332A88.5Confident86.1Confident5 Ų538.6 Ų38.64%0.04117%0.173CC..Hα-helixtrans-55-45172.100000111.9L30 C33 H328 E329 L335 S336L30-A332 HydrophobicContact CD1-CB 3.71Å; L30-A332 WeakPolarHBondContact CD1-O 3.3Å; C33-A332 HydrophobicContact CB-CB 4.28Å; H328-A332 WeakPolarHBondContact O-CB 3.47Å; H328-A332 PolarHBondContact O-N 3.19Å; E329-A332 WeakPolarHBondContact O-CB 3.48Å; E329-A332 PolarHBondContact O-N 3.42Å; A332-L335 PolarHBondContact O-N 3.31Å; A332-S336 PolarHBondContact O-N 3.29Å
333Y90Very high84.9Confident58 Ų5836.2 Ų36.223%0.22717%0.168CC..Hα-helixtrans-60.7-51.8176.5169.3-95.7000112.4I240 D244 E329 Y330 F331 L335 S336 Q337I240-Y333 HydrophobicContact CG2-CD1 3.44Å; I240-Y333 VanDerWaalsContact CG2-CD1 3.44Å; I240-Y333 HydrophobicContact CG2-CD2 3.64Å; I240-Y333 HydrophobicContact CG2-CE1 3.98Å; I240-Y333 HydrophobicContact CG2-CE2 4.14Å; I240-Y333 HydrophobicContact CG2-CG 3.24Å; D244-Y333 HydrophobicContact CB-CE1 3.7Å; D244-Y333 VanDerWaalsContact CG-CE1 3.48Å; D244-Y333 PolarHBondContact OD2-OH 2.98Å; E329-Y333 PolarHBondContact O-N 3.34Å; Y330-Y333 WeakPolarHBondContact O-CB 3.2Å; Y330-Y333 PolarHBondContact O-N 2.82Å; F331-Y333 VanDerWaalsContact C-N 3.29Å; F331-Y333 PolarHBondContact O-N 2.92Å; Y333-L335 VanDerWaalsContact C-N 3.31Å; Y333-L335 PolarHBondContact O-N 2.96Å; Y333-S336 WeakPolarHBondContact O-CB 3.11Å; Y333-S336 PolarHBondContact O-N 3.13Å; Y333-S336 PolarHBondContact O-OG 3.38Å; Y333-Q337 HydrophobicContact CD1-CG 4.44Å; Y333-Q337 HydrophobicContact CD2-CG 4.44Å; Y333-Q337 HydrophobicContact CE1-CG 4.03Å; Y333-Q337 HydrophobicContact CE2-CG 4.06Å; Y333-Q337 WeakPolarHBondContact O-CG 3.36Å; Y333-Q337 PolarHBondContact O-N 3.49Å
334I90Very high83.5Confident0 Ų039.3 Ų39.30%018%0.181CC..Hα-helixtrans-65.2-33-178.861.8-176.4000112.4V290 R291 L294 Y330 F331 S336 Q337 E338V290-I334 HydrophobicContact CG1-CD1 3.8Å; R291-I334 HydrophobicContact CB-CD1 4.31Å; L294-I334 HydrophobicContact CD1-CB 4.46Å; L294-I334 HydrophobicContact CD1-CD1 3.45Å; L294-I334 VanDerWaalsContact CD1-CD1 3.45Å; L294-I334 HydrophobicContact CD1-CG1 3.56Å; Y330-I334 HydrophobicContact CD1-CD1 4.3Å; Y330-I334 HydrophobicContact CD1-CG2 4.28Å; Y330-I334 HydrophobicContact CE1-CD1 4.04Å; Y330-I334 HydrophobicContact CE1-CG2 3.75Å; Y330-I334 HydrophobicContact CE2-CG2 4.06Å; Y330-I334 WeakPolarHBondContact O-CG1 2.81Å; Y330-I334 PolarHBondContact O-N 3.05Å; F331-I334 HydrophobicContact CD2-CD1 4.02Å; F331-I334 HydrophobicContact CD2-CG1 4.01Å; F331-I334 WeakPolarHBondContact O-CG1 3.22Å; F331-I334 PolarHBondContact O-N 3.21Å; I334-S336 PolarHBondContact O-N 2.72Å; I334-Q337 PolarHBondContact O-N 3.22Å; I334-E338 WeakPolarHBondContact O-CG 3.37Å; I334-E338 PolarHBondContact O-N 2.82Å
335L86.6Confident81.9Confident0 Ų040.7 Ų40.70%019%0.189CC..Hα-helixtrans-57.5-37.4171.9-77.7173.4000111.9F26 Y29 L294 F331 A332 Y333 Q337 C341 I345F26-L335 HydrophobicContact CB-CD1 4.24Å; F26-L335 HydrophobicContact CB-CD2 4.13Å; F26-L335 HydrophobicContact CD1-CD1 4.47Å; F26-L335 HydrophobicContact CD1-CD2 4.23Å; F26-L335 HydrophobicContact CD2-CD2 3.37Å; F26-L335 HydrophobicContact CE1-CD2 4.5Å; F26-L335 HydrophobicContact CE2-CD2 3.69Å; F26-L335 HydrophobicContact CG-CD1 4.28Å; F26-L335 HydrophobicContact CG-CD2 3.67Å; F26-L335 HydrophobicContact CZ-CD2 4.25Å; Y29-L335 HydrophobicContact CD1-CD1 3.85Å; Y29-L335 HydrophobicContact CE1-CD1 4.26Å; L294-L335 HydrophobicContact CD1-CD2 4.15Å; L294-L335 HydrophobicContact CD1-CG 4.46Å; L294-L335 HydrophobicContact CD2-CD2 3.77Å; F331-L335 HydrophobicContact CD2-CD1 3.95Å; F331-L335 HydrophobicContact CD2-CD2 4.43Å; F331-L335 HydrophobicContact CD2-CG 3.77Å; F331-L335 HydrophobicContact CE2-CD1 3.59Å; F331-L335 HydrophobicContact CE2-CD2 3.64Å; F331-L335 HydrophobicContact CE2-CG 3.43Å; F331-L335 VanDerWaalsContact CE2-CG 3.43Å; F331-L335 HydrophobicContact CZ-CD1 3.97Å; F331-L335 HydrophobicContact CZ-CD2 4.3Å; F331-L335 HydrophobicContact CZ-CG 4.25Å; F331-L335 WeakPolarHBondContact O-CG 3.27Å; F331-L335 PolarHBondContact O-N 2.84Å; A332-L335 PolarHBondContact O-N 3.31Å; Y333-L335 VanDerWaalsContact C-N 3.31Å; Y333-L335 PolarHBondContact O-N 2.96Å; L335-Q337 VanDerWaalsContact C-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.08Å; L335-C341 HydrophobicContact CD2-CB 3.99Å; L335-C341 VanDerWaalsContact O-CB 3.26Å; L335-C341 WeakPolarHBondContact O-CB 3.43Å; L335-I345 HydrophobicContact CB-CD1 4.43Å; L335-I345 WeakPolarHBondContact O-CD1 3.01Å
336S82.6Confident80.4Confident43 Ų4347.3 Ų47.330%0.30122%0.219SC..Hα-helixtrans-72.1-21.617780.10000113.7A332 Y333 I334 Q342A332-S336 PolarHBondContact O-N 3.29Å; Y333-S336 WeakPolarHBondContact O-CB 3.11Å; Y333-S336 PolarHBondContact O-N 3.13Å; Y333-S336 PolarHBondContact O-OG 3.38Å; I334-S336 PolarHBondContact O-N 2.72Å; S336-Q342 PolarHBondContact O-NE2 2.81Å
337Q82.8Confident78.8Confident93 Ų9352.4 Ų52.444%0.43525%0.25SS..Hα-helixtrans-101.6-34-173.2-61.4-56-55.600113.7Y333 I334 L335 R339Y333-Q337 HydrophobicContact CD1-CG 4.44Å; Y333-Q337 HydrophobicContact CD2-CG 4.44Å; Y333-Q337 HydrophobicContact CE1-CG 4.03Å; Y333-Q337 HydrophobicContact CE2-CG 4.06Å; Y333-Q337 WeakPolarHBondContact O-CG 3.36Å; Y333-Q337 PolarHBondContact O-N 3.49Å; I334-Q337 PolarHBondContact O-N 3.22Å; L335-Q337 VanDerWaalsContact C-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.08Å; Q337-R339 PolarHBondContact O-N 3.14Å
338E78.2Confident76.8Confident27 Ų2756.4 Ų56.413%0.12627%0.272CS..  trans-77.3122.6-173.7-68.2-64.6156.900111.2R291 R295 I334 Y340 C341 Q342R291-E338 IonicContact CZ-OE1 2.82Å; R291-E338 VanDerWaalsContact CZ-OE1 3.26Å; R291-E338 IonicContact NE-OE1 3.77Å; R291-E338 IonicContact NH1-OE1 2.93Å; R291-E338 IonicContact NH2-OE1 2.78Å; R291-E338 PolarHBondContact NH2-OE1 2.54Å; R295-E338 IonicContact CZ-OE1 2.68Å; R295-E338 IonicContact NE-OE1 2.64Å; R295-E338 PolarHBondContact NE-OE1 3Å; R295-E338 IonicContact NE-OE2 3.74Å; R295-E338 PolarHBondContact NE-OE2 3.14Å; R295-E338 IonicContact NH2-OE1 2.88Å; R295-E338 PolarHBondContact NH2-OE1 3.02Å; I334-E338 WeakPolarHBondContact O-CG 3.37Å; I334-E338 PolarHBondContact O-N 2.82Å; E338-Y340 VanDerWaalsContact C-N 3.27Å; E338-Y340 PolarHBondContact O-N 3.21Å; E338-C341 HydrophobicContact CB-CB 4.28Å; E338-C341 WeakPolarHBondContact O-CA 3.4Å; E338-C341 WeakPolarHBondContact O-CB 3.3Å; E338-C341 PolarHBondContact O-N 3.18Å; E338-Q342 PolarHBondContact O-N 3Å
339R72.5Confident76Confident214 Ų21459.1 Ų59.181%0.80829%0.285SS*.Hα-helixtrans-54.2-40.7-173.9-69.4-178.2-179.4176.90.3113.3Q337 C341 Q342 S343Q337-R339 PolarHBondContact O-N 3.14Å; R339-C341 VanDerWaalsContact C-N 3.34Å; R339-C341 PolarHBondContact O-N 3.02Å; R339-Q342 PolarHBondContact O-N 3.23Å; R339-S343 PolarHBondContact O-N 3.37Å; R339-S343 VanDerWaalsContact O-N 3.1Å
340Y68.2Low75.2Confident70 Ų7058.2 Ų58.228%0.27528%0.281SS..Hα-helixtrans-58.3-48.3176.2175.6-103.4000111.1G297 E338 Q342 S343 K344G297-Y340 VanDerWaalsContact CA-CE1 3.4Å; G297-Y340 PolarHBondContact O-OH 3.19Å; E338-Y340 VanDerWaalsContact C-N 3.27Å; E338-Y340 PolarHBondContact O-N 3.21Å; Y340-Q342 PolarHBondContact O-N 3.22Å; Y340-S343 PolarHBondContact O-N 3.25Å; Y340-S343 PolarHBondContact O-OG 2.83Å; Y340-K344 HydrophobicContact CE1-CG 4.33Å; Y340-K344 PolarHBondContact O-N 2.64Å; Y340-K344 WeakPolarHBondContact OH-CE 3.37Å
341C66.3Low74.2Confident0 Ų061.3 Ų61.30%030%0.296CS..Hα-helixtrans-63.9-41.7178.5-57.30000111.3L335 E338 R339 S343 K344 I345L335-C341 HydrophobicContact CD2-CB 3.99Å; L335-C341 VanDerWaalsContact O-CB 3.26Å; L335-C341 WeakPolarHBondContact O-CB 3.43Å; E338-C341 HydrophobicContact CB-CB 4.28Å; E338-C341 WeakPolarHBondContact O-CA 3.4Å; E338-C341 WeakPolarHBondContact O-CB 3.3Å; E338-C341 PolarHBondContact O-N 3.18Å; R339-C341 VanDerWaalsContact C-N 3.34Å; R339-C341 PolarHBondContact O-N 3.02Å; C341-S343 VanDerWaalsContact C-N 3.29Å; C341-S343 PolarHBondContact O-N 3.43Å; C341-K344 CarbonylContact O-C 3.53Å; C341-K344 PolarHBondContact O-N 3.1Å; C341-I345 HydrophobicContact CB-CD1 4.43Å; C341-I345 WeakPolarHBondContact O-CB 3.35Å; C341-I345 VanDerWaalsContact O-CG1 3.24Å; C341-I345 WeakPolarHBondContact O-CG1 3.24Å; C341-I345 PolarHBondContact O-N 3.37Å
342Q66.6Low73.2Confident76 Ų7664.9 Ų64.936%0.35531%0.314SS..Hα-helixtrans-57.5-42.2176.5-68.8177.2-19.100112S336 E338 R339 Y340 K344 I345 Q346S336-Q342 PolarHBondContact O-NE2 2.81Å; E338-Q342 PolarHBondContact O-N 3Å; R339-Q342 PolarHBondContact O-N 3.23Å; Y340-Q342 PolarHBondContact O-N 3.22Å; Q342-K344 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 3.04Å; Q342-I345 PolarHBondContact O-N 2.7Å; Q342-Q346 WeakPolarHBondContact O-CG 3.48Å; Q342-Q346 PolarHBondContact O-N 2.91Å
343S69.3Low72.2Confident57 Ų5768.7 Ų68.740%0.39933%0.331SS..Hα-helixtrans-60.6-40.7175.377.60000112.3R339 Y340 C341 T347R339-S343 PolarHBondContact O-N 3.37Å; R339-S343 VanDerWaalsContact O-N 3.1Å; Y340-S343 PolarHBondContact O-N 3.25Å; Y340-S343 PolarHBondContact O-OG 2.83Å; C341-S343 VanDerWaalsContact C-N 3.29Å; C341-S343 PolarHBondContact O-N 3.43Å; S343-T347 WeakPolarHBondContact O-CG2 3.28Å; S343-T347 PolarHBondContact O-N 2.91Å; S343-T347 PolarHBondContact O-OG1 2.6Å
344K65.2Low71Confident68 Ų6869.4 Ų69.430%0.29634%0.337SS..Hα-helixtrans-71.7-36.8178.2-65.9-65.9-175.8-1790112.5Y340 C341 Q342 T347 N348Y340-K344 HydrophobicContact CE1-CG 4.33Å; Y340-K344 PolarHBondContact O-N 2.64Å; Y340-K344 WeakPolarHBondContact OH-CE 3.37Å; C341-K344 CarbonylContact O-C 3.53Å; C341-K344 PolarHBondContact O-N 3.1Å; Q342-K344 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 3.04Å; K344-T347 WeakPolarHBondContact CA-OG1 3.14Å; K344-T347 PolarHBondContact O-N 3.02Å; K344-T347 PolarHBondContact O-OG1 2.86Å; K344-N348 PolarHBondContact O-N 2.78Å; K344-N348 PolarHBondContact O-ND2 3.35Å
345I62.2Low69.7Low30 Ų3074.4 Ų74.415%0.15436%0.362CS..Hα-helixtrans-68.6-35.3178-68.5164.2000111F26 K27 L335 C341 Q342F26-I345 HydrophobicContact CB-CG1 4.36Å; K27-I345 HydrophobicContact CB-CG2 4.36Å; K27-I345 HydrophobicContact CG-CG2 4.38Å; L335-I345 HydrophobicContact CB-CD1 4.43Å; L335-I345 WeakPolarHBondContact O-CD1 3.01Å; C341-I345 HydrophobicContact CB-CD1 4.43Å; C341-I345 WeakPolarHBondContact O-CB 3.35Å; C341-I345 VanDerWaalsContact O-CG1 3.24Å; C341-I345 WeakPolarHBondContact O-CG1 3.24Å; C341-I345 PolarHBondContact O-N 3.37Å; Q342-I345 PolarHBondContact O-N 2.7Å
346Q63Low68.4Low165 Ų16580.1 Ų80.177%0.77139%0.389SS*.Hα-helixtrans-74.6-26.9177.1-72175.50.600113.2Q342 N348Q342-Q346 WeakPolarHBondContact O-CG 3.48Å; Q342-Q346 PolarHBondContact O-N 2.91Å; Q346-N348 VanDerWaalsContact C-N 3.33Å
347T59.7Low67.2Low109 Ų10983.2 Ų83.267%0.66940%0.397SS*.  trans-81.2-10.4176.852.50000114.2S343 K344S343-T347 WeakPolarHBondContact O-CG2 3.28Å; S343-T347 PolarHBondContact O-N 2.91Å; S343-T347 PolarHBondContact O-OG1 2.6Å; K344-T347 WeakPolarHBondContact CA-OG1 3.14Å; K344-T347 PolarHBondContact O-N 3.02Å; K344-T347 PolarHBondContact O-OG1 2.86Å
348N52.3Low65.8Low89 Ų8982.3 Ų82.348%0.47639%0.393SS..  trans-112.30176.6-59.2-41.7000110.9S24 K27 K344 Q346S24-N348 WeakPolarHBondContact CA-ND2 3.31Å; S24-N348 PolarHBondContact O-ND2 3Å; S24-N348 VanDerWaalsContact O-ND2 3.15Å; K27-N348 WeakPolarHBondContact CD-OXT 3.24Å; K27-N348 PolarHBondContact NZ-OXT 3.23Å; K344-N348 PolarHBondContact O-N 2.78Å; K344-N348 PolarHBondContact O-ND2 3.35Å; Q346-N348 VanDerWaalsContact C-N 3.33Å

Retrieved 348 of 348 residues in 320.4 ms (Link to these results)

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