A0A087YEY1_POEFO Loading...

Protein phosphatase, Mg2+/Mn2+ dependent 1D

AlphaFold DB , UniProt , Accession A0A087YEY1, Species POEFO (Poecilia formosa, Amazon molly), Gene PPM1D, Length 552 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
1M39.5Very low77.2Confident234 Ų23451.7 Ų51.7100%1.15327%0.268SS*.  0136.40-58.7171.5-165.400106.2
2E54.8Low78.7Confident91 Ų9149.7 Ų49.743%0.42526%0.255SS..PPolyproline II helixtrans-74129.9166.7-73.9150.8-99.300108.1R114E2-R114 VanDerWaalsContact CD-NH1 3.28Å; E2-R114 VanDerWaalsContact CD-NH2 3.34Å; E2-R114 IonicContact OE1-CZ 2.79Å; E2-R114 IonicContact OE1-NH1 3.35Å; E2-R114 PolarHBondContact OE1-NH1 2.8Å; E2-R114 VanDerWaalsContact OE1-NH1 3.11Å; E2-R114 IonicContact OE1-NH2 3.66Å; E2-R114 PolarHBondContact OE1-NH2 2.93Å; E2-R114 IonicContact OE2-CZ 3.51Å; E2-R114 IonicContact OE2-NH1 3.47Å; E2-R114 PolarHBondContact OE2-NH1 3.27Å; E2-R114 IonicContact OE2-NH2 3.62Å
3N57Low79.7Confident102 Ų10247.4 Ų47.455%0.54525%0.245SC..PPolyproline II helixtrans-74138.9171.7-78.315.6000108.9L5N3-L5 PolarHBondContact O-N 3.47Å
4P65.9Low80.6Confident50 Ų5048.6 Ų48.633%0.32525%0.252SS..PPolyproline II helixtrans-65.7132.4176.728.8-34.8000110.3L6 A410P4-L6 PolarHBondContact O-N 3.38Å; P4-A410 HydrophobicContact CB-CB 3.66Å
5L79.4Confident80.6Confident6 Ų649.4 Ų49.43%0.03125%0.254CS..  trans-72.7108.9168.8-64.3-177.5000108.9N3 M7 G200 L319 P321 L409N3-L5 PolarHBondContact O-N 3.47Å; L5-M7 HydrophobicContact CB-CE 3.66Å; L5-M7 HydrophobicContact CD1-CE 4.39Å; L5-G200 VanDerWaalsContact CD1-O 3.26Å; L5-G200 WeakPolarHBondContact CD1-O 3.46Å; L5-L319 HydrophobicContact CD1-CD1 3.67Å; L5-P321 HydrophobicContact CD2-CG 3.9Å; L5-L409 PolarHBondContact O-N 2.8Å
6L87.1Confident79.7Confident42 Ų4247.1 Ų47.122%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-89.5130.4162.4-172.669.5000107.8P4 L391 L406 D408P4-L6 PolarHBondContact O-N 3.38Å; L6-L391 HydrophobicContact CB-CB 4.36Å; L6-L391 HydrophobicContact CD2-CB 4.17Å; L6-L391 HydrophobicContact CD2-CD1 4.16Å; L6-L391 HydrophobicContact CG-CB 4.26Å; L6-L391 HydrophobicContact CG-CD1 4.22Å; L6-L391 PolarHBondContact O-N 2.93Å; L6-L406 HydrophobicContact CD1-CD1 3.85Å; L6-L406 HydrophobicContact CD1-CD2 4.2Å; L6-L406 HydrophobicContact CD1-CG 3.92Å; L6-L406 HydrophobicContact CD2-CD1 4.4Å; L6-L406 HydrophobicContact CG-CD1 3.99Å; L6-D408 HydrophobicContact CD1-CB 3.87Å
7M90.4Very high78.9Confident0 Ų047.5 Ų47.50%026%0.264CS..EExtended strand (participates in β ladder)trans-144.2146.3-177.665.9-165.571.500111.9L5 V9 F119 L198 I388 A389 L390 L407 L409L5-M7 HydrophobicContact CB-CE 3.66Å; L5-M7 HydrophobicContact CD1-CE 4.39Å; M7-V9 HydrophobicContact CG-CG2 4.07Å; M7-V9 HydrophobicContact SD-CG2 4.48Å; M7-F119 HydrophobicContact SD-CE2 4.48Å; M7-F119 HydrophobicContact SD-CZ 3.98Å; M7-L198 HydrophobicContact CE-CD1 3.58Å; M7-L198 HydrophobicContact SD-CD1 3.7Å; M7-I388 HydrophobicContact CB-CG2 3.84Å; M7-I388 HydrophobicContact CG-CG2 4.12Å; M7-I388 HydrophobicContact SD-CG2 3.83Å; M7-A389 CarbonylContact C-O 3.51Å; M7-A389 WeakPolarHBondContact CA-O 3.33Å; M7-A389 WeakPolarHBondContact CB-O 3.41Å; M7-L390 HydrophobicContact CB-CD2 4.11Å; M7-L407 HydrophobicContact CG-CB 3.77Å; M7-L407 PolarHBondContact N-O 3.23Å; M7-L407 PolarHBondContact O-N 3.07Å; M7-L407 HydrophobicContact SD-CB 4.38Å; M7-L409 HydrophobicContact CE-CD1 3.77Å; M7-L409 HydrophobicContact CE-CG 3.94Å
8R91.2Very high78.4Confident11 Ų1147.6 Ų47.64%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-107.1122.4174.2175.8173.657.88911.7108.2D351 A389 L391 F400 E404R8-D351 IonicContact CZ-OD1 3.11Å; R8-D351 IonicContact NH1-OD1 3.87Å; R8-D351 PolarHBondContact NH1-OD1 3.05Å; R8-D351 IonicContact NH2-OD1 3.28Å; R8-D351 PolarHBondContact NH2-OD1 2.66Å; R8-D351 IonicContact NH2-OD2 2.96Å; R8-D351 PolarHBondContact NH2-OD2 2.79Å; R8-A389 HydrophobicContact CB-CB 4.39Å; R8-A389 PolarHBondContact N-O 3.29Å; R8-A389 PolarHBondContact O-N 3.29Å; R8-L391 HydrophobicContact CB-CD1 4.24Å; R8-F400 HydrophobicContact CG-CD1 4.47Å; R8-E404 VanDerWaalsContact CD-OE2 3.31Å; R8-E404 WeakPolarHBondContact CD-OE2 3.22Å; R8-E404 HydrophobicContact CG-CB 3.87Å; R8-E404 HydrophobicContact CG-CG 4.21Å; R8-E404 IonicContact CZ-OE2 2.66Å; R8-E404 IonicContact NE-OE2 3.88Å; R8-E404 IonicContact NH1-OE1 2.96Å; R8-E404 PolarHBondContact NH1-OE1 2.83Å; R8-E404 IonicContact NH1-OE2 3.47Å; R8-E404 PolarHBondContact NH1-OE2 2.74Å
9V93.4Very high77.8Confident6 Ų656.1 Ų56.14%0.03629%0.294CS..EExtended strand (participates in β ladder)trans-116.6129.1-172.8-175.70000110.3M7 V11 F119 I386 V387 I388 E404 V405 L407M7-V9 HydrophobicContact CG-CG2 4.07Å; M7-V9 HydrophobicContact SD-CG2 4.48Å; V9-V11 HydrophobicContact CG1-CG2 4.34Å; V9-F119 HydrophobicContact CG1-CE1 4.06Å; V9-F119 HydrophobicContact CG2-CE1 3.98Å; V9-F119 HydrophobicContact CG2-CZ 4.36Å; V9-I386 HydrophobicContact CG1-CG2 4.16Å; V9-V387 WeakPolarHBondContact CA-O 3.37Å; V9-I388 HydrophobicContact CG1-CG1 4.39Å; V9-I388 HydrophobicContact CG2-CG1 4.22Å; V9-I388 HydrophobicContact CG2-CG2 4.2Å; V9-E404 WeakPolarHBondContact O-CA 3.2Å; V9-V405 PolarHBondContact N-O 2.9Å; V9-V405 PolarHBondContact O-N 2.76Å; V9-L407 HydrophobicContact CG2-CD1 3.81Å; V9-L407 HydrophobicContact CG2-CG 4.28Å
10S94.8Very high77.3Confident3 Ų360.5 Ų60.52%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-117.3149.4161.946.20000111.3A362 I386 V387S10-A362 WeakPolarHBondContact OG-CB 3.47Å; S10-A362 PolarHBondContact OG-N 2.91Å; S10-I386 WeakPolarHBondContact O-CA 3.25Å; S10-V387 PolarHBondContact N-O 3.42Å; S10-V387 PolarHBondContact O-N 2.84Å
11V95.3Very high77.4Confident24 Ų2458.9 Ų58.915%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-132.3135.2175.9-176.70000107.6V9 T25 V27 A385 I386V9-V11 HydrophobicContact CG1-CG2 4.34Å; V11-T25 HydrophobicContact CG1-CG2 4.21Å; V11-T25 WeakPolarHBondContact CG1-OG1 3.43Å; V11-V27 HydrophobicContact CG2-CG2 3.85Å; V11-A385 WeakPolarHBondContact CA-O 3.41Å; V11-I386 HydrophobicContact CG1-CG1 4.2Å; V11-I386 HydrophobicContact CG2-CG1 4.18Å; V11-I386 HydrophobicContact CG2-CG2 4.28Å
12F95Very high79.6Confident27 Ų2750.6 Ų50.612%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-152.1143172.3-169.6-97000111.6D14 A362 R363 V366 S384 A385F12-D14 HydrophobicContact CE1-CB 4.42Å; F12-A362 HydrophobicContact CB-CB 4.01Å; F12-R363 HydrophobicContact CB-CB 4.16Å; F12-R363 HydrophobicContact CD1-CB 4.31Å; F12-R363 HydrophobicContact CD1-CG 4.33Å; F12-R363 HydrophobicContact CD2-CB 4.09Å; F12-R363 HydrophobicContact CD2-CG 4.15Å; F12-R363 HydrophobicContact CE1-CG 4.4Å; F12-R363 HydrophobicContact CE2-CG 4.27Å; F12-R363 VanDerWaalsContact CE2-NH1 3.35Å; F12-R363 HydrophobicContact CG-CB 3.89Å; F12-R363 HydrophobicContact CG-CG 4.2Å; F12-R363 HydrophobicContact CZ-CG 4.38Å; F12-V366 HydrophobicContact CD1-CB 3.67Å; F12-V366 HydrophobicContact CD1-CG1 3.66Å; F12-V366 HydrophobicContact CD1-CG2 4Å; F12-V366 HydrophobicContact CE1-CB 4.2Å; F12-V366 HydrophobicContact CE1-CG1 3.76Å; F12-S384 WeakPolarHBondContact O-CA 3.41Å; F12-A385 PolarHBondContact N-O 3.5Å; F12-A385 PolarHBondContact O-N 2.75Å
13T92.8Very high81.4Confident20 Ų2046.3 Ų46.312%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-140.5137.1-177.5-64.40000110.3D23 T383 S384T13-D23 HydrophobicContact CG2-CB 4.05Å; T13-T383 WeakPolarHBondContact CA-O 3.33Å; T13-S384 VanDerWaalsContact CG2-OG 3.24Å; T13-S384 WeakPolarHBondContact CG2-OG 3.41Å; T13-S384 PolarHBondContact OG1-OG 2.65Å; T13-S384 VanDerWaalsContact OG1-OG 3.07Å
14D91.5Very high83.1Confident65 Ų6541.9 Ų41.935%0.34822%0.215SC..EExtended strand (participates in β ladder)trans-128.4132.3166.3-172.2-60.2000109.6F12 G16 V366 L370 T383F12-D14 HydrophobicContact CE1-CB 4.42Å; D14-G16 VanDerWaalsContact C-N 3.25Å; D14-G16 PolarHBondContact O-N 2.68Å; D14-G16 PolarHBondContact OD1-N 2.94Å; D14-V366 HydrophobicContact CB-CG1 4.07Å; D14-L370 HydrophobicContact CB-CD1 3.64Å; D14-L370 HydrophobicContact CB-CD2 4.4Å; D14-T383 PolarHBondContact N-O 3.42Å; D14-T383 PolarHBondContact O-N 2.84Å
15Q80.2Confident84.6Confident60 Ų6040 Ų4028%0.2820%0.202SC..  trans-85.516.6-173-56.5-66.9-8.200113.9G17 R18 D23 N382Q15-G17 PolarHBondContact O-N 2.96Å; Q15-R18 PolarHBondContact O-N 2.94Å; Q15-D23 PolarHBondContact NE2-O 3.19Å; Q15-D23 VanDerWaalsContact OE1-N 3.14Å; Q15-N382 PolarHBondContact O-ND2 2.88Å; Q15-N382 PolarHBondContact OE1-ND2 3.11Å
16G67.4Low85.3Confident13 Ų1340.1 Ų40.113%0.13420%0.203CC..THydrogen-bonded Turntrans62.7-1.7159.200000118.2D14 D381D14-G16 VanDerWaalsContact C-N 3.25Å; D14-G16 PolarHBondContact O-N 2.68Å; D14-G16 PolarHBondContact OD1-N 2.94Å; G16-D381 WeakPolarHBondContact CA-O 3.46Å
17G65.9Low85.7Confident53 Ų5338.3 Ų38.355%0.54619%0.193SC..THydrogen-bonded Turntrans85.321.6-166.200000114.8Q15 R379Q15-G17 PolarHBondContact O-N 2.96Å; G17-R379 PolarHBondContact O-NH2 3.04Å
18R70.1Confident85.8Confident50 Ų5039.3 Ų39.319%0.18920%0.198CC..  trans-118.367.6176.3-66-173.9-171.6-1719.3112.2Q15 Y20 M21 A380 D381 N382Q15-R18 PolarHBondContact O-N 2.94Å; R18-Y20 PolarHBondContact O-N 3.16Å; R18-M21 PolarHBondContact O-N 2.6Å; R18-A380 PolarHBondContact NE-O 3.08Å; R18-D381 WeakPolarHBondContact CD-OD1 3.37Å; R18-D381 IonicContact CZ-OD1 3.94Å; R18-D381 IonicContact CZ-OD2 2.92Å; R18-D381 IonicContact NE-OD1 2.92Å; R18-D381 PolarHBondContact NE-OD1 3.41Å; R18-D381 IonicContact NE-OD2 3.28Å; R18-D381 IonicContact NH1-OD1 3.29Å; R18-D381 PolarHBondContact NH1-OD1 2.89Å; R18-D381 IonicContact NH1-OD2 2.67Å; R18-D381 PolarHBondContact NH1-OD2 3.34Å; R18-D381 IonicContact NH2-OD1 3.26Å; R18-D381 PolarHBondContact NH2-OD1 3.04Å; R18-D381 IonicContact NH2-OD2 3.5Å; R18-D381 PolarHBondContact NH2-OD2 2.93Å; R18-N382 VanDerWaalsContact CB-OD1 3.28Å; R18-N382 WeakPolarHBondContact CB-OD1 3.46Å
19K66.6Low85.9Confident208 Ų20839 Ų3990%0.90420%0.198SC*.THydrogen-bonded Turntrans-63.89.4-171.2-56.9-172.1176.3-173.30118.8
20Y68Low85.7Confident145 Ų14540.2 Ų40.257%0.56920%0.203SC*.THydrogen-bonded Turntrans-126.52.4-178.971.5-85.3000113R18R18-Y20 PolarHBondContact O-N 3.16Å
21M78.6Confident85.3Confident26 Ų2642.1 Ų42.113%0.12822%0.215CC..SBendtrans-129.3135172.9-73.5-174.3-43.100103.5R18 G124 H125 G126 N382R18-M21 PolarHBondContact O-N 2.6Å; M21-G124 CarbonylContact C-O 3.56Å; M21-G124 VanDerWaalsContact CA-O 3.24Å; M21-G124 WeakPolarHBondContact CA-O 3.31Å; M21-G124 WeakPolarHBondContact CB-O 3.38Å; M21-H125 HydrophobicContact SD-CB 4.17Å; M21-G126 PolarHBondContact SD-N 2.84Å; M21-N382 PolarHBondContact O-ND2 2.96Å
22E86.8Confident84.7Confident60 Ų6042.3 Ų42.328%0.2821%0.214SC..  trans-136.1116.7-165.3-172.3-178.4-163.300108.6V24 G124 S128 Q132E22-V24 HydrophobicContact CG-CG1 3.82Å; E22-G124 PolarHBondContact N-O 3.31Å; E22-G124 WeakPolarHBondContact O-CA 3.45Å; E22-G124 PolarHBondContact O-N 2.78Å; E22-S128 WeakPolarHBondContact OE2-CB 3.5Å; E22-Q132 PolarHBondContact OE2-NE2 3.24Å
23D91.1Very high84Confident2 Ų243.4 Ų43.41%0.01122%0.224CC..  trans-70.3131.2161.2-78.310000108.2T13 Q15 F122 D123 S331 N382 T383 S384T13-D23 HydrophobicContact CG2-CB 4.05Å; Q15-D23 PolarHBondContact NE2-O 3.19Å; Q15-D23 VanDerWaalsContact OE1-N 3.14Å; D23-F122 WeakPolarHBondContact CA-O 3.43Å; D23-D123 WeakPolarHBondContact OD1-CA 3.22Å; D23-S331 WeakPolarHBondContact OD2-CB 3.5Å; D23-S331 PolarHBondContact OD2-OG 2.84Å; D23-N382 HydrophobicContact CB-CB 4.28Å; D23-N382 WeakPolarHBondContact OD1-CB 3.48Å; D23-N382 VanDerWaalsContact OD2-C 3.26Å; D23-T383 PolarHBondContact OD2-N 3.39Å; D23-S384 WeakPolarHBondContact CB-OG 3.14Å; D23-S384 VanDerWaalsContact CG-OG 3.25Å; D23-S384 WeakPolarHBondContact OD2-CB 3.5Å; D23-S384 PolarHBondContact OD2-N 2.79Å; D23-S384 PolarHBondContact OD2-OG 3.19Å
24V94.1Very high82.8Confident9 Ų943.1 Ų43.16%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-125.6144.5166.1-58.20000110.8E22 F122 A131 R135E22-V24 HydrophobicContact CG-CG1 3.82Å; V24-F122 HydrophobicContact CG2-CB 3.85Å; V24-F122 HydrophobicContact CG2-CD2 3.99Å; V24-F122 HydrophobicContact CG2-CG 4.32Å; V24-F122 PolarHBondContact N-O 3.18Å; V24-F122 PolarHBondContact O-N 3.3Å; V24-A131 HydrophobicContact CG2-CB 4.04Å; V24-A131 WeakPolarHBondContact CG2-O 3.4Å; V24-R135 HydrophobicContact CG2-CB 3.89Å
25T95.9Very high81.3Confident11 Ų1147.7 Ų47.77%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-120.5141.6179.555.90000110V11 A120 V121 I386V11-T25 HydrophobicContact CG1-CG2 4.21Å; V11-T25 WeakPolarHBondContact CG1-OG1 3.43Å; T25-A120 CarbonylContact C-O 3.6Å; T25-A120 VanDerWaalsContact CA-O 3.3Å; T25-A120 WeakPolarHBondContact CA-O 3.38Å; T25-V121 HydrophobicContact CG2-CG2 4.29Å; T25-I386 HydrophobicContact CG2-CD1 4.45Å; T25-I386 HydrophobicContact CG2-CG1 4.31Å
26E95.3Very high80Confident8 Ų852.4 Ų52.44%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-126.5142176.6-165.249.3-135.200111.8I28 F118 F119 A120 F122 R135 S419 S421E26-I28 HydrophobicContact CG-CD1 3.73Å; E26-I28 HydrophobicContact CG-CG1 3.87Å; E26-I28 WeakPolarHBondContact OE1-CG1 3.45Å; E26-F118 HydrophobicContact CB-CE1 4.2Å; E26-F118 HydrophobicContact CG-CD1 4.46Å; E26-F118 HydrophobicContact CG-CE1 4.21Å; E26-F119 WeakPolarHBondContact O-CA 3.26Å; E26-A120 HydrophobicContact CB-CB 4.43Å; E26-A120 PolarHBondContact N-O 2.73Å; E26-A120 PolarHBondContact O-N 3.17Å; E26-F122 HydrophobicContact CB-CE2 4.28Å; E26-R135 HydrophobicContact CB-CG 4.03Å; E26-R135 HydrophobicContact CG-CG 4.16Å; E26-R135 WeakPolarHBondContact OE2-CD 3.31Å; E26-R135 WeakPolarHBondContact OE2-CG 3.17Å; E26-S419 PolarHBondContact OE1-OG 2.7Å; E26-S421 VanDerWaalsContact OE2-CB 3.23Å; E26-S421 WeakPolarHBondContact OE2-CB 3.24Å; E26-S421 PolarHBondContact OE2-OG 2.74Å
27V95.1Very high79.4Confident4 Ų456.4 Ų56.42%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-138109173.3-1790000108.1V11 F118 F119 I386 I420V11-V27 HydrophobicContact CG2-CG2 3.85Å; V27-F118 WeakPolarHBondContact CA-O 3.23Å; V27-F119 HydrophobicContact CB-CD1 4.39Å; V27-F119 HydrophobicContact CG1-CD1 3.83Å; V27-F119 HydrophobicContact CG1-CE1 3.67Å; V27-F119 HydrophobicContact CG2-CD1 3.92Å; V27-F119 HydrophobicContact CG2-CE1 4.47Å; V27-I386 HydrophobicContact CG2-CD1 4.38Å; V27-I420 HydrophobicContact CB-CB 4.3Å; V27-I420 HydrophobicContact CG1-CB 4.47Å; V27-I420 PolarHBondContact O-N 3.11Å
28I93.6Very high78.5Confident21 Ų2158.7 Ų58.711%0.10829%0.292CS..EExtended strand (participates in β ladder)trans-118.1136.2-179.8-69.4164.3000108.5E26 E30 A117 F118 W139E26-I28 HydrophobicContact CG-CD1 3.73Å; E26-I28 HydrophobicContact CG-CG1 3.87Å; E26-I28 WeakPolarHBondContact OE1-CG1 3.45Å; I28-E30 HydrophobicContact CG2-CG 3.78Å; I28-A117 CarbonylContact O-C 3.58Å; I28-A117 VanDerWaalsContact O-CA 3.3Å; I28-A117 WeakPolarHBondContact O-CA 3.44Å; I28-F118 HydrophobicContact CB-CB 4.35Å; I28-F118 HydrophobicContact CB-CD1 4.45Å; I28-F118 HydrophobicContact CD1-CD1 4.19Å; I28-F118 PolarHBondContact N-O 3Å; I28-F118 PolarHBondContact O-N 3.46Å; I28-W139 HydrophobicContact CD1-CB 3.98Å; I28-W139 HydrophobicContact CD1-CG 3.98Å
29V91.6Very high77.6Confident4 Ų460 Ų602%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-127.5125.8167.9-164.40000110V116 A117 L407 L409 V412 T418V29-V116 WeakPolarHBondContact CA-O 3.37Å; V29-A117 HydrophobicContact CG1-CB 4.38Å; V29-A117 HydrophobicContact CG2-CB 4.06Å; V29-L407 HydrophobicContact CG2-CD1 4.04Å; V29-L407 HydrophobicContact CG2-CD2 4.29Å; V29-L409 HydrophobicContact CG1-CD2 4.02Å; V29-V412 HydrophobicContact CB-CG1 4.32Å; V29-V412 HydrophobicContact CG1-CB 4.26Å; V29-V412 HydrophobicContact CG1-CG1 3.7Å; V29-V412 HydrophobicContact CG1-CG2 4.45Å; V29-T418 PolarHBondContact N-O 3.21Å; V29-T418 PolarHBondContact O-N 3.44Å
30E89.8Confident76.5Confident32 Ų3254.3 Ų54.315%0.1529%0.29CS..EExtended strand (participates in β ladder)trans-132.5151.4-179.1-63.7-171.2135.600110.8I28 S115 V116 W139 K143 P417I28-E30 HydrophobicContact CG2-CG 3.78Å; E30-S115 CarbonylContact O-C 3.6Å; E30-S115 VanDerWaalsContact O-CA 3.22Å; E30-S115 WeakPolarHBondContact O-CA 3.44Å; E30-S115 WeakPolarHBondContact O-CB 3.36Å; E30-V116 PolarHBondContact N-O 3.07Å; E30-V116 PolarHBondContact O-N 2.8Å; E30-W139 PolarHBondContact OE2-NE1 2.75Å; E30-K143 IonicContact OE1-NZ 3.58Å; E30-K143 PolarHBondContact OE1-NZ 3.06Å; E30-K143 IonicContact OE2-NZ 2.66Å; E30-K143 PolarHBondContact OE2-NZ 3.4Å; E30-P417 HydrophobicContact CG-CB 3.93Å
31P86.2Confident75.6Confident43 Ų4350.1 Ų50.128%0.27929%0.291SS..EExtended strand (participates in β ladder)trans-67.6147.3166.930.3-34.6000111.1R113P31-R113 HydrophobicContact CB-CB 4.34Å
32E83.3Confident73.9Confident27 Ų2755.4 Ų55.413%0.12632%0.316CS..PPolyproline II helixtrans-58.6144.7163.2-72.2-175.4166.600109.9R114 V116 W149 R199E32-R114 WeakPolarHBondContact CB-O 3.37Å; E32-R114 HydrophobicContact CG-CB 4.14Å; E32-R114 WeakPolarHBondContact CG-O 3.49Å; E32-R114 PolarHBondContact N-O 3.18Å; E32-R114 WeakPolarHBondContact OE2-CB 3.26Å; E32-R114 WeakPolarHBondContact OE2-CD 3.47Å; E32-V116 HydrophobicContact CG-CG2 3.82Å; E32-W149 HydrophobicContact CB-CZ3 4.44Å; E32-W149 HydrophobicContact CG-CZ3 4.11Å; E32-R199 WeakPolarHBondContact OE1-CD 3.34Å; E32-R199 VanDerWaalsContact OE1-CG 3.23Å; E32-R199 WeakPolarHBondContact OE1-CG 3.33Å; E32-R199 IonicContact OE1-CZ 2.68Å; E32-R199 IonicContact OE1-NE 3.27Å; E32-R199 PolarHBondContact OE1-NE 3.48Å; E32-R199 IonicContact OE1-NH2 3.39Å
33P81Confident71.7Confident51 Ų5161.1 Ų61.133%0.33134%0.342SS..PPolyproline II helixtrans-58.9142.8168.227.1-33.5000109.7E37 W149P33-E37 HydrophobicContact CB-CB 4.41Å; P33-W149 VanDerWaalsContact CD-CE3 3.46Å; P33-W149 VanDerWaalsContact CD-CZ3 3.46Å; P33-W149 HydrophobicContact CG-CD2 3.71Å; P33-W149 HydrophobicContact CG-CE3 3.98Å; P33-W149 HydrophobicContact CG-CG 4.01Å; P33-W149 HydrophobicContact CG-CZ2 4.39Å; P33-W149 HydrophobicContact CG-CZ3 4.42Å
34G67.7Low69.4Low14 Ų1470.6 Ų70.614%0.14439%0.386CS..PPolyproline II helixtrans-69.8157.8176.800000112D36 E37G34-D36 PolarHBondContact O-N 3.09Å; G34-D36 VanDerWaalsContact O-N 3.08Å; G34-E37 PolarHBondContact O-N 3.19Å
35E58.5Low67Low161 Ų16174.9 Ų74.975%0.75242%0.423SS*.THydrogen-bonded Turntrans-56.5-23.6175.1-65.8168.7-137.400112.4R111E35-R111 IonicContact OE1-CZ 3.51Å; E35-R111 IonicContact OE1-NH1 3.86Å; E35-R111 PolarHBondContact OE1-NH1 2.88Å; E35-R111 IonicContact OE2-NH1 2.71Å
36D54.1Low64.2Low158 Ų15878.2 Ų78.285%0.84546%0.459SS*.THydrogen-bonded Turntrans-91-5.8176.3-52.4-73.1000115.1G34G34-D36 PolarHBondContact O-N 3.09Å; G34-D36 VanDerWaalsContact O-N 3.08Å
37E55.3Low61.1Low98 Ų9885.6 Ų85.646%0.45850%0.499SS..SBendtrans-86.9130.3179.9-64.4-146-153.200111.5P33 G34 T39 R113P33-E37 HydrophobicContact CB-CB 4.41Å; G34-E37 PolarHBondContact O-N 3.19Å; E37-T39 PolarHBondContact O-N 3.38Å; E37-T39 VanDerWaalsContact O-N 3.09Å; E37-R113 IonicContact OE1-CZ 3.54Å; E37-R113 IonicContact OE1-NH1 2.74Å; E37-R113 PolarHBondContact OE1-NH1 3.4Å; E37-R113 IonicContact OE1-NH2 2.7Å; E37-R113 PolarHBondContact OE1-NH2 3.08Å
38P46.8Very low58.3Low101 Ų10189.4 Ų89.466%0.65654%0.539SS*.PPolyproline II helixtrans-65.2116.3-175.926.3-33.8000110.4P40P38-P40 WeakPolarHBondContact O-CD 3.46Å
39T51.1Low55.1Low78 Ų7891.7 Ų91.748%0.47957%0.568SS.*PPolyproline II helixtrans-55.1124.7178.3-71.10000110E37 G41E37-T39 PolarHBondContact O-N 3.38Å; E37-T39 VanDerWaalsContact O-N 3.09Å; T39-G41 VanDerWaalsContact C-N 3.32Å; T39-G41 PolarHBondContact O-N 3.03Å
40P43.4Very low52.3Low87 Ų8796.3 Ų96.357%0.56561%0.607SS**THydrogen-bonded Turntrans-65.384.8-178.5-24.635.8000112.9P38P38-P40 WeakPolarHBondContact O-CD 3.46Å
41G47.9Very low49.3Very low58 Ų58105.1 Ų105.160%0.59865%0.645SS**THydrogen-bonded Turntrans162.1-4.8179.900000117.4T39T39-G41 VanDerWaalsContact C-N 3.32Å; T39-G41 PolarHBondContact O-N 3.03Å
42E43.2Very low46.4Very low137 Ų137108 Ų10864%0.6467%0.666SS**  trans-105.26.2-174.5-55.8-149.6133.100115.5
43Q40.7Very low43.7Very low179 Ų179113.4 Ų113.484%0.83670%0.701SS**  trans-110.243-179.3-68.9-166.1-5.500115.3
44E43.6Very low41.1Very low201 Ų201116.1 Ų116.194%0.93972%0.721SS**  trans-134.753.8160.7-76.1-155.5148.400112.1
45A42.4Very low39.2Very low99 Ų99121 Ų12182%0.81875%0.752SS**SBendtrans-143.472.9173.800000112.5
46G38.1Very low37.7Very low81 Ų81119.8 Ų119.884%0.83576%0.757SS**  trans105.998.5161.600000116.4
47N29.9Very low36.3Very low163 Ų163116.8 Ų116.887%0.87275%0.754SS**  trans-144.3119.9130.5-159.10.9000110.4
48G35.5Very low35.1Very low84 Ų84119.1 Ų119.187%0.86677%0.774SS**  trans-93.9100.9174.500000109.9
49G27.1Very low34.2Very low70 Ų70120.9 Ų120.972%0.72278%0.778SS**  trans-133.4114.8178.400000110.9
50A32Very low33.1Very low100 Ų100122.7 Ų122.783%0.82679%0.794SS**  trans-81.2137.1-175.300000112.5
51F27.6Very low32.5Very low217 Ų217127 Ų12795%0.95281%0.806SS**  trans-132140.3153.8-99.1-86.7000109.4
52S25Very low32.4Very low103 Ų103129.4 Ų129.472%0.7281%0.811SS**  trans-117.3-173-175.4610000110.9
53V27.1Very low31.8Very low142 Ų142129.3 Ų129.386%0.86182%0.815SS**  trans75.7125.6179.6-170.90000112.7
54S25Very low31.3Very low108 Ų108126.7 Ų126.776%0.75581%0.805SS**  cis-160.7148-10.6170.30000109.3
55S28Very low30.7Very low115 Ų115125.4 Ų125.480%0.80480%0.797SS**  trans-129.8141.7161.956.80000110
56T27.3Very low30.1Very low137 Ų137127.7 Ų127.784%0.8480%0.795SS**  trans-75.8138.9-170.546.10000112.6
57A26.2Very low29.6Very low95 Ų95127.5 Ų127.579%0.78579%0.793SS**  trans-71.3151.2178.600000113.5
58V29.7Very low29.5Very low146 Ų146129 Ų12989%0.88579%0.792SS**  trans-129.9134.2151.3-178.60000106.2
59D27.6Very low29.2Very low138 Ų138129.3 Ų129.374%0.73879%0.786SS**  trans-108.3135.5-166.5179.420.4000111.8
60S28.3Very low29.2Very low117 Ų117135 Ų13582%0.81879%0.794SS**  trans-166.388.8168-60.20000112.3
61H29.6Very low28.9Very low177 Ų177136.4 Ų136.482%0.81979%0.793SS**  trans-95.7172.2155.6-94.5-56.4000109.9
62P46.4Very low28.8Very low108 Ų108134.9 Ų134.970%0.70179%0.789SS**  cis-130.9-16119.942-20.7000112.6
63D30.1Very low28.8Very low135 Ų135137.3 Ų137.372%0.72279%0.788SS**  cis-162.717810.2-147-23.8000112.9
64I31.7Very low28.9Very low124 Ų124137.6 Ų137.664%0.63679%0.785SS**  trans80.5104.8148.2-74.8161.4000120.5
65K29.6Very low28.8Very low174 Ų174137.9 Ų137.976%0.75778%0.782SS**  61.5156.4129.8-62.1-176.8175.8-170.30121
66D30Very low28.9Very low147 Ų147141.5 Ų141.579%0.78679%0.786SS**  cis-161.7159.1-12.8-109.9-37.5000107.1
67G28.1Very low28.8Very low77 Ų77139.8 Ų139.879%0.79478%0.779SS**  trans151.6120.4162.500000118.7
68K28.5Very low28.8Very low195 Ų195140.9 Ų140.985%0.84878%0.781SS**  trans-70.2155.5169.2-57173177-178.80111.2
69A28.5Very low28.8Very low90 Ų90139.4 Ų139.474%0.74478%0.778SS**  cis78.410428.300000116.2
70E26.7Very low28.8Very low189 Ų189141.3 Ų141.388%0.88378%0.782SS**  trans-162.5166.4158-121.2154.7-136.200111.8
71T26.5Very low28.8Very low130 Ų130146.3 Ų146.380%0.79878%0.783SS**  trans-150.8136.8-158.1-59.80000113.7
72E25.5Very low28.6Very low185 Ų185145 Ų14586%0.86479%0.787SS**  trans-159.6151.4158.9-110.9179.5169.400108
73Q25Very low27.7Very low154 Ų154149.7 Ų149.772%0.7279%0.791SS**  cis78.8140.98.5-73.4-168-1.300118.8
74L28Very low27.5Very low149 Ų149149.3 Ų149.378%0.7879%0.793SS**  cis-104.3-118.2-8.8-62.483.3000111.2
75T24.6Very low27.3Very low114 Ų114151.5 Ų151.570%0.69980%0.801SS**  cis-151.6121.4-1.846.10000111.3
76E28.1Very low27.3Very low191 Ų191152.6 Ų152.689%0.89381%0.809SS**  trans57.6161.1145.1-51.8-168.5137.100120.9
77S25.4Very low27.2Very low100 Ų100154.4 Ų154.470%0.69981%0.809SS**  cis-150.9155.31759.20000114.9
78S27.8Very low27.1Very low118 Ų118159.2 Ų159.283%0.82581%0.811SS**  trans40.2151.9136.1-49.50000122.6
79S28.5Very low26.9Very low115 Ų115155.9 Ų155.980%0.80480%0.801SS**  cis-152.8-164.72459.70000115.3
80E27.4Very low26.7Very low178 Ų178161.1 Ų161.183%0.83281%0.808SS**  trans-70.8162.3-163-65150.8114.500117.1
81R27.7Very low26.7Very low223 Ų223160.6 Ų160.684%0.84281%0.805SS**  cis91.710828.2-118.4-167.2-168-168.76.9117.1
82V26.6Very low26.7Very low148 Ų148163.6 Ų163.690%0.89781%0.81SS**  trans-143.6162.5157.5-177.60000109.2
83R27.9Very low26.8Very low208 Ų208160.7 Ų160.779%0.78581%0.805SS**  trans-134.6154.8-174.6-66.8169.9162.3173.6-9.4113.2
84T25.5Very low26.9Very low126 Ų126160.2 Ų160.277%0.77381%0.806SS**  trans169.8139.1133.237.80000107.1
85E28.2Very low26.9Very low171 Ų171158.5 Ų158.580%0.79981%0.806SS**  67.513651.2-63.3-178.8153.300111.8
86E28.3Very low27.5Very low196 Ų196159.2 Ų159.292%0.91681%0.813SS**  cis-136-167.620.1-68.2-173.9104.900114.8
87K28.1Very low27.5Very low185 Ų185154 Ų15480%0.80481%0.81SS**  trans-99.8168.8173.1-60170.9179.1174.40111.5
88H25.4Very low27.8Very low178 Ų178154.2 Ų154.282%0.82481%0.812SS**  trans-145.2153141.9-124.3-83.4000112.7
89I25.3Very low27.9Very low126 Ų126157.3 Ų157.365%0.64681%0.813SS**  trans-128.2150.5177.4-65.7171.6000107.8
90F25.1Very low28Very low200 Ų200158 Ų15888%0.87782%0.816SS**  trans-144.2141.5154.5-114.3-86.2000109.6
91E25.8Very low28.3Very low177 Ų177154.9 Ų154.983%0.82781%0.812SS**  trans-110.4151.4174.2-63.6177107.500109.6
92E26.4Very low28.7Very low194 Ų194150.1 Ų150.191%0.90781%0.81SS**  trans-152.7167.3154-139.8169.7-160.600112.9
93T26.9Very low29.2Very low123 Ų123154.4 Ų154.476%0.75581%0.81SS**  trans-106.4121.4-138.8-59.40000116.4
94I28.7Very low29.6Very low145 Ų145152.2 Ų152.274%0.74481%0.814SS**  trans35.5107.3137.4-56.8177.3000120
95S26.9Very low30.1Very low112 Ų112154.7 Ų154.778%0.78382%0.816SS**  trans59.2167.5132.4-57.40000122.8
96P38.3Very low30.6Very low130 Ų130152.2 Ų152.284%0.84482%0.815SS**  cis-126.7166-20.234.8-18.6000114.9
97G27.4Very low31Very low81 Ų81148 Ų14884%0.83581%0.808SS**  trans-178.1119166.800000116.3
98S30.6Very low31.6Very low105 Ų105146.3 Ų146.373%0.73481%0.807SS**  trans2.5134.2172.1-65.50000124.3
99E31.2Very low32.3Very low183 Ų183142.5 Ų142.586%0.85580%0.801SS**  trans72.8134.3133.9-66174172.100121.5
100C31.1Very low33.1Very low128 Ų128141.4 Ų141.487%0.86580%0.804SS**PPolyproline II helixtrans-100.5136.9-179.1-56.10000112.7
101P33Very low34.3Very low114 Ų114141 Ų14174%0.7480%0.797SS**PPolyproline II helixtrans-74167.3148.6-8.927.2000111.1
102P35.8Very low35.8Very low123 Ų123135.3 Ų135.380%0.79978%0.777SS**PPolyproline II helixtrans-78.1162.3-166.131.5-36.6000114.7D104P102-D104 PolarHBondContact O-N 3.27Å
103R36.5Very low37.7Very low238 Ų238130.9 Ų130.990%0.89875%0.751SS**PPolyproline II helixtrans-55.3131.9163.5-76.2177.1167.2179.4-5.9110.4Q105R103-Q105 PolarHBondContact O-N 2.88Å
104D38.2Very low40.1Very low161 Ų161129.9 Ų129.986%0.86173%0.734SS**PPolyproline II helixtrans-56.8130.1154.4-72.7-53.7000109.2P102P102-D104 PolarHBondContact O-N 3.27Å
105Q34.3Very low42.9Very low178 Ų178123 Ų12383%0.83270%0.699SS**PPolyproline II helixtrans-76140.5167.1-65.3-168.233.900108.6R103 S107R103-Q105 PolarHBondContact O-N 2.88Å; Q105-S107 PolarHBondContact O-N 2.88Å
106P39.2Very low46Very low120 Ų120117.8 Ų117.878%0.77966%0.662SS**PPolyproline II helixtrans-60.4118.2167.327.1-32.8000107.9N108P106-N108 PolarHBondContact O-N 3.44Å
107S36.2Very low48.7Very low107 Ų107111.6 Ų111.675%0.74862%0.622SS**  trans-60.9103.6174.655.20000108.3Q105 S109Q105-S107 PolarHBondContact O-N 2.88Å; S107-S109 PolarHBondContact O-N 2.86Å
108N41.1Very low52.1Low149 Ų149107.7 Ų107.780%0.79758%0.582SS**  trans-76.664.1-173.6-166.812.9000110.9P106 S110P106-N108 PolarHBondContact O-N 3.44Å; N108-S110 PolarHBondContact O-N 3.02Å
109S39.7Very low55.3Low98 Ų98102.7 Ų102.769%0.68555%0.547SS*.  trans-72.581.5168.6590000108.3S107 R111S107-S109 PolarHBondContact O-N 2.86Å; S109-R111 PolarHBondContact O-N 3.04Å
110S43.8Very low58.5Low103 Ų10394 Ų9472%0.7251%0.506SS*.  trans-57.7106.5170.644.70000108.8N108 S112N108-S110 PolarHBondContact O-N 3.02Å; S110-S112 PolarHBondContact O-N 3.37Å
111R50.2Low61.7Low193 Ų19387.9 Ų87.973%0.72847%0.465SS*.  trans-58.3112.2164.1-78.1-178.7168.4177.1-0.8106.2E35 S109 R113E35-R111 IonicContact OE1-CZ 3.51Å; E35-R111 IonicContact OE1-NH1 3.86Å; E35-R111 PolarHBondContact OE1-NH1 2.88Å; E35-R111 IonicContact OE2-NH1 2.71Å; S109-R111 PolarHBondContact O-N 3.04Å; R111-R113 PolarHBondContact O-N 3.41Å; R111-R113 VanDerWaalsContact O-N 3.16Å
112S56.6Low64.8Low57 Ų5782.5 Ų82.540%0.39943%0.43SS..PPolyproline II helixtrans-53.5123.5169.3-164.70000107.2S110 R114 A410 S413S110-S112 PolarHBondContact O-N 3.37Å; S112-R114 PolarHBondContact O-N 3.37Å; S112-A410 PolarHBondContact OG-O 2.72Å; S112-S413 VanDerWaalsContact OG-CB 3.31Å; S112-S413 WeakPolarHBondContact OG-CB 3.25Å
113R66.3Low67.7Low100 Ų10077.4 Ų77.438%0.37740%0.396SS..PPolyproline II helixtrans-64.6122.5177.5-69.4-172.2178.2-168.8-0.2106P31 E37 R111 S413P31-R113 HydrophobicContact CB-CB 4.34Å; E37-R113 IonicContact OE1-CZ 3.54Å; E37-R113 IonicContact OE1-NH1 2.74Å; E37-R113 PolarHBondContact OE1-NH1 3.4Å; E37-R113 IonicContact OE1-NH2 2.7Å; E37-R113 PolarHBondContact OE1-NH2 3.08Å; R111-R113 PolarHBondContact O-N 3.41Å; R111-R113 VanDerWaalsContact O-N 3.16Å; R113-S413 PolarHBondContact N-OG 2.66Å; R113-S413 WeakPolarHBondContact O-CB 3.38Å; R113-S413 PolarHBondContact O-OG 3.44Å
114R78.1Confident70.6Confident103 Ų10366.1 Ų66.139%0.38935%0.354SS..PPolyproline II helixtrans-59.8150.6176.8-61.4166.2174-146.3-8.3108.2E2 E32 S112E2-R114 VanDerWaalsContact CD-NH1 3.28Å; E2-R114 VanDerWaalsContact CD-NH2 3.34Å; E2-R114 IonicContact OE1-CZ 2.79Å; E2-R114 IonicContact OE1-NH1 3.35Å; E2-R114 PolarHBondContact OE1-NH1 2.8Å; E2-R114 VanDerWaalsContact OE1-NH1 3.11Å; E2-R114 IonicContact OE1-NH2 3.66Å; E2-R114 PolarHBondContact OE1-NH2 2.93Å; E2-R114 IonicContact OE2-CZ 3.51Å; E2-R114 IonicContact OE2-NH1 3.47Å; E2-R114 PolarHBondContact OE2-NH1 3.27Å; E2-R114 IonicContact OE2-NH2 3.62Å; E32-R114 WeakPolarHBondContact CB-O 3.37Å; E32-R114 HydrophobicContact CG-CB 4.14Å; E32-R114 WeakPolarHBondContact CG-O 3.49Å; E32-R114 PolarHBondContact N-O 3.18Å; E32-R114 WeakPolarHBondContact OE2-CB 3.26Å; E32-R114 WeakPolarHBondContact OE2-CD 3.47Å; S112-R114 PolarHBondContact O-N 3.37Å
115S87.1Confident73.3Confident1 Ų159.9 Ų59.91%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-102.9144.5172.7-60.70000111.1E30 L409 V412 S413E30-S115 CarbonylContact O-C 3.6Å; E30-S115 VanDerWaalsContact O-CA 3.22Å; E30-S115 WeakPolarHBondContact O-CA 3.44Å; E30-S115 WeakPolarHBondContact O-CB 3.36Å; S115-L409 PolarHBondContact N-O 3.08Å; S115-V412 WeakPolarHBondContact OG-CB 3.42Å; S115-S413 PolarHBondContact OG-N 3.06Å
116V92.1Very high76.1Confident1 Ų152.8 Ų52.81%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-102.3136.5167.4177.90000108.2V29 E30 E32 W139 W149 V197 L198 R199V29-V116 WeakPolarHBondContact CA-O 3.37Å; E30-V116 PolarHBondContact N-O 3.07Å; E30-V116 PolarHBondContact O-N 2.8Å; E32-V116 HydrophobicContact CG-CG2 3.82Å; V116-W139 HydrophobicContact CG1-CH2 3.79Å; V116-W139 HydrophobicContact CG1-CZ2 4.47Å; V116-W149 HydrophobicContact CG2-CH2 4.48Å; V116-W149 HydrophobicContact CG2-CZ3 3.86Å; V116-V197 HydrophobicContact CG1-CG1 3.5Å; V116-V197 VanDerWaalsContact CG1-CG1 3.5Å; V116-L198 WeakPolarHBondContact CA-O 3.42Å; V116-R199 HydrophobicContact CG2-CB 3.97Å; V116-R199 HydrophobicContact CG2-CG 3.81Å
117A94.8Very high78.7Confident0 Ų047.5 Ų47.50%026%0.261CS..EExtended strand (participates in β ladder)trans-113.4136.4170.800000110.8I28 V29 F119 V197 L198 L409I28-A117 CarbonylContact O-C 3.58Å; I28-A117 VanDerWaalsContact O-CA 3.3Å; I28-A117 WeakPolarHBondContact O-CA 3.44Å; V29-A117 HydrophobicContact CG1-CB 4.38Å; V29-A117 HydrophobicContact CG2-CB 4.06Å; A117-F119 HydrophobicContact CB-CD2 4.36Å; A117-F119 HydrophobicContact CB-CE2 3.48Å; A117-F119 VanDerWaalsContact CB-CE2 3.48Å; A117-F119 HydrophobicContact CB-CZ 3.79Å; A117-V197 CarbonylContact O-C 3.55Å; A117-V197 WeakPolarHBondContact O-CA 3.4Å; A117-L198 PolarHBondContact N-O 3.18Å; A117-L198 PolarHBondContact O-N 3.29Å; A117-L409 HydrophobicContact CB-CD2 3.86Å
118F97.6Very high81.4Confident0 Ų043.7 Ų43.70%023%0.234CC..EExtended strand (participates in β ladder)trans-115125.1174.9168.1-85.8000108.3E26 V27 I28 A120 F122 W139 I142 V195 V197E26-F118 HydrophobicContact CB-CE1 4.2Å; E26-F118 HydrophobicContact CG-CD1 4.46Å; E26-F118 HydrophobicContact CG-CE1 4.21Å; V27-F118 WeakPolarHBondContact CA-O 3.23Å; I28-F118 HydrophobicContact CB-CB 4.35Å; I28-F118 HydrophobicContact CB-CD1 4.45Å; I28-F118 HydrophobicContact CD1-CD1 4.19Å; I28-F118 PolarHBondContact N-O 3Å; I28-F118 PolarHBondContact O-N 3.46Å; F118-A120 HydrophobicContact CE1-CB 3.65Å; F118-A120 HydrophobicContact CZ-CB 3.74Å; F118-F122 HydrophobicContact CZ-CZ 4.4Å; F118-W139 HydrophobicContact CB-CD2 4.01Å; F118-W139 HydrophobicContact CB-CE3 3.75Å; F118-W139 HydrophobicContact CB-CH2 4.41Å; F118-W139 HydrophobicContact CB-CZ3 3.96Å; F118-W139 HydrophobicContact CD1-CB 4.32Å; F118-W139 HydrophobicContact CD2-CB 4.41Å; F118-W139 HydrophobicContact CD2-CD2 4.05Å; F118-W139 AromaticContact CD2-CE3 3.31Å; F118-W139 HydrophobicContact CD2-CE3 3.31Å; F118-W139 AromaticContact CD2-CZ3 3.91Å; F118-W139 HydrophobicContact CD2-CZ3 3.91Å; F118-W139 HydrophobicContact CE1-CB 4.23Å; F118-W139 HydrophobicContact CE2-CB 4.31Å; F118-W139 HydrophobicContact CE2-CE3 4.02Å; F118-W139 HydrophobicContact CG-CB 4.41Å; F118-W139 HydrophobicContact CG-CD2 4.03Å; F118-W139 AromaticContact CG-CE3 3.69Å; F118-W139 HydrophobicContact CG-CE3 3.69Å; F118-W139 HydrophobicContact CG-CG 4.37Å; F118-W139 HydrophobicContact CG-CZ3 4.3Å; F118-W139 HydrophobicContact CZ-CB 4.23Å; F118-I142 HydrophobicContact CE2-CD1 4.07Å; F118-V195 HydrophobicContact CD2-CG1 3.78Å; F118-V195 HydrophobicContact CE2-CB 4.46Å; F118-V195 HydrophobicContact CE2-CG1 3.42Å; F118-V195 VanDerWaalsContact CE2-CG1 3.42Å; F118-V195 HydrophobicContact CE2-CG2 4.17Å; F118-V195 HydrophobicContact CZ-CG1 4.21Å; F118-V195 HydrophobicContact CZ-CG2 4.26Å; F118-V197 HydrophobicContact CD2-CG2 4.01Å
119F98.4Very high84Confident0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-122.2134.2175.9-53.5-95.1000108.3M7 V9 E26 V27 A117 V195 V196 L198 L329 I386 I388 L407M7-F119 HydrophobicContact SD-CE2 4.48Å; M7-F119 HydrophobicContact SD-CZ 3.98Å; V9-F119 HydrophobicContact CG1-CE1 4.06Å; V9-F119 HydrophobicContact CG2-CE1 3.98Å; V9-F119 HydrophobicContact CG2-CZ 4.36Å; E26-F119 WeakPolarHBondContact O-CA 3.26Å; V27-F119 HydrophobicContact CB-CD1 4.39Å; V27-F119 HydrophobicContact CG1-CD1 3.83Å; V27-F119 HydrophobicContact CG1-CE1 3.67Å; V27-F119 HydrophobicContact CG2-CD1 3.92Å; V27-F119 HydrophobicContact CG2-CE1 4.47Å; A117-F119 HydrophobicContact CB-CD2 4.36Å; A117-F119 HydrophobicContact CB-CE2 3.48Å; A117-F119 VanDerWaalsContact CB-CE2 3.48Å; A117-F119 HydrophobicContact CB-CZ 3.79Å; F119-V195 CarbonylContact O-C 3.44Å; F119-V195 WeakPolarHBondContact O-CA 3.01Å; F119-V196 HydrophobicContact CB-CB 4.39Å; F119-V196 HydrophobicContact CD2-CG1 4.29Å; F119-V196 PolarHBondContact N-O 2.94Å; F119-V196 PolarHBondContact O-N 2.59Å; F119-L198 HydrophobicContact CD2-CG 4.5Å; F119-L198 HydrophobicContact CE2-CD1 3.79Å; F119-L198 HydrophobicContact CE2-CG 4.03Å; F119-L329 HydrophobicContact CB-CD1 4.43Å; F119-L329 HydrophobicContact CB-CD2 4.25Å; F119-I386 HydrophobicContact CB-CD1 4.43Å; F119-I386 HydrophobicContact CD1-CG2 4.23Å; F119-I388 HydrophobicContact CB-CD1 4.38Å; F119-I388 HydrophobicContact CD1-CD1 3.73Å; F119-I388 HydrophobicContact CD1-CG1 4.26Å; F119-I388 HydrophobicContact CD2-CD1 3.7Å; F119-I388 HydrophobicContact CE1-CD1 3.84Å; F119-I388 HydrophobicContact CE1-CG1 4.18Å; F119-I388 HydrophobicContact CE2-CD1 3.79Å; F119-I388 HydrophobicContact CG-CD1 3.67Å; F119-I388 HydrophobicContact CZ-CD1 3.87Å; F119-I388 HydrophobicContact CZ-CG1 4.47Å; F119-L407 HydrophobicContact CE1-CD1 4.17Å; F119-L407 HydrophobicContact CZ-CD1 4.03Å
120A98.5Very high86.8Confident0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-144.6142.218000000113T25 E26 F118 F122 S194 V195 I386T25-A120 CarbonylContact C-O 3.6Å; T25-A120 VanDerWaalsContact CA-O 3.3Å; T25-A120 WeakPolarHBondContact CA-O 3.38Å; E26-A120 HydrophobicContact CB-CB 4.43Å; E26-A120 PolarHBondContact N-O 2.73Å; E26-A120 PolarHBondContact O-N 3.17Å; F118-A120 HydrophobicContact CE1-CB 3.65Å; F118-A120 HydrophobicContact CZ-CB 3.74Å; A120-F122 HydrophobicContact CB-CD2 4.13Å; A120-F122 HydrophobicContact CB-CE1 4.28Å; A120-F122 HydrophobicContact CB-CE2 3.37Å; A120-F122 HydrophobicContact CB-CZ 3.47Å; A120-F122 VanDerWaalsContact CB-CZ 3.47Å; A120-S194 WeakPolarHBondContact CA-O 3.25Å; A120-V195 HydrophobicContact CB-CG2 3.96Å; A120-I386 WeakPolarHBondContact O-CD1 3.42Å
121V98.5Very high89.4Confident0 Ų028.9 Ų28.90%014%0.138CC..EExtended strand (participates in β ladder)trans-114.9129.4164.6-179.20000108.1T25 S194 L329 I386T25-V121 HydrophobicContact CG2-CG2 4.29Å; V121-S194 PolarHBondContact N-O 3.4Å; V121-S194 PolarHBondContact O-N 3.37Å; V121-L329 HydrophobicContact CG2-CB 3.67Å; V121-I386 HydrophobicContact CG2-CD1 3.91Å; V121-I386 HydrophobicContact CG2-CG1 4Å
122F98.2Very high91.6Very high0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-123.7102178.1-55.1-79000108.5D23 V24 E26 F118 A120 A131 A134 R135 L138 A193D23-F122 WeakPolarHBondContact CA-O 3.43Å; V24-F122 HydrophobicContact CG2-CB 3.85Å; V24-F122 HydrophobicContact CG2-CD2 3.99Å; V24-F122 HydrophobicContact CG2-CG 4.32Å; V24-F122 PolarHBondContact N-O 3.18Å; V24-F122 PolarHBondContact O-N 3.3Å; E26-F122 HydrophobicContact CB-CE2 4.28Å; F118-F122 HydrophobicContact CZ-CZ 4.4Å; A120-F122 HydrophobicContact CB-CD2 4.13Å; A120-F122 HydrophobicContact CB-CE1 4.28Å; A120-F122 HydrophobicContact CB-CE2 3.37Å; A120-F122 HydrophobicContact CB-CZ 3.47Å; A120-F122 VanDerWaalsContact CB-CZ 3.47Å; F122-A131 HydrophobicContact CB-CB 4.4Å; F122-A134 HydrophobicContact CD1-CB 3.55Å; F122-A134 HydrophobicContact CE1-CB 3.51Å; F122-A134 HydrophobicContact CG-CB 4.19Å; F122-A134 HydrophobicContact CZ-CB 4.1Å; F122-R135 HydrophobicContact CD2-CB 4.3Å; F122-R135 HydrophobicContact CE2-CB 4.17Å; F122-L138 HydrophobicContact CE1-CD2 3.69Å; F122-L138 HydrophobicContact CZ-CB 4.48Å; F122-L138 HydrophobicContact CZ-CD2 3.99Å; F122-A193 HydrophobicContact CD1-CB 3.69Å; F122-A193 HydrophobicContact CE1-CB 3.7Å
123D97.2Very high93.6Very high17 Ų1721.7 Ų21.79%0.09111%0.106CC..  trans-84.1118.2174.8-178.7-33.2000107.4D23 T191 T192 S211 S331 D332D23-D123 WeakPolarHBondContact OD1-CA 3.22Å; D123-T191 CarbonylContact O-C 3.53Å; D123-T191 WeakPolarHBondContact O-CA 3.26Å; D123-T191 WeakPolarHBondContact O-CB 3.44Å; D123-T191 PolarHBondContact O-OG1 2.84Å; D123-T192 HydrophobicContact CB-CG2 3.85Å; D123-T192 VanDerWaalsContact CB-OG1 3.28Å; D123-T192 WeakPolarHBondContact CB-OG1 3.23Å; D123-T192 PolarHBondContact N-OG1 2.98Å; D123-T192 PolarHBondContact O-N 2.83Å; D123-S211 VanDerWaalsContact CB-OG 3.29Å; D123-S211 WeakPolarHBondContact CB-OG 3.44Å; D123-S331 WeakPolarHBondContact OD2-CB 3.4Å; D123-D332 WeakPolarHBondContact OD2-CB 3.4Å; D123-D332 PolarHBondContact OD2-N 2.73Å; D123-D332 VanDerWaalsContact OD2-N 3.09Å
124G96.2Very high95.1Very high1 Ų116.9 Ų16.91%0.019%0.088CC..EExtended strand (participates in β ladder)trans-111.9112-161.200000114.1M21 E22M21-G124 CarbonylContact C-O 3.56Å; M21-G124 VanDerWaalsContact CA-O 3.24Å; M21-G124 WeakPolarHBondContact CA-O 3.31Å; M21-G124 WeakPolarHBondContact CB-O 3.38Å; E22-G124 PolarHBondContact N-O 3.31Å; E22-G124 WeakPolarHBondContact O-CA 3.45Å; E22-G124 PolarHBondContact O-N 2.78Å
125H95.2Very high96.1Very high30 Ų3014.7 Ų14.714%0.1398%0.08CC..EExtended strand (participates in β ladder)trans-112.6153.5-174.762.3-104.5000114M21 G127 S189 G190 L287 D295M21-H125 HydrophobicContact SD-CB 4.17Å; H125-G127 PolarHBondContact O-N 3.14Å; H125-S189 WeakPolarHBondContact O-CA 3.35Å; H125-G190 VanDerWaalsContact CE1-C 3.43Å; H125-G190 PolarHBondContact N-O 2.88Å; H125-G190 WeakPolarHBondContact NE2-CA 3.32Å; H125-G190 PolarHBondContact O-N 3.38Å; H125-G190 VanDerWaalsContact O-O 3.1Å; H125-L287 VanDerWaalsContact NE2-CD1 3.32Å; H125-L287 WeakPolarHBondContact NE2-CD1 3.22Å; H125-D295 IonicContact CD2-OD1 3.88Å; H125-D295 IonicContact CD2-OD2 3.14Å; H125-D295 IonicContact CE1-OD2 3.07Å; H125-D295 PolarHBondContact CE1-OD2 2.93Å; H125-D295 VanDerWaalsContact NE2-CG 3.27Å; H125-D295 IonicContact NE2-OD1 2.75Å; H125-D295 PolarHBondContact NE2-OD1 3.34Å; H125-D295 VanDerWaalsContact NE2-OD1 3.14Å; H125-D295 IonicContact NE2-OD2 3.38Å; H125-D295 PolarHBondContact NE2-OD2 2.88Å
126G93Very high96.5Very high28 Ų2819.3 Ų19.329%0.28911%0.105SC..SBendtrans71.85.9172.700000116M21 T188 S189M21-G126 PolarHBondContact SD-N 2.84Å; G126-T188 CarbonylContact O-C 3.55Å; G126-T188 PolarHBondContact O-OG1 2.81Å; G126-S189 PolarHBondContact O-N 2.89Å
127G93.2Very high96.8Very high10 Ų1020.8 Ų20.810%0.10312%0.115CC..SBendtrans141.3154-17400000108.8H125 E129 S189H125-G127 PolarHBondContact O-N 3.14Å; G127-E129 VanDerWaalsContact C-OE2 3.29Å; G127-E129 VanDerWaalsContact CA-OE2 3.3Å; G127-E129 WeakPolarHBondContact CA-OE2 3.39Å; G127-S189 VanDerWaalsContact C-OG 3.26Å; G127-S189 PolarHBondContact O-OG 2.79Å
128S93.5Very high97Very high26 Ų2620.8 Ų20.818%0.18212%0.115CC..SBendtrans-86.2-7.1-177.963.50000114.2E22 A130 A131 Q132E22-S128 WeakPolarHBondContact OE2-CB 3.5Å; S128-A130 PolarHBondContact O-N 3.47Å; S128-A131 PolarHBondContact O-N 3.46Å; S128-Q132 WeakPolarHBondContact O-CG 3.48Å; S128-Q132 PolarHBondContact O-N 2.89Å; S128-Q132 PolarHBondContact OG-NE2 3.08Å
129E96.8Very high97Very high39 Ų3921.1 Ų21.118%0.18212%0.116CC..Hα-helixtrans-65.9-36.8-166.1-58.779.9-173.900113.4G127 F133 W178 P179 S189G127-E129 VanDerWaalsContact C-OE2 3.29Å; G127-E129 VanDerWaalsContact CA-OE2 3.3Å; G127-E129 WeakPolarHBondContact CA-OE2 3.39Å; E129-F133 WeakPolarHBondContact O-CB 3.31Å; E129-F133 PolarHBondContact O-N 3.06Å; E129-W178 HydrophobicContact CB-CD2 3.63Å; E129-W178 HydrophobicContact CB-CE3 4.05Å; E129-W178 HydrophobicContact CB-CG 3.9Å; E129-W178 HydrophobicContact CB-CH2 4.47Å; E129-W178 HydrophobicContact CB-CZ2 4.09Å; E129-W178 HydrophobicContact CB-CZ3 4.45Å; E129-W178 HydrophobicContact CG-CB 4.38Å; E129-W178 HydrophobicContact CG-CD2 4.34Å; E129-W178 HydrophobicContact CG-CG 4.1Å; E129-P179 VanDerWaalsContact OE1-CD 3.25Å; E129-P179 WeakPolarHBondContact OE1-CD 3.33Å; E129-P179 VanDerWaalsContact OE1-CG 3.29Å; E129-P179 WeakPolarHBondContact OE1-CG 3.29Å; E129-S189 PolarHBondContact N-OG 2.95Å; E129-S189 VanDerWaalsContact OE2-CB 3.27Å; E129-S189 WeakPolarHBondContact OE2-CB 3.16Å
130A98.1Very high97Very high0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-70.4-39.1176.200000112.3S128 A134 M171 W178 S189 T191S128-A130 PolarHBondContact O-N 3.47Å; A130-A134 VanDerWaalsContact O-CB 3.25Å; A130-A134 WeakPolarHBondContact O-CB 3.36Å; A130-A134 PolarHBondContact O-N 2.87Å; A130-M171 HydrophobicContact CB-CE 4.42Å; A130-M171 HydrophobicContact CB-SD 4.36Å; A130-M171 WeakPolarHBondContact O-CE 3.49Å; A130-W178 HydrophobicContact CB-CH2 3.8Å; A130-W178 HydrophobicContact CB-CZ3 4.15Å; A130-S189 VanDerWaalsContact CB-OG 3.27Å; A130-S189 WeakPolarHBondContact CB-OG 3.33Å; A130-S189 PolarHBondContact N-OG 2.76Å; A130-T191 HydrophobicContact CB-CG2 4.15Å
131A97.5Very high97Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-66.8-48.417800000111.1V24 F122 S128 F133 A134 R135V24-A131 HydrophobicContact CG2-CB 4.04Å; V24-A131 WeakPolarHBondContact CG2-O 3.4Å; F122-A131 HydrophobicContact CB-CB 4.4Å; S128-A131 PolarHBondContact O-N 3.46Å; A131-F133 PolarHBondContact O-N 3.02Å; A131-A134 PolarHBondContact O-N 3.45Å; A131-R135 PolarHBondContact O-N 2.83Å
132Q97Very high97Very high68 Ų6828.1 Ų28.132%0.31815%0.145SC..Hα-helixtrans-60.8-44.8174.9-66.1177.510.500111.9E22 S128 A134 R135 D136E22-Q132 PolarHBondContact OE2-NE2 3.24Å; S128-Q132 WeakPolarHBondContact O-CG 3.48Å; S128-Q132 PolarHBondContact O-N 2.89Å; S128-Q132 PolarHBondContact OG-NE2 3.08Å; Q132-A134 VanDerWaalsContact C-N 3.34Å; Q132-A134 PolarHBondContact O-N 3.38Å; Q132-R135 WeakPolarHBondContact O-CB 3.24Å; Q132-R135 PolarHBondContact O-N 3.06Å; Q132-D136 WeakPolarHBondContact O-CB 3.44Å; Q132-D136 PolarHBondContact O-N 3.24Å
133F98.3Very high96.9Very high31 Ų3129.8 Ų29.814%0.13615%0.153CC..Hα-helixtrans-65.9-35.4176.5-171.4-82.6000112.4E129 A131 D136 C137 Y141 A170 M171 K174 W178E129-F133 WeakPolarHBondContact O-CB 3.31Å; E129-F133 PolarHBondContact O-N 3.06Å; A131-F133 PolarHBondContact O-N 3.02Å; F133-D136 PolarHBondContact O-N 2.59Å; F133-C137 HydrophobicContact CD1-CB 4.14Å; F133-C137 HydrophobicContact CE1-CB 3.84Å; F133-C137 HydrophobicContact CZ-CB 4.11Å; F133-C137 VanDerWaalsContact O-CB 3.28Å; F133-C137 WeakPolarHBondContact O-CB 3.42Å; F133-C137 PolarHBondContact O-N 3.16Å; F133-Y141 HydrophobicContact CE1-CE2 4.46Å; F133-Y141 HydrophobicContact CZ-CE2 4.49Å; F133-A170 HydrophobicContact CE1-CB 3.97Å; F133-A170 HydrophobicContact CZ-CB 3.75Å; F133-M171 HydrophobicContact CB-CE 4.27Å; F133-M171 HydrophobicContact CB-CG 4.46Å; F133-M171 HydrophobicContact CD1-CB 4.47Å; F133-M171 HydrophobicContact CD1-CE 3.74Å; F133-M171 HydrophobicContact CD1-CG 3.29Å; F133-M171 HydrophobicContact CD1-SD 4.38Å; F133-M171 HydrophobicContact CE1-CG 3.65Å; F133-M171 HydrophobicContact CG-CE 4.45Å; F133-M171 HydrophobicContact CG-CG 3.98Å; F133-K174 HydrophobicContact CD2-CG 4.36Å; F133-K174 HydrophobicContact CE2-CG 3.83Å; F133-W178 HydrophobicContact CB-CZ2 4.28Å
134A98.5Very high96.8Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-64.8-46.4175.500000111.4F122 A130 A131 Q132 D136 L138 M171 T191 L293F122-A134 HydrophobicContact CD1-CB 3.55Å; F122-A134 HydrophobicContact CE1-CB 3.51Å; F122-A134 HydrophobicContact CG-CB 4.19Å; F122-A134 HydrophobicContact CZ-CB 4.1Å; A130-A134 VanDerWaalsContact O-CB 3.25Å; A130-A134 WeakPolarHBondContact O-CB 3.36Å; A130-A134 PolarHBondContact O-N 2.87Å; A131-A134 PolarHBondContact O-N 3.45Å; Q132-A134 VanDerWaalsContact C-N 3.34Å; Q132-A134 PolarHBondContact O-N 3.38Å; A134-D136 PolarHBondContact O-N 2.64Å; A134-L138 WeakPolarHBondContact O-CB 3.47Å; A134-L138 PolarHBondContact O-N 2.9Å; A134-M171 HydrophobicContact CB-CE 3.85Å; A134-T191 HydrophobicContact CB-CG2 4.07Å; A134-L293 HydrophobicContact CB-CD1 4.03Å
135R97.4Very high96.9Very high57 Ų5736.6 Ų36.622%0.21518%0.182CC..Hα-helixtrans-53-54.2171.3-176.5-163.764.8-147.2-7.4111.5V24 E26 F122 A131 Q132 C137V24-R135 HydrophobicContact CG2-CB 3.89Å; E26-R135 HydrophobicContact CB-CG 4.03Å; E26-R135 HydrophobicContact CG-CG 4.16Å; E26-R135 WeakPolarHBondContact OE2-CD 3.31Å; E26-R135 WeakPolarHBondContact OE2-CG 3.17Å; F122-R135 HydrophobicContact CD2-CB 4.3Å; F122-R135 HydrophobicContact CE2-CB 4.17Å; A131-R135 PolarHBondContact O-N 2.83Å; Q132-R135 WeakPolarHBondContact O-CB 3.24Å; Q132-R135 PolarHBondContact O-N 3.06Å; R135-C137 PolarHBondContact O-N 3.18Å
136D97.3Very high97Very high98 Ų9843.8 Ų43.852%0.52421%0.208SC..Hα-helixtrans-73.6-24.8-170.5-64.2-13.8000113.8Q132 F133 A134Q132-D136 WeakPolarHBondContact O-CB 3.44Å; Q132-D136 PolarHBondContact O-N 3.24Å; F133-D136 PolarHBondContact O-N 2.59Å; A134-D136 PolarHBondContact O-N 2.64Å
137C98.1Very high97.2Very high32 Ų3243.2 Ų43.222%0.21620%0.202CC..Hα-helixtrans-125.9-21.5-169.7-65.70000116.1F133 R135 W139 E140 Y141F133-C137 HydrophobicContact CD1-CB 4.14Å; F133-C137 HydrophobicContact CE1-CB 3.84Å; F133-C137 HydrophobicContact CZ-CB 4.11Å; F133-C137 VanDerWaalsContact O-CB 3.28Å; F133-C137 WeakPolarHBondContact O-CB 3.42Å; F133-C137 PolarHBondContact O-N 3.16Å; R135-C137 PolarHBondContact O-N 3.18Å; C137-W139 PolarHBondContact O-N 2.84Å; C137-E140 PolarHBondContact O-N 3.44Å; C137-Y141 HydrophobicContact CB-CD2 3.95Å; C137-Y141 HydrophobicContact CB-CE2 3.92Å; C137-Y141 VanDerWaalsContact O-CD2 3.25Å; C137-Y141 WeakPolarHBondContact O-CD2 3.21Å; C137-Y141 PolarHBondContact O-N 2.77Å
138L98.6Very high97.4Very high0 Ų042.9 Ų42.90%020%0.198CC..Hα-helixtrans-64.3-41.5-170.1-179.460.3000112.5F122 A134 E140 Y141 I142 F164 C167 A193 V195 L293F122-L138 HydrophobicContact CE1-CD2 3.69Å; F122-L138 HydrophobicContact CZ-CB 4.48Å; F122-L138 HydrophobicContact CZ-CD2 3.99Å; A134-L138 WeakPolarHBondContact O-CB 3.47Å; A134-L138 PolarHBondContact O-N 2.9Å; L138-E140 VanDerWaalsContact C-N 3.34Å; L138-E140 PolarHBondContact O-N 2.89Å; L138-Y141 PolarHBondContact O-N 3.41Å; L138-I142 HydrophobicContact CD1-CD1 4.04Å; L138-I142 HydrophobicContact CD1-CG1 4.23Å; L138-I142 HydrophobicContact CD2-CD1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.8Å; L138-I142 HydrophobicContact CG-CG1 4.43Å; L138-I142 WeakPolarHBondContact O-CG1 3.34Å; L138-I142 PolarHBondContact O-N 3.01Å; L138-F164 HydrophobicContact CD1-CB 4.49Å; L138-F164 HydrophobicContact CD1-CD2 3.83Å; L138-F164 HydrophobicContact CD1-CE2 4.29Å; L138-F164 HydrophobicContact CD1-CG 4.11Å; L138-F164 HydrophobicContact CD2-CD2 4.3Å; L138-F164 HydrophobicContact CD2-CE1 4.43Å; L138-F164 HydrophobicContact CD2-CE2 3.96Å; L138-F164 HydrophobicContact CD2-CZ 4.04Å; L138-F164 HydrophobicContact CG-CE2 4.49Å; L138-C167 HydrophobicContact CD1-CB 3.69Å; L138-A193 HydrophobicContact CD2-CB 4.44Å; L138-V195 HydrophobicContact CD2-CG2 4.04Å; L138-L293 HydrophobicContact CD1-CD1 4.44Å; L138-L293 HydrophobicContact CD2-CD1 4.11Å
139W98.1Very high97.5Very high6 Ų644 Ų442%0.02320%0.198CC..Hα-helixtrans-59.4-44.8176.9176.7-123.4000112.1I28 E30 V116 F118 C137 Y141 I142 K143 F148 V197I28-W139 HydrophobicContact CD1-CB 3.98Å; I28-W139 HydrophobicContact CD1-CG 3.98Å; E30-W139 PolarHBondContact OE2-NE1 2.75Å; V116-W139 HydrophobicContact CG1-CH2 3.79Å; V116-W139 HydrophobicContact CG1-CZ2 4.47Å; F118-W139 HydrophobicContact CB-CD2 4.01Å; F118-W139 HydrophobicContact CB-CE3 3.75Å; F118-W139 HydrophobicContact CB-CH2 4.41Å; F118-W139 HydrophobicContact CB-CZ3 3.96Å; F118-W139 HydrophobicContact CD1-CB 4.32Å; F118-W139 HydrophobicContact CD2-CB 4.41Å; F118-W139 HydrophobicContact CD2-CD2 4.05Å; F118-W139 AromaticContact CD2-CE3 3.31Å; F118-W139 HydrophobicContact CD2-CE3 3.31Å; F118-W139 AromaticContact CD2-CZ3 3.91Å; F118-W139 HydrophobicContact CD2-CZ3 3.91Å; F118-W139 HydrophobicContact CE1-CB 4.23Å; F118-W139 HydrophobicContact CE2-CB 4.31Å; F118-W139 HydrophobicContact CE2-CE3 4.02Å; F118-W139 HydrophobicContact CG-CB 4.41Å; F118-W139 HydrophobicContact CG-CD2 4.03Å; F118-W139 AromaticContact CG-CE3 3.69Å; F118-W139 HydrophobicContact CG-CE3 3.69Å; F118-W139 HydrophobicContact CG-CG 4.37Å; F118-W139 HydrophobicContact CG-CZ3 4.3Å; F118-W139 HydrophobicContact CZ-CB 4.23Å; C137-W139 PolarHBondContact O-N 2.84Å; W139-Y141 VanDerWaalsContact C-N 3.34Å; W139-Y141 PolarHBondContact O-N 3.49Å; W139-I142 HydrophobicContact CE3-CG2 4.44Å; W139-I142 HydrophobicContact CZ3-CG2 4.37Å; W139-I142 PolarHBondContact O-N 3.19Å; W139-K143 HydrophobicContact CD2-CD 4.23Å; W139-K143 HydrophobicContact CG-CD 4.36Å; W139-K143 HydrophobicContact CH2-CB 4.41Å; W139-K143 HydrophobicContact CZ2-CB 4.27Å; W139-K143 HydrophobicContact CZ2-CD 4.08Å; W139-K143 PolarHBondContact O-N 3.15Å; W139-F148 AromaticContact CH2-CE1 3.76Å; W139-F148 HydrophobicContact CH2-CE1 3.76Å; W139-F148 AromaticContact CH2-CZ 3.53Å; W139-F148 HydrophobicContact CH2-CZ 3.53Å; W139-F148 HydrophobicContact CZ3-CE1 4.13Å; W139-F148 HydrophobicContact CZ3-CE2 4.3Å; W139-F148 AromaticContact CZ3-CZ 3.54Å; W139-F148 HydrophobicContact CZ3-CZ 3.54Å; W139-V197 HydrophobicContact CZ3-CG1 4.3Å; W139-V197 HydrophobicContact CZ3-CG2 4.3Å
140E97.8Very high97.3Very high64 Ų6443.7 Ų43.730%0.29920%0.2SC..Hα-helixtrans-61.8-39.8175.4-70.4-55.5126.100112.7C137 L138 I142 K143 K144C137-E140 PolarHBondContact O-N 3.44Å; L138-E140 VanDerWaalsContact C-N 3.34Å; L138-E140 PolarHBondContact O-N 2.89Å; E140-I142 VanDerWaalsContact C-N 3.34Å; E140-K143 WeakPolarHBondContact OE1-CE 3.47Å; E140-K143 IonicContact OE1-NZ 3.49Å; E140-K143 PolarHBondContact OE1-NZ 3.08Å; E140-K143 IonicContact OE2-NZ 3.91Å; E140-K144 WeakPolarHBondContact O-CB 3.44Å; E140-K144 WeakPolarHBondContact O-CD 3.46Å; E140-K144 VanDerWaalsContact O-CG 3.26Å; E140-K144 WeakPolarHBondContact O-CG 3.35Å; E140-K144 PolarHBondContact O-N 2.87Å; E140-K144 IonicContact OE2-NZ 2.72Å; E140-K144 PolarHBondContact OE2-NZ 2.85Å
141Y98.5Very high97Very high83 Ų8349.2 Ų49.233%0.32523%0.229SC..Hα-helixtrans-70.8-27.6176.2-81.5-64.6000113.4F133 C137 L138 W139 Q145 G163 A166 C167 A170F133-Y141 HydrophobicContact CE1-CE2 4.46Å; F133-Y141 HydrophobicContact CZ-CE2 4.49Å; C137-Y141 HydrophobicContact CB-CD2 3.95Å; C137-Y141 HydrophobicContact CB-CE2 3.92Å; C137-Y141 VanDerWaalsContact O-CD2 3.25Å; C137-Y141 WeakPolarHBondContact O-CD2 3.21Å; C137-Y141 PolarHBondContact O-N 2.77Å; L138-Y141 PolarHBondContact O-N 3.41Å; W139-Y141 VanDerWaalsContact C-N 3.34Å; W139-Y141 PolarHBondContact O-N 3.49Å; Y141-Q145 WeakPolarHBondContact O-CG 3.26Å; Y141-Q145 PolarHBondContact O-NE2 2.73Å; Y141-G163 WeakPolarHBondContact CB-O 3.39Å; Y141-G163 VanDerWaalsContact O-CA 3.32Å; Y141-G163 WeakPolarHBondContact O-CA 3.39Å; Y141-A166 HydrophobicContact CD1-CB 3.83Å; Y141-A166 HydrophobicContact CG-CB 4.38Å; Y141-C167 HydrophobicContact CD2-CB 3.75Å; Y141-C167 HydrophobicContact CG-CB 4.06Å; Y141-A170 HydrophobicContact CE1-CB 4.36Å; Y141-A170 HydrophobicContact CE2-CB 3.61Å; Y141-A170 VanDerWaalsContact CZ-CB 3.48Å; Y141-A170 VanDerWaalsContact OH-CB 3.23Å; Y141-A170 WeakPolarHBondContact OH-CB 3.23Å
142I98.5Very high97Very high0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-75.3-55.3174.2-71.6166.1000111.1F118 L138 W139 E140 K144 Q145 F148 I160 F164F118-I142 HydrophobicContact CE2-CD1 4.07Å; L138-I142 HydrophobicContact CD1-CD1 4.04Å; L138-I142 HydrophobicContact CD1-CG1 4.23Å; L138-I142 HydrophobicContact CD2-CD1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.8Å; L138-I142 HydrophobicContact CG-CG1 4.43Å; L138-I142 WeakPolarHBondContact O-CG1 3.34Å; L138-I142 PolarHBondContact O-N 3.01Å; W139-I142 HydrophobicContact CE3-CG2 4.44Å; W139-I142 HydrophobicContact CZ3-CG2 4.37Å; W139-I142 PolarHBondContact O-N 3.19Å; E140-I142 VanDerWaalsContact C-N 3.34Å; I142-K144 PolarHBondContact O-N 2.87Å; I142-K144 VanDerWaalsContact O-N 3.12Å; I142-Q145 WeakPolarHBondContact O-CB 3.36Å; I142-Q145 WeakPolarHBondContact O-CG 3.42Å; I142-Q145 PolarHBondContact O-N 2.98Å; I142-F148 HydrophobicContact CG2-CD2 3.57Å; I142-F148 HydrophobicContact CG2-CE2 3.43Å; I142-F148 VanDerWaalsContact CG2-CE2 3.43Å; I142-F148 HydrophobicContact CG2-CG 4.35Å; I142-F148 HydrophobicContact CG2-CZ 4.12Å; I142-I160 HydrophobicContact CD1-CG2 4.14Å; I142-I160 HydrophobicContact CG1-CG2 4.42Å; I142-I160 HydrophobicContact CG2-CB 4.44Å; I142-I160 HydrophobicContact CG2-CG1 3.84Å; I142-F164 HydrophobicContact CD1-CD2 4.12Å; I142-F164 HydrophobicContact CD1-CE2 3.94Å; I142-F164 HydrophobicContact CG1-CD2 4.48Å
143K95.8Very high97Very high35 Ų3550.5 Ų50.515%0.15224%0.242CC..Hα-helixtrans-69.7-14.3-169.185.2-165.3-155.8-170.90114.5E30 W139 E140 F148 W149E30-K143 IonicContact OE1-NZ 3.58Å; E30-K143 PolarHBondContact OE1-NZ 3.06Å; E30-K143 IonicContact OE2-NZ 2.66Å; E30-K143 PolarHBondContact OE2-NZ 3.4Å; W139-K143 HydrophobicContact CD2-CD 4.23Å; W139-K143 HydrophobicContact CG-CD 4.36Å; W139-K143 HydrophobicContact CH2-CB 4.41Å; W139-K143 HydrophobicContact CZ2-CB 4.27Å; W139-K143 HydrophobicContact CZ2-CD 4.08Å; W139-K143 PolarHBondContact O-N 3.15Å; E140-K143 WeakPolarHBondContact OE1-CE 3.47Å; E140-K143 IonicContact OE1-NZ 3.49Å; E140-K143 PolarHBondContact OE1-NZ 3.08Å; E140-K143 IonicContact OE2-NZ 3.91Å; K143-F148 HydrophobicContact CB-CD1 4.03Å; K143-F148 HydrophobicContact CB-CE1 4.02Å; K143-W149 HydrophobicContact CB-CZ2 4.15Å; K143-W149 PolarHBondContact O-NE1 3.12Å; K143-W149 VanDerWaalsContact O-NE1 3.14Å
144K96.3Very high97Very high115 Ų11558.5 Ų58.550%0.527%0.271SS..THydrogen-bonded Turntrans-88.6-2.6173.2-69.7177.1172.4113.40114.4E140 I142E140-K144 WeakPolarHBondContact O-CB 3.44Å; E140-K144 WeakPolarHBondContact O-CD 3.46Å; E140-K144 VanDerWaalsContact O-CG 3.26Å; E140-K144 WeakPolarHBondContact O-CG 3.35Å; E140-K144 PolarHBondContact O-N 2.87Å; E140-K144 IonicContact OE2-NZ 2.72Å; E140-K144 PolarHBondContact OE2-NZ 2.85Å; I142-K144 PolarHBondContact O-N 2.87Å; I142-K144 VanDerWaalsContact O-N 3.12Å
145Q98.2Very high97Very high46 Ų4662.9 Ų62.922%0.21529%0.292CS..SBendtrans-82.5131.4179.7-59.7-58.5-38.800111.8Y141 I142 G147 F148 A159 K162Y141-Q145 WeakPolarHBondContact O-CG 3.26Å; Y141-Q145 PolarHBondContact O-NE2 2.73Å; I142-Q145 WeakPolarHBondContact O-CB 3.36Å; I142-Q145 WeakPolarHBondContact O-CG 3.42Å; I142-Q145 PolarHBondContact O-N 2.98Å; Q145-G147 PolarHBondContact O-N 2.89Å; Q145-G147 VanDerWaalsContact O-N 3.17Å; Q145-F148 WeakPolarHBondContact O-CB 3.47Å; Q145-F148 PolarHBondContact O-N 3Å; Q145-A159 HydrophobicContact CB-CB 3.76Å; Q145-A159 WeakPolarHBondContact CG-O 3.3Å; Q145-K162 HydrophobicContact CG-CB 3.92Å
146R97.4Very high97Very high182 Ų18260.2 Ų60.269%0.68728%0.282SS*.THydrogen-bonded Turntrans-55.1122.5171.9-173.5180-176.7-159.51.7110.2
147G96.6Very high97.1Very high16 Ų1656.4 Ų56.417%0.16526%0.262CS..THydrogen-bonded Turntrans105.4-11.9-17600000114.8Q145 W149 S150 E155 V156Q145-G147 PolarHBondContact O-N 2.89Å; Q145-G147 VanDerWaalsContact O-N 3.17Å; G147-W149 PolarHBondContact O-N 2.92Å; G147-S150 WeakPolarHBondContact O-CB 3.08Å; G147-S150 PolarHBondContact O-N 2.85Å; G147-E155 CarbonylContact O-C 3.52Å; G147-V156 PolarHBondContact O-N 2.69Å
148F97.1Very high97.1Very high2 Ų257 Ų571%0.00927%0.267CS..THydrogen-bonded Turntrans-64.2-40.3-179.1-176.7-105.5000113.2W139 I142 K143 Q145 S150 V156 A159 I160 V197W139-F148 AromaticContact CH2-CE1 3.76Å; W139-F148 HydrophobicContact CH2-CE1 3.76Å; W139-F148 AromaticContact CH2-CZ 3.53Å; W139-F148 HydrophobicContact CH2-CZ 3.53Å; W139-F148 HydrophobicContact CZ3-CE1 4.13Å; W139-F148 HydrophobicContact CZ3-CE2 4.3Å; W139-F148 AromaticContact CZ3-CZ 3.54Å; W139-F148 HydrophobicContact CZ3-CZ 3.54Å; I142-F148 HydrophobicContact CG2-CD2 3.57Å; I142-F148 HydrophobicContact CG2-CE2 3.43Å; I142-F148 VanDerWaalsContact CG2-CE2 3.43Å; I142-F148 HydrophobicContact CG2-CG 4.35Å; I142-F148 HydrophobicContact CG2-CZ 4.12Å; K143-F148 HydrophobicContact CB-CD1 4.03Å; K143-F148 HydrophobicContact CB-CE1 4.02Å; Q145-F148 WeakPolarHBondContact O-CB 3.47Å; Q145-F148 PolarHBondContact O-N 3Å; F148-S150 VanDerWaalsContact C-N 3.3Å; F148-V156 HydrophobicContact CD2-CG1 4.08Å; F148-V156 HydrophobicContact CE2-CG1 4.22Å; F148-V156 WeakPolarHBondContact O-CG2 3.25Å; F148-A159 HydrophobicContact CB-CB 3.78Å; F148-A159 HydrophobicContact CD2-CB 4.46Å; F148-A159 VanDerWaalsContact N-CB 3.33Å; F148-I160 HydrophobicContact CD2-CG1 4.06Å; F148-I160 HydrophobicContact CE2-CD1 4.35Å; F148-I160 HydrophobicContact CE2-CG1 3.94Å; F148-V197 HydrophobicContact CE2-CG1 4.49Å; F148-V197 HydrophobicContact CZ-CG1 4.13Å
149W94.6Very high97.1Very high51 Ų5157 Ų5719%0.19327%0.267CS..THydrogen-bonded Turntrans-87.86.7177.2-55.5108.3000113.4E32 P33 V116 K143 G147E32-W149 HydrophobicContact CB-CZ3 4.44Å; E32-W149 HydrophobicContact CG-CZ3 4.11Å; P33-W149 VanDerWaalsContact CD-CE3 3.46Å; P33-W149 VanDerWaalsContact CD-CZ3 3.46Å; P33-W149 HydrophobicContact CG-CD2 3.71Å; P33-W149 HydrophobicContact CG-CE3 3.98Å; P33-W149 HydrophobicContact CG-CG 4.01Å; P33-W149 HydrophobicContact CG-CZ2 4.39Å; P33-W149 HydrophobicContact CG-CZ3 4.42Å; V116-W149 HydrophobicContact CG2-CH2 4.48Å; V116-W149 HydrophobicContact CG2-CZ3 3.86Å; K143-W149 HydrophobicContact CB-CZ2 4.15Å; K143-W149 PolarHBondContact O-NE1 3.12Å; K143-W149 VanDerWaalsContact O-NE1 3.14Å; G147-W149 PolarHBondContact O-N 2.92Å
150S94.1Very high97.2Very high31 Ų3156.8 Ų56.822%0.21727%0.266CS..  trans-70.1150.4174.9-175.20000111.1G147 F148 C152 E155 V156 R199G147-S150 WeakPolarHBondContact O-CB 3.08Å; G147-S150 PolarHBondContact O-N 2.85Å; F148-S150 VanDerWaalsContact C-N 3.3Å; S150-C152 PolarHBondContact OG-N 2.92Å; S150-E155 VanDerWaalsContact CB-OE2 3.22Å; S150-E155 WeakPolarHBondContact CB-OE2 3.43Å; S150-E155 PolarHBondContact OG-OE2 3.04Å; S150-V156 WeakPolarHBondContact O-CG2 3.37Å; S150-R199 PolarHBondContact O-NH1 3.07Å
151D91.9Very high97.2Very high116 Ų11656.6 Ų56.662%0.6226%0.263SS*.SBendtrans-83-3.4171.3-65.5-24.3000112.6R199D151-R199 IonicContact OD1-CZ 2.77Å; D151-R199 IonicContact OD1-NH1 3.13Å; D151-R199 PolarHBondContact OD1-NH1 3.49Å; D151-R199 IonicContact OD1-NH2 3.76Å; D151-R199 PolarHBondContact OD1-NH2 2.9Å
152C96.6Very high97.2Very high54 Ų5457.1 Ų57.137%0.36527%0.267SS..  trans-85.9110.8173.2-171.30000111.3S150 R154 E155 V156S150-C152 PolarHBondContact OG-N 2.92Å; C152-R154 PolarHBondContact O-N 2.76Å; C152-E155 HydrophobicContact CB-CB 4.26Å; C152-E155 HydrophobicContact CB-CG 3.98Å; C152-E155 WeakPolarHBondContact O-CB 3.4Å; C152-E155 PolarHBondContact O-N 2.66Å; C152-V156 PolarHBondContact O-N 2.75Å
153D97.8Very high97.2Very high41 Ų4157.1 Ų57.122%0.21927%0.267CS..Hα-helixtrans-48.9-37.9-179.8-62.3-76.5000114E155 V156 C157 R202 Y204 V316D153-E155 VanDerWaalsContact C-N 3.31Å; D153-E155 PolarHBondContact O-N 2.75Å; D153-V156 PolarHBondContact O-N 3.02Å; D153-C157 WeakPolarHBondContact O-CB 3.25Å; D153-C157 PolarHBondContact O-N 2.94Å; D153-C157 PolarHBondContact O-SG 2.88Å; D153-C157 VanDerWaalsContact O-SG 3.41Å; D153-R202 IonicContact OD1-CZ 2.73Å; D153-R202 IonicContact OD1-NE 3.43Å; D153-R202 IonicContact OD1-NH1 3.57Å; D153-R202 PolarHBondContact OD1-NH1 3.28Å; D153-R202 IonicContact OD2-CZ 3.96Å; D153-R202 IonicContact OD2-NH1 3.11Å; D153-R202 PolarHBondContact OD2-NH1 3.01Å; D153-R202 IonicContact OD2-NH2 2.78Å; D153-Y204 HydrophobicContact CB-CE1 4.28Å; D153-Y204 PolarHBondContact OD1-OH 2.6Å; D153-V316 HydrophobicContact CB-CG1 4.06Å
154R97.9Very high97.4Very high199 Ų19955.5 Ų55.575%0.75126%0.26SS*.Hα-helixtrans-66.3-33.1179.6-69.3-179.761.8-98.7-1.1112.7C152 S158C152-R154 PolarHBondContact O-N 2.76Å; R154-S158 VanDerWaalsContact O-CB 3.24Å; R154-S158 WeakPolarHBondContact O-CB 3.48Å; R154-S158 PolarHBondContact O-N 2.78Å
155E98.3Very high97.5Very high93 Ų9352 Ų5244%0.43525%0.248SC..Hα-helixtrans-76.5-39.2177.2-62.8-172.6157.900110.6G147 S150 C152 D153 S158 A159G147-E155 CarbonylContact O-C 3.52Å; S150-E155 VanDerWaalsContact CB-OE2 3.22Å; S150-E155 WeakPolarHBondContact CB-OE2 3.43Å; S150-E155 PolarHBondContact OG-OE2 3.04Å; C152-E155 HydrophobicContact CB-CB 4.26Å; C152-E155 HydrophobicContact CB-CG 3.98Å; C152-E155 WeakPolarHBondContact O-CB 3.4Å; C152-E155 PolarHBondContact O-N 2.66Å; D153-E155 VanDerWaalsContact C-N 3.31Å; D153-E155 PolarHBondContact O-N 2.75Å; E155-S158 WeakPolarHBondContact O-CB 3.49Å; E155-S158 PolarHBondContact O-N 3.31Å; E155-A159 VanDerWaalsContact O-CB 3.26Å; E155-A159 WeakPolarHBondContact O-CB 3.45Å; E155-A159 PolarHBondContact O-N 3.27Å
156V98.4Very high97.5Very high1 Ų151.1 Ų51.11%0.00625%0.249CC..Hα-helixtrans-63.9-47.4173.9-172.10000111.2G147 F148 S150 C152 D153 S158 A159 I160 Y204G147-V156 PolarHBondContact O-N 2.69Å; F148-V156 HydrophobicContact CD2-CG1 4.08Å; F148-V156 HydrophobicContact CE2-CG1 4.22Å; F148-V156 WeakPolarHBondContact O-CG2 3.25Å; S150-V156 WeakPolarHBondContact O-CG2 3.37Å; C152-V156 PolarHBondContact O-N 2.75Å; D153-V156 PolarHBondContact O-N 3.02Å; V156-S158 VanDerWaalsContact C-N 3.32Å; V156-S158 PolarHBondContact O-N 2.91Å; V156-A159 WeakPolarHBondContact O-CB 3.34Å; V156-A159 PolarHBondContact O-N 2.79Å; V156-A159 VanDerWaalsContact O-N 3.15Å; V156-I160 HydrophobicContact CG1-CD1 4.01Å; V156-I160 WeakPolarHBondContact O-CG1 3.47Å; V156-I160 PolarHBondContact O-N 2.87Å; V156-Y204 HydrophobicContact CB-CD1 4.31Å; V156-Y204 HydrophobicContact CB-CE1 3.76Å; V156-Y204 HydrophobicContact CB-CE2 4.44Å; V156-Y204 HydrophobicContact CG1-CD1 4.03Å; V156-Y204 HydrophobicContact CG1-CD2 4.04Å; V156-Y204 HydrophobicContact CG1-CE1 3.81Å; V156-Y204 HydrophobicContact CG1-CE2 3.8Å; V156-Y204 HydrophobicContact CG1-CG 4.13Å; V156-Y204 HydrophobicContact CG2-CE1 4.35Å
157C98.6Very high97.6Very high17 Ų1742.5 Ų42.512%0.11522%0.216CC..Hα-helixtrans-62.7-36.4174.1-70.60000112.6D153 R161D153-C157 WeakPolarHBondContact O-CB 3.25Å; D153-C157 PolarHBondContact O-N 2.94Å; D153-C157 PolarHBondContact O-SG 2.88Å; D153-C157 VanDerWaalsContact O-SG 3.41Å; C157-R161 VanDerWaalsContact O-CB 3.31Å; C157-R161 WeakPolarHBondContact O-CB 3.28Å; C157-R161 PolarHBondContact O-N 2.82Å; C157-R161 VanDerWaalsContact O-N 3.08Å
158S98.6Very high97.7Very high44 Ų4441.7 Ų41.731%0.30821%0.208SC..Hα-helixtrans-66.1-38.2173.3-175.70000112R154 E155 V156 K162R154-S158 VanDerWaalsContact O-CB 3.24Å; R154-S158 WeakPolarHBondContact O-CB 3.48Å; R154-S158 PolarHBondContact O-N 2.78Å; E155-S158 WeakPolarHBondContact O-CB 3.49Å; E155-S158 PolarHBondContact O-N 3.31Å; V156-S158 VanDerWaalsContact C-N 3.32Å; V156-S158 PolarHBondContact O-N 2.91Å; S158-K162 WeakPolarHBondContact O-CD 3.21Å; S158-K162 VanDerWaalsContact O-CG 3.24Å; S158-K162 WeakPolarHBondContact O-CG 3.33Å; S158-K162 PolarHBondContact O-N 3Å; S158-K162 WeakPolarHBondContact OG-CE 3.49Å; S158-K162 PolarHBondContact OG-NZ 2.85Å
159A98.7Very high97.7Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-66.9-47.9176.500000111.6Q145 F148 E155 V156 R161 K162 G163Q145-A159 HydrophobicContact CB-CB 3.76Å; Q145-A159 WeakPolarHBondContact CG-O 3.3Å; F148-A159 HydrophobicContact CB-CB 3.78Å; F148-A159 HydrophobicContact CD2-CB 4.46Å; F148-A159 VanDerWaalsContact N-CB 3.33Å; E155-A159 VanDerWaalsContact O-CB 3.26Å; E155-A159 WeakPolarHBondContact O-CB 3.45Å; E155-A159 PolarHBondContact O-N 3.27Å; V156-A159 WeakPolarHBondContact O-CB 3.34Å; V156-A159 PolarHBondContact O-N 2.79Å; V156-A159 VanDerWaalsContact O-N 3.15Å; A159-R161 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.19Å; A159-K162 PolarHBondContact O-N 3.06Å; A159-G163 PolarHBondContact O-N 2.82Å
160I98.8Very high97.9Very high2 Ų244 Ų441%0.0122%0.222CC..Hα-helixtrans-58.7-45175.9-63.4162.5000110.9I142 F148 V156 K162 G163 F164 Y204 A206I142-I160 HydrophobicContact CD1-CG2 4.14Å; I142-I160 HydrophobicContact CG1-CG2 4.42Å; I142-I160 HydrophobicContact CG2-CB 4.44Å; I142-I160 HydrophobicContact CG2-CG1 3.84Å; F148-I160 HydrophobicContact CD2-CG1 4.06Å; F148-I160 HydrophobicContact CE2-CD1 4.35Å; F148-I160 HydrophobicContact CE2-CG1 3.94Å; V156-I160 HydrophobicContact CG1-CD1 4.01Å; V156-I160 WeakPolarHBondContact O-CG1 3.47Å; V156-I160 PolarHBondContact O-N 2.87Å; I160-K162 PolarHBondContact O-N 3.02Å; I160-G163 WeakPolarHBondContact O-CA 3.45Å; I160-G163 PolarHBondContact O-N 2.89Å; I160-F164 HydrophobicContact CG2-CD2 4.09Å; I160-F164 HydrophobicContact CG2-CE2 3.84Å; I160-F164 WeakPolarHBondContact O-CD2 3.32Å; I160-F164 PolarHBondContact O-N 2.92Å; I160-F164 VanDerWaalsContact O-N 3.1Å; I160-Y204 HydrophobicContact CD1-CG 4.22Å; I160-A206 HydrophobicContact CG2-CB 3.46Å; I160-A206 VanDerWaalsContact CG2-CB 3.46Å
161R98.8Very high98.1Very high60 Ų6042.5 Ų42.523%0.22621%0.212CC..Hα-helixtrans-56.2-46.1175-179.5-179.7-62.8-76.2-24.2112.8C157 A159 G163 V165 E311 P312 T314C157-R161 VanDerWaalsContact O-CB 3.31Å; C157-R161 WeakPolarHBondContact O-CB 3.28Å; C157-R161 PolarHBondContact O-N 2.82Å; C157-R161 VanDerWaalsContact O-N 3.08Å; A159-R161 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.19Å; R161-G163 VanDerWaalsContact C-N 3.31Å; R161-G163 PolarHBondContact O-N 3.43Å; R161-V165 PolarHBondContact O-N 3.37Å; R161-E311 WeakPolarHBondContact CD-OE1 3.17Å; R161-E311 HydrophobicContact CG-CG 3.99Å; R161-E311 IonicContact CZ-OE1 3.26Å; R161-E311 IonicContact NE-OE1 3.18Å; R161-E311 VanDerWaalsContact NH1-CD 3.3Å; R161-E311 IonicContact NH1-OE1 3.52Å; R161-E311 PolarHBondContact NH1-OE1 2.71Å; R161-P312 HydrophobicContact CB-CG 4.42Å; R161-P312 PolarHBondContact NH1-O 3.48Å; R161-P312 PolarHBondContact NH2-O 3.38Å; R161-T314 HydrophobicContact CB-CG2 4.37Å; R161-T314 PolarHBondContact NH2-OG1 3.1Å
162K98.8Very high98.3Very high95 Ų9541.5 Ų41.541%0.41320%0.199SC..Hα-helixtrans-63.6-36.5174.3-68.7160.5-170.8160.50112Q145 S158 A159 I160 V165 A166Q145-K162 HydrophobicContact CG-CB 3.92Å; S158-K162 WeakPolarHBondContact O-CD 3.21Å; S158-K162 VanDerWaalsContact O-CG 3.24Å; S158-K162 WeakPolarHBondContact O-CG 3.33Å; S158-K162 PolarHBondContact O-N 3Å; S158-K162 WeakPolarHBondContact OG-CE 3.49Å; S158-K162 PolarHBondContact OG-NZ 2.85Å; A159-K162 PolarHBondContact O-N 3.06Å; I160-K162 PolarHBondContact O-N 3.02Å; K162-V165 PolarHBondContact O-N 3.45Å; K162-A166 VanDerWaalsContact O-CB 3.25Å; K162-A166 WeakPolarHBondContact O-CB 3.37Å; K162-A166 PolarHBondContact O-N 2.87Å
163G98.8Very high98.3Very high0 Ų046.6 Ų46.60%022%0.215CC..Hα-helixtrans-62.9-43.3178.800000113.3Y141 A159 I160 R161 A166 C167Y141-G163 WeakPolarHBondContact CB-O 3.39Å; Y141-G163 VanDerWaalsContact O-CA 3.32Å; Y141-G163 WeakPolarHBondContact O-CA 3.39Å; A159-G163 PolarHBondContact O-N 2.82Å; I160-G163 WeakPolarHBondContact O-CA 3.45Å; I160-G163 PolarHBondContact O-N 2.89Å; R161-G163 VanDerWaalsContact C-N 3.31Å; R161-G163 PolarHBondContact O-N 3.43Å; G163-A166 PolarHBondContact O-N 2.87Å; G163-C167 VanDerWaalsContact O-CB 3.28Å; G163-C167 WeakPolarHBondContact O-CB 3.31Å; G163-C167 PolarHBondContact O-N 2.9Å
164F98.8Very high98.3Very high0 Ų048.2 Ų48.20%022%0.22CC..Hα-helixtrans-59.1-50.2173.1-85.4-123.7000111.7L138 I142 I160 A166 C167 H168 A193 V195 A206 V208 L293 P312L138-F164 HydrophobicContact CD1-CB 4.49Å; L138-F164 HydrophobicContact CD1-CD2 3.83Å; L138-F164 HydrophobicContact CD1-CE2 4.29Å; L138-F164 HydrophobicContact CD1-CG 4.11Å; L138-F164 HydrophobicContact CD2-CD2 4.3Å; L138-F164 HydrophobicContact CD2-CE1 4.43Å; L138-F164 HydrophobicContact CD2-CE2 3.96Å; L138-F164 HydrophobicContact CD2-CZ 4.04Å; L138-F164 HydrophobicContact CG-CE2 4.49Å; I142-F164 HydrophobicContact CD1-CD2 4.12Å; I142-F164 HydrophobicContact CD1-CE2 3.94Å; I142-F164 HydrophobicContact CG1-CD2 4.48Å; I160-F164 HydrophobicContact CG2-CD2 4.09Å; I160-F164 HydrophobicContact CG2-CE2 3.84Å; I160-F164 WeakPolarHBondContact O-CD2 3.32Å; I160-F164 PolarHBondContact O-N 2.92Å; I160-F164 VanDerWaalsContact O-N 3.1Å; F164-A166 PolarHBondContact O-N 2.84Å; F164-C167 PolarHBondContact O-N 2.86Å; F164-H168 PolarHBondContact O-N 2.83Å; F164-A193 HydrophobicContact CE1-CB 3.79Å; F164-A193 HydrophobicContact CZ-CB 4.3Å; F164-V195 HydrophobicContact CE2-CG2 4.19Å; F164-V195 HydrophobicContact CZ-CB 4.17Å; F164-V195 HydrophobicContact CZ-CG2 3.71Å; F164-A206 HydrophobicContact CE2-CB 3.62Å; F164-A206 HydrophobicContact CZ-CB 3.61Å; F164-V208 HydrophobicContact CD1-CG1 4.42Å; F164-V208 HydrophobicContact CD1-CG2 4.42Å; F164-V208 HydrophobicContact CE1-CG2 4.27Å; F164-L293 HydrophobicContact CB-CD2 4.38Å; F164-L293 HydrophobicContact CD1-CD1 4.47Å; F164-L293 HydrophobicContact CD1-CD2 4.15Å; F164-P312 HydrophobicContact CB-CG 3.92Å; F164-P312 HydrophobicContact CD1-CB 3.8Å; F164-P312 HydrophobicContact CD1-CG 3.77Å; F164-P312 HydrophobicContact CD2-CG 4.03Å; F164-P312 HydrophobicContact CE1-CB 3.85Å; F164-P312 HydrophobicContact CE1-CG 4.22Å; F164-P312 HydrophobicContact CE2-CG 4.47Å; F164-P312 HydrophobicContact CG-CB 4.2Å; F164-P312 HydrophobicContact CG-CG 3.66Å; F164-P312 HydrophobicContact CZ-CB 4.31Å
165V98.6Very high98.2Very high43 Ų4340 Ų4026%0.26119%0.191SC..Hα-helixtrans-63.9-41-1801760000111.5R161 K162 H168 H169R161-V165 PolarHBondContact O-N 3.37Å; K162-V165 PolarHBondContact O-N 3.45Å; V165-H168 PolarHBondContact O-N 3.18Å; V165-H169 PolarHBondContact O-CD2 2.85Å; V165-H169 PolarHBondContact O-N 3.26Å
166A98.7Very high98.1Very high27 Ų2740.8 Ų40.822%0.22320%0.204CC..Hα-helixtrans-64.4-40.9175.200000112.6Y141 K162 G163 F164 H169 A170Y141-A166 HydrophobicContact CD1-CB 3.83Å; Y141-A166 HydrophobicContact CG-CB 4.38Å; K162-A166 VanDerWaalsContact O-CB 3.25Å; K162-A166 WeakPolarHBondContact O-CB 3.37Å; K162-A166 PolarHBondContact O-N 2.87Å; G163-A166 PolarHBondContact O-N 2.87Å; F164-A166 PolarHBondContact O-N 2.84Å; A166-H169 PolarHBondContact O-N 3.39Å; A166-A170 PolarHBondContact O-N 2.87Å
167C98.7Very high98Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-62.5-45.8174.9-172.70000111.4L138 Y141 G163 F164 H169 A170 M171L138-C167 HydrophobicContact CD1-CB 3.69Å; Y141-C167 HydrophobicContact CD2-CB 3.75Å; Y141-C167 HydrophobicContact CG-CB 4.06Å; G163-C167 VanDerWaalsContact O-CB 3.28Å; G163-C167 WeakPolarHBondContact O-CB 3.31Å; G163-C167 PolarHBondContact O-N 2.9Å; F164-C167 PolarHBondContact O-N 2.86Å; C167-H169 PolarHBondContact O-N 2.9Å; C167-A170 WeakPolarHBondContact O-CA 3.39Å; C167-A170 WeakPolarHBondContact O-CB 3.23Å; C167-A170 PolarHBondContact O-N 2.86Å; C167-M171 PolarHBondContact O-N 2.84Å
168H98.7Very high97.9Very high0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-61.3-43.9175.5178.1105.8000112.5F164 V165 A170 M171 W172 L293 G294 F306 P310F164-H168 PolarHBondContact O-N 2.83Å; V165-H168 PolarHBondContact O-N 3.18Å; H168-A170 PolarHBondContact O-N 2.94Å; H168-M171 WeakPolarHBondContact O-CB 3.41Å; H168-M171 PolarHBondContact O-N 3.43Å; H168-M171 VanDerWaalsContact O-N 3.16Å; H168-W172 PolarHBondContact O-N 3.2Å; H168-W172 VanDerWaalsContact O-N 3.1Å; H168-L293 HydrophobicContact CB-CD2 4.07Å; H168-G294 PolarHBondContact CE1-O 3.45Å; H168-G294 PolarHBondContact ND1-O 3.02Å; H168-F306 AromaticContact CD2-CZ 3.94Å; H168-F306 AromaticContact CE1-CD1 3.79Å; H168-F306 AromaticContact CE1-CE1 3.81Å; H168-F306 AromaticContact NE2-CD1 3.33Å; H168-F306 VanDerWaalsContact NE2-CD1 3.33Å; H168-F306 WeakPolarHBondContact NE2-CD1 3.41Å; H168-F306 AromaticContact NE2-CD2 3.88Å; H168-F306 AromaticContact NE2-CE1 3.03Å; H168-F306 WeakPolarHBondContact NE2-CE1 3.41Å; H168-F306 AromaticContact NE2-CE2 3.64Å; H168-F306 AromaticContact NE2-CG 3.75Å; H168-F306 AromaticContact NE2-CZ 3.21Å; H168-F306 WeakPolarHBondContact NE2-CZ 3.46Å; H168-P310 HydrophobicContact CB-CB 3.63Å; H168-P310 HydrophobicContact CB-CG 4.12Å; H168-P310 WeakPolarHBondContact ND1-CB 3.47Å
169H98.3Very high97.7Very high94 Ų9449.1 Ų49.144%0.43524%0.242SC..Hα-helixtrans-66.8-20.5173.6-69.4-51.1000113.6V165 A166 C167V165-H169 PolarHBondContact O-CD2 2.85Å; V165-H169 PolarHBondContact O-N 3.26Å; A166-H169 PolarHBondContact O-N 3.39Å; C167-H169 PolarHBondContact O-N 2.9Å
170A98.4Very high97.5Very high7 Ų756.2 Ų56.26%0.05827%0.273CS..Hα-helixtrans-77.1-3917000000112F133 Y141 A166 C167 H168 W172 K173 K174F133-A170 HydrophobicContact CE1-CB 3.97Å; F133-A170 HydrophobicContact CZ-CB 3.75Å; Y141-A170 HydrophobicContact CE1-CB 4.36Å; Y141-A170 HydrophobicContact CE2-CB 3.61Å; Y141-A170 VanDerWaalsContact CZ-CB 3.48Å; Y141-A170 VanDerWaalsContact OH-CB 3.23Å; Y141-A170 WeakPolarHBondContact OH-CB 3.23Å; A166-A170 PolarHBondContact O-N 2.87Å; C167-A170 WeakPolarHBondContact O-CA 3.39Å; C167-A170 WeakPolarHBondContact O-CB 3.23Å; C167-A170 PolarHBondContact O-N 2.86Å; H168-A170 PolarHBondContact O-N 2.94Å; A170-W172 VanDerWaalsContact C-N 3.26Å; A170-W172 PolarHBondContact O-N 3.2Å; A170-K173 WeakPolarHBondContact O-CB 3.44Å; A170-K173 PolarHBondContact O-N 2.78Å; A170-K174 PolarHBondContact O-N 3.01Å
171M98.3Very high97.1Very high0 Ų057.6 Ų57.60%028%0.282CS..Hα-helixtrans-56.1-40.3169.7-65173.717500111.6A130 F133 A134 C167 H168 K173 K174 L175 W178 L293 G294 L296A130-M171 HydrophobicContact CB-CE 4.42Å; A130-M171 HydrophobicContact CB-SD 4.36Å; A130-M171 WeakPolarHBondContact O-CE 3.49Å; F133-M171 HydrophobicContact CB-CE 4.27Å; F133-M171 HydrophobicContact CB-CG 4.46Å; F133-M171 HydrophobicContact CD1-CB 4.47Å; F133-M171 HydrophobicContact CD1-CE 3.74Å; F133-M171 HydrophobicContact CD1-CG 3.29Å; F133-M171 HydrophobicContact CD1-SD 4.38Å; F133-M171 HydrophobicContact CE1-CG 3.65Å; F133-M171 HydrophobicContact CG-CE 4.45Å; F133-M171 HydrophobicContact CG-CG 3.98Å; A134-M171 HydrophobicContact CB-CE 3.85Å; C167-M171 PolarHBondContact O-N 2.84Å; H168-M171 WeakPolarHBondContact O-CB 3.41Å; H168-M171 PolarHBondContact O-N 3.43Å; H168-M171 VanDerWaalsContact O-N 3.16Å; M171-K173 PolarHBondContact O-N 3.18Å; M171-K174 CarbonylContact O-C 3.56Å; M171-K174 WeakPolarHBondContact O-CA 3.5Å; M171-K174 PolarHBondContact O-N 3.26Å; M171-L175 PolarHBondContact O-N 2.81Å; M171-W178 HydrophobicContact CB-CH2 3.8Å; M171-W178 HydrophobicContact CB-CZ2 4.1Å; M171-W178 HydrophobicContact CG-CH2 3.97Å; M171-W178 HydrophobicContact CG-CZ2 4.18Å; M171-W178 HydrophobicContact SD-CH2 4.25Å; M171-L293 HydrophobicContact CE-CB 3.83Å; M171-L293 HydrophobicContact CE-CD1 4.39Å; M171-L293 HydrophobicContact SD-CB 4.06Å; M171-G294 PolarHBondContact SD-N 2.89Å; M171-L296 HydrophobicContact CB-CD1 4.26Å
172W95.6Very high96.6Very high94 Ų9463.8 Ų63.836%0.35632%0.318SS..Hα-helixtrans-57.3-34.3175.7-169.9-77.3000113.3H168 A170 K174 L296 Y299 F306H168-W172 PolarHBondContact O-N 3.2Å; H168-W172 VanDerWaalsContact O-N 3.1Å; A170-W172 VanDerWaalsContact C-N 3.26Å; A170-W172 PolarHBondContact O-N 3.2Å; W172-K174 VanDerWaalsContact C-N 3.29Å; W172-K174 PolarHBondContact O-N 2.76Å; W172-L296 HydrophobicContact CB-CD2 4.39Å; W172-L296 HydrophobicContact CE3-CB 3.84Å; W172-L296 HydrophobicContact CE3-CD2 3.89Å; W172-L296 HydrophobicContact CE3-CG 4.32Å; W172-L296 HydrophobicContact CZ3-CB 3.99Å; W172-L296 VanDerWaalsContact CZ3-O 3.26Å; W172-L296 WeakPolarHBondContact CZ3-O 3.39Å; W172-Y299 AromaticContact CH2-CD1 4Å; W172-Y299 HydrophobicContact CH2-CD1 4Å; W172-Y299 HydrophobicContact CH2-CD2 4.49Å; W172-Y299 AromaticContact CH2-CG 3.81Å; W172-Y299 HydrophobicContact CH2-CG 3.81Å; W172-Y299 HydrophobicContact CZ3-CD2 4.47Å; W172-Y299 HydrophobicContact CZ3-CG 4.04Å; W172-F306 AromaticContact CE3-CE1 3.63Å; W172-F306 HydrophobicContact CE3-CE1 3.63Å; W172-F306 AromaticContact CE3-CZ 3.55Å; W172-F306 HydrophobicContact CE3-CZ 3.55Å; W172-F306 AromaticContact CZ3-CE1 3.5Å; W172-F306 HydrophobicContact CZ3-CE1 3.5Å; W172-F306 AromaticContact CZ3-CZ 3.68Å; W172-F306 HydrophobicContact CZ3-CZ 3.68Å
173K96.5Very high96.1Very high161 Ų16162.6 Ų62.670%0.732%0.319SS*.Hα-helixtrans-72.8-22.6175.3-60172.5-172.9175.90112.5A170 M171 P176A170-K173 WeakPolarHBondContact O-CB 3.44Å; A170-K173 PolarHBondContact O-N 2.78Å; M171-K173 PolarHBondContact O-N 3.18Å; K173-P176 WeakPolarHBondContact O-CD 3.38Å
174K97.1Very high95.6Very high75 Ų7564.9 Ų64.933%0.32634%0.343SS..Hα-helixtrans-94.2-16.8178.5-72.5-57.6-163.8173.90114.9F133 A170 M171 W172 P176 E177 W178F133-K174 HydrophobicContact CD2-CG 4.36Å; F133-K174 HydrophobicContact CE2-CG 3.83Å; A170-K174 PolarHBondContact O-N 3.01Å; M171-K174 CarbonylContact O-C 3.56Å; M171-K174 WeakPolarHBondContact O-CA 3.5Å; M171-K174 PolarHBondContact O-N 3.26Å; W172-K174 VanDerWaalsContact C-N 3.29Å; W172-K174 PolarHBondContact O-N 2.76Å; K174-P176 VanDerWaalsContact C-N 3.26Å; K174-P176 VanDerWaalsContact O-N 3.08Å; K174-E177 VanDerWaalsContact CD-CD 3.46Å; K174-E177 VanDerWaalsContact CD-OE1 3.22Å; K174-E177 WeakPolarHBondContact CD-OE1 3.32Å; K174-E177 WeakPolarHBondContact CD-OE2 3.42Å; K174-E177 IonicContact NZ-OE1 3.32Å; K174-E177 PolarHBondContact NZ-OE1 2.78Å; K174-E177 IonicContact NZ-OE2 2.69Å; K174-E177 PolarHBondContact NZ-OE2 3.22Å; K174-E177 WeakPolarHBondContact O-CA 3.49Å; K174-E177 WeakPolarHBondContact O-CB 3.44Å; K174-E177 PolarHBondContact O-N 2.77Å; K174-W178 PolarHBondContact O-N 2.71Å
175L96.2Very high95.2Very high28 Ų2867 Ų6715%0.14735%0.354CS..THydrogen-bonded Turntrans-47.2-34.4174.5-178.460.4000115.7M171 E177 W178 P186 L296M171-L175 PolarHBondContact O-N 2.81Å; L175-E177 VanDerWaalsContact C-N 3.27Å; L175-E177 PolarHBondContact O-N 3.39Å; L175-W178 HydrophobicContact CD1-CE3 4.22Å; L175-W178 PolarHBondContact O-N 3.13Å; L175-P186 HydrophobicContact CD1-CB 4.06Å; L175-P186 HydrophobicContact CD2-CB 4.29Å; L175-P186 HydrophobicContact CG-CB 4.32Å; L175-L296 HydrophobicContact CB-CD1 3.82Å; L175-L296 HydrophobicContact CD1-CD1 4.15Å; L175-L296 HydrophobicContact CD2-CB 3.96Å; L175-L296 HydrophobicContact CD2-CD1 4.02Å; L175-L296 HydrophobicContact CG-CD1 4.2Å
176P96.2Very high94.9Very high108 Ų10868.4 Ų68.470%0.70136%0.364SS*.THydrogen-bonded Turntrans-68.4-22.4175.1-21.435.1000114.7K173 K174K173-P176 WeakPolarHBondContact O-CD 3.38Å; K174-P176 VanDerWaalsContact C-N 3.26Å; K174-P176 VanDerWaalsContact O-N 3.08Å
177E96.3Very high94.8Very high133 Ų13367.5 Ų67.562%0.62136%0.356SS*.THydrogen-bonded Turntrans-88.5-21.2177.8-58.2173.1-148.500111.9K174 L175K174-E177 VanDerWaalsContact CD-CD 3.46Å; K174-E177 VanDerWaalsContact CD-OE1 3.22Å; K174-E177 WeakPolarHBondContact CD-OE1 3.32Å; K174-E177 WeakPolarHBondContact CD-OE2 3.42Å; K174-E177 IonicContact NZ-OE1 3.32Å; K174-E177 PolarHBondContact NZ-OE1 2.78Å; K174-E177 IonicContact NZ-OE2 2.69Å; K174-E177 PolarHBondContact NZ-OE2 3.22Å; K174-E177 WeakPolarHBondContact O-CA 3.49Å; K174-E177 WeakPolarHBondContact O-CB 3.44Å; K174-E177 PolarHBondContact O-N 2.77Å; L175-E177 VanDerWaalsContact C-N 3.27Å; L175-E177 PolarHBondContact O-N 3.39Å
178W96.4Very high94.7Very high26 Ų2668.2 Ų68.210%0.09836%0.36CS..SBendtrans-74.1146.4-176.7-67.9-0.3000112.9E129 A130 F133 M171 K174 L175 K180 L296E129-W178 HydrophobicContact CB-CD2 3.63Å; E129-W178 HydrophobicContact CB-CE3 4.05Å; E129-W178 HydrophobicContact CB-CG 3.9Å; E129-W178 HydrophobicContact CB-CH2 4.47Å; E129-W178 HydrophobicContact CB-CZ2 4.09Å; E129-W178 HydrophobicContact CB-CZ3 4.45Å; E129-W178 HydrophobicContact CG-CB 4.38Å; E129-W178 HydrophobicContact CG-CD2 4.34Å; E129-W178 HydrophobicContact CG-CG 4.1Å; A130-W178 HydrophobicContact CB-CH2 3.8Å; A130-W178 HydrophobicContact CB-CZ3 4.15Å; F133-W178 HydrophobicContact CB-CZ2 4.28Å; M171-W178 HydrophobicContact CB-CH2 3.8Å; M171-W178 HydrophobicContact CB-CZ2 4.1Å; M171-W178 HydrophobicContact CG-CH2 3.97Å; M171-W178 HydrophobicContact CG-CZ2 4.18Å; M171-W178 HydrophobicContact SD-CH2 4.25Å; K174-W178 PolarHBondContact O-N 2.71Å; L175-W178 HydrophobicContact CD1-CE3 4.22Å; L175-W178 PolarHBondContact O-N 3.13Å; W178-K180 PolarHBondContact O-N 3.4Å; W178-L296 HydrophobicContact CZ3-CD1 4.07Å
179P95Very high94.6Very high79 Ų7968.2 Ų68.251%0.51336%0.36SS..PPolyproline II helixtrans-52.2129.4175.2-29.537.9000113.4E129 S187E129-P179 VanDerWaalsContact OE1-CD 3.25Å; E129-P179 WeakPolarHBondContact OE1-CD 3.33Å; E129-P179 VanDerWaalsContact OE1-CG 3.29Å; E129-P179 WeakPolarHBondContact OE1-CG 3.29Å; P179-S187 WeakPolarHBondContact O-CA 3.47Å; P179-S187 VanDerWaalsContact O-CB 3.25Å; P179-S187 WeakPolarHBondContact O-CB 3.38Å
180K94.3Very high94.6Very high148 Ų14863.8 Ų63.864%0.64334%0.34SS*.PPolyproline II helixtrans-74.3149.9173.9-70.5178.6179.7-179.70110.4W178 L185W178-K180 PolarHBondContact O-N 3.4Å; K180-L185 WeakPolarHBondContact CA-O 3.3Å; K180-L185 VanDerWaalsContact CB-O 3.31Å; K180-L185 WeakPolarHBondContact CB-O 3.49Å
181T90.9Very high94.6Very high31 Ų3163.4 Ų63.419%0.1934%0.337CS..PPolyproline II helixtrans-55.4159.4170.661.90000111.4T183 G184 L185 T188T181-T183 PolarHBondContact O-N 3.03Å; T181-T183 PolarHBondContact OG1-OG1 3.06Å; T181-G184 PolarHBondContact O-N 3.23Å; T181-L185 PolarHBondContact N-O 3.38Å; T181-L185 WeakPolarHBondContact OG1-CB 3.38Å; T181-L185 PolarHBondContact OG1-N 2.94Å; T181-L185 VanDerWaalsContact OG1-N 3.13Å; T181-L185 PolarHBondContact OG1-O 2.82Å; T181-L185 VanDerWaalsContact OG1-O 3.12Å; T181-T188 HydrophobicContact CG2-CG2 3.93Å
182L88.1Confident94.6Very high191 Ų19163.5 Ų63.5100%134%0.337SS*.THydrogen-bonded Turntrans-53.8-18.3174-63.1175.6000114.3
183T87.5Confident94.8Very high70 Ų7059 Ų5943%0.42932%0.32SS..THydrogen-bonded Turntrans-97.712.2176.253.70000114.1T181 L185 L269T181-T183 PolarHBondContact O-N 3.03Å; T181-T183 PolarHBondContact OG1-OG1 3.06Å; T183-L185 PolarHBondContact O-N 2.98Å; T183-L269 HydrophobicContact CG2-CD1 3.88Å; T183-L269 HydrophobicContact CG2-CD2 4.19Å
184G89.3Confident94.9Very high48 Ų4851.3 Ų51.350%0.49529%0.287SS..SBendtrans74.42.3178.300000115.7T181T181-G184 PolarHBondContact O-N 3.23Å
185L90Very high94.9Very high45 Ų4547.8 Ų47.824%0.23627%0.272CS..PPolyproline II helixtrans-74.3155.7173.3-55.8172.5000110.4K180 T181 T183 W264 L269K180-L185 WeakPolarHBondContact CA-O 3.3Å; K180-L185 VanDerWaalsContact CB-O 3.31Å; K180-L185 WeakPolarHBondContact CB-O 3.49Å; T181-L185 PolarHBondContact N-O 3.38Å; T181-L185 WeakPolarHBondContact OG1-CB 3.38Å; T181-L185 PolarHBondContact OG1-N 2.94Å; T181-L185 VanDerWaalsContact OG1-N 3.13Å; T181-L185 PolarHBondContact OG1-O 2.82Å; T181-L185 VanDerWaalsContact OG1-O 3.12Å; T183-L185 PolarHBondContact O-N 2.98Å; L185-W264 HydrophobicContact CB-CH2 4.47Å; L185-W264 HydrophobicContact CD1-CH2 3.8Å; L185-W264 HydrophobicContact CD1-CZ2 4.02Å; L185-L269 HydrophobicContact CD1-CD2 4.08Å; L185-L269 HydrophobicContact CG-CD2 4.41Å
186P92.8Very high95.1Very high72 Ų7246.5 Ų46.547%0.46827%0.265SS..PPolyproline II helixtrans-50158.1173.5-25.834.9000113.2L175L175-P186 HydrophobicContact CD1-CB 4.06Å; L175-P186 HydrophobicContact CD2-CB 4.29Å; L175-P186 HydrophobicContact CG-CB 4.32Å
187S95.8Very high95.2Very high7 Ų741.4 Ų41.45%0.04923%0.232CC..PPolyproline II helixtrans-53.2143.4179-1780000111.9P179 S189P179-S187 WeakPolarHBondContact O-CA 3.47Å; P179-S187 VanDerWaalsContact O-CB 3.25Å; P179-S187 WeakPolarHBondContact O-CB 3.38Å; S187-S189 WeakPolarHBondContact OG-CB 3.37Å; S187-S189 PolarHBondContact OG-N 2.89Å; S187-S189 VanDerWaalsContact OG-N 3.09Å
188T96Very high95.1Very high15 Ų1535.1 Ų35.19%0.09220%0.202CC..  trans-105.515.6172.750.20000112.4G126 T181 G190 W264 F286G126-T188 CarbonylContact O-C 3.55Å; G126-T188 PolarHBondContact O-OG1 2.81Å; T181-T188 HydrophobicContact CG2-CG2 3.93Å; T188-G190 PolarHBondContact O-N 2.84Å; T188-W264 HydrophobicContact CG2-CE3 4.32Å; T188-W264 HydrophobicContact CG2-CH2 3.44Å; T188-W264 VanDerWaalsContact CG2-CH2 3.44Å; T188-W264 HydrophobicContact CG2-CZ2 4.22Å; T188-W264 HydrophobicContact CG2-CZ3 3.49Å; T188-W264 VanDerWaalsContact CG2-CZ3 3.49Å; T188-F286 HydrophobicContact CG2-CE1 4.31Å; T188-F286 HydrophobicContact CG2-CZ 3.87Å
189S97.3Very high94.9Very high1 Ų135.1 Ų35.11%0.00720%0.202CC..  trans-63.3131.2177-176.40000110.8H125 G126 G127 E129 A130 S187 D295H125-S189 WeakPolarHBondContact O-CA 3.35Å; G126-S189 PolarHBondContact O-N 2.89Å; G127-S189 VanDerWaalsContact C-OG 3.26Å; G127-S189 PolarHBondContact O-OG 2.79Å; E129-S189 PolarHBondContact N-OG 2.95Å; E129-S189 VanDerWaalsContact OE2-CB 3.27Å; E129-S189 WeakPolarHBondContact OE2-CB 3.16Å; A130-S189 VanDerWaalsContact CB-OG 3.27Å; A130-S189 WeakPolarHBondContact CB-OG 3.33Å; A130-S189 PolarHBondContact N-OG 2.76Å; S187-S189 WeakPolarHBondContact OG-CB 3.37Å; S187-S189 PolarHBondContact OG-N 2.89Å; S187-S189 VanDerWaalsContact OG-N 3.09Å; S189-D295 PolarHBondContact O-N 3.36Å
190G98.3Very high94.6Very high0 Ų032.1 Ų32.10%019%0.185CC..EExtended strand (participates in β ladder)trans-144.7172.8170.600000109.5H125 T188 L293H125-G190 VanDerWaalsContact CE1-C 3.43Å; H125-G190 PolarHBondContact N-O 2.88Å; H125-G190 WeakPolarHBondContact NE2-CA 3.32Å; H125-G190 PolarHBondContact O-N 3.38Å; H125-G190 VanDerWaalsContact O-O 3.1Å; T188-G190 PolarHBondContact O-N 2.84Å; G190-L293 CarbonylContact C-O 3.51Å; G190-L293 WeakPolarHBondContact CA-O 3.41Å
191T98.6Very high94.5Very high0 Ų027.2 Ų27.20%017%0.166CC..EExtended strand (participates in β ladder)trans-155.6146.4-179.8-169.40000111.3D123 A130 A134 A292 L293D123-T191 CarbonylContact O-C 3.53Å; D123-T191 WeakPolarHBondContact O-CA 3.26Å; D123-T191 WeakPolarHBondContact O-CB 3.44Å; D123-T191 PolarHBondContact O-OG1 2.84Å; A130-T191 HydrophobicContact CB-CG2 4.15Å; A134-T191 HydrophobicContact CB-CG2 4.07Å; T191-A292 CarbonylContact O-C 3.48Å; T191-A292 WeakPolarHBondContact O-CA 3.32Å; T191-A292 WeakPolarHBondContact O-CB 3.31Å; T191-L293 HydrophobicContact CG2-CB 3.88Å; T191-L293 PolarHBondContact N-O 3.49Å; T191-L293 PolarHBondContact O-N 3.48Å
192T98.6Very high94.7Very high1 Ų129 Ų291%0.00617%0.17CC..  trans-65.2166.4160.578.10000109.3D123 V208 S211D123-T192 HydrophobicContact CB-CG2 3.85Å; D123-T192 VanDerWaalsContact CB-OG1 3.28Å; D123-T192 WeakPolarHBondContact CB-OG1 3.23Å; D123-T192 PolarHBondContact N-OG1 2.98Å; D123-T192 PolarHBondContact O-N 2.83Å; T192-V208 WeakPolarHBondContact CA-O 3.34Å; T192-V208 WeakPolarHBondContact CB-O 3.12Å; T192-S211 WeakPolarHBondContact CB-OG 3.33Å; T192-S211 PolarHBondContact OG1-OG 3.38Å
193A98.7Very high95.1Very high0 Ų020 Ų200%012%0.122CC..EExtended strand (participates in β ladder)trans-148.9115.5164.300000108.5F122 L138 F164 H207 V208 L293F122-A193 HydrophobicContact CD1-CB 3.69Å; F122-A193 HydrophobicContact CE1-CB 3.7Å; L138-A193 HydrophobicContact CD2-CB 4.44Å; F164-A193 HydrophobicContact CE1-CB 3.79Å; F164-A193 HydrophobicContact CZ-CB 4.3Å; A193-H207 CarbonylContact O-C 3.59Å; A193-H207 VanDerWaalsContact O-CA 3.29Å; A193-H207 WeakPolarHBondContact O-CA 3.23Å; A193-V208 HydrophobicContact CB-CG2 3.98Å; A193-V208 PolarHBondContact N-O 3.32Å; A193-V208 PolarHBondContact O-N 3.09Å; A193-L293 HydrophobicContact CB-CD1 3.93Å; A193-L293 HydrophobicContact CB-CG 4.43Å
194S98.8Very high95.7Very high0 Ų016.7 Ų16.70%010%0.102CC..EExtended strand (participates in β ladder)trans-116.2109.2174.1-84.10000109.3A120 V121 H207 S211A120-S194 WeakPolarHBondContact CA-O 3.25Å; V121-S194 PolarHBondContact N-O 3.4Å; V121-S194 PolarHBondContact O-N 3.37Å; S194-H207 PolarHBondContact OG-ND1 2.73Å; S194-S211 PolarHBondContact OG-O 2.95Å
195V98.8Very high96.1Very high1 Ų114.5 Ų14.51%0.0068%0.079CC..EExtended strand (participates in β ladder)trans-118.8135.2-167.6174.50000110.6F118 F119 A120 L138 F164 V197 V205 A206F118-V195 HydrophobicContact CD2-CG1 3.78Å; F118-V195 HydrophobicContact CE2-CB 4.46Å; F118-V195 HydrophobicContact CE2-CG1 3.42Å; F118-V195 VanDerWaalsContact CE2-CG1 3.42Å; F118-V195 HydrophobicContact CE2-CG2 4.17Å; F118-V195 HydrophobicContact CZ-CG1 4.21Å; F118-V195 HydrophobicContact CZ-CG2 4.26Å; F119-V195 CarbonylContact O-C 3.44Å; F119-V195 WeakPolarHBondContact O-CA 3.01Å; A120-V195 HydrophobicContact CB-CG2 3.96Å; L138-V195 HydrophobicContact CD2-CG2 4.04Å; F164-V195 HydrophobicContact CE2-CG2 4.19Å; F164-V195 HydrophobicContact CZ-CB 4.17Å; F164-V195 HydrophobicContact CZ-CG2 3.71Å; V195-V197 HydrophobicContact CG1-CG2 4.02Å; V195-V205 WeakPolarHBondContact O-CA 3.18Å; V195-A206 HydrophobicContact CB-CB 4.45Å; V195-A206 PolarHBondContact N-O 2.84Å; V195-A206 PolarHBondContact O-N 2.91Å
196V98.6Very high96.5Very high0 Ų012.4 Ų12.40%07%0.068CC..EExtended strand (participates in β ladder)trans-118128.9166.8169.20000109.1F119 L198 M203 Y204 I213 I327 L329F119-V196 HydrophobicContact CB-CB 4.39Å; F119-V196 HydrophobicContact CD2-CG1 4.29Å; F119-V196 PolarHBondContact N-O 2.94Å; F119-V196 PolarHBondContact O-N 2.59Å; V196-L198 HydrophobicContact CG1-CD2 3.67Å; V196-L198 HydrophobicContact CG1-CG 3.98Å; V196-M203 HydrophobicContact CG1-CG 3.81Å; V196-M203 HydrophobicContact CG1-SD 4.16Å; V196-Y204 WeakPolarHBondContact CA-O 3.23Å; V196-I213 HydrophobicContact CG2-CD1 3.95Å; V196-I213 HydrophobicContact CG2-CG2 4.01Å; V196-I327 HydrophobicContact CG2-CG2 4.25Å; V196-L329 HydrophobicContact CB-CD2 4.23Å; V196-L329 HydrophobicContact CG2-CD1 4.2Å; V196-L329 HydrophobicContact CG2-CD2 3.88Å; V196-L329 HydrophobicContact CG2-CG 4.13Å
197V98.3Very high96.8Very high2 Ų29.1 Ų9.11%0.0125%0.047CC..EExtended strand (participates in β ladder)trans-116.5119.5169.6-175.40000109.1V116 A117 F118 W139 F148 V195 Y204V116-V197 HydrophobicContact CG1-CG1 3.5Å; V116-V197 VanDerWaalsContact CG1-CG1 3.5Å; A117-V197 CarbonylContact O-C 3.55Å; A117-V197 WeakPolarHBondContact O-CA 3.4Å; F118-V197 HydrophobicContact CD2-CG2 4.01Å; W139-V197 HydrophobicContact CZ3-CG1 4.3Å; W139-V197 HydrophobicContact CZ3-CG2 4.3Å; F148-V197 HydrophobicContact CE2-CG1 4.49Å; F148-V197 HydrophobicContact CZ-CG1 4.13Å; V195-V197 HydrophobicContact CG1-CG2 4.02Å; V197-Y204 PolarHBondContact N-O 2.99Å; V197-Y204 PolarHBondContact O-N 3.47Å
198L95.9Very high96.9Very high0 Ų08.8 Ų8.80%04%0.044CC..EExtended strand (participates in β ladder)trans-101117.6176.7-58.6-173.1000110M7 V116 A117 F119 V196 R202 M203 L319 I327 L409M7-L198 HydrophobicContact CE-CD1 3.58Å; M7-L198 HydrophobicContact SD-CD1 3.7Å; V116-L198 WeakPolarHBondContact CA-O 3.42Å; A117-L198 PolarHBondContact N-O 3.18Å; A117-L198 PolarHBondContact O-N 3.29Å; F119-L198 HydrophobicContact CD2-CG 4.5Å; F119-L198 HydrophobicContact CE2-CD1 3.79Å; F119-L198 HydrophobicContact CE2-CG 4.03Å; V196-L198 HydrophobicContact CG1-CD2 3.67Å; V196-L198 HydrophobicContact CG1-CG 3.98Å; L198-R202 WeakPolarHBondContact CA-O 3.14Å; L198-M203 HydrophobicContact CD2-CB 3.68Å; L198-M203 HydrophobicContact CD2-CG 3.69Å; L198-M203 HydrophobicContact CD2-SD 4.45Å; L198-L319 HydrophobicContact CD2-CD1 3.95Å; L198-I327 HydrophobicContact CD2-CD1 4.31Å; L198-L409 HydrophobicContact CB-CD1 3.96Å
199R91.8Very high97.1Very high27 Ų278.1 Ų8.110%0.1024%0.04CC..EExtended strand (participates in β ladder)trans-132.7112.9176.8-179.6172.9175.9-125.8-18.4109.6E32 V116 S150 D151 N201 R202 Y204E32-R199 WeakPolarHBondContact OE1-CD 3.34Å; E32-R199 VanDerWaalsContact OE1-CG 3.23Å; E32-R199 WeakPolarHBondContact OE1-CG 3.33Å; E32-R199 IonicContact OE1-CZ 2.68Å; E32-R199 IonicContact OE1-NE 3.27Å; E32-R199 PolarHBondContact OE1-NE 3.48Å; E32-R199 IonicContact OE1-NH2 3.39Å; V116-R199 HydrophobicContact CG2-CB 3.97Å; V116-R199 HydrophobicContact CG2-CG 3.81Å; S150-R199 PolarHBondContact O-NH1 3.07Å; D151-R199 IonicContact OD1-CZ 2.77Å; D151-R199 IonicContact OD1-NH1 3.13Å; D151-R199 PolarHBondContact OD1-NH1 3.49Å; D151-R199 IonicContact OD1-NH2 3.76Å; D151-R199 PolarHBondContact OD1-NH2 2.9Å; R199-N201 PolarHBondContact O-N 3.43Å; R199-R202 PolarHBondContact N-O 2.96Å; R199-R202 WeakPolarHBondContact O-CB 3.49Å; R199-R202 PolarHBondContact O-N 3.41Å; R199-Y204 HydrophobicContact CB-CE2 4.24Å
200G88.7Confident97.1Very high15 Ų158.6 Ų8.616%0.1554%0.043CC..THydrogen-bonded Turntrans59.4-123.9-169.400000110.5L5L5-G200 VanDerWaalsContact CD1-O 3.26Å; L5-G200 WeakPolarHBondContact CD1-O 3.46Å
201N91.1Very high97.1Very high45 Ų458.6 Ų8.624%0.2414%0.043CC..THydrogen-bonded Turntrans-96.810.4170.776.8-29000114.3R199 I318 L319R199-N201 PolarHBondContact O-N 3.43Å; N201-I318 WeakPolarHBondContact ND2-CG2 3.41Å; N201-L319 WeakPolarHBondContact O-CB 3.39Å; N201-L319 PolarHBondContact O-N 2.98Å
202R95.4Very high97.1Very high70 Ų709 Ų926%0.2645%0.045SC..EExtended strand (participates in β ladder)trans-94.7124.9-179-56.6178.8-178.6-90.59.8110.4D153 L198 R199 Y204 V316 I318D153-R202 IonicContact OD1-CZ 2.73Å; D153-R202 IonicContact OD1-NE 3.43Å; D153-R202 IonicContact OD1-NH1 3.57Å; D153-R202 PolarHBondContact OD1-NH1 3.28Å; D153-R202 IonicContact OD2-CZ 3.96Å; D153-R202 IonicContact OD2-NH1 3.11Å; D153-R202 PolarHBondContact OD2-NH1 3.01Å; D153-R202 IonicContact OD2-NH2 2.78Å; L198-R202 WeakPolarHBondContact CA-O 3.14Å; R199-R202 PolarHBondContact N-O 2.96Å; R199-R202 WeakPolarHBondContact O-CB 3.49Å; R199-R202 PolarHBondContact O-N 3.41Å; R202-Y204 HydrophobicContact CB-CD2 4.45Å; R202-Y204 HydrophobicContact CB-CE2 3.87Å; R202-Y204 VanDerWaalsContact CD-OH 3.25Å; R202-Y204 WeakPolarHBondContact CD-OH 3.47Å; R202-V316 HydrophobicContact CB-CG2 4.35Å; R202-I318 HydrophobicContact CG-CD1 4.04Å
203M97.6Very high97.1Very high0 Ų08.9 Ų8.90%05%0.045CC..EExtended strand (participates in β ladder)trans-101.1103.7168.7-179.817677.100109V196 L198 V205 L215 V316 V317 L319 I327V196-M203 HydrophobicContact CG1-CG 3.81Å; V196-M203 HydrophobicContact CG1-SD 4.16Å; L198-M203 HydrophobicContact CD2-CB 3.68Å; L198-M203 HydrophobicContact CD2-CG 3.69Å; L198-M203 HydrophobicContact CD2-SD 4.45Å; M203-V205 HydrophobicContact CE-CG2 4.02Å; M203-V205 HydrophobicContact CG-CG2 4.21Å; M203-L215 HydrophobicContact CE-CD1 4.13Å; M203-V316 CarbonylContact O-C 3.41Å; M203-V316 WeakPolarHBondContact O-CA 3.28Å; M203-V317 HydrophobicContact CB-CB 4.36Å; M203-V317 HydrophobicContact CE-CB 3.77Å; M203-V317 HydrophobicContact CE-CG1 4.24Å; M203-V317 HydrophobicContact CE-CG2 3.79Å; M203-V317 PolarHBondContact N-O 3.45Å; M203-V317 PolarHBondContact O-N 3.22Å; M203-L319 HydrophobicContact CB-CD1 3.99Å; M203-L319 HydrophobicContact CB-CD2 4.05Å; M203-L319 HydrophobicContact CB-CG 3.9Å; M203-L319 HydrophobicContact CE-CD2 4.5Å; M203-L319 HydrophobicContact SD-CD2 4.34Å; M203-I327 HydrophobicContact SD-CD1 3.55Å; M203-I327 VanDerWaalsContact SD-CD1 3.55Å; M203-I327 HydrophobicContact SD-CG1 3.83Å; M203-I327 HydrophobicContact SD-CG2 3.98Å
204Y98.7Very high97.1Very high1 Ų18.9 Ų8.90%0.0045%0.045CC..EExtended strand (participates in β ladder)trans-85.6134.5169-56.7-81.3000109.5D153 V156 I160 V196 V197 R199 R202 V316D153-Y204 HydrophobicContact CB-CE1 4.28Å; D153-Y204 PolarHBondContact OD1-OH 2.6Å; V156-Y204 HydrophobicContact CB-CD1 4.31Å; V156-Y204 HydrophobicContact CB-CE1 3.76Å; V156-Y204 HydrophobicContact CB-CE2 4.44Å; V156-Y204 HydrophobicContact CG1-CD1 4.03Å; V156-Y204 HydrophobicContact CG1-CD2 4.04Å; V156-Y204 HydrophobicContact CG1-CE1 3.81Å; V156-Y204 HydrophobicContact CG1-CE2 3.8Å; V156-Y204 HydrophobicContact CG1-CG 4.13Å; V156-Y204 HydrophobicContact CG2-CE1 4.35Å; I160-Y204 HydrophobicContact CD1-CG 4.22Å; V196-Y204 WeakPolarHBondContact CA-O 3.23Å; V197-Y204 PolarHBondContact N-O 2.99Å; V197-Y204 PolarHBondContact O-N 3.47Å; R199-Y204 HydrophobicContact CB-CE2 4.24Å; R202-Y204 HydrophobicContact CB-CD2 4.45Å; R202-Y204 HydrophobicContact CB-CE2 3.87Å; R202-Y204 VanDerWaalsContact CD-OH 3.25Å; R202-Y204 WeakPolarHBondContact CD-OH 3.47Å; Y204-V316 HydrophobicContact CD1-CB 3.82Å; Y204-V316 HydrophobicContact CD1-CG2 3.62Å; Y204-V316 HydrophobicContact CE1-CB 4.06Å; Y204-V316 HydrophobicContact CE1-CG2 3.62Å; Y204-V316 HydrophobicContact CG-CG2 4.33Å
205V98.8Very high97.1Very high3 Ų39.2 Ų9.22%0.0185%0.047CC..EExtended strand (participates in β ladder)trans-116.6137.6178.8177.50000108.8V195 M203 I213 V231 T232 T314 S315V195-V205 WeakPolarHBondContact O-CA 3.18Å; M203-V205 HydrophobicContact CE-CG2 4.02Å; M203-V205 HydrophobicContact CG-CG2 4.21Å; V205-I213 HydrophobicContact CG1-CD1 3.77Å; V205-V231 HydrophobicContact CG1-CG2 4.46Å; V205-V231 HydrophobicContact CG2-CG2 4.14Å; V205-T232 HydrophobicContact CG1-CG2 3.92Å; V205-T314 CarbonylContact O-C 3.5Å; V205-T314 VanDerWaalsContact O-CA 3.25Å; V205-T314 WeakPolarHBondContact O-CA 3.23Å; V205-S315 PolarHBondContact N-O 2.66Å; V205-S315 PolarHBondContact O-N 3.33Å
206A98.8Very high97Very high1 Ų19.2 Ų9.21%0.0085%0.046CC..EExtended strand (participates in β ladder)trans-140.2132.5170.500000110.6I160 F164 V195 P312 D313 T314I160-A206 HydrophobicContact CG2-CB 3.46Å; I160-A206 VanDerWaalsContact CG2-CB 3.46Å; F164-A206 HydrophobicContact CE2-CB 3.62Å; F164-A206 HydrophobicContact CZ-CB 3.61Å; V195-A206 HydrophobicContact CB-CB 4.45Å; V195-A206 PolarHBondContact N-O 2.84Å; V195-A206 PolarHBondContact O-N 2.91Å; A206-P312 HydrophobicContact CB-CB 4.19Å; A206-D313 WeakPolarHBondContact CA-O 3.5Å; A206-T314 HydrophobicContact CB-CG2 3.98Å
207H98.5Very high97Very high3 Ų39.8 Ų9.81%0.0145%0.05CC..EExtended strand (participates in β ladder)trans-141.9133.3-169.9170.758.7000113.4A193 S194 G209 S211 T232 Q233 H235 P312 D313A193-H207 CarbonylContact O-C 3.59Å; A193-H207 VanDerWaalsContact O-CA 3.29Å; A193-H207 WeakPolarHBondContact O-CA 3.23Å; S194-H207 PolarHBondContact OG-ND1 2.73Å; H207-G209 VanDerWaalsContact CE1-C 3.42Å; H207-G209 PolarHBondContact CE1-O 2.83Å; H207-G209 VanDerWaalsContact CE1-O 3.25Å; H207-G209 PolarHBondContact NE2-O 3.19Å; H207-S211 PolarHBondContact CE1-O 3.26Å; H207-S211 PolarHBondContact ND1-O 2.91Å; H207-T232 HydrophobicContact CB-CG2 3.6Å; H207-Q233 PolarHBondContact CD2-O 2.78Å; H207-Q233 PolarHBondContact NE2-O 3.4Å; H207-H235 AromaticContact CD2-CE1 3.24Å; H207-H235 PolarHBondContact CD2-CE1 2.82Å; H207-H235 AromaticContact CD2-ND1 3.32Å; H207-H235 PolarHBondContact CD2-ND1 3.42Å; H207-H235 VanDerWaalsContact CD2-ND1 3.32Å; H207-H235 AromaticContact NE2-CE1 3.6Å; H207-H235 AromaticContact NE2-ND1 3.12Å; H207-H235 PolarHBondContact NE2-ND1 2.92Å; H207-H235 VanDerWaalsContact NE2-ND1 3.12Å; H207-H235 PolarHBondContact O-CE1 2.9Å; H207-H235 VanDerWaalsContact O-CE1 3.23Å; H207-P312 VanDerWaalsContact O-CA 3.23Å; H207-P312 WeakPolarHBondContact O-CA 3.23Å; H207-P312 WeakPolarHBondContact O-CB 3.42Å; H207-D313 PolarHBondContact N-O 2.96Å; H207-D313 PolarHBondContact O-N 2.98Å
208V98.8Very high96.8Very high0 Ų011 Ų110%06%0.056CC..EExtended strand (participates in β ladder)trans-131.8149.9157.7-64.90000110.1F164 T192 A193 R291 L293 P312F164-V208 HydrophobicContact CD1-CG1 4.42Å; F164-V208 HydrophobicContact CD1-CG2 4.42Å; F164-V208 HydrophobicContact CE1-CG2 4.27Å; T192-V208 WeakPolarHBondContact CA-O 3.34Å; T192-V208 WeakPolarHBondContact CB-O 3.12Å; A193-V208 HydrophobicContact CB-CG2 3.98Å; A193-V208 PolarHBondContact N-O 3.32Å; A193-V208 PolarHBondContact O-N 3.09Å; V208-R291 HydrophobicContact CB-CB 3.98Å; V208-R291 HydrophobicContact CG1-CB 4.06Å; V208-L293 HydrophobicContact CG2-CG 4.29Å; V208-P312 HydrophobicContact CG1-CB 4.09Å
209G98.4Very high96.5Very high0 Ų016 Ų160%08%0.082CC..SBendtrans94-142.5-179.500000112.8H207 H235 R291H207-G209 VanDerWaalsContact CE1-C 3.42Å; H207-G209 PolarHBondContact CE1-O 2.83Å; H207-G209 VanDerWaalsContact CE1-O 3.25Å; H207-G209 PolarHBondContact NE2-O 3.19Å; G209-H235 PolarHBondContact N-ND1 2.76Å; G209-H235 WeakPolarHBondContact O-CB 3.03Å; G209-H235 PolarHBondContact O-N 3.04Å; G209-H235 PolarHBondContact O-ND1 2.72Å; G209-R291 VanDerWaalsContact CA-O 3.23Å; G209-R291 WeakPolarHBondContact CA-O 3.4Å; G209-R291 PolarHBondContact N-O 3.35Å
210D97.8Very high96.3Very high12 Ų1218.5 Ų18.56%0.06410%0.098CC..SBendtrans-141.512.8-177.151.5-0.1000114.4D234 K236 V289D210-D234 HydrophobicContact CB-CB 3.97Å; D210-K236 HydrophobicContact CB-CD 4.3Å; D210-K236 VanDerWaalsContact CB-NZ 3.29Å; D210-K236 IonicContact OD2-NZ 2.78Å; D210-K236 PolarHBondContact OD2-NZ 3.04Å; D210-V289 HydrophobicContact CB-CG1 3.93Å; D210-V289 WeakPolarHBondContact OD1-CG1 3.46Å; D210-V289 WeakPolarHBondContact OD2-CG1 3.48Å
211S98.1Very high96Very high0 Ų022.4 Ų22.40%012%0.12CC..  trans-68.7125.6156.8-49.90000109.1D123 T192 S194 H207 G330D123-S211 VanDerWaalsContact CB-OG 3.29Å; D123-S211 WeakPolarHBondContact CB-OG 3.44Å; T192-S211 WeakPolarHBondContact CB-OG 3.33Å; T192-S211 PolarHBondContact OG1-OG 3.38Å; S194-S211 PolarHBondContact OG-O 2.95Å; H207-S211 PolarHBondContact CE1-O 3.26Å; H207-S211 PolarHBondContact ND1-O 2.91Å; S211-G330 CarbonylContact C-O 3.43Å; S211-G330 VanDerWaalsContact CA-O 3.28Å; S211-G330 WeakPolarHBondContact CA-O 3.42Å; S211-G330 VanDerWaalsContact CB-O 3.25Å; S211-G330 WeakPolarHBondContact CB-O 3.32Å
212A98.2Very high95.8Very high7 Ų724.8 Ų24.86%0.05814%0.141CC..EExtended strand (participates in β ladder)trans-104.6162.1-172.600000114.3T232 G330 W335A212-T232 WeakPolarHBondContact CA-OG1 3.21Å; A212-G330 PolarHBondContact N-O 3.49Å; A212-G330 VanDerWaalsContact N-O 3.07Å; A212-G330 PolarHBondContact O-N 2.67Å; A212-G330 VanDerWaalsContact O-N 3.08Å; A212-W335 HydrophobicContact CB-CD2 4.31Å; A212-W335 HydrophobicContact CB-CG 4.09Å; A212-W335 PolarHBondContact O-NE1 3.19Å; A212-W335 VanDerWaalsContact O-NE1 3.16Å
213I98.8Very high95.4Very high0 Ų024.8 Ų24.80%015%0.148CC..EExtended strand (participates in β ladder)trans-123.8129.5173-53.2166.1000109V196 V205 V231 T232 I327 V328 L329V196-I213 HydrophobicContact CG2-CD1 3.95Å; V196-I213 HydrophobicContact CG2-CG2 4.01Å; V205-I213 HydrophobicContact CG1-CD1 3.77Å; I213-V231 HydrophobicContact CB-CG2 3.79Å; I213-V231 HydrophobicContact CG2-CG2 3.61Å; I213-V231 WeakPolarHBondContact O-CG2 3.45Å; I213-V231 PolarHBondContact O-N 2.9Å; I213-T232 HydrophobicContact CB-CG2 3.93Å; I213-T232 HydrophobicContact CD1-CG2 3.86Å; I213-T232 HydrophobicContact CG1-CG2 3.96Å; I213-T232 PolarHBondContact N-OG1 3.49Å; I213-I327 HydrophobicContact CG2-CG2 4Å; I213-V328 CarbonylContact C-O 3.45Å; I213-V328 WeakPolarHBondContact CA-O 3.34Å; I213-L329 HydrophobicContact CD1-CD2 4.38Å; I213-L329 HydrophobicContact CG1-CB 4.42Å; I213-L329 HydrophobicContact CG1-CD2 4.35Å; I213-L329 HydrophobicContact CG1-CG 4.06Å; I213-L329 HydrophobicContact CG2-CG 4.27Å
214V98.8Very high94.9Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-125.2130.9-176.1-179.90000110.2A228 E230 V328 W335 P340 I344V214-A228 HydrophobicContact CG1-CB 3.84Å; V214-E230 HydrophobicContact CG2-CG 4.19Å; V214-V328 PolarHBondContact N-O 3.36Å; V214-V328 PolarHBondContact O-N 2.96Å; V214-W335 HydrophobicContact CB-CH2 3.95Å; V214-W335 HydrophobicContact CG2-CE3 4.47Å; V214-W335 HydrophobicContact CG2-CH2 3.45Å; V214-W335 VanDerWaalsContact CG2-CH2 3.45Å; V214-W335 HydrophobicContact CG2-CZ2 3.9Å; V214-W335 HydrophobicContact CG2-CZ3 3.79Å; V214-P340 HydrophobicContact CG1-CB 3.97Å; V214-P340 HydrophobicContact CG2-CB 3.87Å; V214-P340 HydrophobicContact CG2-CG 4.11Å; V214-I344 HydrophobicContact CG1-CD1 4.16Å; V214-I344 HydrophobicContact CG1-CG1 3.97Å
215L98.6Very high94.7Very high7 Ų734.8 Ų34.84%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-100.1128.4175-173.772.3000109.8M203 V217 V229 V231 V317 L319 H324 I327M203-L215 HydrophobicContact CE-CD1 4.13Å; L215-V217 HydrophobicContact CB-CG2 4.48Å; L215-V217 HydrophobicContact CD2-CG2 3.77Å; L215-V217 HydrophobicContact CG-CG2 3.86Å; L215-V229 PolarHBondContact N-O 3.08Å; L215-V229 PolarHBondContact O-N 2.98Å; L215-V231 HydrophobicContact CB-CG1 3.88Å; L215-V231 HydrophobicContact CD2-CG1 4.49Å; L215-V317 HydrophobicContact CD2-CG1 4.21Å; L215-L319 HydrophobicContact CD1-CD2 4.3Å; L215-H324 HydrophobicContact CD1-CB 4.22Å; L215-I327 HydrophobicContact CD1-CG1 3.83Å
216G98.2Very high94.6Very high0 Ų034.9 Ų34.90%020%0.202CC..EExtended strand (participates in β ladder)trans-89113.817100000110.8H324 R325 Y326G216-H324 WeakPolarHBondContact O-CA 3.12Å; G216-R325 PolarHBondContact O-N 2.94Å; G216-Y326 PolarHBondContact N-O 2.94Å
217V97.3Very high94.5Very high13 Ų1339.6 Ų39.68%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-116.4122.2-174.3-172.90000110.9L215 K227 V229 K323L215-V217 HydrophobicContact CB-CG2 4.48Å; L215-V217 HydrophobicContact CD2-CG2 3.77Å; L215-V217 HydrophobicContact CG-CG2 3.86Å; V217-K227 PolarHBondContact N-O 2.88Å; V217-K227 WeakPolarHBondContact O-CB 3.46Å; V217-K227 PolarHBondContact O-N 3.33Å; V217-V229 HydrophobicContact CB-CG2 4.44Å; V217-V229 HydrophobicContact CG2-CB 4.35Å; V217-V229 HydrophobicContact CG2-CG2 3.84Å; V217-K323 CarbonylContact C-O 3.42Å; V217-K323 WeakPolarHBondContact CA-O 3.35Å
218Q95Very high94.5Very high28 Ų2840.2 Ų40.213%0.13123%0.229CC..  trans-105.598.9170.9-167.6173.46.300108.4D220 V223 I226 K323 R325Q218-D220 VanDerWaalsContact C-N 3.32Å; Q218-V223 PolarHBondContact NE2-O 3.18Å; Q218-I226 HydrophobicContact CB-CG1 4.25Å; Q218-I226 HydrophobicContact CG-CG1 4.46Å; Q218-K323 PolarHBondContact N-O 3.06Å; Q218-K323 WeakPolarHBondContact O-CA 3.47Å; Q218-R325 HydrophobicContact CB-CG 3.93Å
219D88.9Confident94.5Very high104 Ų10442.6 Ų42.656%0.55624%0.243SC*.SBendtrans-72-26.3-176.7-79.1-56.3000113.3
220D87.9Confident94.5Very high79 Ų7948.5 Ų48.542%0.42227%0.27SS..  trans-134.4112.8179.8-173.7-26.6000110Q218 S222 V223Q218-D220 VanDerWaalsContact C-N 3.32Å; D220-S222 VanDerWaalsContact CG-OG 3.27Å; D220-S222 PolarHBondContact O-N 3.18Å; D220-S222 VanDerWaalsContact OD1-CB 3.31Å; D220-S222 WeakPolarHBondContact OD1-CB 3.09Å; D220-S222 PolarHBondContact OD1-N 3.33Å; D220-S222 PolarHBondContact OD1-OG 3.39Å; D220-S222 PolarHBondContact OD2-OG 3.43Å; D220-V223 HydrophobicContact CB-CB 4.46Å; D220-V223 HydrophobicContact CB-CG2 4.08Å; D220-V223 PolarHBondContact O-N 2.78Å; D220-V223 VanDerWaalsContact O-O 3.13Å
221P83.3Confident94.5Very high97 Ų9749.4 Ų49.463%0.6328%0.276SS*.THydrogen-bonded Turntrans-62.4-17.5178.7-25.635.8000115.3V223P221-V223 VanDerWaalsContact C-N 3.29Å
222S86.3Confident94.5Very high96 Ų9650.1 Ų50.167%0.67128%0.281SS*.THydrogen-bonded Turntrans-78.4-14.1174.873.80000113.3D220D220-S222 VanDerWaalsContact CG-OG 3.27Å; D220-S222 PolarHBondContact O-N 3.18Å; D220-S222 VanDerWaalsContact OD1-CB 3.31Å; D220-S222 WeakPolarHBondContact OD1-CB 3.09Å; D220-S222 PolarHBondContact OD1-N 3.33Å; D220-S222 PolarHBondContact OD1-OG 3.39Å; D220-S222 PolarHBondContact OD2-OG 3.43Å
223V87.7Confident94.5Very high70 Ų7056.2 Ų56.242%0.42431%0.308SS..SBendtrans-104.5120.3176.6-172.30000108.9Q218 D220 P221 F225Q218-V223 PolarHBondContact NE2-O 3.18Å; D220-V223 HydrophobicContact CB-CB 4.46Å; D220-V223 HydrophobicContact CB-CG2 4.08Å; D220-V223 PolarHBondContact O-N 2.78Å; D220-V223 VanDerWaalsContact O-O 3.13Å; P221-V223 VanDerWaalsContact C-N 3.29Å; V223-F225 HydrophobicContact CG1-CB 3.85Å; V223-F225 PolarHBondContact O-N 2.93Å
224P86.6Confident94.4Very high98 Ų9858.6 Ų58.664%0.63632%0.321SS*.  trans-79.139.3178.835.1-37.5000112.1Q348P224-Q348 PolarHBondContact O-NE2 2.88Å
225F93.6Very high94.4Very high112 Ų11258.8 Ų58.849%0.49132%0.322SS..  trans-116.4112.8178.4177.3-103.3000110V223 K227V223-F225 HydrophobicContact CG1-CB 3.85Å; V223-F225 PolarHBondContact O-N 2.93Å; F225-K227 HydrophobicContact CD1-CB 4.48Å; F225-K227 HydrophobicContact CE1-CB 3.82Å; F225-K227 HydrophobicContact CE1-CG 4.37Å; F225-K227 HydrophobicContact CZ-CB 4.48Å
226I96.6Very high94.4Very high5 Ų560.9 Ų60.93%0.02633%0.331CS..  trans-98.9112.3176-51.8174.1000107.8Q218 R325 Y326 Q341 I344 Q348Q218-I226 HydrophobicContact CB-CG1 4.25Å; Q218-I226 HydrophobicContact CG-CG1 4.46Å; I226-R325 HydrophobicContact CD1-CB 3.94Å; I226-R325 HydrophobicContact CD1-CG 3.85Å; I226-R325 HydrophobicContact CG1-CG 4.26Å; I226-R325 HydrophobicContact CG2-CB 4.16Å; I226-R325 HydrophobicContact CG2-CG 4.24Å; I226-Y326 HydrophobicContact CD1-CD2 4.4Å; I226-Y326 HydrophobicContact CD1-CE2 3.69Å; I226-Y326 HydrophobicContact CG2-CD2 4.36Å; I226-Q341 PolarHBondContact O-NE2 2.63Å; I226-I344 HydrophobicContact CB-CG2 3.84Å; I226-I344 HydrophobicContact CG2-CG2 3.57Å; I226-I344 WeakPolarHBondContact O-CG2 3.48Å; I226-Q348 HydrophobicContact CD1-CB 4.18Å; I226-Q348 HydrophobicContact CD1-CG 3.91Å
227K97.8Very high94.4Very high100 Ų10060.9 Ų60.944%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-77.3133.4-179-177.9-172.8170.7-168.30110.5V217 F225 V229V217-K227 PolarHBondContact N-O 2.88Å; V217-K227 WeakPolarHBondContact O-CB 3.46Å; V217-K227 PolarHBondContact O-N 3.33Å; F225-K227 HydrophobicContact CD1-CB 4.48Å; F225-K227 HydrophobicContact CE1-CB 3.82Å; F225-K227 HydrophobicContact CE1-CG 4.37Å; F225-K227 HydrophobicContact CZ-CB 4.48Å; K227-V229 HydrophobicContact CD-CG2 4.35Å; K227-V229 HydrophobicContact CG-CG2 4.46Å
228A98.4Very high94.4Very high17 Ų1764 Ų6414%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-77.2135.8166.900000111.8V214 P340 Q341 I344V214-A228 HydrophobicContact CG1-CB 3.84Å; A228-P340 VanDerWaalsContact CB-C 3.43Å; A228-P340 HydrophobicContact CB-CB 3.92Å; A228-P340 WeakPolarHBondContact CB-O 3.35Å; A228-Q341 HydrophobicContact CB-CB 4.12Å; A228-I344 HydrophobicContact CB-CB 4.35Å; A228-I344 HydrophobicContact CB-CG1 3.78Å
229V98.3Very high94.5Very high50 Ų5065.3 Ų65.330%0.30335%0.352SS..EExtended strand (participates in β ladder)trans-130.5110.4172.4-179.60000108.2L215 V217 K227 V231L215-V229 PolarHBondContact N-O 3.08Å; L215-V229 PolarHBondContact O-N 2.98Å; V217-V229 HydrophobicContact CB-CG2 4.44Å; V217-V229 HydrophobicContact CG2-CB 4.35Å; V217-V229 HydrophobicContact CG2-CG2 3.84Å; K227-V229 HydrophobicContact CD-CG2 4.35Å; K227-V229 HydrophobicContact CG-CG2 4.46Å; V229-V231 PolarHBondContact O-N 2.82Å
230E98.1Very high95Very high123 Ų12365.2 Ų65.258%0.57536%0.357SS*.EExtended strand (participates in β ladder)trans-64.5123.1170.3-68.8153.4-110.400109.1V214 P340V214-E230 HydrophobicContact CG2-CG 4.19Å; E230-P340 HydrophobicContact CG-CB 4.17Å; E230-P340 HydrophobicContact CG-CG 3.81Å
231V97.4Very high95.4Very high31 Ų3166.9 Ų66.919%0.18836%0.36CS..  trans-102.9-3.3178.9-59.80000113V205 I213 L215 V229V205-V231 HydrophobicContact CG1-CG2 4.46Å; V205-V231 HydrophobicContact CG2-CG2 4.14Å; I213-V231 HydrophobicContact CB-CG2 3.79Å; I213-V231 HydrophobicContact CG2-CG2 3.61Å; I213-V231 WeakPolarHBondContact O-CG2 3.45Å; I213-V231 PolarHBondContact O-N 2.9Å; L215-V231 HydrophobicContact CB-CG1 3.88Å; L215-V231 HydrophobicContact CD2-CG1 4.49Å; V229-V231 PolarHBondContact O-N 2.82Å
232T98.2Very high96.1Very high16 Ų1662.4 Ų62.410%0.09833%0.331CS..  trans-117.9159.617250.80000110.5V205 H207 A212 I213V205-T232 HydrophobicContact CG1-CG2 3.92Å; H207-T232 HydrophobicContact CB-CG2 3.6Å; A212-T232 WeakPolarHBondContact CA-OG1 3.21Å; I213-T232 HydrophobicContact CB-CG2 3.93Å; I213-T232 HydrophobicContact CD1-CG2 3.86Å; I213-T232 HydrophobicContact CG1-CG2 3.96Å; I213-T232 PolarHBondContact N-OG1 3.49Å
233Q97.9Very high96.7Very high134 Ų13463.4 Ų63.463%0.62632%0.32SS*.  trans-126.6127.3167.7166.8167.494.200108.7H207 H235 L239H207-Q233 PolarHBondContact CD2-O 2.78Å; H207-Q233 PolarHBondContact NE2-O 3.4Å; Q233-H235 PolarHBondContact O-N 3.23Å; Q233-L239 HydrophobicContact CG-CD1 4.36Å
234D98Very high97.2Very high51 Ų5167.2 Ų67.227%0.27333%0.333SS..  trans-54.1134178.1-59.917.1000112.5D210 K236 L239D210-D234 HydrophobicContact CB-CB 3.97Å; D234-K236 HydrophobicContact CB-CD 4.16Å; D234-K236 HydrophobicContact CB-CG 3.78Å; D234-K236 PolarHBondContact O-N 3.17Å; D234-K236 WeakPolarHBondContact OD2-CE 3.37Å; D234-K236 IonicContact OD2-NZ 3.53Å; D234-K236 PolarHBondContact OD2-NZ 3.42Å; D234-L239 WeakPolarHBondContact O-CD1 3.43Å
235H98.6Very high97.8Very high4 Ų465.3 Ų65.32%0.01931%0.313CS..  trans-82.558.5175.4-64.390.5000111.7H207 G209 Q233 E242 V289 A290 R291 D313H207-H235 AromaticContact CD2-CE1 3.24Å; H207-H235 PolarHBondContact CD2-CE1 2.82Å; H207-H235 AromaticContact CD2-ND1 3.32Å; H207-H235 PolarHBondContact CD2-ND1 3.42Å; H207-H235 VanDerWaalsContact CD2-ND1 3.32Å; H207-H235 AromaticContact NE2-CE1 3.6Å; H207-H235 AromaticContact NE2-ND1 3.12Å; H207-H235 PolarHBondContact NE2-ND1 2.92Å; H207-H235 VanDerWaalsContact NE2-ND1 3.12Å; H207-H235 PolarHBondContact O-CE1 2.9Å; H207-H235 VanDerWaalsContact O-CE1 3.23Å; G209-H235 PolarHBondContact N-ND1 2.76Å; G209-H235 WeakPolarHBondContact O-CB 3.03Å; G209-H235 PolarHBondContact O-N 3.04Å; G209-H235 PolarHBondContact O-ND1 2.72Å; Q233-H235 PolarHBondContact O-N 3.23Å; H235-E242 IonicContact CD2-OE1 3.69Å; H235-V289 CarbonylContact O-C 3.6Å; H235-A290 HydrophobicContact CB-CB 4.46Å; H235-A290 VanDerWaalsContact O-CB 3.26Å; H235-A290 WeakPolarHBondContact O-CB 3.47Å; H235-A290 PolarHBondContact O-N 3.16Å; H235-R291 HydrophobicContact CB-CB 3.97Å; H235-R291 HydrophobicContact CB-CG 4.14Å; H235-R291 VanDerWaalsContact CD2-CD 3.46Å; H235-R291 WeakPolarHBondContact CD2-CD 3.32Å; H235-R291 PolarHBondContact CD2-NE 3.1Å; H235-R291 PolarHBondContact CD2-NH2 2.87Å; H235-R291 PolarHBondContact NE2-NE 3.28Å; H235-R291 PolarHBondContact NE2-NH1 2.9Å; H235-R291 PolarHBondContact NE2-NH2 3.06Å; H235-D313 IonicContact NE2-OD2 3.29Å
236K98Very high98Very high50 Ų5060 Ų6022%0.21729%0.29CS..  trans-75.8133.9-179.7-55-67.4-179.1178.10111.7D210 D234 E238 L239D210-K236 HydrophobicContact CB-CD 4.3Å; D210-K236 VanDerWaalsContact CB-NZ 3.29Å; D210-K236 IonicContact OD2-NZ 2.78Å; D210-K236 PolarHBondContact OD2-NZ 3.04Å; D234-K236 HydrophobicContact CB-CD 4.16Å; D234-K236 HydrophobicContact CB-CG 3.78Å; D234-K236 PolarHBondContact O-N 3.17Å; D234-K236 WeakPolarHBondContact OD2-CE 3.37Å; D234-K236 IonicContact OD2-NZ 3.53Å; D234-K236 PolarHBondContact OD2-NZ 3.42Å; K236-E238 WeakPolarHBondContact CB-OE2 3.33Å; K236-E238 PolarHBondContact O-N 2.96Å; K236-L239 HydrophobicContact CB-CG 4.4Å; K236-L239 WeakPolarHBondContact O-CB 3.31Å; K236-L239 WeakPolarHBondContact O-CG 3.41Å; K236-L239 PolarHBondContact O-N 3.04Å
237P98.3Very high98Very high0 Ų064.1 Ų64.10%031%0.309CS..THydrogen-bonded Turntrans-58.7-19.4-174.9-28.435.8000117R243 I246 V253 V262 A288 A290P237-R243 WeakPolarHBondContact O-CB 3.28Å; P237-I246 HydrophobicContact CB-CD1 4.35Å; P237-V253 HydrophobicContact CB-CG1 3.72Å; P237-V253 HydrophobicContact CB-CG2 3.92Å; P237-V262 HydrophobicContact CB-CG2 4.17Å; P237-V262 HydrophobicContact CG-CG2 3.78Å; P237-A288 WeakPolarHBondContact CD-O 3.43Å; P237-A290 HydrophobicContact CG-CB 4.37Å
238E97.1Very high98Very high80 Ų8062.6 Ų62.637%0.37432%0.322SS..THydrogen-bonded Turntrans-81.9-13175.956.3-96.8-99.100114.9K236 N260K236-E238 WeakPolarHBondContact CB-OE2 3.33Å; K236-E238 PolarHBondContact O-N 2.96Å; E238-N260 HydrophobicContact CB-CB 4.16Å; E238-N260 VanDerWaalsContact CD-ND2 3.33Å; E238-N260 PolarHBondContact OE1-ND2 3.18Å
239L98.1Very high97.9Very high55 Ų5563.7 Ų63.729%0.28833%0.325SS..SBendtrans-63.4134.9178-67.5-177.8000110.3Q233 D234 K236 K241 E242 R243Q233-L239 HydrophobicContact CG-CD1 4.36Å; D234-L239 WeakPolarHBondContact O-CD1 3.43Å; K236-L239 HydrophobicContact CB-CG 4.4Å; K236-L239 WeakPolarHBondContact O-CB 3.31Å; K236-L239 WeakPolarHBondContact O-CG 3.41Å; K236-L239 PolarHBondContact O-N 3.04Å; L239-K241 PolarHBondContact O-N 2.97Å; L239-E242 PolarHBondContact O-N 3.48Å; L239-R243 PolarHBondContact O-N 3.47Å
240P98.2Very high97.6Very high101 Ų10163.3 Ų63.366%0.65633%0.331SS*.Hα-helixtrans-52.5-47.4-172.8-30.135.8000114.4E242 R243 E244P240-E242 PolarHBondContact O-N 2.91Å; P240-R243 PolarHBondContact O-N 3.28Å; P240-E244 VanDerWaalsContact O-CB 3.23Å; P240-E244 WeakPolarHBondContact O-CB 3.38Å; P240-E244 PolarHBondContact O-N 3.11Å
241K97.5Very high97.5Very high114 Ų11457.8 Ų57.850%0.49631%0.307SS..Hα-helixtrans-54-48.2175.9173.4-173.8169-174.20112.3L239 R245 R291 D313L239-K241 PolarHBondContact O-N 2.97Å; K241-R245 WeakPolarHBondContact O-CB 3.47Å; K241-R245 PolarHBondContact O-N 3.06Å; K241-R291 VanDerWaalsContact CE-NH2 3.29Å; K241-D313 IonicContact NZ-OD1 3.33Å; K241-D313 PolarHBondContact NZ-OD1 3.17Å; K241-D313 IonicContact NZ-OD2 2.78Å; K241-D313 PolarHBondContact NZ-OD2 3.42Å
242E98.5Very high97.5Very high4 Ų457.7 Ų57.72%0.01931%0.308CS..Hα-helixtrans-77-38.2-176.5-62.7-53.8139.500111.9H235 L239 P240 R245 I246 A290 R291H235-E242 IonicContact CD2-OE1 3.69Å; L239-E242 PolarHBondContact O-N 3.48Å; P240-E242 PolarHBondContact O-N 2.91Å; E242-R245 PolarHBondContact O-N 3.49Å; E242-R245 IonicContact OE2-CZ 3.92Å; E242-R245 VanDerWaalsContact OE2-CZ 3.29Å; E242-R245 IonicContact OE2-NE 3.66Å; E242-R245 PolarHBondContact OE2-NE 3.24Å; E242-R245 IonicContact OE2-NH2 2.66Å; E242-R245 PolarHBondContact OE2-NH2 3.32Å; E242-I246 WeakPolarHBondContact O-CB 3.49Å; E242-I246 WeakPolarHBondContact O-CD1 3.25Å; E242-I246 VanDerWaalsContact O-CG1 3.23Å; E242-I246 WeakPolarHBondContact O-CG1 3.29Å; E242-I246 PolarHBondContact O-N 3.12Å; E242-A290 HydrophobicContact CB-CB 3.72Å; E242-A290 HydrophobicContact CG-CB 3.96Å; E242-R291 IonicContact OE1-CZ 2.73Å; E242-R291 IonicContact OE1-NE 2.73Å; E242-R291 PolarHBondContact OE1-NE 3Å; E242-R291 VanDerWaalsContact OE1-NE 3.11Å; E242-R291 IonicContact OE1-NH2 2.6Å; E242-R291 PolarHBondContact OE1-NH2 3.38Å; E242-R291 IonicContact OE2-NE 2.86Å; E242-R291 PolarHBondContact OE2-NE 3.42Å
243R98.4Very high97.5Very high117 Ų11758 Ų5844%0.44231%0.31SS..Hα-helixtrans-66.3-43.1177-154.5-173.877.5-138.5-1.4111.7P237 L239 P240 I246 E247 V253P237-R243 WeakPolarHBondContact O-CB 3.28Å; L239-R243 PolarHBondContact O-N 3.47Å; P240-R243 PolarHBondContact O-N 3.28Å; R243-I246 PolarHBondContact O-N 2.89Å; R243-E247 WeakPolarHBondContact CD-OE1 3.13Å; R243-E247 HydrophobicContact CG-CG 4.24Å; R243-E247 IonicContact CZ-OE2 3.88Å; R243-E247 IonicContact NE-OE1 3.01Å; R243-E247 PolarHBondContact NE-OE1 3.07Å; R243-E247 IonicContact NE-OE2 3.35Å; R243-E247 PolarHBondContact NE-OE2 3.23Å; R243-E247 VanDerWaalsContact NE-OE2 3.07Å; R243-E247 IonicContact NH2-OE2 3.85Å; R243-E247 VanDerWaalsContact O-CB 3.32Å; R243-E247 WeakPolarHBondContact O-CB 3.37Å; R243-E247 VanDerWaalsContact O-CG 3.31Å; R243-E247 WeakPolarHBondContact O-CG 3.44Å; R243-E247 PolarHBondContact O-N 2.82Å; R243-V253 HydrophobicContact CG-CB 4.17Å; R243-V253 HydrophobicContact CG-CG2 3.87Å
244E98.3Very high97.4Very high149 Ų14954.8 Ų54.870%0.69630%0.296SS*.Hα-helixtrans-60.5-44175.1-176.9170.3-159.300111.4P240 G248P240-E244 VanDerWaalsContact O-CB 3.23Å; P240-E244 WeakPolarHBondContact O-CB 3.38Å; P240-E244 PolarHBondContact O-N 3.11Å; E244-G248 PolarHBondContact O-N 3.06Å
245R98.1Very high97.4Very high59 Ų5958.8 Ų58.822%0.22331%0.311CS..Hα-helixtrans-60.8-48.9173-174.3-174.76168.94.7112.1K241 E242 G248 L249 A290 V307K241-R245 WeakPolarHBondContact O-CB 3.47Å; K241-R245 PolarHBondContact O-N 3.06Å; E242-R245 PolarHBondContact O-N 3.49Å; E242-R245 IonicContact OE2-CZ 3.92Å; E242-R245 VanDerWaalsContact OE2-CZ 3.29Å; E242-R245 IonicContact OE2-NE 3.66Å; E242-R245 PolarHBondContact OE2-NE 3.24Å; E242-R245 IonicContact OE2-NH2 2.66Å; E242-R245 PolarHBondContact OE2-NH2 3.32Å; R245-G248 PolarHBondContact O-N 3.25Å; R245-L249 HydrophobicContact CG-CD1 4.2Å; R245-L249 WeakPolarHBondContact O-CG 3.35Å; R245-L249 PolarHBondContact O-N 3.24Å; R245-A290 PolarHBondContact NH2-O 3.47Å; R245-V307 PolarHBondContact NH1-O 3.25Å
246I98.4Very high97.2Very high0 Ų063.8 Ų63.80%033%0.333CS..Hα-helixtrans-61.4-46.8-179.9-74.8161.1000111.2P237 E242 R243 G251 V253 V262 A290 V307P237-I246 HydrophobicContact CB-CD1 4.35Å; E242-I246 WeakPolarHBondContact O-CB 3.49Å; E242-I246 WeakPolarHBondContact O-CD1 3.25Å; E242-I246 VanDerWaalsContact O-CG1 3.23Å; E242-I246 WeakPolarHBondContact O-CG1 3.29Å; E242-I246 PolarHBondContact O-N 3.12Å; R243-I246 PolarHBondContact O-N 2.89Å; I246-G251 CarbonylContact O-C 3.51Å; I246-G251 WeakPolarHBondContact O-CA 3.49Å; I246-G251 PolarHBondContact O-N 3.34Å; I246-V253 HydrophobicContact CB-CG2 4.28Å; I246-V253 HydrophobicContact CD1-CG2 3.91Å; I246-V253 HydrophobicContact CG2-CG2 3.72Å; I246-V262 HydrophobicContact CD1-CG2 3.91Å; I246-A290 HydrophobicContact CD1-CB 3.76Å; I246-V307 HydrophobicContact CB-CG1 4.34Å; I246-V307 HydrophobicContact CG1-CG1 4.17Å; I246-V307 HydrophobicContact CG2-CG1 3.83Å
247E97.1Very high97Very high91 Ų9167.2 Ų67.243%0.42536%0.363SS..Hα-helixtrans-71.8-35.6-178.4-68.8173.516200111.2R243 G250R243-E247 WeakPolarHBondContact CD-OE1 3.13Å; R243-E247 HydrophobicContact CG-CG 4.24Å; R243-E247 IonicContact CZ-OE2 3.88Å; R243-E247 IonicContact NE-OE1 3.01Å; R243-E247 PolarHBondContact NE-OE1 3.07Å; R243-E247 IonicContact NE-OE2 3.35Å; R243-E247 PolarHBondContact NE-OE2 3.23Å; R243-E247 VanDerWaalsContact NE-OE2 3.07Å; R243-E247 IonicContact NH2-OE2 3.85Å; R243-E247 VanDerWaalsContact O-CB 3.32Å; R243-E247 WeakPolarHBondContact O-CB 3.37Å; R243-E247 VanDerWaalsContact O-CG 3.31Å; R243-E247 WeakPolarHBondContact O-CG 3.44Å; R243-E247 PolarHBondContact O-N 2.82Å; E247-G250 PolarHBondContact O-N 3.47Å
248G96.8Very high96.8Very high68 Ų6869.8 Ų69.870%0.70139%0.389SS*.Hα-helixtrans-66.1-35.2175.100000114.4E244 R245 G250E244-G248 PolarHBondContact O-N 3.06Å; R245-G248 PolarHBondContact O-N 3.25Å; G248-G250 PolarHBondContact O-N 3.41Å
249L96Very high96.8Very high40 Ų4068.9 Ų68.921%0.20939%0.389CS..THydrogen-bonded Turntrans-79.214.4172.9-64.6176.7000113.3R245 G251 E305 V307R245-L249 HydrophobicContact CG-CD1 4.2Å; R245-L249 WeakPolarHBondContact O-CG 3.35Å; R245-L249 PolarHBondContact O-N 3.24Å; L249-G251 PolarHBondContact O-N 3.07Å; L249-E305 HydrophobicContact CD1-CB 4.25Å; L249-E305 HydrophobicContact CD2-CB 3.88Å; L249-E305 HydrophobicContact CD2-CG 4.26Å; L249-V307 HydrophobicContact CB-CG2 4.4Å
250G92.2Very high96.8Very high42 Ų4267.6 Ų67.643%0.43338%0.383SS..THydrogen-bonded Turntrans726.2-177.600000114.5E247 G248 K265E247-G250 PolarHBondContact O-N 3.47Å; G248-G250 PolarHBondContact O-N 3.41Å; G250-K265 PolarHBondContact O-NZ 2.86Å
251G96Very high96.8Very high7 Ų766.3 Ų66.37%0.07237%0.365CS..  trans-69.5-170.7168.400000112.6I246 L249 K265I246-G251 CarbonylContact O-C 3.51Å; I246-G251 WeakPolarHBondContact O-CA 3.49Å; I246-G251 PolarHBondContact O-N 3.34Å; L249-G251 PolarHBondContact O-N 3.07Å; G251-K265 PolarHBondContact O-NZ 3.03Å
252S97.1Very high96.8Very high29 Ų2960.9 Ų60.920%0.20334%0.341CS..  trans-159.2151.4175.5-58.40000110.7V263 K265S252-V263 WeakPolarHBondContact O-CB 3.42Å; S252-V263 WeakPolarHBondContact O-CG2 3.38Å; S252-V263 PolarHBondContact O-N 3.35Å; S252-K265 VanDerWaalsContact OG-CE 3.31Å; S252-K265 WeakPolarHBondContact OG-CE 3.2Å; S252-K265 PolarHBondContact OG-NZ 2.94Å
253V98Very high96.8Very high23 Ų2361 Ų6114%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-116.3130173.1-1790000109.6P237 R243 I246 N260 R261P237-V253 HydrophobicContact CB-CG1 3.72Å; P237-V253 HydrophobicContact CB-CG2 3.92Å; R243-V253 HydrophobicContact CG-CB 4.17Å; R243-V253 HydrophobicContact CG-CG2 3.87Å; I246-V253 HydrophobicContact CB-CG2 4.28Å; I246-V253 HydrophobicContact CD1-CG2 3.91Å; I246-V253 HydrophobicContact CG2-CG2 3.72Å; V253-N260 HydrophobicContact CG1-CB 3.96Å; V253-R261 WeakPolarHBondContact CA-O 3.27Å
254I97.5Very high96.6Very high66 Ų6656.3 Ų56.334%0.33832%0.324SS..EExtended strand (participates in β ladder)trans-130133.1179-68.3177000110.2R261 V263 P285I254-R261 PolarHBondContact N-O 3.13Å; I254-R261 PolarHBondContact O-N 3.17Å; I254-V263 HydrophobicContact CB-CG2 3.9Å; I254-V263 HydrophobicContact CD1-CG2 3.56Å; I254-V263 HydrophobicContact CG1-CG2 3.57Å; I254-P285 HydrophobicContact CB-CB 4.16Å; I254-P285 HydrophobicContact CB-CG 3.89Å; I254-P285 HydrophobicContact CD1-CG 4.44Å; I254-P285 HydrophobicContact CG2-CB 4.19Å; I254-P285 HydrophobicContact CG2-CG 3.61Å
255K97.1Very high96.3Very high136 Ų13653.1 Ų53.159%0.59131%0.308SS*.EExtended strand (participates in β ladder)trans-78.4118.9174.2-158.9165.9-169.81690111.2G258 V259 N260K255-G258 WeakPolarHBondContact CE-O 3.42Å; K255-V259 CarbonylContact C-O 3.57Å; K255-V259 WeakPolarHBondContact CA-O 3.32Å; K255-N260 WeakPolarHBondContact CB-OD1 3.36Å
256K95.4Very high95.9Very high109 Ų10952.1 Ų52.147%0.47431%0.305SS..EExtended strand (participates in β ladder)trans-129.3126.5178.2-177.3-175.5174.5-167.80109.5G258 V259 P285K256-G258 PolarHBondContact O-N 3.01Å; K256-V259 PolarHBondContact N-O 3.13Å; K256-V259 PolarHBondContact O-N 3.46Å; K256-V259 VanDerWaalsContact O-O 3.09Å; K256-P285 HydrophobicContact CB-CB 4Å; K256-P285 HydrophobicContact CB-CG 4.42Å; K256-P285 HydrophobicContact CD-CB 4.08Å; K256-P285 HydrophobicContact CD-CG 4.35Å
257S93.8Very high95.4Very high122 Ų12254 Ų5485%0.85332%0.317SS*.THydrogen-bonded Turntrans51.337.8-179.1-530000114.1V259S257-V259 VanDerWaalsContact C-N 3.32Å; S257-V259 PolarHBondContact O-N 2.9Å
258G94.1Very high94.9Very high53 Ų5355.6 Ų55.655%0.54632%0.319SS..THydrogen-bonded Turntrans87.8-19.3-178.900000115.6K255 K256K255-G258 WeakPolarHBondContact CE-O 3.42Å; K256-G258 PolarHBondContact O-N 3.01Å
259V95.8Very high94.3Very high61 Ų6157.1 Ų57.137%0.3731%0.31SS..EExtended strand (participates in β ladder)trans-98.4135.2-178.7-177.50000110.4K255 K256 S257 R261 A288K255-V259 CarbonylContact C-O 3.57Å; K255-V259 WeakPolarHBondContact CA-O 3.32Å; K256-V259 PolarHBondContact N-O 3.13Å; K256-V259 PolarHBondContact O-N 3.46Å; K256-V259 VanDerWaalsContact O-O 3.09Å; S257-V259 VanDerWaalsContact C-N 3.32Å; S257-V259 PolarHBondContact O-N 2.9Å; V259-R261 HydrophobicContact CG1-CG 4.17Å; V259-A288 HydrophobicContact CG1-CB 4.1Å
260N97.9Very high93.8Very high28 Ų2859.8 Ų59.815%0.1533%0.333CS..EExtended strand (participates in β ladder)trans-80.3135.5171.5-66.8-73.1000109.9E238 V253 K255E238-N260 HydrophobicContact CB-CB 4.16Å; E238-N260 VanDerWaalsContact CD-ND2 3.33Å; E238-N260 PolarHBondContact OE1-ND2 3.18Å; V253-N260 HydrophobicContact CG1-CB 3.96Å; K255-N260 WeakPolarHBondContact CB-OD1 3.36Å
261R98.4Very high93.4Very high75 Ų7560.6 Ų60.628%0.28333%0.325SS..EExtended strand (participates in β ladder)trans-136.1140.7-174.3-67.1-179.4178.2-94.8-9.9112.6V253 I254 V259 P285 F286 L287V253-R261 WeakPolarHBondContact CA-O 3.27Å; I254-R261 PolarHBondContact N-O 3.13Å; I254-R261 PolarHBondContact O-N 3.17Å; V259-R261 HydrophobicContact CG1-CG 4.17Å; R261-P285 HydrophobicContact CB-CB 4.05Å; R261-F286 WeakPolarHBondContact CD-O 3.44Å; R261-F286 PolarHBondContact NH1-O 3.23Å; R261-L287 CarbonylContact C-O 3.57Å; R261-L287 WeakPolarHBondContact CA-O 3.4Å; R261-L287 VanDerWaalsContact CB-O 3.25Å; R261-L287 WeakPolarHBondContact CB-O 3.2Å
262V98.3Very high92.5Very high0 Ų067.5 Ų67.50%036%0.36CS..EExtended strand (participates in β ladder)trans-63.6134.8168.1-171.60000108.6P237 I246 F286 L287 V289 W297 V307 V308P237-V262 HydrophobicContact CB-CG2 4.17Å; P237-V262 HydrophobicContact CG-CG2 3.78Å; I246-V262 HydrophobicContact CD1-CG2 3.91Å; V262-F286 PolarHBondContact O-N 3.43Å; V262-L287 HydrophobicContact CB-CB 4.49Å; V262-L287 PolarHBondContact N-O 3.4Å; V262-L287 PolarHBondContact O-N 3.46Å; V262-V289 VanDerWaalsContact CG2-O 3.23Å; V262-V289 WeakPolarHBondContact CG2-O 3.38Å; V262-W297 HydrophobicContact CB-CH2 4.48Å; V262-W297 HydrophobicContact CG1-CH2 4.15Å; V262-V307 HydrophobicContact CG1-CG1 3.83Å; V262-V308 HydrophobicContact CB-CG2 4.46Å; V262-V308 HydrophobicContact CG1-CG2 4.07Å; V262-V308 HydrophobicContact CG2-CG2 4.46Å
263V97.7Very high91.8Very high5 Ų568.9 Ų68.93%0.0338%0.378CS..EExtended strand (participates in β ladder)trans-88116-176.4176.80000110.6S252 I254 K265 Q283 I284S252-V263 WeakPolarHBondContact O-CB 3.42Å; S252-V263 WeakPolarHBondContact O-CG2 3.38Å; S252-V263 PolarHBondContact O-N 3.35Å; I254-V263 HydrophobicContact CB-CG2 3.9Å; I254-V263 HydrophobicContact CD1-CG2 3.56Å; I254-V263 HydrophobicContact CG1-CG2 3.57Å; V263-K265 HydrophobicContact CG1-CG 3.99Å; V263-K265 PolarHBondContact O-N 3.22Å; V263-Q283 HydrophobicContact CG1-CB 3.67Å; V263-Q283 HydrophobicContact CG1-CG 4.15Å; V263-I284 CarbonylContact C-O 3.6Å; V263-I284 WeakPolarHBondContact CA-O 3.44Å
264W95.1Very high91.2Very high19 Ų1972.6 Ų72.67%0.07240%0.403CS..EExtended strand (participates in β ladder)trans-71.1111.6163.3-174.914.9000109L185 T188 I284 F286 W297L185-W264 HydrophobicContact CB-CH2 4.47Å; L185-W264 HydrophobicContact CD1-CH2 3.8Å; L185-W264 HydrophobicContact CD1-CZ2 4.02Å; T188-W264 HydrophobicContact CG2-CE3 4.32Å; T188-W264 HydrophobicContact CG2-CH2 3.44Å; T188-W264 VanDerWaalsContact CG2-CH2 3.44Å; T188-W264 HydrophobicContact CG2-CZ2 4.22Å; T188-W264 HydrophobicContact CG2-CZ3 3.49Å; T188-W264 VanDerWaalsContact CG2-CZ3 3.49Å; W264-I284 HydrophobicContact CB-CB 4.47Å; W264-I284 PolarHBondContact N-O 3.41Å; W264-I284 PolarHBondContact O-N 2.98Å; W264-F286 HydrophobicContact CB-CB 3.92Å; W264-F286 HydrophobicContact CB-CG 4.16Å; W264-F286 AromaticContact CE3-CD2 3.92Å; W264-F286 HydrophobicContact CE3-CD2 3.92Å; W264-F286 HydrophobicContact CE3-CE1 4.44Å; W264-F286 AromaticContact CE3-CE2 3.8Å; W264-F286 HydrophobicContact CE3-CE2 3.8Å; W264-F286 HydrophobicContact CE3-CG 4.3Å; W264-F286 HydrophobicContact CE3-CZ 4.08Å; W264-F286 HydrophobicContact CZ3-CE2 4.03Å; W264-F286 HydrophobicContact CZ3-CZ 4.18Å; W264-W297 HydrophobicContact CB-CD2 4.45Å; W264-W297 HydrophobicContact CB-CE3 3.7Å; W264-W297 HydrophobicContact CB-CH2 4.43Å; W264-W297 HydrophobicContact CB-CZ3 3.7Å; W264-W297 AromaticContact CD1-CE3 3.4Å; W264-W297 VanDerWaalsContact CD1-CE3 3.4Å; W264-W297 HydrophobicContact CD2-CD2 4.42Å; W264-W297 HydrophobicContact CD2-CE3 4.29Å; W264-W297 HydrophobicContact CG-CD2 4.13Å; W264-W297 AromaticContact CG-CE3 3.55Å; W264-W297 HydrophobicContact CG-CE3 3.55Å; W264-W297 HydrophobicContact CG-CZ3 4.09Å; W264-W297 HydrophobicContact CZ2-CB 4.15Å
265K91.3Very high90.5Very high83 Ų8373.9 Ų73.936%0.36141%0.414SS..EExtended strand (participates in β ladder)trans-93.2115.8172.9-63.3-177.6-178.71790108.2G250 G251 S252 V263 I281 Q283G250-K265 PolarHBondContact O-NZ 2.86Å; G251-K265 PolarHBondContact O-NZ 3.03Å; S252-K265 VanDerWaalsContact OG-CE 3.31Å; S252-K265 WeakPolarHBondContact OG-CE 3.2Å; S252-K265 PolarHBondContact OG-NZ 2.94Å; V263-K265 HydrophobicContact CG1-CG 3.99Å; V263-K265 PolarHBondContact O-N 3.22Å; K265-I281 HydrophobicContact CB-CG2 3.95Å; K265-Q283 HydrophobicContact CG-CG 4.43Å
266R89.8Confident90Very high38 Ų3875.8 Ų75.814%0.14342%0.417CS..EExtended strand (participates in β ladder)trans-143.2152.3179.869.1-176.2-161.7-167.14.9112.6I281 D282 I284R266-I281 CarbonylContact O-C 3.52Å; R266-I281 WeakPolarHBondContact O-CA 3.36Å; R266-D282 PolarHBondContact N-O 2.95Å; R266-D282 VanDerWaalsContact N-O 3.11Å; R266-D282 PolarHBondContact O-N 3.19Å; R266-I284 HydrophobicContact CG-CD1 4.4Å; R266-I284 VanDerWaalsContact CZ-CD1 3.41Å
267P87.9Confident89.4Confident39 Ų3982 Ų8225%0.25344%0.438SS..EExtended strand (participates in β ladder)trans-54.1148.5168.4-23.834.3000111.9H271 V275 T279 I281P267-H271 HydrophobicContact CB-CB 4.02Å; P267-V275 HydrophobicContact CG-CG1 4.35Å; P267-V275 HydrophobicContact CG-CG2 3.5Å; P267-T279 HydrophobicContact CB-CG2 3.91Å; P267-T279 HydrophobicContact CG-CG2 4.27Å; P267-I281 HydrophobicContact CG-CD1 4.19Å
268R87.5Confident89Confident124 Ų12481.2 Ų81.247%0.46843%0.433SS..  trans-53.9145.4171.2-86.1-176.7173.2-152.9-13.1111.9S270 H271 V280 D282R268-S270 PolarHBondContact O-N 3.07Å; R268-H271 WeakPolarHBondContact O-CB 3.28Å; R268-H271 PolarHBondContact O-N 3.27Å; R268-V280 HydrophobicContact CG-CB 4.48Å; R268-V280 HydrophobicContact CG-CG1 4.24Å; R268-V280 PolarHBondContact N-O 2.92Å; R268-V280 VanDerWaalsContact N-O 3.08Å; R268-D282 WeakPolarHBondContact CG-OD1 3.25Å; R268-D282 VanDerWaalsContact CG-OD2 3.28Å; R268-D282 WeakPolarHBondContact CG-OD2 3.44Å; R268-D282 IonicContact CZ-OD1 2.76Å; R268-D282 VanDerWaalsContact CZ-OD1 3.29Å; R268-D282 IonicContact NE-OD1 3.98Å; R268-D282 PolarHBondContact NE-OD1 2.59Å; R268-D282 IonicContact NE-OD2 2.76Å; R268-D282 IonicContact NH2-OD1 3.32Å; R268-D282 PolarHBondContact NH2-OD1 2.81Å
269L84.1Confident88.7Confident100 Ų10079.5 Ų79.552%0.52441%0.412SS..THydrogen-bonded Turntrans-60.6-17178.1-67.5173.7000114T183 L185T183-L269 HydrophobicContact CG2-CD1 3.88Å; T183-L269 HydrophobicContact CG2-CD2 4.19Å; L185-L269 HydrophobicContact CD1-CD2 4.08Å; L185-L269 HydrophobicContact CG-CD2 4.41Å
270S84.8Confident88.4Confident97 Ų9780.7 Ų80.768%0.67842%0.419SS*.THydrogen-bonded Turntrans-89.8-1.5172.555.70000114.5R268 N272R268-S270 PolarHBondContact O-N 3.07Å; S270-N272 PolarHBondContact O-ND2 2.97Å
271H83.9Confident88.1Confident59 Ų5982.8 Ų82.827%0.27343%0.429SS..  trans-81.2119.2-179-178.1-89.5000111.3P267 R268 G273 T279P267-H271 HydrophobicContact CB-CB 4.02Å; R268-H271 WeakPolarHBondContact O-CB 3.28Å; R268-H271 PolarHBondContact O-N 3.27Å; H271-G273 PolarHBondContact CE1-O 3.16Å; H271-G273 PolarHBondContact ND1-O 2.89Å; H271-T279 WeakPolarHBondContact CD2-CG2 3.37Å; H271-T279 VanDerWaalsContact NE2-CG2 3.35Å; H271-T279 WeakPolarHBondContact NE2-CG2 3.3Å; H271-T279 PolarHBondContact NE2-OG1 2.87Å
272N78Confident87.8Confident152 Ų15281.1 Ų81.181%0.81343%0.426SS*.  trans-111.4136.4175.8-69.3-78000110.3S270S270-N272 PolarHBondContact O-ND2 2.97Å
273G82.2Confident87.6Confident57 Ų5786.6 Ų86.659%0.58845%0.451SS*.SBendtrans94.4-172.8179.700000115H271H271-G273 PolarHBondContact CE1-O 3.16Å; H271-G273 PolarHBondContact ND1-O 2.89Å
274P84.8Confident87.5Confident102 Ų10288.5 Ų88.566%0.66246%0.461SS*.  trans-66.3140.7-173.1-21.933.8000113.5
275V83.4Confident87.5Confident92 Ų9288.9 Ų88.956%0.55847%0.466SS*.  trans-67.6134175.9-172.70000110.2P267 T279 I281P267-V275 HydrophobicContact CG-CG1 4.35Å; P267-V275 HydrophobicContact CG-CG2 3.5Å; V275-T279 HydrophobicContact CG1-CG2 4.12Å; V275-I281 HydrophobicContact CG1-CD1 4.34Å
276R85.6Confident87.8Confident176 Ų17687.8 Ų87.866%0.66446%0.461SS*.  trans-129.8166.9178.6-63.2-178.4179.3-168.6-1.5110S278 T279R276-S278 PolarHBondContact O-N 3.04Å; R276-T279 PolarHBondContact N-OG1 3.08Å; R276-T279 VanDerWaalsContact O-CB 3.24Å; R276-T279 WeakPolarHBondContact O-CB 3.2Å; R276-T279 PolarHBondContact O-N 3.46Å; R276-T279 PolarHBondContact O-OG1 3.36Å
277R83.1Confident88.2Confident239 Ų23986.6 Ų86.690%0.90246%0.458SS*.THydrogen-bonded Turntrans-57.4-19.8173.9-63.3-178.3-174.4155.81.6114
278S86Confident88.6Confident107 Ų10786 Ų8675%0.74846%0.456SS*.THydrogen-bonded Turntrans-96.8-0.4175.861.20000114.2R276R276-S278 PolarHBondContact O-N 3.04Å
279T87.9Confident89.1Confident17 Ų1780.3 Ų80.310%0.10444%0.435CS..SBendtrans-68.6131.4176-67.80000109.4P267 H271 V275 R276 I281P267-T279 HydrophobicContact CB-CG2 3.91Å; P267-T279 HydrophobicContact CG-CG2 4.27Å; H271-T279 WeakPolarHBondContact CD2-CG2 3.37Å; H271-T279 VanDerWaalsContact NE2-CG2 3.35Å; H271-T279 WeakPolarHBondContact NE2-CG2 3.3Å; H271-T279 PolarHBondContact NE2-OG1 2.87Å; V275-T279 HydrophobicContact CG1-CG2 4.12Å; R276-T279 PolarHBondContact N-OG1 3.08Å; R276-T279 VanDerWaalsContact O-CB 3.24Å; R276-T279 WeakPolarHBondContact O-CB 3.2Å; R276-T279 PolarHBondContact O-N 3.46Å; R276-T279 PolarHBondContact O-OG1 3.36Å; T279-I281 HydrophobicContact CG2-CD1 4.02Å; T279-I281 PolarHBondContact O-N 3.15Å
280V89.3Confident89.8Confident86 Ų8675.5 Ų75.552%0.52141%0.41SS..  trans-73.3114.3175.1-174.10000109.3R268R268-V280 HydrophobicContact CG-CB 4.48Å; R268-V280 HydrophobicContact CG-CG1 4.24Å; R268-V280 PolarHBondContact N-O 2.92Å; R268-V280 VanDerWaalsContact N-O 3.08Å
281I90.5Very high90.5Very high72 Ų7271.2 Ų71.237%0.36938%0.379SS..EExtended strand (participates in β ladder)trans-94.6126177.8-58.2-59.2000109.2K265 R266 P267 V275 T279K265-I281 HydrophobicContact CB-CG2 3.95Å; R266-I281 CarbonylContact O-C 3.52Å; R266-I281 WeakPolarHBondContact O-CA 3.36Å; P267-I281 HydrophobicContact CG-CD1 4.19Å; V275-I281 HydrophobicContact CG1-CD1 4.34Å; T279-I281 HydrophobicContact CG2-CD1 4.02Å; T279-I281 PolarHBondContact O-N 3.15Å
282D93.1Very high91.2Very high39 Ų3968.4 Ų68.421%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-80.9143164.8-72.5-30.3000109.9R266 R268R266-D282 PolarHBondContact N-O 2.95Å; R266-D282 VanDerWaalsContact N-O 3.11Å; R266-D282 PolarHBondContact O-N 3.19Å; R268-D282 WeakPolarHBondContact CG-OD1 3.25Å; R268-D282 VanDerWaalsContact CG-OD2 3.28Å; R268-D282 WeakPolarHBondContact CG-OD2 3.44Å; R268-D282 IonicContact CZ-OD1 2.76Å; R268-D282 VanDerWaalsContact CZ-OD1 3.29Å; R268-D282 IonicContact NE-OD1 3.98Å; R268-D282 PolarHBondContact NE-OD1 2.59Å; R268-D282 IonicContact NE-OD2 2.76Å; R268-D282 IonicContact NH2-OD1 3.32Å; R268-D282 PolarHBondContact NH2-OD1 2.81Å
283Q94.1Very high92.2Very high115 Ų11561.2 Ų61.254%0.53733%0.327SS..EExtended strand (participates in β ladder)trans-113.5109.8176.5-68.6-168.565.600108.8V263 K265V263-Q283 HydrophobicContact CG1-CB 3.67Å; V263-Q283 HydrophobicContact CG1-CG 4.15Å; K265-Q283 HydrophobicContact CG-CG 4.43Å
284I94.6Very high92.9Very high46 Ų4658.5 Ų58.524%0.23630%0.299CS..EExtended strand (participates in β ladder)trans-112.8111.9-174.2-58172.8000108.4V263 W264 R266 F286V263-I284 CarbonylContact C-O 3.6Å; V263-I284 WeakPolarHBondContact CA-O 3.44Å; W264-I284 HydrophobicContact CB-CB 4.47Å; W264-I284 PolarHBondContact N-O 3.41Å; W264-I284 PolarHBondContact O-N 2.98Å; R266-I284 HydrophobicContact CG-CD1 4.4Å; R266-I284 VanDerWaalsContact CZ-CD1 3.41Å; I284-F286 HydrophobicContact CG2-CD2 4.29Å; I284-F286 WeakPolarHBondContact O-CB 3.37Å; I284-F286 PolarHBondContact O-N 3.46Å
285P96.6Very high93.5Very high26 Ų2653.6 Ų53.617%0.16927%0.268CS..EExtended strand (participates in β ladder)trans-65.1108.8170.6-16.630.3000108.5I254 K256 R261I254-P285 HydrophobicContact CB-CB 4.16Å; I254-P285 HydrophobicContact CB-CG 3.89Å; I254-P285 HydrophobicContact CD1-CG 4.44Å; I254-P285 HydrophobicContact CG2-CB 4.19Å; I254-P285 HydrophobicContact CG2-CG 3.61Å; K256-P285 HydrophobicContact CB-CB 4Å; K256-P285 HydrophobicContact CB-CG 4.42Å; K256-P285 HydrophobicContact CD-CB 4.08Å; K256-P285 HydrophobicContact CD-CG 4.35Å; R261-P285 HydrophobicContact CB-CB 4.05Å
286F96.6Very high94.2Very high60 Ų6049.5 Ų49.526%0.26324%0.243SC..EExtended strand (participates in β ladder)trans-116.7-78.1-159.4-168-106.6000111.6T188 R261 V262 W264 I284 W297T188-F286 HydrophobicContact CG2-CE1 4.31Å; T188-F286 HydrophobicContact CG2-CZ 3.87Å; R261-F286 WeakPolarHBondContact CD-O 3.44Å; R261-F286 PolarHBondContact NH1-O 3.23Å; V262-F286 PolarHBondContact O-N 3.43Å; W264-F286 HydrophobicContact CB-CB 3.92Å; W264-F286 HydrophobicContact CB-CG 4.16Å; W264-F286 AromaticContact CE3-CD2 3.92Å; W264-F286 HydrophobicContact CE3-CD2 3.92Å; W264-F286 HydrophobicContact CE3-CE1 4.44Å; W264-F286 AromaticContact CE3-CE2 3.8Å; W264-F286 HydrophobicContact CE3-CE2 3.8Å; W264-F286 HydrophobicContact CE3-CG 4.3Å; W264-F286 HydrophobicContact CE3-CZ 4.08Å; W264-F286 HydrophobicContact CZ3-CE2 4.03Å; W264-F286 HydrophobicContact CZ3-CZ 4.18Å; I284-F286 HydrophobicContact CG2-CD2 4.29Å; I284-F286 WeakPolarHBondContact O-CB 3.37Å; I284-F286 PolarHBondContact O-N 3.46Å; F286-W297 HydrophobicContact CD1-CD2 4.49Å; F286-W297 AromaticContact CD1-CE2 3.78Å; F286-W297 HydrophobicContact CD1-CH2 4.2Å; F286-W297 AromaticContact CD1-CZ2 3.63Å; F286-W297 HydrophobicContact CD1-CZ2 3.63Å; F286-W297 AromaticContact CE1-CE2 3.9Å; F286-W297 HydrophobicContact CE1-CZ2 4.17Å; F286-W297 AromaticContact CE1-NE1 3.74Å
287L97.6Very high94.7Very high13 Ų1342.8 Ų42.87%0.06822%0.217CC..EExtended strand (participates in β ladder)trans-89.7141.7-171.4-172.761.6000112.7H125 R261 V262 V289 D295 W297 V308H125-L287 VanDerWaalsContact NE2-CD1 3.32Å; H125-L287 WeakPolarHBondContact NE2-CD1 3.22Å; R261-L287 CarbonylContact C-O 3.57Å; R261-L287 WeakPolarHBondContact CA-O 3.4Å; R261-L287 VanDerWaalsContact CB-O 3.25Å; R261-L287 WeakPolarHBondContact CB-O 3.2Å; V262-L287 HydrophobicContact CB-CB 4.49Å; V262-L287 PolarHBondContact N-O 3.4Å; V262-L287 PolarHBondContact O-N 3.46Å; L287-V289 HydrophobicContact CD1-CG2 3.98Å; L287-V289 HydrophobicContact CD2-CG2 3.64Å; L287-V289 HydrophobicContact CG-CG2 3.7Å; L287-D295 HydrophobicContact CD2-CB 4.49Å; L287-D295 VanDerWaalsContact CD2-OD2 3.23Å; L287-D295 WeakPolarHBondContact CD2-OD2 3.48Å; L287-W297 HydrophobicContact CB-CH2 4.39Å; L287-W297 HydrophobicContact CB-CZ2 3.97Å; L287-W297 HydrophobicContact CD2-CZ2 4.2Å; L287-V308 HydrophobicContact CD2-CB 4.42Å; L287-V308 HydrophobicContact CD2-CG1 3.75Å; L287-V308 HydrophobicContact CD2-CG2 3.78Å
288A97.2Very high95.3Very high26 Ų2631.7 Ų31.722%0.21518%0.176CC..SBendtrans-91.4-7.2-178.700000114.6P237 V259P237-A288 WeakPolarHBondContact CD-O 3.43Å; V259-A288 HydrophobicContact CG1-CB 4.1Å
289V98.1Very high95.8Very high5 Ų529.9 Ų29.93%0.0315%0.154CC..  trans-109.8156.6171-65.10000111.8D210 H235 V262 L287 R291 A292D210-V289 HydrophobicContact CB-CG1 3.93Å; D210-V289 WeakPolarHBondContact OD1-CG1 3.46Å; D210-V289 WeakPolarHBondContact OD2-CG1 3.48Å; H235-V289 CarbonylContact O-C 3.6Å; V262-V289 VanDerWaalsContact CG2-O 3.23Å; V262-V289 WeakPolarHBondContact CG2-O 3.38Å; L287-V289 HydrophobicContact CD1-CG2 3.98Å; L287-V289 HydrophobicContact CD2-CG2 3.64Å; L287-V289 HydrophobicContact CG-CG2 3.7Å; V289-R291 WeakPolarHBondContact CG2-O 3.41Å; V289-A292 HydrophobicContact CG2-CB 4.35Å
290A98.5Very high96Very high0 Ų031 Ų310%016%0.159CC..SBendtrans-96-17.5177.800000113.6H235 P237 E242 R245 I246 V308 S309H235-A290 HydrophobicContact CB-CB 4.46Å; H235-A290 VanDerWaalsContact O-CB 3.26Å; H235-A290 WeakPolarHBondContact O-CB 3.47Å; H235-A290 PolarHBondContact O-N 3.16Å; P237-A290 HydrophobicContact CG-CB 4.37Å; E242-A290 HydrophobicContact CB-CB 3.72Å; E242-A290 HydrophobicContact CG-CB 3.96Å; R245-A290 PolarHBondContact NH2-O 3.47Å; I246-A290 HydrophobicContact CD1-CB 3.76Å; A290-V308 WeakPolarHBondContact O-CA 3.18Å; A290-S309 PolarHBondContact O-N 3.42Å
291R98.8Very high95.8Very high7 Ų734.8 Ų34.83%0.02617%0.169CC..BIsolated β-bridgetrans-137.1141179.6-61-154.2-149.6150.826.8110.4V208 G209 H235 K241 E242 V289 S309 E311 D313V208-R291 HydrophobicContact CB-CB 3.98Å; V208-R291 HydrophobicContact CG1-CB 4.06Å; G209-R291 VanDerWaalsContact CA-O 3.23Å; G209-R291 WeakPolarHBondContact CA-O 3.4Å; G209-R291 PolarHBondContact N-O 3.35Å; H235-R291 HydrophobicContact CB-CB 3.97Å; H235-R291 HydrophobicContact CB-CG 4.14Å; H235-R291 VanDerWaalsContact CD2-CD 3.46Å; H235-R291 WeakPolarHBondContact CD2-CD 3.32Å; H235-R291 PolarHBondContact CD2-NE 3.1Å; H235-R291 PolarHBondContact CD2-NH2 2.87Å; H235-R291 PolarHBondContact NE2-NE 3.28Å; H235-R291 PolarHBondContact NE2-NH1 2.9Å; H235-R291 PolarHBondContact NE2-NH2 3.06Å; K241-R291 VanDerWaalsContact CE-NH2 3.29Å; E242-R291 IonicContact OE1-CZ 2.73Å; E242-R291 IonicContact OE1-NE 2.73Å; E242-R291 PolarHBondContact OE1-NE 3Å; E242-R291 VanDerWaalsContact OE1-NE 3.11Å; E242-R291 IonicContact OE1-NH2 2.6Å; E242-R291 PolarHBondContact OE1-NH2 3.38Å; E242-R291 IonicContact OE2-NE 2.86Å; E242-R291 PolarHBondContact OE2-NE 3.42Å; V289-R291 WeakPolarHBondContact CG2-O 3.41Å; R291-S309 CarbonylContact C-O 3.58Å; R291-S309 WeakPolarHBondContact CA-O 2.9Å; R291-S309 WeakPolarHBondContact CB-O 3.44Å; R291-E311 VanDerWaalsContact CD-O 3.23Å; R291-E311 WeakPolarHBondContact CD-O 3.23Å; R291-E311 PolarHBondContact NH1-O 2.86Å; R291-D313 IonicContact CZ-OD1 3.68Å; R291-D313 IonicContact CZ-OD2 2.59Å; R291-D313 IonicContact NH1-OD1 3.79Å; R291-D313 PolarHBondContact NH1-OD1 3.42Å; R291-D313 IonicContact NH1-OD2 2.72Å; R291-D313 VanDerWaalsContact NH2-CG 3.33Å; R291-D313 IonicContact NH2-OD1 2.78Å; R291-D313 PolarHBondContact NH2-OD1 2.9Å; R291-D313 IonicContact NH2-OD2 2.76Å; R291-D313 PolarHBondContact NH2-OD2 3.42Å; R291-D313 VanDerWaalsContact NH2-OD2 3.13Å
292A98.7Very high95.7Very high0 Ų040.3 Ų40.30%019%0.186CC..  trans-167160.6-177.100000110.8T191 V289 D295 V308 S309 P310T191-A292 CarbonylContact O-C 3.48Å; T191-A292 WeakPolarHBondContact O-CA 3.32Å; T191-A292 WeakPolarHBondContact O-CB 3.31Å; V289-A292 HydrophobicContact CG2-CB 4.35Å; A292-D295 WeakPolarHBondContact CB-OD2 3.46Å; A292-V308 HydrophobicContact CB-CG1 3.73Å; A292-S309 PolarHBondContact N-O 3.47Å; A292-P310 VanDerWaalsContact O-CA 3.31Å; A292-P310 WeakPolarHBondContact O-CA 3.42Å
293L98.8Very high95.6Very high0 Ų040.7 Ų40.70%019%0.192CC..EExtended strand (participates in β ladder)trans-86156.6158.4-58.5177.7000109A134 L138 F164 H168 M171 G190 T191 A193 V208 P310A134-L293 HydrophobicContact CB-CD1 4.03Å; L138-L293 HydrophobicContact CD1-CD1 4.44Å; L138-L293 HydrophobicContact CD2-CD1 4.11Å; F164-L293 HydrophobicContact CB-CD2 4.38Å; F164-L293 HydrophobicContact CD1-CD1 4.47Å; F164-L293 HydrophobicContact CD1-CD2 4.15Å; H168-L293 HydrophobicContact CB-CD2 4.07Å; M171-L293 HydrophobicContact CE-CB 3.83Å; M171-L293 HydrophobicContact CE-CD1 4.39Å; M171-L293 HydrophobicContact SD-CB 4.06Å; G190-L293 CarbonylContact C-O 3.51Å; G190-L293 WeakPolarHBondContact CA-O 3.41Å; T191-L293 HydrophobicContact CG2-CB 3.88Å; T191-L293 PolarHBondContact N-O 3.49Å; T191-L293 PolarHBondContact O-N 3.48Å; A193-L293 HydrophobicContact CB-CD1 3.93Å; A193-L293 HydrophobicContact CB-CG 4.43Å; V208-L293 HydrophobicContact CG2-CG 4.29Å; L293-P310 HydrophobicContact CD2-CB 4.05Å
294G98.1Very high95.5Very high0 Ų036.9 Ų36.90%018%0.183CC..EExtended strand (participates in β ladder)trans71.3-132.9-169.200000111.5H168 M171 L296H168-G294 PolarHBondContact CE1-O 3.45Å; H168-G294 PolarHBondContact ND1-O 3.02Å; M171-G294 PolarHBondContact SD-N 2.89Å; G294-L296 WeakPolarHBondContact O-CD2 3.43Å; G294-L296 PolarHBondContact O-N 3.45Å
295D97.7Very high95.6Very high0 Ų039.8 Ų39.80%020%0.196CC..  trans49.934.8-178.9-77-57.2000114.3H125 S189 L287 A292 W297 S298 V308H125-D295 IonicContact CD2-OD1 3.88Å; H125-D295 IonicContact CD2-OD2 3.14Å; H125-D295 IonicContact CE1-OD2 3.07Å; H125-D295 PolarHBondContact CE1-OD2 2.93Å; H125-D295 VanDerWaalsContact NE2-CG 3.27Å; H125-D295 IonicContact NE2-OD1 2.75Å; H125-D295 PolarHBondContact NE2-OD1 3.34Å; H125-D295 VanDerWaalsContact NE2-OD1 3.14Å; H125-D295 IonicContact NE2-OD2 3.38Å; H125-D295 PolarHBondContact NE2-OD2 2.88Å; S189-D295 PolarHBondContact O-N 3.36Å; L287-D295 HydrophobicContact CD2-CB 4.49Å; L287-D295 VanDerWaalsContact CD2-OD2 3.23Å; L287-D295 WeakPolarHBondContact CD2-OD2 3.48Å; A292-D295 WeakPolarHBondContact CB-OD2 3.46Å; D295-W297 HydrophobicContact CB-CZ2 4.4Å; D295-W297 PolarHBondContact O-N 3.22Å; D295-W297 PolarHBondContact OD1-NE1 2.98Å; D295-S298 VanDerWaalsContact O-CB 3.23Å; D295-S298 WeakPolarHBondContact O-CB 3.07Å; D295-S298 PolarHBondContact O-N 3.05Å; D295-S298 PolarHBondContact O-OG 3.47Å; D295-V308 HydrophobicContact CB-CB 4.15Å; D295-V308 HydrophobicContact CB-CG1 4.03Å; D295-V308 HydrophobicContact CB-CG2 4.49Å
296L97.3Very high95.6Very high6 Ų639.1 Ų39.13%0.03119%0.19CC..G310 helixtrans-65.4-12.7-169.8-51.2170.7000112.7M171 W172 L175 W178 G294 S298 F306M171-L296 HydrophobicContact CB-CD1 4.26Å; W172-L296 HydrophobicContact CB-CD2 4.39Å; W172-L296 HydrophobicContact CE3-CB 3.84Å; W172-L296 HydrophobicContact CE3-CD2 3.89Å; W172-L296 HydrophobicContact CE3-CG 4.32Å; W172-L296 HydrophobicContact CZ3-CB 3.99Å; W172-L296 VanDerWaalsContact CZ3-O 3.26Å; W172-L296 WeakPolarHBondContact CZ3-O 3.39Å; L175-L296 HydrophobicContact CB-CD1 3.82Å; L175-L296 HydrophobicContact CD1-CD1 4.15Å; L175-L296 HydrophobicContact CD2-CB 3.96Å; L175-L296 HydrophobicContact CD2-CD1 4.02Å; L175-L296 HydrophobicContact CG-CD1 4.2Å; W178-L296 HydrophobicContact CZ3-CD1 4.07Å; G294-L296 WeakPolarHBondContact O-CD2 3.43Å; G294-L296 PolarHBondContact O-N 3.45Å; L296-S298 PolarHBondContact O-N 3.24Å; L296-F306 HydrophobicContact CD2-CE1 4.28Å
297W95.3Very high95.7Very high35 Ų3536.8 Ų36.813%0.13318%0.181CC..G310 helixtrans-63.8-16.7168.163.1-95.9000113.9V262 W264 F286 L287 D295 V308V262-W297 HydrophobicContact CB-CH2 4.48Å; V262-W297 HydrophobicContact CG1-CH2 4.15Å; W264-W297 HydrophobicContact CB-CD2 4.45Å; W264-W297 HydrophobicContact CB-CE3 3.7Å; W264-W297 HydrophobicContact CB-CH2 4.43Å; W264-W297 HydrophobicContact CB-CZ3 3.7Å; W264-W297 AromaticContact CD1-CE3 3.4Å; W264-W297 VanDerWaalsContact CD1-CE3 3.4Å; W264-W297 HydrophobicContact CD2-CD2 4.42Å; W264-W297 HydrophobicContact CD2-CE3 4.29Å; W264-W297 HydrophobicContact CG-CD2 4.13Å; W264-W297 AromaticContact CG-CE3 3.55Å; W264-W297 HydrophobicContact CG-CE3 3.55Å; W264-W297 HydrophobicContact CG-CZ3 4.09Å; W264-W297 HydrophobicContact CZ2-CB 4.15Å; F286-W297 HydrophobicContact CD1-CD2 4.49Å; F286-W297 AromaticContact CD1-CE2 3.78Å; F286-W297 HydrophobicContact CD1-CH2 4.2Å; F286-W297 AromaticContact CD1-CZ2 3.63Å; F286-W297 HydrophobicContact CD1-CZ2 3.63Å; F286-W297 AromaticContact CE1-CE2 3.9Å; F286-W297 HydrophobicContact CE1-CZ2 4.17Å; F286-W297 AromaticContact CE1-NE1 3.74Å; L287-W297 HydrophobicContact CB-CH2 4.39Å; L287-W297 HydrophobicContact CB-CZ2 3.97Å; L287-W297 HydrophobicContact CD2-CZ2 4.2Å; D295-W297 HydrophobicContact CB-CZ2 4.4Å; D295-W297 PolarHBondContact O-N 3.22Å; D295-W297 PolarHBondContact OD1-NE1 2.98Å; W297-V308 HydrophobicContact CH2-CG2 3.84Å; W297-V308 HydrophobicContact CZ2-CG2 3.92Å
298S96.6Very high95.7Very high6 Ų636.1 Ų36.14%0.04218%0.178CC..G310 helixtrans-90.8-0.6-172.672.90000115D295 L296 D300 V307 V308D295-S298 VanDerWaalsContact O-CB 3.23Å; D295-S298 WeakPolarHBondContact O-CB 3.07Å; D295-S298 PolarHBondContact O-N 3.05Å; D295-S298 PolarHBondContact O-OG 3.47Å; L296-S298 PolarHBondContact O-N 3.24Å; S298-D300 PolarHBondContact O-N 2.98Å; S298-V307 WeakPolarHBondContact O-CB 3.37Å; S298-V307 WeakPolarHBondContact O-CG2 3.23Å; S298-V307 PolarHBondContact O-N 3Å; S298-V308 WeakPolarHBondContact OG-CB 3.16Å; S298-V308 PolarHBondContact OG-N 3.34Å
299Y95.6Very high95.8Very high69 Ų6935.6 Ų35.627%0.27117%0.172SC..EExtended strand (participates in β ladder)trans-67.3125.9175-178.8-95.8000111.5W172 F301 G304 F306W172-Y299 AromaticContact CH2-CD1 4Å; W172-Y299 HydrophobicContact CH2-CD1 4Å; W172-Y299 HydrophobicContact CH2-CD2 4.49Å; W172-Y299 AromaticContact CH2-CG 3.81Å; W172-Y299 HydrophobicContact CH2-CG 3.81Å; W172-Y299 HydrophobicContact CZ3-CD2 4.47Å; W172-Y299 HydrophobicContact CZ3-CG 4.04Å; Y299-F301 HydrophobicContact CD1-CD1 4.23Å; Y299-F301 HydrophobicContact CD1-CD2 4.22Å; Y299-F301 HydrophobicContact CD1-CE1 4.15Å; Y299-F301 HydrophobicContact CD1-CE2 4.13Å; Y299-F301 HydrophobicContact CD1-CG 4.27Å; Y299-F301 HydrophobicContact CD1-CZ 4.09Å; Y299-F301 AromaticContact CE1-CD1 3.74Å; Y299-F301 HydrophobicContact CE1-CD1 3.74Å; Y299-F301 HydrophobicContact CE1-CD2 4.45Å; Y299-F301 AromaticContact CE1-CE1 3.89Å; Y299-F301 HydrophobicContact CE1-CE1 3.89Å; Y299-F301 HydrophobicContact CE1-CG 4.04Å; Y299-F301 HydrophobicContact CE1-CZ 4.31Å; Y299-G304 WeakPolarHBondContact CE2-O 3.26Å; Y299-F306 HydrophobicContact CD2-CD1 4.32Å; Y299-F306 AromaticContact CD2-CD2 3.96Å; Y299-F306 HydrophobicContact CD2-CD2 3.96Å; Y299-F306 HydrophobicContact CD2-CE1 4.03Å; Y299-F306 AromaticContact CD2-CE2 3.62Å; Y299-F306 HydrophobicContact CD2-CE2 3.62Å; Y299-F306 HydrophobicContact CD2-CG 4.29Å; Y299-F306 AromaticContact CD2-CZ 3.66Å; Y299-F306 HydrophobicContact CD2-CZ 3.66Å; Y299-F306 HydrophobicContact CE2-CE2 4.19Å; Y299-F306 HydrophobicContact CE2-CZ 4.48Å; Y299-F306 HydrophobicContact CG-CE1 4.36Å; Y299-F306 HydrophobicContact CG-CZ 4.34Å
300D92Very high95.8Very high40 Ų4035.8 Ų35.821%0.21417%0.174CC..EExtended strand (participates in β ladder)trans-102.4125.3174.9173.774000111.8S298 Y302 S303 G304 E305 V307S298-D300 PolarHBondContact O-N 2.98Å; D300-Y302 VanDerWaalsContact C-N 3.26Å; D300-Y302 PolarHBondContact O-N 3.38Å; D300-Y302 WeakPolarHBondContact OD2-CA 3.23Å; D300-Y302 WeakPolarHBondContact OD2-CB 3.36Å; D300-Y302 PolarHBondContact OD2-N 3.49Å; D300-S303 PolarHBondContact O-OG 2.98Å; D300-S303 PolarHBondContact OD2-N 2.94Å; D300-S303 PolarHBondContact OD2-OG 3.32Å; D300-G304 WeakPolarHBondContact O-CA 3.39Å; D300-G304 PolarHBondContact O-N 3.18Å; D300-E305 PolarHBondContact N-O 2.9Å; D300-E305 PolarHBondContact O-N 3.37Å; D300-V307 HydrophobicContact CB-CG2 4.35Å
301F87.1Confident95.8Very high166 Ų16639.8 Ų39.873%0.72819%0.192SC*.THydrogen-bonded Turntrans-75.8-6.8-175.2-68.6-91.3000114.4Y299Y299-F301 HydrophobicContact CD1-CD1 4.23Å; Y299-F301 HydrophobicContact CD1-CD2 4.22Å; Y299-F301 HydrophobicContact CD1-CE1 4.15Å; Y299-F301 HydrophobicContact CD1-CE2 4.13Å; Y299-F301 HydrophobicContact CD1-CG 4.27Å; Y299-F301 HydrophobicContact CD1-CZ 4.09Å; Y299-F301 AromaticContact CE1-CD1 3.74Å; Y299-F301 HydrophobicContact CE1-CD1 3.74Å; Y299-F301 HydrophobicContact CE1-CD2 4.45Å; Y299-F301 AromaticContact CE1-CE1 3.89Å; Y299-F301 HydrophobicContact CE1-CE1 3.89Å; Y299-F301 HydrophobicContact CE1-CG 4.04Å; Y299-F301 HydrophobicContact CE1-CZ 4.31Å
302Y87.1Confident95.8Very high187 Ų18739.5 Ų39.573%0.73319%0.191SC*.THydrogen-bonded Turntrans-96.4-37.4178.4-63.8-79.5000112.3D300D300-Y302 VanDerWaalsContact C-N 3.26Å; D300-Y302 PolarHBondContact O-N 3.38Å; D300-Y302 WeakPolarHBondContact OD2-CA 3.23Å; D300-Y302 WeakPolarHBondContact OD2-CB 3.36Å; D300-Y302 PolarHBondContact OD2-N 3.49Å
303S91.1Very high95.8Very high48 Ų4842.1 Ų42.134%0.33621%0.205SC..THydrogen-bonded Turntrans-81-31.1170.655.80000112.6D300 E305D300-S303 PolarHBondContact O-OG 2.98Å; D300-S303 PolarHBondContact OD2-N 2.94Å; D300-S303 PolarHBondContact OD2-OG 3.32Å; S303-E305 VanDerWaalsContact C-N 3.32Å; S303-E305 PolarHBondContact OG-N 2.69Å
304G93.3Very high95.8Very high34 Ų3443.8 Ų43.835%0.35122%0.216SC..THydrogen-bonded Turntrans8016.1-171.500000113.1Y299 D300Y299-G304 WeakPolarHBondContact CE2-O 3.26Å; D300-G304 WeakPolarHBondContact O-CA 3.39Å; D300-G304 PolarHBondContact O-N 3.18Å
305E95.6Very high95.8Very high107 Ų10746 Ų4650%0.523%0.231SC..EExtended strand (participates in β ladder)trans-131.4164.7-165.7-75.5-65.817100112.6L249 D300 S303L249-E305 HydrophobicContact CD1-CB 4.25Å; L249-E305 HydrophobicContact CD2-CB 3.88Å; L249-E305 HydrophobicContact CD2-CG 4.26Å; D300-E305 PolarHBondContact N-O 2.9Å; D300-E305 PolarHBondContact O-N 3.37Å; S303-E305 VanDerWaalsContact C-N 3.32Å; S303-E305 PolarHBondContact OG-N 2.69Å
306F97.1Very high95.8Very high12 Ų1248.5 Ų48.55%0.05325%0.246CC..EExtended strand (participates in β ladder)trans-92.6121.5178.1-67.1-97000111.7H168 W172 L296 Y299 V308H168-F306 AromaticContact CD2-CZ 3.94Å; H168-F306 AromaticContact CE1-CD1 3.79Å; H168-F306 AromaticContact CE1-CE1 3.81Å; H168-F306 AromaticContact NE2-CD1 3.33Å; H168-F306 VanDerWaalsContact NE2-CD1 3.33Å; H168-F306 WeakPolarHBondContact NE2-CD1 3.41Å; H168-F306 AromaticContact NE2-CD2 3.88Å; H168-F306 AromaticContact NE2-CE1 3.03Å; H168-F306 WeakPolarHBondContact NE2-CE1 3.41Å; H168-F306 AromaticContact NE2-CE2 3.64Å; H168-F306 AromaticContact NE2-CG 3.75Å; H168-F306 AromaticContact NE2-CZ 3.21Å; H168-F306 WeakPolarHBondContact NE2-CZ 3.46Å; W172-F306 AromaticContact CE3-CE1 3.63Å; W172-F306 HydrophobicContact CE3-CE1 3.63Å; W172-F306 AromaticContact CE3-CZ 3.55Å; W172-F306 HydrophobicContact CE3-CZ 3.55Å; W172-F306 AromaticContact CZ3-CE1 3.5Å; W172-F306 HydrophobicContact CZ3-CE1 3.5Å; W172-F306 AromaticContact CZ3-CZ 3.68Å; W172-F306 HydrophobicContact CZ3-CZ 3.68Å; L296-F306 HydrophobicContact CD2-CE1 4.28Å; Y299-F306 HydrophobicContact CD2-CD1 4.32Å; Y299-F306 AromaticContact CD2-CD2 3.96Å; Y299-F306 HydrophobicContact CD2-CD2 3.96Å; Y299-F306 HydrophobicContact CD2-CE1 4.03Å; Y299-F306 AromaticContact CD2-CE2 3.62Å; Y299-F306 HydrophobicContact CD2-CE2 3.62Å; Y299-F306 HydrophobicContact CD2-CG 4.29Å; Y299-F306 AromaticContact CD2-CZ 3.66Å; Y299-F306 HydrophobicContact CD2-CZ 3.66Å; Y299-F306 HydrophobicContact CE2-CE2 4.19Å; Y299-F306 HydrophobicContact CE2-CZ 4.48Å; Y299-F306 HydrophobicContact CG-CE1 4.36Å; Y299-F306 HydrophobicContact CG-CZ 4.34Å; F306-V308 VanDerWaalsContact C-N 3.3Å; F306-V308 WeakPolarHBondContact CB-O 3.44Å; F306-V308 PolarHBondContact O-N 3.16Å
307V97.6Very high95.8Very high11 Ų1149.8 Ų49.87%0.06725%0.254CS..SBendtrans-65.1-37.3175.2178.70000110.6R245 I246 L249 V262 S298 D300R245-V307 PolarHBondContact NH1-O 3.25Å; I246-V307 HydrophobicContact CB-CG1 4.34Å; I246-V307 HydrophobicContact CG1-CG1 4.17Å; I246-V307 HydrophobicContact CG2-CG1 3.83Å; L249-V307 HydrophobicContact CB-CG2 4.4Å; V262-V307 HydrophobicContact CG1-CG1 3.83Å; S298-V307 WeakPolarHBondContact O-CB 3.37Å; S298-V307 WeakPolarHBondContact O-CG2 3.23Å; S298-V307 PolarHBondContact O-N 3Å; D300-V307 HydrophobicContact CB-CG2 4.35Å
308V98.4Very high95.8Very high0 Ų052.3 Ų52.30%027%0.269CS..SBendtrans-92.3101.4165.8-177.70000107.6V262 L287 A290 A292 D295 W297 S298 F306V262-V308 HydrophobicContact CB-CG2 4.46Å; V262-V308 HydrophobicContact CG1-CG2 4.07Å; V262-V308 HydrophobicContact CG2-CG2 4.46Å; L287-V308 HydrophobicContact CD2-CB 4.42Å; L287-V308 HydrophobicContact CD2-CG1 3.75Å; L287-V308 HydrophobicContact CD2-CG2 3.78Å; A290-V308 WeakPolarHBondContact O-CA 3.18Å; A292-V308 HydrophobicContact CB-CG1 3.73Å; D295-V308 HydrophobicContact CB-CB 4.15Å; D295-V308 HydrophobicContact CB-CG1 4.03Å; D295-V308 HydrophobicContact CB-CG2 4.49Å; W297-V308 HydrophobicContact CH2-CG2 3.84Å; W297-V308 HydrophobicContact CZ2-CG2 3.92Å; S298-V308 WeakPolarHBondContact OG-CB 3.16Å; S298-V308 PolarHBondContact OG-N 3.34Å; F306-V308 VanDerWaalsContact C-N 3.3Å; F306-V308 WeakPolarHBondContact CB-O 3.44Å; F306-V308 PolarHBondContact O-N 3.16Å
309S98.4Very high95.8Very high15 Ų1552.2 Ų52.211%0.10527%0.268CS..BIsolated β-bridgetrans-77136.9-169.8173.20000112.2A290 R291 A292 E311A290-S309 PolarHBondContact O-N 3.42Å; R291-S309 CarbonylContact C-O 3.58Å; R291-S309 WeakPolarHBondContact CA-O 2.9Å; R291-S309 WeakPolarHBondContact CB-O 3.44Å; A292-S309 PolarHBondContact N-O 3.47Å; S309-E311 VanDerWaalsContact C-N 3.29Å; S309-E311 WeakPolarHBondContact OG-CB 3.26Å; S309-E311 PolarHBondContact OG-N 3.32Å; S309-E311 VanDerWaalsContact OG-N 3.07Å
310P98.4Very high95.6Very high9 Ų951.7 Ų51.76%0.05827%0.27CS..  trans-82.6-2.3170.433.8-35.4000114.2H168 A292 L293 P312H168-P310 HydrophobicContact CB-CB 3.63Å; H168-P310 HydrophobicContact CB-CG 4.12Å; H168-P310 WeakPolarHBondContact ND1-CB 3.47Å; A292-P310 VanDerWaalsContact O-CA 3.31Å; A292-P310 WeakPolarHBondContact O-CA 3.42Å; L293-P310 HydrophobicContact CD2-CB 4.05Å; P310-P312 VanDerWaalsContact O-CD 3.32Å; P310-P312 WeakPolarHBondContact O-CD 3.39Å
311E98.4Very high95.3Very high84 Ų8451.1 Ų51.139%0.39327%0.268SS..PPolyproline II helixtrans-76.9117.7-174.9-164.8-171.6177.700110.8R161 R291 S309R161-E311 WeakPolarHBondContact CD-OE1 3.17Å; R161-E311 HydrophobicContact CG-CG 3.99Å; R161-E311 IonicContact CZ-OE1 3.26Å; R161-E311 IonicContact NE-OE1 3.18Å; R161-E311 VanDerWaalsContact NH1-CD 3.3Å; R161-E311 IonicContact NH1-OE1 3.52Å; R161-E311 PolarHBondContact NH1-OE1 2.71Å; R291-E311 VanDerWaalsContact CD-O 3.23Å; R291-E311 WeakPolarHBondContact CD-O 3.23Å; R291-E311 PolarHBondContact NH1-O 2.86Å; S309-E311 VanDerWaalsContact C-N 3.29Å; S309-E311 WeakPolarHBondContact OG-CB 3.26Å; S309-E311 PolarHBondContact OG-N 3.32Å; S309-E311 VanDerWaalsContact OG-N 3.07Å
312P98.7Very high95.3Very high0 Ų051.7 Ų51.70%027%0.266CS..PPolyproline II helixtrans-74149.1-178.429.6-35.5000112.3R161 F164 A206 H207 V208 P310 T314R161-P312 HydrophobicContact CB-CG 4.42Å; R161-P312 PolarHBondContact NH1-O 3.48Å; R161-P312 PolarHBondContact NH2-O 3.38Å; F164-P312 HydrophobicContact CB-CG 3.92Å; F164-P312 HydrophobicContact CD1-CB 3.8Å; F164-P312 HydrophobicContact CD1-CG 3.77Å; F164-P312 HydrophobicContact CD2-CG 4.03Å; F164-P312 HydrophobicContact CE1-CB 3.85Å; F164-P312 HydrophobicContact CE1-CG 4.22Å; F164-P312 HydrophobicContact CE2-CG 4.47Å; F164-P312 HydrophobicContact CG-CB 4.2Å; F164-P312 HydrophobicContact CG-CG 3.66Å; F164-P312 HydrophobicContact CZ-CB 4.31Å; A206-P312 HydrophobicContact CB-CB 4.19Å; H207-P312 VanDerWaalsContact O-CA 3.23Å; H207-P312 WeakPolarHBondContact O-CA 3.23Å; H207-P312 WeakPolarHBondContact O-CB 3.42Å; V208-P312 HydrophobicContact CG1-CB 4.09Å; P310-P312 VanDerWaalsContact O-CD 3.32Å; P310-P312 WeakPolarHBondContact O-CD 3.39Å; P312-T314 HydrophobicContact CB-CG2 4.12Å; P312-T314 HydrophobicContact CG-CG2 3.84Å
313D98.6Very high95.5Very high55 Ų5546.6 Ų46.629%0.29425%0.248SC..EExtended strand (participates in β ladder)trans-75.7134.3153.7-77.7-4.7000107.5A206 H207 H235 K241 R291A206-D313 WeakPolarHBondContact CA-O 3.5Å; H207-D313 PolarHBondContact N-O 2.96Å; H207-D313 PolarHBondContact O-N 2.98Å; H235-D313 IonicContact NE2-OD2 3.29Å; K241-D313 IonicContact NZ-OD1 3.33Å; K241-D313 PolarHBondContact NZ-OD1 3.17Å; K241-D313 IonicContact NZ-OD2 2.78Å; K241-D313 PolarHBondContact NZ-OD2 3.42Å; R291-D313 IonicContact CZ-OD1 3.68Å; R291-D313 IonicContact CZ-OD2 2.59Å; R291-D313 IonicContact NH1-OD1 3.79Å; R291-D313 PolarHBondContact NH1-OD1 3.42Å; R291-D313 IonicContact NH1-OD2 2.72Å; R291-D313 VanDerWaalsContact NH2-CG 3.33Å; R291-D313 IonicContact NH2-OD1 2.78Å; R291-D313 PolarHBondContact NH2-OD1 2.9Å; R291-D313 IonicContact NH2-OD2 2.76Å; R291-D313 PolarHBondContact NH2-OD2 3.42Å; R291-D313 VanDerWaalsContact NH2-OD2 3.13Å
314T98.5Very high95.7Very high36 Ų3645.4 Ų45.422%0.22124%0.236CC..EExtended strand (participates in β ladder)trans-131.2134.8-171.359.90000111.4R161 V205 A206 P312R161-T314 HydrophobicContact CB-CG2 4.37Å; R161-T314 PolarHBondContact NH2-OG1 3.1Å; V205-T314 CarbonylContact O-C 3.5Å; V205-T314 VanDerWaalsContact O-CA 3.25Å; V205-T314 WeakPolarHBondContact O-CA 3.23Å; A206-T314 HydrophobicContact CB-CG2 3.98Å; P312-T314 HydrophobicContact CB-CG2 4.12Å; P312-T314 HydrophobicContact CG-CG2 3.84Å
315S98.1Very high95.7Very high45 Ų4546.1 Ų46.132%0.31523%0.229SC..EExtended strand (participates in β ladder)trans-139170.9177.665.50000111.6V205V205-S315 PolarHBondContact N-O 2.66Å; V205-S315 PolarHBondContact O-N 3.33Å
316V98.3Very high95.8Very high53 Ų5341.2 Ų41.232%0.32121%0.205SC..EExtended strand (participates in β ladder)trans-131.2138.6170.365.30000109.6D153 R202 M203 Y204D153-V316 HydrophobicContact CB-CG1 4.06Å; R202-V316 HydrophobicContact CB-CG2 4.35Å; M203-V316 CarbonylContact O-C 3.41Å; M203-V316 WeakPolarHBondContact O-CA 3.28Å; Y204-V316 HydrophobicContact CD1-CB 3.82Å; Y204-V316 HydrophobicContact CD1-CG2 3.62Å; Y204-V316 HydrophobicContact CE1-CB 4.06Å; Y204-V316 HydrophobicContact CE1-CG2 3.62Å; Y204-V316 HydrophobicContact CG-CG2 4.33Å
317V97.7Very high95.9Very high33 Ų3340.6 Ų40.620%0.220%0.203CC..EExtended strand (participates in β ladder)trans-122129.6173.5-179.70000107.7M203 L215 L319M203-V317 HydrophobicContact CB-CB 4.36Å; M203-V317 HydrophobicContact CE-CB 3.77Å; M203-V317 HydrophobicContact CE-CG1 4.24Å; M203-V317 HydrophobicContact CE-CG2 3.79Å; M203-V317 PolarHBondContact N-O 3.45Å; M203-V317 PolarHBondContact O-N 3.22Å; L215-V317 HydrophobicContact CD2-CG1 4.21Å; V317-L319 HydrophobicContact CG1-CD2 4.35Å
318I96.3Very high95.9Very high89 Ų8940.1 Ų40.146%0.45620%0.2SC..EExtended strand (participates in β ladder)trans-83.6119.4172-52.4-55.8000107.6N201 R202 H324N201-I318 WeakPolarHBondContact ND2-CG2 3.41Å; R202-I318 HydrophobicContact CG-CD1 4.04Å; I318-H324 PolarHBondContact O-CE1 2.86Å
319L94.9Very high96Very high3 Ų340.1 Ų40.12%0.01620%0.2CC..  trans-81.2124.3-178-62.8-180000111.3L5 L198 N201 M203 L215 V317 H324 I327 L390L5-L319 HydrophobicContact CD1-CD1 3.67Å; L198-L319 HydrophobicContact CD2-CD1 3.95Å; N201-L319 WeakPolarHBondContact O-CB 3.39Å; N201-L319 PolarHBondContact O-N 2.98Å; M203-L319 HydrophobicContact CB-CD1 3.99Å; M203-L319 HydrophobicContact CB-CD2 4.05Å; M203-L319 HydrophobicContact CB-CG 3.9Å; M203-L319 HydrophobicContact CE-CD2 4.5Å; M203-L319 HydrophobicContact SD-CD2 4.34Å; L215-L319 HydrophobicContact CD1-CD2 4.3Å; V317-L319 HydrophobicContact CG1-CD2 4.35Å; L319-H324 WeakPolarHBondContact CA-ND1 3.16Å; L319-H324 HydrophobicContact CD2-CB 4.28Å; L319-H324 VanDerWaalsContact CD2-ND1 3.32Å; L319-H324 WeakPolarHBondContact CD2-ND1 3.39Å; L319-I327 HydrophobicContact CD1-CD1 4.3Å; L319-L390 HydrophobicContact CD1-CD1 4.22Å; L319-L390 HydrophobicContact CD2-CD1 4.42Å
320D91.3Very high95.9Very high59 Ų5939.4 Ų39.432%0.31620%0.195SC..  trans-103.7108.9165.6-179-2.4000108.2R322 K323 H324D320-R322 PolarHBondContact O-N 2.84Å; D320-R322 VanDerWaalsContact O-N 3.07Å; D320-R322 WeakPolarHBondContact OD1-CB 3.29Å; D320-R322 PolarHBondContact OD1-N 3.19Å; D320-R322 VanDerWaalsContact OD1-N 3.08Å; D320-K323 HydrophobicContact CB-CB 4.36Å; D320-K323 HydrophobicContact CB-CG 4.43Å; D320-K323 PolarHBondContact O-N 3.3Å; D320-H324 PolarHBondContact N-ND1 2.85Å; D320-H324 PolarHBondContact O-N 3.22Å
321P85.8Confident95.9Very high27 Ų2739 Ų3918%0.17519%0.192CC..THydrogen-bonded Turntrans-58.5-20.1-179.5-26.535.9000114.7L5 K323L5-P321 HydrophobicContact CD2-CG 3.9Å; P321-K323 VanDerWaalsContact C-N 3.27Å; P321-K323 PolarHBondContact O-N 2.86Å
322R86.9Confident95.8Very high179 Ų17936.3 Ų36.368%0.67518%0.181SC*.THydrogen-bonded Turntrans-79.8-8.6178.3-58.8174.4175.7177.1-1.3113.6D320D320-R322 PolarHBondContact O-N 2.84Å; D320-R322 VanDerWaalsContact O-N 3.07Å; D320-R322 WeakPolarHBondContact OD1-CB 3.29Å; D320-R322 PolarHBondContact OD1-N 3.19Å; D320-R322 VanDerWaalsContact OD1-N 3.08Å
323K91.9Very high95.6Very high80 Ų8036.3 Ų36.335%0.34818%0.181SC..THydrogen-bonded Turntrans-128.3-44.4-175.5-62.7-171.5176.8-155.20112.6V217 Q218 D320 P321 R325V217-K323 CarbonylContact C-O 3.42Å; V217-K323 WeakPolarHBondContact CA-O 3.35Å; Q218-K323 PolarHBondContact N-O 3.06Å; Q218-K323 WeakPolarHBondContact O-CA 3.47Å; D320-K323 HydrophobicContact CB-CB 4.36Å; D320-K323 HydrophobicContact CB-CG 4.43Å; D320-K323 PolarHBondContact O-N 3.3Å; P321-K323 VanDerWaalsContact C-N 3.27Å; P321-K323 PolarHBondContact O-N 2.86Å; K323-R325 PolarHBondContact O-N 2.81Å
324H95Very high95.6Very high22 Ų2233.7 Ų33.710%0.10217%0.167CC..EExtended strand (participates in β ladder)trans-84.5115.7-178.7-57.3157.1000108.4L215 G216 I318 L319 D320 L390L215-H324 HydrophobicContact CD1-CB 4.22Å; G216-H324 WeakPolarHBondContact O-CA 3.12Å; I318-H324 PolarHBondContact O-CE1 2.86Å; L319-H324 WeakPolarHBondContact CA-ND1 3.16Å; L319-H324 HydrophobicContact CD2-CB 4.28Å; L319-H324 VanDerWaalsContact CD2-ND1 3.32Å; L319-H324 WeakPolarHBondContact CD2-ND1 3.39Å; D320-H324 PolarHBondContact N-ND1 2.85Å; D320-H324 PolarHBondContact O-N 3.22Å; H324-L390 HydrophobicContact CB-CD1 3.75Å; H324-L390 WeakPolarHBondContact O-CB 3.43Å; H324-L390 WeakPolarHBondContact O-CD1 3.31Å
325R94.7Very high95.6Very high49 Ų4933.8 Ų33.819%0.18516%0.163CC..EExtended strand (participates in β ladder)trans-102.7-36.1-175-55.6-62-59.711013.5111.8G216 Q218 I226 K323 A389 L390G216-R325 PolarHBondContact O-N 2.94Å; Q218-R325 HydrophobicContact CB-CG 3.93Å; I226-R325 HydrophobicContact CD1-CB 3.94Å; I226-R325 HydrophobicContact CD1-CG 3.85Å; I226-R325 HydrophobicContact CG1-CG 4.26Å; I226-R325 HydrophobicContact CG2-CB 4.16Å; I226-R325 HydrophobicContact CG2-CG 4.24Å; K323-R325 PolarHBondContact O-N 2.81Å; R325-A389 WeakPolarHBondContact O-CA 3.12Å; R325-L390 PolarHBondContact NH1-O 2.95Å; R325-L390 PolarHBondContact O-N 2.85Å
326Y97.3Very high95.4Very high4 Ų435.1 Ų35.12%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-139.2149.1-178.3-56.9-72.4000112.6G216 I226 I344 C347 Q348 D351 V387 I388 A389G216-Y326 PolarHBondContact N-O 2.94Å; I226-Y326 HydrophobicContact CD1-CD2 4.4Å; I226-Y326 HydrophobicContact CD1-CE2 3.69Å; I226-Y326 HydrophobicContact CG2-CD2 4.36Å; Y326-I344 HydrophobicContact CD2-CD1 4.45Å; Y326-I344 HydrophobicContact CD2-CG2 4.31Å; Y326-C347 HydrophobicContact CD1-CB 3.96Å; Y326-C347 HydrophobicContact CD2-CB 4.31Å; Y326-C347 HydrophobicContact CE1-CB 3.86Å; Y326-C347 HydrophobicContact CE2-CB 4.21Å; Y326-C347 HydrophobicContact CG-CB 4.21Å; Y326-Q348 HydrophobicContact CE2-CB 4.37Å; Y326-Q348 WeakPolarHBondContact OH-CA 3.38Å; Y326-D351 WeakPolarHBondContact CE1-OD2 3.21Å; Y326-D351 VanDerWaalsContact CZ-OD2 3.28Å; Y326-D351 VanDerWaalsContact OH-CG 3.31Å; Y326-D351 PolarHBondContact OH-OD2 3.29Å; Y326-V387 HydrophobicContact CD1-CG1 4.46Å; Y326-I388 CarbonylContact C-O 3.59Å; Y326-I388 WeakPolarHBondContact CA-O 3.42Å; Y326-A389 HydrophobicContact CD1-CB 3.84Å; Y326-A389 HydrophobicContact CE1-CB 3.73Å
327I98.4Very high95.4Very high0 Ų032.9 Ų32.90%015%0.153CC..EExtended strand (participates in β ladder)trans-123.4124158.5-51.5155.1000106.3V196 L198 M203 I213 L215 L319 L329 I388 L390V196-I327 HydrophobicContact CG2-CG2 4.25Å; L198-I327 HydrophobicContact CD2-CD1 4.31Å; M203-I327 HydrophobicContact SD-CD1 3.55Å; M203-I327 VanDerWaalsContact SD-CD1 3.55Å; M203-I327 HydrophobicContact SD-CG1 3.83Å; M203-I327 HydrophobicContact SD-CG2 3.98Å; I213-I327 HydrophobicContact CG2-CG2 4Å; L215-I327 HydrophobicContact CD1-CG1 3.83Å; L319-I327 HydrophobicContact CD1-CD1 4.3Å; I327-L329 HydrophobicContact CG2-CD1 4.23Å; I327-I388 HydrophobicContact CB-CB 4.2Å; I327-I388 HydrophobicContact CB-CD1 4.42Å; I327-I388 HydrophobicContact CD1-CG2 4.46Å; I327-I388 PolarHBondContact N-O 3.49Å; I327-I388 PolarHBondContact O-N 2.92Å; I327-L390 HydrophobicContact CD1-CD1 4.38Å; I327-L390 HydrophobicContact CD1-CD2 4.44Å
328V98.7Very high95.4Very high1 Ų131.3 Ų31.31%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-118.3120.5179-175.60000108.8I213 V214 W335 I344 L365 I386 V387I213-V328 CarbonylContact C-O 3.45Å; I213-V328 WeakPolarHBondContact CA-O 3.34Å; V214-V328 PolarHBondContact N-O 3.36Å; V214-V328 PolarHBondContact O-N 2.96Å; V328-W335 HydrophobicContact CB-CH2 4.13Å; V328-W335 HydrophobicContact CB-CZ2 4.5Å; V328-W335 HydrophobicContact CG1-CH2 3.67Å; V328-W335 HydrophobicContact CG1-CZ2 3.93Å; V328-I344 HydrophobicContact CG2-CD1 3.96Å; V328-L365 HydrophobicContact CG1-CD1 3.93Å; V328-I386 WeakPolarHBondContact CA-O 3.47Å; V328-V387 HydrophobicContact CG1-CG2 4.24Å; V328-V387 HydrophobicContact CG2-CG1 4.4Å; V328-V387 HydrophobicContact CG2-CG2 4.31Å
329L98.8Very high95.5Very high0 Ų030.2 Ų30.20%014%0.142CC..EExtended strand (participates in β ladder)trans-103.9143.2168.7-53.182000107.9F119 V121 V196 I213 I327 A385 I386 I388F119-L329 HydrophobicContact CB-CD1 4.43Å; F119-L329 HydrophobicContact CB-CD2 4.25Å; V121-L329 HydrophobicContact CG2-CB 3.67Å; V196-L329 HydrophobicContact CB-CD2 4.23Å; V196-L329 HydrophobicContact CG2-CD1 4.2Å; V196-L329 HydrophobicContact CG2-CD2 3.88Å; V196-L329 HydrophobicContact CG2-CG 4.13Å; I213-L329 HydrophobicContact CD1-CD2 4.38Å; I213-L329 HydrophobicContact CG1-CB 4.42Å; I213-L329 HydrophobicContact CG1-CD2 4.35Å; I213-L329 HydrophobicContact CG1-CG 4.06Å; I213-L329 HydrophobicContact CG2-CG 4.27Å; I327-L329 HydrophobicContact CG2-CD1 4.23Å; L329-A385 CarbonylContact O-C 3.57Å; L329-A385 WeakPolarHBondContact O-CA 3.32Å; L329-I386 HydrophobicContact CB-CB 4.24Å; L329-I386 HydrophobicContact CD1-CB 4.06Å; L329-I386 HydrophobicContact CD1-CG2 4.12Å; L329-I386 PolarHBondContact N-O 2.75Å; L329-I386 PolarHBondContact O-N 3.47Å; L329-I388 HydrophobicContact CD1-CD1 4.1Å
330G98.2Very high95.6Very high0 Ų031.4 Ų31.40%015%0.15CC..EExtended strand (participates in β ladder)trans-164.6160.3174.300000114.6S211 A212 W335 S384S211-G330 CarbonylContact C-O 3.43Å; S211-G330 VanDerWaalsContact CA-O 3.28Å; S211-G330 WeakPolarHBondContact CA-O 3.42Å; S211-G330 VanDerWaalsContact CB-O 3.25Å; S211-G330 WeakPolarHBondContact CB-O 3.32Å; A212-G330 PolarHBondContact N-O 3.49Å; A212-G330 VanDerWaalsContact N-O 3.07Å; A212-G330 PolarHBondContact O-N 2.67Å; A212-G330 VanDerWaalsContact O-N 3.08Å; G330-W335 VanDerWaalsContact C-NE1 3.32Å; G330-W335 VanDerWaalsContact O-CD1 3.32Å; G330-W335 PolarHBondContact O-NE1 2.71Å; G330-S384 WeakPolarHBondContact CA-O 3.21Å
331S97.8Very high96Very high0 Ų031.4 Ų31.40%015%0.148CC..  trans-78.4171.6179.253.80000113D23 D123 G333 L334 W335 N382 T383 S384D23-S331 WeakPolarHBondContact OD2-CB 3.5Å; D23-S331 PolarHBondContact OD2-OG 2.84Å; D123-S331 WeakPolarHBondContact OD2-CB 3.4Å; S331-G333 PolarHBondContact O-N 3.2Å; S331-L334 PolarHBondContact O-N 2.78Å; S331-W335 PolarHBondContact O-N 2.75Å; S331-N382 PolarHBondContact OG-O 2.86Å; S331-T383 WeakPolarHBondContact OG-CA 3.48Å; S331-S384 PolarHBondContact N-O 3.14Å; S331-S384 VanDerWaalsContact N-O 3.16Å; S331-S384 PolarHBondContact OG-N 2.8Å
332D95.8Very high96.6Very high28 Ų2833 Ų3315%0.1515%0.153CC..Hα-helixtrans-55.5-35.8178.2146.7-56.7000110.8D123 L334 W335 N336D123-D332 WeakPolarHBondContact OD2-CB 3.4Å; D123-D332 PolarHBondContact OD2-N 2.73Å; D123-D332 VanDerWaalsContact OD2-N 3.09Å; D332-L334 PolarHBondContact O-N 3.3Å; D332-L334 VanDerWaalsContact O-N 3.16Å; D332-W335 PolarHBondContact O-N 2.89Å; D332-N336 VanDerWaalsContact O-CB 3.31Å; D332-N336 WeakPolarHBondContact O-CB 3.48Å; D332-N336 PolarHBondContact O-N 3.05Å; D332-N336 PolarHBondContact O-ND2 3.41Å; D332-N336 PolarHBondContact OD1-ND2 3.26Å; D332-N336 PolarHBondContact OD2-ND2 3.01Å
333G95.4Very high97.1Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-57.2-26.9175.600000114.7S331 S369 W373 N382S331-G333 PolarHBondContact O-N 3.2Å; G333-S369 PolarHBondContact O-OG 2.69Å; G333-W373 PolarHBondContact O-NE1 3.41Å; G333-N382 WeakPolarHBondContact CA-O 3.43Å
334L97.4Very high97.4Very high0 Ų020.6 Ų20.60%010%0.104CC..Hα-helixtrans-81.7-57.7171.9175.961.7000110.9S331 D332 N336 M337 V338 L365 T383 A385S331-L334 PolarHBondContact O-N 2.78Å; D332-L334 PolarHBondContact O-N 3.3Å; D332-L334 VanDerWaalsContact O-N 3.16Å; L334-N336 VanDerWaalsContact C-N 3.35Å; L334-N336 PolarHBondContact O-N 2.68Å; L334-M337 PolarHBondContact O-N 3.16Å; L334-V338 HydrophobicContact CD1-CB 3.96Å; L334-V338 HydrophobicContact CD1-CG2 3.84Å; L334-V338 PolarHBondContact O-N 3.33Å; L334-L365 HydrophobicContact CD1-CB 4.07Å; L334-T383 HydrophobicContact CB-CG2 4.36Å; L334-A385 HydrophobicContact CD2-CB 4.2Å
335W97.9Very high97.5Very high37 Ų3721.3 Ų21.314%0.1411%0.111CC..Hα-helixtrans-71.5-26.3-165.7-57116.5000113.7A212 V214 V328 G330 S331 D332 M337 P340 A343A212-W335 HydrophobicContact CB-CD2 4.31Å; A212-W335 HydrophobicContact CB-CG 4.09Å; A212-W335 PolarHBondContact O-NE1 3.19Å; A212-W335 VanDerWaalsContact O-NE1 3.16Å; V214-W335 HydrophobicContact CB-CH2 3.95Å; V214-W335 HydrophobicContact CG2-CE3 4.47Å; V214-W335 HydrophobicContact CG2-CH2 3.45Å; V214-W335 VanDerWaalsContact CG2-CH2 3.45Å; V214-W335 HydrophobicContact CG2-CZ2 3.9Å; V214-W335 HydrophobicContact CG2-CZ3 3.79Å; V328-W335 HydrophobicContact CB-CH2 4.13Å; V328-W335 HydrophobicContact CB-CZ2 4.5Å; V328-W335 HydrophobicContact CG1-CH2 3.67Å; V328-W335 HydrophobicContact CG1-CZ2 3.93Å; G330-W335 VanDerWaalsContact C-NE1 3.32Å; G330-W335 VanDerWaalsContact O-CD1 3.32Å; G330-W335 PolarHBondContact O-NE1 2.71Å; S331-W335 PolarHBondContact O-N 2.75Å; D332-W335 PolarHBondContact O-N 2.89Å; W335-M337 PolarHBondContact O-N 2.98Å; W335-P340 HydrophobicContact CE3-CG 4.44Å; W335-A343 HydrophobicContact CH2-CB 4.43Å; W335-A343 HydrophobicContact CZ3-CB 3.93Å
336N95.8Very high97.6Very high73 Ų7320 Ų2039%0.3911%0.108SC..THydrogen-bonded Turntrans-62.9-19.4170.1-79.6-36.6000113.7D332 L334 W373 R376D332-N336 VanDerWaalsContact O-CB 3.31Å; D332-N336 WeakPolarHBondContact O-CB 3.48Å; D332-N336 PolarHBondContact O-N 3.05Å; D332-N336 PolarHBondContact O-ND2 3.41Å; D332-N336 PolarHBondContact OD1-ND2 3.26Å; D332-N336 PolarHBondContact OD2-ND2 3.01Å; L334-N336 VanDerWaalsContact C-N 3.35Å; L334-N336 PolarHBondContact O-N 2.68Å; N336-W373 HydrophobicContact CB-CZ2 4.1Å; N336-R376 PolarHBondContact O-NH1 3.09Å
337M96.7Very high97.5Very high7 Ų719.9 Ų19.93%0.03411%0.107CC..THydrogen-bonded Turntrans-114.5-35.1-176.9-65.7-60.9127.700113.9L334 W335 S369 R372 W373 R376 L378L334-M337 PolarHBondContact O-N 3.16Å; W335-M337 PolarHBondContact O-N 2.98Å; M337-S369 VanDerWaalsContact CB-OG 3.3Å; M337-S369 WeakPolarHBondContact CB-OG 3.3Å; M337-S369 WeakPolarHBondContact CG-OG 3.25Å; M337-R372 HydrophobicContact CB-CB 3.95Å; M337-R372 HydrophobicContact CG-CB 4.14Å; M337-R372 WeakPolarHBondContact O-CD 3.27Å; M337-R372 PolarHBondContact O-NH1 3.22Å; M337-R372 HydrophobicContact SD-CB 3.86Å; M337-W373 HydrophobicContact CE-CD2 3.61Å; M337-W373 HydrophobicContact CE-CE3 3.69Å; M337-W373 HydrophobicContact CE-CG 4.29Å; M337-W373 HydrophobicContact CE-CH2 3.81Å; M337-W373 HydrophobicContact CE-CZ2 3.74Å; M337-W373 HydrophobicContact CE-CZ3 3.8Å; M337-W373 VanDerWaalsContact CG-CD1 3.48Å; M337-W373 HydrophobicContact CG-CD2 3.96Å; M337-W373 HydrophobicContact CG-CG 3.83Å; M337-W373 HydrophobicContact CG-CZ2 4.33Å; M337-W373 VanDerWaalsContact CG-NE1 3.33Å; M337-W373 HydrophobicContact SD-CD2 4.02Å; M337-W373 HydrophobicContact SD-CG 4.06Å; M337-R376 VanDerWaalsContact CE-NH1 3.32Å; M337-R376 PolarHBondContact SD-NH1 3.25Å; M337-L378 HydrophobicContact CE-CD1 4.07Å
338V97.9Very high97.3Very high0 Ų020.9 Ų20.90%011%0.112CC..SBendtrans-118.1109.3-174-171.50000110L334 E342 A343 M346L334-V338 HydrophobicContact CD1-CB 3.96Å; L334-V338 HydrophobicContact CD1-CG2 3.84Å; L334-V338 PolarHBondContact O-N 3.33Å; V338-E342 HydrophobicContact CG1-CB 4.27Å; V338-E342 HydrophobicContact CG1-CG 4.47Å; V338-A343 HydrophobicContact CG1-CB 3.95Å; V338-M346 HydrophobicContact CG1-SD 4.39Å
339P98.2Very high96.9Very high65 Ų6526.5 Ų26.542%0.42214%0.136SC..  trans-60.4146.2176.2-24.434.5000112.6Q341 E342 A343P339-Q341 VanDerWaalsContact C-N 3.32Å; P339-Q341 PolarHBondContact O-N 2.96Å; P339-Q341 VanDerWaalsContact O-N 3.17Å; P339-E342 HydrophobicContact CB-CB 4.43Å; P339-E342 WeakPolarHBondContact CD-OE2 3.22Å; P339-E342 WeakPolarHBondContact O-CA 3.02Å; P339-E342 WeakPolarHBondContact O-CB 3.24Å; P339-E342 PolarHBondContact O-N 2.89Å; P339-A343 PolarHBondContact O-N 2.63Å
340P98.4Very high96.5Very high28 Ų2827 Ų2718%0.18214%0.139CC..Hα-helixtrans-48-45.6-179.4-34.238.4000115.2V214 A228 E230 W335 E342 A343 I344V214-P340 HydrophobicContact CG1-CB 3.97Å; V214-P340 HydrophobicContact CG2-CB 3.87Å; V214-P340 HydrophobicContact CG2-CG 4.11Å; A228-P340 VanDerWaalsContact CB-C 3.43Å; A228-P340 HydrophobicContact CB-CB 3.92Å; A228-P340 WeakPolarHBondContact CB-O 3.35Å; E230-P340 HydrophobicContact CG-CB 4.17Å; E230-P340 HydrophobicContact CG-CG 3.81Å; W335-P340 HydrophobicContact CE3-CG 4.44Å; P340-E342 VanDerWaalsContact C-N 3.34Å; P340-E342 PolarHBondContact O-N 2.73Å; P340-A343 PolarHBondContact O-N 2.89Å; P340-I344 WeakPolarHBondContact O-CG1 3.37Å; P340-I344 PolarHBondContact O-N 3.04Å; P340-I344 VanDerWaalsContact O-N 3.13Å
341Q98.4Very high95.9Very high60 Ų6028.7 Ų28.728%0.2815%0.148SC..Hα-helixtrans-69-30.3178.8-173.658.174.200113.2I226 A228 P339 S345I226-Q341 PolarHBondContact O-NE2 2.63Å; A228-Q341 HydrophobicContact CB-CB 4.12Å; P339-Q341 VanDerWaalsContact C-N 3.32Å; P339-Q341 PolarHBondContact O-N 2.96Å; P339-Q341 VanDerWaalsContact O-N 3.17Å; Q341-S345 PolarHBondContact NE2-OG 2.83Å; Q341-S345 WeakPolarHBondContact O-CB 3.37Å; Q341-S345 PolarHBondContact O-N 2.82Å; Q341-S345 PolarHBondContact O-OG 2.9Å; Q341-S345 VanDerWaalsContact O-OG 3.13Å
342E98.4Very high95.3Very high59 Ų5934.7 Ų34.728%0.27618%0.176SC..Hα-helixtrans-71.5-42.4174.3-168179.8164.100110.6V338 P339 P340 I344 S345 M346 H368 R372V338-E342 HydrophobicContact CG1-CB 4.27Å; V338-E342 HydrophobicContact CG1-CG 4.47Å; P339-E342 HydrophobicContact CB-CB 4.43Å; P339-E342 WeakPolarHBondContact CD-OE2 3.22Å; P339-E342 WeakPolarHBondContact O-CA 3.02Å; P339-E342 WeakPolarHBondContact O-CB 3.24Å; P339-E342 PolarHBondContact O-N 2.89Å; P340-E342 VanDerWaalsContact C-N 3.34Å; P340-E342 PolarHBondContact O-N 2.73Å; E342-I344 PolarHBondContact O-N 3.14Å; E342-S345 CarbonylContact O-C 3.58Å; E342-S345 PolarHBondContact O-N 3.38Å; E342-M346 WeakPolarHBondContact O-CG 3.45Å; E342-M346 PolarHBondContact O-N 3.36Å; E342-H368 IonicContact OE1-CD2 3.93Å; E342-H368 IonicContact OE1-CE1 3.98Å; E342-H368 IonicContact OE1-NE2 3.96Å; E342-H368 PolarHBondContact OE1-NE2 2.94Å; E342-R372 IonicContact OE1-CZ 3.13Å; E342-R372 IonicContact OE1-NH1 2.79Å; E342-R372 IonicContact OE1-NH2 2.66Å; E342-R372 PolarHBondContact OE1-NH2 3.27Å; E342-R372 IonicContact OE2-CZ 3.79Å; E342-R372 IonicContact OE2-NH1 2.71Å; E342-R372 PolarHBondContact OE2-NH1 2.61Å; E342-R372 IonicContact OE2-NH2 3.19Å; E342-R372 PolarHBondContact OE2-NH2 3.31Å
343A98.4Very high94.5Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-58.7-47.5177.500000112.1W335 V338 P339 P340 S345 M346 C347 L365W335-A343 HydrophobicContact CH2-CB 4.43Å; W335-A343 HydrophobicContact CZ3-CB 3.93Å; V338-A343 HydrophobicContact CG1-CB 3.95Å; P339-A343 PolarHBondContact O-N 2.63Å; P340-A343 PolarHBondContact O-N 2.89Å; A343-S345 PolarHBondContact O-N 3.03Å; A343-M346 WeakPolarHBondContact O-CB 3.47Å; A343-M346 PolarHBondContact O-N 3.16Å; A343-M346 VanDerWaalsContact O-N 3.15Å; A343-C347 PolarHBondContact O-N 2.86Å; A343-C347 PolarHBondContact O-SG 3.49Å; A343-C347 VanDerWaalsContact O-SG 3.36Å; A343-L365 HydrophobicContact CB-CD2 3.72Å
344I98.3Very high93.2Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-62.2-41.6176.3-65.6-58.6000111.7V214 I226 A228 Y326 V328 P340 E342 M346 C347 Q348V214-I344 HydrophobicContact CG1-CD1 4.16Å; V214-I344 HydrophobicContact CG1-CG1 3.97Å; I226-I344 HydrophobicContact CB-CG2 3.84Å; I226-I344 HydrophobicContact CG2-CG2 3.57Å; I226-I344 WeakPolarHBondContact O-CG2 3.48Å; A228-I344 HydrophobicContact CB-CB 4.35Å; A228-I344 HydrophobicContact CB-CG1 3.78Å; Y326-I344 HydrophobicContact CD2-CD1 4.45Å; Y326-I344 HydrophobicContact CD2-CG2 4.31Å; V328-I344 HydrophobicContact CG2-CD1 3.96Å; P340-I344 WeakPolarHBondContact O-CG1 3.37Å; P340-I344 PolarHBondContact O-N 3.04Å; P340-I344 VanDerWaalsContact O-N 3.13Å; E342-I344 PolarHBondContact O-N 3.14Å; I344-M346 VanDerWaalsContact C-N 3.28Å; I344-M346 PolarHBondContact O-N 2.98Å; I344-C347 PolarHBondContact O-N 3.37Å; I344-Q348 WeakPolarHBondContact O-CB 3.48Å; I344-Q348 PolarHBondContact O-N 3.28Å
345S97.1Very high91.5Very high37 Ų3746.7 Ų46.726%0.25924%0.241SC..Hα-helixtrans-71.6-17.5176.1-64.60000114.1Q341 E342 A343 K349Q341-S345 PolarHBondContact NE2-OG 2.83Å; Q341-S345 WeakPolarHBondContact O-CB 3.37Å; Q341-S345 PolarHBondContact O-N 2.82Å; Q341-S345 PolarHBondContact O-OG 2.9Å; Q341-S345 VanDerWaalsContact O-OG 3.13Å; E342-S345 CarbonylContact O-C 3.58Å; E342-S345 PolarHBondContact O-N 3.38Å; A343-S345 PolarHBondContact O-N 3.03Å; S345-K349 WeakPolarHBondContact O-CD 3.31Å; S345-K349 VanDerWaalsContact O-CG 3.29Å; S345-K349 WeakPolarHBondContact O-CG 3.49Å; S345-K349 PolarHBondContact O-N 3.42Å
346M96.4Very high89.7Confident22 Ų2249.3 Ų49.311%0.10826%0.262CS..Hα-helixtrans-77.1-48.1168.5-75.7177.664.200111.2V338 E342 A343 I344 Q348 K349 N350 Q364 L365 H368V338-M346 HydrophobicContact CG1-SD 4.39Å; E342-M346 WeakPolarHBondContact O-CG 3.45Å; E342-M346 PolarHBondContact O-N 3.36Å; A343-M346 WeakPolarHBondContact O-CB 3.47Å; A343-M346 PolarHBondContact O-N 3.16Å; A343-M346 VanDerWaalsContact O-N 3.15Å; I344-M346 VanDerWaalsContact C-N 3.28Å; I344-M346 PolarHBondContact O-N 2.98Å; M346-Q348 VanDerWaalsContact C-N 3.3Å; M346-Q348 PolarHBondContact O-N 2.98Å; M346-K349 PolarHBondContact O-N 3.21Å; M346-N350 WeakPolarHBondContact O-CB 3.4Å; M346-N350 PolarHBondContact O-N 3.35Å; M346-Q364 HydrophobicContact CE-CG 3.95Å; M346-L365 HydrophobicContact CB-CD2 4Å; M346-L365 HydrophobicContact CE-CD2 4.08Å; M346-L365 HydrophobicContact SD-CD2 3.94Å; M346-H368 HydrophobicContact CE-CB 3.69Å; M346-H368 HydrophobicContact SD-CB 4.38Å; M346-H368 PolarHBondContact SD-CD2 2.9Å
347C95.1Very high88Confident0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-56.7-44.7175-610000111.7Y326 A343 I344 K349 N350 D351Y326-C347 HydrophobicContact CD1-CB 3.96Å; Y326-C347 HydrophobicContact CD2-CB 4.31Å; Y326-C347 HydrophobicContact CE1-CB 3.86Å; Y326-C347 HydrophobicContact CE2-CB 4.21Å; Y326-C347 HydrophobicContact CG-CB 4.21Å; A343-C347 PolarHBondContact O-N 2.86Å; A343-C347 PolarHBondContact O-SG 3.49Å; A343-C347 VanDerWaalsContact O-SG 3.36Å; I344-C347 PolarHBondContact O-N 3.37Å; C347-K349 PolarHBondContact O-N 2.68Å; C347-N350 PolarHBondContact O-N 2.98Å; C347-D351 VanDerWaalsContact O-CG 3.27Å; C347-D351 PolarHBondContact O-N 3.33Å; C347-D351 VanDerWaalsContact O-N 3.09Å
348Q93.3Very high86.9Confident21 Ų2151.4 Ų51.410%0.09829%0.286CS..Hα-helixtrans-57.1-48.3175.8-176.7-180-15.800112.3P224 I226 Y326 I344 M346 D351 E352P224-Q348 PolarHBondContact O-NE2 2.88Å; I226-Q348 HydrophobicContact CD1-CB 4.18Å; I226-Q348 HydrophobicContact CD1-CG 3.91Å; Y326-Q348 HydrophobicContact CE2-CB 4.37Å; Y326-Q348 WeakPolarHBondContact OH-CA 3.38Å; I344-Q348 WeakPolarHBondContact O-CB 3.48Å; I344-Q348 PolarHBondContact O-N 3.28Å; M346-Q348 VanDerWaalsContact C-N 3.3Å; M346-Q348 PolarHBondContact O-N 2.98Å; Q348-D351 PolarHBondContact O-N 2.88Å; Q348-E352 VanDerWaalsContact CG-OE1 3.3Å; Q348-E352 WeakPolarHBondContact CG-OE1 2.96Å; Q348-E352 PolarHBondContact NE2-OE1 3.4Å; Q348-E352 WeakPolarHBondContact O-CG 3.32Å; Q348-E352 PolarHBondContact O-N 3.07Å
349K91.9Very high86.4Confident119 Ų11954.7 Ų54.752%0.51731%0.306SS..Hα-helixtrans-66.6-40179.4-73.7174.3-178.5-175.60112.9S345 M346 C347 D351 E352 E353S345-K349 WeakPolarHBondContact O-CD 3.31Å; S345-K349 VanDerWaalsContact O-CG 3.29Å; S345-K349 WeakPolarHBondContact O-CG 3.49Å; S345-K349 PolarHBondContact O-N 3.42Å; M346-K349 PolarHBondContact O-N 3.21Å; C347-K349 PolarHBondContact O-N 2.68Å; K349-D351 PolarHBondContact O-N 2.71Å; K349-E352 PolarHBondContact O-N 3.07Å; K349-E353 VanDerWaalsContact O-CB 3.27Å; K349-E353 WeakPolarHBondContact O-CB 3.39Å; K349-E353 WeakPolarHBondContact O-CG 3.25Å; K349-E353 PolarHBondContact O-N 3.38Å
350N89.4Confident86.1Confident12 Ų1251.6 Ų51.66%0.06429%0.286CS..Hα-helixtrans-61.9-33.1177.7-163.185.8000111.4M346 C347 V354 V359 S361 Q364 H401M346-N350 WeakPolarHBondContact O-CB 3.4Å; M346-N350 PolarHBondContact O-N 3.35Å; C347-N350 PolarHBondContact O-N 2.98Å; N350-V354 VanDerWaalsContact O-CG2 3.32Å; N350-V354 WeakPolarHBondContact O-CG2 3.31Å; N350-V354 PolarHBondContact O-N 2.86Å; N350-V359 PolarHBondContact ND2-O 2.71Å; N350-S361 PolarHBondContact ND2-OG 3.36Å; N350-Q364 PolarHBondContact OD1-NE2 2.91Å; N350-H401 PolarHBondContact ND2-CD2 2.67Å; N350-H401 PolarHBondContact ND2-NE2 3.12Å
351D86Confident85.9Confident35 Ų3550.4 Ų50.419%0.18728%0.278CS..Hα-helixtrans-78.6-30.9175-68.93.8000113.7R8 Y326 C347 Q348 K349 V354R8-D351 IonicContact CZ-OD1 3.11Å; R8-D351 IonicContact NH1-OD1 3.87Å; R8-D351 PolarHBondContact NH1-OD1 3.05Å; R8-D351 IonicContact NH2-OD1 3.28Å; R8-D351 PolarHBondContact NH2-OD1 2.66Å; R8-D351 IonicContact NH2-OD2 2.96Å; R8-D351 PolarHBondContact NH2-OD2 2.79Å; Y326-D351 WeakPolarHBondContact CE1-OD2 3.21Å; Y326-D351 VanDerWaalsContact CZ-OD2 3.28Å; Y326-D351 VanDerWaalsContact OH-CG 3.31Å; Y326-D351 PolarHBondContact OH-OD2 3.29Å; C347-D351 VanDerWaalsContact O-CG 3.27Å; C347-D351 PolarHBondContact O-N 3.33Å; C347-D351 VanDerWaalsContact O-N 3.09Å; Q348-D351 PolarHBondContact O-N 2.88Å; K349-D351 PolarHBondContact O-N 2.71Å; D351-V354 VanDerWaalsContact O-CG2 3.26Å; D351-V354 WeakPolarHBondContact O-CG2 3.18Å
352E84.9Confident85.7Confident125 Ų12547.5 Ų47.558%0.58427%0.265SS*.Hα-helixtrans-75.8-31.6173.3-73.3170.8-17300112.4Q348 K349Q348-E352 VanDerWaalsContact CG-OE1 3.3Å; Q348-E352 WeakPolarHBondContact CG-OE1 2.96Å; Q348-E352 PolarHBondContact NE2-OE1 3.4Å; Q348-E352 WeakPolarHBondContact O-CG 3.32Å; Q348-E352 PolarHBondContact O-N 3.07Å; K349-E352 PolarHBondContact O-N 3.07Å
353E78.9Confident85.6Confident139 Ų13948.5 Ų48.565%0.6527%0.266SS*.SBendtrans-96.614.3-176.7-65.4179.9-172.500113.7K349 V355K349-E353 VanDerWaalsContact O-CB 3.27Å; K349-E353 WeakPolarHBondContact O-CB 3.39Å; K349-E353 WeakPolarHBondContact O-CG 3.25Å; K349-E353 PolarHBondContact O-N 3.38Å; E353-V355 WeakPolarHBondContact O-CG2 3.41Å; E353-V355 PolarHBondContact O-N 2.7Å
354V68.4Low85.4Confident49 Ų4951 Ų5130%0.29728%0.277SS..  trans-48.7101.7-170.9169.60000113.4N350 D351 T399N350-V354 VanDerWaalsContact O-CG2 3.32Å; N350-V354 WeakPolarHBondContact O-CG2 3.31Å; N350-V354 PolarHBondContact O-N 2.86Å; D351-V354 VanDerWaalsContact O-CG2 3.26Å; D351-V354 WeakPolarHBondContact O-CG2 3.18Å; V354-T399 WeakPolarHBondContact CG1-O 3.42Å; V354-T399 WeakPolarHBondContact CG1-OG1 3.3Å
355V62.3Low85.4Confident93 Ų9351 Ų5156%0.56428%0.277SS*.  trans-95.8135.7171.1-165.90000109.2E353 C357 G358E353-V355 WeakPolarHBondContact O-CG2 3.41Å; E353-V355 PolarHBondContact O-N 2.7Å; V355-C357 PolarHBondContact O-N 3.07Å; V355-G358 PolarHBondContact O-N 2.88Å
356P59.4Low85.3Confident91 Ų9149.2 Ų49.259%0.59127%0.265SS*.THydrogen-bonded Turntrans-50.1131.4165.7-27.735.9000111.4G358P356-G358 VanDerWaalsContact C-N 3.29Å; P356-G358 PolarHBondContact O-N 3.3Å
357C60.4Low85.3Confident100 Ų10051 Ų5168%0.67628%0.279SS*.THydrogen-bonded Turntrans64.218.4-172.1-58.60000116.4V355V355-C357 PolarHBondContact O-N 3.07Å
358G73.4Confident85.3Confident24 Ų2453 Ų5325%0.24729%0.289CS..PPolyproline II helixtrans-64.2169.3166.700000113.7V355 P356 H401V355-G358 PolarHBondContact O-N 2.88Å; P356-G358 VanDerWaalsContact C-N 3.29Å; P356-G358 PolarHBondContact O-N 3.3Å; G358-H401 WeakPolarHBondContact CA-ND1 3.39Å; G358-H401 PolarHBondContact O-ND1 3.22Å; G358-H401 VanDerWaalsContact O-ND1 3.17Å
359V86.4Confident85.5Confident70 Ų7052 Ų5242%0.42428%0.284SS..PPolyproline II helixtrans-81.6151.8176-67.20000111.8N350 Q364 H401N350-V359 PolarHBondContact ND2-O 2.71Å; V359-Q364 HydrophobicContact CG2-CB 4.36Å; V359-H401 PolarHBondContact O-CD2 3.28Å
360S91.6Very high85.6Confident0 Ų048.1 Ų48.10%027%0.269CS..PPolyproline II helixtrans-71154.5175.563.60000113.4A362 R363 Q364 E403 E404S360-A362 VanDerWaalsContact C-N 3.3Å; S360-A362 PolarHBondContact O-N 2.81Å; S360-R363 PolarHBondContact O-N 3.21Å; S360-R363 VanDerWaalsContact O-N 3.16Å; S360-R363 WeakPolarHBondContact OG-CB 3.45Å; S360-R363 PolarHBondContact OG-N 3.23Å; S360-Q364 PolarHBondContact O-N 2.85Å; S360-E403 WeakPolarHBondContact CB-OE2 3.47Å; S360-E403 PolarHBondContact N-OE2 2.94Å; S360-E403 PolarHBondContact OG-OE2 2.72Å; S360-E404 WeakPolarHBondContact CA-OE1 3.38Å; S360-E404 WeakPolarHBondContact CB-OE1 3.36Å
361S94.1Very high85.8Confident2 Ų250.3 Ų50.31%0.01428%0.28CS..Hα-helixtrans-57.2-40.1177.7-72.90000112.8N350 Q364 L365 E404N350-S361 PolarHBondContact ND2-OG 3.36Å; S361-Q364 PolarHBondContact O-N 2.83Å; S361-L365 WeakPolarHBondContact O-CG 3.28Å; S361-L365 PolarHBondContact O-N 3Å; S361-E404 PolarHBondContact N-OE1 2.9Å
362A96.1Very high86.3Confident0 Ų050.9 Ų50.90%028%0.28CS..Hα-helixtrans-63-46.9175.100000112.5S10 F12 S360 Q364 L365 V366 A385 V387S10-A362 WeakPolarHBondContact OG-CB 3.47Å; S10-A362 PolarHBondContact OG-N 2.91Å; F12-A362 HydrophobicContact CB-CB 4.01Å; S360-A362 VanDerWaalsContact C-N 3.3Å; S360-A362 PolarHBondContact O-N 2.81Å; A362-Q364 VanDerWaalsContact C-N 3.3Å; A362-Q364 PolarHBondContact O-N 3Å; A362-L365 PolarHBondContact O-N 3.4Å; A362-V366 WeakPolarHBondContact O-CG2 3.38Å; A362-V366 PolarHBondContact O-N 3.45Å; A362-V366 VanDerWaalsContact O-N 3.14Å; A362-A385 HydrophobicContact CB-CB 4.18Å; A362-V387 HydrophobicContact CB-CB 4.49Å; A362-V387 HydrophobicContact CB-CG2 4.07Å
363R95Very high86.7Confident79 Ų7945.8 Ų45.830%0.29826%0.255SS..Hα-helixtrans-61.8-38.5176.4-178.4-176.8-75.8-92.97111.5F12 S360 S367 E403F12-R363 HydrophobicContact CB-CB 4.16Å; F12-R363 HydrophobicContact CD1-CB 4.31Å; F12-R363 HydrophobicContact CD1-CG 4.33Å; F12-R363 HydrophobicContact CD2-CB 4.09Å; F12-R363 HydrophobicContact CD2-CG 4.15Å; F12-R363 HydrophobicContact CE1-CG 4.4Å; F12-R363 HydrophobicContact CE2-CG 4.27Å; F12-R363 VanDerWaalsContact CE2-NH1 3.35Å; F12-R363 HydrophobicContact CG-CB 3.89Å; F12-R363 HydrophobicContact CG-CG 4.2Å; F12-R363 HydrophobicContact CZ-CG 4.38Å; S360-R363 PolarHBondContact O-N 3.21Å; S360-R363 VanDerWaalsContact O-N 3.16Å; S360-R363 WeakPolarHBondContact OG-CB 3.45Å; S360-R363 PolarHBondContact OG-N 3.23Å; R363-S367 WeakPolarHBondContact O-CB 3.1Å; R363-S367 PolarHBondContact O-N 3.41Å; R363-S367 PolarHBondContact O-OG 3.02Å; R363-E403 WeakPolarHBondContact CB-OE2 3.34Å; R363-E403 WeakPolarHBondContact CD-OE2 3.35Å; R363-E403 IonicContact CZ-OE1 3.83Å; R363-E403 IonicContact NE-OE1 2.9Å; R363-E403 PolarHBondContact NE-OE1 2.94Å; R363-E403 IonicContact NE-OE2 2.69Å; R363-E403 PolarHBondContact NE-OE2 3.24Å; R363-E403 IonicContact NH2-OE1 2.65Å; R363-E403 PolarHBondContact NH2-OE1 3.13Å
364Q94.9Very high87.3Confident52 Ų5247.5 Ų47.524%0.24326%0.256CS..Hα-helixtrans-63.5-47.7178-160.7-163.88000111.9M346 N350 V359 S360 S361 A362 S367 H368M346-Q364 HydrophobicContact CE-CG 3.95Å; N350-Q364 PolarHBondContact OD1-NE2 2.91Å; V359-Q364 HydrophobicContact CG2-CB 4.36Å; S360-Q364 PolarHBondContact O-N 2.85Å; S361-Q364 PolarHBondContact O-N 2.83Å; A362-Q364 VanDerWaalsContact C-N 3.3Å; A362-Q364 PolarHBondContact O-N 3Å; Q364-S367 PolarHBondContact O-N 2.73Å; Q364-H368 WeakPolarHBondContact O-CB 3.24Å; Q364-H368 PolarHBondContact O-N 3.14Å
365L97.3Very high88.6Confident0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-59.2-49.6177.6-72.2177.6000112.5V328 L334 A343 M346 S361 A362 H368 S369 V387V328-L365 HydrophobicContact CG1-CD1 3.93Å; L334-L365 HydrophobicContact CD1-CB 4.07Å; A343-L365 HydrophobicContact CB-CD2 3.72Å; M346-L365 HydrophobicContact CB-CD2 4Å; M346-L365 HydrophobicContact CE-CD2 4.08Å; M346-L365 HydrophobicContact SD-CD2 3.94Å; S361-L365 WeakPolarHBondContact O-CG 3.28Å; S361-L365 PolarHBondContact O-N 3Å; A362-L365 PolarHBondContact O-N 3.4Å; L365-H368 PolarHBondContact O-N 2.64Å; L365-S369 PolarHBondContact O-N 3.01Å; L365-V387 HydrophobicContact CD1-CG2 3.64Å
366V96.6Very high90.1Very high0 Ų052.9 Ų52.90%027%0.266CS..Hα-helixtrans-64-44.9179.2171.10000110.9F12 D14 A362 H368 S369 L370 T383 A385F12-V366 HydrophobicContact CD1-CB 3.67Å; F12-V366 HydrophobicContact CD1-CG1 3.66Å; F12-V366 HydrophobicContact CD1-CG2 4Å; F12-V366 HydrophobicContact CE1-CB 4.2Å; F12-V366 HydrophobicContact CE1-CG1 3.76Å; D14-V366 HydrophobicContact CB-CG1 4.07Å; A362-V366 WeakPolarHBondContact O-CG2 3.38Å; A362-V366 PolarHBondContact O-N 3.45Å; A362-V366 VanDerWaalsContact O-N 3.14Å; V366-H368 VanDerWaalsContact C-N 3.28Å; V366-H368 PolarHBondContact O-N 3.09Å; V366-S369 WeakPolarHBondContact O-CB 3.25Å; V366-S369 PolarHBondContact O-N 3.48Å; V366-S369 VanDerWaalsContact O-N 3.12Å; V366-L370 HydrophobicContact CG1-CD1 3.89Å; V366-L370 HydrophobicContact CG1-CG 4.27Å; V366-L370 WeakPolarHBondContact O-CG 3.4Å; V366-L370 PolarHBondContact O-N 3.33Å; V366-T383 HydrophobicContact CB-CG2 4.26Å; V366-T383 HydrophobicContact CG1-CG2 3.82Å; V366-T383 HydrophobicContact CG2-CG2 4.16Å; V366-A385 HydrophobicContact CG2-CB 3.77Å
367S95.2Very high91.5Very high59 Ų5956.8 Ų56.841%0.41328%0.278SS..Hα-helixtrans-59.5-38.7178.6-60.60000112.4R363 Q364 L371R363-S367 WeakPolarHBondContact O-CB 3.1Å; R363-S367 PolarHBondContact O-N 3.41Å; R363-S367 PolarHBondContact O-OG 3.02Å; Q364-S367 PolarHBondContact O-N 2.73Å; S367-L371 WeakPolarHBondContact O-CB 3.33Å; S367-L371 PolarHBondContact O-N 2.92Å
368H96.1Very high92.8Very high44 Ų4456.2 Ų56.220%0.20427%0.268CS..Hα-helixtrans-70.6-37.5175.5-174.862.1000112.7E342 M346 Q364 L365 V366 L371 R372E342-H368 IonicContact OE1-CD2 3.93Å; E342-H368 IonicContact OE1-CE1 3.98Å; E342-H368 IonicContact OE1-NE2 3.96Å; E342-H368 PolarHBondContact OE1-NE2 2.94Å; M346-H368 HydrophobicContact CE-CB 3.69Å; M346-H368 HydrophobicContact SD-CB 4.38Å; M346-H368 PolarHBondContact SD-CD2 2.9Å; Q364-H368 WeakPolarHBondContact O-CB 3.24Å; Q364-H368 PolarHBondContact O-N 3.14Å; L365-H368 PolarHBondContact O-N 2.64Å; V366-H368 VanDerWaalsContact C-N 3.28Å; V366-H368 PolarHBondContact O-N 3.09Å; H368-L371 WeakPolarHBondContact O-CB 3.35Å; H368-L371 PolarHBondContact O-N 3.46Å; H368-R372 WeakPolarHBondContact O-CG 3.48Å; H368-R372 PolarHBondContact O-N 3.17Å
369S96.4Very high93.4Very high0 Ų062 Ų620%028%0.283CS..Hα-helixtrans-61.4-51.6171.5179.50000111.9G333 M337 L365 V366 L371 R372 W373G333-S369 PolarHBondContact O-OG 2.69Å; M337-S369 VanDerWaalsContact CB-OG 3.3Å; M337-S369 WeakPolarHBondContact CB-OG 3.3Å; M337-S369 WeakPolarHBondContact CG-OG 3.25Å; L365-S369 PolarHBondContact O-N 3.01Å; V366-S369 WeakPolarHBondContact O-CB 3.25Å; V366-S369 PolarHBondContact O-N 3.48Å; V366-S369 VanDerWaalsContact O-N 3.12Å; S369-L371 VanDerWaalsContact C-N 3.25Å; S369-L371 PolarHBondContact O-N 3.18Å; S369-R372 CarbonylContact O-C 3.55Å; S369-R372 WeakPolarHBondContact O-CA 3.47Å; S369-R372 WeakPolarHBondContact O-CB 3.27Å; S369-R372 PolarHBondContact O-N 2.86Å; S369-W373 VanDerWaalsContact O-CD1 3.27Å; S369-W373 PolarHBondContact O-N 2.97Å; S369-W373 PolarHBondContact OG-NE1 2.72Å
370L94Very high93.3Very high37 Ų3759.5 Ų59.519%0.19427%0.269CS..Hα-helixtrans-59.2-37.5178.4-64169000111.8D14 V366 R374 A380D14-L370 HydrophobicContact CB-CD1 3.64Å; D14-L370 HydrophobicContact CB-CD2 4.4Å; V366-L370 HydrophobicContact CG1-CD1 3.89Å; V366-L370 HydrophobicContact CG1-CG 4.27Å; V366-L370 WeakPolarHBondContact O-CG 3.4Å; V366-L370 PolarHBondContact O-N 3.33Å; L370-R374 WeakPolarHBondContact O-CB 3.29Å; L370-R374 PolarHBondContact O-N 2.83Å; L370-A380 HydrophobicContact CD2-CB 4.1Å
371L94.5Very high93.1Very high57 Ų5760.4 Ų60.430%0.29827%0.274SS..Hα-helixtrans-59.8-43.5171.4175.562.2000111.6S367 H368 S369 R374 Q375S367-L371 WeakPolarHBondContact O-CB 3.33Å; S367-L371 PolarHBondContact O-N 2.92Å; H368-L371 WeakPolarHBondContact O-CB 3.35Å; H368-L371 PolarHBondContact O-N 3.46Å; S369-L371 VanDerWaalsContact C-N 3.25Å; S369-L371 PolarHBondContact O-N 3.18Å; L371-R374 PolarHBondContact O-N 2.84Å; L371-Q375 HydrophobicContact CD1-CG 4.27Å; L371-Q375 HydrophobicContact CG-CG 4.5Å; L371-Q375 WeakPolarHBondContact O-CB 3.36Å; L371-Q375 VanDerWaalsContact O-CG 3.25Å; L371-Q375 WeakPolarHBondContact O-CG 3.41Å; L371-Q375 PolarHBondContact O-N 2.92Å
372R95.6Very high93Very high47 Ų4760.4 Ų60.418%0.17727%0.274CS..Hα-helixtrans-70.1-40.5177.6-77-176.6166.9-177.32.5113.6M337 E342 H368 S369 R374 Q375 R376M337-R372 HydrophobicContact CB-CB 3.95Å; M337-R372 HydrophobicContact CG-CB 4.14Å; M337-R372 WeakPolarHBondContact O-CD 3.27Å; M337-R372 PolarHBondContact O-NH1 3.22Å; M337-R372 HydrophobicContact SD-CB 3.86Å; E342-R372 IonicContact OE1-CZ 3.13Å; E342-R372 IonicContact OE1-NH1 2.79Å; E342-R372 IonicContact OE1-NH2 2.66Å; E342-R372 PolarHBondContact OE1-NH2 3.27Å; E342-R372 IonicContact OE2-CZ 3.79Å; E342-R372 IonicContact OE2-NH1 2.71Å; E342-R372 PolarHBondContact OE2-NH1 2.61Å; E342-R372 IonicContact OE2-NH2 3.19Å; E342-R372 PolarHBondContact OE2-NH2 3.31Å; H368-R372 WeakPolarHBondContact O-CG 3.48Å; H368-R372 PolarHBondContact O-N 3.17Å; S369-R372 CarbonylContact O-C 3.55Å; S369-R372 WeakPolarHBondContact O-CA 3.47Å; S369-R372 WeakPolarHBondContact O-CB 3.27Å; S369-R372 PolarHBondContact O-N 2.86Å; R372-R374 VanDerWaalsContact C-N 3.3Å; R372-R374 PolarHBondContact O-N 3.12Å; R372-Q375 PolarHBondContact O-N 3.31Å; R372-R376 WeakPolarHBondContact O-CB 3.08Å; R372-R376 WeakPolarHBondContact O-CG 3.24Å; R372-R376 PolarHBondContact O-N 3.02Å
373W93.8Very high93Very high18 Ų1860.4 Ų60.47%0.06827%0.274CS..Hα-helixtrans-52.8-50.6169.9-79.9109.6000110.3G333 N336 M337 S369 R376 M377 L378 R379 A380 D381G333-W373 PolarHBondContact O-NE1 3.41Å; N336-W373 HydrophobicContact CB-CZ2 4.1Å; M337-W373 HydrophobicContact CE-CD2 3.61Å; M337-W373 HydrophobicContact CE-CE3 3.69Å; M337-W373 HydrophobicContact CE-CG 4.29Å; M337-W373 HydrophobicContact CE-CH2 3.81Å; M337-W373 HydrophobicContact CE-CZ2 3.74Å; M337-W373 HydrophobicContact CE-CZ3 3.8Å; M337-W373 VanDerWaalsContact CG-CD1 3.48Å; M337-W373 HydrophobicContact CG-CD2 3.96Å; M337-W373 HydrophobicContact CG-CG 3.83Å; M337-W373 HydrophobicContact CG-CZ2 4.33Å; M337-W373 VanDerWaalsContact CG-NE1 3.33Å; M337-W373 HydrophobicContact SD-CD2 4.02Å; M337-W373 HydrophobicContact SD-CG 4.06Å; S369-W373 VanDerWaalsContact O-CD1 3.27Å; S369-W373 PolarHBondContact O-N 2.97Å; S369-W373 PolarHBondContact OG-NE1 2.72Å; W373-R376 PolarHBondContact O-N 3.4Å; W373-M377 PolarHBondContact O-N 3.34Å; W373-L378 HydrophobicContact CE3-CB 3.58Å; W373-L378 HydrophobicContact CE3-CD1 4.11Å; W373-L378 HydrophobicContact CZ3-CB 3.96Å; W373-L378 HydrophobicContact CZ3-CD1 4.04Å; W373-L378 PolarHBondContact O-N 2.93Å; W373-R379 VanDerWaalsContact CE3-O 3.3Å; W373-R379 WeakPolarHBondContact CZ3-O 2.85Å; W373-A380 HydrophobicContact CB-CB 3.84Å; W373-A380 HydrophobicContact CD2-CB 4.33Å; W373-A380 HydrophobicContact CG-CB 3.86Å; W373-D381 HydrophobicContact CH2-CB 4.24Å; W373-D381 HydrophobicContact CZ2-CB 3.84Å
374R92.2Very high93Very high175 Ų17556.7 Ų56.766%0.6626%0.26SS*.Hα-helixtrans-62.4-45.5177.2-175.5176.469.4-173.92.8113L370 L371 R372 R376 M377L370-R374 WeakPolarHBondContact O-CB 3.29Å; L370-R374 PolarHBondContact O-N 2.83Å; L371-R374 PolarHBondContact O-N 2.84Å; R372-R374 VanDerWaalsContact C-N 3.3Å; R372-R374 PolarHBondContact O-N 3.12Å; R374-R376 VanDerWaalsContact C-N 3.31Å; R374-R376 PolarHBondContact O-N 2.75Å; R374-M377 PolarHBondContact O-N 3.03Å; R374-M377 VanDerWaalsContact O-N 3.08Å
375Q94.6Very high93.2Very high125 Ų12554.2 Ų54.258%0.58425%0.248SC*.Hα-helixtrans-62.8-35.6178.3-77.9169.8-14.300112.6L371 R372 M377L371-Q375 HydrophobicContact CD1-CG 4.27Å; L371-Q375 HydrophobicContact CG-CG 4.5Å; L371-Q375 WeakPolarHBondContact O-CB 3.36Å; L371-Q375 VanDerWaalsContact O-CG 3.25Å; L371-Q375 WeakPolarHBondContact O-CG 3.41Å; L371-Q375 PolarHBondContact O-N 2.92Å; R372-Q375 PolarHBondContact O-N 3.31Å; Q375-M377 PolarHBondContact O-N 2.92Å
376R94Very high93.2Very high131 Ų13154.2 Ų54.249%0.49425%0.248SC..THydrogen-bonded Turntrans-77.81.2175.7-67.4175.2-179.2175.3-0.2113.3N336 M337 R372 W373 R374 L378N336-R376 PolarHBondContact O-NH1 3.09Å; M337-R376 VanDerWaalsContact CE-NH1 3.32Å; M337-R376 PolarHBondContact SD-NH1 3.25Å; R372-R376 WeakPolarHBondContact O-CB 3.08Å; R372-R376 WeakPolarHBondContact O-CG 3.24Å; R372-R376 PolarHBondContact O-N 3.02Å; W373-R376 PolarHBondContact O-N 3.4Å; R374-R376 VanDerWaalsContact C-N 3.31Å; R374-R376 PolarHBondContact O-N 2.75Å; R376-L378 HydrophobicContact CB-CD1 3.86Å; R376-L378 HydrophobicContact CB-CG 3.91Å; R376-L378 PolarHBondContact O-N 3.42Å
377M90Very high93.3Very high172 Ų17254.3 Ų54.385%0.84725%0.249SC*.THydrogen-bonded Turntrans55.230.4-174-60.5-67.5174.700113.3W373 R374 Q375W373-M377 PolarHBondContact O-N 3.34Å; R374-M377 PolarHBondContact O-N 3.03Å; R374-M377 VanDerWaalsContact O-N 3.08Å; Q375-M377 PolarHBondContact O-N 2.92Å
378L87.9Confident93.3Very high89 Ų8951.5 Ų51.547%0.46623%0.229SC..PPolyproline II helixtrans-96.8148.8177.4-65.1174.7000109.9M337 W373 R376 A380M337-L378 HydrophobicContact CE-CD1 4.07Å; W373-L378 HydrophobicContact CE3-CB 3.58Å; W373-L378 HydrophobicContact CE3-CD1 4.11Å; W373-L378 HydrophobicContact CZ3-CB 3.96Å; W373-L378 HydrophobicContact CZ3-CD1 4.04Å; W373-L378 PolarHBondContact O-N 2.93Å; R376-L378 HydrophobicContact CB-CD1 3.86Å; R376-L378 HydrophobicContact CB-CG 3.91Å; R376-L378 PolarHBondContact O-N 3.42Å; L378-A380 PolarHBondContact O-N 2.82Å
379R85.9Confident93.2Very high145 Ų14549.5 Ų49.555%0.54722%0.221SC..PPolyproline II helixtrans-67.3120.4165.7-178-172.4-176.2167.24.6107.9G17 W373G17-R379 PolarHBondContact O-NH2 3.04Å; W373-R379 VanDerWaalsContact CE3-O 3.3Å; W373-R379 WeakPolarHBondContact CZ3-O 2.85Å
380A83.9Confident93Very high17 Ų1749.6 Ų49.614%0.1422%0.221CC..PPolyproline II helixtrans-55.8152.5176.100000112.1R18 L370 W373 L378R18-A380 PolarHBondContact NE-O 3.08Å; L370-A380 HydrophobicContact CD2-CB 4.1Å; W373-A380 HydrophobicContact CB-CB 3.84Å; W373-A380 HydrophobicContact CD2-CB 4.33Å; W373-A380 HydrophobicContact CG-CB 3.86Å; L378-A380 PolarHBondContact O-N 2.82Å
381D87.3Confident92.6Very high20 Ų2048.8 Ų48.811%0.10722%0.217CC..PPolyproline II helixtrans-95.5166.1167.5-125-43.1000110.9G16 R18 W373 T383G16-D381 WeakPolarHBondContact CA-O 3.46Å; R18-D381 WeakPolarHBondContact CD-OD1 3.37Å; R18-D381 IonicContact CZ-OD1 3.94Å; R18-D381 IonicContact CZ-OD2 2.92Å; R18-D381 IonicContact NE-OD1 2.92Å; R18-D381 PolarHBondContact NE-OD1 3.41Å; R18-D381 IonicContact NE-OD2 3.28Å; R18-D381 IonicContact NH1-OD1 3.29Å; R18-D381 PolarHBondContact NH1-OD1 2.89Å; R18-D381 IonicContact NH1-OD2 2.67Å; R18-D381 PolarHBondContact NH1-OD2 3.34Å; R18-D381 IonicContact NH2-OD1 3.26Å; R18-D381 PolarHBondContact NH2-OD1 3.04Å; R18-D381 IonicContact NH2-OD2 3.5Å; R18-D381 PolarHBondContact NH2-OD2 2.93Å; W373-D381 HydrophobicContact CH2-CB 4.24Å; W373-D381 HydrophobicContact CZ2-CB 3.84Å; D381-T383 PolarHBondContact O-N 3.05Å; D381-T383 PolarHBondContact O-OG1 2.91Å
382N92.1Very high91.7Very high2 Ų251.3 Ų51.31%0.01123%0.227CC..PPolyproline II helixtrans-54.9128.7163.3-55.980.4000107.6Q15 R18 M21 D23 S331 G333Q15-N382 PolarHBondContact O-ND2 2.88Å; Q15-N382 PolarHBondContact OE1-ND2 3.11Å; R18-N382 VanDerWaalsContact CB-OD1 3.28Å; R18-N382 WeakPolarHBondContact CB-OD1 3.46Å; M21-N382 PolarHBondContact O-ND2 2.96Å; D23-N382 HydrophobicContact CB-CB 4.28Å; D23-N382 WeakPolarHBondContact OD1-CB 3.48Å; D23-N382 VanDerWaalsContact OD2-C 3.26Å; S331-N382 PolarHBondContact OG-O 2.86Å; G333-N382 WeakPolarHBondContact CA-O 3.43Å
383T95.1Very high90.1Very high0 Ų053.2 Ų53.20%024%0.244CC..EExtended strand (participates in β ladder)trans-137.2114.9-166.3-58.70000110.5T13 D14 D23 S331 L334 V366 D381T13-T383 WeakPolarHBondContact CA-O 3.33Å; D14-T383 PolarHBondContact N-O 3.42Å; D14-T383 PolarHBondContact O-N 2.84Å; D23-T383 PolarHBondContact OD2-N 3.39Å; S331-T383 WeakPolarHBondContact OG-CA 3.48Å; L334-T383 HydrophobicContact CB-CG2 4.36Å; V366-T383 HydrophobicContact CB-CG2 4.26Å; V366-T383 HydrophobicContact CG1-CG2 3.82Å; V366-T383 HydrophobicContact CG2-CG2 4.16Å; D381-T383 PolarHBondContact O-N 3.05Å; D381-T383 PolarHBondContact O-OG1 2.91Å
384S96.1Very high88.2Confident0 Ų056.1 Ų56.10%028%0.279CS..EExtended strand (participates in β ladder)trans-132.5147.2-173.9-57.70000112.4F12 T13 D23 G330 S331F12-S384 WeakPolarHBondContact O-CA 3.41Å; T13-S384 VanDerWaalsContact CG2-OG 3.24Å; T13-S384 WeakPolarHBondContact CG2-OG 3.41Å; T13-S384 PolarHBondContact OG1-OG 2.65Å; T13-S384 VanDerWaalsContact OG1-OG 3.07Å; D23-S384 WeakPolarHBondContact CB-OG 3.14Å; D23-S384 VanDerWaalsContact CG-OG 3.25Å; D23-S384 WeakPolarHBondContact OD2-CB 3.5Å; D23-S384 PolarHBondContact OD2-N 2.79Å; D23-S384 PolarHBondContact OD2-OG 3.19Å; G330-S384 WeakPolarHBondContact CA-O 3.21Å; S331-S384 PolarHBondContact N-O 3.14Å; S331-S384 VanDerWaalsContact N-O 3.16Å; S331-S384 PolarHBondContact OG-N 2.8Å
385A98Very high86.3Confident0 Ų050.4 Ų50.40%028%0.275CS..EExtended strand (participates in β ladder)trans-141.5139.9173.900000111.7V11 F12 L329 L334 A362 V366V11-A385 WeakPolarHBondContact CA-O 3.41Å; F12-A385 PolarHBondContact N-O 3.5Å; F12-A385 PolarHBondContact O-N 2.75Å; L329-A385 CarbonylContact O-C 3.57Å; L329-A385 WeakPolarHBondContact O-CA 3.32Å; L334-A385 HydrophobicContact CD2-CB 4.2Å; A362-A385 HydrophobicContact CB-CB 4.18Å; V366-A385 HydrophobicContact CG2-CB 3.77Å
386I98.3Very high84.1Confident0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-116.8123.6160.5-56.8177.6000106.5V9 S10 V11 T25 V27 F119 A120 V121 V328 L329 I388V9-I386 HydrophobicContact CG1-CG2 4.16Å; S10-I386 WeakPolarHBondContact O-CA 3.25Å; V11-I386 HydrophobicContact CG1-CG1 4.2Å; V11-I386 HydrophobicContact CG2-CG1 4.18Å; V11-I386 HydrophobicContact CG2-CG2 4.28Å; T25-I386 HydrophobicContact CG2-CD1 4.45Å; T25-I386 HydrophobicContact CG2-CG1 4.31Å; V27-I386 HydrophobicContact CG2-CD1 4.38Å; F119-I386 HydrophobicContact CB-CD1 4.43Å; F119-I386 HydrophobicContact CD1-CG2 4.23Å; A120-I386 WeakPolarHBondContact O-CD1 3.42Å; V121-I386 HydrophobicContact CG2-CD1 3.91Å; V121-I386 HydrophobicContact CG2-CG1 4Å; V328-I386 WeakPolarHBondContact CA-O 3.47Å; L329-I386 HydrophobicContact CB-CB 4.24Å; L329-I386 HydrophobicContact CD1-CB 4.06Å; L329-I386 HydrophobicContact CD1-CG2 4.12Å; L329-I386 PolarHBondContact N-O 2.75Å; L329-I386 PolarHBondContact O-N 3.47Å; I386-I388 HydrophobicContact CG2-CG1 4.11Å
387V97.9Very high82Confident2 Ų253.3 Ų53.31%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-115.3119175.4179.80000108.8V9 S10 Y326 V328 A362 L365V9-V387 WeakPolarHBondContact CA-O 3.37Å; S10-V387 PolarHBondContact N-O 3.42Å; S10-V387 PolarHBondContact O-N 2.84Å; Y326-V387 HydrophobicContact CD1-CG1 4.46Å; V328-V387 HydrophobicContact CG1-CG2 4.24Å; V328-V387 HydrophobicContact CG2-CG1 4.4Å; V328-V387 HydrophobicContact CG2-CG2 4.31Å; A362-V387 HydrophobicContact CB-CB 4.49Å; A362-V387 HydrophobicContact CB-CG2 4.07Å; L365-V387 HydrophobicContact CD1-CG2 3.64Å
388I96.5Very high80.4Confident0 Ų049.5 Ų49.50%028%0.282CS..EExtended strand (participates in β ladder)trans-109.5101.3176-52.3170.6000107.2M7 V9 F119 Y326 I327 L329 I386 L390M7-I388 HydrophobicContact CB-CG2 3.84Å; M7-I388 HydrophobicContact CG-CG2 4.12Å; M7-I388 HydrophobicContact SD-CG2 3.83Å; V9-I388 HydrophobicContact CG1-CG1 4.39Å; V9-I388 HydrophobicContact CG2-CG1 4.22Å; V9-I388 HydrophobicContact CG2-CG2 4.2Å; F119-I388 HydrophobicContact CB-CD1 4.38Å; F119-I388 HydrophobicContact CD1-CD1 3.73Å; F119-I388 HydrophobicContact CD1-CG1 4.26Å; F119-I388 HydrophobicContact CD2-CD1 3.7Å; F119-I388 HydrophobicContact CE1-CD1 3.84Å; F119-I388 HydrophobicContact CE1-CG1 4.18Å; F119-I388 HydrophobicContact CE2-CD1 3.79Å; F119-I388 HydrophobicContact CG-CD1 3.67Å; F119-I388 HydrophobicContact CZ-CD1 3.87Å; F119-I388 HydrophobicContact CZ-CG1 4.47Å; Y326-I388 CarbonylContact C-O 3.59Å; Y326-I388 WeakPolarHBondContact CA-O 3.42Å; I327-I388 HydrophobicContact CB-CB 4.2Å; I327-I388 HydrophobicContact CB-CD1 4.42Å; I327-I388 HydrophobicContact CD1-CG2 4.46Å; I327-I388 PolarHBondContact N-O 3.49Å; I327-I388 PolarHBondContact O-N 2.92Å; L329-I388 HydrophobicContact CD1-CD1 4.1Å; I386-I388 HydrophobicContact CG2-CG1 4.11Å; I388-L390 HydrophobicContact CG2-CD2 4.24Å
389A94.1Very high79Confident3 Ų349.2 Ų49.23%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-82.9122.317000000109.3M7 R8 R325 Y326M7-A389 CarbonylContact C-O 3.51Å; M7-A389 WeakPolarHBondContact CA-O 3.33Å; M7-A389 WeakPolarHBondContact CB-O 3.41Å; R8-A389 HydrophobicContact CB-CB 4.39Å; R8-A389 PolarHBondContact N-O 3.29Å; R8-A389 PolarHBondContact O-N 3.29Å; R325-A389 WeakPolarHBondContact O-CA 3.12Å; Y326-A389 HydrophobicContact CD1-CB 3.84Å; Y326-A389 HydrophobicContact CE1-CB 3.73Å
390L92.1Very high78.1Confident1 Ų146.1 Ų46.11%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-84.3133.1176.6-61.5175.8000108.9M7 L319 H324 R325 I327 I388M7-L390 HydrophobicContact CB-CD2 4.11Å; L319-L390 HydrophobicContact CD1-CD1 4.22Å; L319-L390 HydrophobicContact CD2-CD1 4.42Å; H324-L390 HydrophobicContact CB-CD1 3.75Å; H324-L390 WeakPolarHBondContact O-CB 3.43Å; H324-L390 WeakPolarHBondContact O-CD1 3.31Å; R325-L390 PolarHBondContact NH1-O 2.95Å; R325-L390 PolarHBondContact O-N 2.85Å; I327-L390 HydrophobicContact CD1-CD1 4.38Å; I327-L390 HydrophobicContact CD1-CD2 4.44Å; I388-L390 HydrophobicContact CG2-CD2 4.24Å
391L85.8Confident77.3Confident20 Ų2045.7 Ų45.711%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-110.5137.5-174.5-57.5-177.4000111.3L6 R8 L406L6-L391 HydrophobicContact CB-CB 4.36Å; L6-L391 HydrophobicContact CD2-CB 4.17Å; L6-L391 HydrophobicContact CD2-CD1 4.16Å; L6-L391 HydrophobicContact CG-CB 4.26Å; L6-L391 HydrophobicContact CG-CD1 4.22Å; L6-L391 PolarHBondContact O-N 2.93Å; R8-L391 HydrophobicContact CB-CD1 4.24Å; L391-L406 HydrophobicContact CD1-CD1 3.7Å
392E75.3Confident76.3Confident111 Ų11150.4 Ų50.452%0.51930%0.295SS..  trans-72.1136.1173.5-69.1-154135.600111.2G394 G395E392-G394 PolarHBondContact O-N 2.86Å; E392-G395 PolarHBondContact O-N 3.44Å
393T60.8Low75.6Confident87 Ų8751.6 Ų51.653%0.53430%0.301SS..THydrogen-bonded Turntrans-73.371.9-177.2-350000111.8
394G54.5Low75Confident78 Ų7852.4 Ų52.480%0.80431%0.305SS*.THydrogen-bonded Turntrans164.5-6.9-17700000115.4E392E392-G394 PolarHBondContact O-N 2.86Å
395G51.8Low74.5Confident56 Ų5654.7 Ų54.758%0.57732%0.319SS*.  trans-59.5155.7173.400000113.3E392E392-G395 PolarHBondContact O-N 3.44Å
396S48.1Very low73.9Confident102 Ų10258.5 Ų58.571%0.71334%0.338SS*.  trans-59.7158.6171.8420000111.9E398S396-E398 PolarHBondContact O-N 3.09Å
397K50.5Low73.3Confident215 Ų21559.1 Ų59.194%0.93534%0.342SS*.  trans-63.897.3169.6-74.9-173.5175.3-175.30110
398E56.4Low72.7Confident91 Ų9160 Ų6043%0.42535%0.346SS..PPolyproline II helixtrans-68.4145.8175.3-73.8162.6-17200111.5S396 F400S396-E398 PolarHBondContact O-N 3.09Å; E398-F400 HydrophobicContact CB-CD1 4.42Å; E398-F400 HydrophobicContact CB-CE1 4.01Å
399T59.1Low72Confident84 Ų8460.4 Ų60.452%0.51535%0.349SS..PPolyproline II helixtrans-74.7117.1163.337.40000109.1V354V354-T399 WeakPolarHBondContact CG1-O 3.42Å; V354-T399 WeakPolarHBondContact CG1-OG1 3.3Å
400F66.4Low71.1Confident80 Ų8062.1 Ų62.135%0.35136%0.363SS..PPolyproline II helixtrans-83.6156.2179.1-51.4-54.8000112.2R8 E398 L406R8-F400 HydrophobicContact CG-CD1 4.47Å; E398-F400 HydrophobicContact CB-CD1 4.42Å; E398-F400 HydrophobicContact CB-CE1 4.01Å; F400-L406 HydrophobicContact CE1-CD1 4.48Å; F400-L406 HydrophobicContact CE2-CD2 4.36Å; F400-L406 HydrophobicContact CZ-CD1 4.2Å; F400-L406 HydrophobicContact CZ-CD2 4.12Å
401H67.3Low70Confident8 Ų869 Ų694%0.03739%0.392CS..PPolyproline II helixtrans-71.8153.4166.1-60.7-60.3000110.5N350 G358 V359 E403 E404N350-H401 PolarHBondContact ND2-CD2 2.67Å; N350-H401 PolarHBondContact ND2-NE2 3.12Å; G358-H401 WeakPolarHBondContact CA-ND1 3.39Å; G358-H401 PolarHBondContact O-ND1 3.22Å; G358-H401 VanDerWaalsContact O-ND1 3.17Å; V359-H401 PolarHBondContact O-CD2 3.28Å; H401-E403 PolarHBondContact O-N 3.31Å; H401-E404 HydrophobicContact CB-CG 4.32Å; H401-E404 IonicContact CD2-OE1 2.71Å; H401-E404 IonicContact CD2-OE2 2.67Å; H401-E404 PolarHBondContact CD2-OE2 3.19Å; H401-E404 IonicContact CG-OE2 3.22Å; H401-E404 PolarHBondContact N-OE2 2.87Å; H401-E404 PolarHBondContact O-N 3.23Å; H401-E404 VanDerWaalsContact O-N 3.08Å
402N66.4Low68.7Low119 Ų11969.5 Ų69.564%0.63640%0.396SS*.THydrogen-bonded Turntrans-64.3-6.5-171.4-67.7-24.1000115
403E77.4Confident67.6Low27 Ų2765.8 Ų65.813%0.12638%0.383CS..THydrogen-bonded Turntrans-115.49.2-176.9-37.3-178.4106.400112.6S360 R363 H401 T425S360-E403 WeakPolarHBondContact CB-OE2 3.47Å; S360-E403 PolarHBondContact N-OE2 2.94Å; S360-E403 PolarHBondContact OG-OE2 2.72Å; R363-E403 WeakPolarHBondContact CB-OE2 3.34Å; R363-E403 WeakPolarHBondContact CD-OE2 3.35Å; R363-E403 IonicContact CZ-OE1 3.83Å; R363-E403 IonicContact NE-OE1 2.9Å; R363-E403 PolarHBondContact NE-OE1 2.94Å; R363-E403 IonicContact NE-OE2 2.69Å; R363-E403 PolarHBondContact NE-OE2 3.24Å; R363-E403 IonicContact NH2-OE1 2.65Å; R363-E403 PolarHBondContact NH2-OE1 3.13Å; H401-E403 PolarHBondContact O-N 3.31Å; E403-T425 HydrophobicContact CB-CG2 4.49Å
404E82.9Confident66.8Low16 Ų1670 Ų708%0.07540%0.396CS..  trans-107.7129-173.2-77.8169.2178.900111.9R8 V9 S360 S361 H401R8-E404 VanDerWaalsContact CD-OE2 3.31Å; R8-E404 WeakPolarHBondContact CD-OE2 3.22Å; R8-E404 HydrophobicContact CG-CB 3.87Å; R8-E404 HydrophobicContact CG-CG 4.21Å; R8-E404 IonicContact CZ-OE2 2.66Å; R8-E404 IonicContact NE-OE2 3.88Å; R8-E404 IonicContact NH1-OE1 2.96Å; R8-E404 PolarHBondContact NH1-OE1 2.83Å; R8-E404 IonicContact NH1-OE2 3.47Å; R8-E404 PolarHBondContact NH1-OE2 2.74Å; V9-E404 WeakPolarHBondContact O-CA 3.2Å; S360-E404 WeakPolarHBondContact CA-OE1 3.38Å; S360-E404 WeakPolarHBondContact CB-OE1 3.36Å; S361-E404 PolarHBondContact N-OE1 2.9Å; H401-E404 HydrophobicContact CB-CG 4.32Å; H401-E404 IonicContact CD2-OE1 2.71Å; H401-E404 IonicContact CD2-OE2 2.67Å; H401-E404 PolarHBondContact CD2-OE2 3.19Å; H401-E404 IonicContact CG-OE2 3.22Å; H401-E404 PolarHBondContact N-OE2 2.87Å; H401-E404 PolarHBondContact O-N 3.23Å; H401-E404 VanDerWaalsContact O-N 3.08Å
405V85.2Confident66.1Low49 Ų4969.9 Ų69.930%0.29738%0.383SS..EExtended strand (participates in β ladder)trans-106.7127.4-179.2-176.80000109.2V9 L407 I420V9-V405 PolarHBondContact N-O 2.9Å; V9-V405 PolarHBondContact O-N 2.76Å; V405-L407 HydrophobicContact CG1-CD2 3.86Å; V405-L407 HydrophobicContact CG1-CG 4.39Å; V405-I420 HydrophobicContact CG1-CD1 4.22Å
406L86.1Confident65.6Low79 Ų7972.1 Ų72.141%0.41439%0.387SS..EExtended strand (participates in β ladder)trans-84.7117.2173-170.671.1000109.8L6 L391 F400L6-L406 HydrophobicContact CD1-CD1 3.85Å; L6-L406 HydrophobicContact CD1-CD2 4.2Å; L6-L406 HydrophobicContact CD1-CG 3.92Å; L6-L406 HydrophobicContact CD2-CD1 4.4Å; L6-L406 HydrophobicContact CG-CD1 3.99Å; L391-L406 HydrophobicContact CD1-CD1 3.7Å; F400-L406 HydrophobicContact CE1-CD1 4.48Å; F400-L406 HydrophobicContact CE2-CD2 4.36Å; F400-L406 HydrophobicContact CZ-CD1 4.2Å; F400-L406 HydrophobicContact CZ-CD2 4.12Å
407L85.7Confident65.7Low13 Ų1371.4 Ų71.47%0.06838%0.38CS..EExtended strand (participates in β ladder)trans-109.2134.4176.2-59.5-179.8000110.6M7 V9 V29 F119 V405 I420M7-L407 HydrophobicContact CG-CB 3.77Å; M7-L407 PolarHBondContact N-O 3.23Å; M7-L407 PolarHBondContact O-N 3.07Å; M7-L407 HydrophobicContact SD-CB 4.38Å; V9-L407 HydrophobicContact CG2-CD1 3.81Å; V9-L407 HydrophobicContact CG2-CG 4.28Å; V29-L407 HydrophobicContact CG2-CD1 4.04Å; V29-L407 HydrophobicContact CG2-CD2 4.29Å; F119-L407 HydrophobicContact CE1-CD1 4.17Å; F119-L407 HydrophobicContact CZ-CD1 4.03Å; V405-L407 HydrophobicContact CG1-CD2 3.86Å; V405-L407 HydrophobicContact CG1-CG 4.39Å; L407-I420 HydrophobicContact CD2-CD1 4.32Å
408D84.1Confident65.5Low20 Ų2064.2 Ų64.211%0.10735%0.354CS..EExtended strand (participates in β ladder)trans-129.6104.6176.9-178.2-35.1000109.2L6 A410 K411 V412L6-D408 HydrophobicContact CD1-CB 3.87Å; D408-A410 PolarHBondContact O-N 3.26Å; D408-A410 PolarHBondContact OD1-N 3.2Å; D408-K411 HydrophobicContact CB-CB 4.19Å; D408-K411 HydrophobicContact CB-CG 4.35Å; D408-K411 PolarHBondContact O-N 3.5Å; D408-K411 VanDerWaalsContact O-N 3.08Å; D408-K411 PolarHBondContact OD1-N 3.04Å; D408-K411 IonicContact OD2-NZ 2.88Å; D408-K411 PolarHBondContact OD2-NZ 2.84Å; D408-V412 WeakPolarHBondContact O-CG2 3.28Å; D408-V412 PolarHBondContact O-N 3.3Å
409L81.9Confident65Low10 Ų1063.1 Ų63.15%0.05236%0.356CS..THydrogen-bonded Turntrans-70.90-173.4-58.7-175000114.6L5 M7 V29 S115 A117 L198L5-L409 PolarHBondContact O-N 2.8Å; M7-L409 HydrophobicContact CE-CD1 3.77Å; M7-L409 HydrophobicContact CE-CG 3.94Å; V29-L409 HydrophobicContact CG1-CD2 4.02Å; S115-L409 PolarHBondContact N-O 3.08Å; A117-L409 HydrophobicContact CB-CD2 3.86Å; L198-L409 HydrophobicContact CB-CD1 3.96Å
410A75.9Confident64.6Low39 Ų3960.7 Ų60.732%0.32234%0.34SS..THydrogen-bonded Turntrans-104.6-14.6170.300000113.8P4 S112 D408P4-A410 HydrophobicContact CB-CB 3.66Å; S112-A410 PolarHBondContact OG-O 2.72Å; D408-A410 PolarHBondContact O-N 3.26Å; D408-A410 PolarHBondContact OD1-N 3.2Å
411K67.6Low63.6Low144 Ų14459.5 Ų59.563%0.62634%0.341SS*.THydrogen-bonded Turntrans-99-27.8177.7-66.8-167.5-174.484.40114.4D408 S413 Q414D408-K411 HydrophobicContact CB-CB 4.19Å; D408-K411 HydrophobicContact CB-CG 4.35Å; D408-K411 PolarHBondContact O-N 3.5Å; D408-K411 VanDerWaalsContact O-N 3.08Å; D408-K411 PolarHBondContact OD1-N 3.04Å; D408-K411 IonicContact OD2-NZ 2.88Å; D408-K411 PolarHBondContact OD2-NZ 2.84Å; K411-S413 PolarHBondContact O-N 3.38Å; K411-Q414 PolarHBondContact O-N 3.34Å
412V60.4Low62.4Low31 Ų3163.8 Ų63.819%0.18836%0.357CS..G310 helixtrans-63.7-12.4-175.8173.90000113.5V29 S115 D408 Q414 C415V29-V412 HydrophobicContact CB-CG1 4.32Å; V29-V412 HydrophobicContact CG1-CB 4.26Å; V29-V412 HydrophobicContact CG1-CG1 3.7Å; V29-V412 HydrophobicContact CG1-CG2 4.45Å; S115-V412 WeakPolarHBondContact OG-CB 3.42Å; D408-V412 WeakPolarHBondContact O-CG2 3.28Å; D408-V412 PolarHBondContact O-N 3.3Å; V412-Q414 PolarHBondContact O-N 3.08Å; V412-C415 PolarHBondContact O-N 3.06Å; V412-C415 VanDerWaalsContact O-N 3.16Å
413S51.3Low61.1Low33 Ų3361.6 Ų61.623%0.23136%0.356CS..G310 helixtrans-43.4-22.6168-171.80000116.8S112 R113 S115 K411S112-S413 VanDerWaalsContact OG-CB 3.31Å; S112-S413 WeakPolarHBondContact OG-CB 3.25Å; R113-S413 PolarHBondContact N-OG 2.66Å; R113-S413 WeakPolarHBondContact O-CB 3.38Å; R113-S413 PolarHBondContact O-OG 3.44Å; S115-S413 PolarHBondContact OG-N 3.06Å; K411-S413 PolarHBondContact O-N 3.38Å
414Q43.1Very low59.1Low175 Ų17566.8 Ų66.882%0.81838%0.384SS*.G310 helixtrans-101.2-1.8-171.4-59.6-173.42.700114K411 V412K411-Q414 PolarHBondContact O-N 3.34Å; V412-Q414 PolarHBondContact O-N 3.08Å
415C39.8Very low56.8Low77 Ų7769.1 Ų69.152%0.5240%0.4SS..SBendtrans-114.5154.1-177.8-68.40000112.2V412V412-C415 PolarHBondContact O-N 3.06Å; V412-C415 VanDerWaalsContact O-N 3.16Å
416P42.6Very low54.3Low102 Ų10270.3 Ų70.366%0.66241%0.409SS*.  trans-62.3156.3168.328.4-35.2000111.5T418P416-T418 PolarHBondContact O-N 3.37Å; P416-T418 PolarHBondContact O-OG1 3.43Å
417P48.7Very low51.4Low87 Ų8774.6 Ų74.657%0.56543%0.431SS*.  trans-56.8127.6-17824.6-35000110.8E30E30-P417 HydrophobicContact CG-CB 3.93Å
418T47.5Very low48.9Very low65 Ų6581.5 Ų81.540%0.39947%0.467SS..EExtended strand (participates in β ladder)trans-119.1110.8-173.3-57.20000109.5V29 P416 I420V29-T418 PolarHBondContact N-O 3.21Å; V29-T418 PolarHBondContact O-N 3.44Å; P416-T418 PolarHBondContact O-N 3.37Å; P416-T418 PolarHBondContact O-OG1 3.43Å; T418-I420 HydrophobicContact CG2-CG1 3.93Å
419S46Very low46.3Very low67 Ų6789.9 Ų89.947%0.46951%0.506SS..EExtended strand (participates in β ladder)trans-79134.9158.8164.40000108.5E26 S421E26-S419 PolarHBondContact OE1-OG 2.7Å; S419-S421 WeakPolarHBondContact OG-CB 3.14Å; S419-S421 PolarHBondContact OG-N 2.9Å
420I50.4Low43.8Very low33 Ų3398.1 Ų98.117%0.16954%0.544CS..  trans-113.643.6172.9-43.3-178.5000108.1V27 V405 L407 T418 R422V27-I420 HydrophobicContact CB-CB 4.3Å; V27-I420 HydrophobicContact CG1-CB 4.47Å; V27-I420 PolarHBondContact O-N 3.11Å; V405-I420 HydrophobicContact CG1-CD1 4.22Å; L407-I420 HydrophobicContact CD2-CD1 4.32Å; T418-I420 HydrophobicContact CG2-CG1 3.93Å; I420-R422 HydrophobicContact CG2-CG 4.14Å; I420-R422 PolarHBondContact O-N 2.83Å
421S45.2Very low41.7Very low55 Ų55100.8 Ų100.839%0.38556%0.558SS.*  trans-63.198166.5-156.20000109.6E26 S419E26-S421 VanDerWaalsContact OE2-CB 3.23Å; E26-S421 WeakPolarHBondContact OE2-CB 3.24Å; E26-S421 PolarHBondContact OE2-OG 2.74Å; S419-S421 WeakPolarHBondContact OG-CB 3.14Å; S419-S421 PolarHBondContact OG-N 2.9Å
422R41.4Very low40Very low98 Ų98100.1 Ų100.137%0.3757%0.568SS.*  trans-137.596.5-175.1-73.9-175.7174.2-159.3-9.3110.7I420 D424 P426I420-R422 HydrophobicContact CG2-CG 4.14Å; I420-R422 PolarHBondContact O-N 2.83Å; R422-D424 VanDerWaalsContact C-N 3.3Å; R422-P426 PolarHBondContact NH1-O 2.81Å
423A39.7Very low38.7Very low73 Ų73105.8 Ų105.860%0.60360%0.597SS**SBendtrans-72.1-26.7168.200000112.3
424D35.1Very low37.9Very low136 Ų136113.3 Ų113.373%0.72763%0.629SS**SBendtrans-126.9146.4168.3-78.8-66.7000108.8R422 P426R422-D424 VanDerWaalsContact C-N 3.3Å; D424-P426 VanDerWaalsContact O-CD 3.32Å; D424-P426 WeakPolarHBondContact O-CD 3.32Å
425T34.8Very low37.3Very low65 Ų65112.3 Ų112.340%0.39963%0.629SS.*PPolyproline II helixtrans-93121.7-176.5-620000112.4E403E403-T425 HydrophobicContact CB-CG2 4.49Å
426P32.5Very low36.8Very low75 Ų75114.7 Ų114.749%0.48765%0.647SS.*PPolyproline II helixtrans-102.2155.6164.1-5.727.3000113.3R422 D424R422-P426 PolarHBondContact NH1-O 2.81Å; D424-P426 VanDerWaalsContact O-CD 3.32Å; D424-P426 WeakPolarHBondContact O-CD 3.32Å
427L26.8Very low36.2Very low168 Ų168116.6 Ų116.688%0.8866%0.657SS**PPolyproline II helixtrans-52.7153.5-170.3-60.8168000115.7
428L31.4Very low35.2Very low159 Ų159118.1 Ų118.183%0.83267%0.669SS**PPolyproline II helixtrans-67.4145.9163.6-74.1168000111Q430L428-Q430 PolarHBondContact O-N 2.92Å
429Q30.1Very low34.4Very low196 Ų196118.9 Ų118.992%0.91668%0.682SS**PPolyproline II helixtrans-68.5126.4160.1-70.5174.4-44.800108.8
430Q30.7Very low33.4Very low182 Ų182122.6 Ų122.685%0.8569%0.694SS**PPolyproline II helixtrans-75.2151164.2-73.9-178.7-27.600109.7L428L428-Q430 PolarHBondContact O-N 2.92Å
431P30Very low32.3Very low96 Ų96127 Ų12762%0.62373%0.728SS**PPolyproline II helixtrans-63.9158.4169.730.3-35.7000110.9D433P431-D433 PolarHBondContact O-N 2.76Å
432P32.9Very low31.5Very low129 Ų129131.7 Ų131.784%0.83874%0.744SS**  trans-77.9100.5178.731.4-33.4000111.2
433D32.5Very low30.8Very low150 Ų150134.3 Ų134.380%0.80276%0.764SS**  trans-101.5145.1162.7-72.9-51.6000109.8P431P431-D433 PolarHBondContact O-N 2.76Å
434E35.3Very low30.1Very low192 Ų192138.8 Ų138.890%0.89778%0.777SS**  trans-85.6156.9-165.4-62.1-170.8139.300115.5
435D29.7Very low29.8Very low153 Ų153137.4 Ų137.482%0.81878%0.776SS**  trans10.4110165.6-79.2-17000119.7
436S30.1Very low29.4Very low128 Ų128139.3 Ų139.390%0.89580%0.798SS**  trans-155123.9139.9-84.50000112.1
437T28.6Very low29Very low141 Ų141143.3 Ų143.387%0.86581%0.814SS**  trans-87.9125.6-172.654.30000113.5
438S28.5Very low28.9Very low119 Ų119143.6 Ų143.683%0.83281%0.811SS**  trans-154.9124.1146.9-165.60000114
439A30.2Very low28.7Very low81 Ų81147.5 Ų147.567%0.66982%0.815SS**  trans-57.8162.515700000112.2
440M26.3Very low28.4Very low145 Ų145148.5 Ų148.571%0.71481%0.81SS**  cis-155.7153.9-10.2-83.9-138.782.400109.2E442M440-E442 HydrophobicContact CE-CG 3.92Å
441S26Very low28.3Very low127 Ų127147.6 Ų147.689%0.88881%0.811SS**  -169.2143.9128.5-87.40000111.6
442E29.4Very low28.1Very low152 Ų152146.2 Ų146.271%0.7181%0.814SS**  trans-108.2158.9-172-72.6-172.6134.300113.5M440M440-E442 HydrophobicContact CE-CG 3.92Å
443L26.4Very low27.6Very low153 Ų153148.4 Ų148.480%0.80182%0.818SS**  trans58.8112.9151.2-67.6159.9000119.1
444L25.9Very low27.3Very low167 Ų167147.4 Ų147.487%0.87482%0.823SS**  trans-117.5149146.6-73.7176.5000109.9
445P28.3Very low26.7Very low108 Ų108141.9 Ų141.970%0.70182%0.817SS**  trans-89.7146.3-162.2-6.726.7000113.7
446A26.1Very low26.6Very low104 Ų104140 Ų14086%0.8682%0.817SS**  trans-67.213516100000110.2
447L24.8Very low26.4Very low159 Ų159141.7 Ų141.783%0.83282%0.816SS**  trans-118.9100178-81.3170.3000111
448E24.6Very low26.2Very low174 Ų174139.4 Ų139.481%0.81381%0.805SS**  trans-58142.8162.5-60.8-170.8141.800110.3
449R26.2Very low26Very low242 Ų242142.1 Ų142.191%0.91380%0.802SS**  trans-118.490.7-177.6-159.4178.9-68.7141.3-3.8111.1
450R24.8Very low25.9Very low217 Ų217149.7 Ų149.782%0.81982%0.815SS**  trans-87.7170.1166.5-78.1-174.4177.7160.44.6111.7
451D28.7Very low25.7Very low162 Ų162149.9 Ų149.987%0.86681%0.814SS**  trans-81.2159.5-161.1-47.8-92.5000115.7
452G24.1Very low25.7Very low67 Ų67152.3 Ų152.369%0.69181%0.814SS**  trans114.1101.8133.300000119.7
453L24.3Very low25.5Very low176 Ų176149.5 Ų149.592%0.92181%0.807SS**  trans69.3122.6140-56174.9000121.7
454S24.5Very low25.6Very low128 Ų128150.8 Ų150.890%0.89581%0.814SS**  trans64.3106.7136.2-173.80000120.5
455G24.1Very low25.8Very low76 Ų76148.1 Ų148.178%0.78481%0.809SS**  trans-172.299.4167.100000116.3
456S26.8Very low26Very low115 Ų115149.2 Ų149.280%0.80481%0.809SS**  trans-6.9126.1161.2-510000122.2
457N25Very low26.3Very low163 Ų163149.3 Ų149.387%0.87280%0.8SS**  trans56.5145.5136.6-71.7-4000124.2
458S26.3Very low26.8Very low92 Ų92150.8 Ų150.864%0.64380%0.801SS**  trans96.498.3138.1168.10000120.5
459F24.2Very low27.1Very low176 Ų176147.3 Ų147.377%0.77280%0.796SS**  trans61.3144.4151.7-56.2-63.5000117.5
460Y27.2Very low27.4Very low240 Ų240144.1 Ų144.194%0.94180%0.795SS**  cis-119178.633.6-74.3-95.3000115.4
461H21.6Very low27.7Very low150 Ų150138.6 Ų138.669%0.69479%0.79SS**  trans-133125.1-165.9161.1-78.6000110.6T463H461-T463 WeakPolarHBondContact CE1-CG2 3.39Å
462M25.8Very low27.8Very low178 Ų178136.9 Ų136.988%0.87779%0.788SS**  trans-127.4136166.8-87.9-114.760.800109.1
463T26.2Very low28.1Very low92 Ų92141.7 Ų141.756%0.56480%0.797SS**  trans-91.1134.8-169.648.30000112.6H461H461-T463 WeakPolarHBondContact CE1-CG2 3.39Å
464L28.3Very low28.3Very low181 Ų181138.9 Ų138.995%0.94879%0.79SS**  trans-104.6131154.5-81.3165.2000108.5
465S30.3Very low28.4Very low110 Ų110137 Ų13777%0.76978%0.778SS**  trans-90.6124.8-179.6-55.40000110.4
466D31.6Very low28.7Very low131 Ų131140.4 Ų140.470%0.70178%0.778SS**  trans-84.1120.5173.8-174-20.4000110.3F468D466-F468 PolarHBondContact OD1-N 3.32Å; D466-F468 VanDerWaalsContact OD1-N 3.09Å
467P33Very low28.8Very low106 Ų106139.7 Ų139.769%0.68877%0.773SS**SBendtrans-86.15.4-175.134.2-34.8000115.5
468F35.7Very low29Very low191 Ų191137.9 Ų137.984%0.83877%0.768SS**  trans-127.660.4-177.9-71.7-71.4000115.4D466D466-F468 PolarHBondContact OD1-N 3.32Å; D466-F468 VanDerWaalsContact OD1-N 3.09Å
469S30.6Very low29.2Very low101 Ų101141 Ų14171%0.70677%0.774SS**  trans-113.5112.6166.9-173.90000111.8
470L32.1Very low29.4Very low174 Ų174139.5 Ų139.591%0.91177%0.774SS**  trans-94108.2171.6-76.6174.2000110.4
471S30.6Very low29.4Very low101 Ų101132.8 Ų132.871%0.70676%0.762SS**  trans-72129.3-179-51.70000113.2
472P32.1Very low30.2Very low126 Ų126131.1 Ų131.182%0.81877%0.765SS**  trans-79.8142.7160.132.9-31.8000110.5
473L30.4Very low30.3Very low169 Ų169126.8 Ų126.889%0.88575%0.752SS**  trans-123.9137.6174.9-86.7171.1000113.4
474C27.2Very low30.5Very low116 Ų116130.5 Ų130.578%0.78476%0.763SS**  trans-55.6169.9171.3-62.30000114.2
475S27.9Very low30.6Very low90 Ų90126.3 Ų126.363%0.62975%0.748SS**  cis-178.4163.2-17.852.40000109
476N29.3Very low30.5Very low146 Ų146126.1 Ų126.178%0.78175%0.747SS**  159.5158128.5-79.5-10.2000115.4
477S30.5Very low30.4Very low101 Ų101127.5 Ų127.571%0.70675%0.754SS**  trans-14.7156.8164.257.50000120.3
478T28.8Very low30.2Very low125 Ų125126.8 Ų126.877%0.76776%0.757SS**  cis-161.9-178.740.2-27.40000112.2
479M30.3Very low30Very low156 Ų156123.9 Ų123.977%0.76875%0.75SS**  trans-17.9146.8170-50.9-105.275.200116.7
480D27.6Very low30Very low145 Ų145128.2 Ų128.278%0.77575%0.751SS**  -164.2-176.152.4-137.7-34000115.1
481S27.3Very low30Very low99 Ų99126 Ų12669%0.69275%0.745SS**  trans-106.3169.6176.3-62.90000111.4
482P38.4Very low30.1Very low116 Ų116126.8 Ų126.875%0.75375%0.745SS**  cis-154.4175.836.945.9-23.9000120.6
483S28.6Very low30.1Very low86 Ų86126.6 Ų126.660%0.60175%0.747SS**  trans27.7159.4147.363.40000125.9
484H30.1Very low30Very low170 Ų170122 Ų12279%0.78774%0.74SS**  trans86157.9165.9-56.2-72.8000118.7
485S29.6Very low30.3Very low93 Ų93126 Ų12665%0.6575%0.745SS**  -176132.9-65.347.50000110.9
486S29.5Very low30.3Very low107 Ų107128.6 Ų128.675%0.74876%0.757SS**  trans69.2148.3154.278.20000122.7
487L29.4Very low30.4Very low159 Ų159126.7 Ų126.783%0.83276%0.755SS**  trans65.794.8147-70.3162.2000122.8
488A29.5Very low30.5Very low91 Ų91129.5 Ų129.575%0.75276%0.76SS**  64.4126.910500000124.3
489D29.5Very low30.6Very low130 Ų130133.1 Ų133.170%0.69577%0.765SS**  trans105.3144.5130.5-14616.3000121.8
490R32.4Very low30.7Very low192 Ų192136.4 Ų136.473%0.72577%0.769SS**  trans7299.2150.9-91.2163.7-148.4-105.8-6.7125.2
491T31.6Very low30.7Very low127 Ų127136.6 Ų136.678%0.77978%0.776SS**  69.3169.7123.455.70000118.1
492V32.6Very low30.9Very low118 Ų118138.7 Ų138.772%0.71578%0.778SS**  cis-153.8144.132.41750000113.6
493S31.4Very low30.5Very low122 Ų122140.8 Ų140.885%0.85378%0.783SS**  trans70.6160158.972.20000118.6
494G27.8Very low30.4Very low73 Ų73140.2 Ų140.275%0.75379%0.791SS**  cis-130.7-175.712.200000117.5
495K33.5Very low30.5Very low201 Ų201137.9 Ų137.987%0.87479%0.794SS**  trans-132.3154.5-166.4-59.1173.6179.6173.40111.9
496T29.3Very low31.6Very low144 Ų144139.1 Ų139.188%0.88380%0.8SS**  trans-144.6153.6140.412.50000110.3
497S30.5Very low31.7Very low106 Ų106139.9 Ų139.974%0.74181%0.805SS**  trans-164.5155.9179.6-53.20000108.9
498I32.9Very low31.9Very low159 Ų159138.4 Ų138.482%0.81581%0.808SS**  trans-159.2121.8149.2-110.6151.8000114.1
499K31.8Very low31.8Very low201 Ų201137.2 Ų137.287%0.87481%0.805SS**  trans57.7155.6148.7-66.3-174.5175.1179.40123.9
500R30.8Very low31.9Very low226 Ų226138.8 Ų138.885%0.85381%0.812SS**  trans-113.1170.1174.8-51.3164.6173.8153.9-6.7109.6
501T27.3Very low31.8Very low148 Ų148136.6 Ų136.691%0.90881%0.814SS**  trans-133.7171.3142.531.80000110.2
502L32.8Very low31.8Very low144 Ų144136.5 Ų136.575%0.75481%0.814SS**  trans-156.2157-163-150.7160.3000109.8
503N30.2Very low31.9Very low159 Ų159140.4 Ų140.485%0.8582%0.821SS**  trans121.8143.9171.3-63.8-15.2000111.6
504G26.2Very low31.8Very low74 Ų74144.9 Ų144.976%0.76383%0.825SS**  cis-174.9168.4-4.800000112.2
505S31.3Very low32Very low121 Ų121145.9 Ų145.985%0.84683%0.826SS**  trans-116.1-168.5-179-39.50000110.2
506P54.2Low31.9Very low120 Ų120146 Ų14678%0.77983%0.827SS**  cis-138.4-172.5-8.343.1-25.3000115.3
507S30.3Very low31.9Very low122 Ų122150.3 Ų150.385%0.85383%0.826SS**  trans-146.4172.4148.869.50000110.8
508S34.1Very low32Very low128 Ų128155.7 Ų155.790%0.89583%0.831SS**  trans-153161.5-150.555.10000118
509G28.1Very low32Very low67 Ų67154.9 Ų154.969%0.69183%0.833SS**  trans143.5116.6177.300000109.7
510L31Very low32Very low163 Ų163151.7 Ų151.785%0.85383%0.826SS**  cis65.8127.332.4-135.285.2000111.8
511L31Very low32Very low146 Ų146151.8 Ų151.876%0.76483%0.826SS**  cis-110.4-164.47-69.1151.4000110.3
512T31.3Very low32.8Very low125 Ų125150.4 Ų150.477%0.76782%0.819SS**  cis-154.6-178.29.7-300000110.4
513K33.5Very low33.4Very low199 Ų199148.4 Ų148.487%0.86582%0.815SS**  trans-128.8155.6165.1-65.6174.6179.51740110.6
514K28.9Very low33.5Very low217 Ų217149.1 Ų149.194%0.94382%0.818SS**  trans-151.1147.9153.7-111.8172.5-175175.60111.1
515A33Very low33.8Very low93 Ų93151 Ų15177%0.76982%0.815SS**  trans-158.4176.5-175.700000110.9
516K31.3Very low33.8Very low205 Ų205154.2 Ų154.289%0.89182%0.816SS**  trans75.6152.2-166.5-63.4179.4175.5175.80112.4
517R30.3Very low32.6Very low233 Ų233155.9 Ų155.988%0.87981%0.813SS**  cis-147.2155.125.7-149.7174.5-167.91661.2112.7
518R31.4Very low32.6Very low220 Ų220155.9 Ų155.983%0.8380%0.804SS**  trans-85.1154.8162.8-82.5-173.9176.3177.6-2.4110.8
519T33.5Very low32.4Very low142 Ų142154.3 Ų154.387%0.87179%0.789SS**  trans-150.4148.2155.738.50000109
520D31.8Very low32.6Very low134 Ų134157.9 Ų157.972%0.71779%0.788SS**  trans-123146.6-169.7-80-76.5000113.5
521R31.3Very low32.7Very low228 Ų228159.5 Ų159.586%0.8679%0.791SS**  trans64.5170.6157.7-86.1-170.7170.9-155.4-3.2118.1
522P42.9Very low32.7Very low118 Ų118159.6 Ų159.677%0.76679%0.785SS**  cis-120.8173.34.139.2-24.2000115.9
523P45.7Very low32.7Very low103 Ų103163.2 Ų163.267%0.66979%0.793SS**  trans-90.3168.217337.3-35.6000113.5
524L31.8Very low32.5Very low173 Ų173162.5 Ų162.591%0.90679%0.79SS**  trans-115.3150.8173.6-105165.5000111.7
525V32.6Very low32.5Very low114 Ų114161.6 Ų161.669%0.69179%0.789SS**  trans-142.4132.8-174.6172.70000111
526Q31.5Very low32.4Very low189 Ų189162.1 Ų162.188%0.88379%0.787SS**  trans-159.8126.5160.8-102.2162.62.300104.2
527H30Very low32.2Very low155 Ų155159 Ų15972%0.71879%0.785SS**  cis56.2131.948.3-75.8-86.9000112.7
528N30.3Very low32.3Very low121 Ų121153.1 Ų153.165%0.64778%0.78SS**  cis-158.6164.326.5-145.719.9000115.1
529T29.8Very low32.5Very low96 Ų96148.1 Ų148.159%0.58978%0.776SS**  trans54.5116.6150.243.30000120.7
530E31.9Very low32.3Very low142 Ų142149.8 Ų149.866%0.66478%0.777SS**  80145.888.6-73.3-166.1120.200113.4K532E530-K532 IonicContact OE1-NZ 2.62Å; E530-K532 PolarHBondContact OE1-NZ 3.43Å
531E32.1Very low32.2Very low196 Ų196149.6 Ų149.692%0.91678%0.776SS**  cis-124.6-171.740.2-63.8-165.3104.500117.1
532K31.6Very low32.1Very low149 Ų149145.8 Ų145.865%0.64877%0.768SS**  trans-113150-175.1-49.5166.2-178.177.80110.6E530E530-K532 IonicContact OE1-NZ 2.62Å; E530-K532 PolarHBondContact OE1-NZ 3.43Å
533Q30.9Very low31.4Very low200 Ų200149.6 Ų149.694%0.93578%0.775SS**  trans-128.5148.1130.3-78.9-162.9-12.400109.6
534K30.6Very low30.7Very low184 Ų184151.2 Ų151.280%0.877%0.774SS**  trans-112.6142.4173.7-75.3-178.1174-1770108.3
535E29.1Very low30.6Very low199 Ų199150.6 Ų150.693%0.9377%0.771SS**  trans-137.4155.5135.7-120.9174.7-160.700108.7
536S29.3Very low30.6Very low103 Ų103153.8 Ų153.872%0.7278%0.776SS**  trans-154.9124.4-164.558.80000113.3
537V28.5Very low30.4Very low140 Ų140151.7 Ų151.785%0.84877%0.769SS**  trans-135.1112161.8-175.30000110
538S31.9Very low30.3Very low110 Ų110150.1 Ų150.177%0.76977%0.771SS**  trans30.9143.9150.4-54.10000123.4
539P36.4Very low30.1Very low115 Ų115149.7 Ų149.775%0.74777%0.772SS**  trans-96.9162-177.539.4-35.9000114.6
540I28Very low29.9Very low176 Ų176150.3 Ų150.390%0.90378%0.779SS**  trans-124.8132.6153.3-65.4179.5000107.4
541L29.7Very low29.7Very low131 Ų131149.9 Ų149.969%0.68679%0.786SS**  trans-121.9131.3-173.1-15197.2000111.2
542Q29.1Very low29.8Very low147 Ų147149.1 Ų149.169%0.68780%0.8SS**  trans50.9120.6158.2-71.5170.43.600119.5
543Q28.1Very low29.7Very low198 Ų198149.1 Ų149.193%0.92581%0.808SS**  -134.9147.9111.3-112.2179.87.400110.5
544H32.4Very low29.6Very low137 Ų137146.4 Ų146.463%0.63480%0.801SS**  trans-83.5141.8-179.3-81.1-96.9000111.2
545N28.1Very low29.6Very low161 Ų161144.3 Ų144.386%0.86180%0.801SS**  trans-147121.6138.4-105.3-33.1000110.4
546K33Very low29.6Very low181 Ų181141.1 Ų141.179%0.78779%0.794SS**  trans-90.3119.6171.4-71.1178.9178.11770108
547I26.8Very low29.6Very low145 Ų145143.5 Ų143.574%0.74480%0.798SS**  trans-115.896.5163.1-59.2-178000107.5V549I547-V549 HydrophobicContact CG2-CG2 4.02Å; I547-V549 PolarHBondContact O-N 3.05Å
548T29.1Very low29.7Very low122 Ų122143.7 Ų143.775%0.74880%0.795SS**  trans-77.199.5170.3-54.80000107.9C550T548-C550 PolarHBondContact O-N 3.23Å
549V25.2Very low29.6Very low112 Ų112146.1 Ų146.168%0.67980%0.797SS**  trans-75.694.2173.9-175.90000108.9I547 V551I547-V549 HydrophobicContact CG2-CG2 4.02Å; I547-V549 PolarHBondContact O-N 3.05Å; V549-V551 HydrophobicContact CG1-CG2 4.01Å; V549-V551 PolarHBondContact O-N 2.62Å
550C25.2Very low29Very low108 Ų108148.5 Ų148.573%0.7380%0.8SS**  trans-70.8118.1158.5-92.20000108.3T548T548-C550 PolarHBondContact O-N 3.23Å
551V28.2Very low29.1Very low134 Ų134146.3 Ų146.381%0.81279%0.792SS**  trans-93.3116.7164.6-175.70000107.1V549V549-V551 HydrophobicContact CG1-CG2 4.01Å; V549-V551 PolarHBondContact O-N 2.62Å
552C34.5Very low29.1Very low179 Ų179147.6 Ų147.6100%1.20980%0.801SS**  trans-103.80170-63.80000109

Retrieved 552 of 552 residues in 1671.6 ms (Link to these results)

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